#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfy s GLU 2 N 0.00 4.00 0.39 5.55 -1.05 -1.18 -4.90 118.70 121.50 1sfy s GLU 2 Ca 0.00 0.09 0.08 0.00 -0.15 0.00 0.00 54.97 54.98 1sfy s GLU 2 Cb 0.00 -3.67 -0.04 0.00 -0.44 0.00 0.00 34.13 29.99 1sfy s GLU 2 CO 0.00 -0.32 0.23 0.95 0.95 0.00 0.00 175.26 177.07 1sfy s THR 3 N 2.14 2.71 -0.17 1.83 -4.23 -1.26 -2.42 115.64 114.24 1sfy s THR 3 Ca 0.16 -1.58 -0.19 0.00 -1.18 0.00 0.00 61.69 58.90 1sfy s THR 3 Cb -0.16 -3.00 0.05 0.00 1.34 0.00 0.00 72.50 70.73 1sfy s THR 3 CO 0.10 -0.07 0.52 -0.51 -0.54 0.00 0.00 174.62 174.12 1sfy s ILE 4 N -2.49 0.00 -0.17 2.99 2.07 -0.66 -4.99 121.20 117.95 1sfy s ILE 4 Ca 0.42 -0.04 -0.29 0.00 -1.41 0.00 0.00 60.65 59.33 1sfy s ILE 4 Cb -0.01 -0.75 0.11 0.00 0.13 0.00 0.00 42.46 41.94 1sfy s ILE 4 CO 0.24 -0.02 0.91 -0.94 -1.91 0.00 0.00 174.94 173.22 1sfy s SER 5 N 0.04 -0.49 0.04 4.50 1.04 -1.26 -1.36 113.70 116.21 1sfy s SER 5 Ca -0.02 0.66 -0.09 0.00 0.48 0.00 0.00 55.95 56.98 1sfy s SER 5 Cb -0.04 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1sfy s SER 5 CO 0.02 -0.36 0.19 0.72 0.98 0.00 0.00 173.24 174.79 1sfy s PHE 6 N -0.71 0.06 -0.24 5.02 -0.12 -0.60 -4.99 117.98 116.40 1sfy s PHE 6 Ca -0.03 -0.30 -0.03 0.00 -0.05 0.00 0.00 56.93 56.52 1sfy s PHE 6 Cb -0.02 -0.03 0.13 0.00 -0.63 0.00 0.00 43.02 42.47 1sfy s PHE 6 CO 0.02 -0.44 0.39 0.45 -0.05 0.00 0.00 175.22 175.59 1sfy s SER 7 N -2.14 0.14 -0.36 1.98 0.15 -1.26 -0.88 113.70 111.33 1sfy s SER 7 Ca -0.04 0.32 -0.11 0.00 0.70 0.00 0.00 55.95 56.82 1sfy s SER 7 Cb -0.01 1.17 0.02 0.00 -1.71 0.00 0.00 66.02 65.49 1sfy s SER 7 CO -0.04 -0.29 0.20 -0.36 1.20 0.00 0.00 173.24 173.94 1sfy s PHE 8 N 2.56 3.23 0.03 3.44 0.08 0.07 -4.91 117.98 122.49 1sfy s PHE 8 Ca 0.12 -0.85 0.27 0.00 0.12 0.00 0.00 56.93 56.58 1sfy s PHE 8 Cb -0.15 -2.43 0.96 0.00 -0.57 0.00 0.00 43.02 40.83 1sfy s PHE 8 CO -0.16 -0.60 1.83 0.77 -0.10 0.00 0.00 175.22 176.97 1sfy h SER 9 N 8.43 0.00 -5.06 1.36 0.02 -1.86 -2.16 113.55 114.27 1sfy h SER 9 Ca -0.27 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 60.79 1sfy h SER 9 Cb 1.11 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.56 1sfy h SER 9 CO 0.66 0.13 0.39 -1.83 -1.14 0.00 0.00 176.83 175.04 1sfy s GLU 10 N -3.56 1.25 -0.07 3.45 -1.05 -1.25 -4.58 118.70 112.89 1sfy s GLU 10 Ca 0.02 -0.63 -0.05 0.00 -0.15 0.00 0.00 54.97 54.17 1sfy s GLU 10 Cb 0.09 0.47 -0.04 0.00 -0.44 0.00 0.00 34.13 34.21 1sfy s GLU 10 CO 0.61 -0.57 0.14 -0.06 0.95 0.00 0.00 175.26 176.33 1sfy s PHE 11 N -3.45 3.51 -0.18 4.83 0.08 0.01 -5.00 117.98 117.78 1sfy s PHE 11 Ca 0.09 0.41 -0.01 0.00 0.12 0.00 0.00 56.93 57.54 1sfy s PHE 11 Cb -0.02 -1.87 -0.00 0.00 -0.57 0.00 0.00 43.02 40.55 1sfy s PHE 11 CO -0.01 0.67 -0.11 -1.21 -0.10 0.00 0.00 175.22 174.46 1sfy s GLU 12 N -1.38 3.29 0.41 0.44 2.02 -1.26 -4.00 118.70 118.22 1sfy s GLU 12 Ca 0.20 -0.70 -0.26 0.00 0.02 0.00 0.00 54.97 54.23 1sfy s GLU 12 Cb -0.12 -2.77 -0.10 0.00 0.10 0.00 0.00 34.13 31.24 1sfy s GLU 12 CO 0.10 -0.06 1.41 -2.30 0.02 0.00 0.00 175.26 174.43 1sfy n PRO 13 N 4.31 2.32 -0.99 0.39 -0.02 -1.26 -2.35 135.00 137.39 1sfy n PRO 13 Ca -0.19 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1sfy n PRO 13 Cb 0.51 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1sfy n PRO 13 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sfy n GLY 14 N 0.60 0.56 3.73 -1.23 0.00 -1.26 -5.00 105.19 102.58 1sfy n GLY 14 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1sfy n GLY 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sfy s ASN 15 N -2.18 6.74 0.23 1.61 3.84 -0.99 -4.93 114.94 119.26 1sfy s ASN 15 Ca 0.00 2.50 0.07 0.00 0.21 0.00 0.00 52.86 55.64 1sfy s ASN 15 Cb 0.00 -2.60 0.23 0.00 -0.55 0.00 0.00 41.25 38.32 1sfy s ASN 15 CO 0.00 -0.68 1.54 0.44 -2.79 0.00 0.00 177.10 175.61 1sfy h ASP 16 N 5.96 0.15 0.00 -4.21 3.32 -1.94 -3.24 116.42 116.46 1sfy h ASP 16 Ca -0.44 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.52 1sfy h ASP 16 Cb 1.21 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1sfy h ASP 16 CO 0.83 0.78 0.00 0.59 -1.72 0.00 0.00 179.24 179.71 1sfy n ASN 17 N -3.79 0.00 -4.14 6.45 5.03 -1.26 -4.70 115.26 112.85 1sfy n ASN 17 Ca -0.02 -1.02 -0.30 0.00 0.87 0.00 0.00 54.58 54.11 1sfy n ASN 17 Cb 0.66 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 39.26 1sfy n ASN 17 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1sfy s LEU 18 N -1.65 1.93 -0.28 3.41 1.02 -1.22 0.30 118.68 122.18 1sfy s LEU 18 Ca 0.23 -0.49 -0.08 0.00 0.02 0.00 0.00 54.13 53.81 1sfy s LEU 18 Cb 0.11 -1.24 -0.02 0.00 0.02 0.00 0.00 46.19 45.06 1sfy s LEU 18 CO 0.18 0.09 0.11 -0.89 0.02 0.00 0.00 176.35 175.86 1sfy s THR 19 N 0.65 4.47 -0.13 5.49 2.01 0.64 -4.87 115.64 123.90 1sfy s THR 19 Ca -0.13 -0.30 -0.12 0.00 0.31 0.00 0.00 61.69 61.45 1sfy s THR 19 Cb -0.16 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 1sfy s THR 19 CO 0.03 0.19 0.26 -0.76 -0.69 0.00 0.00 174.62 173.66 1sfy s LEU 20 N 1.61 4.31 0.14 4.42 1.02 -1.26 -0.86 118.68 128.05 1sfy s LEU 20 Ca 0.05 0.54 0.07 0.00 0.02 0.00 0.00 54.13 54.81 1sfy s LEU 20 Cb -0.16 -2.31 -0.04 0.00 0.02 0.00 0.00 46.19 43.70 1sfy s LEU 20 CO 0.05 0.21 -0.16 -1.10 0.02 0.00 0.00 176.35 175.37 1sfy s GLN 21 N -0.09 1.12 5.49 1.70 -0.21 0.31 -4.99 119.66 122.99 1sfy s GLN 21 Ca 0.16 -1.29 0.00 0.00 0.02 0.00 0.00 55.36 54.25 1sfy s GLN 21 Cb -0.13 -1.09 0.00 0.00 1.00 0.00 0.00 33.01 32.78 1sfy s GLN 21 CO 0.05 0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.85 1sfy n GLY 22 N 0.50 2.54 0.21 3.09 0.00 -1.26 -1.57 105.19 108.70 1sfy n GLY 22 Ca -0.15 -0.42 0.15 0.00 0.00 0.00 0.00 46.02 45.60 1sfy n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfy h ALA 23 N -0.99 1.00 -0.98 4.61 0.00 -0.79 -3.47 119.26 118.64 1sfy h ALA 23 Ca 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 54.91 54.17 1sfy h ALA 23 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.86 1sfy h ALA 23 CO 0.00 0.00 -0.11 0.45 0.00 0.00 0.00 179.25 179.59 1sfy n SER 24 N -2.71 -0.37 -3.64 0.00 2.88 -1.03 -4.64 113.62 104.11 1sfy n SER 24 Ca 0.01 1.13 -0.15 0.00 -1.33 0.00 0.00 58.87 58.53 1sfy n SER 24 Cb 0.27 -0.91 -0.08 0.00 -0.75 0.00 0.00 64.21 62.74 1sfy n SER 24 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1sfy s LEU 25 N 0.88 -0.13 -0.20 2.46 0.20 -0.51 -4.69 118.68 116.69 1sfy s LEU 25 Ca 0.81 0.76 -0.04 0.00 0.69 0.00 0.00 54.13 56.35 1sfy s LEU 25 Cb -1.14 2.02 -0.02 0.00 -0.43 0.00 0.00 46.19 46.61 1sfy s LEU 25 CO 0.55 -0.40 -0.02 -0.63 -0.29 0.00 0.00 176.35 175.56 1sfy s ILE 26 N -0.60 3.77 0.71 6.68 1.01 -1.26 0.11 121.20 131.61 1sfy s ILE 26 Ca -0.07 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 1sfy s ILE 26 Cb -0.03 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.76 1sfy s ILE 26 CO 0.05 0.44 1.09 0.42 0.00 0.00 0.00 174.94 176.93 1sfy s THR 27 N 1.02 3.59 0.15 2.92 -4.23 -0.19 -4.79 115.64 114.12 1sfy s THR 27 Ca 0.01 0.52 0.30 0.00 -1.18 0.00 0.00 61.69 61.34 1sfy s THR 27 Cb -0.14 -3.47 0.33 0.00 1.34 0.00 0.00 72.50 70.55 1sfy s THR 27 CO 0.01 -0.67 1.94 1.56 -0.54 0.00 0.00 174.62 176.92 1sfy h GLN 28 N -0.68 0.00 0.00 3.99 1.08 -1.94 -1.98 115.11 115.58 1sfy h GLN 28 Ca -0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 1sfy h GLN 28 Cb 1.