#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 3.89 0.31 5.55 -1.05 -0.55 -4.88 118.70 121.97 1sfy s GLU 2 Ca 0.00 0.08 0.06 0.00 -0.15 0.00 0.00 54.97 54.97 1sfy s GLU 2 Cb 0.00 -3.29 -0.06 0.00 -0.44 0.00 0.00 34.13 30.34 1sfy s GLU 2 CO 0.00 0.55 -0.03 0.99 0.95 0.00 0.00 175.26 177.72 1sfy s THR 3 N -0.46 1.68 -0.12 1.83 2.01 -1.26 -1.62 115.64 117.69 1sfy s THR 3 Ca 0.17 -2.09 -0.21 0.00 0.31 0.00 0.00 61.69 59.87 1sfy s THR 3 Cb -0.14 -2.62 0.05 0.00 0.01 0.00 0.00 72.50 69.81 1sfy s THR 3 CO 0.06 -0.19 0.53 -0.51 -0.69 0.00 0.00 174.62 173.83 1sfy s ILE 4 N -2.98 0.01 -0.25 1.82 2.07 -1.12 -5.01 121.20 115.75 1sfy s ILE 4 Ca 0.32 -0.11 -0.27 0.00 -1.41 0.00 0.00 60.65 59.18 1sfy s ILE 4 Cb 0.05 -0.80 0.14 0.00 0.13 0.00 0.00 42.46 41.98 1sfy s ILE 4 CO 0.14 -0.06 1.09 -0.94 -1.91 0.00 0.00 174.94 173.26 1sfy s SER 5 N -0.49 -0.35 0.08 4.50 1.04 -1.26 -1.95 113.70 115.28 1sfy s SER 5 Ca -0.06 0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.95 1sfy s SER 5 Cb -0.03 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1sfy s SER 5 CO 0.04 -0.19 -0.03 0.72 0.98 0.00 0.00 173.24 174.76 1sfy s PHE 6 N -0.28 0.74 -0.28 5.02 -0.12 -0.87 -4.99 117.98 117.20 1sfy s PHE 6 Ca 0.02 -1.02 -0.02 0.00 -0.05 0.00 0.00 56.93 55.86 1sfy s PHE 6 Cb -0.03 -0.47 0.17 0.00 -0.63 0.00 0.00 43.02 42.06 1sfy s PHE 6 CO -0.05 -0.30 0.54 0.45 -0.05 0.00 0.00 175.22 175.81 1sfy s SER 7 N -2.99 -0.92 -0.32 1.98 0.15 -1.26 -1.45 113.70 108.88 1sfy s SER 7 Ca 0.12 0.73 -0.08 0.00 0.70 0.00 0.00 55.95 57.42 1sfy s SER 7 Cb 0.07 1.88 0.02 0.00 -1.71 0.00 0.00 66.02 66.27 1sfy s SER 7 CO -0.06 -0.27 0.12 -0.36 1.20 0.00 0.00 173.24 173.87 1sfy s PHE 8 N 2.77 3.19 0.28 3.44 0.08 -0.11 -4.91 117.98 122.73 1sfy s PHE 8 Ca 0.17 -1.02 0.11 0.00 0.12 0.00 0.00 56.93 56.31 1sfy s PHE 8 Cb -0.15 -2.31 0.44 0.00 -0.57 0.00 0.00 43.02 40.43 1sfy s PHE 8 CO -0.19 -0.61 1.66 0.77 -0.10 0.00 0.00 175.22 176.75 1sfy h SER 9 N 8.28 0.00 -5.05 1.36 0.02 -1.87 -2.19 113.55 114.10 1sfy h SER 9 Ca -0.28 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.70 1sfy h SER 9 Cb 1.11 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.59 1sfy h SER 9 CO 0.62 0.56 0.15 -1.83 -1.14 0.00 0.00 176.83 175.18 1sfy s GLU 10 N -3.71 1.69 -0.05 3.45 -1.05 -1.26 -4.49 118.70 113.28 1sfy s GLU 10 Ca -0.01 -1.01 -0.03 0.00 -0.15 0.00 0.00 54.97 53.76 1sfy s GLU 10 Cb 0.13 0.58 -0.04 0.00 -0.44 0.00 0.00 34.13 34.36 1sfy s GLU 10 CO 0.75 -0.76 0.11 -0.06 0.95 0.00 0.00 175.26 176.25 1sfy s PHE 11 N -3.93 3.42 -0.18 4.83 0.08 -0.26 -4.99 117.98 116.95 1sfy s PHE 11 Ca 0.13 0.34 -0.01 0.00 0.12 0.00 0.00 56.93 57.50 1sfy s PHE 11 Cb -0.04 -1.83 -0.00 0.00 -0.57 0.00 0.00 43.02 40.58 1sfy s PHE 11 CO 0.06 0.62 -0.12 -2.00 -0.10 0.00 0.00 175.22 173.68 1sfy s GLU 12 N -1.45 3.26 0.42 0.44 2.12 -1.26 -4.02 118.70 118.21 1sfy s GLU 12 Ca 0.20 -0.71 -0.26 0.00 0.36 0.00 0.00 54.97 54.56 1sfy s GLU 12 Cb -0.12 -2.75 -0.10 0.00 0.26 0.00 0.00 34.13 31.42 1sfy s GLU 12 CO 0.10 -0.07 1.39 -2.30 -0.54 0.00 0.00 175.26 173.84 1sfy n PRO 13 N 4.33 2.25 -0.99 4.30 -0.02 -1.26 -2.32 135.00 141.29 1sfy n PRO 13 Ca -0.19 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1sfy n PRO 13 Cb 0.51 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 0.63 0.55 3.73 -1.23 0.00 -1.26 -5.00 105.19 102.62 1sfy n GLY 14 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 6.76 0.23 1.61 3.84 -0.98 -4.93 114.94 119.28 1sfy s ASN 15 Ca 0.00 2.50 0.08 0.00 0.21 0.00 0.00 52.86 55.65 1sfy s ASN 15 Cb 0.00 -2.61 0.19 0.00 -0.55 0.00 0.00 41.25 38.28 1sfy s ASN 15 CO 0.00 -0.66 1.51 0.44 -2.79 0.00 0.00 177.10 175.61 1sfy h ASP 16 N 5.80 0.06 0.00 -4.21 3.32 -1.94 -3.25 116.42 116.20 1sfy h ASP 16 Ca -0.44 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1sfy h ASP 16 Cb 1.21 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1sfy h ASP 16 CO 0.82 0.76 0.00 0.59 -1.72 0.00 0.00 179.24 179.69 1sfy n ASN 17 N -3.71 0.00 -4.13 6.45 5.03 -1.26 -4.71 115.26 112.93 1sfy n ASN 17 Ca -0.01 -1.07 -0.30 0.00 0.87 0.00 0.00 54.58 54.07 1sfy n ASN 17 Cb 0.70 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 39.30 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 -1.62 1.91 -0.28 3.41 1.02 -1.23 0.11 118.68 122.00 1sfy s LEU 18 Ca 0.23 -0.48 -0.08 0.00 0.02 0.00 0.00 54.13 53.82 1sfy s LEU 18 Cb 0.11 -1.21 -0.01 0.00 0.02 0.00 0.00 46.19 45.10 1sfy s LEU 18 CO 0.18 0.09 0.11 -0.89 0.02 0.00 0.00 176.35 175.85 1sfy s THR 19 N 0.62 4.35 -0.14 5.49 2.01 0.66 -4.86 115.64 123.77 1sfy s THR 19 