#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g2p n ILE 5 N 0.00 0.00 -3.75 -1.44 -5.35 -1.26 -4.78 119.36 102.78 2g2p n ILE 5 Ca 0.00 -0.14 -0.22 0.00 -0.27 0.00 0.00 62.75 62.12 2g2p n ILE 5 Cb 0.00 0.19 -0.18 0.00 -1.74 0.00 0.00 39.64 37.91 2g2p n ILE 5 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2g2p s LEU 6 N -2.25 0.50 0.15 7.28 2.96 -1.25 -0.15 118.68 125.91 2g2p s LEU 6 Ca 0.33 -0.05 0.10 0.00 -0.22 0.00 0.00 54.13 54.30 2g2p s LEU 6 Cb 0.20 -0.38 -0.04 0.00 0.50 0.00 0.00 46.19 46.47 2g2p s LEU 6 CO 0.42 -0.20 -0.24 -0.44 -1.32 0.00 0.00 176.35 174.57 2g2p s SER 7 N 2.01 3.09 0.04 3.68 0.01 -0.67 -0.80 113.70 121.07 2g2p s SER 7 Ca 0.05 -0.78 -0.01 0.00 1.31 0.00 0.00 55.95 56.52 2g2p s SER 7 Cb -0.12 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.87 2g2p s SER 7 CO -0.05 0.11 -0.02 0.68 0.41 0.00 0.00 173.24 174.37 2g2p s VAL 8 N -1.37 0.19 0.12 3.43 -7.23 -0.82 -1.41 120.40 113.30 2g2p s VAL 8 Ca 0.14 -1.55 -0.13 0.00 -1.81 0.00 0.00 61.98 58.63 2g2p s VAL 8 Cb -0.09 -1.17 0.02 0.00 0.56 0.00 0.00 36.38 35.70 2g2p s VAL 8 CO 0.07 -0.85 0.33 -1.38 -0.31 0.00 0.00 175.10 172.95 2g2p s HIS 9 N -3.23 -0.06 -0.09 2.82 -3.43 -1.22 -1.19 115.29 108.88 2g2p s HIS 9 Ca 0.01 -0.30 0.01 0.00 -0.80 0.00 0.00 55.06 53.98 2g2p s HIS 9 Cb 0.03 0.14 0.02 0.00 -1.43 0.00 0.00 32.58 31.34 2g2p s HIS 9 CO -0.07 -0.65 -0.12 0.42 -2.00 0.00 0.00 174.74 172.31 2g2p s ILE 10 N -3.83 1.23 -0.18 -5.38 1.01 -0.43 -0.40 121.20 113.22 2g2p s ILE 10 Ca 0.04 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.17 2g2p s ILE 10 Cb 0.03 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.33 2g2p s ILE 10 CO -0.11 0.39 -0.05 -0.22 0.00 0.00 0.00 174.94 174.94 2g2p s LEU 11 N 1.03 2.99 -0.56 2.97 2.96 0.66 -1.87 118.68 126.85 2g2p s LEU 11 Ca -0.07 -0.29 -0.28 0.00 -0.22 0.00 0.00 54.13 53.27 2g2p s LEU 11 Cb -0.15 -1.73 0.03 0.00 0.50 0.00 0.00 46.19 44.84 2g2p s LEU 11 CO -0.01 0.08 1.18 0.21 -1.32 0.00 0.00 176.35 176.49 2g2p s ASN 12 N 0.90 6.48 0.00 3.68 3.84 -0.31 -0.64 114.94 128.89 2g2p s ASN 12 Ca -0.01 0.17 0.17 0.00 0.21 0.00 0.00 52.86 53.40 2g2p s ASN 12 Cb -0.15 -2.55 0.75 0.00 -0.55 0.00 0.00 41.25 38.75 2g2p s ASN 12 CO 0.01 -1.44 1.55 0.00 -2.79 0.00 0.00 177.10 174.43 2g2p n GLN 13 N 8.33 0.02 0.04 0.43 6.02 0.24 -0.80 117.38 131.66 2g2p n GLN 13 Ca 0.09 0.20 -0.02 0.00 -0.01 0.00 0.00 57.00 57.25 2g2p n GLN 13 Cb 0.49 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.17 2g2p n GLN 13 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2g2p h GLN 14 N 0.00 0.00 0.00 -1.09 4.20 -1.91 -3.37 115.11 112.95 2g2p h GLN 14 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2g2p h GLN 14 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2g2p h GLN 14 CO 0.00 0.48 -0.87 0.25 -0.67 0.00 0.00 178.83 178.01 2g2p n THR 15 N -3.05 0.00 -2.23 -0.54 -2.24 -1.12 -5.00 114.28 100.09 2g2p n THR 15 Ca -0.08 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.27 2g2p n THR 15 Cb 0.88 0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 69.83 2g2p n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2g2p n GLY 16 N 1.46 -0.05 3.18 3.38 0.00 0.02 -5.00 105.19 108.18 2g2p n GLY 16 Ca 0.01 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 2g2p n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g2p s LYS 17 N -4.73 0.87 0.74 1.61 1.02 -1.17 -4.98 119.74 113.10 2g2p s LYS 17 Ca 0.00 -1.32 -0.15 0.00 0.02 0.00 0.00 55.97 54.52 2g2p s LYS 17 Cb 0.00 -0.34 0.04 0.00 -0.52 0.00 0.00 37.83 37.02 2g2p s LYS 17 CO 0.00 0.02 1.22 -2.30 -0.92 0.00 0.00 175.35 173.37 2g2p n PRO 18 N 0.05 0.55 -3.30 -1.68 -0.02 -1.26 -1.17 135.00 128.17 2g2p n PRO 18 Ca -0.13 0.26 -0.44 0.00 -2.02 0.00 0.00 63.50 61.17 2g2p n PRO 18 Cb 