#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2af2 s THR 2 N 0.00 -0.55 -0.46 0.00 -4.23 -0.54 -5.01 115.64 104.85 2af2 s THR 2 Ca 0.00 0.04 -0.16 0.00 -1.18 0.00 0.00 61.69 60.39 2af2 s THR 2 Cb 0.00 -0.90 0.05 0.00 1.34 0.00 0.00 72.50 73.00 2af2 s THR 2 CO 0.00 0.02 0.41 -0.75 -0.54 0.00 0.00 174.62 173.75 2af2 s LYS 3 N 2.34 3.01 0.64 3.99 2.20 -0.44 -1.17 119.74 130.30 2af2 s LYS 3 Ca -0.07 -1.17 -0.01 0.00 -0.36 0.00 0.00 55.97 54.37 2af2 s LYS 3 Cb -0.10 -4.08 0.08 0.00 -1.51 0.00 0.00 37.83 32.22 2af2 s LYS 3 CO -0.17 -0.97 0.90 0.00 -0.36 0.00 0.00 175.35 174.74 2af2 s ALA 4 N 1.82 3.72 0.15 3.13 0.00 0.68 -1.49 121.76 129.77 2af2 s ALA 4 Ca 0.06 -1.44 -0.24 0.00 0.00 0.00 0.00 51.96 50.34 2af2 s ALA 4 Cb -0.22 -2.12 0.07 0.00 0.00 0.00 0.00 23.12 20.85 2af2 s ALA 4 CO 0.09 -1.12 0.70 0.54 0.00 0.00 0.00 175.76 175.97 2af2 s VAL 5 N -2.99 0.00 -0.11 0.00 0.11 0.22 -0.57 120.40 117.06 2af2 s VAL 5 Ca 0.61 -0.24 -0.07 0.00 -2.93 0.00 0.00 61.98 59.35 2af2 s VAL 5 Cb -0.08 -1.27 0.04 0.00 -1.53 0.00 0.00 36.38 33.54 2af2 s VAL 5 CO 0.42 0.00 0.28 0.00 -3.33 0.00 0.00 175.10 172.46 2af2 s ALA 6 N -3.64 -0.66 -0.51 1.54 0.00 -0.04 -1.31 121.76 117.15 2af2 s ALA 6 Ca 0.04 0.97 -0.00 0.00 0.00 0.00 0.00 51.96 52.97 2af2 s ALA 6 Cb -0.02 -0.59 0.13 0.00 0.00 0.00 0.00 23.12 22.64 2af2 s ALA 6 CO -0.07 -0.18 0.28 0.14 0.00 0.00 0.00 175.76 175.93 2af2 s VAL 7 N 0.83 3.17 0.12 0.00 -7.23 -1.26 -1.08 120.40 114.94 2af2 s VAL 7 Ca -0.06 -2.71 -0.30 0.00 -1.81 0.00 0.00 61.98 57.11 2af2 s VAL 7 Cb -0.07 -3.15 -0.06 0.00 0.56 0.00 0.00 36.38 33.67 2af2 s VAL 7 CO -0.05 -0.77 0.98 -0.76 -0.31 0.00 0.00 175.10 174.19 2af2 s LEU 8 N 0.35 4.49 0.38 1.32 1.02 0.81 -4.63 118.68 122.43 2af2 s LEU 8 Ca 0.14 1.83 -0.10 0.00 0.02 0.00 0.00 54.13 56.02 2af2 s LEU 8 Cb -0.22 -3.59 0.04 0.00 0.02 0.00 0.00 46.19 42.44 2af2 s LEU 8 CO -0.04 -0.10 0.69 -0.54 0.02 0.00 0.00 176.35 176.39 2af2 s LYS 9 N -0.00 2.18 0.00 1.70 1.02 -0.26 -0.93 119.74 123.45 2af2 s LYS 9 Ca 0.48 -1.60 0.00 0.00 0.02 0.00 0.00 55.97 54.87 2af2 s LYS 9 Cb -0.24 0.57 0.00 0.00 -0.52 0.00 0.00 37.83 37.64 2af2 s LYS 9 CO 0.30 -0.99 0.00 0.41 -0.92 0.00 0.00 175.35 174.16 2af2 n GLY 10 N -0.56 1.50 2.75 -3.33 0.00 -1.26 -1.40 105.19 102.89 2af2 n GLY 10 Ca -0.05 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 4.28 0.00 1.61 9.92 -1.26 -4.92 116.55 126.17 2af2 n ASP 11 Ca 0.00 -2.89 0.00 0.00 -0.53 0.00 0.00 54.79 51.37 2af2 n ASP 11 Cb 0.00 -1.62 0.00 0.00 -0.64 0.00 0.00 41.12 38.86 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 3.79 0.61 0.00 0.44 0.00 -1.26 -0.50 105.19 108.28 2af2 n GLY 12 Ca 0.50 0.78 0.14 0.00 0.00 0.00 0.00 46.02 47.44 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 0.24 -2.63 1.61 -0.04 -1.26 -4.82 135.00 128.10 2af2 n PRO 13 Ca 0.00 -0.01 -0.39 0.00 -0.04 0.00 0.00 63.50 63.06 2af2 n PRO 13 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 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 -2.77 3.84 0.10 0.52 1.01 0.35 -4.48 120.40 118.98 2af2 s VAL 14 Ca 0.22 1.69 -0.18 0.00 0.00 0.00 0.00 61.98 63.71 2af2 s VAL 14 Cb 0.20 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.61 2af2 s VAL 14 CO 0.50 0.28 0.44 0.00 0.00 0.00 0.00 175.10 176.31 2af2 s GLN 15 N -1.72 1.05 -0.19 2.72 0.00 -0.54 -4.53 119.66 116.45 2af2 s GLN 15 Ca 0.47 -0.54 -0.05 0.00 -0.00 0.00 0.00 55.36 55.25 2af2 s GLN 15 Cb -0.25 0.47 0.07 0.00 0.00 0.00 0.00 33.01 33.29 2af2 s GLN 15 CO 0.32 -0.40 0.11 0.20 0.00 0.00 0.00 175.29 175.52 2af2 s GLY 16 N -2.50 0.33 -0.08 2.60 0.00 -0.11 -0.60 107.32 106.97 2af2 s GLY 16 Ca -0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 44.72 44.17 2af2 s GLY 16 CO -0.08 1.82 0.56 -1.50 0.00 0.00 0.00 173.10 173.89 2af2 s ILE 17 N 2.15 5.09 -0.15 0.90 -1.16 -0.82 -0.13 121.20 127.08 2af2 s ILE 17 Ca 0.03 1.13 -0.07 0.00 -0.51 0.00 0.00 60.65 61.24 2af2 s ILE 17 Cb -0.16 -3.89 0.06 0.00 0.61 0.00 0.00 42.46 39.08 2af2 s ILE 17 CO -0.13 0.34 0.34 0.27 -2.81 0.00 0.00 174.94 172.95 2af2 s ILE 18 N 0.43 -0.20 0.83 2.00 -5.25 -0.24 -0.76 121.20 118.02 2af2 s ILE 18 Ca 0.30 0.15 -0.12 0.00 -0.99 0.00 0.00 60.65 60.00 2af2 s ILE 18 Cb -0.16 -0.53 0.09 0.00 2.95 0.00 0.00 42.46 44.81 2af2 s ILE 18 CO 0.14 0.06 1.11 0.20 -1.79 0.00 0.00 174.94 174.66 2af2 s ASN 19 N 1.74 4.17 -0.33 4.36 0.01 -0.66 -0.86 114.94 123.37 2af2 s ASN 19 Ca -0.06 1.21 -0.01 0.00 -0.71 0.00 0.00 52.86 53.29 2af2 s ASN 19 Cb -0.10 -1.90 0.13 0.00 0.41 0.00 0.00 41.25 39.79 2af2 s ASN 19 CO -0.11 -2.16 0.22 -0.36 -1.51 0.00 0.00 177.10 173.18 2af2 s PHE 20 N -3.18 0.40 -0.22 2.20 0.08 0.26 -3.54 117.98 113.98 2af2 s PHE 20 Ca 0.62 -1.23 -0.18 0.00 0.12 0.00 0.00 56.93 56.26 2af2 