#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 4.25 -0.04 0.00 2.01 -0.77 -4.80 115.64 116.29 2af2 s THR 2 Ca 0.00 1.53 0.02 0.00 0.31 0.00 0.00 61.69 63.55 2af2 s THR 2 Cb 0.00 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.53 2af2 s THR 2 CO 0.00 -0.10 -0.09 -1.59 -0.69 0.00 0.00 174.62 172.16 2af2 s LYS 3 N 3.16 1.06 0.63 4.92 -2.85 -1.26 -0.73 119.74 124.68 2af2 s LYS 3 Ca 0.55 -0.28 -0.05 0.00 -1.00 0.00 0.00 55.97 55.19 2af2 s LYS 3 Cb -0.23 -0.97 0.03 0.00 -2.06 0.00 0.00 37.83 34.60 2af2 s LYS 3 CO 0.17 0.06 0.93 0.00 0.10 0.00 0.00 175.35 176.60 2af2 s ALA 4 N 0.43 3.32 -0.15 0.59 0.00 -1.01 -1.23 121.76 123.72 2af2 s ALA 4 Ca -0.07 -0.88 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 2af2 s ALA 4 Cb -0.11 -2.53 0.07 0.00 0.00 0.00 0.00 23.12 20.56 2af2 s ALA 4 CO 0.01 -0.99 0.28 0.08 0.00 0.00 0.00 175.76 175.14 2af2 s VAL 5 N -3.06 -0.44 -1.16 0.00 1.01 -1.26 -0.42 120.40 115.07 2af2 s VAL 5 Ca 0.57 0.20 -0.20 0.00 0.00 0.00 0.00 61.98 62.55 2af2 s VAL 5 Cb -0.11 -0.51 0.05 0.00 0.00 0.00 0.00 36.38 35.81 2af2 s VAL 5 CO 0.44 0.06 1.63 0.00 0.00 0.00 0.00 175.10 177.23 2af2 s ALA 6 N 2.44 2.95 -1.26 5.51 0.00 0.80 -4.80 121.76 127.40 2af2 s ALA 6 Ca 0.02 -2.57 -0.19 0.00 0.00 0.00 0.00 51.96 49.22 2af2 s ALA 6 Cb -0.13 -4.60 0.01 0.00 0.00 0.00 0.00 23.12 18.41 2af2 s ALA 6 CO -0.10 -3.56 1.83 0.28 0.00 0.00 0.00 175.76 174.21 2af2 n VAL 7 N 6.71 3.22 -2.06 0.00 0.31 -1.26 -0.93 118.33 124.31 2af2 n VAL 7 Ca 0.42 -3.32 -0.42 0.00 -0.01 0.00 0.00 64.34 61.01 2af2 n VAL 7 Cb 0.48 -2.30 -0.03 0.00 -0.91 0.00 0.00 33.84 31.08 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 6.35 4.36 0.00 7.52 1.43 -0.04 -4.67 118.68 133.62 2af2 s LEU 8 Ca 0.59 2.40 -0.07 0.00 -1.03 0.00 0.00 54.13 56.01 2af2 s LEU 8 Cb 0.03 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.70 2af2 s LEU 8 CO 0.09 -0.77 0.36 1.17 0.23 0.00 0.00 176.35 177.44 2af2 n LYS 9 N 4.69 0.52 0.00 1.70 4.81 0.13 -0.43 118.16 129.59 2af2 n LYS 9 Ca 0.14 -1.04 0.00 0.00 -0.87 0.00 0.00 58.31 56.53 2af2 n LYS 9 Cb 0.41 1.29 0.00 0.00 0.02 0.00 0.00 35.03 36.75 2af2 n LYS 9 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2af2 n GLY 10 N -0.25 1.05 3.44 3.14 0.00 -1.26 -0.93 105.19 110.38 2af2 n GLY 10 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2af2 n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2af2 s ASP 11 N -1.54 3.68 0.00 1.61 2.15 -1.26 -4.99 116.67 116.32 2af2 s ASP 11 Ca 0.00 -0.48 0.00 0.00 0.43 0.00 0.00 52.55 52.50 2af2 s ASP 11 Cb 0.00 -0.54 0.00 0.00 -0.30 0.00 0.00 42.92 42.08 2af2 s ASP 11 CO 0.00 0.25 0.69 0.61 -0.17 0.00 0.00 175.17 176.54 2af2 n GLY 12 N 1.50 -1.89 0.19 2.66 0.00 -1.26 -4.31 105.19 102.08 2af2 n GLY 12 Ca -0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 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 0.22 -6.00 1.61 0.13 -1.96 -3.44 132.00 122.57 2af2 h PRO 13 Ca 0.00 -0.11 -0.61 0.00 -0.87 0.00 0.00 66.00 64.41 2af2 h PRO 13 Cb 0.00 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2af2 h PRO 13 CO 0.00 0.62 -0.31 0.08 -0.23 0.00 0.00 178.00 178.16 2af2 s VAL 14 N -4.11 5.19 0.25 1.56 1.01 -1.26 -4.36 120.40 118.68 2af2 s VAL 14 Ca -0.04 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.31 2af2 s VAL 14 Cb 0.13 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2af2 s VAL 14 CO 0.77 0.35 0.19 -1.10 0.00 0.00 0.00 175.10 175.31 2af2 s GLN 15 N -1.76 1.43 0.37 2.72 1.11 -0.59 -4.66 119.66 118.27 2af2 s GLN 15 Ca 0.29 -1.79 -0.13 0.00 0.01 0.00 0.00 55.36 53.75 2af2 s GLN 15 Cb -0.14 0.28 0.04 0.00 -1.01 0.00 0.00 33.01 32.18 2af2 s GLN 15 CO 0.16 -0.49 0.72 0.20 0.01 0.00 0.00 175.29 175.90 2af2 s GLY 16 N -3.25 0.59 -0.41 3.09 0.00 0.43 -0.57 107.32 107.20 2af2 s GLY 16 Ca 0.40 -0.90 0.09 0.00 0.00 0.00 0.00 44.72 44.31 2af2 s GLY 16 CO 0.18 -0.45 1.07 0.29 0.00 0.00 0.00 173.10 174.20 2af2 n ILE 17 N -0.54 0.08 -2.82 0.90 -5.35 -0.39 -0.86 119.36 110.38 2af2 n ILE 17 Ca -0.06 -2.34 -0.43 0.00 -0.27 0.00 0.00 62.75 59.65 2af2 n ILE 17 Cb 0.60 0.91 -0.04 0.00 -1.74 0.00 0.00 39.64 39.38 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 -0.71 4.28 0.40 7.28 -1.09 -0.11 -4.03 121.20 127.22 2af2 s ILE 18 Ca 0.26 -0.41 -0.23 0.00 -2.23 0.00 0.00 60.65 58.04 2af2 s ILE 18 Cb 0.35 -4.73 -0.10 0.00 -1.58 0.00 0.00 42.46 36.40 2af2 s ILE 18 CO -0.06 -1.53 0.99 0.20 -1.23 0.00 0.00 174.94 173.32 2af2 s ASN 19 N 3.73 6.92 -0.58 3.58 0.01 0.28 -0.14 114.94 128.74 2af2 s ASN 19 Ca 0.25 1.86 0.05 0.00 -0.71 0.00 0.00 52.86 54.31 2af2 s ASN 19 Cb -0.14 -2.57 0.18 0.00 0.41 0.00 0.00 41.25 39.13 2af2 s ASN 19 CO 0.08 -0.37 0.45 0.49 -1.51 0.00 0.00 177.10 176.25 2af2 n PHE 20 N -0.19 1.58 -2.69 2.20 3.01 0.44 -3.17 117.46 118.65 2af2 n PHE 