#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 0.00 -0.08 0.00 -1.32 -1.04 -5.01 115.64 108.19 2af2 s THR 2 Ca 0.00 -1.13 -0.07 0.00 -1.21 0.00 0.00 61.69 59.28 2af2 s THR 2 Cb 0.00 -2.16 0.02 0.00 -1.51 0.00 0.00 72.50 68.85 2af2 s THR 2 CO 0.00 0.00 0.22 -1.59 -2.21 0.00 0.00 174.62 171.04 2af2 s LYS 3 N -3.77 0.25 0.43 7.08 -2.85 -1.26 -0.27 119.74 119.35 2af2 s LYS 3 Ca 0.15 0.32 0.07 0.00 -1.00 0.00 0.00 55.97 55.51 2af2 s LYS 3 Cb -0.04 0.10 0.01 0.00 -2.06 0.00 0.00 37.83 35.84 2af2 s LYS 3 CO 0.08 -0.04 0.59 0.00 0.10 0.00 0.00 175.35 176.08 2af2 s ALA 4 N 0.23 4.41 -0.29 0.59 0.00 -0.45 -1.37 121.76 124.88 2af2 s ALA 4 Ca -0.01 -1.60 -0.02 0.00 0.00 0.00 0.00 51.96 50.33 2af2 s ALA 4 Cb -0.02 -1.70 0.18 0.00 0.00 0.00 0.00 23.12 21.57 2af2 s ALA 4 CO -0.01 -0.33 0.57 0.54 0.00 0.00 0.00 175.76 176.53 2af2 s VAL 5 N -2.40 -0.94 -0.21 0.00 0.11 -1.26 -2.13 120.40 113.57 2af2 s VAL 5 Ca 0.55 -0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 59.30 2af2 s VAL 5 Cb -0.10 -0.97 -0.02 0.00 -1.53 0.00 0.00 36.38 33.76 2af2 s VAL 5 CO 0.34 -0.02 1.49 0.00 -3.33 0.00 0.00 175.10 173.57 2af2 s ALA 6 N 2.81 3.39 -1.16 1.54 0.00 0.10 -4.77 121.76 123.68 2af2 s ALA 6 Ca 0.18 0.43 -0.20 0.00 0.00 0.00 0.00 51.96 52.37 2af2 s ALA 6 Cb -0.15 -3.78 0.07 0.00 0.00 0.00 0.00 23.12 19.26 2af2 s ALA 6 CO -0.20 -1.72 1.56 0.54 0.00 0.00 0.00 175.76 175.94 2af2 s VAL 7 N 4.60 4.16 -0.72 0.00 0.11 -1.25 -3.14 120.40 124.16 2af2 s VAL 7 Ca 0.65 -1.51 -0.27 0.00 -2.93 0.00 0.00 61.98 57.92 2af2 s VAL 7 Cb -0.23 -5.09 0.03 0.00 -1.53 0.00 0.00 36.38 29.56 2af2 s VAL 7 CO 0.25 -1.93 1.24 -0.76 -3.33 0.00 0.00 175.10 170.58 2af2 s LEU 8 N 4.20 3.29 -0.52 2.54 2.01 -0.85 -3.87 118.68 125.48 2af2 s LEU 8 Ca 0.49 -0.43 0.07 0.00 0.01 0.00 0.00 54.13 54.26 2af2 s LEU 8 Cb 0.01 -2.61 0.19 0.00 0.01 0.00 0.00 46.19 43.79 2af2 s LEU 8 CO -0.01 -1.77 0.72 -0.75 1.01 0.00 0.00 176.35 175.56 2af2 s LYS 9 N 5.51 1.07 0.00 1.70 2.20 -0.08 -1.19 119.74 128.96 2af2 s LYS 9 Ca 0.35 -1.08 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 2af2 s LYS 9 Cb -0.09 -0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.16 2af2 s LYS 9 CO 0.16 -1.33 0.45 0.41 -0.36 0.00 0.00 175.35 174.68 2af2 n GLY 10 N 2.96 -1.78 2.52 5.54 0.00 -0.87 -4.86 105.19 108.69 2af2 n GLY 10 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.04 2.28 0.00 1.61 9.92 -1.26 -4.87 116.55 124.19 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 0.43 -0.55 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 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 -0.05 0.30 0.16 0.44 0.00 -1.26 -0.77 105.19 104.01 2af2 n GLY 12 Ca 0.23 0.34 0.12 0.00 0.00 0.00 0.00 46.02 46.71 2af2 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2af2 h PRO 13 N 0.00 0.00 -5.27 1.61 0.13 -1.98 -3.42 132.00 123.06 2af2 h PRO 13 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 2af2 h PRO 13 Cb 0.00 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 30.89 2af2 h PRO 13 CO 0.00 0.00 -0.71 0.08 -0.23 0.00 0.00 178.00 177.14 2af2 s VAL 14 N -3.45 3.51 0.17 1.56 1.01 0.05 -4.59 120.40 118.67 2af2 s VAL 14 Ca 0.01 -0.49 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 2af2 s VAL 14 Cb 0.08 -2.52 0.04 0.00 0.00 0.00 0.00 36.38 33.98 2af2 s VAL 14 CO 0.34 0.50 0.51 0.00 0.00 0.00 0.00 175.10 176.44 2af2 s GLN 15 N 0.48 1.29 0.23 2.72 0.00 -0.93 -4.16 119.66 119.28 2af2 s GLN 15 Ca -0.06 -0.75 -0.09 0.00 -0.00 0.00 0.00 55.36 54.45 2af2 s GLN 15 Cb -0.15 0.52 -0.01 0.00 0.00 0.00 0.00 33.01 33.37 2af2 s GLN 15 CO 0.03 -0.54 0.38 0.20 0.00 0.00 0.00 175.29 175.36 2af2 s GLY 16 N -2.83 0.80 -0.07 2.60 0.00 -0.33 -1.09 107.32 106.40 2af2 s GLY 16 Ca 0.06 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.68 2af2 s GLY 16 CO -0.07 -0.85 -0.09 -0.26 0.00 0.00 0.00 173.10 171.83 2af2 s ILE 17 N -4.05 0.91 -0.15 0.90 -5.25 -0.51 -2.00 121.20 111.05 2af2 s ILE 17 Ca 0.27 -0.33 -0.04 0.00 -0.99 0.00 0.00 60.65 59.57 2af2 s ILE 17 Cb 0.01 -0.88 0.05 0.00 2.95 0.00 0.00 42.46 44.60 2af2 s ILE 17 CO 0.10 0.31 0.06 -0.63 -1.79 0.00 0.00 174.94 172.99 2af2 s ILE 18 N 0.92 0.14 0.64 8.37 -1.09 -1.19 -1.06 121.20 127.92 2af2 s ILE 18 Ca -0.10 -0.16 -0.13 0.00 -2.23 0.00 0.00 60.65 58.03 2af2 s ILE 18 Cb -0.15 -0.64 -0.02 0.00 -1.58 0.00 0.00 42.46 40.07 2af2 s ILE 18 CO 0.01 -0.13 1.05 0.20 -1.23 0.00 0.00 174.94 174.83 2af2 s ASN 19 N 2.04 5.72 -0.04 3.58 0.01 0.67 0.01 114.94 126.93 2af2 s ASN 19 Ca 0.02 1.66 -0.02 0.00 -0.71 0.00 0.00 52.86 53.81 2af2 s ASN 19 Cb -0.15 -2.51 0.03 0.00 0.41 0.00 0.00 41.25 39.04 2af2 s ASN 19 CO -0.07 -1.21 0.09 -0.36 -1.51 0.00 0.00 177.10 174.03 2af2 s PHE 20 N -2.83 -0.06 -0.26 2.20 0.40 -0.91 -2.46 117.98 114.08 2af2 s PHE 