s PHE 20 Cb -0.15 -0.81 -0.03 0.00 -0.57 0.00 0.00 43.02 41.46 2af2 s PHE 20 CO 0.54 -0.85 0.49 -2.00 -0.10 0.00 0.00 175.22 173.30 2af2 s GLU 21 N 1.47 4.14 -0.08 0.44 -6.30 -0.11 -0.23 118.70 118.03 2af2 s GLU 21 Ca 0.15 0.33 0.05 0.00 -2.50 0.00 0.00 54.97 53.00 2af2 s GLU 21 Cb -0.20 -3.59 -0.00 0.00 0.00 0.00 0.00 34.13 30.34 2af2 s GLU 21 CO -0.11 -0.20 -0.24 -1.14 0.02 0.00 0.00 175.26 173.58 2af2 s GLN 22 N 1.80 2.84 0.05 4.30 0.74 -0.32 -0.91 119.66 128.16 2af2 s GLN 22 Ca 0.22 -0.89 -0.16 0.00 0.05 0.00 0.00 55.36 54.57 2af2 s GLN 22 Cb -0.15 -2.24 -0.21 0.00 1.10 0.00 0.00 33.01 31.50 2af2 s GLN 22 CO 0.09 0.27 1.18 1.57 -0.55 0.00 0.00 175.29 177.85 2af2 h LYS 23 N 6.44 0.59 0.00 1.67 -0.00 -1.87 0.34 116.57 123.74 2af2 h LYS 23 Ca -0.24 -0.58 0.00 0.00 -0.00 0.00 0.00 60.65 59.82 2af2 h LYS 23 Cb 1.21 0.15 0.00 0.00 -0.00 0.00 0.00 32.23 33.60 2af2 h LYS 23 CO 0.47 1.20 0.00 -0.85 -0.00 0.00 0.00 179.45 180.27 2af2 n GLU 24 N -4.05 0.00 0.00 0.07 -0.00 -1.26 -0.75 120.64 114.65 2af2 n GLU 24 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.06 2af2 n GLU 24 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.19 2af2 n GLU 24 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2af2 n SER 25 N 0.00 0.00 0.00 -1.84 7.64 -1.26 -0.46 113.62 117.69 2af2 n SER 25 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2af2 n SER 25 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2af2 n SER 25 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2af2 n ASN 26 N -0.27 3.42 -3.09 6.43 6.94 -1.26 -2.14 115.26 125.29 2af2 n ASN 26 Ca 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 54.58 54.46 2af2 n ASN 26 Cb 0.00 0.88 0.00 0.00 -2.36 0.00 0.00 39.78 38.30 2af2 n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2af2 n GLY 27 N 1.90 0.46 3.90 4.83 0.00 -1.26 -4.73 105.19 110.28 2af2 n GLY 27 Ca 0.00 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 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 0.00 3.65 -0.05 1.61 0.04 -1.26 -4.45 135.00 134.54 2af2 s PRO 28 Ca 0.00 0.23 0.04 0.00 0.04 0.00 0.00 61.00 61.31 2af2 s PRO 28 Cb 0.00 -2.46 -0.00 0.00 0.04 0.00 0.00 34.50 32.08 2af2 s PRO 28 CO 0.00 -0.02 -0.17 0.08 0.04 0.00 0.00 177.00 176.93 2af2 s VAL 29 N -2.42 1.41 -0.22 -0.36 1.01 0.22 -4.35 120.40 115.69 2af2 s VAL 29 Ca 0.48 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 2af2 s VAL 29 Cb -0.10 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 2af2 s VAL 29 CO 0.36 0.41 0.26 -0.75 0.00 0.00 0.00 175.10 175.37 2af2 s LYS 30 N 0.12 4.14 -0.14 2.72 2.20 -0.09 -1.33 119.74 127.37 2af2 s LYS 30 Ca -0.06 -0.06 0.01 0.00 -0.36 0.00 0.00 55.97 55.50 2af2 s LYS 30 Cb -0.12 -3.52 0.02 0.00 -1.51 0.00 0.00 37.83 32.70 2af2 s LYS 30 CO 0.03 0.06 -0.16 0.08 -0.36 0.00 0.00 175.35 175.00 2af2 s VAL 31 N 1.04 1.65 -0.00 4.02 1.01 0.15 -0.93 120.40 127.34 2af2 s VAL 31 Ca 0.13 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 2af2 s VAL 31 Cb -0.14 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.74 2af2 s VAL 31 CO 0.05 0.47 0.21 -1.66 0.00 0.00 0.00 175.10 174.18 2af2 s TRP 32 N 1.22 -0.05 -5.00 5.22 -2.14 -1.23 -0.88 118.94 116.08 2af2 s TRP 32 Ca -0.00 0.03 0.00 0.00 2.66 0.00 0.00 56.10 58.78 2af2 s TRP 32 Cb -0.14 0.01 0.00 0.00 -3.10 0.00 0.00 33.47 30.25 2af2 s TRP 32 CO -0.07 -0.34 0.00 0.41 -2.66 0.00 0.00 176.95 174.29 2af2 n GLY 33 N 1.32 0.77 3.54 3.67 0.00 -0.63 -1.65 105.19 112.22 2af2 n GLY 33 Ca -0.22 -1.66 -0.15 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.66 -0.38 1.61 1.04 0.06 -1.39 113.70 109.97 2af2 s SER 34 Ca 0.00 1.11 -0.07 0.00 0.48 0.00 0.00 55.95 57.47 2af2 s SER 34 Cb 0.00 1.08 0.07 0.00 0.10 0.00 0.00 66.02 67.27 2af2 s SER 34 CO 0.00 -0.35 0.18 -0.63 0.98 0.00 0.00 173.24 173.42 2af2 s ILE 35 N -0.17 3.86 0.01 -1.02 1.09 0.16 -1.94 121.20 123.19 2af2 s ILE 35 Ca -0.04 -1.40 0.04 0.00 -1.10 0.00 0.00 60.65 58.14 2af2 s ILE 35 Cb -0.03 -3.33 -0.03 0.00 -1.06 0.00 0.00 42.46 38.00 2af2 s ILE 35 CO 0.04 -0.40 -0.07 -0.75 -0.10 0.00 0.00 174.94 173.66 2af2 s LYS 36 N 1.36 2.50 0.00 2.79 2.20 0.23 -0.55 119.74 128.28 2af2 s LYS 36 Ca 0.02 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 54.87 2af2 s LYS 36 Cb -0.22 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 2af2 s LYS 36 CO 0.01 0.59 0.00 0.41 -0.36 0.00 0.00 175.35 176.01 2af2 n GLY 37 N 1.51 2.57 3.61 5.54 0.00 0.05 -1.46 105.19 117.00 2af2 n GLY 37 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 3.63 0.40 0.99 1.02 -1.26 -4.90 118.68 118.56 2af2 s LEU 38 Ca 0.00 1.43 0.18 0.00 0.02 0.00 0.00 54.13 55.77 2af2 s LEU 38 Cb 0.00 -3.53 0.86 0.00 0.02 0.00 0.00 46.19 43.54 2af2 s LEU 38 CO 0.00 -1.57 1.84 0.00 0.02 0.00 0.00 