0.60 -2.46 -0.08 0.00 -0.02 0.00 0.00 33.50 31.54 2g2p n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2g2p s ALA 19 N -1.83 3.46 0.26 3.55 0.00 -0.78 -4.65 121.76 121.77 2g2p s ALA 19 Ca 0.77 -1.77 -0.06 0.00 0.00 0.00 0.00 51.96 50.90 2g2p s ALA 19 Cb -0.33 -3.14 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 2g2p s ALA 19 CO 0.47 -1.75 0.54 0.00 0.00 0.00 0.00 175.76 175.02 2g2p s ALA 20 N 2.10 3.62 -1.53 0.00 0.00 -1.26 -4.29 121.76 120.41 2g2p s ALA 20 Ca 0.10 -0.48 -0.05 0.00 0.00 0.00 0.00 51.96 51.54 2g2p s ALA 20 Cb -0.20 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 20.60 2g2p s ALA 20 CO 0.11 0.36 0.62 -3.47 0.00 0.00 0.00 175.76 173.37 2g2p n ASP 21 N -0.61 -6.09 -4.65 0.00 2.03 0.23 -4.94 116.55 102.51 2g2p n ASP 21 Ca -0.01 -0.29 -0.38 0.00 0.52 0.00 0.00 54.79 54.63 2g2p n ASP 21 Cb 0.53 -4.90 -0.08 0.00 -0.72 0.00 0.00 41.12 35.95 2g2p n ASP 21 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2g2p s VAL 22 N -3.18 5.18 0.24 5.18 1.01 -1.26 -4.81 120.40 122.77 2g2p s VAL 22 Ca 0.31 0.70 -0.30 0.00 0.00 0.00 0.00 61.98 62.68 2g2p s VAL 22 Cb -0.13 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 2g2p s VAL 22 CO 0.38 0.22 1.34 -0.89 0.00 0.00 0.00 175.10 176.14 2g2p s THR 23 N 1.53 2.96 -0.06 3.92 2.01 -1.26 -1.61 115.64 123.14 2g2p s THR 23 Ca 0.18 0.84 0.00 0.00 0.31 0.00 0.00 61.69 63.02 2g2p s THR 23 Cb -0.15 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 68.85 2g2p s THR 23 CO 0.08 0.15 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.44 2g2p s VAL 24 N -0.25 0.53 0.16 3.82 1.01 0.67 -0.70 120.40 125.63 2g2p s VAL 24 Ca 0.55 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.51 2g2p s VAL 24 Cb -0.38 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2g2p s VAL 24 CO 0.43 0.25 0.27 0.42 0.00 0.00 0.00 175.10 176.47 2g2p s THR 25 N 1.36 5.19 -0.10 3.92 -4.23 -0.56 -1.58 115.64 119.65 2g2p s THR 25 Ca -0.04 -0.77 0.03 0.00 -1.18 0.00 0.00 61.69 59.73 2g2p s THR 25 Cb -0.13 -3.68 0.01 0.00 1.34 0.00 0.00 72.50 70.03 2g2p s THR 25 CO -0.03 -0.11 -0.19 -0.22 -0.54 0.00 0.00 174.62 173.53 2g2p s LEU 26 N -3.27 1.92 0.13 4.79 2.96 -0.23 -1.44 118.68 123.54 2g2p s LEU 26 Ca 0.34 -0.48 0.06 0.00 -0.22 0.00 0.00 54.13 53.83 2g2p s LEU 26 Cb -0.11 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.33 2g2p s LEU 26 CO 0.28 0.10 -0.14 -1.61 -1.32 0.00 0.00 176.35 173.65 2g2p s GLU 27 N 0.57 1.07 -0.07 1.98 2.02 -0.03 -0.09 118.70 124.15 2g2p s GLU 27 Ca -0.15 -1.28 -0.00 0.00 0.02 0.00 0.00 54.97 53.56 2g2p s GLU 27 Cb -0.17 -0.96 -0.03 0.00 0.10 0.00 0.00 34.13 33.07 2g2p s GLU 27 CO 0.05 0.18 -0.04 0.21 0.02 0.00 0.00 175.26 175.69 2g2p s LYS 28 N -2.75 2.85 0.21 1.61 2.20 0.54 -1.30 119.74 123.09 2g2p s LYS 28 Ca 0.10 -0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 54.93 2g2p s LYS 28 Cb -0.05 -2.68 -0.08 0.00 -1.51 0.00 0.00 37.83 33.51 2g2p s LYS 28 CO 0.03 0.68 1.09 0.21 -0.36 0.00 0.00 175.35 177.01 2g2p s LYS 29 N -0.88 4.62 -0.24 4.03 2.20 -0.20 -0.25 119.74 129.02 2g2p s LYS 29 Ca 0.13 1.74 -0.11 0.00 -0.36 0.00 0.00 55.97 57.36 2g2p s LYS 29 Cb -0.11 -3.25 0.09 0.00 -1.51 0.00 0.00 37.83 33.04 2g2p s LYS 29 CO 0.02 0.13 0.56 0.00 -0.36 0.00 0.00 175.35 175.71 2g2p s ALA 30 N -0.55 -1.57 -1.52 3.13 0.00 -0.74 -4.77 121.76 115.74 2g2p s ALA 30 Ca 0.48 2.01 -0.06 0.00 0.00 0.00 0.00 51.96 54.39 2g2p s ALA 30 Cb -0.30 -1.35 0.05 0.00 0.00 0.00 0.00 23.12 21.52 2g2p s ALA 30 CO 0.37 -0.53 0.45 -0.25 0.00 0.00 0.00 175.76 175.80 2g2p n ASP 31 N 4.72 -0.93 0.00 0.00 8.00 -1.26 -0.35 116.55 126.73 2g2p n ASP 31 Ca -0.17 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.27 2g2p n ASP 31 Cb 0.54 -2.69 0.00 0.00 -0.02 0.00 0.00 41.12 38.95 2g2p n ASP 31 