20 Ca 0.60 0.32 -0.19 0.00 -0.60 0.00 0.00 56.93 57.06 2af2 s PHE 20 Cb -0.14 -0.21 -0.03 0.00 0.51 0.00 0.00 43.02 43.15 2af2 s PHE 20 CO 0.47 -0.15 0.54 -1.83 0.70 0.00 0.00 175.22 174.96 2af2 s GLU 21 N 1.35 4.08 -1.24 0.44 -1.05 -1.15 -1.34 118.70 119.81 2af2 s GLU 21 Ca -0.06 0.38 -0.13 0.00 -0.15 0.00 0.00 54.97 55.00 2af2 s GLU 21 Cb -0.12 -3.65 0.16 0.00 -0.44 0.00 0.00 34.13 30.08 2af2 s GLU 21 CO -0.04 -0.36 1.54 0.94 0.95 0.00 0.00 175.26 178.29 2af2 n GLN 22 N 5.55 3.38 -0.32 -4.83 -0.06 0.63 -4.63 117.38 117.09 2af2 n GLN 22 Ca -0.03 -3.73 -0.01 0.00 -2.00 0.00 0.00 57.00 51.23 2af2 n GLN 22 Cb 0.50 -3.08 0.12 0.00 -4.06 0.00 0.00 30.24 23.72 2af2 n GLN 22 CO 0.00 0.00 0.00 1.57 -0.20 0.00 0.00 177.06 178.43 2af2 h LYS 23 N 6.96 1.03 -2.43 3.69 2.10 -1.85 0.30 116.57 126.35 2af2 h LYS 23 Ca 0.35 -0.06 -0.09 0.00 -2.00 0.00 0.00 60.65 58.85 2af2 h LYS 23 Cb 0.83 -0.23 -0.22 0.00 -0.90 0.00 0.00 32.23 31.71 2af2 h LYS 23 CO 1.33 0.68 -0.06 -2.00 -2.00 0.00 0.00 179.45 177.40 2af2 s GLU 24 N -6.09 0.70 0.27 0.07 2.12 -1.26 -1.67 118.70 112.84 2af2 s GLU 24 Ca -0.13 0.58 -0.01 0.00 0.36 0.00 0.00 54.97 55.78 2af2 s GLU 24 Cb 0.18 0.33 0.59 0.00 0.26 0.00 0.00 34.13 35.50 2af2 s GLU 24 CO 0.79 -0.12 1.68 0.77 -0.54 0.00 0.00 175.26 177.85 2af2 h SER 25 N 4.81 0.13 0.00 -1.70 0.02 -2.00 -2.25 113.55 112.57 2af2 h SER 25 Ca -0.28 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2af2 h SER 25 Cb 1.17 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.85 2af2 h SER 25 CO 0.22 -0.04 -0.33 -0.46 -1.14 0.00 0.00 176.83 175.08 2af2 n ASN 26 N -5.12 1.58 -4.75 3.07 6.94 -1.26 -4.59 115.26 111.13 2af2 n ASN 26 Ca 0.18 -2.95 -0.29 0.00 -0.02 0.00 0.00 54.58 51.50 2af2 n ASN 26 Cb 0.56 -0.39 0.14 0.00 -2.36 0.00 0.00 39.78 37.72 2af2 n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2af2 s GLY 27 N -2.49 1.59 0.62 4.83 0.00 -0.85 -4.88 107.32 106.14 2af2 s GLY 27 Ca 0.27 -0.33 -0.18 0.00 0.00 0.00 0.00 44.72 44.48 2af2 s GLY 27 CO -0.02 0.20 1.19 2.56 0.00 0.00 0.00 173.10 177.03 2af2 s PRO 28 N -5.11 2.84 -0.02 2.90 0.04 -1.26 -4.63 135.00 129.76 2af2 s PRO 28 Ca 0.63 1.74 0.01 0.00 0.04 0.00 0.00 61.00 63.43 2af2 s PRO 28 Cb -0.16 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.47 2af2 s PRO 28 CO 0.55 -1.29 -0.04 0.08 0.04 0.00 0.00 177.00 176.34 2af2 s VAL 29 N -1.77 0.43 -0.05 -0.36 1.01 -0.20 -4.74 120.40 114.71 2af2 s VAL 29 Ca 0.75 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.30 2af2 s VAL 29 Cb -0.28 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 2af2 s VAL 29 CO 0.36 0.16 0.95 -0.75 0.00 0.00 0.00 175.10 175.82 2af2 s LYS 30 N 0.43 4.49 -0.23 2.72 2.20 -1.26 -2.02 119.74 126.07 2af2 s LYS 30 Ca -0.05 1.32 0.01 0.00 -0.36 0.00 0.00 55.97 56.89 2af2 s LYS 30 Cb -0.09 -3.49 0.06 0.00 -1.51 0.00 0.00 37.83 32.80 2af2 s LYS 30 CO -0.00 -0.13 -0.07 0.08 -0.36 0.00 0.00 175.35 174.87 2af2 s VAL 31 N 1.35 1.61 0.04 4.02 1.01 0.16 -2.92 120.40 125.66 2af2 s VAL 31 Ca 0.48 -1.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 2af2 s VAL 31 Cb -0.20 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 2af2 s VAL 31 CO 0.23 -0.03 0.13 -1.66 0.00 0.00 0.00 175.10 173.77 2af2 s TRP 32 N 1.37 0.15 0.00 5.22 -2.14 -1.03 -0.43 118.94 122.08 2af2 s TRP 32 Ca -0.05 -0.42 0.00 0.00 2.66 0.00 0.00 56.10 58.29 2af2 s TRP 32 Cb -0.18 -0.10 0.00 0.00 -3.10 0.00 0.00 33.47 30.09 2af2 s TRP 32 CO -0.07 -0.39 0.00 0.41 -2.66 0.00 0.00 176.95 174.25 2af2 n GLY 33 N 0.74 -0.55 3.39 3.67 0.00 -0.34 -0.23 105.19 111.86 2af2 n GLY 33 Ca -0.19 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.63 -0.14 1.61 1.04 -0.22 -1.07 113.70 110.29 2af2 s SER 34 Ca 0.00 1.07 0.01 0.00 0.48 0.00 0.00 55.95 57.51 2af2 s SER 34 Cb 0.00 0.97 -0.00 0.00 0.10 0.00 0.00 66.02 67.09 2af2 s SER 34 CO 0.00 -0.20 -0.18 -0.63 0.98 0.00 0.00 173.24 173.21 2af2 s ILE 35 N 1.28 2.50 0.01 -1.02 -1.09 -0.50 -1.42 121.20 120.96 2af2 s ILE 35 Ca -0.08 -0.84 0.07 0.00 -2.23 0.00 0.00 60.65 57.57 2af2 s ILE 35 Cb -0.07 -2.03 -0.02 0.00 -1.58 0.00 0.00 42.46 38.76 2af2 s ILE 35 CO -0.12 0.53 -0.21 -0.75 -1.23 0.00 0.00 174.94 173.15 2af2 s LYS 36 N 0.69 1.60 0.00 2.79 2.20 -0.25 -0.98 119.74 125.79 2af2 s LYS 36 Ca -0.08 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.67 2af2 s LYS 36 Cb -0.16 -1.63 0.00 0.00 -1.51 0.00 0.00 37.83 34.53 2af2 s LYS 36 CO 0.02 0.43 0.00 0.41 -0.36 0.00 0.00 175.35 175.85 2af2 n GLY 37 N 2.22 2.23 3.62 5.54 0.00 0.06 -2.20 105.19 116.66 2af2 n GLY 37 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 3.74 0.22 0.99 1.02 -1.25 -4.90 118.68 118.50 2af2 s LEU 38 Ca 0.00 1.78 -0.09 0.00 0.02 0.00 0.00 54.13 55.85 2af2 s LEU 38 Cb 0.00 -3.52 0.19 0.00 0.02 0.00 0.00 46.19 42.88 