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 1sfy h GLN 28 CO 0.63 0.09 0.00 -1.13 -0.95 0.00 0.00 178.83 177.47 1sfy n SER 29 N -3.25 0.00 0.00 1.46 3.41 -1.26 -4.89 113.62 109.09 1sfy n SER 29 Ca 0.00 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 1sfy n SER 29 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1sfy n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sfy n GLY 30 N 0.76 0.77 3.69 5.00 0.00 -0.74 -4.95 105.19 109.71 1sfy n GLY 30 Ca 0.20 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1sfy n GLY 30 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sfy s VAL 31 N -2.00 4.26 -0.39 1.61 -7.23 -1.26 -0.81 120.40 114.58 1sfy s VAL 31 Ca 0.00 -0.44 -0.19 0.00 -1.81 0.00 0.00 61.98 59.54 1sfy s VAL 31 Cb 0.00 -2.86 0.01 0.00 0.56 0.00 0.00 36.38 34.09 1sfy s VAL 31 CO 0.00 0.47 0.54 -0.22 -0.31 0.00 0.00 175.10 175.58 1sfy s LEU 32 N -1.30 4.47 -0.51 1.32 2.96 -0.44 -1.02 118.68 124.18 1sfy s LEU 32 Ca 0.17 -0.22 -0.16 0.00 -0.22 0.00 0.00 54.13 53.70 1sfy s LEU 32 Cb -0.11 -2.60 0.09 0.00 0.50 0.00 0.00 46.19 44.07 1sfy s LEU 32 CO 0.07 -0.59 0.46 -1.10 -1.32 0.00 0.00 176.35 173.88 1sfy s GLN 33 N 2.48 3.00 0.14 1.98 -0.21 0.12 -0.68 119.66 126.48 1sfy s GLN 33 Ca 0.19 -1.45 -0.15 0.00 0.02 0.00 0.00 55.36 53.97 1sfy s GLN 33 Cb -0.15 -4.20 0.01 0.00 1.00 0.00 0.00 33.01 29.67 1sfy s GLN 33 CO 0.15 -1.18 1.69 -0.07 -2.12 0.00 0.00 175.29 173.77 1sfy h LEU 34 N 8.93 0.61 -9.45 2.90 3.38 -1.59 -1.35 115.31 118.74 1sfy h LEU 34 Ca -0.29 -0.17 -0.62 0.00 0.09 0.00 0.00 57.88 56.90 1sfy h LEU 34 Cb 1.10 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.58 1sfy h LEU 34 CO 0.95 0.61 -0.68 0.42 0.09 0.00 0.00 178.44 179.84 1sfy s THR 35 N -5.56 3.65 0.38 0.22 -4.23 -1.26 -2.50 115.64 106.33 1sfy s THR 35 Ca -0.13 -1.39 -0.28 0.00 -1.18 0.00 0.00 61.69 58.71 1sfy s THR 35 Cb 0.11 -2.81 -0.11 0.00 1.34 0.00 0.00 72.50 71.03 1sfy s THR 35 CO 0.76 -0.06 1.46 1.17 -0.54 0.00 0.00 174.62 177.41 1sfy n LYS 36 N 0.05 2.59 -4.54 3.99 4.81 -1.26 -4.79 118.16 119.02 1sfy n LYS 36 Ca -0.10 0.91 -0.31 0.00 -0.87 0.00 0.00 58.31 57.94 1sfy n LYS 36 Cb 0.55 -2.63 -0.17 0.00 0.02 0.00 0.00 35.03 32.80 1sfy n LYS 36 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1sfy s ILE 37 N -1.12 1.81 1.14 3.15 1.01 -1.26 -1.12 121.20 124.81 1sfy s ILE 37 Ca 0.54 -0.83 -0.16 0.00 0.00 0.00 0.00 60.65 60.21 1sfy s ILE 37 Cb -0.48 -1.63 0.26 0.00 0.01 0.00 0.00 42.46 40.62 1sfy s ILE 37 CO 0.63 0.50 1.07 0.20 0.00 0.00 0.00 174.94 177.35 1sfy s ASN 38 N 0.93 1.39 0.53 3.58 0.01 0.23 -4.86 114.94 116.75 1sfy s ASN 38 Ca -0.06 1.03 0.30 0.00 -0.71 0.00 0.00 52.86 53.41 1sfy s ASN 38 Cb -0.15 -1.56 1.46 0.00 0.41 0.00 0.00 41.25 41.41 1sfy s ASN 38 CO -0.03 -3.88 2.05 0.06 -1.51 0.00 0.00 177.10 173.80 1sfy h GLN 39 N -2.40 0.00 -0.34 -0.60 3.07 -2.01 -0.31 115.11 112.53 1sfy h GLN 39 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.22 1sfy h GLN 39 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.88 1sfy h GLN 39 CO 0.47 0.10 0.00 0.27 0.09 0.00 0.00 178.83 179.76 1sfy n ASN 40 N -3.45 1.29 0.00 0.06 6.94 -1.26 -4.88 115.26 113.96 1sfy n ASN 40 Ca -0.01 -2.05 0.00 0.00 -0.02 0.00 0.00 54.58 52.50 1sfy n ASN 40 Cb 0.26 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 1sfy n ASN 40 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sfy n GLY 41 N 0.68 0.60 3.84 4.83 0.00 -0.12 -5.02 105.19 110.00 1sfy n GLY 41 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1sfy n GLY 41 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sfy s MET 42 N -0.39 3.20 0.23 1.61 -1.94 -1.26 -4.75 119.30 116.00 1sfy s MET 42 Ca 0.00 -0.49 -0.32 0.00 -1.71 0.00 0.00 55.69 53.17 1sfy s MET 42 Cb 0.00 -2.93 -0.13 0.00 2.01 0.00 0.00 34.83 33.78 1sfy s MET 42 CO 0.00 0.62 1.50 -0.35 -0.01 0.00 0.00 175.02 176.78 1sfy n PRO 43 N 0.70 2.23 -3.49 2.03 -0.04 -1.26 -0.60 135.00 134.56 1sfy n PRO 43 Ca -0.09 0.80 -0.34 0.00 -0.04 0.00 0.00 63.50 63.82 1sfy n PRO 43 Cb 0.52 -2.51 -0.05 0.00 -0.04 0.00 0.00 33.50 31.41 1sfy n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sfy s ALA 44 N 0.23 3.66 0.71 0.55 0.00 -0.27 -4.76 121.76 121.88 1sfy s ALA 44 Ca 0.70 -0.30 -0.04 0.00 0.00 0.00 0.00 51.96 52.32 1sfy s ALA 44 Cb -0.62 -2.37 0.09 0.00 0.00 0.00 0.00 23.12 20.23 1sfy s ALA 44 CO 0.46 0.53 1.00 1.67 0.00 0.00 0.00 175.76 179.42 1sfy s TRP 45 N -1.52 2.35 -1.31 0.00 1.48 -1.26 -4.41 118.94 114.27 1sfy s TRP 45 Ca 0.38 0.12 -0.02 0.00 -1.06 0.00 0.00 56.10 55.52 1sfy s TRP 45 Cb -0.14 -3.16 -0.00 0.00 -1.16 0.00 0.00 33.47 29.01 1sfy s TRP 45 CO 0.20 -1.54 0.64 -3.47 -4.06 0.00 0.00 176.95 168.72 1sfy n ASP 46 N -2.88 -1.42 -4.16 -2.66 2.03 0.68 -4.94 116.55 103.19 1sfy n ASP 46 Ca 0.11 -0.88 -0.21 0.00 0.52 0.00 0.00 54.79 54.32 1sfy n ASP 46 Cb 0.60 -3.78 -0.14 0.00 -0.72 0.00 0.00 41.12 37.09 1sfy n ASP 46 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1sfy s SER 47 N -4.27 1.81 -0.06 1.67 0.15 -1.26 -4.98 113.70 106.77 1sfy s SER 47 Ca 0.05 -0.44 -0.03 0.00 0.70 0.00 0.00 55.95 56.23 1sfy s SER 47 Cb -0.02 -0.14 0.03 0.00 -1.71 0.00 0.00 66.02 64.18 1sfy s SER 47 CO 0.83 0.08 0.13 -0.89 1.20 0.00 0.00 173.24 174.59 1sfy s THR 48 N -0.76 -0.03 -0.04 6.45 2.01 -1.26 -0.86 115.64 121.15 1sfy s THR 48 Ca 0.03 0.11 -0.14 0.00 0.31 0.00 0.00 61.69 62.00 1sfy s THR 48 Cb -0.08 -0.21 0.03 0.00 0.01 0.00 0.00 72.50 72.25 1sfy s THR 48 CO 0.01 0.04 0.32 -0.83 -0.69 0.00 0.00 174.62 173.47 1sfy s GLY 49 N 0.72 -0.18 0.07 4.40 0.00 -0.92 -0.17 107.32 111.25 1sfy s GLY 49 Ca -0.05 0.47 -0.03 0.00 0.00 0.00 0.00 44.72 45.11 1sfy s GLY 49 CO -0.03 0.28 0.03 0.50 0.00 0.00 0.00 173.10 173.88 1sfy s ARG 50 N -0.99 0.72 -0.02 2.90 0.52 -0.61 -1.31 118.95 120.16 1sfy s ARG 50 Ca -0.11 -1.22 -0.00 0.00 -0.52 0.00 0.00 55.73 53.89 1sfy s ARG 50 Cb -0.05 0.24 0.03 0.00 0.52 0.00 0.00 34.95 35.70 1sfy s ARG 50 CO 0.03 -0.17 0.04 0.99 0.02 0.00 0.00 175.30 176.21 1sfy s THR 51 N -3.93 -0.06 0.10 0.02 2.01 -0.14 -0.53 115.64 113.10 1sfy s THR 51 Ca 0.10 0.22 0.08 0.00 0.31 0.00 0.00 61.69 62.40 1sfy s THR 51 Cb 0.07 -0.09 -0.03 0.00 0.01 0.00 0.00 72.50 72.45 1sfy s THR 51 CO -0.08 0.09 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.97 1sfy s LEU 52 N 1.08 2.29 0.08 4.42 1.02 -0.04 -0.87 118.68 126.65 1sfy s LEU 52 Ca -0.09 -0.67 -0.30 0.00 0.02 0.00 0.00 54.13 53.08 1sfy s LEU 52 Cb -0.13 -0.90 -0.05 0.00 0.02 0.00 0.00 46.19 45.12 1sfy s LEU 52 CO -0.03 0.07 1.10 -0.47 0.02 0.00 0.00 176.35 177.04 1sfy s TYR 53 N -1.12 3.56 0.27 0.29 5.04 -0.68 -0.26 117.35 124.45 1sfy s TYR 53 Ca 0.07 1.51 0.34 0.00 -2.44 0.00 0.00 57.07 56.56 1sfy s TYR 53 Cb -0.10 -3.28 1.87 0.00 0.35 0.00 0.00 41.96 40.80 1sfy s TYR 53 CO 0.04 -0.67 2.05 0.00 -1.34 0.00 0.00 175.55 175.63 1sfy h ALA 54 N 6.31 1.00 -3.32 3.97 0.00 -0.45 -3.42 119.26 123.36 1sfy h ALA 54 Ca -0.42 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.85 1sfy h ALA 54 Cb 1.21 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.81 1sfy h ALA 54 CO 0.77 0.00 -0.64 0.15 0.00 0.00 0.00 179.25 179.53 1sfy s LYS 55 N -3.88 3.59 0.56 0.00 1.02 -1.26 -5.05 119.74 114.72 1sfy s LYS 55 Ca -0.04 -0.47 -0.18 0.00 0.02 0.00 0.00 55.97 55.30 1sfy s LYS 55 Cb 0.10 -2.94 -0.05 0.00 -0.52 0.00 0.00 37.83 34.42 1sfy s LYS 55 CO 0.32 0.34 1.07 -1.25 -0.92 0.00 0.00 175.35 174.91 1sfy s PRO 56 N 0.12 3.41 -0.05 -1.68 0.04 -1.26 -4.80 135.00 130.78 1sfy s PRO 56 Ca 0.00 1.36 0.05 0.00 0.04 0.00 0.00 61.00 62.45 1sfy s PRO 56 Cb -0.13 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1sfy s PRO 56 CO 0.02 -0.76 -0.18 0.14 0.04 0.00 0.00 177.00 176.27 1sfy s VAL 57 N -2.15 2.75 -0.68 -0.36 -7.23 0.05 -4.92 120.40 107.87 1sfy s VAL 57 Ca 0.67 -0.83 -0.27 0.00 -1.81 0.00 0.00 61.98 59.74 1sfy s VAL 57 Cb -0.18 -2.05 0.04 0.00 0.56 0.00 0.00 36.38 34.74 1sfy s VAL 57 CO 0.30 0.58 1.20 -2.28 -0.31 0.00 0.00 175.10 174.59 1sfy s HIS 58 N -0.57 2.44 -0.06 2.82 2.46 -1.26 -1.53 115.29 119.59 1sfy s HIS 58 Ca 0.08 0.02 0.13 0.00 0.47 0.00 0.00 55.06 55.76 1sfy s HIS 58 Cb -0.11 -4.53 -0.14 0.00 -0.13 0.00 0.00 32.58 27.67 1sfy s HIS 58 CO 0.01 -1.86 0.97 0.97 -2.47 0.00 0.00 174.74 172.36 1sfy h ILE 59 N 6.06 0.89 -2.28 0.89 6.09 -1.40 -3.45 117.51 124.30 1sfy h ILE 59 Ca -0.27 -2.50 0.02 0.00 -1.37 0.00 0.00 64.86 60.74 1sfy h ILE 59 Cb 1.06 2.36 -0.17 0.00 0.47 0.00 0.00 36.82 40.54 1sfy h ILE 59 CO 1.23 0.51 0.34 -1.66 -3.07 0.00 0.00 178.15 175.50 1sfy s TRP 60 N -2.80 -0.49 -0.19 2.19 1.48 -1.18 0.15 118.94 118.10 1sfy s TRP 60 Ca -0.01 0.57 -0.01 0.00 -1.06 0.00 0.00 56.10 55.59 1sfy s TRP 60 Cb 0.09 0.49 0.01 0.00 -1.16 0.00 0.00 33.47 32.90 1sfy s TRP 60 CO 0.81 -0.61 -0.15 0.34 -4.06 0.00 0.00 176.95 173.27 1sfy s ASP 61 N -1.96 3.53 0.37 -2.66 2.15 -0.13 -4.53 116.67 113.44 1sfy s ASP 61 Ca -0.02 -0.56 0.13 0.00 0.43 0.00 0.00 52.55 52.53 1sfy s ASP 61 Cb -0.01 -1.57 0.73 0.00 -0.30 0.00 0.00 42.92 41.77 1sfy s ASP 61 CO -0.03 -0.00 1.83 -0.03 -0.17 0.00 0.00 175.17 176.77 1sfy h MET 62 N 7.98 0.00 0.03 4.34 1.85 -1.95 0.24 114.93 127.42 1sfy h MET 62 Ca -0.44 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 58.65 1sfy h MET 62 Cb 1.15 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.18 1sfy h MET 62 CO 0.63 0.37 -0.01 1.15 -0.40 0.00 0.00 176.91 178.64 1sfy h THR 63 N 0.00 1.24 0.00 -0.77 2.02 -1.96 -3.27 112.91 110.17 1sfy h THR 63 Ca -0.00 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1sfy h THR 63 Cb 0.65 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1sfy h THR 63 CO 0.05 0.22 -0.71 0.35 0.37 0.00 0.00 175.52 175.79 1sfy n THR 64 N -4.93 0.07 -1.01 3.16 -2.24 -1.21 -4.95 114.28 103.16 1sfy n THR 64 Ca -0.08 -0.08 -0.01 0.00 -2.27 0.00 0.00 64.05 61.62 1sfy n THR 64 Cb 0.20 0.33 -0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1sfy n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sfy n GLY 65 N 1.46 0.35 3.84 3.38 0.00 0.85 -5.00 105.19 110.07 1sfy n GLY 65 Ca 0.04 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1sfy n GLY 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sfy s THR 66 N -1.66 4.71 0.04 2.61 -4.23 -1.17 -4.90 115.64 111.04 1sfy s THR 66 Ca 0.00 0.96 0.08 0.00 -1.18 0.00 0.00 61.69 61.55 1sfy s THR 66 Cb 0.00 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 1sfy s THR 66 CO 0.00 -0.00 -0.22 0.54 -0.54 0.00 0.00 174.62 174.40 1sfy s VAL 67 N -1.76 1.76 0.37 2.29 0.11 -1.26 -0.96 120.40 120.95 1sfy s VAL 67 Ca 0.48 -1.23 -0.15 0.00 -2.93 0.00 0.00 61.98 58.14 1sfy s VAL 67 Cb -0.13 -1.53 -0.09 0.00 -1.53 0.00 0.00 36.38 33.11 1sfy s VAL 67 CO 0.19 0.24 0.80 0.00 -3.33 0.00 0.00 175.10 173.01 1sfy s ALA 68 N -0.80 3.25 -0.09 1.54 0.00 0.12 -4.66 121.76 121.13 1sfy s ALA 68 Ca 0.08 0.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.07 1sfy s ALA 68 Cb -0.09 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 1sfy s ALA 68 CO 0.02 0.19 0.15 -1.12 0.00 0.00 0.00 175.76 174.99 1sfy s SER 69 N -2.47 6.34 0.16 0.00 0.01 -0.74 -4.51 113.70 112.49 1sfy s SER 69 Ca 0.56 0.42 -0.04 0.00 1.31 0.00 0.00 55.95 58.20 1sfy s SER 69 Cb -0.10 -2.03 -0.03 0.00 0.21 0.00 0.00 66.02 64.07 1sfy s SER 69 CO 0.20 0.37 0.16 0.72 0.41 0.00 0.00 173.24 175.09 1sfy s PHE 70 N -1.11 0.74 -0.16 2.43 -0.12 -0.99 -1.49 117.98 117.28 1sfy s PHE 70 Ca 0.18 -1.09 -0.14 0.00 -0.05 0.00 0.00 56.93 55.84 1sfy s PHE 70 Cb -0.12 -0.33 0.04 0.00 -0.63 0.00 0.00 43.02 41.98 1sfy s PHE 70 CO 0.08 -0.62 0.41 -2.00 -0.05 0.00 0.00 175.22 173.04 1sfy s GLU 71 N -4.04 0.47 0.02 1.99 2.12 -0.56 -0.73 118.70 117.97 1sfy s GLU 71 Ca 0.24 0.59 0.02 0.00 0.36 0.00 0.00 54.97 56.18 1sfy s GLU 71 Cb 0.06 0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.64 1sfy s GLU 71 CO 0.03 -0.07 -0.06 -0.08 -0.54 0.00 0.00 175.26 174.54 1sfy s THR 72 N 0.36 0.45 -0.01 -1.70 -1.32 -0.03 -1.16 115.64 112.22 1sfy s THR 72 Ca -0.01 -0.68 0.01 0.00 -1.21 0.00 0.00 61.69 59.79 1sfy s THR 72 Cb -0.04 -0.46 0.01 0.00 -1.51 0.00 0.00 72.50 70.50 1sfy s THR 72 CO -0.01 -0.17 -0.02 -0.13 -2.21 0.00 0.00 174.62 172.08 1sfy s ARG 73 N -0.92 0.25 0.14 7.08 0.52 -0.38 -1.33 118.95 124.31 1sfy s ARG 73 Ca -0.05 -0.05 -0.18 0.00 -0.52 0.00 0.00 55.73 54.93 1sfy s ARG 73 Cb -0.06 -0.30 0.05 0.00 0.52 0.00 0.00 34.95 35.15 1sfy s ARG 73 CO 0.00 0.00 0.48 -0.59 0.02 0.00 0.00 175.30 175.21 1sfy s PHE 74 N 0.26 -0.31 -0.02 -0.53 -0.71 -1.01 0.24 117.98 115.90 1sfy s PHE 74 Ca -0.02 0.03 0.04 0.00 -1.04 0.00 0.00 56.93 55.93 1sfy s PHE 74 Cb -0.05 0.37 -0.00 0.00 -1.21 0.00 0.00 43.02 42.12 1sfy s PHE 74 CO -0.01 -0.77 -0.12 -1.54 -1.34 0.00 0.00 175.22 171.45 1sfy s SER 75 N -2.79 1.50 0.31 1.98 1.04 -1.02 -0.71 113.70 114.01 1sfy s SER 75 Ca 0.03 -0.24 -0.00 0.00 0.48 0.00 0.00 55.95 56.22 1sfy s SER 75 Cb 0.01 -0.28 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 1sfy s SER 75 CO -0.12 0.13 0.36 0.72 0.98 0.00 0.00 173.24 175.31 1sfy s PHE 76 N -0.08 1.21 -0.08 5.02 -0.71 -0.61 -0.68 117.98 122.05 1sfy s PHE 76 Ca 0.01 -1.36 -0.08 0.00 -1.04 0.00 0.00 56.93 54.45 1sfy s PHE 76 Cb -0.07 -0.32 0.02 0.00 -1.21 0.00 0.00 43.02 41.44 1sfy s PHE 76 CO 0.00 -0.97 0.24 -1.54 -1.34 0.00 0.00 175.22 171.61 1sfy s SER 77 N -3.24 -0.24 -0.15 1.98 1.04 -0.50 0.47 113.70 113.06 1sfy s SER 77 Ca 0.34 0.45 0.01 0.00 0.48 0.00 0.00 55.95 57.23 1sfy s SER 77 Cb 0.02 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.63 1sfy s SER 77 CO 0.20 -0.10 -0.18 -0.63 0.98 0.00 0.00 173.24 173.51 1sfy s ILE 78 N 0.04 1.81 -0.18 -1.02 1.01 -1.26 -2.34 121.20 119.25 1sfy s ILE 78 Ca -0.01 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 1sfy s ILE 78 Cb -0.02 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 1sfy s ILE 78 CO 0.00 0.50 -0.10 -0.70 0.00 0.00 0.00 174.94 174.65 1sfy s GLU 79 N 1.20 3.32 -0.71 2.79 2.12 -1.25 -1.88 118.70 124.29 1sfy s GLU 79 Ca 0.00 -0.68 -0.04 0.00 0.36 0.00 0.00 54.97 54.62 1sfy s GLU 79 Cb -0.14 -2.81 0.18 0.00 0.26 0.00 0.00 34.13 31.62 1sfy s GLU 79 CO -0.08 -0.06 0.55 -0.65 -0.54 0.00 0.00 175.26 174.48 1sfy s GLN 80 N 1.07 2.85 0.46 4.30 -0.21 -1.26 -1.36 119.66 125.51 1sfy s GLN 80 Ca 0.00 -2.68 0.25 0.00 0.02 0.00 0.00 55.36 52.95 1sfy s GLN 80 Cb -0.15 -3.87 0.56 0.00 1.00 0.00 0.00 33.01 30.56 1sfy s GLN 80 CO -0.02 -1.21 1.69 -1.00 -2.12 0.00 0.00 175.29 172.63 1sfy h PRO 81 N 6.91 0.00 -6.37 2.91 0.13 -1.97 -3.47 132.00 130.14 1sfy h PRO 81 Ca 0.04 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.62 1sfy h PRO 81 Cb 0.94 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.03 1sfy h PRO 81 CO 0.74 0.01 0.04 0.71 -0.23 0.00 0.00 178.00 179.27 1sfy s TYR 82 N -3.31 3.79 0.04 1.56 1.51 -1.26 -4.97 117.35 114.71 1sfy s TYR 82 Ca 0.06 1.36 -0.18 0.00 -1.01 0.00 0.00 57.07 57.30 1sfy s TYR 82 Cb 0.06 -2.57 -0.18 0.00 -0.11 0.00 0.00 41.96 39.16 1sfy s TYR 82 CO 0.64 0.51 1.23 1.15 -1.11 0.00 0.00 175.55 177.98 1sfy h THR 83 N 3.28 1.37 -3.21 -0.71 2.02 -1.95 -3.46 112.91 110.24 1sfy h THR 83 Ca -0.49 -1.81 -0.13 0.00 0.77 0.00 0.00 66.41 64.75 1sfy h THR 83 Cb 1.21 2.19 -0.21 0.00 -1.74 0.00 0.00 68.15 69.59 1sfy h THR 83 CO 0.65 0.54 -0.37 0.00 0.37 0.00 0.00 175.52 176.71 1sfy s ARG 84 N -3.69 0.55 0.00 6.66 3.03 -1.26 -4.76 118.95 119.48 1sfy s ARG 84 Ca -0.13 -0.18 0.00 0.00 2.03 0.00 0.00 55.73 57.45 1sfy s ARG 84 Cb 0.06 0.24 0.00 0.00 -1.03 0.00 0.00 34.95 34.22 1sfy s ARG 84 CO 0.82 -0.14 0.00 -0.35 -1.13 0.00 0.00 175.30 174.51 1sfy n PRO 85 N 1.59 0.74 -1.98 3.89 -0.04 -1.26 -4.93 135.00 133.01 1sfy n PRO 85 Ca -0.21 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.85 1sfy n PRO 85 Cb 0.56 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.01 1sfy n PRO 85 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1sfy s LEU 86 N 0.00 4.37 0.72 1.53 2.96 -1.26 -4.83 118.68 122.17 1sfy s LEU 86 Ca 0.00 2.84 -0.12 0.00 -0.22 0.00 0.00 54.13 56.63 1sfy s LEU 86 Cb 0.00 -3.67 0.03 0.00 0.50 0.00 0.00 46.19 43.05 1sfy s LEU 86 CO 0.00 -0.69 1.08 -2.16 -1.32 0.00 0.00 176.35 173.26 1sfy s PRO 87 N -1.94 2.61 0.03 0.98 0.04 -1.26 -4.57 135.00 130.90 1sfy s PRO 87 Ca 0.51 1.14 -0.28 0.00 0.04 0.00 0.00 61.00 62.41 1sfy s PRO 87 Cb -0.43 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.27 1sfy s PRO 87 CO 0.57 -1.37 0.87 0.00 0.04 0.00 0.00 177.00 177.11 1sfy s ALA 88 N -2.84 -1.77 -0.02 8.56 0.00 -1.25 -4.35 121.76 120.08 1sfy s ALA 88 Ca 0.61 0.83 0.03 0.00 0.00 0.00 0.00 51.96 53.43 1sfy s ALA 88 Cb -0.17 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1sfy s ALA 88 CO 0.52 -0.75 0.03 -0.25 0.00 0.00 0.00 175.76 175.31 1sfy n ASP 89 N -0.29 4.29 0.00 0.00 8.00 0.27 -3.19 116.55 125.62 1sfy n ASP 89 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1sfy n ASP 89 Cb 0.62 0.74 0.00 0.00 -0.02 0.00 0.00 41.12 42.46 1sfy n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sfy n GLY 90 N 2.67 0.86 3.16 0.44 0.00 -1.11 -1.52 105.19 109.70 1sfy n GLY 90 Ca -0.03 -2.06 -0.11 0.00 0.00 0.00 0.00 46.02 43.82 1sfy n GLY 90 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1sfy s LEU 91 N 0.00 2.49 0.02 0.99 0.05 -0.96 -1.97 118.68 119.30 1sfy s LEU 91 Ca 0.00 -0.97 -0.03 0.00 0.05 0.00 0.00 54.13 53.18 1sfy s LEU 91 Cb 0.00 -0.08 -0.01 0.00 -2.05 0.00 0.00 46.19 44.05 1sfy