#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pxy s ALA 0 N 0.00 2.91 0.34 -0.43 0.00 -1.26 -4.92 121.76 118.39 2pxy s ALA 0 Ca 0.00 0.35 -0.27 0.00 0.00 0.00 0.00 51.96 52.03 2pxy s ALA 0 Cb 0.00 -3.19 -0.13 0.00 0.00 0.00 0.00 23.12 19.81 2pxy s ALA 0 CO 0.00 -0.45 1.12 -0.25 0.00 0.00 0.00 175.76 176.18 2pxy n ASP 1 N -1.59 1.86 -3.90 0.00 8.00 -1.26 -4.96 116.55 114.69 2pxy n ASP 1 Ca 0.08 1.16 -0.09 0.00 0.71 0.00 0.00 54.79 56.65 2pxy n ASP 1 Cb 0.53 -1.38 -0.07 0.00 -0.02 0.00 0.00 41.12 40.18 2pxy n ASP 1 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2pxy s SER 2 N -0.50 0.08 -0.05 -2.24 1.04 -0.39 -5.02 113.70 106.62 2pxy s SER 2 Ca 0.58 -0.75 0.04 0.00 0.48 0.00 0.00 55.95 56.30 2pxy s SER 2 Cb -0.62 0.39 -0.00 0.00 0.10 0.00 0.00 66.02 65.89 2pxy s SER 2 CO 0.60 -0.81 -0.17 -0.69 0.98 0.00 0.00 173.24 173.16 2pxy s VAL 3 N -3.91 1.43 -0.18 5.02 1.01 -1.26 -1.34 120.40 121.16 2pxy s VAL 3 Ca 0.11 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2pxy s VAL 3 Cb 0.04 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 35.20 2pxy s VAL 3 CO -0.06 0.41 -0.19 -0.89 0.00 0.00 0.00 175.10 174.38 2pxy s THR 4 N 0.17 2.17 0.12 3.92 2.01 0.51 -4.42 115.64 120.13 2pxy s THR 4 Ca -0.07 -0.91 0.06 0.00 0.31 0.00 0.00 61.69 61.09 2pxy s THR 4 Cb -0.13 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 2pxy s THR 4 CO 0.03 0.53 -0.15 0.00 -0.69 0.00 0.00 174.62 174.34 2pxy s GLN 5 N 1.27 1.04 0.05 4.92 -2.07 -1.26 -0.53 119.66 123.07 2pxy s GLN 5 Ca 0.04 -1.24 -0.21 0.00 -1.82 0.00 0.00 55.36 52.14 2pxy s GLN 5 Cb -0.13 -0.95 -0.11 0.00 -1.09 0.00 0.00 33.01 30.72 2pxy s GLN 5 CO -0.11 0.19 0.50 0.25 -1.32 0.00 0.00 175.29 174.79 2pxy n THR 6 N 0.57 0.53 0.00 3.63 -2.24 -1.09 -4.86 114.28 110.82 2pxy n THR 6 Ca -0.16 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2pxy n THR 6 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 2pxy n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pxy n GLY 7 N 1.04 0.00 0.90 3.38 0.00 -1.26 -4.65 105.19 104.60 2pxy n GLY 7 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2pxy n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pxy n GLY 8 N 0.00 0.11 3.20 -0.02 0.00 -1.26 -4.79 105.19 102.43 2pxy n GLY 8 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2pxy n GLY 8 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pxy s GLN 9 N -0.92 1.79 -0.02 1.61 0.74 -1.26 -0.37 119.66 121.23 2pxy s GLN 9 Ca 0.00 -0.71 0.05 0.00 0.05 0.00 0.00 55.36 54.74 2pxy s GLN 9 Cb 0.00 -1.65 -0.01 0.00 1.10 0.00 0.00 33.01 32.46 2pxy s GLN 9 CO 0.00 0.38 -0.16 0.08 -0.55 0.00 0.00 175.29 175.03 2pxy s VAL 10 N -0.30 1.32 -0.12 1.34 1.01 -0.41 -4.99 120.40 118.25 2pxy s VAL 10 Ca 0.03 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.35 2pxy s VAL 10 Cb -0.10 -1.11 -0.00 0.00 0.00 0.00 0.00 36.38 35.17 2pxy s VAL 10 CO 0.01 0.38 -0.20 0.00 0.00 0.00 0.00 175.10 175.29 2pxy s ALA 11 N -0.20 2.35 0.25 5.51 0.00 -1.26 -0.85 121.76 127.56 2pxy s ALA 11 Ca 0.02 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.05 2pxy s ALA 11 Cb -0.08 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 21.97 2pxy s ALA 11 CO 0.00 0.16 -0.05 -0.51 0.00 0.00 0.00 175.76 175.36 2pxy s LEU 12 N 0.52 2.41 0.23 0.00 1.43 -0.06 -4.98 118.68 118.23 2pxy s LEU 12 Ca -0.12 -1.17 0.04 0.00 -1.03 0.00 0.00 54.13 51.84 2pxy s LEU 12 Cb -0.17 -0.52 -0.03 0.00 0.03 0.00 0.00 46.19 45.50 2pxy s LEU 12 CO 0.05 -0.38 0.37 -0.44 0.23 0.00 0.00 176.35 176.18 2pxy s SER 13 N -3.38 6.32 0.47 2.29 0.01 -1.26 0.80 113.70 118.95 2pxy s SER 13 Ca 0.28 0.14 -0.24 0.00 1.31 0.00 0.00 55.95 57.44 2pxy s SER 13 Cb 0.04 -1.89 -0.07 0.00 0.21 0.00 0.00 66.02 64.30 2pxy s SER 13 CO 0.10 -0.07 1.36 -1.61 