2af2 s LEU 38 CO 0.00 -1.55 1.89 0.74 0.02 0.00 0.00 176.35 177.46 2af2 h THR 39 N 6.53 1.22 -2.20 5.49 2.02 -1.89 -3.07 112.91 121.01 2af2 h THR 39 Ca -0.38 -0.41 0.20 0.00 0.77 0.00 0.00 66.41 66.59 2af2 h THR 39 Cb 1.19 -0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 2af2 h THR 39 CO 0.99 0.22 0.60 -1.84 0.37 0.00 0.00 175.52 175.86 2af2 n GLU 40 N -4.49 0.36 -1.03 6.66 -0.00 -1.26 -3.52 120.64 117.36 2af2 n GLU 40 Ca 0.09 -0.96 0.14 0.00 -0.00 0.00 0.00 57.16 56.43 2af2 n GLU 40 Cb 0.02 1.38 -0.04 0.00 -0.00 0.00 0.00 31.44 32.80 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 -0.67 -1.99 3.77 -1.84 0.00 -0.63 -4.32 105.19 99.51 2af2 n GLY 41 Ca 0.01 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 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 -6.03 4.33 -0.09 0.99 1.43 -1.26 -0.33 118.68 117.73 2af2 s LEU 42 Ca 0.00 2.23 0.02 0.00 -1.03 0.00 0.00 54.13 55.35 2af2 s LEU 42 Cb 0.00 -3.90 0.01 0.00 0.03 0.00 0.00 46.19 42.33 2af2 s LEU 42 CO 0.00 -0.40 -0.14 -1.00 0.23 0.00 0.00 176.35 175.05 2af2 s HIS 43 N -1.38 1.71 0.79 0.29 3.76 0.80 -0.63 115.29 120.62 2af2 s HIS 43 Ca 0.52 -0.71 -0.13 0.00 -0.15 0.00 0.00 55.06 54.58 2af2 s HIS 43 Cb -0.29 -1.24 0.07 0.00 1.11 0.00 0.00 32.58 32.23 2af2 s HIS 43 CO 0.37 -0.37 1.17 0.20 -0.85 0.00 0.00 174.74 175.26 2af2 s GLY 44 N 0.83 2.08 -0.10 -2.22 0.00 0.24 -0.29 107.32 107.86 2af2 s GLY 44 Ca -0.11 0.73 -0.05 0.00 0.00 0.00 0.00 44.72 45.28 2af2 s GLY 44 CO 0.02 1.13 0.24 -0.12 0.00 0.00 0.00 173.10 174.36 2af2 s PHE 45 N -2.28 -0.32 0.16 1.90 2.19 -1.26 -0.14 117.98 118.23 2af2 s PHE 45 Ca 0.71 0.76 -0.17 0.00 0.33 0.00 0.00 56.93 58.56 2af2 s PHE 45 Cb -0.26 0.04 0.03 0.00 -1.31 0.00 0.00 43.02 41.53 2af2 s PHE 45 CO 0.50 -0.22 0.46 -3.38 1.83 0.00 0.00 175.22 174.41 2af2 s HIS 46 N 1.19 -0.19 -0.13 10.12 -3.43 -0.88 -3.33 115.29 118.64 2af2 s HIS 46 Ca -0.09 -0.13 -0.05 0.00 -0.80 0.00 0.00 55.06 53.99 2af2 s HIS 46 Cb -0.10 0.33 -0.04 0.00 -1.43 0.00 0.00 32.58 31.34 2af2 s HIS 46 CO -0.08 -0.80 0.05 0.14 -2.00 0.00 0.00 174.74 172.05 2af2 s VAL 47 N -3.83 4.72 1.09 -5.38 -7.23 0.23 -0.85 120.40 109.14 2af2 s VAL 47 Ca 0.06 -0.08 -0.17 0.00 -1.81 0.00 0.00 61.98 59.98 2af2 s VAL 47 Cb 0.01 -3.06 0.24 0.00 0.56 0.00 0.00 36.38 34.13 2af2 s VAL 47 CO -0.08 0.55 1.18 -1.00 -0.31 0.00 0.00 175.10 175.44 2af2 s HIS 48 N -0.40 1.12 -0.57 2.82 3.76 0.76 -4.53 115.29 118.25 2af2 s HIS 48 Ca 0.09 0.50 0.24 0.00 -0.15 0.00 0.00 55.06 55.73 2af2 s HIS 48 Cb -0.12 -3.65 0.93 0.00 1.11 0.00 0.00 32.58 30.86 2af2 s HIS 48 CO 0.02 -3.30 1.72 -0.85 -0.85 0.00 0.00 174.74 171.48 2af2 n GLU 49 N -4.32 0.20 -3.90 1.40 0.28 -1.09 -4.63 120.64 108.58 2af2 n GLU 49 Ca 0.13 0.36 -0.09 0.00 -0.16 0.00 0.00 57.16 57.41 2af2 n GLU 49 Cb 0.59 -1.83 -0.02 0.00 1.43 0.00 0.00 31.44 31.61 2af2 n GLU 49 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2af2 s PHE 50 N -3.25 0.13 -0.14 -1.84 0.08 -1.26 -4.94 117.98 106.75 2af2 s PHE 50 Ca 0.06 -0.60 0.01 0.00 0.12 0.00 0.00 56.93 56.52 2af2 s PHE 50 Cb 0.10 0.55 0.20 0.00 -0.57 0.00 0.00 43.02 43.31 2af2 s PHE 50 CO 0.43 -1.26 1.30 0.41 -0.10 0.00 0.00 175.22 176.01 2af2 n GLY 51 N -0.47 2.79 3.58 4.36 0.00 -0.29 -0.51 105.19 114.65 2af2 n GLY 51 Ca -0.04 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 2af2 n GLY 51 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2af2 s ASP 52 N 0.30 6.55 -0.09 1.61 -4.77 -1.26 -4.76 116.67 114.26 2af2 s ASP 52 Ca 0.18 0.27 0.04 0.00 -3.30 0.00 0.00 52.55 49.73 2af2 s ASP 52 Cb 0.15 -2.51 0.12 0.00 -1.09 0.00 0.00 42.92 39.59 2af2 s ASP 52 CO 0.03 -1.20 1.14 -0.46 0.70 0.00 0.00 175.17 175.39 2af2 n ASN 53 N 7.62 -1.03 0.05 2.11 0.23 -1.26 -2.38 115.26 120.61 2af2 n ASN 53 Ca 0.09 -2.05 -0.16 0.00 -0.53 0.00 0.00 54.58 51.92 2af2 n ASN 53 Cb 0.49 0.37 -0.14 0.00 -2.08 0.00 0.00 39.78 38.41 2af2 n ASN 53 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 2af2 h THR 54 N 4.82 1.12 0.00 5.53 1.35 -1.88 -3.37 112.91 120.49 2af2 h THR 54 Ca -0.53 -2.78 0.00 0.00 -0.55 0.00 0.00 66.41 62.56 2af2 h THR 54 Cb 1.40 2.73 0.00 0.00 -1.73 0.00 0.00 68.15 70.54 2af2 h THR 54 CO -0.25 0.81 -0.61 0.00 -0.25 0.00 0.00 175.52 175.21 2af2 n ALA 55 N -2.67 2.51 -0.21 6.62 0.00 -1.26 -5.06 120.51 120.43 2af2 n ALA 55 Ca -0.17 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2af2 n ALA 55 Cb 1.04 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.30 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 1.52 1.46 0.23 0.00 0.00 -1.14 -4.31 105.19 102.96 2af2 n GLY 56 Ca 0.00 0.17 0.16 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.71 1.61 -3.15 0.00 -2.24 -1.26 -4.98 114.28 101.55 2af2 n THR 58 Ca -0.00 -2.86 0.06 0.00 -2.27 0.00 0.00 64.05 58.98 2af2 