176.35 176.64 2af2 h THR 39 N 6.61 0.96 0.00 5.49 1.03 -1.85 -2.68 112.91 122.47 2af2 h THR 39 Ca -0.34 -1.22 0.00 0.00 -0.01 0.00 0.00 66.41 64.84 2af2 h THR 39 Cb 1.17 1.71 0.00 0.00 -1.07 0.00 0.00 68.15 69.96 2af2 h THR 39 CO 1.02 0.32 0.00 1.21 -0.01 0.00 0.00 175.52 178.05 2af2 n GLU 40 N -3.77 -2.15 0.00 0.00 0.00 -1.26 -3.61 120.64 109.86 2af2 n GLU 40 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 2af2 n GLU 40 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.85 2af2 n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2af2 n GLY 41 N -0.04 -0.55 3.73 8.31 0.00 -1.04 -4.48 105.19 111.12 2af2 n GLY 41 Ca 0.00 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.28 4.40 -0.11 0.99 1.43 -1.26 -0.53 118.68 121.32 2af2 s LEU 42 Ca 0.00 2.31 -0.00 0.00 -1.03 0.00 0.00 54.13 55.40 2af2 s LEU 42 Cb 0.00 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.65 2af2 s LEU 42 CO 0.00 -0.54 -0.08 -1.00 0.23 0.00 0.00 176.35 174.97 2af2 s HIS 43 N 0.51 1.48 0.96 0.29 3.76 0.27 -2.19 115.29 120.38 2af2 s HIS 43 Ca 0.59 -0.74 -0.11 0.00 -0.15 0.00 0.00 55.06 54.65 2af2 s HIS 43 Cb -0.35 -1.23 0.17 0.00 1.11 0.00 0.00 32.58 32.27 2af2 s HIS 43 CO 0.34 -0.51 1.09 0.20 -0.85 0.00 0.00 174.74 175.01 2af2 s GLY 44 N 1.70 1.62 -0.27 -2.22 0.00 0.33 0.13 107.32 108.61 2af2 s GLY 44 Ca 0.05 0.11 -0.03 0.00 0.00 0.00 0.00 44.72 44.86 2af2 s GLY 44 CO -0.08 0.63 0.50 -0.11 0.00 0.00 0.00 173.10 174.05 2af2 s PHE 45 N -2.74 -1.23 0.08 1.90 -0.71 0.13 0.20 117.98 115.61 2af2 s PHE 45 Ca 0.65 1.40 0.09 0.00 -1.04 0.00 0.00 56.93 58.04 2af2 s PHE 45 Cb -0.21 0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 41.92 2af2 s PHE 45 CO 0.59 -0.78 -0.24 -3.38 -1.34 0.00 0.00 175.22 170.07 2af2 s HIS 46 N 2.72 2.09 -0.22 3.49 -3.43 -0.04 -3.80 115.29 116.10 2af2 s HIS 46 Ca 0.14 -0.40 -0.27 0.00 -0.80 0.00 0.00 55.06 53.74 2af2 s HIS 46 Cb -0.15 -1.20 0.00 0.00 -1.43 0.00 0.00 32.58 29.81 2af2 s HIS 46 CO -0.18 0.19 0.94 0.54 -2.00 0.00 0.00 174.74 174.23 2af2 s VAL 47 N -0.94 4.76 -0.32 -5.38 0.11 -1.26 -0.87 120.40 116.50 2af2 s VAL 47 Ca 0.10 1.82 -0.29 0.00 -2.93 0.00 0.00 61.98 60.68 2af2 s VAL 47 Cb -0.10 -4.22 -0.01 0.00 -1.53 0.00 0.00 36.38 30.52 2af2 s VAL 47 CO 0.03 -0.11 1.59 -1.00 -3.33 0.00 0.00 175.10 172.29 2af2 s HIS 48 N 2.90 2.14 -0.10 1.54 3.76 0.13 -4.54 115.29 121.12 2af2 s HIS 48 Ca 0.40 0.63 -0.29 0.00 -0.15 0.00 0.00 55.06 55.65 2af2 s HIS 48 Cb -0.15 -4.12 -0.06 0.00 1.11 0.00 0.00 32.58 29.36 2af2 s HIS 48 CO 0.08 -2.57 1.84 -2.00 -0.85 0.00 0.00 174.74 171.24 2af2 s GLU 49 N 5.03 3.88 0.00 1.40 2.12 -1.26 -3.37 118.70 126.50 2af2 s GLU 49 Ca 0.70 2.15 0.00 0.00 0.36 0.00 0.00 54.97 58.18 2af2 s GLU 49 Cb -0.20 -4.12 0.00 0.00 0.26 0.00 0.00 34.13 30.06 2af2 s GLU 49 CO 0.31 -1.23 0.00 1.19 -0.54 0.00 0.00 175.26 175.00 2af2 n PHE 50 N 8.43 0.00 0.57 5.30 3.01 -1.26 -4.48 117.46 129.03 2af2 n PHE 50 Ca 0.21 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.78 2af2 n PHE 50 Cb 0.43 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.98 2af2 n PHE 50 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2af2 n GLY 51 N 1.80 -1.28 2.39 1.37 0.00 -1.25 -3.95 105.19 104.27 2af2 n GLY 51 Ca 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.01 4.16 0.00 1.61 9.92 -1.26 -3.37 116.55 125.60 2af2 n ASP 52 Ca 0.02 -2.21 0.00 0.00 -0.53 0.00 0.00 54.79 52.07 2af2 n ASP 52 Cb 0.44 -0.99 0.00 0.00 -0.64 0.00 0.00 41.12 39.93 2af2 n ASP 52 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2af2 n ASN 53 N 3.41 0.00 0.00 -2.24 6.94 -1.26 -4.25 115.26 117.86 2af2 n ASN 53 Ca 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.92 2af2 n ASN 53 Cb 0.35 0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.82 2af2 n ASN 53 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2af2 n THR 54 N -1.28 0.00 0.78 5.53 -2.24 -1.22 -4.35 114.28 111.50 2af2 n THR 54 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2af2 n THR 54 Cb 0.00 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 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 0.00 2.71 -0.98 6.98 0.00 -1.26 -4.53 120.51 123.43 2af2 n ALA 55 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2af2 n ALA 55 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 0.13 3.73 0.01 0.00 0.00 -1.26 -2.21 105.19 105.60 2af2 n GLY 56 Ca 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.47 0.00 -1.90 0.00 -1.04 -0.94 -4.89 114.28 104.05 2af2 n THR 58 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2af2 n THR 58 Cb 0.09 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 2af2 n THR 58 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2af2 n SER 59 N -0.91 0.00 -0.23 8.00 2.88 -0.11 -4.97 113.62 