0.41 0.00 0.00 173.24 173.43 2pxy s GLU 14 N -3.84 3.59 0.00 12.44 2.02 -1.24 -2.25 118.70 129.42 2pxy s GLU 14 Ca 0.35 2.25 0.00 0.00 0.02 0.00 0.00 54.97 57.59 2pxy s GLU 14 Cb -0.10 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.60 2pxy s GLU 14 CO 0.30 -0.83 0.00 0.39 0.02 0.00 0.00 175.26 175.13 2pxy n GLU 15 N -0.40 -0.03 -1.51 1.61 1.02 0.60 -4.95 120.64 116.98 2pxy n GLU 15 Ca 0.07 0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.91 2pxy n GLU 15 Cb 0.44 -2.83 0.07 0.00 -0.02 0.00 0.00 31.44 29.09 2pxy n GLU 15 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pxy s ASP 16 N -2.77 5.02 0.15 1.62 -0.00 -0.96 -4.69 116.67 115.04 2pxy s ASP 16 Ca 0.00 1.58 -0.19 0.00 -0.00 0.00 0.00 52.55 53.94 2pxy s ASP 16 Cb 0.00 -2.40 -0.07 0.00 -0.00 0.00 0.00 42.92 40.45 2pxy s ASP 16 CO 0.00 -1.67 0.64 0.12 -0.00 0.00 0.00 175.17 174.26 2pxy s PHE 17 N -3.04 3.73 -0.11 4.23 2.19 -1.22 -1.70 117.98 122.07 2pxy s PHE 17 Ca 0.59 1.32 -0.01 0.00 0.33 0.00 0.00 56.93 59.16 2pxy s PHE 17 Cb -0.15 -2.55 -0.03 0.00 -1.31 0.00 0.00 43.02 38.99 2pxy s PHE 17 CO 0.55 0.47 -0.05 -1.17 1.83 0.00 0.00 175.22 176.85 2pxy s LEU 18 N -1.55 3.20 -0.03 6.12 2.96 0.20 -4.94 118.68 124.63 2pxy s LEU 18 Ca 0.36 -0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 54.19 2pxy s LEU 18 Cb -0.18 -1.73 0.03 0.00 0.50 0.00 0.00 46.19 44.81 2pxy s LEU 18 CO 0.21 0.27 0.05 -0.89 -1.32 0.00 0.00 176.35 174.67 2pxy s THR 19 N -0.25 -0.08 -0.14 3.68 2.01 -1.26 -1.67 115.64 117.93 2pxy s THR 19 Ca 0.04 0.27 -0.00 0.00 0.31 0.00 0.00 61.69 62.31 2pxy s THR 19 Cb -0.13 -0.12 0.03 0.00 0.01 0.00 0.00 72.50 72.29 2pxy s THR 19 CO 0.02 0.11 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.34 2pxy s ILE 20 N 1.41 1.27 0.43 1.82 1.01 -0.87 -4.98 121.20 121.29 2pxy s ILE 20 Ca -0.05 -0.53 -0.22 0.00 0.00 0.00 0.00 60.65 59.85 2pxy s ILE 20 Cb -0.13 -1.29 -0.10 0.00 0.01 0.00 0.00 42.46 40.96 2pxy s ILE 20 CO -0.03 0.33 1.00 -1.00 0.00 0.00 0.00 174.94 175.24 2pxy s HIS 21 N 1.60 3.22 -0.21 3.97 3.76 -1.26 -0.66 115.29 125.70 2pxy s HIS 21 Ca 0.04 1.62 -0.08 0.00 -0.15 0.00 0.00 55.06 56.49 2pxy s HIS 21 Cb -0.13 -3.00 0.09 0.00 1.11 0.00 0.00 32.58 30.65 2pxy s HIS 21 CO -0.09 -0.46 0.46 0.00 -0.85 0.00 0.00 174.74 173.80 2pxy s ASN 23 N 2.50 2.83 0.19 0.00 -0.87 0.30 -1.02 114.94 118.88 2pxy s ASN 23 Ca -0.03 -0.63 0.10 0.00 -1.57 0.00 0.00 52.86 50.72 2pxy s ASN 23 Cb -0.11 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.25 40.86 2pxy s ASN 23 CO -0.14 0.16 -0.20 -0.72 -2.57 0.00 0.00 177.10 173.63 2pxy s TYR 24 N -0.95 2.04 -0.29 2.20 1.13 0.02 -0.36 117.35 121.13 2pxy s TYR 24 Ca 0.10 -0.42 0.01 0.00 -1.41 0.00 0.00 57.07 55.35 2pxy s TYR 24 Cb -0.10 -0.99 0.09 0.00 -1.10 0.00 0.00 41.96 39.86 2pxy s TYR 24 CO 0.03 0.45 0.04 0.45 -2.51 0.00 0.00 175.55 174.01 2pxy s SER 25 N -2.83 4.17 0.04 -0.18 0.15 -0.45 -4.86 113.70 109.74 2pxy s SER 25 Ca 0.20 -1.64 0.04 0.00 0.70 0.00 0.00 55.95 55.25 2pxy s SER 25 Cb -0.06 -1.18 -0.02 0.00 -1.71 0.00 0.00 66.02 63.05 2pxy s SER 25 CO 0.09 -0.35 -0.13 0.00 1.20 0.00 0.00 173.24 174.05 2pxy s ALA 26 N 1.35 1.04 -0.62 5.45 0.00 -1.26 -1.26 121.76 126.46 2pxy s ALA 26 Ca 0.06 -0.81 0.24 0.00 0.00 0.00 0.00 51.96 51.44 2pxy s ALA 26 Cb -0.18 -0.13 0.35 0.00 0.00 0.00 0.00 23.12 23.15 2pxy s ALA 26 CO -0.14 0.17 1.33 0.77 0.00 0.00 0.00 175.76 177.89 2pxy h SER 27 N 4.81 0.00 0.00 0.00 0.02 -1.96 -3.47 113.55 112.96 2pxy h SER 27 Ca -0.38 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 2pxy h SER 27 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2pxy h SER 27 CO 0.43 0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.82 2pxy n GLY 28 N 1.32 2.47 2.54 -3.77 0.00 -1.26 -5.07 105.19 