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2g2p n ASN 32 N -2.87 0.00 -1.17 -2.24 3.02 -1.26 -4.96 115.26 105.78 2g2p n ASN 32 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 2g2p n ASN 32 Cb 0.63 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 2g2p n ASN 32 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2g2p n GLY 33 N -2.00 4.92 2.80 7.41 0.00 0.52 -5.16 105.19 113.68 2g2p n GLY 33 Ca 0.00 -2.13 -0.16 0.00 0.00 0.00 0.00 46.02 43.73 2g2p n GLY 33 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2g2p s TRP 34 N 0.17 0.19 -0.21 1.61 0.52 -1.26 -1.79 118.94 118.17 2g2p s TRP 34 Ca 0.00 0.05 -0.09 0.00 0.02 0.00 0.00 56.10 56.08 2g2p s TRP 34 Cb 0.00 -0.32 -0.04 0.00 -1.15 0.00 0.00 33.47 31.96 2g2p s TRP 34 CO 0.00 -0.11 0.10 -1.17 0.02 0.00 0.00 176.95 175.80 2g2p s LEU 35 N 0.98 3.91 0.11 2.99 2.96 0.66 -4.89 118.68 125.39 2g2p s LEU 35 Ca -0.09 0.07 -0.31 0.00 -0.22 0.00 0.00 54.13 53.58 2g2p s LEU 35 Cb -0.13 -2.02 -0.08 0.00 0.50 0.00 0.00 46.19 44.47 2g2p s LEU 35 CO -0.02 0.12 1.39 -1.58 -1.32 0.00 0.00 176.35 174.93 2g2p s GLN 36 N 0.73 4.32 -0.07 1.98 0.74 -1.26 -0.34 119.66 125.77 2g2p s GLN 36 Ca 0.05 2.07 0.10 0.00 0.05 0.00 0.00 55.36 57.63 2g2p s GLN 36 Cb -0.13 -3.26 -0.14 0.00 1.10 0.00 0.00 33.01 30.58 2g2p s GLN 36 CO 0.02 -0.44 0.11 1.28 -0.55 0.00 0.00 175.29 175.70 2g2p n LEU 37 N 4.01 0.00 -3.61 3.68 4.77 0.87 -4.91 117.00 121.81 2g2p n LEU 37 Ca 0.12 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.03 2g2p n LEU 37 Cb 0.42 0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 2g2p n LEU 37 CO 0.59 0.16 0.71 0.21 -1.33 0.00 0.00 177.39 177.73 2g2p s ASN 38 N -3.89 -0.28 -0.10 -1.43 2.47 -1.06 -4.63 114.94 106.03 2g2p s ASN 38 Ca -0.05 -0.17 -0.11 0.00 0.42 0.00 0.00 52.86 52.96 2g2p s ASN 38 Cb 0.04 0.42 0.03 0.00 -1.45 0.00 0.00 41.25 40.29 2g2p s ASN 38 CO 0.43 -0.72 0.30 0.28 -3.72 0.00 0.00 177.10 173.66 2g2p s THR 39 N -3.16 0.01 0.36 -5.21 -1.32 -1.26 -1.07 115.64 103.98 2g2p s THR 39 Ca 0.08 -0.07 -0.12 0.00 -1.21 0.00 0.00 61.69 60.37 2g2p s THR 39 Cb -0.01 -0.44 0.03 0.00 -1.51 0.00 0.00 72.50 70.57 2g2p s THR 39 CO -0.04 -0.04 0.68 0.00 -2.21 0.00 0.00 174.62 173.01 2g2p s ALA 40 N -0.04 -0.34 -0.06 11.08 0.00 -0.61 -4.99 121.76 126.79 2g2p s ALA 40 Ca -0.02 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.06 2g2p s ALA 40 Cb -0.03 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 2g2p s ALA 40 CO 0.01 -0.93 -0.22 0.15 0.00 0.00 0.00 175.76 174.77 2g2p s LYS 41 N -2.77 2.32 0.37 0.00 1.02 -1.26 -0.24 119.74 119.18 2g2p s LYS 41 Ca 0.20 -0.78 -0.28 0.00 0.02 0.00 0.00 55.97 55.12 2g2p s LYS 41 Cb -0.04 -1.94 -0.11 0.00 -0.52 0.00 0.00 37.83 35.22 2g2p s LYS 41 CO 0.13 0.29 1.49 0.25 -0.92 0.00 0.00 175.35 176.59 2g2p n THR 42 N 3.13 1.90 -0.89 2.17 -2.24 -0.63 -4.79 114.28 112.92 2g2p n THR 42 Ca -0.18 -0.47 -0.08 0.00 -2.27 0.00 0.00 64.05 61.04 2g2p n THR 42 Cb 0.52 -1.95 0.06 0.00 -2.10 0.00 0.00 70.33 66.87 2g2p n THR 42 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2g2p n ASP 43 N 0.65 -0.76 0.32 3.42 5.68 0.02 -0.60 116.55 125.28 2g2p n ASP 43 Ca 0.02 -0.86 0.20 0.00 -0.50 0.00 0.00 54.79 53.65 2g2p n ASP 43 Cb 0.38 -0.27 1.06 0.00 -1.14 0.00 0.00 41.12 41.15 2g2p n ASP 43 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2g2p h LYS 44 N 0.00 0.00 -0.27 0.11 2.10 -1.94 0.60 116.57 117.17 2g2p h LYS 44 Ca -0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 2g2p h LYS 44 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 2g2p h LYS 44 CO 0.08 0.01 0.00 -0.25 -2.00 0.00 0.00 179.45 177.29 2g2p n ASP 45 N -3.19 2.08 -0.54 7.07 8.00 -1.26 -4.76 116.55 123.94 2g2p n ASP 45 Ca -0.02 -1.83 -0.07 0.00 0.71 0.00 0.00 54.79 53.58 2g2p n ASP 45 Cb 