118.28 2af2 n SER 59 Ca 0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 2af2 n SER 59 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 2af2 n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2af2 n ALA 60 N -3.00 0.00 -2.47 -1.46 0.00 -1.25 -4.80 120.51 107.53 2af2 n ALA 60 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2af2 n ALA 60 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2af2 n ALA 60 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2af2 s GLY 61 N -2.17 1.74 -1.21 0.00 0.00 -1.26 -5.06 107.32 99.37 2af2 s GLY 61 Ca 0.00 -1.65 -0.19 0.00 0.00 0.00 0.00 44.72 42.88 2af2 s GLY 61 CO 0.00 -1.69 1.92 -1.55 0.00 0.00 0.00 173.10 171.78 2af2 n PRO 62 N 0.03 2.41 -3.48 2.90 -0.04 -1.26 -4.48 135.00 131.10 2af2 n PRO 62 Ca -0.11 -2.69 -0.19 0.00 -0.04 0.00 0.00 63.50 60.47 2af2 n PRO 62 Cb 0.57 -3.43 0.01 0.00 -0.04 0.00 0.00 33.50 30.61 2af2 n PRO 62 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2af2 n HIS 63 N 9.46 -2.52 -1.40 0.54 1.44 -1.26 -4.80 115.22 116.69 2af2 n HIS 63 Ca 0.49 1.01 -0.47 0.00 -2.01 0.00 0.00 57.72 56.74 2af2 n HIS 63 Cb 0.44 -3.09 -0.02 0.00 0.12 0.00 0.00 29.99 27.44 2af2 n HIS 63 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 2af2 n PHE 64 N -1.83 -0.63 -2.93 -1.40 3.72 -1.26 -4.82 117.46 108.30 2af2 n PHE 64 Ca -0.16 0.89 -0.41 0.00 -0.05 0.00 0.00 57.45 57.71 2af2 n PHE 64 Cb 0.62 -1.95 0.01 0.00 -0.94 0.00 0.00 39.48 37.22 2af2 n PHE 64 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2af2 n ASN 65 N 1.98 6.50 0.26 4.37 6.94 -1.26 -4.43 115.26 129.63 2af2 n ASN 65 Ca 0.16 -3.49 0.18 0.00 -0.02 0.00 0.00 54.58 51.41 2af2 n ASN 65 Cb 0.28 -1.21 0.84 0.00 -2.36 0.00 0.00 39.78 37.33 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 5.03 0.00 0.00 -0.53 0.13 -1.96 0.11 132.00 134.78 2af2 h PRO 66 Ca 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 2af2 h PRO 66 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2af2 h PRO 66 CO 1.27 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.32 2af2 n LEU 67 N -2.84 0.00 -3.28 1.56 7.99 -1.26 -4.96 117.00 114.20 2af2 n LEU 67 Ca -0.01 0.26 -0.16 0.00 -0.01 0.00 0.00 56.01 56.09 2af2 n LEU 67 Cb 0.17 -0.26 0.08 0.00 -0.11 0.00 0.00 43.42 43.31 2af2 n LEU 67 CO 0.21 -0.03 0.08 -0.24 -1.51 0.00 0.00 177.39 175.90 2af2 n SER 68 N -1.26 -3.55 -3.75 -1.43 2.88 0.37 -5.01 113.62 101.87 2af2 n SER 68 Ca 0.14 -0.63 -0.17 0.00 -1.33 0.00 0.00 58.87 56.88 2af2 n SER 68 Cb 0.20 -4.98 -0.09 0.00 -0.75 0.00 0.00 64.21 58.60 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 -4.98 1.54 0.65 -1.46 1.70 -1.26 -5.14 118.95 110.00 2af2 s ARG 69 Ca 0.15 -1.87 -0.12 0.00 -0.47 0.00 0.00 55.73 53.42 2af2 s ARG 69 Cb -0.02 0.24 -0.02 0.00 -0.57 0.00 0.00 34.95 34.58 2af2 s ARG 69 CO 0.70 -0.53 1.05 0.15 -1.08 0.00 0.00 175.30 175.59 2af2 s LYS 70 N -3.75 3.25 0.40 3.89 1.02 -1.26 -4.85 119.74 118.43 2af2 s LYS 70 Ca 0.39 0.93 -0.23 0.00 0.02 0.00 0.00 55.97 57.08 2af2 s LYS 70 Cb 0.04 -2.03 -0.10 0.00 -0.52 0.00 0.00 37.83 35.22 2af2 s LYS 70 CO 0.21 -0.85 0.96 -1.58 -0.92 0.00 0.00 175.35 173.17 2af2 s HIS 71 N -2.97 3.41 0.00 3.18 5.65 -1.22 -3.25 115.29 120.08 2af2 s HIS 71 Ca 0.58 1.67 0.00 0.00 0.25 0.00 0.00 55.06 57.56 2af2 s HIS 71 Cb -0.13 -2.90 0.00 0.00 -1.18 0.00 0.00 32.58 28.36 2af2 s HIS 71 CO 0.51 -0.08 0.00 0.41 -0.65 0.00 0.00 174.74 174.92 2af2 n GLY 72 N -0.17 -0.46 0.00 1.59 0.00 -1.26 -3.08 105.19 101.81 2af2 n GLY 72 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 2.21 0.00 -0.02 0.00 -0.10 -4.71 105.19 102.56 2af2 n GLY 73 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.00 1.61 -0.02 -1.26 -2.12 135.00 133.21 2af2 n PRO 74 Ca 0.00 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2af2 n PRO 74 Cb 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 -1.23 0.00 -3.45 -0.52 2.85 -1.26 -5.07 118.16 109.47 2af2 n LYS 75 Ca 0.00 -0.10 -0.16 0.00 -1.05 0.00 0.00 58.31 57.00 2af2 n LYS 75 Cb 0.08 -0.10 -0.12 0.00 -0.65 0.00 0.00 35.03 34.24 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 0.00 1.09 0.00 -5.58 2.15 -0.90 -4.91 116.67 108.52 2af2 s ASP 76 Ca 0.00 -0.11 0.06 0.00 0.43 0.00 0.00 52.55 52.93 2af2 s ASP 76 Cb 0.00 0.57 0.28 0.00 -0.30 0.00 0.00 42.92 43.47 2af2 s ASP 76 CO 0.00 -0.32 1.18 -0.62 -0.17 0.00 0.00 175.17 175.24 2af2 n GLU 77 N 5.33 0.02 0.00 4.34 1.02 -1.26 -0.92 120.64 129.16 2af2 n GLU 77 Ca -0.05 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 2af2 n GLU 77 Cb 0.50 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 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 -1.46 0.00 -0.68 3.49 -0.58 -1.26 -5.00 120.64 115.14 2af2 n GLU 78 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2af2 