20 Ca 0.05 -3.90 -0.43 0.00 1.01 0.00 0.00 57.45 54.18 2af2 n PHE 20 Cb 0.51 -0.28 -0.03 0.00 -0.01 0.00 0.00 39.48 39.68 2af2 n PHE 20 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2af2 s GLU 21 N -0.95 3.79 -0.18 -1.08 -6.30 -0.38 -2.41 118.70 111.19 2af2 s GLU 21 Ca 0.29 0.61 -0.09 0.00 -2.50 0.00 0.00 54.97 53.28 2af2 s GLU 21 Cb 0.01 -3.85 -0.05 0.00 0.00 0.00 0.00 34.13 30.24 2af2 s GLU 21 CO -0.17 -1.16 0.11 -1.14 0.02 0.00 0.00 175.26 172.92 2af2 s GLN 22 N 3.97 3.99 -0.01 4.30 2.00 0.10 -1.36 119.66 132.65 2af2 s GLN 22 Ca 0.44 -0.24 0.20 0.00 -2.00 0.00 0.00 55.36 53.76 2af2 s GLN 22 Cb -0.10 -3.32 -0.23 0.00 0.80 0.00 0.00 33.01 30.16 2af2 s GLN 22 CO 0.25 0.38 0.56 0.36 -0.50 0.00 0.00 175.29 176.34 2af2 n LYS 23 N 3.24 0.65 0.00 1.67 0.00 -1.26 0.20 118.16 122.66 2af2 n LYS 23 Ca -0.17 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.11 2af2 n LYS 23 Cb 0.53 -1.62 0.00 0.00 -0.00 0.00 0.00 35.03 33.93 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 -2.54 2.51 -1.83 -1.58 4.71 -1.26 -4.66 120.64 115.99 2af2 n GLU 24 Ca -0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.03 2af2 n GLU 24 Cb 0.73 0.00 0.02 0.00 -1.01 0.00 0.00 31.44 31.18 2af2 n GLU 24 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 2af2 n SER 25 N 0.00 -0.14 0.00 1.62 3.41 -1.26 -4.91 113.62 112.34 2af2 n SER 25 Ca 0.00 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 2af2 n SER 25 Cb 0.00 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2af2 n SER 25 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2af2 n ASN 26 N -0.33 0.00 -2.07 4.04 0.23 -1.26 -4.84 115.26 111.03 2af2 n ASN 26 Ca -0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.94 2af2 n ASN 26 Cb 0.88 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.58 2af2 n ASN 26 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2af2 n GLY 27 N -0.02 -1.00 3.76 4.83 0.00 -1.26 -4.75 105.19 106.74 2af2 n GLY 27 Ca 0.00 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.73 4.38 -0.13 1.61 0.04 -1.26 -4.50 135.00 132.42 2af2 s PRO 28 Ca 0.00 2.15 -0.13 0.00 0.04 0.00 0.00 61.00 63.06 2af2 s PRO 28 Cb 0.00 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 2af2 s PRO 28 CO 0.00 -0.18 0.28 0.08 0.04 0.00 0.00 177.00 177.23 2af2 s VAL 29 N -0.84 5.30 -0.27 -0.36 1.01 -1.21 -4.53 120.40 119.51 2af2 s VAL 29 Ca 0.51 0.53 -0.28 0.00 0.00 0.00 0.00 61.98 62.74 2af2 s VAL 29 Cb -0.39 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.40 2af2 s VAL 29 CO 0.48 0.45 1.00 -0.75 0.00 0.00 0.00 175.10 176.28 2af2 s LYS 30 N 0.04 4.16 -0.78 2.72 2.20 -0.46 -2.28 119.74 125.33 2af2 s LYS 30 Ca 0.17 1.15 0.02 0.00 -0.36 0.00 0.00 55.97 56.95 2af2 s LYS 30 Cb -0.13 -3.68 0.20 0.00 -1.51 0.00 0.00 37.83 32.71 2af2 s LYS 30 CO 0.05 -0.71 0.64 0.28 -0.36 0.00 0.00 175.35 175.26 2af2 n VAL 31 N 5.51 2.29 -3.66 4.02 0.31 0.19 -1.25 118.33 125.74 2af2 n VAL 31 Ca 0.10 -5.01 -0.20 0.00 -0.01 0.00 0.00 64.34 59.22 2af2 n VAL 31 Cb 0.47 -2.25 -0.02 0.00 -0.91 0.00 0.00 33.84 31.12 2af2 n VAL 31 CO 0.00 0.00 0.00 -1.66 -1.32 0.00 0.00 176.83 173.85 2af2 s TRP 32 N -1.55 3.01 -5.00 3.52 -2.14 -1.19 -0.92 118.94 114.67 2af2 s TRP 32 Ca 0.27 -0.26 0.00 0.00 2.66 0.00 0.00 56.10 58.78 2af2 s TRP 32 Cb -0.04 -1.88 0.00 0.00 -3.10 0.00 0.00 33.47 28.46 2af2 s TRP 32 CO -0.14 0.10 0.00 0.41 -2.66 0.00 0.00 176.95 174.67 2af2 n GLY 33 N -1.49 0.40 3.65 3.67 0.00 0.30 -0.56 105.19 111.16 2af2 n GLY 33 Ca -0.01 -1.66 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.19 -0.09 1.61 1.04 -1.26 -0.81 113.70 110.01 2af2 s SER 34 Ca 0.00 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.74 2af2 s SER 34 Cb 0.00 0.63 0.02 0.00 0.10 0.00 0.00 66.02 66.76 2af2 s SER 34 CO 0.00 -1.18 -0.12 -0.63 0.98 0.00 0.00 173.24 172.29 2af2 s ILE 35 N -3.95 1.18 0.01 -1.02 1.09 -0.07 -1.27 121.20 117.18 2af2 s ILE 35 Ca 0.15 -0.46 0.02 0.00 -1.10 0.00 0.00 60.65 59.26 2af2 s ILE 35 Cb -0.02 -1.11 -0.01 0.00 -1.06 0.00 0.00 42.46 40.26 2af2 s ILE 35 CO 0.05 0.38 -0.07 -1.59 -0.10 0.00 0.00 174.94 173.61 2af2 s LYS 36 N 0.99 0.49 0.00 2.79 0.00 0.27 -0.29 119.74 123.98 2af2 s LYS 36 Ca -0.08 -0.41 0.00 0.00 0.00 0.00 0.00 55.97 55.48 2af2 s LYS 36 Cb -0.15 -0.40 0.00 0.00 0.00 0.00 0.00 37.83 37.29 2af2 s LYS 36 CO -0.00 0.10 0.00 0.41 0.00 0.00 0.00 175.35 175.85 2af2 n GLY 37 N 2.38 1.04 3.86 0.59 0.00 0.19 -1.54 105.19 111.71 2af2 n GLY 37 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 3.05 0.43 0.99 1.43 -1.03 -4.58 118.68 118.97 2af2 s LEU 38 Ca 0.00 1.33 -0.10 0.00 -1.03 0.00 0.00 54.13 54.33 2af2 s LEU 38 Cb 0.00 -4.24 -0.06 0.00 0.03 0.00 0.00 46.19 41.92 2af2 s LEU 38 CO 0.00 -1.19 0.80 0.28 0.23 0.00 0.00 176.35 176.47 2af2 s THR 39 N -3.23 4.78 1.24 