n THR 58 Cb 0.18 0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.46 2af2 n THR 58 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2af2 s SER 59 N -3.09 -0.04 0.00 3.42 1.04 -0.80 -4.81 113.70 109.42 2af2 s SER 59 Ca 0.38 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2af2 s SER 59 Cb 0.38 1.03 0.00 0.00 0.10 0.00 0.00 66.02 67.53 2af2 s SER 59 CO -0.07 -0.01 0.00 0.00 0.98 0.00 0.00 173.24 174.14 2af2 n ALA 60 N 5.34 0.00 -2.32 5.32 0.00 -1.00 -2.87 120.51 124.97 2af2 n ALA 60 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 2af2 n ALA 60 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 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 0.00 0.96 -0.65 0.00 0.00 -1.26 -4.97 107.32 101.39 2af2 s GLY 61 Ca 0.00 -0.32 -0.24 0.00 0.00 0.00 0.00 44.72 44.16 2af2 s GLY 61 CO 0.00 2.85 1.01 2.56 0.00 0.00 0.00 173.10 179.52 2af2 s PRO 62 N 5.29 3.16 -1.48 2.90 0.04 -1.26 -2.67 135.00 140.99 2af2 s PRO 62 Ca 0.60 -0.64 -0.12 0.00 0.04 0.00 0.00 61.00 60.88 2af2 s PRO 62 Cb -0.13 -4.19 0.06 0.00 0.04 0.00 0.00 34.50 30.28 2af2 s PRO 62 CO 0.30 -1.80 1.03 0.72 0.04 0.00 0.00 177.00 177.28 2af2 n HIS 63 N 7.91 -2.47 -2.54 0.56 8.25 -1.26 -4.96 115.22 120.72 2af2 n HIS 63 Ca -0.02 0.92 -0.42 0.00 -0.26 0.00 0.00 57.72 57.94 2af2 n HIS 63 Cb 0.46 -4.30 -0.03 0.00 1.12 0.00 0.00 29.99 27.25 2af2 n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2af2 s PHE 64 N -3.29 3.27 -0.18 4.41 5.36 -1.26 -4.96 117.98 121.33 2af2 s PHE 64 Ca 0.63 1.33 -0.13 0.00 -0.96 0.00 0.00 56.93 57.80 2af2 s PHE 64 Cb -0.30 -3.35 0.05 0.00 -0.34 0.00 0.00 43.02 39.08 2af2 s PHE 64 CO 0.78 -0.96 0.46 0.54 -1.46 0.00 0.00 175.22 174.57 2af2 s ASN 65 N 1.38 -0.53 0.00 6.13 2.20 -1.26 -4.32 114.94 118.54 2af2 s ASN 65 Ca 0.53 0.96 0.18 0.00 -0.94 0.00 0.00 52.86 53.58 2af2 s ASN 65 Cb -0.22 0.90 1.00 0.00 -2.00 0.00 0.00 41.25 40.93 2af2 s ASN 65 CO 0.19 -0.18 1.50 -0.81 -2.94 0.00 0.00 177.10 174.86 2af2 n PRO 66 N 3.54 0.43 0.22 3.55 -0.04 -1.26 -1.85 135.00 139.60 2af2 n PRO 66 Ca -0.18 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.45 2af2 n PRO 66 Cb 0.56 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.72 2af2 n PRO 66 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2af2 h LEU 67 N 0.00 0.00 -2.03 1.53 3.38 -1.97 -3.48 115.31 112.74 2af2 h LEU 67 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 2af2 h LEU 67 Cb 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2af2 h LEU 67 CO 0.00 0.00 -0.89 -0.24 0.09 0.00 0.00 178.44 177.40 2af2 n SER 68 N -3.10 -0.88 -4.87 -0.43 2.88 -0.77 -4.99 113.62 101.47 2af2 n SER 68 Ca 0.04 -0.99 -0.28 0.00 -1.33 0.00 0.00 58.87 56.31 2af2 n SER 68 Cb 0.52 -3.20 -0.02 0.00 -0.75 0.00 0.00 64.21 60.76 2af2 n SER 68 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2af2 s ARG 69 N -6.43 2.24 0.68 -1.46 0.52 -1.26 -5.14 118.95 108.09 2af2 s ARG 69 Ca 0.05 -2.12 -0.11 0.00 -0.52 0.00 0.00 55.73 53.03 2af2 s ARG 69 Cb -0.02 -1.95 -0.00 0.00 0.52 0.00 0.00 34.95 33.50 2af2 s ARG 69 CO 0.88 -0.55 1.06 0.15 0.02 0.00 0.00 175.30 176.86 2af2 s LYS 70 N -4.17 3.11 0.79 3.54 3.01 -1.26 -4.85 119.74 119.91 2af2 s LYS 70 Ca 0.26 0.77 -0.13 0.00 -1.01 0.00 0.00 55.97 55.86 2af2 s LYS 70 Cb -0.01 -2.02 0.20 0.00 -1.01 0.00 0.00 37.83 34.98 2af2 s LYS 70 CO 0.16 -0.93 0.61 1.58 0.51 0.00 0.00 175.35 177.29 2af2 n HIS 71 N -2.99 -3.38 0.00 3.18 -0.00 -1.11 -3.24 115.22 107.68 2af2 n HIS 71 Ca 0.07 -0.56 0.00 0.00 -0.00 0.00 0.00 57.72 57.23 2af2 n HIS 71 Cb 0.55 -0.71 0.00 0.00 -0.00 0.00 0.00 29.99 29.83 2af2 n HIS 71 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2af2 n GLY 72 N -2.43 0.70 0.00 1.57 0.00 -1.25 -3.56 105.19 100.21 2af2 n GLY 72 Ca 0.09 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 2.62 0.00 -0.02 0.00 -0.98 -4.47 105.19 102.34 2af2 n GLY 73 Ca 0.00 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.49 2af2 n GLY 73 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2af2 n PRO 74 N 0.00 0.43 0.00 1.61 -0.04 -1.26 -3.83 135.00 131.92 2af2 n PRO 74 Ca 0.00 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2af2 n PRO 74 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2af2 n PRO 74 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2af2 n LYS 75 N -1.23 0.00 -4.42 0.54 -0.00 -1.26 -5.11 118.16 106.68 2af2 n LYS 75 Ca 0.13 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.19 2af2 n LYS 75 Cb 0.17 -0.24 -0.13 0.00 -0.00 0.00 0.00 35.03 34.83 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 2.63 0.30 -5.58 -1.08 -1.25 -5.02 116.67 106.68 2af2 s ASP 76 Ca 0.00 -0.64 0.22 0.00 -0.52 0.00 0.00 52.55 51.61 2af2 s ASP 76 Cb 0.00 -0.17 0.14 0.00 -1.46 0.00 0.00 42.92 41.43 2af2 s ASP 76 CO 0.00 0.11 1.30 -0.33 