Ca -0.14 -0.39 -0.13 0.00 0.31 0.00 0.00 61.69 61.34 1sfy s THR 19 Cb -0.16 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 1sfy s THR 19 CO 0.04 0.17 0.29 -0.76 -0.69 0.00 0.00 174.62 173.67 1sfy s LEU 20 N 1.59 4.28 0.14 4.42 1.02 -1.26 -0.91 118.68 127.96 1sfy s LEU 20 Ca 0.05 0.55 0.07 0.00 0.02 0.00 0.00 54.13 54.82 1sfy s LEU 20 Cb -0.16 -2.36 -0.04 0.00 0.02 0.00 0.00 46.19 43.65 1sfy s LEU 20 CO 0.04 0.16 -0.17 -1.10 0.02 0.00 0.00 176.35 175.31 1sfy s GLN 21 N 0.13 1.16 5.48 1.70 -0.21 0.27 -4.99 119.66 123.19 1sfy s GLN 21 Ca 0.17 -1.31 0.00 0.00 0.02 0.00 0.00 55.36 54.24 1sfy s GLN 21 Cb -0.13 -1.16 0.00 0.00 1.00 0.00 0.00 33.01 32.72 1sfy s GLN 21 CO 0.05 0.24 0.00 0.41 -2.12 0.00 0.00 175.29 173.86 1sfy n GLY 22 N 0.48 2.48 0.21 3.09 0.00 -1.26 -1.73 105.19 108.46 1sfy n GLY 22 Ca -0.15 -0.43 0.15 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.97 1.00 -0.96 4.61 0.00 -1.12 -3.47 119.26 118.36 1sfy h ALA 23 Ca 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.19 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 -0.13 0.43 0.00 0.00 0.00 179.25 179.55 1sfy n SER 24 N -2.69 -0.41 -3.64 0.00 7.64 -1.04 -4.64 113.62 108.86 1sfy n SER 24 Ca 0.01 1.10 -0.15 0.00 1.01 0.00 0.00 58.87 60.85 1sfy n SER 24 Cb 0.27 -0.89 -0.08 0.00 -1.01 0.00 0.00 64.21 62.51 1sfy n SER 24 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1sfy s LEU 25 N 0.96 -0.13 -0.19 -3.43 0.20 -0.52 -4.70 118.68 110.88 1sfy s LEU 25 Ca 0.79 0.75 -0.04 0.00 0.69 0.00 0.00 54.13 56.31 1sfy s LEU 25 Cb -1.11 2.02 -0.02 0.00 -0.43 0.00 0.00 46.19 46.66 1sfy s LEU 25 CO 0.54 -0.41 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.53 1sfy s ILE 26 N -0.64 3.65 0.67 6.68 1.01 -1.26 0.17 121.20 131.48 1sfy s ILE 26 Ca -0.07 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 1sfy s ILE 26 Cb -0.03 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 1sfy s ILE 26 CO 0.05 0.45 1.06 0.42 0.00 0.00 0.00 174.94 176.92 1sfy s THR 27 N 0.96 4.08 0.23 2.92 -4.23 -0.19 -4.79 115.64 114.62 1sfy s THR 27 Ca 0.00 0.67 0.31 0.00 -1.18 0.00 0.00 61.69 61.50 1sfy s THR 27 Cb -0.15 -3.65 0.34 0.00 1.34 0.00 0.00 72.50 70.39 1sfy s THR 27 CO 0.01 -0.88 2.00 1.56 -0.54 0.00 0.00 174.62 176.77 1sfy h GLN 28 N -0.51 0.00 0.00 3.99 1.08 -1.94 -1.80 115.11 115.93 1sfy h GLN 28 Ca -0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 1sfy h GLN 28 Cb 1.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 1sfy h GLN 28 CO 0.63 0.08 0.00 -1.13 -0.95 0.00 0.00 178.83 177.45 1sfy n SER 29 N -3.26 0.00 0.00 1.46 3.41 -1.26 -4.89 113.62 109.08 1sfy n SER 29 Ca -0.00 -0.88 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 1sfy n SER 29 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.73 3.65 5.00 0.00 -0.68 -4.95 105.19 109.70 1sfy n GLY 30 Ca 0.21 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1sfy n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sfy s VAL 31 N -2.00 3.98 -0.37 1.61 0.11 -1.26 -1.10 120.40 121.38 1sfy s VAL 31 Ca 0.00 -0.60 -0.18 0.00 -2.93 0.00 0.00 61.98 58.26 1sfy s VAL 31 Cb 0.00 -2.74 0.00 0.00 -1.53 0.00 0.00 36.38 32.11 1sfy s VAL 31 CO 0.00 0.42 0.51 -0.22 -3.33 0.00 0.00 175.10 172.48 1sfy s LEU 32 N -1.38 4.45 -0.51 2.54 2.96 -0.42 -1.02 118.68 125.30 1sfy s LEU 32 Ca 0.18 -0.18 -0.16 0.00 -0.22 0.00 0.00 54.13 53.74 1sfy s LEU 32 Cb -0.11 -2.56 0.10 0.00 0.50 0.00 0.00 46.19 44.12 1sfy s LEU 32 CO 0.08 -0.53 0.45 -1.10 -1.32 0.00 0.00 176.35 173.93 1sfy s GLN 33 N 2.38 2.99 0.14 1.98 -0.21 0.13 -0.71 119.66 126.36 1sfy s GLN 33 Ca 0.18 -1.52 -0.15 0.00 0.02 0.00 0.00 55.36 53.88 1sfy s GLN 33 Cb -0.16 -4.21 0.01 0.00 1.00 0.00 0.00 33.01 29.65 1sfy s GLN 33 CO 0.14 -1.17 1.69 -0.07 -2.12 0.00 0.00 175.29 173.76 1sfy h LEU 34 N 8.83 0.58 -9.48 2.90 3.38 -1.64 -1.37 115.31 118.51 1sfy h LEU 34 Ca -0.29 -0.16 -0.61 0.00 0.09 0.00 0.00 57.88 56.91 1sfy h LEU 34 Cb 1.11 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 41.59 1sfy h LEU 34 CO 0.96 0.58 -0.66 0.42 0.09 0.00 0.00 178.44 179.82 1sfy s THR 35 N -5.58 3.69 0.38 0.22 -4.23 -1.26 -2.48 115.64 106.37 1sfy s THR 35 Ca -0.13 -1.41 -0.28 0.00 -1.18 0.00 0.00 61.69 58.69 1sfy s THR 35 Cb 0.11 -2.85 -0.11 0.00 1.34 0.00 0.00 72.50 70.99 1sfy s THR 35 CO 0.76 -0.09 1.50 1.17 -0.54 0.00 0.00 174.62 177.41 1sfy n LYS 36 N -0.06 2.70 -4.52 3.99 4.81 -1.26 -4.80 118.16 119.01 1sfy n LYS 36 Ca -0.10 0.95 -0.31 0.00 -0.87 0.00 0.00 58.31 57.97 1sfy n LYS 36 Cb 0.55 -2.68 -0.16 0.00 0.02 0.00 0.00 35.03 32.75 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 -1.09 1.89 1.22 3.15 1.01 -1.26 -1.67 121.20 124.43 1sfy s ILE 37 Ca 0.53 -0.87 -0.19 0.00 0.00 0.00 0.00 60.65 60.13 1sfy s ILE 37 Cb -0.47 -1.69 0.29 0.00 0.01 0.00 0.00 42.46 40.60 1sfy s ILE 37 CO 0.64 0.52 1.07 0.20 0.00 0.00 0.00 174.94 177.37 1sfy s ASN 38 N 0.95 0.77 0.48 3.58 0.01 -0.29 -4.87 114.94 115.58 1sfy s ASN 38 Ca -0.05 0.77 0.25 0.00 -0.71 0.00 0.00 52.86 53.13 1sfy s ASN 38 Cb -0.15 -1.11 1.22 0.00 0.41 0.00 0.00 41.25 41.62 1sfy s ASN 38 CO -0.03 -4.23 1.97 1.56 -1.51 0.00 0.00 177.10 174.86 1sfy h GLN 39 N -2.65 0.00 -0.45 -0.60 1.08 -2.01 -0.99 115.11 109.50 1sfy h GLN 39 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1sfy h GLN 39 Cb 1.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 1sfy h GLN 39 CO 0.37 0.17 0.00 0.27 -0.95 0.00 0.00 178.83 178.69 1sfy n ASN 40 N -3.57 1.96 0.00 1.46 6.94 -1.26 -4.89 115.26 115.91 1sfy n ASN 40 Ca -0.01 -2.11 0.00 0.00 -0.02 0.00 0.00 54.58 52.44 1sfy n ASN 40 Cb 0.32 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 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 0.77 0.59 3.86 4.83 0.00 -0.37 -5.01 105.19 109.85 1sfy n GLY 41 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.41 3.25 0.23 1.61 -1.94 -1.26 -4.75 119.30 116.03 1sfy s MET 42 Ca 0.00 -0.48 -0.32 0.00 -1.71 0.00 0.00 55.69 53.18 1sfy s MET 42 Cb 0.00 -2.95 -0.13 0.00 2.01 0.00 0.00 34.83 33.76 1sfy s MET 42 CO 0.00 0.62 1.52 -0.35 -0.01 0.00 0.00 175.02 176.80 1sfy n PRO 43 N 0.61 2.29 -3.46 2.03 -0.04 -1.26 -1.13 135.00 134.03 1sfy n PRO 43 Ca -0.08 0.82 -0.34 0.00 -0.04 0.00 0.00 63.50 63.85 1sfy n PRO 43 Cb 0.52 -2.55 -0.05 0.00 -0.04 0.00 0.00 33.50 31.37 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 0.30 3.64 0.70 0.55 0.00 -0.67 -4.77 121.76 121.51 1sfy s ALA 44 Ca 0.70 -0.27 -0.04 0.00 0.00 0.00 0.00 51.96 52.35 1sfy s ALA 44 Cb -0.61 -2.39 0.09 0.00 0.00 0.00 0.00 23.12 20.21 1sfy s ALA 44 CO 0.45 0.52 0.98 1.67 0.00 0.00 0.00 175.76 179.38 1sfy s TRP 45 N -1.51 2.42 -1.31 0.00 1.48 -1.26 -4.42 118.94 114.33 1sfy s TRP 45 Ca 0.38 0.13 -0.01 0.00 -1.06 0.00 0.00 56.10 55.54 1sfy s TRP 45 Cb -0.14 -3.13 -0.00 0.00 -1.16 0.00 0.00 33.47 29.04 1sfy s TRP 45 CO 0.19 -1.49 0.65 -3.47 -4.06 0.00 0.00 176.95 168.78 1sfy n ASP 46 N -2.84 -1.32 -4.15 -2.66 2.03 0.13 -4.93 116.55 102.80 1sfy n ASP 46 Ca 0.11 -0.87 -0.21 0.00 0.52 0.00 0.00 54.79 54.33 1sfy n ASP 46 Cb 0.60 -3.84 -0.14 0.00 -0.72 0.00 0.00 41.12 37.03 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 -4.30 1.79 -0.05 1.67 0.15 -1.26 -4.97 113.70 106.74 1sfy s SER 47 Ca 0.04 -0.43 -0.03 0.00 0.70 0.00 0.00 55.95 56.23 1sfy s SER 47 Cb -0.01 -0.14 0.02 0.00 -1.71 0.00 0.00 66.02 64.18 1sfy s SER 47 CO 0.83 0.08 0.12 -0.89 1.20 0.00 0.00 173.24 174.58 1sfy s THR 48 N -0.74 -0.02 -0.04 6.45 2.01 -1.26 -0.75 115.64 121.28 1sfy s THR 48 Ca 0.03 0.09 -0.17 0.00 0.31 0.00 0.00 61.69 61.95 1sfy s THR 48 Cb -0.08 -0.19 0.03 0.00 0.01 0.00 0.00 72.50 72.28 1sfy s THR 48 CO 0.01 0.04 0.37 -0.83 -0.69 0.00 0.00 174.62 173.52 1sfy s GLY 49 N 0.57 -0.23 0.07 4.40 0.00 -0.86 -0.66 107.32 110.61 1sfy s GLY 49 Ca -0.04 0.60 -0.03 0.00 0.00 0.00 0.00 44.72 45.24 1sfy s GLY 49 CO -0.03 0.38 0.04 0.50 0.00 0.00 0.00 173.10 173.99 1sfy s ARG 50 N -1.01 0.70 -0.02 2.90 0.52 -0.70 -1.00 118.95 120.33 1sfy s ARG 50 Ca -0.11 -1.16 -0.00 0.00 -0.52 0.00 0.00 55.73 53.94 1sfy s ARG 50 Cb -0.04 0.25 0.03 0.00 0.52 0.00 0.00 34.95 35.71 1sfy s ARG 50 CO 0.04 -0.16 0.03 0.99 0.02 0.00 0.00 175.30 176.22 1sfy s THR 51 N -3.91 -0.05 0.09 0.02 2.01 0.03 -0.57 115.64 113.26 1sfy s THR 51 Ca 0.07 0.19 0.08 0.00 0.31 0.00 0.00 61.69 62.34 1sfy s THR 51 Cb 0.07 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.47 1sfy s THR 51 CO -0.10 0.08 -0.20 -0.76 -0.69 0.00 0.00 174.62 172.95 1sfy s LEU 52 N 0.96 2.27 0.08 4.42 1.02 -0.09 -0.87 118.68 126.47 1sfy s LEU 52 Ca -0.08 -0.65 -0.30 0.00 0.02 0.00 0.00 54.13 53.12 1sfy s LEU 52 Cb -0.11 -0.87 -0.06 0.00 0.02 0.00 0.00 46.19 45.17 1sfy s LEU 52 CO -0.03 0.07 1.14 -0.47 0.02 0.00 0.00 176.35 177.08 1sfy s TYR 53 N -1.10 3.51 0.10 0.29 5.04 -0.61 -0.25 117.35 124.34 1sfy s TYR 53 Ca 0.06 1.44 0.30 0.00 -2.44 0.00 0.00 57.07 56.43 1sfy s TYR 53 Cb -0.10 -3.34 1.62 0.00 0.35 0.00 0.00 41.96 40.49 1sfy s TYR 53 CO 0.04 -0.93 1.93 0.00 -1.34 0.00 0.00 175.55 175.25 1sfy h ALA 54 N 6.34 1.00 -3.33 3.97 0.00 -0.62 -3.42 119.26 123.20 1sfy h ALA 54 Ca -0.42 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.84 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 0.78 