5.49 -1.32 -1.26 -4.45 115.64 116.89 2af2 s THR 39 Ca 0.57 0.63 -0.17 0.00 -1.21 0.00 0.00 61.69 61.51 2af2 s THR 39 Cb -0.12 -3.75 0.27 0.00 -1.51 0.00 0.00 72.50 67.39 2af2 s THR 39 CO 0.53 -0.60 0.72 -1.84 -2.21 0.00 0.00 174.62 171.22 2af2 n GLU 40 N -1.51 -2.92 0.00 7.08 0.28 -1.26 -4.55 120.64 117.76 2af2 n GLU 40 Ca 0.03 -0.84 0.00 0.00 -0.16 0.00 0.00 57.16 56.19 2af2 n GLU 40 Cb 0.54 -1.96 0.00 0.00 1.43 0.00 0.00 31.44 31.45 2af2 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2af2 n GLY 41 N 1.55 -2.37 3.77 -1.84 0.00 -0.84 -4.75 105.19 100.70 2af2 n GLY 41 Ca 0.04 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 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 4.16 -0.07 0.99 1.02 -1.26 -1.89 118.68 121.63 2af2 s LEU 42 Ca 0.00 2.84 -0.03 0.00 0.02 0.00 0.00 54.13 56.96 2af2 s LEU 42 Cb 0.00 -3.90 0.04 0.00 0.02 0.00 0.00 46.19 42.35 2af2 s LEU 42 CO 0.00 -1.04 0.13 -1.00 0.02 0.00 0.00 176.35 174.46 2af2 s HIS 43 N -1.21 -0.13 0.58 0.29 3.76 0.65 -3.14 115.29 116.09 2af2 s HIS 43 Ca 0.59 0.49 -0.19 0.00 -0.15 0.00 0.00 55.06 55.79 2af2 s HIS 43 Cb -0.42 -0.23 -0.04 0.00 1.11 0.00 0.00 32.58 33.00 2af2 s HIS 43 CO 0.54 -0.21 1.22 0.20 -0.85 0.00 0.00 174.74 175.64 2af2 s GLY 44 N 1.82 2.77 -0.16 -2.22 0.00 -0.09 0.22 107.32 109.66 2af2 s GLY 44 Ca -0.02 1.05 -0.05 0.00 0.00 0.00 0.00 44.72 45.70 2af2 s GLY 44 CO -0.05 1.46 0.29 -0.11 0.00 0.00 0.00 173.10 174.68 2af2 s PHE 45 N -1.55 -0.49 0.31 1.90 -0.71 0.11 -0.03 117.98 117.54 2af2 s PHE 45 Ca 0.76 0.94 -0.16 0.00 -1.04 0.00 0.00 56.93 57.42 2af2 s PHE 45 Cb -0.32 -0.03 0.03 0.00 -1.21 0.00 0.00 43.02 41.49 2af2 s PHE 45 CO 0.35 -0.43 0.68 -3.38 -1.34 0.00 0.00 175.22 171.09 2af2 s HIS 46 N 2.44 0.12 -0.09 3.49 -3.43 -0.31 -3.55 115.29 113.96 2af2 s HIS 46 Ca 0.03 -0.61 0.01 0.00 -0.80 0.00 0.00 55.06 53.68 2af2 s HIS 46 Cb -0.13 0.59 -0.02 0.00 -1.43 0.00 0.00 32.58 31.59 2af2 s HIS 46 CO -0.10 -1.30 -0.11 0.08 -2.00 0.00 0.00 174.74 171.32 2af2 s VAL 47 N -3.34 3.32 0.99 -5.38 1.01 0.84 -0.83 120.40 117.01 2af2 s VAL 47 Ca 0.16 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 2af2 s VAL 47 Cb -0.04 -2.36 0.20 0.00 0.00 0.00 0.00 36.38 34.18 2af2 s VAL 47 CO 0.10 0.56 1.24 -1.00 0.00 0.00 0.00 175.10 176.00 2af2 s HIS 48 N -0.32 1.60 0.25 5.22 3.76 0.37 -3.90 115.29 122.27 2af2 s HIS 48 Ca 0.03 0.46 -0.30 0.00 -0.15 0.00 0.00 55.06 55.11 2af2 s HIS 48 Cb -0.13 -3.83 -0.09 0.00 1.11 0.00 0.00 32.58 29.65 2af2 s HIS 48 CO 0.02 -2.80 1.20 -1.83 -0.85 0.00 0.00 174.74 170.49 2af2 s GLU 49 N -5.68 4.50 1.68 1.40 1.03 0.06 -4.18 118.70 117.51 2af2 s GLU 49 Ca 0.71 1.95 0.00 0.00 0.03 0.00 0.00 54.97 57.66 2af2 s GLU 49 Cb -0.07 -3.18 0.00 0.00 -0.80 0.00 0.00 34.13 30.08 2af2 s GLU 49 CO 0.53 -0.03 0.00 1.19 -1.33 0.00 0.00 175.26 175.62 2af2 n PHE 50 N 1.72 -1.71 -0.79 4.83 3.72 -1.26 -4.30 117.46 119.67 2af2 n PHE 50 Ca 0.02 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.50 2af2 n PHE 50 Cb 0.44 0.23 0.34 0.00 -0.94 0.00 0.00 39.48 39.55 2af2 n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2af2 n GLY 51 N 0.00 3.19 1.88 1.37 0.00 -0.78 -2.69 105.19 108.16 2af2 n GLY 51 Ca 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 2af2 n GLY 51 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2af2 n ASP 52 N 0.47 5.56 -1.84 1.61 5.68 -1.26 -4.66 116.55 122.11 2af2 n ASP 52 Ca 0.24 -2.61 -0.17 0.00 -0.50 0.00 0.00 54.79 51.75 2af2 n ASP 52 Cb 0.97 -1.26 0.08 0.00 -1.14 0.00 0.00 41.12 39.77 2af2 n ASP 52 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2af2 n ASN 53 N 1.73 4.89 -0.00 -1.12 0.23 -1.26 -3.96 115.26 115.76 2af2 n ASN 53 Ca 0.28 -3.06 0.03 0.00 -0.53 0.00 0.00 54.58 51.30 2af2 n ASN 53 Cb 0.70 -0.85 -0.05 0.00 -2.08 0.00 0.00 39.78 37.50 2af2 n ASN 53 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2af2 n THR 54 N -0.22 0.00 -0.14 5.53 -2.24 -1.26 -4.11 114.28 111.84 2af2 n THR 54 Ca 0.36 -0.16 0.02 0.00 -2.27 0.00 0.00 64.05 61.99 2af2 n THR 54 Cb 0.93 0.43 0.22 0.00 -2.10 0.00 0.00 70.33 69.82 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 -1.65 3.44 -0.18 6.98 0.00 -1.26 -5.02 120.51 122.82 2af2 n ALA 55 Ca -0.01 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.23 2af2 n ALA 55 Cb 0.15 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.27 1.88 0.14 0.00 0.00 -1.26 -1.87 105.19 104.36 2af2 n GLY 56 Ca 0.19 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.55 2.09 -3.64 0.00 -1.04 -0.78 -4.76 114.28 103.60 2af2 n THR 58 Ca 0.05 -0.64 -0.02 0.00 -2.04 0.00 0.00 64.05 61.40 2af2 n THR 58 Cb 0.47 -1.48 -0.01 0.00 -1.82 0.00 0.00 70.33 67.48 2af2 n THR 58 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2af2 s SER 59 N 1.79 -0.14 0.00 8.00 0.01 -1.26 -4.61 113.70 