101.42 2pxy n GLY 28 Ca 0.03 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 2pxy n GLY 28 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pxy s TYR 29 N 4.13 1.67 0.69 1.61 6.04 -1.26 -5.02 117.35 125.20 2pxy s TYR 29 Ca 0.00 -2.48 -0.12 0.00 0.04 0.00 0.00 57.07 54.51 2pxy s TYR 29 Cb 0.00 -1.40 0.00 0.00 -1.04 0.00 0.00 41.96 39.53 2pxy s TYR 29 CO 0.00 -0.76 1.06 -1.25 -1.54 0.00 0.00 175.55 173.06 2pxy s PRO 30 N -0.13 2.94 0.13 4.97 0.04 -1.26 -3.41 135.00 138.28 2pxy s PRO 30 Ca 0.28 1.01 -0.08 0.00 0.04 0.00 0.00 61.00 62.25 2pxy s PRO 30 Cb -0.03 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 2pxy s PRO 30 CO -0.15 -1.10 0.43 0.00 0.04 0.00 0.00 177.00 176.22 2pxy s ALA 31 N -2.94 3.71 0.12 8.56 0.00 0.12 -4.78 121.76 126.56 2pxy s ALA 31 Ca 0.59 -0.41 0.08 0.00 0.00 0.00 0.00 51.96 52.23 2pxy s ALA 31 Cb -0.15 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.67 2pxy s ALA 31 CO 0.52 0.59 -0.16 -0.51 0.00 0.00 0.00 175.76 176.20 2pxy s LEU 32 N -2.35 2.80 0.15 0.00 1.43 0.33 -1.72 118.68 119.31 2pxy s LEU 32 Ca 0.39 -0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 52.92 2pxy s LEU 32 Cb -0.13 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 2pxy s LEU 32 CO 0.21 0.17 0.18 -0.36 0.23 0.00 0.00 176.35 176.79 2pxy s PHE 33 N -1.19 0.59 -0.02 0.29 0.40 0.50 -1.42 117.98 117.14 2pxy s PHE 33 Ca 0.19 -0.96 0.02 0.00 -0.60 0.00 0.00 56.93 55.57 2pxy s PHE 33 Cb -0.11 -0.24 0.01 0.00 0.51 0.00 0.00 43.02 43.19 2pxy s PHE 33 CO 0.11 -0.63 -0.06 -1.58 0.70 0.00 0.00 175.22 173.76 2pxy s TRP 34 N -4.00 0.68 0.14 0.36 0.52 -1.08 -1.37 118.94 114.19 2pxy s TRP 34 Ca 0.20 -0.15 0.07 0.00 0.02 0.00 0.00 56.10 56.24 2pxy s TRP 34 Cb 0.05 -0.51 -0.04 0.00 -1.15 0.00 0.00 33.47 31.82 2pxy s TRP 34 CO 0.01 -0.08 -0.17 0.71 0.02 0.00 0.00 176.95 177.44 2pxy s TYR 35 N 0.26 1.63 -0.05 -1.98 1.51 0.30 -1.04 117.35 117.98 2pxy s TYR 35 Ca -0.03 -0.49 0.04 0.00 -1.01 0.00 0.00 57.07 55.58 2pxy s TYR 35 Cb -0.08 -0.84 -0.00 0.00 -0.11 0.00 0.00 41.96 40.93 2pxy s TYR 35 CO -0.00 0.23 -0.19 0.08 -1.11 0.00 0.00 175.55 174.56 2pxy s VAL 36 N -1.91 1.57 -0.29 0.71 1.01 -0.50 -0.68 120.40 120.31 2pxy s VAL 36 Ca 0.11 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.34 2pxy s VAL 36 Cb -0.06 -1.35 0.08 0.00 0.00 0.00 0.00 36.38 35.04 2pxy s VAL 36 CO 0.05 0.45 -0.04 -1.58 0.00 0.00 0.00 175.10 173.97 2pxy s GLN 37 N 0.09 1.96 0.50 2.72 0.74 0.82 -0.84 119.66 125.66 2pxy s GLN 37 Ca -0.06 -1.55 -0.12 0.00 0.05 0.00 0.00 55.36 53.68 2pxy s GLN 37 Cb -0.13 -3.03 -0.06 0.00 1.10 0.00 0.00 33.01 30.90 2pxy s GLN 37 CO 0.03 -0.72 0.91 0.71 -0.55 0.00 0.00 175.29 175.68 2pxy s TYR 38 N 1.03 3.51 -0.00 1.67 2.02 -1.26 -1.58 117.35 122.74 2pxy s TYR 38 Ca -0.01 1.22 -0.38 0.00 -0.37 0.00 0.00 57.07 57.53 2pxy s TYR 38 Cb -0.20 -2.61 -0.17 0.00 -0.40 0.00 0.00 41.96 38.58 2pxy s TYR 38 CO -0.06 -0.36 1.39 -2.30 -1.57 0.00 0.00 175.55 172.65 2pxy n PRO 39 N -1.87 1.00 -1.07 -1.71 -0.02 -1.26 -1.73 135.00 128.34 2pxy n PRO 39 Ca 0.04 0.36 -0.02 0.00 -2.02 0.00 0.00 63.50 61.86 2pxy n PRO 39 Cb 0.54 -1.99 -0.01 0.00 -0.02 0.00 0.00 33.50 32.02 2pxy n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pxy n GLY 40 N 2.74 0.53 3.43 -1.23 0.00 -1.26 -5.01 105.19 104.39 2pxy n GLY 40 Ca 0.20 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 2pxy n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pxy s GLU 41 N -1.32 1.64 0.44 1.61 2.02 -0.70 -5.16 118.70 117.23 2pxy s GLU 41 Ca 0.00 -1.92 0.00 0.00 0.02 0.00 0.00 54.97 53.07 2pxy s GLU 41 Cb 0.00 -0.68 -0.01 0.00 0.10 0.00 0.00 34.13 33.54 2pxy s GLU 41 CO 0.00 -0.26 0.66 0.20 0.02 0.00 0.00 175.26 175.87 2pxy s GLY 42 N -3.47 1.53 0.53 -1.39 0.00 -1.26 -4.65 107.32 98.61 2pxy s GLY 42 Ca 0.35 -1.01 -0.22 0.00 0.00 0.00 0.00 44.72 43.83 2pxy s GLY 42 CO 0.15 -0.86 1.27 -1.05 0.00 0.00 0.00 173.10 172.61 2pxy n PRO 43 N -2.04 1.59 -4.54 2.90 -0.02 -1.26 -4.61 135.00 127.02 2pxy n PRO 43 Ca 0.00 0.58 -0.22 0.00 -2.02 0.00 0.00 63.50 61.85 2pxy n PRO 43 Cb 0.57 -2.46 -0.15 0.00 -0.02 0.00 0.00 33.50 31.44 2pxy n PRO 43 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2pxy s GLN 44 N -2.72 1.10 0.25 -0.52 -2.07 -0.02 -4.92 119.66 110.76 2pxy s GLN 44 Ca 0.70 -0.42 -0.30 0.00 -1.82 0.00 0.00 55.36 53.52 2pxy s GLN 44 Cb -0.44 -1.03 -0.14 0.00 -1.09 0.00 0.00 33.01 30.31 2pxy s GLN 44 CO 0.51 0.21 1.18 0.34 -1.32 0.00 0.00 175.29 176.21 2pxy n PHE 45 N 3.00 1.60 -0.02 9.60 7.35 -1.26 -1.41 117.46 136.33 2pxy n PHE 45 Ca -0.16 0.61 -0.03 0.00 -0.76 0.00 0.00 57.45 57.11 2pxy n PHE 45 Cb 0.55 -2.33 -0.01 0.00 0.35 0.00 0.00 39.48 38.04 2pxy n PHE 45 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2pxy n LEU 46 N 1.66 0.99 -3.78 -2.13 7.94 -0.20 -4.83 117.00 116.65 2pxy n LEU 46 Ca 0.11 0.16 -0.03 0.00 -1.11 0.00 0.00 56.01 55.14 2pxy n LEU 46 Cb 0.30 -0.46 -0.00 0.00 0.53 0.00 0.00 43.42 43.79 2pxy n LEU 46 CO 0.61 -0.49 0.79 0.72 -1.11 0.00 0.00 177.39 177.91 2pxy s PHE 47 N -1.95 -0.06 0.29 1.96 -0.12 -1.20 -4.62 117.98 112.28 2pxy s PHE 47 Ca -0.10 -0.25 0.02 0.00 -0.05 0.00 0.00 56.93 56.55 2pxy s PHE 47 Cb 0.01 0.65 -0.05 0.00 -0.63 0.00 0.00 43.02 43.01 2pxy s PHE 47 CO 0.15 -0.79 0.11 -0.98 -0.05 0.00 0.00 175.22 173.66 2pxy s ARG 48 N -2.85 1.54 -0.23 1.99 1.70 -1.26 -2.62 118.95 117.21 2pxy s ARG 48 Ca 0.15 -1.86 -0.10 0.00 -0.47 0.00 0.00 55.73 53.46 2pxy s ARG 48 Cb -0.01 -0.31 0.09 0.00 -0.57 0.00 0.00 34.95 34.15 2pxy s ARG 48 CO 0.03 -0.34 0.51 0.00 -1.08 0.00 0.00 175.30 174.41 2pxy s ALA 49 N -3.61 -1.44 -0.06 7.88 0.00 -0.50 -4.02 121.76 120.01 2pxy s ALA 49 Ca 0.36 1.85 0.13 0.00 0.00 0.00 0.00 51.96 54.30 2pxy s ALA 49 Cb 0.07 -1.33 -0.23 0.00 0.00 0.00 0.00 23.12 21.62 2pxy s ALA 49 CO 0.15 -0.60 0.60 0.43 0.00 0.00 0.00 175.76 176.35 2pxy n SER 50 N 4.92 0.80 -4.16 0.00 7.64 -1.26 -0.51 113.62 121.05 2pxy n SER 50 Ca -0.15 0.37 -0.10 0.00 1.01 0.00 0.00 58.87 60.00 2pxy n SER 50 Cb 0.53 0.03 -0.10 0.00 -1.01 0.00 0.00 64.21 63.66 2pxy n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pxy s ARG 51 N -2.59 0.96 0.24 1.43 1.70 -1.26 -4.52 118.95 114.91 2pxy s ARG 51 Ca -0.05 -1.46 -0.30 0.00 -0.47 0.00 0.00 55.73 53.45 2pxy s ARG 51 Cb 0.08 0.18 -0.15 0.00 -0.57 0.00 0.00 34.95 34.49 2pxy s ARG 51 CO 0.83 -0.25 1.04 -3.47 -1.08 0.00 0.00 175.30 172.37 2pxy n ASP 52 N -0.12 1.19 0.00 -2.89 2.03 -1.26 -2.02 116.55 113.48 2pxy n ASP 52 Ca -0.05 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.42 2pxy n ASP 52 Cb 0.64 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.79 2pxy n ASP 52 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2pxy n LYS 53 N 1.13 0.00 -2.72 -0.67 5.02 0.16 -4.97 118.16 116.12 2pxy n LYS 53 Ca 0.12 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.00 2pxy n LYS 53 Cb 0.29 -2.31 -0.05 0.00 -0.02 0.00 0.00 35.03 32.93 2pxy n LYS 53 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2pxy s GLU 54 N -0.07 4.77 -0.14 1.97 2.12 -0.85 -4.73 118.70 121.76 2pxy s GLU 54 Ca 0.00 1.49 -0.02 0.00 0.36 0.00 0.00 54.97 56.80 2pxy s GLU 54 Cb 0.00 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 2pxy s GLU 54 CO 0.00 0.35 -0.09 0.21 -0.54 0.00 0.00 175.26 175.19 2pxy s LYS 55 N -0.60 3.50 0.08 4.30 2.20 -1.26 -1.07 119.74 126.89 2pxy s LYS 55 Ca 0.44 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 55.46 2pxy s LYS 55 Cb -0.25 -2.75 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 2pxy s LYS 55 CO 0.31 0.22 