0.00 -0.64 0.15 0.00 0.00 0.00 179.25 179.53 1sfy s LYS 55 N -3.76 3.53 0.57 0.00 1.02 -1.26 -5.05 119.74 114.79 1sfy s LYS 55 Ca -0.03 -0.47 -0.17 0.00 0.02 0.00 0.00 55.97 55.32 1sfy s LYS 55 Cb 0.09 -2.92 -0.05 0.00 -0.52 0.00 0.00 37.83 34.44 1sfy s LYS 55 CO 0.29 0.36 1.07 -1.25 -0.92 0.00 0.00 175.35 174.90 1sfy s PRO 56 N 0.05 3.39 -0.04 -1.68 0.04 -1.26 -4.79 135.00 130.70 1sfy s PRO 56 Ca 0.01 1.31 0.05 0.00 0.04 0.00 0.00 61.00 62.41 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 -0.77 -0.19 0.14 0.04 0.00 0.00 177.00 176.24 1sfy s VAL 57 N -2.25 2.61 -0.66 -0.36 -7.23 0.25 -4.91 120.40 107.85 1sfy s VAL 57 Ca 0.66 -0.89 -0.27 0.00 -1.81 0.00 0.00 61.98 59.67 1sfy s VAL 57 Cb -0.17 -1.98 0.03 0.00 0.56 0.00 0.00 36.38 34.82 1sfy s VAL 57 CO 0.32 0.58 1.21 -2.28 -0.31 0.00 0.00 175.10 174.62 1sfy s HIS 58 N -0.59 2.46 -0.08 2.82 2.46 -1.26 -1.41 115.29 119.69 1sfy s HIS 58 Ca 0.09 0.08 0.14 0.00 0.47 0.00 0.00 55.06 55.84 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 0.00 -1.83 0.91 0.97 -2.47 0.00 0.00 174.74 172.33 1sfy h ILE 59 N 6.07 0.76 -2.24 0.89 6.09 -1.19 -3.44 117.51 124.45 1sfy h ILE 59 Ca -0.27 -2.35 0.02 0.00 -1.37 0.00 0.00 64.86 60.89 1sfy h ILE 59 Cb 1.06 2.27 -0.17 0.00 0.47 0.00 0.00 36.82 40.44 1sfy h ILE 59 CO 1.23 0.43 0.35 -1.66 -3.07 0.00 0.00 178.15 175.43 1sfy s TRP 60 N -2.82 -0.49 -0.19 2.19 1.48 -1.17 0.01 118.94 117.96 1sfy s TRP 60 Ca -0.02 0.59 -0.01 0.00 -1.06 0.00 0.00 56.10 55.61 1sfy s TRP 60 Cb 0.08 0.49 0.01 0.00 -1.16 0.00 0.00 33.47 32.89 1sfy s TRP 60 CO 0.81 -0.60 -0.15 0.34 -4.06 0.00 0.00 176.95 173.29 1sfy s ASP 61 N -1.90 3.53 0.35 -2.66 2.15 -0.09 -4.50 116.67 113.56 1sfy s ASP 61 Ca -0.02 -0.55 0.10 0.00 0.43 0.00 0.00 52.55 52.51 1sfy s ASP 61 Cb -0.01 -1.57 0.63 0.00 -0.30 0.00 0.00 42.92 41.68 1sfy s ASP 61 CO -0.02 0.00 1.79 -0.03 -0.17 0.00 0.00 175.17 176.74 1sfy h MET 62 N 7.93 0.10 0.05 4.34 1.85 -1.95 0.23 114.93 127.48 1sfy h MET 62 Ca -0.43 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 58.61 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 0.62 0.46 -0.02 1.15 -0.40 0.00 0.00 176.91 178.71 1sfy h THR 63 N 0.09 1.17 0.00 -0.77 2.02 -1.96 -3.27 112.91 110.18 1sfy h THR 63 Ca 0.01 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1sfy h THR 63 Cb 0.69 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1sfy h THR 63 CO 0.05 0.18 -0.74 0.35 0.37 0.00 0.00 175.52 175.73 1sfy n THR 64 N -4.97 0.08 -1.05 3.16 -2.24 -1.21 -4.96 114.28 103.10 1sfy n THR 64 Ca -0.08 -0.10 -0.02 0.00 -2.27 0.00 0.00 64.05 61.59 1sfy n THR 64 Cb 0.19 0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 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 1.45 0.45 3.85 3.38 0.00 0.80 -5.00 105.19 110.11 1sfy n GLY 65 Ca 0.04 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.75 4.79 0.02 2.61 -4.23 -1.16 -4.90 115.64 111.02 1sfy s THR 66 Ca 0.00 0.81 0.07 0.00 -1.18 0.00 0.00 61.69 61.39 1sfy s THR 66 Cb 0.00 -3.68 -0.02 0.00 1.34 0.00 0.00 72.50 70.13 1sfy s THR 66 CO 0.00 0.03 -0.21 0.54 -0.54 0.00 0.00 174.62 174.44 1sfy s VAL 67 N -1.72 1.69 0.43 2.29 0.11 -1.26 -0.91 120.40 121.03 1sfy s VAL 67 Ca 0.46 -1.10 -0.17 0.00 -2.93 0.00 0.00 61.98 58.24 1sfy s VAL 67 Cb -0.13 -1.44 -0.09 0.00 -1.53 0.00 0.00 36.38 33.19 1sfy s VAL 67 CO 0.20 0.31 0.89 0.00 -3.33 0.00 0.00 175.10 173.17 1sfy s ALA 68 N -0.69 3.15 -0.08 1.54 0.00 0.10 -4.68 121.76 121.11 1sfy s ALA 68 Ca 0.08 0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.16 1sfy s ALA 68 Cb -0.09 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1sfy s ALA 68 CO 0.01 0.03 0.12 -1.12 0.00 0.00 0.00 175.76 174.80 1sfy s SER 69 N -2.63 6.11 0.16 0.00 0.01 -0.93 -4.51 113.70 111.91 1sfy s SER 69 Ca 0.58 0.35 -0.04 0.00 1.31 0.00 0.00 55.95 58.14 1sfy s SER 69 Cb -0.10 -1.90 -0.03 0.00 0.21 0.00 0.00 66.02 64.20 1sfy s SER 69 CO 0.22 0.36 0.17 0.72 0.41 0.00 0.00 173.24 175.12 1sfy s PHE 70 N -1.09 0.74 -0.17 2.43 -0.12 -1.01 -1.41 117.98 117.35 1sfy s PHE 70 Ca 0.18 -1.08 -0.15 0.00 -0.05 0.00 0.00 56.93 55.83 1sfy s PHE 70 Cb -0.12 -0.32 0.05 0.00 -0.63 0.00 0.00 43.02 42.00 1sfy s PHE 70 CO 0.08 -0.63 0.45 -2.00 -0.05 0.00 0.00 175.22 173.06 1sfy s GLU 71 N -4.04 0.51 0.02 1.99 2.12 -0.56 -0.71 118.70 118.03 1sfy s GLU 71 Ca 0.25 0.65 0.02 0.00 0.36 0.00 0.00 54.97 56.25 1sfy s GLU 71 Cb 0.06 0.22 -0.01 0.00 0.26 0.00 0.00 34.13 34.65 1sfy s GLU 71 CO 0.04 -0.08 -0.07 -0.08 -0.54 0.00 0.00 175.26 174.53 1sfy s THR 72 N 0.41 0.47 -0.01 -1.70 -1.32 -0.21 -1.44 115.64 111.85 1sfy s THR 72 