s LEU 91 CO 0.00 -0.45 0.03 -0.69 -0.55 0.00 0.00 176.35 174.70 1sfy s VAL 92 N -3.44 0.10 -0.18 1.48 1.01 0.45 -0.90 120.40 118.93 1sfy s VAL 92 Ca 0.10 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 1sfy s VAL 92 Cb 0.04 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1sfy s VAL 92 CO -0.04 -0.48 0.04 0.12 0.00 0.00 0.00 175.10 174.74 1sfy s PHE 93 N -1.55 3.19 0.09 5.22 5.36 -0.73 -1.37 117.98 128.20 1sfy s PHE 93 Ca -0.15 -0.03 -0.02 0.00 -0.96 0.00 0.00 56.93 55.78 1sfy s PHE 93 Cb -0.08 -2.05 -0.04 0.00 -0.34 0.00 0.00 43.02 40.51 1sfy s PHE 93 CO -0.00 0.10 0.03 -0.59 -1.46 0.00 0.00 175.22 173.30 1sfy s PHE 94 N 0.37 0.67 -0.02 10.12 -0.71 -0.35 -0.70 117.98 127.37 1sfy s PHE 94 Ca 0.01 -1.12 0.02 0.00 -1.04 0.00 0.00 56.93 54.80 1sfy s PHE 94 Cb -0.13 -0.41 0.00 0.00 -1.21 0.00 0.00 43.02 41.27 1sfy s PHE 94 CO 0.01 -0.47 -0.07 -1.64 -1.34 0.00 0.00 175.22 171.72 1sfy s MET 95 N -3.98 0.68 0.01 1.99 -1.94 0.46 -1.67 119.30 114.84 1sfy s MET 95 Ca 0.16 -0.22 -0.01 0.00 -1.71 0.00 0.00 55.69 53.91 1sfy s MET 95 Cb 0.07 -0.66 0.00 0.00 2.01 0.00 0.00 34.83 36.26 1sfy s MET 95 CO -0.04 0.09 0.03 0.41 -0.01 0.00 0.00 175.02 175.50 1sfy n GLY 96 N 3.24 1.36 3.62 -0.03 0.00 -1.04 -0.72 105.19 111.63 1sfy n GLY 96 Ca -0.17 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 1sfy n GLY 96 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sfy n PRO 97 N -0.02 1.02 -1.88 1.61 -0.02 -1.25 -1.35 135.00 133.10 1sfy n PRO 97 Ca -0.00 0.39 -0.32 0.00 -2.02 0.00 0.00 63.50 61.54 1sfy n PRO 97 Cb 0.02 -2.16 0.02 0.00 -0.02 0.00 0.00 33.50 31.36 1sfy n PRO 97 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1sfy s THR 98 N -1.47 3.86 -1.31 3.45 -4.23 -1.26 -3.62 115.64 111.06 1sfy s THR 98 Ca 0.73 0.79 -0.04 0.00 -1.18 0.00 0.00 61.69 61.98 1sfy s THR 98 Cb -0.44 -3.37 0.01 0.00 1.34 0.00 0.00 72.50 70.04 1sfy s THR 98 CO 0.49 -0.61 1.00 0.29 -0.54 0.00 0.00 174.62 175.25 1sfy n LYS 99 N -2.40 -6.59 -3.30 3.99 4.76 -1.26 -4.97 118.16 108.38 1sfy n LYS 99 Ca 0.08 0.77 -0.26 0.00 -2.87 0.00 0.00 58.31 56.03 1sfy n LYS 99 Cb 0.53 -5.70 -0.02 0.00 -1.84 0.00 0.00 35.03 28.00 1sfy n LYS 99 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1sfy s SER 100 N -3.92 6.35 0.31 4.39 1.04 -1.24 -5.11 113.70 115.52 1sfy s SER 100 Ca 0.26 0.59 0.10 0.00 0.48 0.00 0.00 55.95 57.37 1sfy s SER 100 Cb -0.12 -2.09 -0.05 0.00 0.10 0.00 0.00 66.02 63.86 1sfy s SER 100 CO 0.76 -0.28 -0.04 -0.54 0.98 0.00 0.00 173.24 174.12 1sfy s LYS 101 N -4.05 2.03 0.43 4.02 -0.14 -1.26 -5.10 119.74 115.67 1sfy s LYS 101 Ca 0.42 -1.68 -0.25 0.00 -1.36 0.00 0.00 55.97 53.10 1sfy s LYS 101 Cb -0.10 -1.94 -0.10 0.00 -1.68 0.00 0.00 37.83 34.02 1sfy s LYS 101 CO 0.35 0.23 1.20 -2.30 -0.76 0.00 0.00 175.35 174.07 1sfy n PRO 102 N -0.86 1.75 0.00 -1.68 -0.02 -1.26 -5.00 135.00 127.93 1sfy n PRO 102 Ca -0.05 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1sfy n PRO 102 Cb 0.61 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1sfy n PRO 102 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sfy n ALA 103 N -0.34 0.00 -1.79 3.55 0.00 -0.49 -5.01 120.51 116.43 1sfy n ALA 103 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.15 1sfy n ALA 103 Cb 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.80 1sfy n ALA 103 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1sfy s GLN 104 N 4.91 4.24 0.00 0.00 -1.52 -0.24 -4.72 119.66 122.32 1sfy s GLN 104 Ca 0.00 1.43 0.00 0.00 -1.95 0.00 0.00 55.36 54.84 1sfy s GLN 104 Cb 0.00 -2.54 0.00 0.00 -0.22 0.00 0.00 33.01 30.25 1sfy s GLN 104 CO 0.00 -0.06 0.00 0.41 -0.25 0.00 0.00 175.29 175.39 1sfy n GLY 105 N 0.26 0.93 7.00 3.09 0.00 -1.26 0.12 105.19 115.33 1sfy n GLY 105 Ca 0.05 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1sfy n GLY 105 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sfy n TYR 106 N 0.00 0.00 0.23 1.61 4.01 -1.26 -1.85 117.16 119.91 1sfy n TYR 106 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 1sfy n TYR 106 Cb 0.00 0.03 0.69 0.00 -0.31 0.00 0.00 39.34 39.75 1sfy n TYR 106 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1sfy h GLY 107 N 0.00 0.00 0.36 2.72 0.00 -1.92 0.13 103.07 104.36 1sfy h GLY 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sfy h GLY 107 CO 0.00 0.00 -0.03 -1.72 0.00 0.00 0.00 176.54 174.79 1sfy n TYR 108 N -2.49 0.00 -1.22 5.60 4.01 -0.77 -4.91 117.16 117.38 1sfy n TYR 108 Ca -0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.62 1sfy n TYR 108 Cb 0.20 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 39.15 1sfy n TYR 108 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1sfy n LEU 109 N -0.50 -0.64 0.00 7.72 4.77 0.44 -1.90 117.00 126.89 1sfy n LEU 109 Ca 0.20 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1sfy n LEU 109 Cb 0.25 -1.79 0.00 0.00 -2.33 0.00 0.00 43.42 39.55 1sfy n LEU 109 CO 0.19 -0.60 0.00 0.61 -1.33 0.00 0.00 177.39 176.26 1sfy n GLY 110 N -0.10 0.49 0.00 -0.72 0.00 0.12 -4.30 105.19 100.68 1sfy n GLY 110 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1sfy n GLY 110 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1sfy n ILE 111 N -2.87 0.00 -4.29 -0.61 -5.35 -0.80 -1.40 119.36 104.04 1sfy n ILE 111 Ca 0.00 -0.39 -0.16 0.00 -0.27 0.00 0.00 62.75 61.93 1sfy n ILE 111 Cb 0.03 1.08 -0.10 0.00 -1.74 0.00 0.00 39.64 38.91 1sfy n ILE 111 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1sfy s PHE 112 N -0.50 1.41 -0.07 4.28 0.08 -1.15 -4.85 117.98 117.18 1sfy s PHE 112 Ca 0.00 -0.76 0.13 0.00 0.12 0.00 0.00 56.93 56.42 1sfy s PHE 112 Cb 0.00 -0.73 -0.19 0.00 -0.57 0.00 0.00 43.02 41.53 1sfy s PHE 112 CO 0.00 0.11 0.18 0.09 -0.10 0.00 0.00 175.22 175.50 1sfy n ASN 113 N -0.28 1.75 -2.45 1.36 3.02 -1.26 -1.08 115.26 116.32 1sfy n ASN 113 Ca -0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.37 1sfy n ASN 113 Cb 0.61 1.24 -0.01 0.00 -0.61 0.00 0.00 39.78 41.01 1sfy n ASN 113 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1sfy n ASN 114 N -2.24 -1.21 -1.15 6.41 0.23 -1.26 -4.83 115.26 111.21 1sfy n ASN 114 Ca -0.12 -2.35 0.09 0.00 -0.53 0.00 0.00 54.58 51.67 1sfy n ASN 114 Cb 0.65 2.16 0.27 0.00 -2.08 0.00 0.00 39.78 40.77 1sfy n ASN 114 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1sfy n SER 115 N -1.65 3.36 -4.84 0.53 3.41 -1.26 -4.59 113.62 108.58 1sfy n SER 115 Ca -0.01 -2.10 -0.35 0.00 -0.26 0.00 0.00 58.87 56.14 1sfy n SER 115 Cb 0.44 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.90 1sfy n SER 115 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1sfy s LYS 116 N -1.38 4.05 -0.41 4.33 3.01 -1.26 -4.70 119.74 123.38 1sfy s LYS 116 Ca 0.40 0.60 -0.27 0.00 -1.01 0.00 0.00 55.97 55.69 1sfy s LYS 116 Cb 0.22 -2.86 0.02 0.00 -1.01 0.00 0.00 37.83 34.21 1sfy s LYS 116 CO 0.25 0.42 1.00 -1.14 0.51 0.00 0.00 175.35 176.39 1sfy s GLN 117 N -2.10 3.77 -0.24 1.68 0.74 -1.26 -4.71 119.66 117.54 1sfy s GLN 117 Ca 0.41 0.55 -0.00 0.00 0.05 0.00 0.00 55.36 56.37 1sfy s GLN 117 Cb -0.15 -3.85 0.07 0.00 1.10 0.00 0.00 33.01 30.18 1sfy s GLN 117 CO 0.20 -1.12 -0.00 0.34 -0.55 0.00 0.00 175.29 174.16 1sfy s ASP 118 N 2.08 3.69 0.11 6.67 -1.08 -0.87 -4.97 116.67 122.31 1sfy s ASP 118 Ca 0.41 -1.21 0.05 0.00 -0.52 0.00 0.00 52.55 51.29 1sfy s ASP 118 Cb -0.10 -1.01 0.29 0.00 -1.46 0.00 0.00 42.92 40.64 1sfy s ASP 118 CO 0.23 -0.29 1.05 0.59 0.52 0.00 0.00 175.17 177.28 1sfy n ASN 119 N 4.77 0.14 0.25 -0.34 5.03 -1.26 -0.02 115.26 123.83 1sfy n ASN 119 Ca -0.09 0.45 0.14 0.00 0.87 0.00 0.00 54.58 55.95 1sfy n ASN 119 Cb 0.44 -0.45 0.58 0.00 -1.02 0.00 0.00 39.78 39.33 1sfy n ASN 119 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 1sfy h SER 120 N 0.00 0.00 -0.75 6.41 0.87 -1.93 -3.07 113.55 115.08 1sfy h SER 120 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1sfy h SER 120 Cb 0.31 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 1sfy h SER 120 CO 0.00 0.10 0.23 1.88 -0.53 0.00 0.00 176.83 178.51 1sfy h TYR 121 N 0.00 1.21 -6.46 2.24 0.05 -0.78 -3.47 116.97 109.77 1sfy h TYR 121 Ca -0.00 -0.13 -0.50 0.00 0.05 0.00 0.00 58.73 58.15 1sfy h TYR 121 Cb 0.62 -0.35 -0.08 0.00 1.01 0.00 0.00 36.73 37.93 1sfy h TYR 121 CO 0.00 0.96 -0.82 1.04 -1.05 0.00 0.00 178.16 178.28 1sfy n GLN 122 N -4.24 -4.15 -5.02 4.88 6.02 -1.16 -4.59 117.38 109.11 1sfy n GLN 122 Ca 0.06 0.48 -0.29 0.00 -0.01 0.00 0.00 57.00 57.25 1sfy n GLN 122 Cb 0.24 -5.08 -0.16 0.00 1.02 0.00 0.00 30.24 26.25 1sfy n GLN 122 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1sfy s THR 123 N -3.52 1.71 -0.10 5.09 2.01 -1.26 -3.95 115.64 115.61 1sfy s THR 123 Ca 0.43 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.60 1sfy s THR 123 Cb -0.23 -1.46 -0.00 0.00 0.01 0.00 0.00 72.50 70.82 1sfy s THR 123 CO 0.87 0.48 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.84 1sfy s LEU 124 N 0.02 2.18 0.00 4.42 2.96 0.10 -1.19 118.68 127.18 1sfy s LEU 124 Ca -0.06 -0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 53.28 1sfy s LEU 124 Cb -0.13 -1.44 -0.00 0.00 0.50 0.00 0.00 46.19 45.12 1sfy s LEU 124 CO 0.03 0.16 0.09 -0.83 -1.32 0.00 0.00 176.35 174.49 1sfy s GLY 125 N 0.33 0.08 -0.31 7.98 0.00 0.21 -0.41 107.32 115.21 1sfy s GLY 125 Ca -0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 44.72 44.33 1sfy s GLY 125 CO 0.08 -0.32 0.01 0.14 0.00 0.00 0.00 173.10 173.01 1sfy s VAL 126 N -1.27 2.75 0.19 1.40 1.01 0.12 0.35 120.40 124.96 1sfy s VAL 126 Ca -0.14 -1.67 -0.00 0.00 0.00 0.00 0.00 61.98 60.17 1sfy s VAL 126 Cb -0.08 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1sfy s VAL 126 CO 0.01 -0.24 0.38 -1.83 0.00 0.00 0.00 175.10 173.42 1sfy s GLU 127 N 1.15 3.51 -0.53 2.72 -1.05 0.74 -1.77 118.70 123.47 1sfy s GLU 127 Ca -0.02 -0.36 0.04 0.00 -0.15 0.00 0.00 54.97 54.48 1sfy s GLU 127 Cb -0.20 -2.85 0.15 0.00 -0.44 0.00 0.00 34.13 30.79 1sfy s GLU 127 CO -0.03 0.41 0.36 -0.06 0.95 0.00 0.00 175.26 176.89 1sfy s PHE 128 N -1.85 2.44 -0.13 4.83 0.08 -0.08 -0.95 117.98 122.33 1sfy s PHE 128 Ca 0.38 -2.79 -0.26 0.00 0.12 0.00 0.00 56.93 54.37 1sfy s PHE 128 Cb -0.11 -2.03 -0.02 0.00 -0.57 0.00 0.00 43.02 40.29 1sfy s PHE 128 CO 0.29 -0.70 0.87 0.34 -0.10 0.00 0.00 175.22 175.91 1sfy s ASP 129 N -0.42 7.06 0.00 1.36 -1.08 -0.31 -2.26 116.67 121.03 1sfy s ASP 129 Ca 0.24 1.30 0.13 0.00 -0.52 0.00 0.00 52.55 53.70 1sfy s ASP 129 Cb -0.11 -2.48 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1sfy s ASP 129 CO -0.10 -0.36 0.76 0.35 0.52 0.00 0.00 175.17 176.33 1sfy n THR 130 N 4.50 0.00 -4.76 1.71 -2.24 -0.58 -1.11 114.28 111.80 1sfy n THR 130 Ca 0.05 -0.37 -0.24 0.00 -2.27 0.00 0.00 64.05 61.21 1sfy n THR 130 Cb 0.49 1.16 -0.16 0.00 -2.10 0.00 0.00 70.33 69.73 1sfy n THR 130 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1sfy s PHE 131 N -1.59 1.50 -0.50 4.78 5.36 -1.23 -4.68 117.98 121.61 1sfy s PHE 131 Ca 0.11 -0.34 -0.21 0.00 -0.96 0.00 0.00 56.93 55.54 1sfy s PHE 131 Cb 0.11 -0.99 0.05 0.00 -0.34 0.00 0.00 43.02 41.85 1sfy s PHE 131 CO 0.32 -0.07 0.70 0.45 -1.46 0.00 0.00 175.22 175.15 1sfy s SER 132 N -0.20 6.27 0.69 6.13 0.15 -1.26 -4.99 113.70 120.49 1sfy s SER 132 Ca 0.02 -0.66 -0.03 0.00 0.70 0.00 0.00 55.95 55.99 1sfy s SER 132 Cb -0.08 -2.33 0.09 0.00 -1.71 0.00 0.00 66.02 61.99 1sfy s SER 132 CO 0.00 -0.94 0.97 0.20 1.20 0.00 0.00 173.24 174.67 1sfy s ASN 133 N 2.57 4.62 0.55 5.45 -0.87 -1.26 -4.91 114.94 121.08 1sfy s ASN 133 Ca 0.20 0.00 0.26 0.00 -1.57 0.00 0.00 52.86 51.75 1sfy s ASN 133 Cb -0.17 -0.56 1.45 0.00 -0.02 0.00 0.00 41.25 41.95 1sfy s ASN 133 CO 0.15 -1.67 2.01 0.06 -2.57 0.00 0.00 177.10 175.08 1sfy h GLN 134 N -0.48 0.00 -0.02 -0.60 -0.00 -1.98 -0.17 115.11 111.86 1sfy h GLN 134 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.24 1sfy h GLN 134 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.77 1sfy h GLN 134 CO 0.49 0.00 -0.13 -2.67 -0.00 0.00 0.00 178.83 176.52 1sfy n TRP 135 N -4.20 0.00 -3.66 0.06 2.14 -1.26 -4.95 117.44 105.57 1sfy n TRP 135 Ca 0.07 0.00 -0.22 0.00 2.07 0.00 0.00 57.50 59.42 1sfy n TRP 135 Cb 0.53 -0.03 -0.01 0.00 -0.81 0.00 0.00 31.31 30.98 1sfy n TRP 135 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1sfy s ASP 136 N -2.20 6.28 0.84 -0.67 1.01 -0.08 -4.80 116.67 117.06 1sfy s ASP 136 Ca 0.30 0.23 -0.12 0.00 0.71 0.00 0.00 52.55 53.68 1sfy s ASP 136 Cb 0.20 -1.90 0.10 0.00 1.01 0.00 0.00 42.92 42.33 1sfy s ASP 136 CO 0.41 -0.20 1.10 -2.16 0.21 0.00 0.00 175.17 174.52 1sfy s PRO 137 N -4.15 1.71 0.29 8.23 0.04 -1.26 -4.76 135.00 135.10 1sfy s PRO 137 Ca 0.37 0.66 -0.02 0.00 0.04 0.00 0.00 61.00 62.05 1sfy s PRO 137 Cb -0.09 -1.87 0.43 0.00 0.04 0.00 0.00 34.50 33.00 1sfy s PRO 137 CO 0.32 -1.89 1.94 -1.35 0.04 0.00 0.00 177.00 176.07 1sfy h PRO 138 N -1.28 1.11 -6.56 0.56 0.11 -1.98 -3.44 132.00 120.51 1sfy h PRO 138 Ca -0.48 -0.07 -0.53 0.00 0.11 0.00 0.00 66.00 65.04 1sfy h PRO 138 Cb 1.28 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1sfy h PRO 138 CO 0.58 0.74 0.49 -0.65 -0.21 0.00 0.00 178.00 178.94 1sfy s GLN 139 N -5.96 4.54 -0.03 1.05 1.11 -1.26 -4.87 119.66 114.23 1sfy s GLN 139 Ca -0.12 1.69 -0.07 0.00 0.01 0.00 0.00 55.36 56.87 1sfy s GLN 139 Cb 0.18 -3.33 0.01 0.00 -1.01 0.00 0.00 33.01 28.86 1sfy s GLN 139 CO 0.80 -0.05 0.15 0.14 0.01 0.00 0.00 175.29 176.34 1sfy s VAL 140 N 0.40 0.05 0.76 1.09 -7.23 -1.26 -4.37 120.40 109.84 1sfy s VAL 140 Ca 0.53 -0.38 -0.11 0.00 -1.81 0.00 0.00 61.98 60.21 1sfy s VAL 140 Cb -0.28 -0.35 0.05 0.00 0.56 0.00 0.00 36.38 36.36 1sfy s VAL 140 CO 0.32 -0.21 1.08 -2.16 -0.31 0.00 0.00 175.10 173.82 1sfy s PRO 141 N -0.72 2.39 -0.00 4.82 0.04 -1.25 -4.95 135.00 135.32 1sfy s PRO 141 Ca -0.08 0.75 -0.12 0.00 0.04 0.00 0.00 61.00 61.60 1sfy s PRO 141 Cb -0.05 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1sfy s PRO 141 CO 0.01 -1.43 0.24 -3.38 0.04 0.00 0.00 177.00 172.48 1sfy s HIS 142 N -3.12 -0.08 0.07 0.56 -3.43 -0.27 -2.01 115.29 107.02 1sfy s HIS 142 Ca 0.60 0.07 -0.15 0.00 -0.80 0.00 0.00 55.06 54.78 1sfy s HIS 142 Cb -0.14 0.04 -0.06 0.00 -1.43 0.00 0.00 32.58 30.98 1sfy s HIS 142 CO 0.54 -0.36 0.50 0.42 -2.00 0.00 0.00 174.74 173.84 1sfy s ILE 143 N -1.49 4.90 -0.04 -5.38 1.01 0.11 -1.16 121.20 119.15 1sfy s ILE 143 Ca -0.13 0.90 -0.07 0.00 0.00 0.00 0.00 60.65 61.36 1sfy s ILE 143 Cb -0.06 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.66 1sfy s ILE 143 CO 0.02 0.44 0.16 -0.83 0.00 0.00 0.00 174.94 174.73 1sfy s GLY 144 N -1.35 -0.06 -0.34 6.18 0.00 -0.12 -0.75 107.32 110.88 1sfy s GLY 144 Ca 0.30 0.23 -0.12 0.00 0.00 0.00 0.00 44.72 45.13 1sfy s GLY 144 CO 0.17 0.13 0.21 -0.42 0.00 0.00 0.00 173.10 173.19 1sfy s ILE 145 N -0.53 4.97 -0.24 0.90 1.01 -0.89 -0.19 121.20 126.23 1sfy s ILE 145 Ca -0.06 -0.38 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 1sfy s ILE 145 Cb -0.04 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1sfy s ILE 145 CO 0.01 -0.02 0.07 -1.81 0.00 0.00 0.00 174.94 173.18 1sfy s ASP 146 N 1.67 5.21 -0.33 3.58 1.01 0.16 -1.72 116.67 126.24 1sfy s ASP 146 Ca 0.05 -0.16 0.04 0.00 0.71 0.00 0.00 52.55 53.19 1sfy s ASP 146 Cb -0.18 -1.93 0.10 0.00 1.01 0.00 0.00 42.92 41.92 1sfy s ASP 146 CO 0.09 0.00 0.05 -0.69 0.21 0.00 0.00 175.17 174.82 1sfy s VAL 147 N 1.41 2.16 -1.88 -1.27 1.01 -1.26 -0.61 120.40 119.96 1sfy s VAL 147 Ca 0.05 -2.24 0.00 0.00 0.00 0.00 0.00 61.98 59.79 1sfy s VAL 147 Cb -0.15 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1sfy s VAL 147 CO 0.04 -0.58 0.00 0.59 0.00 0.00 0.00 175.10 175.15 1sfy n ASN 148 N 4.31 -5.44 -3.60 3.32 3.02 -0.33 -4.93 115.26 111.60 1sfy n ASN 148 Ca 0.03 0.23 -0.09 0.00 -0.03 0.00 0.00 54.58 54.72 1sfy n ASN 148 Cb 0.42 -4.67 -0.06 0.00 -0.61 0.00 0.00 39.78 34.87 1sfy n ASN 148 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1sfy s SER 149 N -2.33 -0.35 0.22 6.41 0.15 -1.26 -2.04 113.70 114.49 1sfy s SER 149 Ca 0.00 0.50 0.24 0.00 0.70 0.00 0.00 55.95 57.40 1sfy s SER 149 Cb 0.00 0.45 0.91 0.00 -1.71 0.00 0.00 66.02 65.68 1sfy s SER 149 CO 0.00 -0.24 1.73 0.00 1.20 0.00 0.00 173.24 175.93 1sfy n ILE 150 N 1.22 0.72 -2.85 6.45 0.13 -1.26 -4.37 119.36 119.40 1sfy n ILE 150 Ca -0.10 0.04 -0.43 0.00 -1.10 0.00 0.00 62.75 61.16 1sfy n ILE 150 Cb 0.57 -0.93 -0.04 0.00 -0.84 0.00 0.00 39.64 38.41 1sfy n ILE 150 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 1sfy s ARG 151 N -3.21 3.18 0.46 9.51 3.52 -1.26 -4.97 118.95 126.17 1sfy s