117.49 2af2 s SER 59 Ca 0.04 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.13 2af2 s SER 59 Cb 0.03 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.53 2af2 s SER 59 CO -0.00 -0.49 0.00 0.00 0.41 0.00 0.00 173.24 173.16 2af2 n ALA 60 N -0.39 0.00 -1.40 1.44 0.00 -1.25 -4.92 120.51 113.99 2af2 n ALA 60 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2af2 n ALA 60 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2af2 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2af2 n GLY 61 N 0.00 0.40 3.77 0.00 0.00 -1.26 -4.87 105.19 103.23 2af2 n GLY 61 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 0.46 -0.34 1.61 0.04 -1.26 -4.34 135.00 131.17 2af2 s PRO 62 Ca 0.00 0.04 -0.19 0.00 0.04 0.00 0.00 61.00 60.90 2af2 s PRO 62 Cb 0.00 -1.78 -0.00 0.00 0.04 0.00 0.00 34.50 32.75 2af2 s PRO 62 CO 0.00 -2.61 0.54 -1.01 0.04 0.00 0.00 177.00 173.96 2af2 s HIS 63 N -3.36 3.18 0.05 0.56 3.76 -1.17 -0.76 115.29 117.55 2af2 s HIS 63 Ca 0.68 0.26 -0.38 0.00 -0.15 0.00 0.00 55.06 55.47 2af2 s HIS 63 Cb -0.11 -2.95 -0.18 0.00 1.11 0.00 0.00 32.58 30.45 2af2 s HIS 63 CO 0.54 -0.53 1.18 0.34 -0.85 0.00 0.00 174.74 175.42 2af2 n PHE 64 N 5.78 1.02 -3.07 1.40 7.35 -1.26 -4.62 117.46 124.06 2af2 n PHE 64 Ca -0.04 0.86 -0.19 0.00 -0.76 0.00 0.00 57.45 57.32 2af2 n PHE 64 Cb 0.49 -2.20 -0.03 0.00 0.35 0.00 0.00 39.48 38.09 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 1.97 -0.55 0.32 -2.13 6.94 -1.26 -1.52 115.26 119.04 2af2 n ASN 65 Ca 0.19 -2.91 0.22 0.00 -0.02 0.00 0.00 54.58 52.06 2af2 n ASN 65 Cb 0.14 0.02 1.13 0.00 -2.36 0.00 0.00 39.78 38.71 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 3.85 0.00 0.00 -0.53 0.13 -1.99 0.55 132.00 134.01 2af2 h PRO 66 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2af2 h PRO 66 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2af2 h PRO 66 CO 0.42 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.47 2af2 n LEU 67 N -3.03 0.00 -3.58 1.56 4.77 -1.26 -4.94 117.00 110.52 2af2 n LEU 67 Ca -0.03 0.31 -0.21 0.00 -0.03 0.00 0.00 56.01 56.06 2af2 n LEU 67 Cb 0.09 -0.31 0.07 0.00 -2.33 0.00 0.00 43.42 40.93 2af2 n LEU 67 CO 0.20 -0.05 0.08 -0.24 -1.33 0.00 0.00 177.39 176.05 2af2 n SER 68 N -1.31 -2.75 -4.82 -1.43 2.88 0.18 -4.99 113.62 101.38 2af2 n SER 68 Ca 0.11 -0.68 -0.25 0.00 -1.33 0.00 0.00 58.87 56.73 2af2 n SER 68 Cb 0.21 -4.70 -0.04 0.00 -0.75 0.00 0.00 64.21 58.93 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 -5.80 2.31 0.75 -1.46 1.70 -1.26 -5.15 118.95 110.03 2af2 s ARG 69 Ca 0.16 -1.85 -0.04 0.00 -0.47 0.00 0.00 55.73 53.52 2af2 s ARG 69 Cb -0.07 -2.09 0.12 0.00 -0.57 0.00 0.00 34.95 32.34 2af2 s ARG 69 CO 0.76 -0.30 1.04 0.15 -1.08 0.00 0.00 175.30 175.87 2af2 s LYS 70 N -4.07 1.63 0.35 3.89 3.01 -1.26 -4.90 119.74 118.39 2af2 s LYS 70 Ca 0.39 -0.85 -0.04 0.00 -1.01 0.00 0.00 55.97 54.46 2af2 s LYS 70 Cb 0.00 -2.24 -0.04 0.00 -1.01 0.00 0.00 37.83 34.54 2af2 s LYS 70 CO 0.22 -1.53 0.61 -1.58 0.51 0.00 0.00 175.35 173.58 2af2 s HIS 71 N -3.26 3.50 0.00 3.18 2.46 -0.99 -3.61 115.29 116.57 2af2 s HIS 71 Ca 0.66 0.61 0.00 0.00 0.47 0.00 0.00 55.06 56.80 2af2 s HIS 71 Cb -0.06 -2.10 0.00 0.00 -0.13 0.00 0.00 32.58 30.29 2af2 s HIS 71 CO 0.45 0.05 0.00 0.41 -2.47 0.00 0.00 174.74 173.19 2af2 n GLY 72 N -1.46 0.56 0.00 1.59 0.00 -1.26 -2.41 105.19 102.21 2af2 n GLY 72 Ca -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 0.93 1.00 -0.02 0.00 -1.05 -4.54 105.19 101.51 2af2 n GLY 73 Ca 0.00 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 3.19 0.00 1.61 -0.04 -1.26 -4.66 135.00 133.84 2af2 n PRO 74 Ca 0.00 -2.72 0.00 0.00 -0.04 0.00 0.00 63.50 60.74 2af2 n PRO 74 Cb 0.00 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 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 -0.04 0.00 -3.62 0.54 2.85 -1.26 -5.10 118.16 111.53 2af2 n LYS 75 Ca 0.20 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.14 2af2 n LYS 75 Cb 0.83 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 35.16 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 -0.31 6.55 0.00 -5.58 2.15 -1.26 -5.05 116.67 113.17 2af2 s ASP 76 Ca 0.00 0.68 0.21 0.00 0.43 0.00 0.00 52.55 53.87 2af2 s ASP 76 Cb 0.00 -2.13 -0.18 0.00 -0.30 0.00 0.00 42.92 40.31 2af2 s ASP 76 CO 0.00 0.09 0.91 -0.62 -0.17 0.00 0.00 175.17 175.38 2af2 n GLU 77 N 0.40 0.44 0.00 4.34 1.02 -1.26 -2.53 120.64 123.04 2af2 n GLU 77 Ca -0.04 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 2af2 n GLU 77 Cb 0.52 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 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 -1.20 0.00 -1.85 3.49 -0.58 -1.26 -4.97 120.64 114.26 2af2 n GLU 78 Ca 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 2af2 n GLU 78 Cb 0.35 -0.