Ca -0.01 -0.68 0.01 0.00 -1.21 0.00 0.00 61.69 59.80 1sfy s THR 72 Cb -0.04 -0.48 0.00 0.00 -1.51 0.00 0.00 72.50 70.47 1sfy s THR 72 CO -0.01 -0.15 -0.03 -0.13 -2.21 0.00 0.00 174.62 172.08 1sfy s ARG 73 N -0.90 0.36 0.13 7.08 0.52 -0.50 -1.41 118.95 124.22 1sfy s ARG 73 Ca -0.04 -0.10 -0.20 0.00 -0.52 0.00 0.00 55.73 54.87 1sfy s ARG 73 Cb -0.06 -0.38 0.05 0.00 0.52 0.00 0.00 34.95 35.08 1sfy s ARG 73 CO 0.00 0.03 0.50 -0.59 0.02 0.00 0.00 175.30 175.26 1sfy s PHE 74 N 0.18 -0.37 -0.02 -0.53 -0.71 -1.04 -0.03 117.98 115.46 1sfy s PHE 74 Ca -0.02 0.13 0.04 0.00 -1.04 0.00 0.00 56.93 56.04 1sfy s PHE 74 Cb -0.05 0.39 -0.01 0.00 -1.21 0.00 0.00 43.02 42.15 1sfy s PHE 74 CO -0.00 -0.76 -0.13 -1.54 -1.34 0.00 0.00 175.22 171.45 1sfy s SER 75 N -2.69 1.60 0.29 1.98 1.04 -1.03 -0.80 113.70 114.09 1sfy s SER 75 Ca 0.01 -0.25 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 1sfy s SER 75 Cb 0.00 -0.30 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 1sfy s SER 75 CO -0.11 0.14 0.37 0.72 0.98 0.00 0.00 173.24 175.33 1sfy s PHE 76 N -0.11 1.08 -0.07 5.02 -0.71 -0.61 -0.59 117.98 121.97 1sfy s PHE 76 Ca 0.01 -1.27 -0.07 0.00 -1.04 0.00 0.00 56.93 54.56 1sfy s PHE 76 Cb -0.07 -0.25 0.02 0.00 -1.21 0.00 0.00 43.02 41.51 1sfy s PHE 76 CO 0.00 -0.96 0.21 -1.54 -1.34 0.00 0.00 175.22 171.60 1sfy s SER 77 N -3.20 -0.21 -0.16 1.98 1.04 -0.41 0.31 113.70 113.05 1sfy s SER 77 Ca 0.33 0.39 0.01 0.00 0.48 0.00 0.00 55.95 57.16 1sfy s SER 77 Cb 0.02 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.57 1sfy s SER 77 CO 0.18 -0.09 -0.19 -0.63 0.98 0.00 0.00 173.24 173.49 1sfy s ILE 78 N 0.03 1.90 -0.18 -1.02 1.01 -1.26 -2.32 121.20 119.36 1sfy s ILE 78 Ca -0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 1sfy s ILE 78 Cb -0.02 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 1sfy s ILE 78 CO 0.00 0.52 -0.09 -0.70 0.00 0.00 0.00 174.94 174.67 1sfy s GLU 79 N 1.20 3.33 -0.73 2.79 2.12 -1.25 -2.00 118.70 124.16 1sfy s GLU 79 Ca 0.01 -0.67 -0.05 0.00 0.36 0.00 0.00 54.97 54.63 1sfy s GLU 79 Cb -0.14 -2.82 0.19 0.00 0.26 0.00 0.00 34.13 31.62 1sfy s GLU 79 CO -0.09 -0.05 0.58 -0.65 -0.54 0.00 0.00 175.26 174.51 1sfy s GLN 80 N 1.06 2.92 0.45 4.30 -0.21 -1.26 -1.37 119.66 125.55 1sfy s GLN 80 Ca 0.00 -2.70 0.25 0.00 0.02 0.00 0.00 55.36 52.93 1sfy s GLN 80 Cb -0.15 -3.91 0.56 0.00 1.00 0.00 0.00 33.01 30.52 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 -6.36 2.91 0.13 -1.97 -3.47 132.00 130.16 1sfy h PRO 81 Ca 0.05 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.62 1sfy h PRO 81 Cb 0.93 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.03 1sfy h PRO 81 CO 0.75 0.00 0.03 0.71 -0.23 0.00 0.00 178.00 179.26 1sfy s TYR 82 N -3.29 3.79 0.10 1.56 1.51 -1.26 -4.97 117.35 114.79 1sfy s TYR 82 Ca 0.06 1.36 -0.13 0.00 -1.01 0.00 0.00 57.07 57.35 1sfy s TYR 82 Cb 0.06 -2.57 -0.14 0.00 -0.11 0.00 0.00 41.96 39.20 1sfy s TYR 82 CO 0.64 0.52 1.32 1.15 -1.11 0.00 0.00 175.55 178.08 1sfy h THR 83 N 3.31 1.28 -2.71 -0.71 2.02 -1.95 -3.47 112.91 110.68 1sfy h THR 83 Ca -0.49 -1.90 -0.08 0.00 0.77 0.00 0.00 66.41 64.72 1sfy h THR 83 Cb 1.21 1.91 -0.18 0.00 -1.74 0.00 0.00 68.15 69.35 1sfy h THR 83 CO 0.64 0.60 -0.05 0.00 0.37 0.00 0.00 175.52 177.09 1sfy s ARG 84 N -3.84 0.91 0.00 6.66 3.03 -1.26 -4.79 118.95 119.66 1sfy s ARG 84 Ca -0.11 -0.13 0.00 0.00 2.03 0.00 0.00 55.73 57.52 1sfy s ARG 84 Cb 0.09 0.41 0.00 0.00 -1.03 0.00 0.00 34.95 34.42 1sfy s ARG 84 CO 0.90 -0.29 0.00 -0.35 -1.13 0.00 0.00 175.30 174.42 1sfy n PRO 85 N 0.80 0.50 -1.99 3.89 -0.04 -1.26 -4.94 135.00 131.96 1sfy n PRO 85 Ca -0.19 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.86 1sfy n PRO 85 Cb 0.58 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.03 1sfy n PRO 85 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sfy s LEU 86 N 0.00 4.38 0.73 1.53 1.02 -1.26 -4.81 118.68 120.27 1sfy s LEU 86 Ca 0.00 2.83 -0.11 0.00 0.02 0.00 0.00 54.13 56.87 1sfy s LEU 86 Cb 0.00 -3.66 0.03 0.00 0.02 0.00 0.00 46.19 42.58 1sfy s LEU 86 CO 0.00 -0.67 1.08 -2.16 0.02 0.00 0.00 176.35 174.62 1sfy s PRO 87 N -1.91 2.59 0.03 1.29 0.04 -1.26 -4.51 135.00 131.28 1sfy s PRO 87 Ca 0.50 1.12 -0.28 0.00 0.04 0.00 0.00 61.00 62.38 1sfy s PRO 87 Cb -0.42 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.27 1sfy s PRO 87 CO 0.57 -1.38 0.89 0.00 0.04 0.00 0.00 177.00 177.12 1sfy s ALA 88 N -2.88 -1.78 -0.03 8.56 0.00 -1.24 -4.33 121.76 120.06 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 -0.16 0.48 -0.05 0.00 0.00 0.00 0.00 23.12 23.39 1sfy s ALA 88 