0.13 0.20 -0.36 0.00 0.00 175.35 175.85 2pxy s GLY 56 N 0.38 2.05 0.14 5.54 0.00 -0.49 -4.96 107.32 109.97 2pxy s GLY 56 Ca -0.08 -0.97 -0.19 0.00 0.00 0.00 0.00 44.72 43.48 2pxy s GLY 56 CO 0.04 -0.95 0.50 -1.35 0.00 0.00 0.00 173.10 171.34 2pxy s SER 57 N -2.50 -0.40 -0.30 1.64 1.04 -1.26 -1.90 113.70 110.03 2pxy s SER 57 Ca 0.31 -0.16 -0.17 0.00 0.48 0.00 0.00 55.95 56.42 2pxy s SER 57 Cb -0.12 0.53 0.22 0.00 0.10 0.00 0.00 66.02 66.74 2pxy s SER 57 CO 0.24 -0.90 1.31 -0.55 0.98 0.00 0.00 173.24 174.32 2pxy s SER 58 N -2.75 -0.00 -1.50 7.02 0.15 -0.17 -4.79 113.70 111.65 2pxy s SER 58 Ca 0.02 0.00 -0.13 0.00 0.70 0.00 0.00 55.95 56.54 2pxy s SER 58 Cb 0.00 1.00 0.09 0.00 -1.71 0.00 0.00 66.02 65.41 2pxy s SER 58 CO -0.12 -0.00 0.81 0.54 1.20 0.00 0.00 173.24 175.66 2pxy n ARG 59 N 3.35 -4.56 0.00 5.44 1.74 -1.26 -1.18 116.66 120.19 2pxy n ARG 59 Ca -0.14 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 2pxy n ARG 59 Cb 0.56 -5.37 0.00 0.00 -1.02 0.00 0.00 32.46 26.63 2pxy n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pxy n GLY 61 N -1.50 3.23 3.84 -0.13 0.00 -1.26 -5.04 105.19 104.33 2pxy n GLY 61 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2pxy n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pxy s PHE 62 N -2.27 3.48 0.08 1.61 0.40 -0.33 -4.32 117.98 116.64 2pxy s PHE 62 Ca 0.00 1.26 -0.24 0.00 -0.60 0.00 0.00 56.93 57.35 2pxy s PHE 62 Cb 0.00 -2.55 0.06 0.00 0.51 0.00 0.00 43.02 41.04 2pxy s PHE 62 CO 0.00 0.20 0.57 -1.83 0.70 0.00 0.00 175.22 174.86 2pxy s GLU 63 N -2.59 1.14 -0.18 0.44 -1.05 -0.32 -0.99 118.70 115.14 2pxy s GLU 63 Ca 0.49 -0.26 -0.19 0.00 -0.15 0.00 0.00 54.97 54.86 2pxy s GLU 63 Cb -0.13 0.52 0.05 0.00 -0.44 0.00 0.00 34.13 34.14 2pxy s GLU 63 CO 0.19 -0.44 0.52 0.00 0.95 0.00 0.00 175.26 176.48 2pxy s ALA 64 N -2.81 -1.29 -0.13 -0.84 0.00 -0.80 0.15 121.76 116.04 2pxy s ALA 64 Ca -0.03 1.39 -0.01 0.00 0.00 0.00 0.00 51.96 53.31 2pxy s ALA 64 Cb -0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 2pxy s ALA 64 CO -0.05 -0.26 -0.09 0.99 0.00 0.00 0.00 175.76 176.35 2pxy s THR 65 N 0.08 3.41 -0.19 0.00 2.01 -1.26 -1.40 115.64 118.29 2pxy s THR 65 Ca -0.02 -0.54 -0.29 0.00 0.31 0.00 0.00 61.69 61.15 2pxy s THR 65 Cb -0.04 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 2pxy s THR 65 CO 0.02 0.53 1.77 -0.47 -0.69 0.00 0.00 174.62 175.77 2pxy s TYR 66 N 0.15 1.83 -0.43 4.92 6.14 -0.23 -4.36 117.35 125.37 2pxy s TYR 66 Ca -0.05 0.41 0.04 0.00 0.64 0.00 0.00 57.07 58.11 2pxy s TYR 66 Cb -0.14 -4.02 0.12 0.00 0.42 0.00 0.00 41.96 38.33 2pxy s TYR 66 CO 0.04 -3.48 0.17 1.21 0.64 0.00 0.00 175.55 174.13 2pxy s ASN 67 N 5.00 4.41 0.38 4.32 3.84 -0.59 0.39 114.94 132.69 2pxy s ASN 67 Ca 0.79 -2.58 0.12 0.00 0.21 0.00 0.00 52.86 51.40 2pxy s ASN 67 Cb -0.28 -1.54 0.76 0.00 -0.55 0.00 0.00 41.25 39.64 2pxy s ASN 67 CO 0.32 -0.30 1.86 0.50 -2.79 0.00 0.00 177.10 176.69 2pxy h LYS 68 N 7.03 0.05 -0.70 0.43 3.64 -1.92 0.22 116.57 125.31 2pxy h LYS 68 Ca -0.06 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 2pxy h LYS 68 Cb 0.95 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 2pxy h LYS 68 CO 0.59 0.36 0.27 1.49 -2.27 0.00 0.00 179.45 179.89 2pxy h GLU 69 N 0.05 1.06 -0.35 1.90 4.81 -1.96 -2.80 114.58 117.28 2pxy h GLU 69 Ca 0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2pxy h GLU 69 Cb 0.57 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2pxy h GLU 69 CO 0.04 0.89 0.00 0.00 -0.73 0.00 0.00 179.01 179.21 2pxy n ALA 70 N -2.41 2.37 -4.07 2.92 0.00 -1.12 -4.97 120.51 113.24 2pxy n ALA 70 Ca 0.05 -0.99 -0.33 0.00 0.00 0.00 0.00 53.44 52.17 2pxy n ALA 70 Cb 0.19 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 2pxy n ALA 70 