#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 1.81 -3.15 0.00 -2.24 -1.26 -4.39 114.28 105.05 2af2 n THR 2 Ca 0.00 -0.60 0.05 0.00 -2.27 0.00 0.00 64.05 61.22 2af2 n THR 2 Cb 0.00 -1.53 -0.00 0.00 -2.10 0.00 0.00 70.33 66.70 2af2 n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2af2 s LYS 3 N 0.65 0.41 1.03 -0.78 1.02 -1.25 -4.12 119.74 116.70 2af2 s LYS 3 Ca 0.14 0.47 -0.16 0.00 0.02 0.00 0.00 55.97 56.43 2af2 s LYS 3 Cb 0.07 0.23 0.21 0.00 -0.52 0.00 0.00 37.83 37.82 2af2 s LYS 3 CO 0.00 -0.70 1.20 0.00 -0.92 0.00 0.00 175.35 174.93 2af2 s ALA 4 N 2.88 1.57 -0.23 5.17 0.00 0.77 -0.84 121.76 131.08 2af2 s ALA 4 Ca 0.16 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 51.10 2af2 s ALA 4 Cb -0.08 -2.87 0.11 0.00 0.00 0.00 0.00 23.12 20.28 2af2 s ALA 4 CO -0.23 -2.80 0.46 0.54 0.00 0.00 0.00 175.76 173.72 2af2 s VAL 5 N -3.44 -0.71 -0.43 0.00 0.11 0.54 -3.56 120.40 112.91 2af2 s VAL 5 Ca 0.70 0.09 -0.13 0.00 -2.93 0.00 0.00 61.98 59.71 2af2 s VAL 5 Cb -0.08 -0.76 0.05 0.00 -1.53 0.00 0.00 36.38 34.06 2af2 s VAL 5 CO 0.54 0.02 0.31 0.00 -3.33 0.00 0.00 175.10 172.64 2af2 s ALA 6 N 2.66 3.43 -1.26 1.54 0.00 0.17 -1.49 121.76 126.80 2af2 s ALA 6 Ca 0.02 -1.95 -0.20 0.00 0.00 0.00 0.00 51.96 49.84 2af2 s ALA 6 Cb -0.13 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.15 2af2 s ALA 6 CO -0.15 -1.58 1.82 0.28 0.00 0.00 0.00 175.76 176.13 2af2 n VAL 7 N 5.09 3.18 -2.41 0.00 0.31 -1.20 -2.93 118.33 120.38 2af2 n VAL 7 Ca -0.12 -3.30 -0.38 0.00 -0.01 0.00 0.00 64.34 60.53 2af2 n VAL 7 Cb 0.45 -2.28 -0.03 0.00 -0.91 0.00 0.00 33.84 31.06 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 6.83 3.35 -0.27 7.52 1.02 -0.93 -3.83 118.68 132.37 2af2 s LEU 8 Ca 0.59 -0.98 -0.09 0.00 0.02 0.00 0.00 54.13 53.67 2af2 s LEU 8 Cb 0.02 -2.56 0.12 0.00 0.02 0.00 0.00 46.19 43.79 2af2 s LEU 8 CO 0.10 -1.90 0.59 -0.75 0.02 0.00 0.00 176.35 174.41 2af2 s LYS 9 N 5.71 0.51 0.00 1.70 2.20 -0.51 -1.13 119.74 128.22 2af2 s LYS 9 Ca 0.51 1.33 0.00 0.00 -0.36 0.00 0.00 55.97 57.45 2af2 s LYS 9 Cb -0.04 0.72 0.00 0.00 -1.51 0.00 0.00 37.83 37.00 2af2 s LYS 9 CO -0.02 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.16 2af2 n GLY 10 N 5.43 1.60 2.74 5.54 0.00 -1.26 -4.67 105.19 114.58 2af2 n GLY 10 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.00 1.42 0.00 1.61 1.11 -1.26 -5.06 116.67 113.49 2af2 s ASP 11 Ca 0.00 -0.25 0.00 0.00 0.18 0.00 0.00 52.55 52.48 2af2 s ASP 11 Cb 0.00 0.36 0.00 0.00 1.07 0.00 0.00 42.92 44.35 2af2 s ASP 11 CO 0.00 -0.33 0.00 0.61 1.18 0.00 0.00 175.17 176.63 2af2 n GLY 12 N 5.32 1.63 0.54 0.21 0.00 -1.26 -4.96 105.19 106.67 2af2 n GLY 12 Ca -0.05 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.82 0.42 -4.51 1.61 -0.04 -1.26 -4.72 135.00 124.68 2af2 n PRO 13 Ca 0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 2af2 n PRO 13 Cb 0.00 -1.22 -0.17 0.00 -0.04 0.00 0.00 33.50 32.08 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 -0.88 1.17 0.25 0.52 1.01 -1.26 -4.58 120.40 116.63 2af2 s VAL 14 Ca 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 2af2 s VAL 14 Cb 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 2af2 s VAL 14 CO 0.00 0.37 0.29 -1.10 0.00 0.00 0.00 175.10 174.66 2af2 s GLN 15 N 0.80 1.48 0.20 2.72 1.11 -1.01 -4.61 119.66 120.35 2af2 s GLN 15 Ca -0.12 -1.62 -0.15 0.00 0.01 0.00 0.00 55.36 53.49 2af2 s GLN 15 Cb -0.15 0.36 0.01 0.00 -1.01 0.00 0.00 33.01 32.21 2af2 s GLN 15 CO 0.02 -0.56 0.46 0.20 0.01 0.00 0.00 175.29 175.43 2af2 s GLY 16 N -3.17 0.15 -0.34 3.09 0.00 -0.28 -0.70 107.32 106.07 2af2 s GLY 16 Ca 0.34 -0.49 0.16 0.00 0.00 0.00 0.00 44.72 44.73 2af2 s GLY 16 CO 0.15 -0.46 0.89 0.29 0.00 0.00 0.00 173.10 173.97 2af2 n ILE 17 N -0.32 0.66 -2.60 0.90 -5.35 -0.54 -2.18 119.36 109.93 2af2 n ILE 17 Ca -0.08 -3.52 -0.42 0.00 -0.27 0.00 0.00 62.75 58.46 2af2 n ILE 17 Cb 0.62 0.38 -0.03 0.00 -1.74 0.00 0.00 39.64 38.88 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 -2.93 4.02 0.49 7.28 -1.09 -1.15 -4.32 121.20 123.51 2af2 s ILE 18 Ca 0.31 0.83 -0.12 0.00 -2.23 0.00 0.00 60.65 59.44 2af2 s ILE 18 Cb 0.43 -4.73 -0.06 0.00 -1.58 0.00 0.00 42.46 36.52 2af2 s ILE 18 CO 0.00 -1.36 0.90 0.20 -1.23 0.00 0.00 174.94 173.45 2af2 s ASN 19 N 3.00 6.47 -0.30 3.58 0.02 -0.07 -0.65 114.94 126.99 2af2 s ASN 19 Ca 0.42 1.31 -0.02 0.00 -1.02 0.00 0.00 52.86 53.55 2af2 s ASN 19 Cb -0.08 -2.41 0.12 0.00 0.02 0.00 0.00 41.25 38.91 2af2 s ASN 19 CO 0.24 -0.58 0.22 -0.36 0.02 0.00 0.00 177.10 176.65 2af2 s PHE 20 N -2.66 0.01 0.16 2.20 0.40 -1.23 -1.76 117.98 115.10 2af2 s PHE 20 Ca 0.54 -0.70 -0.30 0.00 -0.60 0.00 0.00 56.93 55.87 2af2 s PHE 20 Cb -0.10 -0.69 -0.07 0.00 0.51 0.00 0.00 43.02 42.67 2af2 s PHE 20 CO 0.37 -0.88 0.99 -2.00 0.70 0.00 0.00 175.22 174.41 2af2 s GLU 21 N 2.01 4.71 0.22 0.44 -6.30 -0.94 -0.16 118.70 118.68 2af2 s GLU 21 Ca 0.11 1.54 -0.04 0.00 -2.50 0.00 0.00 54.97 54.08 2af2 s GLU 21 Cb -0.16 -3.32 0.02 0.00 0.00 0.00 0.00 34.13 30.66 2af2 s GLU 21 CO -0.28 0.25 0.36 0.94 0.02 0.00 0.00 175.26 176.55 2af2 n GLN 22 N 2.34 0.52 0.00 4.30 7.27 -1.26 -0.79 117.38 129.76 2af2 n GLN 22 Ca 0.01 -1.55 0.00 0.00 0.07 0.00 0.00 57.00 55.54 2af2 n GLN 22 Cb 0.48 1.63 0.00 0.00 2.41 0.00 0.00 30.24 34.76 2af2 n GLN 22 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2af2 n LYS 23 N -0.34 2.30 -2.45 3.69 0.00 -1.26 -4.06 118.16 116.04 2af2 n LYS 23 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.18 2af2 n LYS 23 Cb 0.35 -0.19 0.00 0.00 -0.00 0.00 0.00 35.03 35.19 2af2 n LYS 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2af2 n GLU 24 N 0.00 1.10 0.18 -1.58 4.71 -1.26 -4.98 120.64 118.81 2af2 n GLU 24 Ca 0.00 -1.50 0.08 0.00 -0.01 0.00 0.00 57.16 55.74 2af2 n GLU 24 Cb 0.00 0.13 0.10 0.00 -1.01 0.00 0.00 31.44 30.66 2af2 n GLU 24 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2af2 h SER 25 N 0.26 0.00 0.00 1.62 4.64 -2.01 -3.43 113.55 114.63 2af2 h SER 25 Ca -0.15 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.98 2af2 h SER 25 Cb 0.56 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.51 2af2 h SER 25 CO 0.23 0.19 -0.28 -0.46 -0.87 0.00 0.00 176.83 175.64 2af2 n ASN 26 N -3.09 -1.66 -4.78 4.97 6.94 -1.26 -4.59 115.26 111.78 2af2 n ASN 26 Ca 0.02 -2.29 -0.29 0.00 -0.02 0.00 0.00 54.58 52.01 2af2 n ASN 26 Cb 0.61 0.88 -0.06 0.00 -2.36 0.00 0.00 39.78 38.85 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 -1.08 2.64 0.66 4.83 0.00 -1.26 -5.05 107.32 108.06 2af2 s GLY 27 Ca 0.16 -1.21 -0.13 0.00 0.00 0.00 0.00 44.72 43.54 2af2 s GLY 27 CO -0.10 -2.05 1.06 2.56 0.00 0.00 0.00 173.10 174.57 2af2 s PRO 28 N -3.98 3.08 0.06 2.90 0.04 -1.26 -4.63 135.00 131.21 2af2 s PRO 28 Ca 0.25 1.05 0.05 0.00 0.04 0.00 0.00 61.00 62.38 2af2 s PRO 28 Cb 0.02 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2af2 s PRO 28 CO 0.14 -0.99 -0.13 0.08 0.04 0.00 0.00 177.00 176.13 2af2 s VAL 29 N -2.82 1.04 -0.34 -0.36 1.01 0.52 -4.63 120.40 114.82 2af2 s VAL 29 Ca 0.60 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2af2 s VAL 29 Cb -0.15 -1.00 0.09 0.00 0.00 0.00 0.00 36.38 35.32 2af2 s VAL 29 CO 0.48 -0.21 0.07 -0.54 0.00 0.00 0.00 175.10 174.89 2af2 s LYS 30 N -1.63 1.98 -0.23 2.72 3.01 0.03 -0.54 119.74 125.07 2af2 s LYS 30 Ca -0.03 -1.64 -0.29 0.00 -1.01 0.00 0.00 55.97 53.00 2af2 s LYS 30 Cb -0.10 -3.28 0.01 0.00 -1.01 0.00 0.00 37.83 33.45 2af2 s LYS 30 CO 0.02 -0.86 1.03 0.08 0.51 0.00 0.00 175.35 176.13 2af2 s VAL 31 N 1.09 4.68 0.23 3.17 1.01 0.15 -2.21 120.40 128.52 2af2 s VAL 31 Ca 0.04 2.00 -0.15 0.00 0.00 0.00 0.00 61.98 63.86 2af2 s VAL 31 Cb -0.21 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.88 2af2 s VAL 31 CO -0.05 -0.19 0.51 -1.66 0.00 0.00 0.00 175.10 173.72 2af2 s TRP 32 N 3.20 0.13 0.00 5.22 -2.14 -0.72 -0.59 118.94 124.03 2af2 s TRP 32 Ca 0.44 -0.50 0.00 0.00 2.66 0.00 0.00 56.10 58.70 2af2 s TRP 32 Cb -0.15 0.31 0.00 0.00 -3.10 0.00 0.00 33.47 30.53 2af2 s TRP 32 CO 0.06 -0.98 0.00 0.41 -2.66 0.00 0.00 176.95 173.78 2af2 n GLY 33 N -0.37 -0.34 3.73 3.67 0.00 -0.94 -0.89 105.19 110.05 2af2 n GLY 33 Ca -0.05 -2.06 -0.08 0.00 0.00 0.00 0.00 46.02 43.82 2af2 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2af2 s SER 34 N -4.00 -0.15 -0.05 1.61 1.04 -1.26 -0.64 113.70 110.25 2af2 s SER 34 Ca 0.00 -0.80 0.05 0.00 0.48 0.00 0.00 55.95 55.68 2af2 s SER 34 Cb 0.00 0.67 -0.00 0.00 0.10 0.00 0.00 66.02 66.78 2af2 s SER 34 CO 0.00 -1.26 -0.19 -0.63 0.98 0.00 0.00 173.24 172.14 2af2 s ILE 35 N -3.89 1.57 -0.01 -1.02 1.09 -0.21 -1.46 121.20 117.27 2af2 s ILE 35 Ca 0.17 -0.79 -0.13 0.00 -1.10 0.00 0.00 60.65 58.81 2af2 s ILE 35 Cb -0.03 -1.35 0.02 0.00 -1.06 0.00 0.00 42.46 40.04 2af2 s ILE 35 CO 0.08 0.45 0.26 -1.59 -0.10 0.00 0.00 174.94 174.04 2af2 s LYS 36 N 0.05 0.62 0.00 2.79 0.00 0.12 -0.55 119.74 122.77 2af2 s LYS 36 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 55.97 55.65 2af2 s LYS 36 Cb -0.12 0.27 0.00 0.00 0.00 0.00 0.00 37.83 37.98 2af2 s LYS 36 CO 0.03 -0.17 0.00 0.41 0.00 0.00 0.00 175.35 175.62 2af2 n GLY 37 N 1.29 0.84 3.76 0.59 0.00 -0.33 -2.41 105.19 108.92 2af2 n GLY 37 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 2af2 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2af2 s LEU 38 N 0.00 2.54 0.52 0.99 1.43 -0.94 -4.79 118.68 118.43 2af2 s LEU 38 Ca 0.00 1.48 -0.14 0.00 -1.03 0.00 0.00 54.13 54.44 2af2 s LEU 38 Cb 0.00 -4.04 -0.07 0.00 0.03 0.00 0.00 46.19 42.11 2af2 s LEU 38 CO 0.00 -2.25 