CO 0.53 -0.76 0.03 -0.25 0.00 0.00 0.00 175.76 175.32 1sfy n ASP 89 N -0.29 4.12 0.00 0.00 8.00 0.30 -3.11 116.55 125.57 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 0.77 0.00 0.00 -0.02 0.00 0.00 41.12 42.48 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 2.63 0.88 3.18 0.44 0.00 -1.09 -1.61 105.19 109.62 1sfy n GLY 90 Ca -0.04 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 43.79 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 2.48 0.02 0.99 0.05 -1.00 -1.81 118.68 119.41 1sfy s LEU 91 Ca 0.00 -0.95 -0.02 0.00 0.05 0.00 0.00 54.13 53.21 1sfy s LEU 91 Cb 0.00 -0.17 -0.02 0.00 -2.05 0.00 0.00 46.19 43.96 1sfy s LEU 91 CO 0.00 -0.39 0.01 -0.69 -0.55 0.00 0.00 176.35 174.72 1sfy s VAL 92 N -3.25 0.10 -0.18 1.48 1.01 0.76 -1.08 120.40 119.25 1sfy s VAL 92 Ca 0.10 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 1sfy s VAL 92 Cb 0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1sfy s VAL 92 CO -0.03 -0.47 0.05 0.12 0.00 0.00 0.00 175.10 174.78 1sfy s PHE 93 N -1.42 3.23 0.09 5.22 5.36 -0.79 -1.03 117.98 128.64 1sfy s PHE 93 Ca -0.15 0.05 -0.02 0.00 -0.96 0.00 0.00 56.93 55.84 1sfy s PHE 93 Cb -0.09 -2.06 -0.03 0.00 -0.34 0.00 0.00 43.02 40.49 1sfy s PHE 93 CO -0.00 0.15 0.04 -0.59 -1.46 0.00 0.00 175.22 173.36 1sfy s PHE 94 N 0.34 0.59 -0.02 10.12 -0.71 0.09 -0.93 117.98 127.45 1sfy s PHE 94 Ca 0.03 -1.05 0.02 0.00 -1.04 0.00 0.00 56.93 54.88 1sfy s PHE 94 Cb -0.12 -0.36 0.00 0.00 -1.21 0.00 0.00 43.02 41.33 1sfy s PHE 94 CO 0.00 -0.47 -0.07 -1.64 -1.34 0.00 0.00 175.22 171.70 1sfy s MET 95 N -3.96 0.72 0.01 1.99 -1.94 0.09 -1.39 119.30 114.81 1sfy s MET 95 Ca 0.13 -0.24 -0.01 0.00 -1.71 0.00 0.00 55.69 53.87 1sfy s MET 95 Cb 0.07 -0.69 0.00 0.00 2.01 0.00 0.00 34.83 36.22 1sfy s MET 95 CO -0.05 0.10 0.04 0.41 -0.01 0.00 0.00 175.02 175.51 1sfy n GLY 96 N 3.22 1.32 3.66 -0.03 0.00 -0.98 -0.96 105.19 111.42 1sfy n GLY 96 Ca -0.17 -0.94 -0.44 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.03 1.92 -1.15 1.61 -0.02 -1.26 -0.97 135.00 135.10 1sfy n PRO 97 Ca -0.00 0.68 -0.32 0.00 -2.02 0.00 0.00 63.50 61.83 1sfy n PRO 97 Cb 0.02 -2.25 0.12 0.00 -0.02 0.00 0.00 33.50 31.37 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 -0.62 2.42 -1.40 3.45 -4.23 -1.26 -3.64 115.64 110.36 1sfy s THR 98 Ca 0.62 0.17 -0.09 0.00 -1.18 0.00 0.00 61.69 61.21 1sfy s THR 98 Cb -0.64 -2.52 0.04 0.00 1.34 0.00 0.00 72.50 70.72 1sfy s THR 98 CO 0.56 -0.15 1.06 0.29 -0.54 0.00 0.00 174.62 175.85 1sfy n LYS 99 N -3.39 -6.77 -3.04 3.99 4.76 -1.26 -4.99 118.16 107.46 1sfy n LYS 99 Ca 0.12 0.73 -0.27 0.00 -2.87 0.00 0.00 58.31 56.02 1sfy n LYS 99 Cb 0.51 -5.69 -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 -3.50 6.35 0.32 4.39 1.04 -1.24 -5.11 113.70 115.96 1sfy s SER 100 Ca 0.52 0.78 0.09 0.00 0.48 0.00 0.00 55.95 57.82 1sfy s SER 100 Cb -0.24 -2.18 -0.05 0.00 0.10 0.00 0.00 66.02 63.65 1sfy s SER 100 CO 0.77 -0.38 -0.01 -0.54 0.98 0.00 0.00 173.24 174.06 1sfy s LYS 101 N -4.20 2.09 0.29 4.02 -0.14 -1.26 -5.09 119.74 115.46 1sfy s LYS 101 Ca 0.45 -1.68 -0.30 0.00 -1.36 0.00 0.00 55.97 53.08 1sfy s LYS 101 Cb -0.10 -1.97 -0.13 0.00 -1.68 0.00 0.00 37.83 33.96 1sfy s LYS 101 CO 0.37 0.19 1.39 -2.30 -0.76 0.00 0.00 175.35 174.24 1sfy n PRO 102 N -0.92 2.19 0.00 -1.68 -0.02 -1.26 -5.00 135.00 128.31 1sfy n PRO 102 Ca -0.05 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1sfy n PRO 102 Cb 0.61 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 1.22 0.00 -1.78 3.55 0.00 -0.49 -5.01 120.51 118.00 1sfy n ALA 103 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.15 1sfy n ALA 103 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.77 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 3.03 3.93 0.00 0.00 -1.52 -0.24 -4.72 119.66 120.14 1sfy s GLN 104 Ca 0.00 1.64 0.00 0.00 -1.95 0.00 0.00 55.36 55.05 1sfy s GLN 104 Cb 0.00 -2.44 0.00 0.00 -0.22 0.00 0.00 33.01 30.35 1sfy s GLN 104 CO 0.00 -0.37 0.00 0.41 -0.25 0.00 0.00 175.29 175.08 1sfy n GLY 105 N 0.35 0.90 7.00 3.09 0.00 -1.26 0.13 105.19 115.40 1sfy n GLY 105 Ca 0.06 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 0.25 1.61 4.01 -1.26 -1.70 117.16 120.07 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 0.71 0.00 -0.31 0.00 0.00 39.34 39.76 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 0.45 2.72 0.00 -1.92 0.11 103.07 104.43 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 -2.54 0.00 -1.27 5.60 4.01 -0.69 -4.91 117.16 117.36 1sfy n TYR 108 Ca -0.02 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.61 1sfy n