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2pxy n THR 71 N 1.17 -2.69 -4.35 0.00 -2.24 0.61 -4.82 114.28 101.97 2pxy n THR 71 Ca 0.16 -0.59 -0.19 0.00 -2.27 0.00 0.00 64.05 61.16 2pxy n THR 71 Cb 0.52 -2.26 -0.10 0.00 -2.10 0.00 0.00 70.33 66.39 2pxy n THR 71 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2pxy s SER 72 N -4.06 2.63 -0.42 3.42 1.04 -0.28 -0.80 113.70 115.23 2pxy s SER 72 Ca 0.18 -0.98 0.09 0.00 0.48 0.00 0.00 55.95 55.72 2pxy s SER 72 Cb -0.09 -0.15 0.34 0.00 0.10 0.00 0.00 66.02 66.22 2pxy s SER 72 CO 0.94 -0.13 0.96 0.33 0.98 0.00 0.00 173.24 176.32 2pxy n PHE 73 N -0.24 -1.53 -2.17 5.02 7.35 -0.19 -1.54 117.46 124.17 2pxy n PHE 73 Ca -0.09 -2.84 -0.42 0.00 -0.76 0.00 0.00 57.45 53.33 2pxy n PHE 73 Cb 0.60 0.75 -0.03 0.00 0.35 0.00 0.00 39.48 41.15 2pxy n PHE 73 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 2pxy s HIS 74 N -0.91 2.74 0.29 -5.13 3.76 -1.26 -4.41 115.29 110.37 2pxy s HIS 74 Ca 0.30 0.71 -0.29 0.00 -0.15 0.00 0.00 55.06 55.62 2pxy s HIS 74 Cb 0.32 -3.72 -0.10 0.00 1.11 0.00 0.00 32.58 30.19 2pxy s HIS 74 CO -0.06 -2.74 1.21 -1.17 -0.85 0.00 0.00 174.74 171.12 2pxy s LEU 75 N 2.52 4.48 0.01 0.89 2.96 0.17 -4.29 118.68 125.42 2pxy s LEU 75 Ca 0.66 2.45 0.04 0.00 -0.22 0.00 0.00 54.13 57.05 2pxy s LEU 75 Cb -0.33 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 42.72 2pxy s LEU 75 CO 0.27 -0.35 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.74 2pxy s GLN 76 N -1.38 0.90 -0.24 1.98 -1.52 0.12 -2.06 119.66 117.47 2pxy s GLN 76 Ca 0.48 -0.53 -0.08 0.00 -1.95 0.00 0.00 55.36 53.28 2pxy s GLN 76 Cb -0.35 -0.88 0.11 0.00 -0.22 0.00 0.00 33.01 31.66 2pxy s GLN 76 CO 0.45 0.23 0.51 0.21 -0.25 0.00 0.00 175.29 176.44 2pxy s LYS 77 N -0.59 0.42 0.10 2.91 2.47 -0.67 -1.18 119.74 123.20 2pxy s LYS 77 Ca 0.03 1.20 -0.31 0.00 -1.56 0.00 0.00 55.97 55.33 2pxy s LYS 77 Cb -0.06 0.54 -0.12 0.00 -1.46 0.00 0.00 37.83 36.73 2pxy s LYS 77 CO 0.00 -0.23 1.60 0.00 0.16 0.00 0.00 175.35 176.88 2pxy h ALA 78 N 8.11 -0.74 -2.26 3.13 0.00 -1.86 0.56 119.26 126.20 2pxy h ALA 78 Ca -0.17 -0.10 -0.38 0.00 0.00 0.00 0.00 54.91 54.27 2pxy h ALA 78 Cb 1.10 0.57 -0.34 0.00 0.00 0.00 0.00 17.79 19.12 2pxy h ALA 78 CO 0.11 -0.96 -0.67 -1.54 0.00 0.00 0.00 179.25 176.19 2pxy s SER 79 N -4.64 2.01 0.85 0.00 1.04 -1.25 -3.38 113.70 108.34 2pxy s SER 79 Ca -0.17 -0.95 -0.11 0.00 0.48 0.00 0.00 55.95 55.20 2pxy s SER 79 Cb 0.07 0.33 0.11 0.00 0.10 0.00 0.00 66.02 66.63 2pxy s SER 79 CO 0.63 -0.39 1.15 0.68 0.98 0.00 0.00 173.24 176.29 2pxy s VAL 80 N 2.21 2.35 0.27 5.02 -7.23 -0.69 -4.52 120.40 117.81 2pxy s VAL 80 Ca 0.10 0.12 0.05 0.00 -1.81 0.00 0.00 61.98 60.45 2pxy s VAL 80 Cb -0.15 -2.33 -0.06 0.00 0.56 0.00 0.00 36.38 34.41 2pxy s VAL 80 CO -0.31 -0.14 -0.03 -1.10 -0.31 0.00 0.00 175.10 173.21 2pxy s GLN 81 N -4.58 1.48 0.32 4.82 -1.52 -1.26 -0.29 119.66 118.63 2pxy s GLN 81 Ca 0.67 -1.76 0.05 0.00 -1.95 0.00 0.00 55.36 52.37 2pxy s GLN 81 Cb -0.23 -0.95 0.69 0.00 -0.22 0.00 0.00 33.01 32.30 2pxy s GLN 81 CO 0.55 -0.02 1.84 1.49 -0.25 0.00 0.00 175.29 178.91 2pxy h GLU 82 N 2.33 0.82 0.00 2.91 4.81 -1.89 0.18 114.58 123.74 2pxy h GLU 82 Ca -0.39 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2pxy h GLU 82 Cb 1.23 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2pxy h GLU 82 CO 0.67 0.54 0.00 -1.13 -0.73 0.00 0.00 179.01 178.36 2pxy n SER 83 N -4.61 0.00 -0.09 1.04 3.41 -1.26 -1.66 113.62 110.45 2pxy n SER 83 Ca 0.19 -0.14 0.14 0.00 -0.26 0.00 0.00 58.87 58.80 2pxy n SER 83 Cb 0.43 -0.15 0.54 0.00 -0.26 0.00 0.00 64.21 64.76 2pxy n SER 83 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2pxy n ASP 84 N -1.15 0.45 -4.67 4.04 8.00 0.62 -4.83 116.55 119.00 2pxy n ASP 84 Ca 0.08 -0.39 -0.42 0.00 