0.95 0.28 0.23 0.00 0.00 176.35 175.56 2af2 s THR 39 N -3.01 4.62 0.46 5.49 -1.32 -1.26 -4.31 115.64 116.32 2af2 s THR 39 Ca 0.62 1.01 -0.23 0.00 -1.21 0.00 0.00 61.69 61.88 2af2 s THR 39 Cb -0.16 -3.76 -0.09 0.00 -1.51 0.00 0.00 72.50 66.98 2af2 s THR 39 CO 0.56 -0.76 0.97 1.21 -2.21 0.00 0.00 174.62 174.39 2af2 n GLU 40 N -1.79 1.22 0.00 7.08 2.13 -1.26 -4.46 120.64 123.57 2af2 n GLU 40 Ca 0.06 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.32 2af2 n GLU 40 Cb 0.54 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 30.20 2af2 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2af2 n GLY 41 N 1.23 -2.93 3.79 8.31 0.00 -0.95 -4.89 105.19 109.75 2af2 n GLY 41 Ca 0.10 -2.10 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 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 4.09 -0.14 0.99 1.02 -1.26 -1.47 118.68 121.91 2af2 s LEU 42 Ca 0.00 1.96 -0.06 0.00 0.02 0.00 0.00 54.13 56.06 2af2 s LEU 42 Cb 0.00 -4.27 0.06 0.00 0.02 0.00 0.00 46.19 42.00 2af2 s LEU 42 CO 0.00 -0.49 0.30 -1.00 0.02 0.00 0.00 176.35 175.18 2af2 s HIS 43 N -1.76 -0.47 0.64 0.29 3.76 0.12 -2.79 115.29 115.07 2af2 s HIS 43 Ca 0.59 1.04 -0.14 0.00 -0.15 0.00 0.00 55.06 56.40 2af2 s HIS 43 Cb -0.19 0.07 -0.01 0.00 1.11 0.00 0.00 32.58 33.56 2af2 s HIS 43 CO 0.24 -0.34 1.08 0.20 -0.85 0.00 0.00 174.74 175.07 2af2 s GLY 44 N 2.02 2.04 -0.21 -2.22 0.00 0.22 0.08 107.32 109.24 2af2 s GLY 44 Ca -0.03 0.39 -0.20 0.00 0.00 0.00 0.00 44.72 44.88 2af2 s GLY 44 CO -0.10 0.72 0.57 -0.11 0.00 0.00 0.00 173.10 174.18 2af2 s PHE 45 N -2.53 -0.63 0.03 1.90 -0.71 -0.85 -0.26 117.98 114.94 2af2 s PHE 45 Ca 0.64 1.53 -0.19 0.00 -1.04 0.00 0.00 56.93 57.86 2af2 s PHE 45 Cb -0.17 0.22 0.04 0.00 -1.21 0.00 0.00 43.02 41.89 2af2 s PHE 45 CO 0.42 -0.30 0.42 -3.38 -1.34 0.00 0.00 175.22 171.04 2af2 s HIS 46 N 0.31 -0.29 -0.38 3.49 -3.43 -0.63 -3.50 115.29 110.86 2af2 s HIS 46 Ca -0.00 0.31 -0.15 0.00 -0.80 0.00 0.00 55.06 54.41 2af2 s HIS 46 Cb -0.04 0.22 0.00 0.00 -1.43 0.00 0.00 32.58 31.34 2af2 s HIS 46 CO 0.01 -0.55 0.34 0.08 -2.00 0.00 0.00 174.74 172.61 2af2 s VAL 47 N -2.24 5.19 0.38 -5.38 1.01 0.86 -1.36 120.40 118.86 2af2 s VAL 47 Ca -0.07 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.42 2af2 s VAL 47 Cb -0.01 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 2af2 s VAL 47 CO -0.01 -0.23 0.86 -1.38 0.00 0.00 0.00 175.10 174.35 2af2 s HIS 48 N 1.90 3.35 -1.93 5.22 -3.43 0.52 -4.44 115.29 116.48 2af2 s HIS 48 Ca 0.09 1.45 0.00 0.00 -0.80 0.00 0.00 55.06 55.80 2af2 s HIS 48 Cb -0.18 -2.72 0.00 0.00 -1.43 0.00 0.00 32.58 28.25 2af2 s HIS 48 CO 0.12 -0.01 0.33 -1.91 -2.00 0.00 0.00 174.74 171.26 2af2 n GLU 49 N -0.48 0.34 -3.99 -0.38 2.13 -1.26 -2.03 120.64 114.97 2af2 n GLU 49 Ca 0.05 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.56 2af2 n GLU 49 Cb 0.54 -1.01 -0.15 0.00 0.27 0.00 0.00 31.44 31.09 2af2 n GLU 49 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2af2 s PHE 50 N -1.93 3.62 -0.96 4.31 0.08 -1.26 -4.88 117.98 116.96 2af2 s PHE 50 Ca 0.00 -3.02 0.18 0.00 0.12 0.00 0.00 56.93 54.22 2af2 s PHE 50 Cb 0.00 -2.92 0.77 0.00 -0.57 0.00 0.00 43.02 40.30 2af2 s PHE 50 CO 0.00 -0.90 1.58 0.41 -0.10 0.00 0.00 175.22 176.21 2af2 n GLY 51 N 3.99 -1.13 3.68 4.36 0.00 -1.21 -4.00 105.19 110.88 2af2 n GLY 51 Ca 0.04 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2af2 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2af2 s ASP 52 N -3.10 6.95 -0.36 1.61 -1.08 -1.26 -4.87 116.67 114.56 2af2 s ASP 52 Ca 0.08 1.87 0.14 0.00 -0.52 0.00 0.00 52.55 54.13 2af2 s ASP 52 Cb 0.12 -2.55 0.42 0.00 -1.46 0.00 0.00 42.92 39.45 2af2 s ASP 52 CO 0.33 -0.69 1.08 -0.46 0.52 0.00 0.00 175.17 175.95 2af2 n ASN 53 N 5.81 0.15 0.00 -0.34 2.04 -1.26 -4.20 115.26 117.45 2af2 n ASN 53 Ca 0.13 -2.69 0.00 0.00 -0.44 0.00 0.00 54.58 51.58 2af2 n ASN 53 Cb 0.45 0.07 0.00 0.00 -2.53 0.00 0.00 39.78 37.77 2af2 n ASN 53 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2af2 n THR 54 N -0.20 0.00 -0.59 5.53 -2.24 -1.26 -4.43 114.28 111.09 2af2 n THR 54 Ca 0.06 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.83 2af2 n THR 54 Cb 0.81 -0.08 0.28 0.00 -2.10 0.00 0.00 70.33 69.24 2af2 n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2af2 n ALA 55 N -1.67 4.00 -0.66 6.98 0.00 -1.26 -5.04 120.51 122.85 2af2 n ALA 55 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.69 2af2 n ALA 55 Cb 0.19 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 3.29 0.08 0.00 0.00 -1.26 -1.83 105.19 105.60 2af2 n GLY 56 Ca 0.29 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.93 2.15 0.00 0.00 -1.04 -0.76 -4.12 114.28 108.58 2af2 n THR 58 Ca 0.02 -0.78 0.00 0.00 -2.04 0.00 0.00 64.05 61.24 2af2 n THR 58 Cb 