0.52 0.00 0.00 175.17 176.77 2af2 h GLU 77 N 4.31 0.00 0.00 4.34 3.07 -1.88 -2.59 114.58 121.83 2af2 h GLU 77 Ca -0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 2af2 h GLU 77 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2af2 h GLU 77 CO 0.41 0.05 -0.09 0.93 -1.40 0.00 0.00 179.01 178.91 2af2 h GLU 78 N 0.00 0.00 -3.40 2.33 5.08 -1.86 -3.48 114.58 113.25 2af2 h GLU 78 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2af2 h GLU 78 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2af2 h GLU 78 CO 0.01 0.00 -0.69 -2.13 -1.00 0.00 0.00 179.01 175.20 2af2 n ARG 79 N -3.42 -4.05 -0.81 2.33 0.63 -1.22 -4.93 116.66 105.19 2af2 n ARG 79 Ca -0.01 3.00 -0.29 0.00 -0.92 0.00 0.00 57.85 59.63 2af2 n ARG 79 Cb 0.05 -3.08 0.23 0.00 0.45 0.00 0.00 32.46 30.11 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 -0.43 1.14 0.35 -0.14 3.76 -1.20 -4.87 115.29 113.90 2af2 s HIS 80 Ca 0.00 0.89 0.04 0.00 -0.15 0.00 0.00 55.06 55.83 2af2 s HIS 80 Cb 0.00 -3.18 0.65 0.00 1.11 0.00 0.00 32.58 31.16 2af2 s HIS 80 CO 0.00 -3.77 1.96 -0.24 -0.85 0.00 0.00 174.74 171.83 2af2 h VAL 81 N -2.54 1.17 -1.84 -0.90 3.04 -1.92 -3.35 116.25 109.90 2af2 h VAL 81 Ca -0.54 -0.49 -0.70 0.00 -1.01 0.00 0.00 66.70 63.95 2af2 h VAL 81 Cb 1.33 0.57 -0.33 0.00 -2.01 0.00 0.00 31.29 30.86 2af2 h VAL 81 CO 0.47 0.20 0.38 0.61 -1.01 0.00 0.00 177.57 178.22 2af2 n GLY 82 N -1.20 5.72 3.02 3.17 0.00 -1.26 -4.89 105.19 109.76 2af2 n GLY 82 Ca 0.04 -2.60 -0.30 0.00 0.00 0.00 0.00 46.02 43.16 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 -2.04 2.79 0.57 1.61 1.01 -1.26 -0.60 116.67 118.76 2af2 s ASP 83 Ca 0.50 -0.55 0.06 0.00 0.71 0.00 0.00 52.55 53.27 2af2 s ASP 83 Cb 0.41 -1.19 0.07 0.00 1.01 0.00 0.00 42.92 43.23 2af2 s ASP 83 CO -0.32 -0.07 0.79 -0.76 0.21 0.00 0.00 175.17 175.02 2af2 s LEU 84 N 1.47 3.22 0.53 1.23 2.01 -1.21 -4.94 118.68 120.99 2af2 s LEU 84 Ca 0.04 -0.55 0.03 0.00 0.01 0.00 0.00 54.13 53.66 2af2 s LEU 84 Cb -0.13 -2.08 0.03 0.00 0.01 0.00 0.00 46.19 44.02 2af2 s LEU 84 CO -0.10 -1.31 0.74 -0.83 1.01 0.00 0.00 176.35 175.85 2af2 s GLY 85 N -4.59 1.85 0.38 -3.19 0.00 -1.26 -4.71 107.32 95.80 2af2 s GLY 85 Ca 0.61 -1.40 -0.24 0.00 0.00 0.00 0.00 44.72 43.68 2af2 s GLY 85 CO 0.39 -1.13 1.02 0.54 0.00 0.00 0.00 173.10 173.91 2af2 s ASN 86 N -4.42 6.92 -0.25 1.64 2.20 -1.26 -4.14 114.94 115.64 2af2 s ASN 86 Ca 0.57 1.96 -0.13 0.00 -0.94 0.00 0.00 52.86 54.32 2af2 s ASN 86 Cb -0.10 -2.58 -0.04 0.00 -2.00 0.00 0.00 41.25 36.52 2af2 s ASN 86 CO 0.37 -0.37 0.29 0.68 -2.94 0.00 0.00 177.10 175.14 2af2 s VAL 87 N -1.69 5.25 -0.21 3.54 -7.23 0.60 -4.83 120.40 115.83 2af2 s VAL 87 Ca 0.56 0.43 -0.04 0.00 -1.81 0.00 0.00 61.98 61.12 2af2 s VAL 87 Cb -0.20 -3.63 -0.01 0.00 0.56 0.00 0.00 36.38 33.10 2af2 s VAL 87 CO 0.26 0.25 -0.03 -0.89 -0.31 0.00 0.00 175.10 174.38 2af2 s THR 88 N 1.55 3.57 -0.08 5.32 2.01 -1.26 -0.14 115.64 126.61 2af2 s THR 88 Ca 0.13 -0.43 -0.05 0.00 0.31 0.00 0.00 61.69 61.64 2af2 s THR 88 Cb -0.15 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 2af2 s THR 88 CO 0.08 0.42 0.14 0.00 -0.69 0.00 0.00 174.62 174.58 2af2 s ALA 89 N 1.32 3.86 0.18 7.40 0.00 0.55 -4.01 121.76 131.06 2af2 s ALA 89 Ca 0.04 -0.69 -0.10 0.00 0.00 0.00 0.00 51.96 51.21 2af2 s ALA 89 Cb -0.14 -1.90 -0.07 0.00 0.00 0.00 0.00 23.12 21.00 2af2 s ALA 89 CO -0.01 0.66 0.50 0.34 0.00 0.00 0.00 175.76 177.25 2af2 s ASP 90 N -1.32 6.65 0.65 0.00 2.15 0.20 -1.60 116.67 123.39 2af2 s ASP 90 Ca 0.19 0.88 0.19 0.00 0.43 0.00 0.00 52.55 54.24 2af2 s ASP 90 Cb -0.12 -2.21 0.97 0.00 -0.30 0.00 0.00 42.92 41.26 2af2 s ASP 90 CO 0.09 0.01 1.54 0.07 -0.17 0.00 0.00 175.17 176.71 2af2 h LYS 91 N 2.95 0.00 0.00 4.34 -0.00 -1.88 0.03 116.57 122.01 2af2 h LYS 91 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 2af2 h LYS 91 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.41 2af2 h LYS 91 CO 0.69 0.00 0.00 -0.25 -0.00 0.00 0.00 179.45 179.89 2af2 n ASP 92 N -2.89 0.00 -0.01 7.07 8.00 -1.26 -4.85 116.55 122.61 2af2 n ASP 92 Ca 0.02 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.86 2af2 n ASP 92 Cb 0.74 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 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 0.51 1.66 3.34 0.44 0.00 -0.03 -4.96 105.19 106.15 2af2 n GLY 93 Ca 0.17 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.02 -0.43 1.61 0.11 -1.02 -0.76 120.40 117.88 2af2 s VAL 94 Ca 0.00 0.06 -0.17 0.00 -2.93 0.00 0.00 61.98 58.93 2af2 s VAL 94 Cb 0.00 -0.66 0.02 0.00 -1.53 0.00 0.00 36.38 34.21 2af2 s VAL 94 CO 0.00 0.02 0.45 0.00 -3.33 0.00 0.00 175.10 172.25 2af2 s ALA 95 N 1.14 3.42 -0.07 1.54 0.00 -0.15 -0.63 121.76 127.01 2af2 s ALA 95 Ca -0.07 -1.53 -0.18 0.00 0.00 0.00 0.00 51.96 50.18 2af2 s ALA 