n GLU 78 Cb 0.07 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.94 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 0.00 -0.37 -0.73 3.49 0.63 -1.20 -4.88 116.66 113.60 2af2 n ARG 79 Ca 0.00 0.73 -0.32 0.00 -0.92 0.00 0.00 57.85 57.34 2af2 n ARG 79 Cb 0.00 -0.36 0.15 0.00 0.45 0.00 0.00 32.46 32.70 2af2 n ARG 79 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2af2 n HIS 80 N 0.13 -0.51 -0.07 -0.14 8.25 -1.26 -4.93 115.22 116.69 2af2 n HIS 80 Ca 0.00 0.28 -0.07 0.00 -0.26 0.00 0.00 57.72 57.67 2af2 n HIS 80 Cb 0.00 -1.86 -0.01 0.00 1.12 0.00 0.00 29.99 29.25 2af2 n HIS 80 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2af2 h VAL 81 N -1.78 0.61 -3.63 1.59 2.07 -1.92 -3.28 116.25 109.91 2af2 h VAL 81 Ca -0.44 0.00 -0.70 0.00 0.82 0.00 0.00 66.70 66.37 2af2 h VAL 81 Cb 1.28 0.61 -0.27 0.00 -1.52 0.00 0.00 31.29 31.39 2af2 h VAL 81 CO 0.38 0.00 -0.56 -0.83 0.02 0.00 0.00 177.57 176.58 2af2 s GLY 82 N -2.84 1.89 -0.27 2.17 0.00 -1.26 -4.81 107.32 102.19 2af2 s GLY 82 Ca -0.14 -1.76 -0.08 0.00 0.00 0.00 0.00 44.72 42.74 2af2 s GLY 82 CO 0.69 0.82 0.57 0.99 0.00 0.00 0.00 173.10 176.17 2af2 s ASP 83 N 1.50 -0.87 0.34 1.64 1.11 -1.24 -4.45 116.67 114.70 2af2 s ASP 83 Ca 0.00 1.29 0.07 0.00 0.18 0.00 0.00 52.55 54.09 2af2 s ASP 83 Cb -0.20 1.98 -0.02 0.00 1.07 0.00 0.00 42.92 45.75 2af2 s ASP 83 CO 0.04 -0.23 0.33 -0.76 1.18 0.00 0.00 175.17 175.73 2af2 s LEU 84 N 2.80 3.64 0.00 1.23 2.01 -1.26 -4.92 118.68 122.19 2af2 s LEU 84 Ca -0.01 -0.47 0.00 0.00 0.01 0.00 0.00 54.13 53.66 2af2 s LEU 84 Cb -0.12 -2.29 0.00 0.00 0.01 0.00 0.00 46.19 43.78 2af2 s LEU 84 CO -0.17 -0.40 0.00 0.61 1.01 0.00 0.00 176.35 177.40 2af2 n GLY 85 N -1.44 1.31 3.64 -3.19 0.00 -1.25 -4.41 105.19 99.85 2af2 n GLY 85 Ca -0.01 -1.11 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 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 4.57 0.48 1.61 2.20 -1.26 -0.70 114.94 120.84 2af2 s ASN 86 Ca 0.00 -0.58 0.07 0.00 -0.94 0.00 0.00 52.86 51.41 2af2 s ASN 86 Cb 0.00 -0.87 0.01 0.00 -2.00 0.00 0.00 41.25 38.39 2af2 s ASN 86 CO 0.00 0.03 0.44 0.68 -2.94 0.00 0.00 177.10 175.31 2af2 s VAL 87 N -2.12 2.26 -0.02 3.54 -7.23 0.12 -4.89 120.40 112.06 2af2 s VAL 87 Ca 0.30 -1.35 -0.02 0.00 -1.81 0.00 0.00 61.98 59.10 2af2 s VAL 87 Cb -0.07 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.26 2af2 s VAL 87 CO 0.19 0.00 0.06 0.28 -0.31 0.00 0.00 175.10 175.32 2af2 s THR 88 N -2.60 0.01 0.09 5.32 -1.32 -1.26 -0.56 115.64 115.32 2af2 s THR 88 Ca 0.45 -0.11 0.03 0.00 -1.21 0.00 0.00 61.69 60.86 2af2 s THR 88 Cb -0.03 -0.12 -0.04 0.00 -1.51 0.00 0.00 72.50 70.79 2af2 s THR 88 CO 0.27 -0.06 0.08 0.00 -2.21 0.00 0.00 174.62 172.71 2af2 s ALA 89 N -0.15 3.55 0.22 11.08 0.00 0.31 -4.15 121.76 132.62 2af2 s ALA 89 Ca -0.02 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 50.94 2af2 s ALA 89 Cb -0.02 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 2af2 s ALA 89 CO 0.00 0.71 0.32 0.34 0.00 0.00 0.00 175.76 177.14 2af2 s ASP 90 N -2.48 6.24 0.64 0.00 2.15 0.59 -2.48 116.67 121.32 2af2 s ASP 90 Ca 0.29 0.06 0.25 0.00 0.43 0.00 0.00 52.55 53.58 2af2 s ASP 90 Cb -0.12 -1.82 1.31 0.00 -0.30 0.00 0.00 42.92 41.99 2af2 s ASP 90 CO 0.22 -0.04 1.74 0.07 -0.17 0.00 0.00 175.17 176.99 2af2 h LYS 91 N 1.43 0.00 -0.04 4.34 2.10 -1.87 -1.52 116.57 121.02 2af2 h LYS 91 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 2af2 h LYS 91 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2af2 h LYS 91 CO 0.63 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.83 2af2 n ASP 92 N -3.08 1.12 -0.01 7.07 9.92 -1.26 -4.83 116.55 125.49 2af2 n ASP 92 Ca 0.03 -1.42 0.00 0.00 -0.53 0.00 0.00 54.79 52.86 2af2 n ASP 92 Cb 0.62 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 2af2 n ASP 92 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2af2 n GLY 93 N 1.11 1.69 3.46 0.44 0.00 -0.60 -4.99 105.19 106.29 2af2 n GLY 93 Ca 0.19 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.02 -0.01 -0.15 1.61 0.11 -1.01 -0.77 120.40 118.17 2af2 s VAL 94 Ca 0.00 0.03 -0.16 0.00 -2.93 0.00 0.00 61.98 58.92 2af2 s VAL 94 Cb 0.00 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 2af2 s VAL 94 CO 0.00 0.01 0.40 0.00 -3.33 0.00 0.00 175.10 172.19 2af2 s ALA 95 N 1.09 3.53 0.19 1.54 0.00 0.29 -0.30 121.76 128.09 2af2 s ALA 95 Ca -0.06 -0.33 -0.16 0.00 0.00 0.00 0.00 51.96 51.41 2af2 s ALA 95 Cb -0.06 -2.56 -0.07 0.00 0.00 0.00 0.00 23.12 20.42 2af2 s ALA 95 CO -0.10 -0.02 0.62 0.34 0.00 0.00 0.00 175.76 176.59 2af2 s ASP 96 N 0.65 6.88 -0.09 0.00 2.15 -1.26 -0.67 116.67 124.33 2af2 s ASP 96 Ca 0.22 1.19 -0.00 0.00 0.43 0.00 0.00 52.55 54.38 2af2 s ASP 96 Cb -0.14 -2.33 0.02 0.00 -0.30 0.00 0.00 42.92 