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.76 2af2 n GLU 78 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2af2 n ARG 79 N -0.40 -3.60 -0.57 3.49 1.85 -1.24 -4.94 116.66 111.26 2af2 n ARG 79 Ca 0.00 2.76 -0.30 0.00 -1.00 0.00 0.00 57.85 59.31 2af2 n ARG 79 Cb 0.00 -3.29 0.22 0.00 -1.05 0.00 0.00 32.46 28.34 2af2 n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2af2 n HIS 80 N 1.26 -0.43 0.23 2.89 8.25 -1.25 -4.86 115.22 121.30 2af2 n HIS 80 Ca 0.00 0.08 0.17 0.00 -0.26 0.00 0.00 57.72 57.71 2af2 n HIS 80 Cb 0.00 -1.82 0.85 0.00 1.12 0.00 0.00 29.99 30.15 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 -2.34 0.45 -0.78 1.59 2.07 -1.57 -2.15 116.25 113.53 2af2 h VAL 81 Ca -0.54 0.00 -0.42 0.00 0.82 0.00 0.00 66.70 66.56 2af2 h VAL 81 Cb 1.31 0.86 -0.24 0.00 -1.52 0.00 0.00 31.29 31.70 2af2 h VAL 81 CO 0.45 0.00 0.54 0.61 0.02 0.00 0.00 177.57 179.19 2af2 n GLY 82 N -1.38 4.10 3.53 2.17 0.00 -1.08 -4.91 105.19 107.62 2af2 n GLY 82 Ca 0.01 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 2af2 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2af2 s ASP 83 N -0.83 4.34 0.16 1.61 1.11 -0.81 -0.11 116.67 122.15 2af2 s ASP 83 Ca 0.45 -0.11 -0.06 0.00 0.18 0.00 0.00 52.55 53.01 2af2 s ASP 83 Cb 0.38 -1.03 -0.02 0.00 1.07 0.00 0.00 42.92 43.32 2af2 s ASP 83 CO 0.07 0.35 0.21 -0.76 1.18 0.00 0.00 175.17 176.23 2af2 s LEU 84 N -0.74 1.18 0.00 1.23 1.43 -1.26 -4.94 118.68 115.58 2af2 s LEU 84 Ca 0.11 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 2af2 s LEU 84 Cb -0.11 0.89 0.00 0.00 0.03 0.00 0.00 46.19 47.00 2af2 s LEU 84 CO 0.01 -0.86 0.00 0.61 0.23 0.00 0.00 176.35 176.34 2af2 n GLY 85 N -0.19 0.63 3.56 -3.19 0.00 -1.23 -4.50 105.19 100.25 2af2 n GLY 85 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 4.33 0.64 1.61 2.20 -1.26 -0.71 114.94 120.75 2af2 s ASN 86 Ca 0.00 -0.33 0.00 0.00 -0.94 0.00 0.00 52.86 51.60 2af2 s ASN 86 Cb 0.00 -0.86 0.08 0.00 -2.00 0.00 0.00 41.25 38.48 2af2 s ASN 86 CO 0.00 0.22 0.89 0.54 -2.94 0.00 0.00 177.10 175.81 2af2 s VAL 87 N -1.09 2.37 -0.04 3.54 0.11 0.13 -4.90 120.40 120.52 2af2 s VAL 87 Ca 0.19 -0.63 -0.02 0.00 -2.93 0.00 0.00 61.98 58.59 2af2 s VAL 87 Cb -0.11 -2.73 0.03 0.00 -1.53 0.00 0.00 36.38 32.04 2af2 s VAL 87 CO 0.10 0.00 0.07 -0.89 -3.33 0.00 0.00 175.10 171.05 2af2 s THR 88 N -2.96 -0.10 0.20 5.04 2.01 -1.26 -0.25 115.64 118.31 2af2 s THR 88 Ca 0.62 0.34 -0.28 0.00 0.31 0.00 0.00 61.69 62.68 2af2 s THR 88 Cb -0.08 -0.15 -0.08 0.00 0.01 0.00 0.00 72.50 72.20 2af2 s THR 88 CO 0.41 0.14 0.86 0.00 -0.69 0.00 0.00 174.62 175.34 2af2 s ALA 89 N 1.75 3.39 0.71 7.40 0.00 -0.79 -4.13 121.76 130.10 2af2 s ALA 89 Ca -0.01 0.49 -0.13 0.00 0.00 0.00 0.00 51.96 52.31 2af2 s ALA 89 Cb -0.12 -3.08 0.03 0.00 0.00 0.00 0.00 23.12 19.94 2af2 s ALA 89 CO -0.03 0.24 1.10 -0.51 0.00 0.00 0.00 175.76 176.56 2af2 s ASP 90 N -1.12 4.81 0.00 0.00 1.01 0.43 -2.00 116.67 119.81 2af2 s ASP 90 Ca 0.38 1.93 0.04 0.00 0.71 0.00 0.00 52.55 55.61 2af2 s ASP 90 Cb -0.24 -2.54 0.26 0.00 1.01 0.00 0.00 42.92 41.41 2af2 s ASP 90 CO 0.29 -1.83 0.77 2.29 0.21 0.00 0.00 175.17 176.90 2af2 n LYS 91 N -2.93 0.13 -0.21 8.23 2.85 -1.26 -0.84 118.16 124.14 2af2 n LYS 91 Ca 0.10 0.03 0.12 0.00 -1.05 0.00 0.00 58.31 57.50 2af2 n LYS 91 Cb 0.52 -1.50 0.23 0.00 -0.65 0.00 0.00 35.03 33.64 2af2 n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2af2 n ASP 92 N -1.03 3.50 0.00 -5.58 8.00 -1.26 -5.00 116.55 115.18 2af2 n ASP 92 Ca 0.03 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.54 2af2 n ASP 92 Cb 0.02 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 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 1.53 0.66 3.44 0.44 0.00 -0.02 -4.96 105.19 106.28 2af2 n GLY 93 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.56 3.06 -0.18 1.61 0.11 -1.25 -0.64 120.40 120.54 2af2 s VAL 94 Ca 0.00 -0.70 -0.08 0.00 -2.93 0.00 0.00 61.98 58.27 2af2 s VAL 94 Cb 0.00 -2.23 -0.04 0.00 -1.53 0.00 0.00 36.38 32.58 2af2 s VAL 94 CO 0.00 0.57 0.07 0.00 -3.33 0.00 0.00 175.10 172.41 2af2 s ALA 95 N -0.32 3.44 0.18 1.54 0.00 0.60 -0.42 121.76 126.77 2af2 s ALA 95 Ca 0.03 -0.74 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 2af2 s ALA 95 Cb -0.13 -1.95 -0.07 0.00 0.00 0.00 0.00 23.12 20.98 2af2 s ALA 95 CO 0.02 0.17 0.49 0.34 0.00 0.00 0.00 175.76 176.79 2af2 s ASP 96 N 0.38 6.61 -0.05 0.00 2.15 -1.26 -0.89 116.67 123.60 2af2 s ASP 96 Ca 0.04 0.84 -0.00 0.00 0.43 0.00 0.00 52.55 53.85 2af2 s ASP 96 Cb -0.12 -2.19 0.03 0.00 -0.30 0.00 0.00 42.92 40.33 2af2 s ASP 96 CO -0.00 0.00 -0.01 -0.69 -0.17 0.00 0.00 175.17 174.31 2af2 s VAL 97 N -1.70 0.34 -0.48 1.11 1.01 0.01 -4.75 120.40 115.93 2af2 s VAL 97 Ca 0.43 0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.55 