95 Cb -0.07 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 19.93 2af2 s ALA 95 CO -0.10 -1.62 0.49 0.34 0.00 0.00 0.00 175.76 174.87 2af2 s ASP 96 N 1.87 6.78 0.00 0.00 2.15 -1.26 -1.41 116.67 124.80 2af2 s ASP 96 Ca 0.12 0.92 -0.01 0.00 0.43 0.00 0.00 52.55 54.01 2af2 s ASP 96 Cb -0.17 -2.30 -0.01 0.00 -0.30 0.00 0.00 42.92 40.14 2af2 s ASP 96 CO 0.14 0.10 0.02 0.54 -0.17 0.00 0.00 175.17 175.79 2af2 s VAL 97 N 0.07 0.06 -0.23 1.11 0.11 -0.23 -4.74 120.40 116.54 2af2 s VAL 97 Ca 0.26 -0.51 -0.04 0.00 -2.93 0.00 0.00 61.98 58.77 2af2 s VAL 97 Cb -0.16 -0.20 0.09 0.00 -1.53 0.00 0.00 36.38 34.58 2af2 s VAL 97 CO 0.12 -0.28 0.18 -0.94 -3.33 0.00 0.00 175.10 170.85 2af2 s SER 98 N -0.85 2.26 0.10 3.54 1.04 -1.26 -1.20 113.70 117.33 2af2 s SER 98 Ca -0.09 -0.71 0.04 0.00 0.48 0.00 0.00 55.95 55.67 2af2 s SER 98 Cb -0.06 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 2af2 s SER 98 CO -0.00 -0.37 0.05 -0.63 0.98 0.00 0.00 173.24 173.26 2af2 s ILE 99 N 2.22 4.27 -0.06 -1.02 1.01 0.43 -5.00 121.20 123.05 2af2 s ILE 99 Ca 0.07 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.73 2af2 s ILE 99 Cb -0.16 -3.07 0.02 0.00 0.01 0.00 0.00 42.46 39.27 2af2 s ILE 99 CO -0.22 0.08 0.16 -0.70 0.00 0.00 0.00 174.94 174.27 2af2 s GLU 100 N -2.47 0.18 0.00 2.79 2.12 -1.26 0.36 118.70 120.41 2af2 s GLU 100 Ca 0.28 0.26 -0.25 0.00 0.36 0.00 0.00 54.97 55.62 2af2 s GLU 100 Cb -0.12 0.05 0.06 0.00 0.26 0.00 0.00 34.13 34.38 2af2 s GLU 100 CO 0.20 -0.05 0.56 0.34 -0.54 0.00 0.00 175.26 175.78 2af2 s ASP 101 N 0.28 -0.50 -0.53 -1.70 2.15 -0.85 -4.99 116.67 110.52 2af2 s ASP 101 Ca -0.02 0.39 0.05 0.00 0.43 0.00 0.00 52.55 53.40 2af2 s ASP 101 Cb -0.03 0.49 0.38 0.00 -0.30 0.00 0.00 42.92 43.46 2af2 s ASP 101 CO -0.01 -0.64 1.06 -1.54 -0.17 0.00 0.00 175.17 173.87 2af2 n SER 102 N 0.72 4.72 0.00 -0.34 3.41 -1.26 -1.03 113.62 119.83 2af2 n SER 102 Ca -0.19 -3.71 0.00 0.00 -0.26 0.00 0.00 58.87 54.71 2af2 n SER 102 Cb 0.58 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 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 -0.36 0.00 -2.74 -3.33 3.14 -1.26 -4.87 118.33 108.91 2af2 n VAL 103 Ca 0.35 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.40 2af2 n VAL 103 Cb 0.51 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.23 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 -0.73 4.22 0.19 1.55 -0.00 -1.26 -5.03 121.20 120.13 2af2 s ILE 104 Ca 0.00 1.38 -0.20 0.00 -0.00 0.00 0.00 60.65 61.83 2af2 s ILE 104 Cb 0.00 -3.56 0.05 0.00 -0.00 0.00 0.00 42.46 38.95 2af2 s ILE 104 CO 0.00 -0.30 0.57 -0.94 -0.00 0.00 0.00 174.94 174.28 2af2 s SER 105 N -2.13 -0.39 -0.24 4.36 1.04 -1.26 -4.31 113.70 110.78 2af2 s SER 105 Ca 0.63 -0.27 -0.04 0.00 0.48 0.00 0.00 55.95 56.76 2af2 s SER 105 Cb -0.11 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 2af2 s SER 105 CO 0.15 -1.04 2.91 0.18 0.98 0.00 0.00 173.24 176.42 2af2 n LEU 106 N -0.36 5.94 -0.10 2.42 4.32 -1.26 -4.23 117.00 123.72 2af2 n LEU 106 Ca -0.13 -3.51 0.15 0.00 -0.02 0.00 0.00 56.01 52.51 2af2 n LEU 106 Cb 0.63 -1.27 0.84 0.00 -1.62 0.00 0.00 43.42 42.01 2af2 n LEU 106 CO 0.14 1.59 1.05 -0.24 -1.22 0.00 0.00 177.39 178.72 2af2 n SER 107 N 1.43 0.32 0.00 -1.43 2.88 -1.26 -4.88 113.62 110.68 2af2 n SER 107 Ca 0.40 -1.04 0.00 0.00 -1.33 0.00 0.00 58.87 56.90 2af2 n SER 107 Cb 0.68 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 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 1.06 1.90 0.00 0.46 0.00 -1.23 -4.85 105.19 102.53 2af2 n GLY 108 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2af2 n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2af2 n ASP 109 N 0.00 0.00 -0.69 1.61 2.03 -1.24 -4.35 116.55 113.91 2af2 n ASP 109 Ca 0.00 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.41 2af2 n ASP 109 Cb 0.00 0.00 0.30 0.00 -0.72 0.00 0.00 41.12 40.70 2af2 n ASP 109 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2af2 n HIS 110 N 0.00 0.33 0.00 -0.67 8.25 -1.26 -4.65 115.22 117.22 2af2 n HIS 110 Ca 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 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 0.58 0.00 0.02 0.41 3.41 -1.26 -4.71 113.62 112.08 2af2 n SER 111 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2af2 n SER 111 Cb 0.37 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.42 0.00 -3.15 -1.33 -5.35 -1.26 -4.73 119.36 101.13 2af2 n ILE 112 Ca 0.00 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.13 2af2 n ILE 112 Cb 0.00 -0.02 -0.06 0.00 -1.74 0.00 0.00 39.64 37.82 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 -2.00 4.63 0.00 7.28 1.09 -1.26 -3.40 121.20 127.54 2af2 s ILE 113 Ca 0.00 1.15 0.00 0.00 -1.10 0.00 0.00 60.65 60.70 2af2 s ILE 113 Cb 0.00 -3.79 0.00 0.00 -1.06 0.00 