40.17 2af2 s ASP 96 CO 0.08 0.05 -0.05 -0.69 -0.17 0.00 0.00 175.17 174.38 2af2 s VAL 97 N -1.54 0.78 -0.39 1.11 1.01 -0.49 -4.79 120.40 116.09 2af2 s VAL 97 Ca 0.41 -0.16 0.11 0.00 0.00 0.00 0.00 61.98 62.33 2af2 s VAL 97 Cb -0.15 -0.83 0.35 0.00 0.00 0.00 0.00 36.38 35.75 2af2 s VAL 97 CO 0.20 0.32 0.88 -1.54 0.00 0.00 0.00 175.10 174.95 2af2 n SER 98 N 4.77 -0.11 -4.52 3.32 3.41 -1.25 -1.61 113.62 117.63 2af2 n SER 98 Ca -0.14 -3.16 -0.26 0.00 -0.26 0.00 0.00 58.87 55.05 2af2 n SER 98 Cb 0.50 0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.52 2af2 n SER 98 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2af2 s ILE 99 N -1.63 2.86 -0.04 -1.33 1.01 -0.06 -5.00 121.20 117.01 2af2 s ILE 99 Ca 0.33 -1.90 0.01 0.00 0.00 0.00 0.00 60.65 59.09 2af2 s ILE 99 Cb 0.34 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 40.41 2af2 s ILE 99 CO -0.06 -0.18 -0.02 -0.70 0.00 0.00 0.00 174.94 173.98 2af2 s GLU 100 N -2.95 0.58 0.02 2.79 2.12 -1.26 0.33 118.70 120.32 2af2 s GLU 100 Ca 0.25 -0.03 0.03 0.00 0.36 0.00 0.00 54.97 55.58 2af2 s GLU 100 Cb -0.08 -0.66 -0.02 0.00 0.26 0.00 0.00 34.13 33.64 2af2 s GLU 100 CO 0.14 -0.09 -0.11 0.34 -0.54 0.00 0.00 175.26 175.00 2af2 s ASP 101 N 0.91 1.23 -0.52 -1.70 2.15 -0.44 -4.97 116.67 113.33 2af2 s ASP 101 Ca -0.11 -0.37 0.07 0.00 0.43 0.00 0.00 52.55 52.57 2af2 s ASP 101 Cb -0.14 -0.07 0.35 0.00 -0.30 0.00 0.00 42.92 42.76 2af2 s ASP 101 CO -0.01 0.00 0.90 -1.54 -0.17 0.00 0.00 175.17 174.36 2af2 n SER 102 N 2.14 3.55 0.00 -0.34 3.41 -1.26 -0.61 113.62 120.50 2af2 n SER 102 Ca -0.17 -3.51 0.00 0.00 -0.26 0.00 0.00 58.87 54.93 2af2 n SER 102 Cb 0.56 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 -0.13 0.00 -2.21 -3.33 3.14 -1.26 -4.92 118.33 109.62 2af2 n VAL 103 Ca 0.30 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.37 2af2 n VAL 103 Cb 0.48 -0.08 -0.00 0.00 -1.06 0.00 0.00 33.84 33.18 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 -1.81 4.74 0.26 1.55 -0.00 -1.26 -5.05 121.20 119.62 2af2 s ILE 104 Ca 0.00 0.74 -0.21 0.00 -0.00 0.00 0.00 60.65 61.17 2af2 s ILE 104 Cb 0.00 -3.84 0.03 0.00 -0.00 0.00 0.00 42.46 38.65 2af2 s ILE 104 CO 0.00 -0.96 0.71 -0.94 -0.00 0.00 0.00 174.94 173.76 2af2 s SER 105 N -3.92 -0.29 -0.91 4.36 1.04 -1.25 -4.46 113.70 108.27 2af2 s SER 105 Ca 0.53 -0.53 -0.01 0.00 0.48 0.00 0.00 55.95 56.42 2af2 s SER 105 Cb -0.11 0.71 0.34 0.00 0.10 0.00 0.00 66.02 67.06 2af2 s SER 105 CO 0.47 -1.29 1.92 0.18 0.98 0.00 0.00 173.24 175.50 2af2 n LEU 106 N -0.45 7.38 0.00 2.42 4.32 -1.20 -3.10 117.00 126.38 2af2 n LEU 106 Ca -0.06 -5.07 0.07 0.00 -0.02 0.00 0.00 56.01 50.93 2af2 n LEU 106 Cb 0.60 -1.09 0.43 0.00 -1.62 0.00 0.00 43.42 41.74 2af2 n LEU 106 CO 0.15 1.89 0.71 -0.24 -1.22 0.00 0.00 177.39 178.68 2af2 n SER 107 N -0.35 0.00 0.00 -1.43 2.88 -0.91 -4.79 113.62 109.02 2af2 n SER 107 Ca 0.51 -1.15 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 2af2 n SER 107 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 0.48 1.22 0.00 0.46 0.00 -1.26 -4.77 105.19 101.32 2af2 n GLY 108 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2af2 n GLY 108 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2af2 n ASP 109 N 0.00 0.00 0.08 1.61 5.75 -1.26 -4.68 116.55 118.05 2af2 n ASP 109 Ca 0.00 -0.39 -0.07 0.00 -0.01 0.00 0.00 54.79 54.33 2af2 n ASP 109 Cb 0.00 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.17 2af2 n ASP 109 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 2af2 h HIS 110 N 0.00 0.35 -0.00 2.11 -0.00 -1.86 -3.31 115.15 112.43 2af2 h HIS 110 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 60.22 2af2 h HIS 110 Cb 0.19 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 2af2 h HIS 110 CO 0.00 0.86 -0.61 -1.13 -0.00 0.00 0.00 177.93 177.05 2af2 n SER 111 N -3.82 0.96 0.00 2.45 3.41 -1.26 -4.63 113.62 110.72 2af2 n SER 111 Ca -0.03 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 2af2 n SER 111 Cb 0.67 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 65.48 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 -1.02 0.00 -1.66 -1.33 -5.35 -1.18 -3.75 119.36 105.07 2af2 n ILE 112 Ca 0.04 0.00 -0.53 0.00 -0.27 0.00 0.00 62.75 61.99 2af2 n ILE 112 Cb 0.26 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.10 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 0.18 -0.26 7.28 2.08 -1.26 -1.79 119.36 125.60 2af2 n ILE 113 Ca 0.00 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.28 2af2 n ILE 113 Cb 0.00 -1.16 0.00 0.00 -0.75 0.00 0.00 39.64 37.73 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 3.47 2.10 3.93 7.39 0.00 -0.27 -4.58 105.19 117.22 2af2 n GLY 114 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.13 1.00 -0.05 1.61 3.00 -0.74 -3.93 118.95 119.71 2af2 s ARG 115 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 55.73 55.43 2af2 s ARG 115 Cb 0.00 -1.89 0.02 0.00 0.00 0.00 0.00 34.95 33.08 2af2 s ARG 115 CO 0.00 -2.18 -0.06 -0.08 0.00 0.00 0.00 175.30 172.98 2af2 s THR 116 N -3.78 0.68 -0.23 0.02 -1.32 -1.22 -0.39 115.64 109.41 2af2 s THR 116 Ca 0.71 -0.20 -0.09 0.00 -1.21 0.00 0.00 61.69 60.90 2af2 s THR 116 Cb -0.06 -0.68 -0.04 0.00 -1.51 0.00 0.00 72.50 70.20 2af2 s THR 116 CO 0.52 0.26 0.12 -0.22 -2.21 0.00 0.00 174.62 173.09 2af2 s LEU 117 N 0.92 3.93 -0.10 9.08 2.96 -0.19 0.18 118.68 135.45 2af2 s LEU 117 Ca -0.11 0.05 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 2af2 s LEU 117 Cb -0.15 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 2af2 s LEU 117 CO 0.00 0.08 -0.08 0.54 -1.32 0.00 0.00 176.35 175.58 2af2 s VAL 118 N 0.97 3.59 0.04 1.68 0.11 -0.05 -0.86 120.40 125.88 2af2 s VAL 118 Ca 0.06 -0.50 -0.14 0.00 -2.93 0.00 0.00 61.98 58.47 2af2 s VAL 118 Cb -0.14 -2.50 -0.06 0.00 -1.53 0.00 0.00 36.38 32.15 2af2 s VAL 118 CO 0.03 0.55 0.44 0.54 -3.33 0.00 0.00 175.10 173.34 2af2 s VAL 119 N -0.25 4.99 0.39 2.04 0.11 0.39 -0.86 120.40 127.21 2af2 s VAL 119 Ca 0.03 0.81 0.08 0.00 -2.93 0.00 0.00 61.98 59.97 2af2 s VAL 119 Cb -0.13 -3.72 -0.05 0.00 -1.53 0.00 0.00 36.38 30.95 2af2 s VAL 119 CO 0.03 0.48 0.17 -1.00 -3.33 0.00 0.00 175.10 171.45 2af2 s HIS 120 N -1.19 2.63 -0.15 1.54 3.76 0.13 -1.26 115.29 120.76 2af2 s HIS 120 Ca 0.28 -0.52 -0.19 0.00 -0.15 0.00 0.00 55.06 54.47 2af2 s HIS 120 Cb -0.16 -1.87 -0.24 0.00 1.11 0.00 0.00 32.58 31.42 2af2 s HIS 120 CO 0.16 0.22 0.46 1.49 -0.85 0.00 0.00 174.74 176.22 2af2 h GLU 121 N 1.45 0.12 0.00 1.40 4.22 -1.10 -3.26 114.58 117.42 2af2 h GLU 121 Ca -0.43 -0.21 -0.32 0.00 0.08 0.00 0.00 59.36 58.49 2af2 h GLU 121 Cb 1.25 0.08 0.02 0.00 0.50 0.00 0.00 28.75 30.60 2af2 h GLU 121 CO 0.67 1.10 -0.04 1.63 -2.18 0.00 0.00 179.01 180.19 2af2 n LYS 122 N -4.19 0.73 -1.26 1.92 4.01 -0.29 -4.47 118.16 114.62 2af2 n LYS 122 Ca -0.25 -2.04 -0.35 0.00 -0.51 0.00 0.00 58.31 55.15 2af2 n LYS 122 Cb 0.77 -0.16 0.09 0.00 -0.51 0.00 0.00 35.03 35.22 2af2 n LYS 122 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2af2 n ALA 123 N -2.57 -0.61 -2.84 7.82 0.00 -0.93 -0.51 120.51 120.87 2af2 n ALA 123 Ca -0.09 -0.25 -0.37 0.00 0.00 0.00 0.00 53.44 52.73 2af2 n ALA 123 Cb 0.39 -2.07 -0.06 0.00 0.00 0.00 0.00 19.45 17.72 2af2 n ALA 123 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2af2 s ASP 124 N -1.71 6.43 0.08 0.00 1.47 -1.26 -4.35 116.67 117.33 2af2 s ASP 124 Ca 0.71 0.51 -0.07 0.00 1.18 0.00 0.00 52.55 54.87 2af2 s ASP 124 Cb -0.33 -2.08 -0.25 0.00 -0.34 0.00 0.00 42.92 39.92 2af2 s ASP 124 CO 0.53 0.38 1.16 -0.78 0.68 0.00 0.00 175.17 177.14 2af2 h ASP 125 N 4.80 0.58 -5.99 2.11 1.82 -1.35 -3.47 116.42 114.92 2af2 h ASP 125 Ca -0.54 -0.56 -0.40 0.00 -0.39 0.00 0.00 57.03 55.13 2af2 h ASP 125 Cb 1.22 -0.18 0.08 0.00 0.68 0.00 0.00 39.33 41.13 2af2 h ASP 125 CO 0.60 1.41 -0.79 0.18 -1.61 0.00 0.00 179.24 179.02 2af2 n LEU 126 N -3.65 -3.28 0.00 2.28 4.77 -1.25 -4.20 117.00 111.66 2af2 n LEU 126 Ca -0.10 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 2af2 n LEU 126 Cb 0.98 -2.79 0.00 0.00 -2.33 0.00 0.00 43.42 39.28 2af2 n LEU 126 CO 0.55 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 2af2 n GLY 127 N -1.52 2.83 2.84 -0.72 0.00 -0.25 -4.30 105.19 104.07 2af2 n GLY 127 Ca -0.23 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 0.79 0.00 1.61 1.02 -1.26 -3.44 119.74 118.46 2af2 s LYS 128 Ca 0.00 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.12 2af2 s LYS 128 Cb 0.00 -0.47 0.00 0.00 -0.52 0.00 0.00 37.83 36.84 2af2 s LYS 128 CO 0.00 -1.24 0.00 0.41 -0.92 0.00 0.00 175.35 173.60 2af2 n GLY 129 N 3.92 1.77 1.40 -3.33 0.00 -1.26 -5.00 105.19 102.68 2af2 n GLY 129 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 2.85 0.46 3.54 -0.02 0.00 -1.26 -5.13 105.19 105.64 2af2 n GLY 130 Ca 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 2af2 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2af2 s ASN 131 N -0.67 -0.52 0.24 1.61 4.22 -1.26 -5.08 114.94 113.48 2af2 s ASN 131 Ca 0.02 0.55 -0.07 0.00 -2.14 0.00 0.00 52.86 51.23 2af2 s ASN 131 Cb 0.12 0.43 0.41 0.00 1.28 0.00 0.00 41.25 43.49 2af2 s ASN 131 CO -0.03 -0.50 1.66 -0.08 -2.04 0.00 0.00 177.10 176.11 2af2 h GLU 132 N 2.77 0.17 -0.74 3.55 4.81 -2.02 -0.00 114.58 123.11 2af2 h GLU 132 Ca -0.23 -0.01 0.22 0.00 -0.13 0.00 0.00 59.36 59.20 2af2 h GLU 132 Cb 1.15 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 2af2 h GLU 132 CO 0.35 0.11 0.64 0.93 -0.73 0.00 0.00 179.01 180.31 2af2 h GLU 133 N 0.17 0.00 -0.54 1.92 5.08 -1.97 -0.15 114.58 119.08 2af2 