0.16 -1.41 0.00 0.00 -1.82 0.00 0.00 70.33 67.25 2af2 n THR 58 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2af2 n SER 59 N 1.11 0.00 -4.92 8.00 3.41 -1.21 -4.61 113.62 115.39 2af2 n SER 59 Ca 0.08 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.41 2af2 n SER 59 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 2af2 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2af2 s ALA 60 N 0.00 3.87 0.00 7.33 0.00 0.04 -4.68 121.76 128.32 2af2 s ALA 60 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2af2 s ALA 60 Cb 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.16 2af2 s ALA 60 CO 0.00 0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.70 2af2 n GLY 61 N -0.42 2.26 3.91 0.00 0.00 -1.26 -4.28 105.19 105.40 2af2 n GLY 61 Ca -0.05 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 2af2 n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2af2 s PRO 62 N 0.00 2.99 -0.21 1.61 0.04 -1.26 -4.89 135.00 133.29 2af2 s PRO 62 Ca 0.00 -1.08 -0.04 0.00 0.04 0.00 0.00 61.00 59.92 2af2 s PRO 62 Cb 0.00 -2.66 0.07 0.00 0.04 0.00 0.00 34.50 31.95 2af2 s PRO 62 CO 0.00 0.19 0.07 -3.38 0.04 0.00 0.00 177.00 173.93 2af2 s HIS 63 N -2.18 0.66 0.77 0.56 -3.43 -1.26 -4.67 115.29 105.74 2af2 s HIS 63 Ca 0.40 -0.72 -0.14 0.00 -0.80 0.00 0.00 55.06 53.79 2af2 s HIS 63 Cb -0.08 -0.93 0.05 0.00 -1.43 0.00 0.00 32.58 30.19 2af2 s HIS 63 CO 0.28 -0.62 1.14 0.34 -2.00 0.00 0.00 174.74 173.88 2af2 n PHE 64 N 5.15 1.16 -3.78 0.38 7.35 -1.26 -4.99 117.46 121.47 2af2 n PHE 64 Ca -0.07 0.40 -0.28 0.00 -0.76 0.00 0.00 57.45 56.74 2af2 n PHE 64 Cb 0.47 -2.11 -0.11 0.00 0.35 0.00 0.00 39.48 38.07 2af2 n PHE 64 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 2af2 n ASN 65 N -2.71 3.26 0.31 -2.13 6.94 -1.26 -4.78 115.26 114.90 2af2 n ASN 65 Ca 0.14 -3.27 0.20 0.00 -0.02 0.00 0.00 54.58 51.63 2af2 n ASN 65 Cb 0.50 -0.75 1.02 0.00 -2.36 0.00 0.00 39.78 38.19 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 5.11 0.00 -0.00 -0.53 0.13 -1.95 -0.11 132.00 134.64 2af2 h PRO 66 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2af2 h PRO 66 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2af2 h PRO 66 CO 0.75 0.01 -0.03 1.28 -0.23 0.00 0.00 178.00 179.77 2af2 n LEU 67 N -3.13 0.35 -3.01 1.56 4.77 -1.26 -4.99 117.00 111.29 2af2 n LEU 67 Ca -0.02 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 2af2 n LEU 67 Cb 0.16 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.20 2af2 n LEU 67 CO 0.23 0.06 0.03 -0.24 -1.33 0.00 0.00 177.39 176.14 2af2 n SER 68 N -0.88 -5.73 -3.04 -1.43 2.88 -0.06 -5.02 113.62 100.34 2af2 n SER 68 Ca 0.19 -0.61 -0.08 0.00 -1.33 0.00 0.00 58.87 57.04 2af2 n SER 68 Cb 0.22 -4.56 0.02 0.00 -0.75 0.00 0.00 64.21 59.14 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 -4.27 2.05 0.88 -1.46 1.70 -1.26 -5.13 118.95 111.46 2af2 s ARG 69 Ca 0.37 -1.31 -0.11 0.00 -0.47 0.00 0.00 55.73 54.20 2af2 s ARG 69 Cb -0.05 0.58 0.12 0.00 -0.57 0.00 0.00 34.95 35.03 2af2 s ARG 69 CO 0.64 -0.96 1.09 0.15 -1.08 0.00 0.00 175.30 175.14 2af2 s LYS 70 N -2.35 1.41 1.10 3.89 3.01 -1.26 -4.83 119.74 120.72 2af2 s LYS 70 Ca 0.16 0.86 -0.12 0.00 -1.01 0.00 0.00 55.97 55.86 2af2 s LYS 70 Cb -0.05 -1.82 0.25 0.00 -1.01 0.00 0.00 37.83 35.20 2af2 s LYS 70 CO 0.10 -2.15 1.05 -1.58 0.51 0.00 0.00 175.35 173.28 2af2 s HIS 71 N -2.94 1.54 -5.00 3.18 5.65 -1.25 -2.77 115.29 113.70 2af2 s HIS 71 Ca 0.63 1.21 0.00 0.00 0.25 0.00 0.00 55.06 57.15 2af2 s HIS 71 Cb -0.18 -3.15 0.00 0.00 -1.18 0.00 0.00 32.58 28.07 2af2 s HIS 71 CO 0.57 -3.56 0.00 0.41 -0.65 0.00 0.00 174.74 171.51 2af2 n GLY 72 N 0.35 0.83 0.00 1.59 0.00 -1.26 -3.20 105.19 103.50 2af2 n GLY 72 Ca 0.04 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 2.63 0.27 -0.02 0.00 -1.07 -4.54 105.19 102.46 2af2 n GLY 73 Ca 0.00 -0.44 0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.89 -3.33 132.00 128.50 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 -3.00 0.49 -4.32 1.05 -0.00 -1.26 -5.08 118.16 106.03 2af2 n LYS 75 Ca 0.00 -0.09 -0.21 0.00 -0.00 0.00 0.00 58.31 58.02 2af2 n LYS 75 Cb 0.28 -0.46 -0.13 0.00 -0.00 0.00 0.00 35.03 34.73 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 -0.09 1.95 -0.01 -5.58 -1.08 -1.25 -5.05 116.67 105.55 2af2 s ASP 76 Ca 0.00 -0.56 0.21 0.00 -0.52 0.00 0.00 52.55 51.67 2af2 s ASP 76 Cb 0.00 -0.11 -0.24 0.00 -1.46 0.00 0.00 42.92 41.11 2af2 s ASP 76 CO 0.00 0.02 0.79 -1.84 0.52 0.00 0.00 175.17 174.66 2af2 n GLU 77 N 1.54 0.31 0.00 4.34 -0.00 -1.26 -2.58 120.64 122.98 2af2 n GLU 77 Ca -0.19 -0.04 0.00 0.00 -0.00 0.00 0.00 57.16 56.93 2af2 n GLU 77 Cb 0.54 -1.47 0.00 0.00 -0.00 0.00 0.00 31.44 30.51 2af2 n GLU 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2af2 