0.71 0.00 0.00 54.79 54.77 2pxy n ASP 84 Cb 0.08 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 2pxy n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2pxy s SER 85 N -2.63 6.47 0.00 -2.24 0.01 -0.66 -4.85 113.70 109.79 2pxy s SER 85 Ca 0.24 2.65 0.00 0.00 1.31 0.00 0.00 55.95 60.14 2pxy s SER 85 Cb 0.19 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2pxy s SER 85 CO 0.52 -1.03 0.00 0.00 0.41 0.00 0.00 173.24 173.14 2pxy n ALA 86 N 7.05 0.00 -3.13 1.44 0.00 -0.83 -4.74 120.51 120.30 2pxy n ALA 86 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.28 2pxy n ALA 86 Cb 0.41 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.73 2pxy n ALA 86 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pxy s VAL 87 N -2.73 3.86 -0.16 0.00 1.01 -0.62 -0.33 120.40 121.43 2pxy s VAL 87 Ca 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 2pxy s VAL 87 Cb 0.00 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2pxy s VAL 87 CO 0.00 0.43 0.08 -0.31 0.00 0.00 0.00 175.10 175.31 2pxy s TYR 88 N 1.00 3.34 -0.08 5.22 1.51 -0.10 -0.13 117.35 128.11 2pxy s TYR 88 Ca 0.01 0.23 0.03 0.00 -1.01 0.00 0.00 57.07 56.34 2pxy s TYR 88 Cb -0.14 -2.04 -0.02 0.00 -0.11 0.00 0.00 41.96 39.65 2pxy s TYR 88 CO 0.01 0.33 -0.18 0.71 -1.11 0.00 0.00 175.55 175.31 2pxy s TYR 89 N -0.04 2.63 0.06 2.71 2.02 0.14 -0.82 117.35 124.06 2pxy s TYR 89 Ca 0.07 -0.56 -0.04 0.00 -0.37 0.00 0.00 57.07 56.18 2pxy s TYR 89 Cb -0.12 -1.69 -0.05 0.00 -0.40 0.00 0.00 41.96 39.71 2pxy s TYR 89 CO 0.01 -0.11 0.28 0.00 -1.57 0.00 0.00 175.55 174.15 2pxy s ALA 91 N -1.46 -0.67 0.14 0.00 0.00 -0.47 -0.37 121.76 118.92 2pxy s ALA 91 Ca 0.33 -0.61 -0.17 0.00 0.00 0.00 0.00 51.96 51.52 2pxy s ALA 91 Cb -0.13 0.97 0.04 0.00 0.00 0.00 0.00 23.12 24.00 2pxy s ALA 91 CO 0.22 -0.92 0.44 -0.48 0.00 0.00 0.00 175.76 175.02 2pxy s LEU 92 N -2.97 0.25 0.05 0.00 0.05 -0.46 -0.37 118.68 115.22 2pxy s LEU 92 Ca 0.17 -0.31 0.02 0.00 0.05 0.00 0.00 54.13 54.06 2pxy s LEU 92 Cb -0.03 1.96 -0.03 0.00 -2.05 0.00 0.00 46.19 46.05 2pxy s LEU 92 CO 0.07 -0.89 -0.08 -0.94 -0.55 0.00 0.00 176.35 173.96 2pxy s SER 93 N -2.81 0.92 0.34 1.48 1.04 -0.70 -1.44 113.70 112.52 2pxy s SER 93 Ca 0.04 -0.59 -0.00 0.00 0.48 0.00 0.00 55.95 55.88 2pxy s SER 93 Cb 0.01 0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 2pxy s SER 93 CO -0.11 -0.22 0.55 -1.61 0.98 0.00 0.00 173.24 172.83 2pxy s GLU 98 N -1.77 3.50 0.00 4.02 0.41 -1.26 0.14 118.70 123.74 2pxy s GLU 98 Ca -0.08 -0.29 0.12 0.00 -0.41 0.00 0.00 54.97 54.31 2pxy s GLU 98 Cb -0.09 -2.66 0.72 0.00 -1.78 0.00 0.00 34.13 30.33 2pxy s GLU 98 CO 0.00 0.15 1.19 0.27 -0.49 0.00 0.00 175.26 176.38 2pxy n ASN 99 N -1.69 0.00 0.30 -0.19 2.04 -1.22 -3.40 115.26 111.10 2pxy n ASN 99 Ca -0.04 -0.80 0.19 0.00 -0.44 0.00 0.00 54.58 53.48 2pxy n ASN 99 Cb 0.56 0.00 0.86 0.00 -2.53 0.00 0.00 39.78 38.67 2pxy n ASN 99 CO 0.00 0.00 0.00 1.88 -0.44 0.00 0.00 177.26 178.70 2pxy h TYR 100 N 0.00 0.00 0.00 -2.53 0.05 -1.92 -3.45 116.97 109.11 2pxy h TYR 100 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2pxy h TYR 100 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2pxy h TYR 100 CO 0.00 0.01 0.00 0.41 -1.05 0.00 0.00 178.16 177.53 2pxy n GLY 101 N -0.36 0.74 0.15 3.88 0.00 -1.22 -4.95 105.19 103.43 2pxy n GLY 101 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 2pxy n GLY 101 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2pxy h ASN 101 N 0.00 -0.34 -1.06 1.61 -0.00 -1.88 -3.47 115.58 110.44 2pxy h ASN 101 Ca 0.00 0.09 -0.20 0.00 -0.00 0.00 0.00 56.30 56.19 2pxy h ASN 101 Cb 0.00 0.20 -0.04 0.00 -0.00 0.00 0.00 38.32 38.48 2pxy h ASN 101 CO 0.00 -0.13 -0.23 -0.62 -0.00 0.00 0.00 177.43 176.45 2pxy n GLU 102 N -5.27 -0.76 -3.36 