TYR 108 Cb 0.22 -0.04 -0.05 0.00 -0.31 0.00 0.00 39.34 39.17 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 -0.56 -0.74 0.00 7.72 4.77 0.39 -1.87 117.00 126.71 1sfy n LEU 109 Ca 0.20 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1sfy n LEU 109 Cb 0.24 -1.83 0.00 0.00 -2.33 0.00 0.00 43.42 39.50 1sfy n LEU 109 CO 0.19 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.24 1sfy n GLY 110 N -0.15 0.44 0.00 -0.72 0.00 0.12 -4.34 105.19 100.54 1sfy n GLY 110 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.78 -1.40 119.36 104.05 1sfy n ILE 111 Ca 0.00 -0.37 -0.16 0.00 -0.27 0.00 0.00 62.75 61.95 1sfy n ILE 111 Cb 0.06 1.09 -0.10 0.00 -1.74 0.00 0.00 39.64 38.95 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 -0.49 1.45 -0.06 4.28 0.08 -1.14 -4.84 117.98 117.25 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 -0.75 -0.19 0.00 -0.57 0.00 0.00 43.02 41.50 1sfy s PHE 112 CO 0.00 0.11 0.20 0.09 -0.10 0.00 0.00 175.22 175.52 1sfy n ASN 113 N -0.30 1.82 -2.48 1.36 3.02 -1.26 -1.08 115.26 116.34 1sfy n ASN 113 Ca -0.08 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.37 1sfy n ASN 113 Cb 0.61 1.29 -0.01 0.00 -0.61 0.00 0.00 39.78 41.07 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 -2.19 -1.29 -1.07 6.41 0.23 -1.26 -4.84 115.26 111.25 1sfy n ASN 114 Ca -0.10 -2.38 0.10 0.00 -0.53 0.00 0.00 54.58 51.67 1sfy n ASN 114 Cb 0.60 2.30 0.26 0.00 -2.08 0.00 0.00 39.78 40.85 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 -1.62 3.11 -4.81 0.53 3.41 -1.26 -4.57 113.62 108.41 1sfy n SER 115 Ca -0.02 -1.98 -0.37 0.00 -0.26 0.00 0.00 58.87 56.23 1sfy n SER 115 Cb 0.45 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.27 4.22 -0.41 4.33 3.01 -1.26 -4.69 119.74 123.67 1sfy s LYS 116 Ca 0.39 0.78 -0.29 0.00 -1.01 0.00 0.00 55.97 55.84 1sfy s LYS 116 Cb 0.21 -3.06 0.02 0.00 -1.01 0.00 0.00 37.83 33.99 1sfy s LYS 116 CO 0.27 0.52 1.13 -1.14 0.51 0.00 0.00 175.35 176.64 1sfy s GLN 117 N -1.58 3.86 -0.24 1.68 0.74 -1.26 -4.74 119.66 118.13 1sfy s GLN 117 Ca 0.36 0.79 -0.00 0.00 0.05 0.00 0.00 55.36 56.56 1sfy s GLN 117 Cb -0.18 -3.84 0.07 0.00 1.10 0.00 0.00 33.01 30.15 1sfy s GLN 117 CO 0.21 -1.19 -0.01 0.34 -0.55 0.00 0.00 175.29 174.09 1sfy s ASP 118 N 2.19 3.68 0.13 6.67 -1.08 -0.87 -4.97 116.67 122.42 1sfy s ASP 118 Ca 0.48 -1.19 0.06 0.00 -0.52 0.00 0.00 52.55 51.38 1sfy s ASP 118 Cb -0.09 -1.01 0.35 0.00 -1.46 0.00 0.00 42.92 40.70 1sfy s ASP 118 CO 0.25 -0.28 1.10 0.59 0.52 0.00 0.00 175.17 177.35 1sfy n ASN 119 N 4.77 0.17 0.25 -0.34 5.03 -1.26 -0.11 115.26 123.77 1sfy n ASN 119 Ca -0.09 0.48 0.14 0.00 0.87 0.00 0.00 54.58 55.98 1sfy n ASN 119 Cb 0.44 -0.47 0.59 0.00 -1.02 0.00 0.00 39.78 39.32 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 -0.73 6.41 0.87 -1.93 -3.08 113.55 115.09 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 62.23 1sfy h SER 120 CO 0.00 0.09 0.22 1.88 -0.53 0.00 0.00 176.83 178.49 1sfy h TYR 121 N 0.00 1.18 -6.46 2.24 0.05 -0.85 -3.47 116.97 109.66 1sfy h TYR 121 Ca -0.00 -0.12 -0.50 0.00 0.05 0.00 0.00 58.73 58.16 1sfy h TYR 121 Cb 0.61 -0.34 -0.08 0.00 1.01 0.00 0.00 36.73 37.93 1sfy h TYR 121 CO 0.00 0.93 -0.83 1.04 -1.05 0.00 0.00 178.16 178.26 1sfy n GLN 122 N -4.27 -4.15 -5.02 4.88 6.02 -1.17 -4.63 117.38 109.04 1sfy n GLN 122 Ca 0.06 0.48 -0.29 0.00 -0.01 0.00 0.00 57.00 57.24 1sfy n GLN 122 Cb 0.23 -5.07 -0.16 0.00 1.02 0.00 0.00 30.24 26.26 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 -3.53 1.71 -0.10 5.09 2.01 -1.26 -3.97 115.64 115.59 1sfy s THR 123 Ca 0.41 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.59 1sfy s THR 123 Cb -0.22 -1.47 -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 0.05 2.20 -0.00 4.42 2.96 -0.13 -1.18 118.68 126.99 1sfy s LEU 124 Ca -0.06 -0.51 -0.07 0.00 -0.22 0.00 0.00 54.13 53.27 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 0.04 0.18 0.14 -0.83 -1.32 0.00 0.00 176.35 174.56 1sfy s GLY 125 N 0.22 0.03 -0.31 7.98 0.00 0.20 -0.74 107.32 114.70 1sfy s GLY 125 Ca -0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 44.72 44.49 1sfy s GLY 125 CO 0.07 -0.21 0.01 0.14 0.00 0.00 0.00 173.10 173.11 1sfy s VAL 126 N -1.26 2.81 0.17 1.40 1.01 -0.11 0.30 120.40 124.73 1sfy s VAL 126 Ca -0.13 -1.61 -0.01 0.00 0.00 0.00 0.00 61.98 60.23 1sfy s VAL 126 Cb -0.07 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1sfy s VAL 126 CO 0.01 -0.22 0.36 -1.83 0.00 0.00 0.00 175.10 173.43 1sfy s GLU 127 N 1.18 3.52 -0.55 2.72 -1.05 0.74 -1.89 118.70 123.37 1sfy s GLU 127 Ca -0.03 -0.34 0.04 0.00 -0.15 0.00 