0.13 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 2g2p n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2g2p n GLY 46 N 1.19 0.91 3.59 0.44 0.00 0.20 -4.74 105.19 106.78 2g2p n GLY 46 Ca 0.16 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 2g2p n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2g2p s ARG 47 N -2.46 2.24 -0.32 1.61 0.52 -1.26 -1.31 118.95 117.97 2g2p s ARG 47 Ca 0.00 -0.95 0.04 0.00 -0.52 0.00 0.00 55.73 54.29 2g2p s ARG 47 Cb 0.00 -2.36 0.09 0.00 0.52 0.00 0.00 34.95 33.20 2g2p s ARG 47 CO 0.00 0.53 0.01 0.42 0.02 0.00 0.00 175.30 176.28 2g2p s ILE 48 N -1.18 2.20 0.25 1.52 1.01 -0.33 -0.80 121.20 123.87 2g2p s ILE 48 Ca 0.21 -2.13 0.04 0.00 0.00 0.00 0.00 60.65 58.76 2g2p s ILE 48 Cb -0.11 -2.55 -0.00 0.00 0.01 0.00 0.00 42.46 39.81 2g2p s ILE 48 CO 0.13 -0.45 1.62 0.11 0.00 0.00 0.00 174.94 176.34 2g2p h LYS 49 N 7.67 0.32 -2.67 2.79 1.57 -1.88 -2.19 116.57 122.18 2g2p h LYS 49 Ca -0.08 -0.18 -0.60 0.00 -1.87 0.00 0.00 60.65 57.92 2g2p h LYS 49 Cb 1.03 0.01 -0.39 0.00 0.08 0.00 0.00 32.23 32.95 2g2p h LYS 49 CO 0.50 0.74 -0.83 0.00 -0.57 0.00 0.00 179.45 179.29 2g2p s ALA 50 N -4.02 1.90 -0.18 3.86 0.00 -1.26 -4.08 121.76 118.00 2g2p s ALA 50 Ca -0.05 -2.62 0.19 0.00 0.00 0.00 0.00 51.96 49.48 2g2p s ALA 50 Cb 0.13 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 2g2p s ALA 50 CO 0.79 -2.04 1.01 1.25 0.00 0.00 0.00 175.76 176.78 2g2p h LEU 51 N 6.10 0.00 -9.78 0.00 5.85 -1.15 -3.46 115.31 112.86 2g2p h LEU 51 Ca 0.15 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.34 2g2p h LEU 51 Cb 0.90 0.00 0.07 0.00 0.37 0.00 0.00 40.66 42.00 2g2p h LEU 51 CO 0.44 0.36 0.79 0.86 -0.34 0.00 0.00 178.44 180.55 2g2p s TRP 52 N -3.08 2.91 1.17 1.25 -0.11 -1.25 -4.82 118.94 115.02 2g2p s TRP 52 Ca -0.01 0.99 -0.15 0.00 1.22 0.00 0.00 56.10 58.15 2g2p s TRP 52 Cb 0.09 -3.90 0.28 0.00 -1.50 0.00 0.00 33.47 28.44 2g2p s TRP 52 CO 0.79 -2.91 1.04 -1.25 -4.62 0.00 0.00 176.95 169.99 2g2p s PRO 53 N -0.61 -0.98 -1.00 5.86 0.04 -1.26 -4.89 135.00 132.16 2g2p s PRO 53 Ca 0.59 0.52 -0.05 0.00 0.04 0.00 0.00 61.00 62.10 2g2p s PRO 53 Cb -0.44 -1.57 0.11 0.00 0.04 0.00 0.00 34.50 32.64 2g2p s PRO 53 CO 0.46 -3.68 2.50 0.39 0.04 0.00 0.00 177.00 176.71 2g2p n GLU 54 N -4.84 3.84 -4.17 4.56 4.71 -1.26 -4.80 120.64 118.68 2g2p n GLU 54 Ca 0.06 -3.12 -0.13 0.00 -0.01 0.00 0.00 57.16 53.97 2g2p n GLU 54 Cb 0.57 -2.45 -0.10 0.00 -1.01 0.00 0.00 31.44 28.44 2g2p n GLU 54 CO 0.00 0.00 0.00 1.14 0.09 0.00 0.00 177.13 178.36 2g2p s GLN 55 N -1.51 0.84 0.28 3.49 -2.07 -1.26 -5.12 119.66 114.31 2g2p s GLN 55 Ca 0.55 -1.23 -0.30 0.00 -1.82 0.00 0.00 55.36 52.56 2g2p s GLN 55 Cb 0.26 -0.38 -0.10 0.00 -1.09 0.00 0.00 33.01 31.70 2g2p s GLN 55 CO -0.15 0.03 1.44 -0.08 -1.32 0.00 0.00 175.29 175.22 2g2p s THR 56 N -2.97 2.54 0.36 3.63 -1.32 -1.26 -4.95 115.64 111.67 2g2p s THR 56 Ca 0.08 0.47 -0.26 0.00 -1.21 0.00 0.00 61.69 60.77 2g2p s THR 56 Cb 0.01 -3.30 -0.09 0.00 -1.51 0.00 0.00 72.50 67.61 2g2p s THR 56 CO -0.02 0.08 1.09 0.00 -2.21 0.00 0.00 174.62 173.56 2g2p s ALA 57 N -0.27 3.20 0.25 11.08 0.00 -1.26 -5.06 121.76 129.70 2g2p s ALA 57 Ca 0.58 0.82 0.12 0.00 0.00 0.00 0.00 51.96 53.47 2g2p s ALA 57 Cb -0.43 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.33 2g2p s ALA 57 CO 0.47 -0.26 -0.20 0.95 0.00 0.00 0.00 175.76 176.73 2g2p s THR 58 N -1.45 2.53 0.71 0.00 -4.23 -1.26 -4.90 115.64 107.04 2g2p s THR 58 Ca 0.53 -2.24 -0.13 0.00 -1.18 0.00 0.00 61.69 58.67 2g2p s THR 58 Cb -0.27 -2.29 0.03 0.00 1.34 0.00 0.00 72.50 71.30 2g2p s THR 58 CO 0.34 -0.30 1.11 0.42 -0.54 0.00 0.00 174.62 175.65 2g2p s THR 59 N -2.21 3.17 -5.00 3.99 -4.23 -1.26 -4.94 115.64 105.16 2g2p s THR 59 Ca 0.27 0.48 