6.67 -0.58 -1.26 -5.00 120.64 111.09 2pxy n GLU 102 Ca -0.01 0.63 -0.39 0.00 -0.42 0.00 0.00 57.16 56.97 2pxy n GLU 102 Cb 0.19 -4.64 -0.09 0.00 -0.57 0.00 0.00 31.44 26.33 2pxy n GLU 102 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2pxy s LYS 103 N -3.85 3.99 -0.27 3.49 1.02 -1.26 -5.05 119.74 117.81 2pxy s LYS 103 Ca 0.00 0.06 -0.10 0.00 0.02 0.00 0.00 55.97 55.95 2pxy s LYS 103 Cb 0.00 -3.67 -0.05 0.00 -0.52 0.00 0.00 37.83 33.60 2pxy s LYS 103 CO 0.00 -0.31 0.16 0.42 -0.92 0.00 0.00 175.35 174.70 2pxy s ILE 104 N 2.12 5.09 -0.21 2.17 1.09 -1.26 -4.48 121.20 125.72 2pxy s ILE 104 Ca 0.16 0.09 -0.13 0.00 -1.10 0.00 0.00 60.65 59.68 2pxy s ILE 104 Cb -0.16 -3.41 -0.05 0.00 -1.06 0.00 0.00 42.46 37.78 2pxy s ILE 104 CO 0.10 0.27 0.24 -0.89 -0.10 0.00 0.00 174.94 174.57 2pxy s THR 105 N 1.71 5.32 0.25 2.92 2.01 -0.52 -4.94 115.64 122.39 2pxy s THR 105 Ca 0.07 0.40 0.06 0.00 0.31 0.00 0.00 61.69 62.53 2pxy s THR 105 Cb -0.16 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 2pxy s THR 105 CO 0.09 0.35 0.25 -0.36 -0.69 0.00 0.00 174.62 174.26 2pxy s PHE 106 N 0.88 3.20 0.00 4.92 0.40 -1.26 -1.36 117.98 124.75 2pxy s PHE 106 Ca 0.12 -0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 2pxy s PHE 106 Cb -0.13 -1.47 0.00 0.00 0.51 0.00 0.00 43.02 41.93 2pxy s PHE 106 CO 0.04 0.48 0.00 0.41 0.70 0.00 0.00 175.22 176.85 2pxy n GLY 107 N -1.26 0.22 0.12 4.36 0.00 0.49 -4.61 105.19 104.52 2pxy n GLY 107 Ca -0.08 -1.87 0.13 0.00 0.00 0.00 0.00 46.02 44.20 2pxy n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pxy h ALA 108 N -0.95 1.00 0.00 4.61 0.00 -1.89 -3.46 119.26 118.57 2pxy h ALA 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pxy h ALA 108 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2pxy h ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2pxy n GLY 109 N 1.07 -1.55 2.98 0.00 0.00 -1.26 -5.01 105.19 101.42 2pxy n GLY 109 Ca 0.05 -1.40 -0.27 0.00 0.00 0.00 0.00 46.02 44.40 2pxy n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pxy s THR 110 N -3.44 1.21 -0.12 2.61 2.01 0.00 -4.78 115.64 113.13 2pxy s THR 110 Ca 0.00 -0.45 -0.26 0.00 0.31 0.00 0.00 61.69 61.29 2pxy s THR 110 Cb 0.00 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.34 2pxy s THR 110 CO 0.00 0.39 0.86 -0.75 -0.69 0.00 0.00 174.62 174.43 2pxy s LYS 111 N 1.23 4.38 -0.19 4.92 2.36 0.51 -0.92 119.74 132.02 2pxy s LYS 111 Ca -0.03 1.11 -0.02 0.00 -2.55 0.00 0.00 55.97 54.48 2pxy s LYS 111 Cb -0.14 -3.53 -0.00 0.00 -1.05 0.00 0.00 37.83 33.11 2pxy s LYS 111 CO -0.04 -0.22 -0.10 -1.17 1.55 0.00 0.00 175.35 175.37 2pxy s LEU 112 N 1.73 2.63 -0.31 5.43 2.96 0.55 -1.28 118.68 130.40 2pxy s LEU 112 Ca 0.42 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 53.83 2pxy s LEU 112 Cb -0.18 -1.64 0.04 0.00 0.50 0.00 0.00 46.19 44.91 2pxy s LEU 112 CO 0.16 0.02 0.04 -1.58 -1.32 0.00 0.00 176.35 173.67 2pxy s GLN 113 N 1.24 2.62 -0.47 1.98 0.74 -0.03 -1.97 119.66 123.77 2pxy s GLN 113 Ca 0.03 -1.15 -0.17 0.00 0.05 0.00 0.00 55.36 54.11 2pxy s GLN 113 Cb -0.14 -3.28 0.05 0.00 1.10 0.00 0.00 33.01 30.74 2pxy s GLN 113 CO -0.05 -0.59 0.46 0.08 -0.55 0.00 0.00 175.29 174.65 2pxy s VAL 114 N 1.34 5.10 0.32 1.34 1.01 -1.26 -0.88 120.40 127.37 2pxy s VAL 114 Ca -0.02 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 2pxy s VAL 114 Cb -0.19 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 31.94 2pxy s VAL 114 CO 0.00 -0.59 1.44 -0.69 0.00 0.00 0.00 175.10 175.26 2pxy s VAL 115 N 2.03 2.40 -2.00 2.92 1.01 0.24 -4.58 120.40 122.42 2pxy s VAL 115 Ca 0.09 0.37 0.09 0.00 0.00 0.00 0.00 61.98 62.54 2pxy s VAL 115 Cb -0.21 -3.24 0.27 0.00 0.00 0.00 0.00 36.38 33.20 2pxy s VAL 115 CO 0.10 0.08 1.01 -0.81 0.00 0.00 0.00 175.10 175.48