2af2 s VAL 97 Cb -0.12 -0.45 0.21 0.00 0.00 0.00 0.00 36.38 36.01 2af2 s VAL 97 CO 0.21 0.22 0.70 -1.54 0.00 0.00 0.00 175.10 174.70 2af2 n SER 98 N 4.66 -2.54 -4.26 3.32 3.41 -1.24 -0.54 113.62 116.43 2af2 n SER 98 Ca -0.16 -2.94 -0.15 0.00 -0.26 0.00 0.00 58.87 55.37 2af2 n SER 98 Cb 0.50 1.23 -0.10 0.00 -0.26 0.00 0.00 64.21 65.59 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 0.51 1.26 -0.13 -1.33 1.01 -0.09 -4.97 121.20 117.46 2af2 s ILE 99 Ca 0.31 -2.05 -0.05 0.00 0.00 0.00 0.00 60.65 58.86 2af2 s ILE 99 Cb 0.09 -1.85 0.06 0.00 0.01 0.00 0.00 42.46 40.78 2af2 s ILE 99 CO -0.14 -0.70 0.27 -0.70 0.00 0.00 0.00 174.94 173.67 2af2 s GLU 100 N -3.64 0.17 -0.06 2.79 2.12 -1.26 0.56 118.70 119.37 2af2 s GLU 100 Ca 0.17 0.74 0.03 0.00 0.36 0.00 0.00 54.97 56.27 2af2 s GLU 100 Cb 0.01 -0.03 0.01 0.00 0.26 0.00 0.00 34.13 34.38 2af2 s GLU 100 CO 0.02 -0.27 -0.16 0.34 -0.54 0.00 0.00 175.26 174.65 2af2 s ASP 101 N 2.27 2.13 -1.36 -1.70 -1.08 -0.97 -4.98 116.67 110.98 2af2 s ASP 101 Ca -0.00 -0.36 -0.08 0.00 -0.52 0.00 0.00 52.55 51.58 2af2 s ASP 101 Cb -0.12 -0.85 -0.05 0.00 -1.46 0.00 0.00 42.92 40.44 2af2 s ASP 101 CO -0.09 0.10 2.88 -1.54 0.52 0.00 0.00 175.17 177.03 2af2 n SER 102 N 3.54 8.20 0.00 -0.34 3.41 -1.26 -3.38 113.62 123.78 2af2 n SER 102 Ca -0.21 -2.73 0.00 0.00 -0.26 0.00 0.00 58.87 55.67 2af2 n SER 102 Cb 0.52 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 2af2 n SER 102 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2af2 n VAL 103 N 2.91 0.00 -3.25 -3.33 3.14 -1.26 -5.02 118.33 111.53 2af2 n VAL 103 Ca 0.70 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.72 2af2 n VAL 103 Cb 0.31 -0.10 -0.06 0.00 -1.06 0.00 0.00 33.84 32.93 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 -1.49 4.72 0.15 1.55 -0.00 -1.26 -4.98 121.20 119.90 2af2 s ILE 104 Ca 0.00 1.11 0.04 0.00 -0.00 0.00 0.00 60.65 61.80 2af2 s ILE 104 Cb 0.00 -3.84 -0.05 0.00 -0.00 0.00 0.00 42.46 38.58 2af2 s ILE 104 CO 0.00 0.34 -0.08 -0.94 -0.00 0.00 0.00 174.94 174.26 2af2 s SER 105 N -1.49 1.69 -0.89 4.36 1.04 -1.26 -3.35 113.70 113.79 2af2 s SER 105 Ca 0.36 -1.05 -0.25 0.00 0.48 0.00 0.00 55.95 55.50 2af2 s SER 105 Cb -0.17 0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.00 2af2 s SER 105 CO 0.20 -0.39 1.39 -0.76 0.98 0.00 0.00 173.24 174.66 2af2 s LEU 106 N -3.17 3.34 0.00 2.42 1.43 -1.26 -1.37 118.68 120.07 2af2 s LEU 106 Ca 0.18 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 2af2 s LEU 106 Cb 0.03 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.69 2af2 s LEU 106 CO 0.01 -1.69 0.00 -0.24 0.23 0.00 0.00 176.35 174.67 2af2 n SER 107 N 9.23 1.10 0.00 2.29 2.88 -0.16 -4.69 113.62 124.27 2af2 n SER 107 Ca 0.20 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2af2 n SER 107 Cb 0.50 0.40 0.00 0.00 -0.75 0.00 0.00 64.21 64.36 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 0.73 2.13 0.07 0.46 0.00 0.04 -4.40 105.19 104.22 2af2 n GLY 108 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 3.99 1.69 -0.03 1.61 -0.08 -1.26 -4.58 116.55 117.89 2af2 n ASP 109 Ca 0.00 0.55 0.13 0.00 -1.51 0.00 0.00 54.79 53.97 2af2 n ASP 109 Cb 0.00 -0.82 0.78 0.00 2.34 0.00 0.00 41.12 43.42 2af2 n ASP 109 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2af2 n HIS 110 N -4.41 0.00 0.00 -0.67 -0.00 -1.26 -4.75 115.22 104.13 2af2 n HIS 110 Ca -0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.64 2af2 n HIS 110 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.28 2af2 n HIS 110 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2af2 n SER 111 N -0.85 0.00 -4.21 0.41 7.64 -1.26 -4.84 113.62 110.51 2af2 n SER 111 Ca 0.20 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.96 2af2 n SER 111 Cb 0.11 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.21 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 0.00 0.66 0.00 0.44 -4.36 -0.47 -4.90 121.20 112.57 2af2 s ILE 112 Ca 0.00 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 2af2 s ILE 112 Cb 0.00 -1.95 0.00 0.00 1.25 0.00 0.00 42.46 41.76 2af2 s ILE 112 CO 0.00 -0.63 0.00 -0.38 0.24 0.00 0.00 174.94 174.17 2af2 n ILE 113 N -0.16 0.00 0.00 8.37 2.08 -1.26 -0.78 119.36 127.61 2af2 n ILE 113 Ca -0.09 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.22 2af2 n ILE 113 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.51 2af2 n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2af2 n GLY 114 N 0.49 2.26 3.80 7.39 0.00 0.27 -4.70 105.19 114.71 2af2 n GLY 114 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2af2 n GLY 114 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2af2 s ARG 115 N 0.00 2.25 -0.25 1.61 1.70 -1.26 -1.86 118.95 121.14 2af2 s ARG 115 Ca 0.00 0.72 0.02 0.00 -0.47 0.00 0.00 55.73 56.01 2af2 s ARG 115 Cb 0.00 -1.93 0.06 0.00 -0.57 0.00 0.00 34.95 32.51 2af2 s ARG 115 CO 0.00 -1.53 -0.10 0.99 -1.08 0.00 0.00 175.30 173.58 2af2 s THR 116 N -3.12 2.01 -0.26 4.99 2.01 -1.10 -2.68 115.64 117.49 2af2 s THR 116 Ca 0.60 -1.48 -0.11 0.00 0.31 0.00 0.00 61.69 61.01 2af2 s THR 116 Cb -0.14 -2.