h GLU 133 Ca 0.39 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.91 2af2 h GLU 133 Cb 0.67 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2af2 h GLU 133 CO -0.57 0.00 0.46 0.66 -1.00 0.00 0.00 179.01 178.56 2af2 h SER 134 N 0.00 0.00 0.00 1.42 4.64 -1.26 0.12 113.55 118.47 2af2 h SER 134 Ca 0.35 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.56 2af2 h SER 134 Cb 1.63 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.70 2af2 h SER 134 CO -0.00 0.00 -1.44 1.07 -0.87 0.00 0.00 176.83 175.59 2af2 n THR 135 N -4.05 0.41 0.26 2.95 5.66 -0.57 -1.09 114.28 117.86 2af2 n THR 135 Ca 0.10 -0.27 0.13 0.00 -3.05 0.00 0.00 64.05 60.97 2af2 n THR 135 Cb 0.68 -0.73 0.67 0.00 -1.55 0.00 0.00 70.33 69.40 2af2 n THR 135 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2af2 h LYS 136 N 0.00 0.00 0.00 1.09 3.64 -0.77 -3.23 116.57 117.30 2af2 h LYS 136 Ca -0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2af2 h LYS 136 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2af2 h LYS 136 CO 0.01 0.13 0.00 0.25 -2.27 0.00 0.00 179.45 177.57 2af2 n THR 137 N -3.42 0.00 0.00 1.00 -2.24 -0.33 -4.92 114.28 104.36 2af2 n THR 137 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2af2 n THR 137 Cb 0.30 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 0.70 0.82 2.60 3.38 0.00 0.27 -4.78 105.19 108.18 2af2 n GLY 138 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.92 -0.47 1.61 4.05 -0.89 -0.95 115.26 114.68 2af2 n ASN 139 Ca 0.00 0.10 0.00 0.00 0.45 0.00 0.00 54.58 55.13 2af2 n ASN 139 Cb 0.00 -3.31 0.00 0.00 1.23 0.00 0.00 39.78 37.70 2af2 n ASN 139 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2af2 n ALA 140 N -2.46 1.77 -0.93 5.20 0.00 -1.26 -4.78 120.51 118.05 2af2 n ALA 140 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2af2 n ALA 140 Cb 0.60 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 0.24 0.17 0.00 0.00 0.00 -1.26 -1.14 105.19 103.19 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 -0.58 0.00 -4.38 1.61 2.88 -1.26 -4.48 113.62 107.41 2af2 n SER 142 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 2af2 n SER 142 Cb 0.29 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.63 2af2 n SER 142 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2af2 s ARG 143 N -1.16 1.41 0.00 -1.46 1.04 -1.26 -1.47 118.95 116.04 2af2 s ARG 143 Ca 0.00 -1.46 0.00 0.00 -1.04 0.00 0.00 55.73 53.23 2af2 s ARG 143 Cb 0.00 -1.64 0.00 0.00 -2.04 0.00 0.00 34.95 31.27 2af2 s ARG 143 CO 0.00 0.35 0.00 1.47 -0.04 0.00 0.00 175.30 177.08 2af2 n LEU 144 N 0.34 0.00 -4.75 -1.89 -0.00 -0.39 -4.80 117.00 105.52 2af2 n LEU 144 Ca -0.13 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.50 2af2 n LEU 144 Cb 0.56 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 44.02 2af2 n LEU 144 CO 0.29 0.00 0.93 0.00 -0.00 0.00 0.00 177.39 178.61 2af2 s ALA 145 N -2.00 2.69 0.03 1.47 0.00 -1.25 -4.65 121.76 118.04 2af2 s ALA 145 Ca 0.00 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.20 2af2 s ALA 145 Cb 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 2af2 s ALA 145 CO 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 175.76 174.37 2af2 s GLY 147 N -1.19 -0.51 0.48 0.00 0.00 -0.04 -1.10 107.32 104.96 2af2 s GLY 147 Ca -0.09 1.72 -0.20 0.00 0.00 0.00 0.00 44.72 46.15 2af2 s GLY 147 CO -0.00 1.44 1.02 0.14 0.00 0.00 0.00 173.10 175.69 2af2 s VAL 148 N -0.03 3.96 -1.18 1.40 1.01 -1.26 -1.03 120.40 123.27 2af2 s VAL 148 Ca -0.03 1.19 -0.19 0.00 0.00 0.00 0.00 61.98 62.95 2af2 s VAL 148 Cb -0.04 -3.49 0.08 0.00 0.00 0.00 0.00 36.38 32.93 2af2 s VAL 148 CO 0.03 -0.29 1.59 -0.63 0.00 0.00 0.00 175.10 175.80 2af2 s ILE 149 N -2.08 4.17 0.00 2.22 -1.09 0.48 -4.30 121.20 120.60 2af2 s ILE 149 Ca 0.66 -1.60 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 2af2 s ILE 149 Cb -0.14 -5.11 0.00 0.00 -1.58 0.00 0.00 42.46 35.63 2af2 s ILE 149 CO 0.20 -1.94 0.00 0.61 -1.23 0.00 0.00 174.94 172.58 2af2 n GLY 150 N 5.77 0.38 3.10 6.18 0.00 -0.42 -1.12 105.19 119.07 2af2 n GLY 150 Ca 0.42 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 2af2 n GLY 150 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2af2 s ILE 151 N 0.07 0.15 -0.28 -0.61 -5.25 -1.26 -0.61 121.20 113.40 2af2 s ILE 151 Ca 0.00 -1.20 0.12 0.00 -0.99 0.00 0.00 60.65 58.58 2af2 s ILE 151 Cb 0.00 -0.95 -0.16 0.00 2.95 0.00 0.00 42.46 44.30 2af2 s ILE 151 CO 0.00 -0.66 0.38 0.00 -1.79 0.00 0.00 174.94 172.87 2af2 n ALA 152 N 0.72 2.99 -0.06 2.27 0.00 -0.55 -4.93 120.51 120.93 2af2 n ALA 152 Ca -0.19 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2af2 n ALA 152 Cb 0.59 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2af2 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44