0.00 42.46 37.61 2af2 s ILE 113 CO 0.00 0.14 0.00 0.61 -0.10 0.00 0.00 174.94 175.59 2af2 n GLY 114 N 0.53 2.58 3.95 6.18 0.00 0.06 -3.53 105.19 114.97 2af2 n GLY 114 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 1.26 -0.13 1.61 0.52 -1.22 -1.14 118.95 119.85 2af2 s ARG 115 Ca 0.00 -0.66 -0.03 0.00 -0.52 0.00 0.00 55.73 54.52 2af2 s ARG 115 Cb 0.00 -2.08 -0.03 0.00 0.52 0.00 0.00 34.95 33.36 2af2 s ARG 115 CO 0.00 -1.88 -0.03 0.99 0.02 0.00 0.00 175.30 174.40 2af2 s THR 116 N -3.51 3.96 -0.29 0.02 2.01 0.33 -2.72 115.64 115.44 2af2 s THR 116 Ca 0.69 -0.35 -0.10 0.00 0.31 0.00 0.00 61.69 62.24 2af2 s THR 116 Cb -0.05 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 2af2 s THR 116 CO 0.48 0.53 0.16 -0.22 -0.69 0.00 0.00 174.62 174.89 2af2 s LEU 117 N -0.09 4.01 -0.14 4.42 2.96 -1.26 -0.17 118.68 128.41 2af2 s LEU 117 Ca 0.02 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 2af2 s LEU 117 Cb -0.13 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 2af2 s LEU 117 CO 0.02 -0.12 -0.09 0.54 -1.32 0.00 0.00 176.35 175.38 2af2 s VAL 118 N 1.69 3.37 0.19 1.68 0.11 -0.03 -3.84 120.40 123.56 2af2 s VAL 118 Ca 0.06 -0.54 -0.15 0.00 -2.93 0.00 0.00 61.98 58.42 2af2 s VAL 118 Cb -0.16 -2.44 -0.07 0.00 -1.53 0.00 0.00 36.38 32.17 2af2 s VAL 118 CO 0.08 0.51 0.61 0.54 -3.33 0.00 0.00 175.10 173.51 2af2 s VAL 119 N 0.37 4.79 0.27 2.04 0.11 -0.83 -2.07 120.40 125.08 2af2 s VAL 119 Ca -0.08 0.89 0.06 0.00 -2.93 0.00 0.00 61.98 59.92 2af2 s VAL 119 Cb -0.15 -3.73 -0.03 0.00 -1.53 0.00 0.00 36.38 30.94 2af2 s VAL 119 CO 0.05 0.15 0.31 -1.00 -3.33 0.00 0.00 175.10 171.28 2af2 s HIS 120 N -1.57 3.20 0.21 1.54 3.76 0.81 -0.45 115.29 122.78 2af2 s HIS 120 Ca 0.42 -0.12 0.05 0.00 -0.15 0.00 0.00 55.06 55.26 2af2 s HIS 120 Cb -0.14 -1.61 0.15 0.00 1.11 0.00 0.00 32.58 32.08 2af2 s HIS 120 CO 0.20 0.36 1.49 1.49 -0.85 0.00 0.00 174.74 177.42 2af2 h GLU 121 N 1.25 0.15 0.00 1.40 4.22 -1.41 -3.35 114.58 116.84 2af2 h GLU 121 Ca -0.49 -0.13 -0.51 0.00 0.08 0.00 0.00 59.36 58.31 2af2 h GLU 121 Cb 1.24 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 30.40 2af2 h GLU 121 CO 0.59 0.82 -0.44 1.63 -2.18 0.00 0.00 179.01 179.43 2af2 n LYS 122 N -3.74 0.57 -1.68 1.92 4.76 -0.89 -4.83 118.16 114.26 2af2 n LYS 122 Ca -0.02 -3.21 -0.45 0.00 -2.87 0.00 0.00 58.31 51.76 2af2 n LYS 122 Cb 0.71 1.86 -0.04 0.00 -1.84 0.00 0.00 35.03 35.72 2af2 n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2af2 n ALA 123 N -1.15 1.75 -1.82 7.82 0.00 0.20 -0.59 120.51 126.72 2af2 n ALA 123 Ca -0.14 0.42 -0.33 0.00 0.00 0.00 0.00 53.44 53.39 2af2 n ALA 123 Cb 0.57 -2.42 -0.04 0.00 0.00 0.00 0.00 19.45 17.56 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 1.31 6.65 0.41 0.00 -4.77 -1.26 -3.78 116.67 115.22 2af2 s ASP 124 Ca 0.79 1.66 0.28 0.00 -3.30 0.00 0.00 52.55 51.98 2af2 s ASP 124 Cb -0.62 -2.53 1.00 0.00 -1.09 0.00 0.00 42.92 39.68 2af2 s ASP 124 CO 0.37 -0.57 1.82 -0.78 0.70 0.00 0.00 175.17 176.71 2af2 h ASP 125 N 1.27 0.00 -5.40 2.11 3.58 -1.14 -3.47 116.42 113.36 2af2 h ASP 125 Ca -0.48 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 56.62 2af2 h ASP 125 Cb 1.19 0.00 0.13 0.00 1.72 0.00 0.00 39.33 42.37 2af2 h ASP 125 CO 0.61 0.00 -0.64 0.18 -2.88 0.00 0.00 179.24 176.51 2af2 n LEU 126 N -2.76 -3.40 0.00 2.28 4.77 -1.26 -4.75 117.00 111.88 2af2 n LEU 126 Ca 0.02 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 2af2 n LEU 126 Cb 0.34 -2.83 0.00 0.00 -2.33 0.00 0.00 43.42 38.60 2af2 n LEU 126 CO 0.27 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 2af2 n GLY 127 N -1.74 -1.73 2.08 -0.72 0.00 -1.26 -3.85 105.19 97.98 2af2 n GLY 127 Ca -0.04 0.74 -0.03 0.00 0.00 0.00 0.00 46.02 46.69 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 0.00 0.86 0.09 1.61 2.85 -1.25 -2.76 118.16 119.56 2af2 n LYS 128 Ca 0.00 -1.00 0.05 0.00 -1.05 0.00 0.00 58.31 56.31 2af2 n LYS 128 Cb 0.00 0.41 0.25 0.00 -0.65 0.00 0.00 35.03 35.04 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 -0.98 -0.56 0.00 2.58 0.00 -1.26 -4.73 105.19 100.23 2af2 n GLY 129 Ca -0.18 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.32 0.57 3.84 -0.02 0.00 -1.26 -5.10 105.19 101.89 2af2 n GLY 130 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 5.13 0.14 1.61 4.22 -1.26 -5.04 114.94 119.74 2af2 s ASN 131 Ca 0.00 -0.61 -0.18 0.00 -2.14 0.00 0.00 52.86 49.93 2af2 s ASN 131 Cb 0.00 -0.82 0.01 0.00 1.28 0.00 0.00 41.25 41.72 2af2 s ASN 131 CO 0.00 -0.44 1.74 -0.08 -2.04 0.00 0.00 177.10 176.28 2af2 h GLU 132 N 1.22 0.16 -1.08 3.55 4.81 -2.01 -2.59 114.58 118.64 2af2 h GLU 132 Ca -0.44 -0.01 0.29 0.00 -0.13 0.00 0.00 59.36 59.08 2af2 h GLU 132 Cb 1.26 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.52 2af2 h GLU 132 CO 0.59 0.11 0.72 0.93 -0.73 0.00 0.00 179.01 180.62 2af2 h GLU 133 N 0.17 0.26 -0.19 1.92 3.07 -1.96 0.19 114.58 118.04 2af2 h GLU 133 Ca 0.12 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 59.02 2af2 h GLU 133 Cb 0.12 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 2af2 h GLU 133 CO -0.16 0.17 0.16 0.66 -1.40 0.00 0.00 179.01 178.44 2af2 h SER 134 N 0.27 0.00 0.00 1.42 4.64 -1.76 -0.60 113.55 117.51 2af2 h SER 134 Ca 0.59 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.85 2af2 h SER 134 Cb 1.