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 2af2 s THR 116 CO 0.54 -0.00 0.19 -0.22 -0.69 0.00 0.00 174.62 174.44 2af2 s LEU 117 N 1.19 4.08 0.15 4.42 2.96 0.22 -0.48 118.68 131.21 2af2 s LEU 117 Ca -0.07 0.08 0.11 0.00 -0.22 0.00 0.00 54.13 54.03 2af2 s LEU 117 Cb -0.19 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 2af2 s LEU 117 CO -0.06 0.01 -0.25 0.54 -1.32 0.00 0.00 176.35 175.27 2af2 s VAL 118 N 1.38 2.17 -0.04 1.68 0.11 -0.01 -0.25 120.40 125.44 2af2 s VAL 118 Ca 0.08 -1.82 -0.02 0.00 -2.93 0.00 0.00 61.98 57.29 2af2 s VAL 118 Cb -0.15 -1.96 -0.04 0.00 -1.53 0.00 0.00 36.38 32.71 2af2 s VAL 118 CO 0.07 -0.02 0.08 0.54 -3.33 0.00 0.00 175.10 172.44 2af2 s VAL 119 N -1.32 4.82 0.40 2.04 0.11 -0.33 -1.16 120.40 124.95 2af2 s VAL 119 Ca 0.15 -0.25 0.07 0.00 -2.93 0.00 0.00 61.98 59.03 2af2 s VAL 119 Cb -0.09 -3.15 -0.06 0.00 -1.53 0.00 0.00 36.38 31.55 2af2 s VAL 119 CO 0.07 0.45 0.12 -1.00 -3.33 0.00 0.00 175.10 171.42 2af2 s HIS 120 N -1.10 2.59 0.06 1.54 3.76 0.96 -1.24 115.29 121.86 2af2 s HIS 120 Ca 0.20 -0.58 0.09 0.00 -0.15 0.00 0.00 55.06 54.61 2af2 s HIS 120 Cb -0.12 -1.86 -0.22 0.00 1.11 0.00 0.00 32.58 31.50 2af2 s HIS 120 CO 0.10 0.28 1.06 1.05 -0.85 0.00 0.00 174.74 176.38 2af2 h GLU 121 N 1.55 0.01 -6.17 1.40 4.11 -1.46 -3.37 114.58 110.66 2af2 h GLU 121 Ca -0.43 -0.01 -0.49 0.00 0.07 0.00 0.00 59.36 58.49 2af2 h GLU 121 Cb 1.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 2af2 h GLU 121 CO 0.72 0.83 -0.38 0.15 0.07 0.00 0.00 179.01 180.40 2af2 s LYS 122 N -2.67 2.52 1.01 1.06 3.01 -0.31 -4.84 119.74 119.51 2af2 s LYS 122 Ca -0.01 -1.55 -0.11 0.00 -1.01 0.00 0.00 55.97 53.28 2af2 s LYS 122 Cb 0.09 -2.37 0.20 0.00 -1.01 0.00 0.00 37.83 34.74 2af2 s LYS 122 CO 0.82 -0.20 1.09 0.00 0.51 0.00 0.00 175.35 177.57 2af2 s ALA 123 N -2.48 0.74 -0.17 5.17 0.00 -1.19 -0.91 121.76 122.92 2af2 s ALA 123 Ca 0.48 0.27 -0.07 0.00 0.00 0.00 0.00 51.96 52.64 2af2 s ALA 123 Cb -0.03 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 2af2 s ALA 123 CO 0.28 -3.13 0.06 0.34 0.00 0.00 0.00 175.76 173.30 2af2 s ASP 124 N -2.68 5.62 0.34 0.00 -1.08 -1.26 -4.06 116.67 113.55 2af2 s ASP 124 Ca 0.67 0.11 0.14 0.00 -0.52 0.00 0.00 52.55 52.95 2af2 s ASP 124 Cb -0.23 -1.92 0.59 0.00 -1.46 0.00 0.00 42.92 39.90 2af2 s ASP 124 CO 0.60 0.21 1.72 -0.78 0.52 0.00 0.00 175.17 177.44 2af2 h ASP 125 N 6.44 0.00 -5.97 -0.34 1.82 -1.26 -3.48 116.42 113.63 2af2 h ASP 125 Ca -0.39 0.00 -0.42 0.00 -0.39 0.00 0.00 57.03 55.83 2af2 h ASP 125 Cb 1.17 0.00 0.09 0.00 0.68 0.00 0.00 39.33 41.28 2af2 h ASP 125 CO 0.68 0.46 -0.71 0.18 -1.61 0.00 0.00 179.24 178.25 2af2 n LEU 126 N -3.77 -3.19 0.00 2.28 4.77 -1.26 -4.66 117.00 111.17 2af2 n LEU 126 Ca -0.01 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 2af2 n LEU 126 Cb 0.52 -2.91 0.00 0.00 -2.33 0.00 0.00 43.42 38.70 2af2 n LEU 126 CO 0.39 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 2af2 n GLY 127 N -1.90 -2.37 0.40 -0.72 0.00 -1.01 -4.27 105.19 95.32 2af2 n GLY 127 Ca 0.01 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.79 2af2 n GLY 127 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2af2 n LYS 128 N 0.00 0.00 0.00 1.61 4.81 -1.26 -3.95 118.16 119.37 2af2 n LYS 128 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2af2 n LYS 128 Cb 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 35.03 34.63 2af2 n LYS 128 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2af2 n GLY 129 N 1.59 2.26 1.13 3.14 0.00 -1.26 -3.19 105.19 108.86 2af2 n GLY 129 Ca 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 0.67 3.78 -0.02 0.00 -1.26 -5.12 105.19 103.23 2af2 n GLY 130 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.28 -0.15 0.00 1.61 4.22 -1.19 -5.11 114.94 113.04 2af2 s ASN 131 Ca 0.10 -0.47 -0.24 0.00 -2.14 0.00 0.00 52.86 50.11 2af2 s ASN 131 Cb 0.12 0.51 -0.16 0.00 1.28 0.00 0.00 41.25 42.99 2af2 s ASN 131 CO -0.05 -0.95 1.19 -0.08 -2.04 0.00 0.00 177.10 175.17 2af2 h GLU 132 N 2.00 -0.38 0.00 3.55 4.81 -2.01 -3.22 114.58 119.33 2af2 h GLU 132 Ca -0.25 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2af2 h GLU 132 Cb 1.23 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2af2 h GLU 132 CO 0.27 -0.05 0.00 0.93 -0.73 0.00 0.00 179.01 179.43 2af2 h GLU 133 N -0.78 0.00 -0.18 1.92 3.07 -1.98 0.19 114.58 116.83 2af2 h GLU 133 Ca -0.04 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.72 2af2 h GLU 133 Cb 0.51 