ARG 151 Ca 0.07 -0.94 -0.22 0.00 -0.13 0.00 0.00 55.73 54.51 1sfy s ARG 151 Cb 0.11 -4.33 -0.10 0.00 -1.56 0.00 0.00 34.95 29.06 1sfy s ARG 151 CO 0.46 -1.83 0.84 0.43 -0.81 0.00 0.00 175.30 174.39 1sfy n SER 152 N 7.63 0.41 0.09 -2.12 7.64 -1.26 -4.79 113.62 121.22 1sfy n SER 152 Ca 0.00 0.94 0.12 0.00 1.01 0.00 0.00 58.87 60.94 1sfy n SER 152 Cb 0.46 -1.28 0.16 0.00 -1.01 0.00 0.00 64.21 62.55 1sfy n SER 152 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1sfy h ILE 153 N 1.07 0.00 -2.93 0.44 3.07 -1.70 -3.46 117.51 114.01 1sfy h ILE 153 Ca -0.44 -0.65 -0.13 0.00 1.55 0.00 0.00 64.86 65.19 1sfy h ILE 153 Cb 1.36 1.31 -0.23 0.00 -0.27 0.00 0.00 36.82 38.99 1sfy h ILE 153 CO 0.54 0.00 -0.30 -0.75 -1.05 0.00 0.00 178.15 176.59 1sfy s LYS 154 N -3.20 0.48 0.04 0.16 2.47 -1.25 -5.03 119.74 113.41 1sfy s LYS 154 Ca 0.05 0.29 0.01 0.00 -1.56 0.00 0.00 55.97 54.77 1sfy s LYS 154 Cb 0.12 0.23 -0.03 0.00 -1.46 0.00 0.00 37.83 36.69 1sfy s LYS 154 CO 0.71 -0.09 -0.06 0.99 0.16 0.00 0.00 175.35 177.07 1sfy s THR 155 N -0.25 0.43 -0.23 3.43 2.01 -1.26 -2.10 115.64 117.67 1sfy s THR 155 Ca -0.04 -1.16 -0.03 0.00 0.31 0.00 0.00 61.69 60.77 1sfy s THR 155 Cb -0.03 -0.68 0.12 0.00 0.01 0.00 0.00 72.50 71.92 1sfy s THR 155 CO 0.02 -0.50 0.33 -1.58 -0.69 0.00 0.00 174.62 172.20 1sfy s GLN 156 N -1.90 0.30 0.55 4.92 2.00 0.07 -4.96 119.66 120.62 1sfy s GLN 156 Ca -0.08 0.42 -0.20 0.00 -2.00 0.00 0.00 55.36 53.50 1sfy s GLN 156 Cb -0.07 -0.73 -0.05 0.00 0.80 0.00 0.00 33.01 32.96 1sfy s GLN 156 CO -0.01 -0.65 1.19 -2.14 -0.50 0.00 0.00 175.29 173.18 1sfy s PRO 157 N 2.47 3.25 0.07 1.67 0.02 -1.26 0.08 135.00 141.30 1sfy s PRO 157 Ca 0.11 1.79 -0.10 0.00 0.02 0.00 0.00 61.00 62.81 1sfy s PRO 157 Cb -0.16 -2.07 0.01 0.00 0.02 0.00 0.00 34.50 32.30 1sfy s PRO 157 CO -0.15 -0.97 0.23 -0.59 -0.33 0.00 0.00 177.00 175.19 1sfy s PHE 158 N -1.61 0.05 -0.14 6.54 -0.71 -0.85 -4.85 117.98 116.40 1sfy s PHE 158 Ca 0.73 -0.35 -0.15 0.00 -1.04 0.00 0.00 56.93 56.12 1sfy s PHE 158 Cb -0.29 0.00 -0.05 0.00 -1.21 0.00 0.00 43.02 41.48 1sfy s PHE 158 CO 0.33 -0.51 0.34 -1.14 -1.34 0.00 0.00 175.22 172.90 1sfy s GLN 159 N -3.20 4.26 -0.02 1.99 0.74 -1.26 -3.94 119.66 118.23 1sfy s GLN 159 Ca -0.00 0.19 -0.29 0.00 0.05 0.00 0.00 55.36 55.31 1sfy s GLN 159 Cb 0.02 -3.42 -0.03 0.00 1.10 0.00 0.00 33.01 30.68 1sfy s GLN 159 CO -0.07 0.24 0.94 -1.17 -0.55 0.00 0.00 175.29 174.67 1sfy s LEU 160 N 0.45 4.35 -1.01 3.68 2.96 -1.26 -4.97 118.68 122.87 1sfy s LEU 160 Ca 0.19 1.57 -0.12 0.00 -0.22 0.00 0.00 54.13 55.56 1sfy s LEU 160 Cb -0.14 -3.49 0.24 0.00 0.50 0.00 0.00 46.19 43.31 1sfy s LEU 160 CO 0.06 -0.25 1.02 -1.81 -1.32 0.00 0.00 176.35 174.05 1sfy s ASP 161 N 0.98 7.08 -0.48 3.68 1.01 -1.26 -5.00 116.67 122.68 1sfy s ASP 161 Ca 0.49 -3.17 -0.44 0.00 0.71 0.00 0.00 52.55 50.15 1sfy s ASP 161 Cb -0.20 -2.23 -0.19 0.00 1.01 0.00 0.00 42.92 41.31 1sfy s ASP 161 CO 0.26 -0.46 1.81 -3.20 0.21 0.00 0.00 175.17 173.79 1sfy n ASN 162 N 3.54 0.94 0.00 0.27 5.15 -1.26 -0.13 115.26 123.77 1sfy n ASN 162 Ca 0.21 0.90 0.00 0.00 -0.60 0.00 0.00 54.58 55.09 1sfy n ASN 162 Cb 0.43 -0.86 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 1sfy n ASN 162 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sfy n GLY 163 N 5.57 2.13 3.87 8.20 0.00 -0.79 -4.98 105.19 119.19 1sfy n GLY 163 Ca 0.42 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 1sfy n GLY 163 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sfy s GLN 164 N -0.10 3.84 0.05 1.61 -1.52 0.82 -4.84 119.66 119.52 1sfy s GLN 164 Ca 0.00 0.56 -0.28 0.00 -1.95 0.00 0.00 55.36 53.69 1sfy s GLN 164 Cb 0.00 -2.37 -0.05 0.00 -0.22 0.00 0.00 33.01 30.37 1sfy s GLN 164 CO 0.00 -0.02 0.87 0.08 -0.25 0.00 0.00 175.29 175.97 1sfy s VAL 165 N -2.31 4.71 0.02 1.09 1.01 -1.26 -4.33 120.40 119.33 1sfy s VAL 165 Ca 0.53 1.86 0.05 0.00 0.00 0.00 0.00 61.98 64.41 1sfy s VAL 165 Cb -0.10 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 1sfy s VAL 165 CO 0.28 0.29 -0.12 0.00 0.00 0.00 0.00 175.10 175.55 1sfy s ALA 166 N 0.28 2.81 -0.13 5.51 0.00 0.18 -4.22 121.76 126.18 1sfy s ALA 166 Ca 0.44 -1.10 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 1sfy s ALA 166 Cb -0.21 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 1sfy s ALA 166 CO 0.26 0.59 -0.02 -0.80 0.00 0.00 0.00 175.76 175.79 1sfy s ASN 167 N -1.41 4.98 -0.02 0.00 0.01 0.89 -1.57 114.94 117.83 1sfy s ASN 167 Ca 0.16 -0.03 0.06 0.00 -0.71 0.00 0.00 52.86 52.34 1sfy s ASN 167 Cb -0.11 -1.67 -0.02 0.00 0.41 0.00 0.00 41.25 39.87 1sfy s ASN 167 CO 0.06 0.24 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.99 1sfy s VAL 168 N -0.05 1.65 -0.08 1.60 1.01 0.11 -0.47 120.40 124.16 1sfy s VAL 168 Ca 0.02 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 1sfy s VAL 168 Cb -0.13 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 34.91 1sfy s VAL 168 CO 0.02 0.47 -0.04 -0.69 0.00 0.00 0.00 175.10 174.86 1sfy s VAL 169 N -0.47 0.66 -0.13 2.92 1.01 -0.51 -2.41 120.40 121.46 1sfy s VAL 169 Ca 0.07 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1sfy s VAL 169 Cb -0.08 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.58 1sfy s VAL 169 CO -0.01 0.29 -0.19 -0.63 0.00 0.00 0.00 175.10 174.57 1sfy s ILE 170 N 1.61 1.83 0.02 2.22 1.01 -0.44 0.01 121.20 127.47 1sfy s ILE 170 Ca 0.01 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.86 1sfy s ILE 170 Cb -0.13 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1sfy s ILE 170 CO -0.05 0.51 -0.12 -0.75 0.00 0.00 0.00 174.94 174.53 1sfy s LYS 171 N 0.97 0.87 -0.11 2.79 2.20 0.31 -0.85 119.74 125.92 1sfy s LYS 171 Ca -0.05 -0.64 -0.00 0.00 -0.36 0.00 0.00 55.97 54.92 1sfy s LYS 171 Cb -0.15 -0.84 0.02 0.00 -1.51 0.00 0.00 37.83 35.35 1sfy s LYS 171 CO -0.04 0.21 -0.08 -0.47 -0.36 0.00 0.00 175.35 174.61 1sfy s TYR 172 N -0.71 1.51 -0.33 4.03 5.04 0.09 -0.97 117.35 125.99 1sfy s TYR 172 Ca 0.01 -0.74 -0.12 0.00 -2.44 0.00 0.00 57.07 53.78 1sfy s TYR 172 Cb -0.07 -1.23 -0.02 0.00 0.35 0.00 0.00 41.96 40.99 1sfy s TYR 172 CO 0.01 -0.50 0.22 -0.51 -1.34 0.00 0.00 175.55 173.43 1sfy s ASP 173 N 1.60 5.95 0.31 4.32 1.01 -0.54 -2.36 116.67 126.97 1sfy s ASP 173 Ca 0.03 -0.43 0.01 0.00 0.71 0.00 0.00 52.55 52.87 1sfy s ASP 173 Cb -0.13 -2.11 0.50 0.00 1.01 0.00 0.00 42.92 42.19 1sfy s ASP 173 CO -0.07 -0.22 1.87 0.00 0.21 0.00 0.00 175.17 176.96 1sfy h ALA 174 N 8.46 1.32 -0.94 5.23 0.00 -1.88 0.17 119.26 131.61 1sfy h ALA 174 Ca -0.32 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.48 1sfy h ALA 174 Cb 1.16 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1sfy h ALA 174 CO 0.63 0.49 0.61 0.77 0.00 0.00 0.00 179.25 181.74 1sfy h SER 175 N 0.72 0.96 -0.07 0.00 0.02 -1.93 -2.91 113.55 110.34 1sfy h SER 175 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1sfy h SER 175 Cb 0.24 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1sfy h SER 175 CO -0.01 0.62 0.00 -1.54 -1.14 0.00 0.00 176.83 174.77 1sfy n SER 176 N -4.48 2.21 -2.97 3.07 3.41 -1.14 -4.96 113.62 108.76 1sfy n SER 176 Ca 0.14 -1.60 -0.21 0.00 -0.26 0.00 0.00 58.87 56.94 1sfy n SER 176 Cb 0.18 -0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.10 1sfy n SER 176 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1sfy n LYS 177 N 0.70 -3.75 -3.73 4.33 5.02 0.00 -4.88 118.16 115.85 1sfy n LYS 177 Ca 0.08 0.76 -0.37 0.00 -2.02 0.00 0.00 58.31 56.77 1sfy n LYS 177 Cb 0.34 -5.52 -0.11 0.00 -0.02 0.00 0.00 35.03 29.72 1sfy n LYS 177 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1sfy s LEU 178 N -6.42 3.85 -0.36 -0.35 0.20 -0.95 -0.60 118.68 114.06 1sfy s LEU 178 Ca 0.25 -0.01 -0.07 0.00 0.69 0.00 0.00 54.13 55.00 1sfy s LEU 178 Cb -0.12 -2.03 0.06 0.00 -0.43 0.00 0.00 46.19 43.66 1sfy s LEU 178 CO 0.31 0.03 0.15 -0.22 -0.29 0.00 0.00 176.35 176.33 1sfy s LEU 179 N 1.28 4.60 -0.10 -0.68 2.96 -0.39 -1.47 118.68 124.87 1sfy s LEU 179 Ca 0.06 -1.32 0.02 0.00 -0.22 0.00 0.00 54.13 52.67 1sfy s LEU 179 Cb -0.14 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 1sfy s LEU 179 CO 0.05 -0.40 -0.16 -1.38 -1.32 0.00 0.00 176.35 173.15 1sfy s HIS 180 N 1.38 2.72 0.12 5.38 -3.43 -0.15 -2.09 115.29 119.22 1sfy s