n GLU 78 N -1.63 0.00 -0.44 3.44 1.02 -1.26 -5.03 120.64 116.74 2af2 n GLU 78 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2af2 n GLU 78 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.79 2af2 n GLU 78 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2af2 n ARG 79 N 0.00 0.00 -2.34 3.49 0.63 -1.12 -4.91 116.66 112.42 2af2 n ARG 79 Ca 0.00 0.44 -0.40 0.00 -0.92 0.00 0.00 57.85 56.97 2af2 n ARG 79 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 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 -0.11 3.33 0.55 -0.14 3.76 -1.23 -4.90 115.29 116.56 2af2 s HIS 80 Ca 0.00 1.59 0.31 0.00 -0.15 0.00 0.00 55.06 56.81 2af2 s HIS 80 Cb 0.00 -3.42 1.47 0.00 1.11 0.00 0.00 32.58 31.74 2af2 s HIS 80 CO 0.00 -1.06 1.87 -0.24 -0.85 0.00 0.00 174.74 174.46 2af2 h VAL 81 N 2.94 0.48 -0.32 -0.90 3.04 -1.90 -0.06 116.25 119.53 2af2 h VAL 81 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2af2 h VAL 81 Cb 1.22 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 2af2 h VAL 81 CO 0.66 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.83 2af2 n GLY 82 N -1.66 0.59 3.72 3.17 0.00 -1.26 -4.94 105.19 104.79 2af2 n GLY 82 Ca 0.16 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.12 6.86 0.56 1.61 1.01 -0.04 -0.10 116.67 125.45 2af2 s ASP 83 Ca 0.26 1.03 0.07 0.00 0.71 0.00 0.00 52.55 54.61 2af2 s ASP 83 Cb 0.13 -2.36 0.07 0.00 1.01 0.00 0.00 42.92 41.77 2af2 s ASP 83 CO 0.18 -0.07 0.56 0.18 0.21 0.00 0.00 175.17 176.24 2af2 n LEU 84 N 3.74 0.00 0.00 1.23 7.99 -1.23 -4.93 117.00 123.80 2af2 n LEU 84 Ca -0.04 -2.72 0.00 0.00 -0.01 0.00 0.00 56.01 53.24 2af2 n LEU 84 Cb 0.51 -0.19 0.00 0.00 -0.11 0.00 0.00 43.42 43.63 2af2 n LEU 84 CO 0.45 -0.64 0.00 0.61 -1.51 0.00 0.00 177.39 176.31 2af2 n GLY 85 N -1.80 0.58 3.03 -0.72 0.00 -1.23 -4.69 105.19 100.36 2af2 n GLY 85 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 0.29 -0.06 1.61 2.20 -1.26 -2.02 114.94 114.69 2af2 s ASN 86 Ca 0.00 -0.61 0.04 0.00 -0.94 0.00 0.00 52.86 51.34 2af2 s ASN 86 Cb 0.00 0.14 -0.02 0.00 -2.00 0.00 0.00 41.25 39.37 2af2 s ASN 86 CO 0.00 -0.40 -0.18 0.68 -2.94 0.00 0.00 177.10 174.27 2af2 s VAL 87 N -2.18 2.74 -0.17 3.54 -7.23 0.11 -4.93 120.40 112.28 2af2 s VAL 87 Ca -0.09 -0.83 -0.07 0.00 -1.81 0.00 0.00 61.98 59.18 2af2 s VAL 87 Cb -0.05 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 2af2 s VAL 87 CO -0.03 0.57 0.08 -0.89 -0.31 0.00 0.00 175.10 174.52 2af2 s THR 88 N -0.39 4.94 0.22 5.32 2.01 -1.26 0.11 115.64 126.58 2af2 s THR 88 Ca 0.04 0.01 -0.20 0.00 0.31 0.00 0.00 61.69 61.86 2af2 s THR 88 Cb -0.12 -3.21 -0.08 0.00 0.01 0.00 0.00 72.50 69.10 2af2 s THR 88 CO 0.02 0.49 0.72 0.00 -0.69 0.00 0.00 174.62 175.16 2af2 s ALA 89 N 0.06 3.42 1.19 7.40 0.00 -0.54 -4.33 121.76 128.96 2af2 s ALA 89 Ca 0.06 0.16 -0.13 0.00 0.00 0.00 0.00 51.96 52.06 2af2 s ALA 89 Cb -0.12 -2.82 0.30 0.00 0.00 0.00 0.00 23.12 20.48 2af2 s ALA 89 CO 0.00 0.33 1.02 0.34 0.00 0.00 0.00 175.76 177.45 2af2 s ASP 90 N -1.63 0.72 0.35 0.00 2.15 0.06 -2.23 116.67 116.08 2af2 s ASP 90 Ca 0.43 1.49 0.21 0.00 0.43 0.00 0.00 52.55 55.11 2af2 s ASP 90 Cb -0.17 -2.31 1.16 0.00 -0.30 0.00 0.00 42.92 41.30 2af2 s ASP 90 CO 0.21 -4.36 1.63 0.07 -0.17 0.00 0.00 175.17 172.56 2af2 h LYS 91 N -2.73 0.00 -0.19 4.34 5.09 -1.96 0.75 116.57 121.87 2af2 h LYS 91 Ca -0.63 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.11 2af2 h LYS 91 Cb 1.34 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.67 2af2 h LYS 91 CO 0.50 0.00 0.00 -3.47 -2.09 0.00 0.00 179.45 174.39 2af2 n ASP 92 N -2.27 2.50 0.00 7.07 2.03 -1.26 -4.91 116.55 119.71 2af2 n ASP 92 Ca -0.01 -1.83 0.00 0.00 0.52 0.00 0.00 54.79 53.46 2af2 n ASP 92 Cb 0.10 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 2af2 n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2af2 n GLY 93 N 1.31 0.53 3.57 0.27 0.00 0.26 -4.80 105.19 106.33 2af2 n GLY 93 Ca 0.17 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 4.02 -0.34 1.61 0.11 -1.26 -1.19 120.40 121.35 2af2 s VAL 94 Ca 0.00 -0.33 -0.09 0.00 -2.93 0.00 0.00 61.98 58.62 2af2 s VAL 94 Cb 0.00 -2.72 0.02 0.00 -1.53 0.00 0.00 36.38 32.15 2af2 s VAL 94 CO 0.00 0.54 0.16 0.00 -3.33 0.00 0.00 175.10 172.48 2af2 s ALA 95 N -0.22 3.22 -0.10 1.54 0.00 0.28 -0.76 121.76 125.72 2af2 s ALA 95 Ca 0.04 -1.61 -0.04 0.00 0.00 0.00 0.00 51.96 50.36 2af2 s ALA 95 Cb -0.13 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 2af2 s ALA 95 CO 0.02 -1.20 0.04 0.34 0.00 0.00 0.00 175.76 174.97 2af2 s ASP 96 N 1.54 5.58 -0.00 0.00 2.15 -1.26 -1.04 116.67 123.63 2af2 s ASP 96 Ca 0.02 0.23 0.01 0.00 0.43 0.00 0.00 52.55 53.25 2af2 s ASP 96 Cb -0.18 -1.67 -0.00 0.00 -0.30 0.00 0.00 42.92 40.76 2af2 s ASP 96 CO 0.05 0.38 -0.04 -0.69 -0.17 0.00 0.00 175.17 174.70 2af2 s VAL 97 N -0.85 0.28 -0.28 1.11 1.01 0.19 -4.99 120.40 116.86 2af2 s VAL 97 Ca 0.13 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2af2 s VAL 97 Cb -0.12 -0.25 0.17 0.00 0.00 0.00 0.00 36.38 36.18 2af2 s VAL 97 CO 0.03 0.07 0.47 -0.94 0.00 0.00 0.00 175.10 174.72 2af2 s SER 98 N -0.12 -0.34 0.00 3.32 1.04 -1.26 -2.22 113.70 114.12 2af2 s SER 98 Ca 0.01 0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.56 2af2 s SER 98 Cb -0.02 1.47 -0.01 0.00 0.10 0.00 0.00 66.02 67.57 2af2 s SER 98 CO -0.00 -0.31 -0.05 -0.63 0.98 0.00 0.00 173.24 173.23 2af2 s ILE 99 N 2.65 0.35 -0.11 -1.02 1.01 0.24 -5.02 121.20 119.29 2af2 s ILE 99 Ca 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 2af2 s ILE 99 Cb -0.13 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 2af2 s ILE 99 CO -0.24 -0.00 -0.06 -0.70 0.00 0.00 0.00 174.94 173.94 2af2 s GLU 100 N -0.36 3.19 0.00 2.79 2.12 -1.26 0.30 118.70 125.48 2af2 s GLU 100 Ca -0.01 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 54.78 2af2 s GLU 100 Cb -0.03 -2.73 -0.00 0.00 0.26 0.00 0.00 34.13 31.63 2af2 s GLU 100 CO -0.00 0.45 -0.01 0.34 -0.54 0.00 0.00 175.26 175.50 2af2 s ASP 101 N -0.23 0.16 -0.46 -1.70 -1.08 0.30 -4.99 116.67 108.68 2af2 s ASP 101 Ca 0.03 -0.05 0.06 0.00 -0.52 0.00 0.00 52.55 52.07 2af2 s ASP 101 Cb -0.13 -0.01 0.41 0.00 -1.46 0.00 0.00 42.92 41.73 2af2 s ASP 101 CO 0.03 -0.00 1.07 -1.54 0.52 0.00 0.00 175.17 175.24 2af2 n SER 102 N 2.97 4.43 0.00 -0.34 3.41 -1.26 -0.36 113.62 122.47 2af2 n SER 102 Ca -0.13 -3.65 0.00 0.00 -0.26 0.00 0.00 58.87 54.83 2af2 n SER 102 Cb 0.59 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.40 0.00 -4.28 -3.33 3.14 -1.26 -4.98 118.33 107.22 2af2 n VAL 103 Ca 0.36 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.56 2af2 n VAL 103 Cb 0.62 1.18 -0.09 0.00 -1.06 0.00 0.00 33.84 34.49 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 0.06 0.19 1.55 -0.00 -1.26 -5.05 121.20 116.69 2af2 s ILE 104 Ca 0.00 -2.00 -0.17 0.00 -0.00 0.00 0.00 60.65 58.48 2af2 s ILE 104 Cb 0.00 -2.50 0.03 0.00 -0.00 0.00 0.00 42.46 39.99 2af2 s ILE 104 CO 0.00 0.00 0.49 -0.94 -0.00 0.00 0.00 174.94 174.49 2af2 s SER 105 N -3.32 -0.24 -1.39 4.36 1.04 -1.26 -4.57 113.70 108.32 2af2 s SER 105 Ca 0.39 -0.49 -0.14 0.00 0.48 0.00 0.00 55.95 56.19 2af2 s SER 105 Cb 0.04 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 2af2 s SER 105 CO 0.22 -1.02 2.32 0.18 0.98 0.00 0.00 173.24 175.92 2af2 n LEU 106 N -0.32 6.82 0.00 2.42 4.32 -1.26 -0.84 117.00 128.14 2af2 n LEU 106 Ca -0.10 -3.99 0.00 0.00 -0.02 0.00 0.00 56.01 51.90 2af2 n LEU 106 Cb 0.63 -1.56 0.00 0.00 -1.62 0.00 0.00 43.42 40.87 2af2 n LEU 106 CO 0.18 1.09 0.06 -0.24 -1.22 0.00 0.00 177.39 177.26 2af2 n SER 107 N 5.74 0.25 0.00 -1.43 2.88 -0.41 -4.90 113.62 115.75 2af2 n SER 107 Ca 0.56 -0.59 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2af2 n SER 107 Cb 0.35 0.34 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 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 0.34 2.77 0.00 0.46 0.00 -0.50 -4.80 105.19 103.46 2af2 n GLY 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.47 0.00 -0.19 1.61 2.03 -1.26 -4.73 116.55 114.48 2af2 n ASP 109 Ca 0.00 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.43 2af2 n ASP 109 Cb 0.00 0.00 0.63 0.00 -0.72 0.00 0.00 41.12 41.03 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 0.04 0.00 -0.67 8.25 -1.26 -4.83 115.22 116.75 2af2 n HIS 110 Ca 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 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 0.43 0.64 0.00 0.00 176.34 177.41 2af2 n SER 111 N -0.46 0.00 -4.49 0.41 7.64 -1.26 -4.66 113.62 110.80 2af2 n SER 111 Ca 0.18 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.81 2af2 n SER 111 Cb 0.18 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.28 2af2 n SER 111 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2af2 s ILE 112 N 3.01 1.31 0.10 0.44 -4.36 -0.02 -4.83 121.20 116.85 2af2 s ILE 112 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 2af2 s ILE 112 Cb 0.00 -2.69 0.00 0.00 1.25 0.00 0.00 42.46 41.02 2af2 s ILE 112 CO 0.00 0.00 0.00 -0.38 0.24 0.00 0.00 174.94 174.80 2af2 n ILE 113 N -0.88 -0.83 0.00 8.37 2.08 -1.26 -1.28 119.36 125.55 2af2 n ILE 113 Ca -0.06 0.30 0.00 0.00 0.56 0.00 0.00 62.75 63.55 2af2 n ILE 113 Cb 0.67 -0.46 0.00 0.00 -0.75 0.00 0.00 39.64 39.09 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 -1.51 1.54 3.64 7.39 0.00 -0.95 -3.82 105.19 111.49 2af2 n GLY 114 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.02 -0.04 1.61 0.52 -1.26 -3.31 118.95 115.44 2af2 s ARG 115 Ca 0.00 -0.16 -0.01 0.00 -0.52 0.00 0.00 55.73 55.04 2af2 s