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 2g2p s THR 59 Cb -0.06 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.80 2g2p s THR 59 CO 0.14 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 2g2p n GLY 60 N -0.68 -0.61 3.67 3.99 0.00 -0.81 -5.02 105.19 105.73 2g2p n GLY 60 Ca 0.10 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 2g2p n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2g2p s ASP 61 N -2.34 5.05 0.07 1.61 1.01 -1.26 -1.30 116.67 119.52 2g2p s ASP 61 Ca 0.00 -0.02 0.01 0.00 0.71 0.00 0.00 52.55 53.25 2g2p s ASP 61 Cb 0.00 -1.31 -0.04 0.00 1.01 0.00 0.00 42.92 42.58 2g2p s ASP 61 CO 0.00 0.29 -0.05 -0.31 0.21 0.00 0.00 175.17 175.31 2g2p s TYR 62 N -1.05 0.71 -0.07 4.23 2.02 -0.74 -1.03 117.35 121.42 2g2p s TYR 62 Ca 0.19 -0.96 -0.03 0.00 -0.37 0.00 0.00 57.07 55.90 2g2p s TYR 62 Cb -0.11 -0.45 0.04 0.00 -0.40 0.00 0.00 41.96 41.03 2g2p s TYR 62 CO 0.09 -0.25 0.11 0.50 -1.57 0.00 0.00 175.55 174.43 2g2p s ARG 63 N -3.76 -0.02 -0.09 -0.62 3.52 -0.42 -0.94 118.95 116.63 2g2p s ARG 63 Ca 0.09 0.44 -0.11 0.00 -0.13 0.00 0.00 55.73 56.02 2g2p s ARG 63 Cb 0.06 -0.47 -0.05 0.00 -1.56 0.00 0.00 34.95 32.93 2g2p s ARG 63 CO -0.07 -0.34 0.26 0.14 -0.81 0.00 0.00 175.30 174.48 2g2p s VAL 64 N 2.23 5.30 -0.24 7.11 -7.23 -0.31 -0.85 120.40 126.41 2g2p s VAL 64 Ca 0.04 0.49 0.02 0.00 -1.81 0.00 0.00 61.98 60.72 2g2p s VAL 64 Cb -0.12 -3.55 0.06 0.00 0.56 0.00 0.00 36.38 33.32 2g2p s VAL 64 CO -0.05 0.56 -0.08 -0.69 -0.31 0.00 0.00 175.10 174.53 2g2p s VAL 65 N -0.74 1.81 -0.32 1.32 1.01 -0.52 -0.54 120.40 122.42 2g2p s VAL 65 Ca 0.18 -1.38 -0.25 0.00 0.00 0.00 0.00 61.98 60.53 2g2p s VAL 65 Cb -0.14 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.25 2g2p s VAL 65 CO 0.07 -0.05 0.87 -0.36 0.00 0.00 0.00 175.10 175.64 2g2p s PHE 66 N 1.27 3.17 -1.45 5.22 0.08 -0.17 -1.49 117.98 124.60 2g2p s PHE 66 Ca -0.07 0.88 -0.12 0.00 0.12 0.00 0.00 56.93 57.74 2g2p s PHE 66 Cb -0.19 -3.40 0.05 0.00 -0.57 0.00 0.00 43.02 38.90 2g2p s PHE 66 CO -0.06 -0.66 2.30 1.63 -0.10 0.00 0.00 175.22 178.33 2g2p n LYS 67 N 6.45 3.23 0.09 0.44 4.76 0.12 -1.30 118.16 131.95 2g2p n LYS 67 Ca 0.06 -2.74 0.03 0.00 -2.87 0.00 0.00 58.31 52.79 2g2p n LYS 67 Cb 0.48 -3.11 -0.02 0.00 -1.84 0.00 0.00 35.03 30.55 2g2p n LYS 67 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2g2p h THR 68 N 3.71 0.52 -0.91 -0.18 1.35 -1.85 -3.05 112.91 112.51 2g2p h THR 68 Ca 0.60 -1.86 -0.01 0.00 -0.55 0.00 0.00 66.41 64.58 2g2p h THR 68 Cb 0.56 2.09 -0.04 0.00 -1.73 0.00 0.00 68.15 69.02 2g2p h THR 68 CO 1.80 0.30 0.51 1.23 -0.25 0.00 0.00 175.52 179.12 2g2p h GLY 69 N 3.70 1.34 1.12 5.82 0.00 -1.56 -0.77 103.07 112.72 2g2p h GLY 69 Ca -0.07 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 46.59 2g2p h GLY 69 CO 0.04 0.57 0.08 -0.55 0.00 0.00 0.00 176.54 176.68 2g2p h ASP 70 N 1.26 1.03 -0.22 0.19 3.32 -1.71 -0.64 116.42 119.66 2g2p h ASP 70 Ca 0.32 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 57.14 2g2p h ASP 70 Cb -0.00 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 2g2p h ASP 70 CO -0.05 1.03 0.07 0.22 -1.72 0.00 0.00 179.24 178.79 2g2p h TYR 71 N 1.00 0.12 -0.43 4.55 3.20 -1.32 -1.88 116.97 122.21 2g2p h TYR 71 Ca 0.19 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 2g2p h TYR 71 Cb 0.46 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 2g2p h TYR 71 CO 0.03 0.06 -0.24 0.74 -1.64 0.00 0.00 178.16 177.11 2g2p h PHE 72 N 0.17 1.03 -0.75 -3.82 0.04 -1.07 -3.22 116.94 109.32 2g2p h PHE 72 Ca 0.09 -0.25 -0.02 0.00 2.80 0.00 0.00 57.97 60.59 2g2p h PHE 72 Cb 0.07 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 37.94 2g2p h PHE 72 CO -0.12 1.04 0.38 -0.22 -0.60 0.00 0.00 178.31 178.78 2g2p h LYS 73 N 0.77 1.06 -0.50 1.51 3.64 -0.81 -0.11 116.57 122.13 2g2p h LYS 73 Ca 0.10 -0.14 0.11 0.00 -1.27 0.00 0.00 60.65 59.45 2g2p h LYS 73 Cb 0.80 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 2g2p h LYS 73 CO 0.07 0.80 0.34 0.87 -2.27 0.00 0.00 179.45 179.26 2g2p h LYS 74 N 1.06 0.17 -0.65 1.90 1.57 -1.35 -0.89 116.57 118.37 2g2p h LYS 74 Ca 0.26 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2g2p h LYS 74 Cb 0.08 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2g2p h LYS 74 CO -0.04 0.11 0.00 1.04 -0.57 0.00 0.00 179.45 180.00 2g2p n GLN 75 N -4.44 3.55 -3.79 3.15 6.02 -0.17 -4.93 117.38 116.76 2g2p n GLN 75 Ca 0.08 -2.29 -0.29 0.00 -0.01 0.00 0.00 57.00 54.48 2g2p n GLN 75 Cb 0.44 -1.92 -0.01 0.00 1.02 0.00 0.00 30.24 29.77 2g2p n GLN 75 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2g2p n ASN 76 N 0.64 -3.54 -4.42 1.08 2.85 -0.34 -4.98 115.26 106.55 2g2p n ASN 76 Ca 0.20 -0.69 -0.33 0.00 -0.11 0.00 0.00 54.58 53.66 2g2p n ASN 76 Cb 0.85 -2.91 -0.14 0.00 1.24 0.00 0.00 39.78 38.82 2g2p n ASN 76 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2g2p s LEU 77 N -6.87 2.79 0.47 1.20 1.43 -0.50 -5.00 118.68 112.20 2g2p s LEU 77 Ca 0.58 -0.25 -0.19 0.00 -1.03 0.00 0.00 54.13 53.23 2g2p s LEU 77 Cb -0.31 -1.61 -0.09 0.00 0.03 0.00 0.00 46.19 44.20 2g2p s LEU 77 CO 0.71 0.23 0.97 -1.61 0.23 0.00 0.00 176.35 176.88 2g2p s GLU 78 N -0.03 4.07 0.01 1.70 2.02 -1.26 -3.39 118.70 121.82 2g2p s GLU 78 Ca -0.03 1.07 0.01 0.00 0.02 0.00 0.00 54.97 56.04 2g2p s GLU 78 Cb -0.14 -2.15 -0.01 0.00 0.10 0.00 0.00 34.13 31.93 2g2p s GLU 78 CO 0.04 -0.17 -0.04 0.45 0.02 0.00 0.00 175.26 175.55 2g2p s SER 79 N -2.55 0.49 0.43 -0.19 0.15 -1.26 -4.83 113.70 105.94 2g2p s SER 79 Ca 0.61 -0.25 0.10 0.00 0.70 0.00 0.00 55.95 57.10 2g2p s SER 79 Cb -0.10 -0.00 0.95 0.00 -1.71 0.00 0.00 66.02 65.16 2g2p s SER 79 CO 0.21 -0.07 2.06 0.15 1.20 0.00 0.00 173.24 176.79 2g2p h PHE 80 N 5.44 0.42 -3.51 3.44 3.57 -1.76 -3.42 116.94 121.13 2g2p h PHE 80 Ca -0.30 0.01 -0.65 0.00 3.53 0.00 0.00 57.97 60.56 2g2p h PHE 80 Cb 1.20 -0.14 -0.24 0.00 2.79 0.00 0.00 35.95 39.56 2g2p h PHE 80 CO 0.51 0.25 -0.66 -0.06 -2.23 0.00 0.00 178.31 176.12 2g2p s PHE 81 N -5.41 3.04 0.17 0.41 0.08 -1.26 -4.98 117.98 110.02 2g2p s PHE 81 Ca -0.08 -0.55 0.20 0.00 0.12 0.00 0.00 56.93 56.63 2g2p s PHE 81 Cb 0.18 -2.15 0.75 0.00 -0.57 0.00 0.00 43.02 41.23 2g2p s PHE 81 CO 0.73 -0.36 1.76 -1.00 -0.10 0.00 0.00 175.22 176.25 2g2p h PRO 82 N 7.93 0.00 -2.62 0.24 0.13 -1.96 -3.29 132.00 132.43 2g2p h PRO 82 Ca -0.38 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.84 2g2p h PRO 82 Cb 1.17 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 2g2p h PRO 82 CO 0.60 0.33 0.37 -1.83 -0.23 0.00 0.00 178.00 177.23 2g2p s GLU 83 N -3.64 1.28 -0.28 0.86 -1.05 -1.26 -2.43 118.70 112.17 2g2p s GLU 83 Ca 0.00 -0.62 0.01 0.00 -0.15 0.00 0.00 54.97 54.20 2g2p s GLU 83 Cb 0.11 0.49 0.08 0.00 -0.44 0.00 0.00 34.13 34.37 2g2p s GLU 83 CO 0.67 -0.58 0.03 0.42 0.95 0.00 0.00 175.26 176.76 2g2p s ILE 84 N -3.50 1.36 0.23 1.83 1.01 -0.42 -4.92 121.20 116.78 2g2p s ILE 84 Ca 0.08 -1.48 -0.22 0.00 0.00 0.00 0.00 60.65 59.04 2g2p s ILE 84 Cb -0.02 -1.88 -0.08 0.00 0.01 0.00 0.00 42.46 40.49 2g2p s ILE 84 CO -0.02 -0.44 0.77 -2.16 0.00 0.00 0.00 174.94 173.09 2g2p s PRO 85 N 1.41 4.36 -0.10 2.79 0.04 -1.26 -1.00 135.00 141.23 2g2p s PRO 85 Ca 0.04 0.99 -0.00 0.00 0.04 0.00 0.00 61.00 62.07 2g2p s PRO 85 Cb -0.18 -2.93 0.02 0.00 0.04 0.00 0.00 34.50 31.45 2g2p s PRO 85 CO -0.14 0.41 -0.06 0.08 0.04 0.00 0.00 177.00 177.33 2g2p s VAL 86 N -1.47 0.89 -0.15 -0.36 1.01 0.30 -4.99 120.40 115.63 2g2p s VAL 86 Ca 0.43 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.11 2g2p s VAL 86 Cb -0.18 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2g2p