HIS 180 Ca 0.00 -0.59 0.10 0.00 -0.80 0.00 0.00 55.06 53.78 1sfy s HIS 180 Cb -0.21 -1.76 -0.04 0.00 -1.43 0.00 0.00 32.58 29.15 1sfy s HIS 180 CO 0.02 -0.15 -0.26 0.00 -2.00 0.00 0.00 174.74 172.35 1sfy s ALA 181 N 0.06 2.29 -0.01 -1.38 0.00 -0.10 -0.53 121.76 122.10 1sfy s ALA 181 Ca -0.06 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 50.49 1sfy s ALA 181 Cb -0.15 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.60 1sfy s ALA 181 CO 0.05 0.51 -0.04 0.08 0.00 0.00 0.00 175.76 176.36 1sfy s VAL 182 N -1.05 0.36 -0.09 0.00 1.01 0.10 -1.82 120.40 118.91 1sfy s VAL 182 Ca 0.13 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1sfy s VAL 182 Cb -0.10 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 35.97 1sfy s VAL 182 CO 0.05 0.11 -0.18 -0.22 0.00 0.00 0.00 175.10 174.86 1sfy s LEU 183 N -0.02 1.88 -0.05 3.92 0.20 -0.45 -1.43 118.68 122.73 1sfy s LEU 183 Ca 0.01 -0.45 0.02 0.00 0.69 0.00 0.00 54.13 54.40 1sfy s LEU 183 Cb -0.03 -1.16 0.01 0.00 -0.43 0.00 0.00 46.19 44.59 1sfy s LEU 183 CO -0.00 0.09 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.36 1sfy s VAL 184 N 0.57 0.88 -0.58 1.68 1.01 0.37 -0.97 120.40 123.37 1sfy s VAL 184 Ca -0.15 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 1sfy s VAL 184 Cb -0.17 -0.82 0.15 0.00 0.00 0.00 0.00 36.38 35.55 1sfy s VAL 184 CO 0.05 0.29 0.46 -0.31 0.00 0.00 0.00 175.10 175.59 1sfy s TYR 185 N 0.57 3.48 0.38 5.22 2.02 -0.69 -0.08 117.35 128.25 1sfy s TYR 185 Ca -0.10 -2.04 0.16 0.00 -0.37 0.00 0.00 57.07 54.72 1sfy s TYR 185 Cb -0.13 -3.52 1.05 0.00 -0.40 0.00 0.00 41.96 38.95 1sfy s TYR 185 CO 0.02 -0.96 1.76 -1.35 -1.57 0.00 0.00 175.55 173.44 1sfy h PRO 186 N 8.06 0.43 0.42 -1.71 0.11 -1.86 0.70 132.00 138.15 1sfy h PRO 186 Ca -0.11 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 1sfy h PRO 186 Cb 1.04 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1sfy h PRO 186 CO 0.82 0.29 -0.39 0.66 -0.21 0.00 0.00 178.00 179.17 1sfy h SER 187 N 0.45 -1.05 0.85 -2.05 4.64 -1.93 -3.20 113.55 111.25 1sfy h SER 187 Ca 0.61 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 62.01 1sfy h SER 187 Cb 1.43 0.35 0.00 0.00 -0.31 0.00 0.00 62.40 63.87 1sfy h SER 187 CO -0.34 -0.55 -1.00 -1.54 -0.87 0.00 0.00 176.83 172.53 1sfy n SER 188 N -5.49 0.75 0.00 4.97 3.41 -0.95 -4.95 113.62 111.35 1sfy n SER 188 Ca -0.11 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1sfy n SER 188 Cb 0.39 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 1sfy n SER 188 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sfy n GLY 189 N 1.24 0.67 3.77 5.00 0.00 0.24 -5.02 105.19 111.09 1sfy n GLY 189 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1sfy n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfy s ALA 190 N -2.34 3.52 -0.06 4.61 0.00 -1.18 -4.84 121.76 121.47 1sfy s ALA 190 Ca 0.00 1.33 0.02 0.00 0.00 0.00 0.00 51.96 53.31 1sfy s ALA 190 Cb 0.00 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.63 1sfy s ALA 190 CO 0.00 -0.74 -0.08 0.42 0.00 0.00 0.00 175.76 175.36 1sfy s ILE 191 N -1.08 0.85 0.04 0.00 1.01 -1.26 -1.71 121.20 119.05 1sfy s ILE 191 Ca 0.50 -0.30 0.06 0.00 0.00 0.00 0.00 60.65 60.91 1sfy s ILE 191 Cb -0.41 -0.82 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 1sfy s ILE 191 CO 0.55 0.30 -0.18 -0.31 0.00 0.00 0.00 174.94 175.29 1sfy s TYR 192 N 0.84 1.61 -0.04 3.97 2.02 -0.15 -5.00 117.35 120.61 1sfy s TYR 192 Ca -0.12 -0.36 -0.04 0.00 -0.37 0.00 0.00 57.07 56.18 1sfy s TYR 192 Cb -0.15 -0.96 0.01 0.00 -0.40 0.00 0.00 41.96 40.46 1sfy s TYR 192 CO 0.01 0.07 0.10 -0.08 -1.57 0.00 0.00 175.55 174.08 1sfy s THR 193 N -0.79 0.00 0.03 -0.71 -1.32 -1.26 -1.34 115.64 110.25 1sfy s THR 193 Ca 0.06 -0.04 0.02 0.00 -1.21 0.00 0.00 61.69 60.52 1sfy s THR 193 Cb -0.08 -0.16 -0.02 0.00 -1.51 0.00 0.00 72.50 70.72 1sfy s THR 193 CO 0.01 -0.02 -0.07 -0.63 -2.21 0.00 0.00 174.62 171.71 1sfy s ILE 194 N -0.02 0.47 -0.01 5.08 1.09 -0.76 -5.01 121.20 122.04 1sfy s ILE 194 Ca -0.01 -0.91 -0.17 0.00 -1.10 0.00 0.00 60.65 58.46 1sfy s ILE 194 Cb -0.01 -0.52 0.03 0.00 -1.06 0.00 0.00 42.46 40.90 1sfy s ILE 194 CO 0.00 -0.31 0.37 0.00 -0.10 0.00 0.00 174.94 174.90 1sfy s ALA 195 N -1.17 -0.94 -0.04 9.38 0.00 -1.26 -0.92 121.76 126.81 1sfy s ALA 195 Ca -0.09 0.45 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 1sfy s ALA 195 Cb -0.09 0.10 0.11 0.00 0.00 0.00 0.00 23.12 23.24 1sfy s ALA 195 CO 0.00 -0.30 0.93 -2.00 0.00 0.00 0.00 175.76 174.40 1sfy s GLU 196 N -1.44 0.74 -0.04 0.00 2.56 -0.89 -5.01 118.70 114.62 1sfy s GLU 196 Ca -0.12 -0.22 -0.25 0.00 0.00 0.00 0.00 54.97 54.37 1sfy s GLU 196 Cb -0.04 0.34 -0.04 0.00 2.00 0.00 0.00 34.13 36.40 1sfy s GLU 196 CO 0.04 -0.31 0.78 0.42 -0.56 0.00 0.00 175.26 175.63 1sfy s ILE 197 N -2.79 4.97 -0.05 -3.70 -1.09 -1.26 -1.26 121.20 116.02 1sfy s ILE 197 Ca 0.05 1.63 -0.02 0.00 -2.23 0.00 0.00 60.65 60.07 1sfy s ILE 197 Cb -0.01 -4.12 0.03 0.00 -1.58 0.00 0.00 42.46 36.78 1sfy s ILE 197 CO -0.07 0.24 0.08 -0.69 -1.23 0.00 0.00 174.94 173.27 1sfy s VAL 198 N 0.77 -0.14 -0.74 2.92 1.01 0.24 -4.96 120.40 119.50 1sfy s VAL 198 Ca 0.41 0.41 -0.20 0.00 0.00 0.00 0.00 61.98 62.61 1sfy s VAL 198 Cb -0.19 -0.18 0.11 0.00 0.00 0.00 0.00 36.38 36.12 1sfy s VAL 198 CO 0.21 0.17 0.95 -0.62 0.00 0.00 0.00 175.10 175.81 1sfy s ASP 199 N 2.18 6.36 0.42 3.32 -1.08 -1.26 -4.59 116.67 122.02 1sfy s ASP 199 Ca 0.04 -1.54 0.12 0.00 -0.52 0.00 0.00 52.55 50.65 1sfy s ASP 199 Cb -0.12 -2.37 0.96 0.00 -1.46 0.00 0.00 42.92 39.93 1sfy s ASP 199 CO -0.04 -1.19 1.99 0.58 0.52 0.00 0.00 175.17 177.03 1sfy h VAL 200 N 5.86 0.95 -0.37 1.11 2.07 -1.97 -1.24 116.25 122.66 1sfy h VAL 200 Ca -0.12 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1sfy h VAL 200 Cb 1.06 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1sfy h VAL 200 CO 1.12 0.09 0.16 0.50 0.02 0.00 0.00 177.57 179.46 1sfy h LYS 201 N 0.48 0.51 0.00 1.57 3.64 -1.90 -0.51 116.57 120.36 1sfy h LYS 201 Ca 0.26 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1sfy h LYS 201 Cb 0.39 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1sfy h LYS 201 CO -0.07 0.41 -0.64 1.96 -2.27 0.00 0.00 179.45 178.83 1sfy h GLN 202 N 0.51 0.00 0.00 1.90 1.08 -1.65 -3.41 115.11 113.54 1sfy h GLN 202 Ca 0.13 0.00 -0.40 0.00 -1.45 0.00 0.00 58.65 56.93 1sfy h GLN 202 Cb 0.08 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.44 1sfy h GLN 202 CO -0.02 0.00 -2.35 0.28 -0.95 0.00 0.00 178.83 175.79 1sfy n VAL 203 N -2.42 1.34 -4.01 -0.54 0.31 -0.90 -5.05 118.33 107.05 1sfy n VAL 203 Ca 0.02 -0.38 -0.21 0.00 -0.01 0.00 0.00 64.34 63.76 1sfy n VAL 203 Cb 0.49 -1.72 -0.03 0.00 -0.91 0.00 0.00 33.84 31.67 1sfy n VAL 203 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1sfy s LEU 204 N -7.11 4.13 0.74 7.52 1.43 -0.25 -4.26 118.68 120.89 1sfy s LEU 204 Ca -0.33 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 1sfy s LEU 204 Cb 0.12 -2.67 0.04 0.00 0.03 0.00 0.00 46.19 43.70 1sfy s LEU 204 CO 0.45 -0.07 1.12 -2.16 0.23 0.00 0.00 176.35 175.92 1sfy s PRO 205 N -3.94 2.54 0.35 1.29 0.04 -1.26 -4.75 135.00 129.27 1sfy s PRO 205 Ca 0.34 0.38 0.07 0.00 0.04 0.00 0.00 61.00 61.83 1sfy s PRO 205 Cb -0.09 -1.99 0.75 0.00 0.04 0.00 0.00 34.50 33.21 1sfy s PRO 205 CO 0.28 -1.24 1.90 0.93 0.04 0.00 0.00 177.00 178.90 1sfy h GLU 206 N -0.81 0.74 -6.16 4.56 5.08 -1.96 -3.41 114.58 112.62 1sfy h GLU 206 Ca -0.45 -0.04 -0.69 0.00 -1.00 0.00 0.00 59.36 57.17 1sfy h GLU 206 Cb 1.28 -0.17 -0.26 0.00 0.50 0.00 0.00 28.75 30.10 1sfy h GLU 206 CO 0.64 0.49 -0.81 -1.58 -1.00 0.00 0.00 179.01 176.75 1sfy s TRP 207 N -5.71 2.62 0.16 4.33 0.52 -1.26 -1.09 118.94 118.51 1sfy s TRP 207 Ca -0.10 -0.37 -0.00 0.00 0.02 0.00 0.00 56.10 55.65 1sfy s TRP 207 Cb 0.21 -1.64 -0.04 0.00 -1.15 0.00 0.00 33.47 30.85 1sfy s TRP 207 CO 0.79 0.03 0.06 0.14 0.02 0.00 0.00 176.95 177.98 1sfy s VAL 208 N -0.46 0.24 -0.10 4.03 -7.23 -0.58 -4.36 120.40 111.94 1sfy s VAL 208 Ca 0.05 -1.94 -0.02 0.00 -1.81 0.00 0.00 61.98 58.26 1sfy s VAL 208 Cb -0.12 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 1sfy s VAL 208 CO 0.02 -0.38 -0.01 -1.81 -0.31 0.00 0.00 175.10 172.60 1sfy s ASP 209 N -3.11 5.11 -0.06 4.85 1.01 -0.46 -0.77 116.67 123.25 1sfy s ASP 209 Ca 0.27 0.07 0.01 0.00 0.71 0.00 0.00 52.55 53.60 1sfy s ASP 209 Cb 0.07 -1.53 -0.03 0.00 1.01 0.00 0.00 42.92 42.44 1sfy s ASP 209 CO 0.04 0.32 -0.05 0.68 0.21 0.00 0.00 175.17 176.37 1sfy s VAL 210 N -0.54 3.82 0.27 -1.27 -7.23 -1.26 -2.50 120.40 111.70 1sfy s VAL 210 Ca 0.09 -0.49 -0.18 0.00 -1.81 0.00 0.00 61.98 59.59 1sfy s VAL 210 Cb -0.12 -2.59 0.07 0.00 0.56 0.00 0.00 36.38 34.29 1sfy s VAL 210 CO 0.02 0.56 0.88 0.61 -0.31 0.00 0.00 175.10 176.86 1sfy n GLY 211 N 2.06 0.81 3.26 2.32 0.00 -0.67 -1.69 105.19 111.28 1sfy n GLY 211 Ca -0.17 -1.19 -0.25 0.00 0.00 0.00 0.00 46.02 44.40 1sfy n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sfy s LEU 212 N 0.00 2.21 -0.02 0.99 1.43 -0.05 -1.21 118.68 122.03 1sfy s LEU 212 Ca 0.19 -0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 1sfy s LEU 212 Cb -0.04 -0.94 0.01 0.00 0.03 0.00 0.00 46.19 45.25 1sfy s LEU 212 CO 0.08 0.12 0.15 -0.55 0.23 0.00 0.00 176.35 176.38 1sfy s SER 213 N -1.42 -0.05 0.06 2.29 0.15 -0.47 -0.97 113.70 113.29 1sfy s SER 213 Ca 0.07 -0.00 -0.04 0.00 0.70 0.00 0.00 55.95 56.68 1sfy s SER 213 Cb -0.09 0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 64.45 1sfy s SER 213 CO 0.03 -0.25 0.05 -0.83 1.20 0.00 0.00 173.24 173.43 1sfy s GLY 214 N -0.83 0.31 -0.15 9.45 0.00 -0.42 -0.41 107.32 115.27 1sfy s GLY 214 Ca -0.09 -0.92 -0.25 0.00 0.00 0.00 0.00 44.72 43.47 1sfy s GLY 214 CO 0.01 -1.05 0.62 0.00 0.00 0.00 0.00 173.10 172.68 1sfy s ALA 215 N -3.58 -1.57 0.38 3.20 0.00 -0.83 -2.17 121.76 117.18 1sfy s ALA 215 Ca 0.03 1.48 0.08 0.00 0.00 0.00 0.00 51.96 53.55 1sfy s ALA 215 Cb 0.05 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1sfy s ALA 215 CO -0.09 -0.32 0.35 0.95 0.00 0.00 0.00 175.76 176.64 1sfy s THR 216 N -0.39 3.11 1.11 0.00 -4.23 -0.04 0.97 115.64 116.17 1sfy s THR 216 Ca -0.05 -1.34 -0.16 0.00 -1.18 0.00 0.00 61.69 58.96 1sfy s THR 216 Cb -0.03 -3.09 0.15 0.00 1.34 0.00 0.00 72.50 70.87 1sfy s THR 216 CO 0.05 -0.09 0.37 0.61 -0.54 0.00 0.00 174.62 175.02 1sfy n GLY 217 N -1.48 -2.25 0.29 3.99 0.00 0.17 -4.03 105.19 101.88 1sfy n GLY 217 Ca 0.01 -0.89 0.13 0.00 0.00 0.00 0.00 46.02 45.27 1sfy n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfy n ALA 218 N -4.50 3.02 -2.64 4.61 0.00 -1.26 -0.23 120.51 119.51 1sfy n ALA 218 Ca 0.02 -0.42 -0.15 0.00 0.00 0.00 0.00 53.44 52.90 1sfy n ALA 218 Cb 0.59 -1.12 -0.11 0.00 0.00 0.00 0.00 19.45 18.80 1sfy n ALA 218 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1sfy s GLN 219 N -2.43 0.73 0.06 0.00 -2.07 -1.26 -4.92 119.66 109.77 1sfy s GLN 219 Ca 0.26 -0.99 -0.30 0.00 -1.82 0.00 0.00 55.36 52.52 1sfy s GLN 219 Cb 0.19 -0.50 -0.16 0.00 -1.09 0.00 0.00 33.01 31.46 1sfy s GLN 219 CO 0.50 0.09 0.72 -2.13 -1.32 0.00 0.00 175.29 173.15 1sfy n ARG 220 N 0.99 0.00 -0.87 9.60 0.63 -1.26 -1.23 116.66 124.52 1sfy n ARG 220 Ca -0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 1sfy n ARG 220 Cb 0.56 -1.09 0.00 0.00 0.45 0.00 0.00 32.46 32.38 1sfy n ARG 220 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1sfy n ASP 221 N 1.39 -5.06 -3.61 6.15 8.00 -1.26 -4.63 116.55 117.53 1sfy n ASP 221 Ca 0.16 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.25 1sfy n ASP 221 Cb 0.12 -3.13 -0.01 0.00 -0.02 0.00 0.00 41.12 38.08 1sfy n ASP 221 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sfy n ALA 222 N 0.90 6.30 -2.29 2.24 0.00 -0.37 -4.37 120.51 122.93 1sfy n ALA 222 Ca 0.00 -4.01 -0.17 0.00 0.00 0.00 0.00 53.44 49.25 1sfy n ALA 222 Cb 0.42 -3.09 -0.09 0.00 0.00 0.00 0.00 19.45 16.69 1sfy n ALA 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sfy s ALA 223 N 0.71 1.74 0.15 0.00 0.00 -1.26 0.42 121.76 123.52 1sfy s ALA 223 Ca 0.51 -1.81 -0.25 0.00 0.00 0.00 0.00 51.96 50.41 1sfy s ALA 223 Cb 0.15 1.28 0.07 0.00 0.00 0.00 0.00 23.12 24.62 1sfy s ALA 223 CO -0.06 -0.56 0.99 -1.83 0.00 0.00 0.00 175.76 174.30 1sfy s GLU 224 N -3.82 1.17 0.43 0.00 -1.05 -1.24 -4.41 118.70 109.77 1sfy s GLU 224 Ca 0.38 -0.67 -0.01 0.00 -0.15 0.00 0.00 54.97 54.52 1sfy s GLU 224 Cb 0.05 0.39 -0.02 0.00 -0.44 0.00 0.00 34.13 34.11 1sfy s GLU 224 CO 0.18 -0.54 0.66 0.95 0.95 0.00 0.00 175.26 177.47 1sfy s THR 225 N -3.08 4.49 -0.42 1.83 -4.23 -0.46 -4.79 115.64 108.97 1sfy s THR 225 Ca 0.14 -0.35 0.06 0.00 -1.18 0.00 0.00 61.69 60.37 1sfy s THR 225 Cb -0.01 -3.67 0.22 0.00 1.34 0.00 0.00 72.50 70.38 1sfy s THR 225 CO 0.02 -0.50 0.54 1.41 -0.54 0.00 0.00 174.62 175.55 1sfy n HIS 226 N -2.04 -1.24 -3.64 3.99 -0.00 -1.26 -3.84 115.22 107.19 1sfy n HIS 226 Ca -0.01 -3.05 -0.37 0.00 -0.00 0.00 0.00 57.72 54.29 1sfy n HIS 226 Cb 0.57 0.25 -0.06 0.00 -0.00 0.00 0.00 29.99 30.75 1sfy n HIS 226 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1sfy s ASP 227 N -0.72 6.58 -0.10 0.41 1.01 -0.99 -1.72 116.67 121.14 1sfy s ASP 227 Ca 0.34 0.69 0.04 0.00 0.71 0.00 0.00 52.55 54.32 1sfy s ASP 227 Cb 0.13 -2.17 -0.00 0.00 1.01 0.00 0.00 42.92 41.88 1sfy s ASP 227 CO -0.15 0.30 -0.22 -0.69 0.21 0.00 0.00 175.17 174.62 1sfy s VAL 228 N -0.69 2.22 -0.13 -1.27 1.01 0.14 -1.42 120.40 120.26 1sfy s VAL 228 Ca 0.19 -0.97 0.18 0.00 0.00 0.00 0.00 61.98 61.38 1sfy s VAL 228 Cb -0.14 -1.85 -0.26 0.00 0.00 0.00 0.00 36.38 34.12 1sfy s VAL 228 CO 0.08 0.56 0.20 -1.22 0.00 0.00 0.00 175.10 174.72 1sfy n TYR 229 N 3.47 0.00 -3.50 5.22 4.01 0.14 -1.32 117.16 125.18 1sfy n TYR 229 Ca -0.19 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.44 1sfy n TYR 229 Cb 0.53 -0.75 -0.03 0.00 -0.31 0.00 0.00 39.34 38.78 1sfy n TYR 229 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1sfy s SER 230 N -4.93 -0.45 -0.29 7.72 1.04 -1.24 -3.88 113.70 111.67 1sfy s SER 230 Ca -0.09 -0.11 -0.15 0.00 0.48 0.00 0.00 55.95 56.09 1sfy s SER 230 Cb 0.08 0.55 0.12 0.00 0.10 0.00 0.00 66.02 66.88 1sfy s SER 230 CO 0.79 -0.92 0.81 0.86 0.98 0.00 0.00 173.24 175.76 1sfy s TRP 231 N -3.73 -0.91 0.11 5.02 -0.00 -0.81 -2.44 118.94 116.16 1sfy s TRP 231 Ca 0.02 1.73 0.04 0.00 -0.00 0.00 0.00 56.10 57.89 1sfy s TRP 231 Cb 0.00 0.55 -0.04 0.00 -0.00 0.00 0.00 33.47 33.98 1sfy s TRP 231 CO -0.12 -0.45 -0.11 -1.54 -0.00 0.00 0.00 176.95 174.72 1sfy s SER 232 N 1.92 1.64 -0.09 5.86 1.04 0.14 -0.75 113.70 123.46 1sfy s SER 232 Ca -0.08 -0.82 -0.13 0.00 0.48 0.00 0.00 55.95 55.40 1sfy s SER 232 Cb -0.06 -0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.07 1sfy s SER 232 CO -0.18 -0.22 0.35 0.12 0.98 0.00 0.00 173.24 174.29 1sfy s PHE 233 N -2.35 -0.33 -0.03 5.02 5.36 -0.05 -1.25 117.98 124.33 1sfy s PHE 233 Ca 0.07 0.74 -0.06 0.00 -0.96 0.00 0.00 56.93 56.72 1sfy s PHE 233 Cb -0.03 0.13 0.01 0.00 -0.34 0.00 0.00 43.02 42.78 1sfy s PHE 233 CO 0.01 -0.26 0.15 1.14 -1.46 0.00 0.00 175.22 174.80 1sfy s GLN 234 N -0.31 0.31 -0.14 10.12 1.03 -0.31 -1.56 119.66 128.80 1sfy s GLN 234 Ca -0.04 -0.04 -0.12 0.00 0.04 0.00 0.00 55.36 55.20 1sfy s GLN 234 Cb -0.03 0.14 0.04 0.00 0.03 0.00 0.00 33.01 33.18 1sfy s GLN 234 CO 0.02 -0.06 0.36 0.00 -2.54 0.00 0.00 175.29 173.07 1sfy s ALA 235 N -0.53 -0.90 -0.08 2.60 0.00 -0.47 -1.49 121.76 120.89 1sfy s ALA 235 Ca -0.06 1.08 0.01 0.00 0.00 0.00 0.00 51.96 52.98 1sfy s ALA 235 Cb -0.04 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.47 1sfy s ALA 235 CO 0.01 -0.18 -0.08 -1.12 0.00 0.00 0.00 175.76 174.39 1sfy s SER 236 N 0.37 1.81 -0.51 0.00 0.01 -0.55 -1.66 113.70 113.17 1sfy s SER 236 Ca -0.01 -0.26 -0.03 0.00 1.31 0.00 0.00 55.95 56.96 1sfy s SER 236 Cb -0.04 -0.74 0.13 0.00 0.21 0.00 0.00 66.02 65.59 1sfy s SER 236 CO -0.01 -0.07 0.31 -0.22 0.41 0.00 0.00 173.24 173.66 1sfy s LEU 237 N 1.28 5.23 1.26 2.44 0.20 -1.01 -1.79 118.68 126.28 1sfy s LEU 237 Ca -0.04 -2.43 -0.19 0.00 0.69 0.00 0.00 54.13 52.16 1sfy s LEU 237 Cb -0.14 -1.84 0.28 0.00 -0.43 0.00 0.00 46.19 44.07 1sfy s LEU 237 CO -0.03 -0.46 0.64 -0.81 -0.29 0.00 0.00 176.35 175.41 1sfy n PRO 238 N 4.05 -3.46 -0.46 0.98 -0.04 -1.26 -3.11 135.00 131.70 1sfy n PRO 238 Ca 0.02 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 1sfy n PRO 238 Cb 0.39 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 1sfy n PRO 238 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85