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 2af2 h GLU 133 CO 0.07 0.00 -0.31 0.77 -1.40 0.00 0.00 179.01 178.14 2af2 h SER 134 N 0.00 0.35 1.58 1.42 0.02 -1.81 0.21 113.55 115.33 2af2 h SER 134 Ca 0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2af2 h SER 134 Cb 0.25 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2af2 h SER 134 CO 0.00 0.65 -0.31 0.71 -1.14 0.00 0.00 176.83 176.74 2af2 h THR 135 N 0.30 0.00 0.00 -2.27 1.35 -0.71 -2.91 112.91 108.67 2af2 h THR 135 Ca 0.04 -0.89 -0.30 0.00 -0.55 0.00 0.00 66.41 64.70 2af2 h THR 135 Cb 0.70 1.73 -0.05 0.00 -1.73 0.00 0.00 68.15 68.80 2af2 h THR 135 CO 0.05 0.00 -2.07 0.29 -0.25 0.00 0.00 175.52 173.54 2af2 n LYS 136 N -2.81 0.43 -0.05 4.72 5.02 -0.84 -2.35 118.16 122.29 2af2 n LYS 136 Ca 0.03 0.15 -0.02 0.00 -2.02 0.00 0.00 58.31 56.45 2af2 n LYS 136 Cb 0.52 -1.27 -0.13 0.00 -0.02 0.00 0.00 35.03 34.13 2af2 n LYS 136 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2af2 n THR 137 N -3.50 0.67 -0.12 -0.18 -1.04 0.64 -3.04 114.28 107.71 2af2 n THR 137 Ca -0.36 -0.56 0.00 0.00 -2.04 0.00 0.00 64.05 61.10 2af2 n THR 137 Cb 0.80 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 2af2 n THR 137 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2af2 n GLY 138 N 1.86 0.94 3.09 3.41 0.00 -0.51 -4.35 105.19 109.62 2af2 n GLY 138 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.06 -5.32 0.00 1.61 2.85 -1.15 -0.70 115.26 112.61 2af2 n ASN 139 Ca 0.00 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.48 2af2 n ASN 139 Cb 0.00 -3.34 0.04 0.00 1.24 0.00 0.00 39.78 37.72 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 1.00 1.38 0.00 5.20 0.00 -1.26 -4.89 120.51 121.94 2af2 n ALA 140 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2af2 n ALA 140 Cb 0.44 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.07 -1.76 3.47 0.00 0.00 -1.26 -1.16 105.19 103.41 2af2 n GLY 141 Ca 0.01 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 2af2 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2af2 s SER 142 N -4.00 0.11 -0.03 1.61 1.04 -1.26 -4.79 113.70 106.38 2af2 s SER 142 Ca 0.00 0.78 0.01 0.00 0.48 0.00 0.00 55.95 57.22 2af2 s SER 142 Cb 0.00 -1.11 0.02 0.00 0.10 0.00 0.00 66.02 65.02 2af2 s SER 142 CO 0.00 -4.64 -0.03 0.00 0.98 0.00 0.00 173.24 169.55 2af2 s ARG 143 N -5.20 0.51 0.00 4.02 1.70 -1.26 -2.08 118.95 116.64 2af2 s ARG 143 Ca 0.70 -0.05 0.00 0.00 -0.47 0.00 0.00 55.73 55.91 2af2 s ARG 143 Cb -0.12 -0.58 0.00 0.00 -0.57 0.00 0.00 34.95 33.68 2af2 s ARG 143 CO 0.57 -0.05 0.00 1.47 -1.08 0.00 0.00 175.30 176.21 2af2 n LEU 144 N 3.80 0.00 -4.73 -1.89 -0.00 -0.37 -4.99 117.00 108.81 2af2 n LEU 144 Ca -0.23 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.37 2af2 n LEU 144 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.90 2af2 n LEU 144 CO 0.24 0.00 0.75 0.00 -0.00 0.00 0.00 177.39 178.37 2af2 s ALA 145 N -3.67 3.32 0.04 1.47 0.00 -1.26 -4.29 121.76 117.38 2af2 s ALA 145 Ca 0.00 0.72 -0.03 0.00 0.00 0.00 0.00 51.96 52.65 2af2 s ALA 145 Cb 0.00 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 2af2 s ALA 145 CO 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 175.76 175.65 2af2 s GLY 147 N -2.15 -0.15 0.97 0.00 0.00 0.66 -0.69 107.32 105.96 2af2 s GLY 147 Ca -0.05 1.02 -0.13 0.00 0.00 0.00 0.00 44.72 45.56 2af2 s GLY 147 CO -0.05 1.27 1.12 0.14 0.00 0.00 0.00 173.10 175.58 2af2 s VAL 148 N 1.27 1.98 -0.08 1.40 1.01 -1.26 -0.61 120.40 124.11 2af2 s VAL 148 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2af2 s VAL 148 Cb -0.10 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.67 2af2 s VAL 148 CO -0.09 0.00 -0.10 -0.63 0.00 0.00 0.00 175.10 174.28 2af2 s ILE 149 N -3.14 1.04 0.00 2.22 -1.09 -1.09 -4.43 121.20 114.71 2af2 s ILE 149 Ca 0.65 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 2af2 s ILE 149 Cb -0.16 -0.99 0.00 0.00 -1.58 0.00 0.00 42.46 39.72 2af2 s ILE 149 CO 0.55 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 175.22 2af2 n GLY 150 N 4.24 4.15 2.40 6.18 0.00 -1.26 -0.56 105.19 120.33 2af2 n GLY 150 Ca -0.19 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.23 2af2 n GLY 150 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2af2 n ILE 151 N 0.00 -0.39 0.23 -0.61 -6.64 -1.26 -3.39 119.36 107.29 2af2 n ILE 151 Ca 0.00 -3.12 0.13 0.00 -1.77 0.00 0.00 62.75 57.98 2af2 n ILE 151 Cb 0.00 -0.53 0.29 0.00 -1.44 0.00 0.00 39.64 37.97 2af2 n ILE 151 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2af2 h ALA 152 N 3.87 0.98 0.00 -1.28 0.00 -1.48 -3.48 119.26 117.87 2af2 h ALA 152 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2af2 h ALA 152 Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2af2 h ALA 152 CO 0.40 0.05 0.00 1.04 0.00 0.00 0.00 179.25 180.74