s VAL 86 CO 0.22 0.34 0.13 -1.61 0.00 0.00 0.00 175.10 174.19 2g2p s GLU 87 N 1.65 3.75 0.03 2.72 2.02 -1.26 -1.16 118.70 126.45 2g2p s GLU 87 Ca 0.03 -0.17 -0.09 0.00 0.02 0.00 0.00 54.97 54.76 2g2p s GLU 87 Cb -0.13 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.82 2g2p s GLU 87 CO -0.06 0.58 0.18 -0.59 0.02 0.00 0.00 175.26 175.39 2g2p s PHE 88 N -0.45 0.06 0.24 1.61 -0.12 -0.11 -4.99 117.98 114.22 2g2p s PHE 88 Ca 0.12 -0.27 -0.30 0.00 -0.05 0.00 0.00 56.93 56.44 2g2p s PHE 88 Cb -0.12 -0.04 -0.09 0.00 -0.63 0.00 0.00 43.02 42.14 2g2p s PHE 88 CO 0.02 -0.40 0.97 -1.01 -0.05 0.00 0.00 175.22 174.74 2g2p s HIS 89 N -2.39 3.90 -0.37 3.49 3.76 -1.26 -1.80 115.29 120.63 2g2p s HIS 89 Ca -0.07 1.87 -0.01 0.00 -0.15 0.00 0.00 55.06 56.70 2g2p s HIS 89 Cb -0.02 -3.05 0.09 0.00 1.11 0.00 0.00 32.58 30.72 2g2p s HIS 89 CO -0.03 0.24 0.12 0.42 -0.85 0.00 0.00 174.74 174.64 2g2p s ILE 90 N -1.10 2.95 -0.12 0.60 1.01 -0.42 -4.95 121.20 119.17 2g2p s ILE 90 Ca 0.42 -1.98 0.18 0.00 0.00 0.00 0.00 60.65 59.27 2g2p s ILE 90 Cb -0.27 -2.98 -0.21 0.00 0.01 0.00 0.00 42.46 39.01 2g2p s ILE 90 CO 0.34 -0.53 0.54 0.59 0.00 0.00 0.00 174.94 175.87 2g2p n ASN 91 N 4.51 0.47 -3.96 3.58 3.02 -1.26 -1.92 115.26 119.70 2g2p n ASN 91 Ca -0.03 0.21 -0.30 0.00 -0.03 0.00 0.00 54.58 54.43 2g2p n ASN 91 Cb 0.42 0.70 -0.16 0.00 -0.61 0.00 0.00 39.78 40.13 2g2p n ASN 91 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2g2p s LYS 92 N -2.88 1.81 0.37 3.52 -0.14 -1.26 -4.88 119.74 116.28 2g2p s LYS 92 Ca -0.06 -0.76 0.26 0.00 -1.36 0.00 0.00 55.97 54.05 2g2p s LYS 92 Cb 0.09 -2.31 0.72 0.00 -1.68 0.00 0.00 37.83 34.64 2g2p s LYS 92 CO 0.83 -0.45 1.73 -0.39 -0.76 0.00 0.00 175.35 176.32 2g2p h VAL 93 N 6.42 0.00 -0.01 3.17 -1.51 -1.90 -3.26 116.25 119.16 2g2p h VAL 93 Ca -0.26 -0.68 0.00 0.00 -1.23 0.00 0.00 66.70 64.53 2g2p h VAL 93 Cb 1.10 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 2g2p h VAL 93 CO 0.45 0.00 -0.28 0.59 -1.23 0.00 0.00 177.57 177.10 2g2p n ASN 94 N -2.76 0.87 -4.92 4.19 4.13 -1.26 -4.88 115.26 110.64 2g2p n ASN 94 Ca 0.04 -0.73 -0.20 0.00 1.68 0.00 0.00 54.58 55.37 2g2p n ASN 94 Cb 0.43 0.13 -0.02 0.00 -1.54 0.00 0.00 39.78 38.78 2g2p n ASN 94 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 2g2p s GLU 95 N -2.59 2.61 -0.15 3.52 -1.05 -1.23 -5.05 118.70 114.76 2g2p s GLU 95 Ca 0.22 -1.46 -0.15 0.00 -0.15 0.00 0.00 54.97 53.44 2g2p s GLU 95 Cb 0.19 -2.49 -0.04 0.00 -0.44 0.00 0.00 34.13 31.35 2g2p s GLU 95 CO 0.55 -0.22 0.35 -1.58 0.95 0.00 0.00 175.26 175.30 2g2p s HIS 96 N -2.44 3.48 -0.08 4.83 5.65 -1.26 -4.72 115.29 120.74 2g2p s HIS 96 Ca 0.50 0.68 0.04 0.00 0.25 0.00 0.00 55.06 56.54 2g2p s HIS 96 Cb -0.05 -2.40 -0.01 0.00 -1.18 0.00 0.00 32.58 28.93 2g2p s HIS 96 CO 0.29 0.22 -0.21 0.71 -0.65 0.00 0.00 174.74 175.10 2g2p s TYR 97 N 0.51 2.56 -0.04 3.88 2.02 0.79 -5.03 117.35 122.05 2g2p s TYR 97 Ca 0.19 -0.70 -0.01 0.00 -0.37 0.00 0.00 57.07 56.19 2g2p s TYR 97 Cb -0.14 -1.67 0.03 0.00 -0.40 0.00 0.00 41.96 39.78 2g2p s TYR 97 CO 0.06 -0.20 0.02 -1.58 -1.57 0.00 0.00 175.55 172.27 2g2p s HIS 98 N -0.05 0.32 -0.43 2.71 2.46 -1.26 -1.66 115.29 117.38 2g2p s HIS 98 Ca -0.06 0.03 0.02 0.00 0.47 0.00 0.00 55.06 55.52 2g2p s HIS 98 Cb -0.15 -0.51 0.13 0.00 -0.13 0.00 0.00 32.58 31.93 2g2p s HIS 98 CO 0.05 -0.19 0.22 0.08 -2.47 0.00 0.00 174.74 172.43 2g2p s VAL 99 N 1.52 1.41 0.66 0.89 1.01 -0.50 -0.78 120.40 124.62 2g2p s VAL 99 Ca -0.03 -2.48 -0.11 0.00 0.00 0.00 0.00 61.98 59.36 2g2p s VAL 99 Cb -0.13 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 2g2p s VAL 99 CO -0.03 -0.87 1.05 -2.84 0.00 0.00 0.00 175.10 172.41 2g2p s PRO 100 N 0.45 3.27 -0.06 2.72 0.02 -1.25 -3.42 135.00 136.73 