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.83 2af2 h SER 134 CO -0.22 0.00 -1.51 1.07 -0.87 0.00 0.00 176.83 175.30 2af2 n THR 135 N -4.21 0.24 0.24 2.95 5.66 0.19 -3.73 114.28 115.62 2af2 n THR 135 Ca 0.02 -0.28 0.12 0.00 -3.05 0.00 0.00 64.05 60.85 2af2 n THR 135 Cb 0.29 -0.12 0.75 0.00 -1.55 0.00 0.00 70.33 69.70 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 -0.60 -3.38 116.57 117.32 2af2 h LYS 136 Ca -0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2af2 h LYS 136 Cb 0.87 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2af2 h LYS 136 CO 0.01 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.44 2af2 n THR 137 N -4.23 0.00 -2.02 1.00 -2.24 -0.73 -4.83 114.28 101.23 2af2 n THR 137 Ca -0.01 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.74 2af2 n THR 137 Cb 0.16 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.36 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 1.53 0.76 5.36 3.38 0.00 -1.21 -4.72 105.19 110.28 2af2 n GLY 138 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.02 0.00 0.00 1.61 2.85 -0.31 -0.54 115.26 118.89 2af2 n ASN 139 Ca -0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 2af2 n ASN 139 Cb 0.63 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.65 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 2.22 0.00 0.00 5.20 0.00 -1.25 -4.37 120.51 122.31 2af2 n ALA 140 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2af2 n ALA 140 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.63 1.20 2.92 0.00 0.00 -1.26 -2.10 105.19 104.31 2af2 n GLY 141 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 2.97 -1.14 -4.95 1.61 2.88 -1.26 -4.99 113.62 108.74 2af2 n SER 142 Ca 0.00 -1.49 -0.23 0.00 -1.33 0.00 0.00 58.87 55.82 2af2 n SER 142 Cb 0.00 1.83 0.01 0.00 -0.75 0.00 0.00 64.21 65.30 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 -2.03 3.02 0.00 -1.46 3.03 -1.26 -1.59 118.95 118.65 2af2 s ARG 143 Ca 0.19 -0.48 0.00 0.00 2.03 0.00 0.00 55.73 57.47 2af2 s ARG 143 Cb -0.02 -2.53 0.00 0.00 -1.03 0.00 0.00 34.95 31.37 2af2 s ARG 143 CO 0.02 -0.33 0.00 -0.11 -1.13 0.00 0.00 175.30 173.75 2af2 n LEU 144 N -2.13 0.00 -3.81 -1.89 0.00 0.40 -3.91 117.00 105.66 2af2 n LEU 144 Ca 0.02 0.00 -0.54 0.00 0.00 0.00 0.00 56.01 55.49 2af2 n LEU 144 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.90 2af2 n LEU 144 CO 0.48 0.00 1.40 0.00 0.00 0.00 0.00 177.39 179.27 2af2 n ALA 145 N -3.00 -0.10 -2.65 1.96 0.00 -1.24 -4.44 120.51 111.03 2af2 n ALA 145 Ca 0.00 0.22 -0.34 0.00 0.00 0.00 0.00 53.44 53.32 2af2 n ALA 145 Cb 0.00 -1.79 -0.11 0.00 0.00 0.00 0.00 19.45 17.56 2af2 n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2af2 n GLY 147 N 2.33 2.51 3.32 0.00 0.00 -1.25 -0.90 105.19 111.21 2af2 n GLY 147 Ca -0.18 -1.69 -0.17 0.00 0.00 0.00 0.00 46.02 43.98 2af2 n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2af2 s VAL 148 N -2.92 1.56 -0.04 1.61 1.01 -1.25 -4.40 120.40 115.97 2af2 s VAL 148 Ca 0.29 -2.16 0.01 0.00 0.00 0.00 0.00 61.98 60.12 2af2 s VAL 148 Cb 0.00 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.38 2af2 s VAL 148 CO 0.21 -0.61 -0.04 -0.63 0.00 0.00 0.00 175.10 174.03 2af2 s ILE 149 N -3.08 0.47 0.00 2.22 -1.09 -1.10 -3.91 121.20 114.71 2af2 s ILE 149 Ca 0.21 -0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 2af2 s ILE 149 Cb 0.01 -0.50 0.00 0.00 -1.58 0.00 0.00 42.46 40.39 2af2 s ILE 149 CO 0.05 0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.58 2af2 n GLY 150 N 3.96 3.15 3.57 6.18 0.00 -1.26 -0.76 105.19 120.03 2af2 n GLY 150 Ca -0.25 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.32 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 2.40 -0.07 -0.09 -0.61 -5.25 -1.26 -4.56 121.20 111.76 2af2 s ILE 151 Ca 0.00 0.02 0.02 0.00 -0.99 0.00 0.00 60.65 59.70 2af2 s ILE 151 Cb 0.00 -0.93 -0.25 0.00 2.95 0.00 0.00 42.46 44.24 2af2 s ILE 151 CO 0.00 0.01 0.48 0.00 -1.79 0.00 0.00 174.94 173.64 2af2 n ALA 152 N 4.39 1.16 -0.88 2.27 0.00 -0.47 -4.96 120.51 122.03 2af2 n ALA 152 Ca -0.20 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.56 2af2 n ALA 152 Cb 0.58 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.29 2af2 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44