ARG 115 Cb 0.00 -1.63 0.03 0.00 0.52 0.00 0.00 34.95 33.87 2af2 s ARG 115 CO 0.00 -3.56 0.03 0.99 0.02 0.00 0.00 175.30 172.78 2af2 s THR 116 N -3.15 0.03 -0.35 0.02 2.01 -0.86 -1.67 115.64 111.67 2af2 s THR 116 Ca 0.72 0.25 -0.19 0.00 0.31 0.00 0.00 61.69 62.78 2af2 s THR 116 Cb -0.08 -0.21 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 2af2 s THR 116 CO 0.55 0.16 0.57 -0.22 -0.69 0.00 0.00 174.62 174.99 2af2 s LEU 117 N 1.58 4.29 -0.10 4.42 2.96 -0.00 -0.36 118.68 131.47 2af2 s LEU 117 Ca -0.02 0.09 -0.05 0.00 -0.22 0.00 0.00 54.13 53.93 2af2 s LEU 117 Cb -0.13 -2.68 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 2af2 s LEU 117 CO -0.03 -0.52 0.09 0.54 -1.32 0.00 0.00 176.35 175.11 2af2 s VAL 118 N 2.54 5.08 -0.00 1.68 0.11 -0.46 -1.02 120.40 128.33 2af2 s VAL 118 Ca 0.22 0.03 0.05 0.00 -2.93 0.00 0.00 61.98 59.34 2af2 s VAL 118 Cb -0.15 -3.20 -0.03 0.00 -1.53 0.00 0.00 36.38 31.47 2af2 s VAL 118 CO 0.14 0.60 -0.13 0.54 -3.33 0.00 0.00 175.10 172.91 2af2 s VAL 119 N -1.00 3.14 0.10 2.04 0.11 -0.12 -1.60 120.40 123.08 2af2 s VAL 119 Ca 0.15 -0.89 0.10 0.00 -2.93 0.00 0.00 61.98 58.41 2af2 s VAL 119 Cb -0.12 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.39 2af2 s VAL 119 CO 0.04 0.45 -0.24 -1.00 -3.33 0.00 0.00 175.10 171.02 2af2 s HIS 120 N -0.87 2.39 -0.13 1.54 3.76 0.64 -2.25 115.29 120.37 2af2 s HIS 120 Ca 0.14 -0.35 0.29 0.00 -0.15 0.00 0.00 55.06 54.99 2af2 s HIS 120 Cb -0.11 -1.33 0.90 0.00 1.11 0.00 0.00 32.58 33.15 2af2 s HIS 120 CO 0.04 0.29 1.81 1.49 -0.85 0.00 0.00 174.74 177.53 2af2 h GLU 121 N 4.12 0.00 -5.34 1.40 4.22 -1.48 -2.97 114.58 114.53 2af2 h GLU 121 Ca -0.49 0.00 -0.54 0.00 0.08 0.00 0.00 59.36 58.41 2af2 h GLU 121 Cb 1.16 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.28 2af2 h GLU 121 CO 0.43 0.01 -0.59 0.15 -2.18 0.00 0.00 179.01 176.82 2af2 s LYS 122 N -3.46 1.80 0.35 1.92 -0.14 -0.75 -4.61 119.74 114.85 2af2 s LYS 122 Ca 0.04 -2.02 -0.28 0.00 -1.36 0.00 0.00 55.97 52.34 2af2 s LYS 122 Cb 0.07 -1.11 -0.12 0.00 -1.68 0.00 0.00 37.83 34.99 2af2 s LYS 122 CO 0.60 -0.18 1.37 0.00 -0.76 0.00 0.00 175.35 176.38 2af2 n ALA 123 N -0.82 1.70 -2.36 5.17 0.00 -1.12 -0.61 120.51 122.47 2af2 n ALA 123 Ca -0.04 0.35 -0.39 0.00 0.00 0.00 0.00 53.44 53.36 2af2 n ALA 123 Cb 0.67 -2.32 -0.06 0.00 0.00 0.00 0.00 19.45 17.74 2af2 n ALA 123 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2af2 s ASP 124 N -0.23 7.08 0.19 0.00 -1.08 -1.26 -3.94 116.67 117.44 2af2 s ASP 124 Ca 0.55 1.29 -0.05 0.00 -0.52 0.00 0.00 52.55 53.82 2af2 s ASP 124 Cb -0.54 -2.40 0.12 0.00 -1.46 0.00 0.00 42.92 38.65 2af2 s ASP 124 CO 0.63 0.15 1.54 -0.78 0.52 0.00 0.00 175.17 177.22 2af2 h ASP 125 N 5.20 0.73 -5.00 -0.34 3.58 -0.69 -3.48 116.42 116.42 2af2 h ASP 125 Ca -0.46 -0.34 -0.00 0.00 0.42 0.00 0.00 57.03 56.64 2af2 h ASP 125 Cb 1.21 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.05 2af2 h ASP 125 CO 0.68 1.06 -0.01 0.18 -2.88 0.00 0.00 179.24 178.26 2af2 n LEU 126 N -4.03 -6.03 0.00 2.28 4.77 -1.25 -4.86 117.00 107.89 2af2 n LEU 126 Ca -0.02 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2af2 n LEU 126 Cb 0.54 -2.95 0.00 0.00 -2.33 0.00 0.00 43.42 38.68 2af2 n LEU 126 CO 0.46 -0.93 0.00 0.61 -1.33 0.00 0.00 177.39 176.20 2af2 n GLY 127 N -1.64 -0.86 1.96 -0.72 0.00 -1.19 -4.13 105.19 98.60 2af2 n GLY 127 Ca -0.00 0.32 -0.04 0.00 0.00 0.00 0.00 46.02 46.30 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 0.78 -0.29 1.61 0.00 -1.26 -3.62 118.16 115.38 2af2 n LYS 128 Ca 0.00 -1.06 0.31 0.00 -0.00 0.00 0.00 58.31 57.56 2af2 n LYS 128 Cb 0.00 0.44 0.69 0.00 -0.00 0.00 0.00 35.03 36.17 2af2 n LYS 128 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2af2 h GLY 129 N 0.57 0.26 0.00 2.58 0.00 -1.91 -3.42 103.07 101.15 2af2 h GLY 129 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2af2 h GLY 129 CO -0.22 -0.03 0.00 0.61 0.00 0.00 0.00 176.54 176.90 2af2 n GLY 130 N -1.70 0.00 0.15 4.60 0.00 -1.26 -5.14 105.19 101.84 2af2 n GLY 130 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.25 2af2 n GLY 130 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2af2 n ASN 131 N 0.00 -0.05 0.15 1.61 0.23 -1.26 -5.07 115.26 110.87 2af2 n ASN 131 Ca 0.00 -1.09 -0.11 0.00 -0.53 0.00 0.00 54.58 52.85 2af2 n ASN 131 Cb 0.00 0.10 -0.06 0.00 -2.08 0.00 0.00 39.78 37.74 2af2 n ASN 131 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2af2 h GLU 132 N 0.00 -0.43 -0.21 -3.83 4.81 -2.02 -3.32 114.58 109.58 2af2 h GLU 132 Ca -0.01 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 2af2 h GLU 132 Cb 0.05 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2af2 h GLU 132 CO 0.02 -0.12 0.18 0.93 -0.73 0.00 0.00 179.01 179.28 2af2 h GLU 133 N -0.98 0.00 -1.09 1.92 3.07 -1.98 -0.30 114.58 115.22 2af2 h GLU 133 Ca -0.05 0.00 0.32 0.00 -0.50 0.00 0.00 59.36 59.13 2af2 h GLU 133 Cb 0.51 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.30 2af2 h GLU 133 CO 0.07 0.00 0.68 0.77 -1.40 0.00 0.00 179.01 179.13 2af2 h SER 134 N 0.00 0.45 0.00 1.42 0.02 -1.88 0.13 113.55 113.69 2af2 h SER 134 Ca 0.10 0.13 -0.15 0.00 -0.84 0.00 0.00 61.79 61.03 2af2 h SER 134 Cb 0.45 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 2af2 h SER 134 CO -0.00 -0.03 -1.58 1.07 -1.14 0.00 0.00 176.83 175.15 2af2 n THR 135 N -4.78 0.58 0.25 -2.27 5.66 -0.51 -2.95 114.28 110.25 2af2 n THR 135 Ca 0.30 -0.30 0.12 0.00 -3.05 0.00 0.00 64.05 61.12 2af2 n THR 135 Cb 1.02 -0.82 0.66 0.00 -1.55 0.00 0.00 70.33 69.64 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 -0.96 -3.36 116.57 116.99 2af2 h LYS 136 Ca -0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2af2 h LYS 136 Cb 1.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 2af2 h LYS 136 CO -0.01 0.14 -0.48 0.25 -2.27 0.00 0.00 179.45 177.08 2af2 n THR 137 N -3.53 0.00 0.00 1.00 -2.24 0.25 -4.46 114.28 105.30 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 0.29 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 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 1.91 1.06 2.75 3.38 0.00 -0.13 -4.66 105.19 109.50 2af2 n GLY 138 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2af2 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2af2 n ASN 139 N 0.00 -5.36 -0.45 1.61 5.03 -0.37 0.03 115.26 115.75 2af2 n ASN 139 Ca 0.00 0.07 0.00 0.00 0.87 0.00 0.00 54.58 55.52 2af2 n ASN 139 Cb 0.00 -3.11 0.00 0.00 -1.02 0.00 0.00 39.78 35.65 2af2 n ASN 139 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2af2 n ALA 140 N 1.05 1.56 0.00 5.41 0.00 -1.25 -4.74 120.51 122.54 2af2 n ALA 140 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2af2 n ALA 140 Cb 0.43 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 0.28 1.04 3.71 0.00 0.00 -1.26 -1.81 105.19 107.15 2af2 n GLY 141 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2af2 n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2af2 s SER 142 N 0.00 -0.16 0.72 1.61 0.15 -1.26 -4.96 113.70 109.80 2af2 s SER 142 Ca 0.00 -0.32 -0.12 0.00 0.70 0.00 0.00 55.95 56.21 2af2 s SER 142 Cb 0.00 0.41 0.03 0.00 -1.71 0.00 0.00 66.02 64.75 2af2 s SER 142 CO 0.00 -0.75 1.08 0.00 1.20 0.00 0.00 173.24 174.77 2af2 s ARG 143 N -3.08 2.59 0.00 5.44 1.70 -1.26 -1.93 118.95 122.40 2af2 s ARG 143 Ca 0.12 1.14 0.00 0.00 -0.47 0.00 0.00 55.73 56.53 2af2 s ARG 143 Cb 0.00 -1.94 0.00 0.00 -0.57 0.00 0.00 34.95 32.44 2af2 s ARG 143 CO 0.00 -1.39 0.00 -0.11 -1.08 0.00 0.00 175.30 172.73 2af2 n LEU 144 N -3.17 0.00 -4.88 -1.89 -0.00 -0.95 -3.97 117.00 102.15 2af2 n LEU 144 Ca 0.09 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.88 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 0.53 0.00 -0.11 0.00 -0.00 0.00 0.00 177.39 177.81 2af2 s ALA 145 N -1.90 3.74 -0.03 1.96 0.00 -1.19 -4.73 121.76 119.61 2af2 s ALA 145 Ca 0.00 -1.37 -0.03 0.00 0.00 0.00 0.00 51.96 50.56 2af2 s ALA 145 Cb 0.00 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.68 2af2 s ALA 145 CO 0.00 0.22 0.08 0.00 0.00 0.00 0.00 175.76 176.07 2af2 s GLY 147 N -0.02 -0.47 0.26 0.00 0.00 -0.18 -1.43 107.32 105.49 2af2 s GLY 147 Ca -0.01 1.82 -0.30 0.00 0.00 0.00 0.00 44.72 46.23 2af2 s GLY 147 CO 0.00 1.71 1.08 0.14 0.00 0.00 0.00 173.10 176.04 2af2 s VAL 148 N 0.84 3.58 -0.50 1.40 1.01 -1.25 -0.82 120.40 124.66 2af2 s VAL 148 Ca -0.04 1.57 -0.23 0.00 0.00 0.00 0.00 61.98 63.27 2af2 s VAL 148 Cb -0.05 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.37 2af2 s VAL 148 CO -0.07 0.36 0.85 -0.63 0.00 0.00 0.00 175.10 175.61 2af2 s ILE 149 N -1.06 4.54 0.09 2.22 -1.09 -0.67 -3.23 121.20 122.00 2af2 s ILE 149 Ca 0.45 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 2af2 s ILE 149 Cb -0.31 -4.43 -0.00 0.00 -1.58 0.00 0.00 42.46 36.14 2af2 s ILE 149 CO 0.39 -0.92 0.00 0.61 -1.23 0.00 0.00 174.94 173.80 2af2 n GLY 150 N 5.06 4.06 2.92 6.18 0.00 -0.56 -2.23 105.19 120.63 2af2 n GLY 150 Ca 0.01 -2.19 -0.21 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.42 0.68 0.00 -0.61 -5.25 -1.26 -0.34 121.20 113.00 2af2 s ILE 151 Ca 0.01 -0.20 0.00 0.00 -0.99 0.00 0.00 60.65 59.46 2af2 s ILE 151 Cb 0.00 -0.68 0.00 0.00 2.95 0.00 0.00 42.46 44.73 2af2 s ILE 151 CO 0.00 0.26 0.00 0.00 -1.79 0.00 0.00 174.94 173.41 2af2 n ALA 152 N 4.01 0.00 0.00 2.27 0.00 -0.02 -4.89 120.51 121.88 2af2 n ALA 152 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2af2 n ALA 152 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2af2 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44