2g2p s PRO 100 Ca 0.17 0.75 -0.00 0.00 0.02 0.00 0.00 61.00 61.93 2g2p s PRO 100 Cb -0.24 -2.04 0.03 0.00 0.02 0.00 0.00 34.50 32.26 2g2p s PRO 100 CO -0.02 -0.81 -0.02 -1.17 -0.33 0.00 0.00 177.00 174.66 2g2p s LEU 101 N -5.32 0.91 -0.32 -5.54 2.96 0.46 -3.81 118.68 108.02 2g2p s LEU 101 Ca 0.56 -0.11 -0.15 0.00 -0.22 0.00 0.00 54.13 54.21 2g2p s LEU 101 Cb -0.12 -0.47 -0.02 0.00 0.50 0.00 0.00 46.19 46.09 2g2p s LEU 101 CO 0.54 -0.14 0.34 -0.76 -1.32 0.00 0.00 176.35 175.01 2g2p s LEU 102 N 1.55 4.33 -0.07 -0.68 1.43 -0.27 -0.25 118.68 124.72 2g2p s LEU 102 Ca -0.01 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 2g2p s LEU 102 Cb -0.13 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2g2p s LEU 102 CO -0.03 -0.28 -0.18 -0.22 0.23 0.00 0.00 176.35 175.86 2g2p s LEU 103 N 1.99 1.88 0.24 1.79 2.96 0.19 -1.19 118.68 126.54 2g2p s LEU 103 Ca 0.12 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 2g2p s LEU 103 Cb -0.16 -1.10 -0.05 0.00 0.50 0.00 0.00 46.19 45.38 2g2p s LEU 103 CO 0.11 0.11 0.04 -0.44 -1.32 0.00 0.00 176.35 174.86 2g2p s SER 104 N 0.38 1.54 0.31 3.68 0.01 -0.27 -0.59 113.70 118.76 2g2p s SER 104 Ca -0.13 -1.30 -0.01 0.00 1.31 0.00 0.00 55.95 55.82 2g2p s SER 104 Cb -0.16 0.08 0.49 0.00 0.21 0.00 0.00 66.02 66.64 2g2p s SER 104 CO 0.05 -0.62 1.98 1.56 0.41 0.00 0.00 173.24 176.62 2g2p h GLN 105 N 2.43 1.03 0.00 12.44 4.20 -2.00 -3.24 115.11 129.97 2g2p h GLN 105 Ca -0.38 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.26 2g2p h GLN 105 Cb 1.23 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 2g2p h GLN 105 CO 0.63 0.68 -0.19 0.66 -0.67 0.00 0.00 178.83 179.94 2g2p n TYR 106 N -4.42 0.00 -3.53 2.96 4.01 -1.26 -1.94 117.16 112.98 2g2p n TYR 106 Ca 0.09 -0.86 -0.09 0.00 -0.16 0.00 0.00 57.90 56.87 2g2p n TYR 106 Cb 0.03 -0.14 -0.03 0.00 -0.31 0.00 0.00 39.34 38.88 2g2p n TYR 106 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2g2p s GLY 107 N -2.55 -0.39 0.26 2.72 0.00 -1.22 -4.96 107.32 101.17 2g2p s GLY 107 Ca 0.27 1.41 -0.20 0.00 0.00 0.00 0.00 44.72 46.20 2g2p s GLY 107 CO 0.00 0.61 0.66 -2.52 0.00 0.00 0.00 173.10 171.85 2g2p s TYR 108 N -2.32 -0.13 0.02 1.90 -0.85 -1.26 -1.11 117.35 113.60 2g2p s TYR 108 Ca 0.02 -0.29 0.00 0.00 -0.52 0.00 0.00 57.07 56.29 2g2p s TYR 108 Cb -0.01 0.60 -0.02 0.00 0.38 0.00 0.00 41.96 42.91 2g2p s TYR 108 CO -0.04 -1.15 -0.03 -1.12 -1.52 0.00 0.00 175.55 171.68 2g2p s SER 109 N -2.92 0.30 0.11 -0.18 0.01 -0.34 -4.99 113.70 105.69 2g2p s SER 109 Ca 0.12 -0.40 -0.08 0.00 1.31 0.00 0.00 55.95 56.90 2g2p s SER 109 Cb -0.04 0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.24 2g2p s SER 109 CO 0.05 -0.22 0.20 0.28 0.41 0.00 0.00 173.24 173.96 2g2p s THR 110 N -1.12 0.13 0.15 1.44 -1.32 -1.26 -1.12 115.64 112.54 2g2p s THR 110 Ca -0.11 -1.29 -0.24 0.00 -1.21 0.00 0.00 61.69 58.83 2g2p s THR 110 Cb -0.08 -1.50 0.07 0.00 -1.51 0.00 0.00 72.50 69.49 2g2p s THR 110 CO -0.01 -0.57 1.01 -0.72 -2.21 0.00 0.00 174.62 172.12 2g2p s TYR 111 N -3.90 -0.06 -0.37 9.09 -0.85 -1.25 -5.06 117.35 114.96 2g2p s TYR 111 Ca 0.09 -0.26 -0.23 0.00 -0.52 0.00 0.00 57.07 56.15 2g2p s TYR 111 Cb 0.05 0.65 0.01 0.00 0.38 0.00 0.00 41.96 43.05 2g2p s TYR 111 CO -0.08 -0.82 0.76 0.50 -1.52 0.00 0.00 175.55 174.39 2g2p s ARG 112 N -2.90 3.71 0.88 -3.49 3.52 -1.26 -3.75 118.95 115.66 2g2p s ARG 112 Ca 0.15 0.24 -0.10 0.00 -0.13 0.00 0.00 55.73 55.89 2g2p s ARG 112 Cb -0.01 -3.82 0.19 0.00 -1.56 0.00 0.00 34.95 29.74 2g2p s ARG 112 CO 0.03 -0.85 1.20 0.20 -0.81 0.00 0.00 175.30 175.07 2g2p s GLY 113 N 1.86 1.79 0.00 8.12 0.00 0.04 -5.01 107.32 114.12 2g2p s GLY 113 Ca 0.30 -1.54 0.30 0.00 0.00 0.00 0.00 44.72 43.79 2g2p s GLY 113 CO 0.17 -0.81 2.00 -1.14 0.00 0.00 0.00 173.10 173.32