0.00 54.97 54.49 1sfy s GLU 127 Cb -0.20 -2.87 0.15 0.00 -0.44 0.00 0.00 34.13 30.77 1sfy s GLU 127 CO -0.03 0.44 0.36 -0.06 0.95 0.00 0.00 175.26 176.93 1sfy s PHE 128 N -1.79 2.57 -0.13 4.83 0.08 -0.24 -0.88 117.98 122.42 1sfy s PHE 128 Ca 0.38 -2.85 -0.26 0.00 0.12 0.00 0.00 56.93 54.31 1sfy s PHE 128 Cb -0.11 -2.12 -0.02 0.00 -0.57 0.00 0.00 43.02 40.20 1sfy s PHE 128 CO 0.28 -0.69 0.87 0.34 -0.10 0.00 0.00 175.22 175.92 1sfy s ASP 129 N -0.49 7.06 0.00 1.36 -1.08 -0.30 -2.36 116.67 120.86 1sfy s ASP 129 Ca 0.23 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 38.86 1sfy s ASP 129 CO -0.10 -0.37 0.75 0.35 0.52 0.00 0.00 175.17 176.31 1sfy n THR 130 N 4.52 0.00 -4.78 1.71 -2.24 -0.64 -1.10 114.28 111.75 1sfy n THR 130 Ca 0.05 -0.36 -0.25 0.00 -2.27 0.00 0.00 64.05 61.22 1sfy n THR 130 Cb 0.49 1.15 -0.16 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.64 1.53 -0.52 4.78 5.36 -1.24 -4.69 117.98 121.57 1sfy s PHE 131 Ca 0.11 -0.35 -0.21 0.00 -0.96 0.00 0.00 56.93 55.52 1sfy s PHE 131 Cb 0.11 -1.01 0.05 0.00 -0.34 0.00 0.00 43.02 41.83 1sfy s PHE 131 CO 0.33 -0.08 0.74 0.45 -1.46 0.00 0.00 175.22 175.21 1sfy s SER 132 N -0.20 6.27 0.70 6.13 0.15 -1.26 -4.99 113.70 120.50 1sfy s SER 132 Ca 0.02 -0.68 -0.03 0.00 0.70 0.00 0.00 55.95 55.96 1sfy s SER 132 Cb -0.08 -2.35 0.10 0.00 -1.71 0.00 0.00 66.02 61.98 1sfy s SER 132 CO 0.00 -1.01 0.98 0.20 1.20 0.00 0.00 173.24 174.61 1sfy s ASN 133 N 2.72 4.55 0.54 5.45 -0.87 -1.26 -4.91 114.94 121.15 1sfy s ASN 133 Ca 0.21 -0.01 0.25 0.00 -1.57 0.00 0.00 52.86 51.74 1sfy s ASN 133 Cb -0.16 -0.52 1.41 0.00 -0.02 0.00 0.00 41.25 41.95 1sfy s ASN 133 CO 0.15 -1.72 2.01 0.06 -2.57 0.00 0.00 177.10 175.03 1sfy h GLN 134 N -0.52 0.00 -0.01 -0.60 -0.00 -1.98 -0.28 115.11 111.71 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 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 1sfy h GLN 134 CO 0.48 0.00 -0.12 -2.67 -0.00 0.00 0.00 178.83 176.52 1sfy n TRP 135 N -4.33 0.00 -3.62 0.06 2.14 -1.26 -4.95 117.44 105.48 1sfy n TRP 135 Ca 0.08 0.00 -0.22 0.00 2.07 0.00 0.00 57.50 59.43 1sfy n TRP 135 Cb 0.56 -0.04 -0.01 0.00 -0.81 0.00 0.00 31.31 31.01 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 6.25 0.85 -0.67 1.01 -0.12 -4.79 116.67 117.00 1sfy s ASP 136 Ca 0.31 0.22 -0.12 0.00 0.71 0.00 0.00 52.55 53.68 1sfy s ASP 136 Cb 0.20 -1.86 0.10 0.00 1.01 0.00 0.00 42.92 42.37 1sfy s ASP 136 CO 0.41 -0.23 1.10 -2.16 0.21 0.00 0.00 175.17 174.50 1sfy s PRO 137 N -4.17 1.68 0.27 8.23 0.04 -1.26 -4.76 135.00 135.03 1sfy s PRO 137 Ca 0.38 0.61 -0.04 0.00 0.04 0.00 0.00 61.00 61.99 1sfy s PRO 137 Cb -0.09 -1.88 0.37 0.00 0.04 0.00 0.00 34.50 32.94 1sfy s PRO 137 CO 0.33 -1.89 1.93 -1.35 0.04 0.00 0.00 177.00 176.06 1sfy h PRO 138 N -1.29 1.19 -6.57 0.56 0.11 -1.98 -3.44 132.00 120.58 1sfy h PRO 138 Ca -0.48 -0.07 -0.52 0.00 0.11 0.00 0.00 66.00 65.03 1sfy h PRO 138 Cb 1.29 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1sfy h PRO 138 CO 0.59 0.79 0.50 -0.65 -0.21 0.00 0.00 178.00 179.01 1sfy s GLN 139 N -6.02 4.53 -0.02 1.05 1.11 -1.26 -4.87 119.66 114.18 1sfy s GLN 139 Ca -0.12 1.71 -0.06 0.00 0.01 0.00 0.00 55.36 56.90 1sfy s GLN 139 Cb 0.18 -3.32 0.01 0.00 -1.01 0.00 0.00 33.01 28.87 1sfy s GLN 139 CO 0.81 -0.06 0.13 0.14 0.01 0.00 0.00 175.29 176.32 1sfy s VAL 140 N 0.35 0.05 0.75 1.09 -7.23 -1.26 -4.36 120.40 109.78 1sfy s VAL 140 Ca 0.53 -0.43 -0.11 0.00 -1.81 0.00 0.00 61.98 60.16 1sfy s VAL 140 Cb -0.29 -0.33 0.04 0.00 0.56 0.00 0.00 36.38 36.36 1sfy s VAL 140 CO 0.32 -0.23 1.08 -2.16 -0.31 0.00 0.00 175.10 173.80 1sfy s PRO 141 N -0.80 2.51 0.01 4.82 0.04 -1.25 -4.95 135.00 135.39 1sfy s PRO 141 Ca -0.09 0.74 -0.10 0.00 0.04 0.00 0.00 61.00 61.59 1sfy s PRO 141 Cb -0.05 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1sfy s PRO 141 CO 0.01 -1.34 0.21 -3.38 0.04 0.00 0.00 177.00 172.54 1sfy s HIS 142 N -3.13 -0.03 0.04 0.56 -3.43 -0.26 -1.97 115.29 107.07 1sfy s HIS 142 Ca 0.59 -0.05 -0.16 0.00 -0.80 0.00 0.00 55.06 54.65 1sfy s HIS 142 Cb -0.14 0.01 -0.06 0.00 -1.43 0.00 0.00 32.58 30.96 1sfy s HIS 142 CO 0.54 -0.37 0.47 0.42 -2.00 0.00 0.00 174.74 173.80 1sfy s ILE 143 N -1.75 4.94 -0.03 -5.38 1.01 0.11 -1.16 121.20 118.94 1sfy s ILE 143 Ca -0.11 0.92 -0.06 0.00 0.00 0.00 0.00 60.65 61.40 1sfy s ILE 143 Cb -0.05 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.67 1sfy s ILE 143 CO 0.01 0.52 0.13 -0.83 0.00 0.00 0.00 174.94 174.77 1sfy s GLY 144 N -1.19 -0.03 -0.34 6.18 0.00 -0.06 -0.55 107.32 111.33 1sfy s GLY 144 Ca 0.27 0.15 -0.12 0.00 0.00 0.00 0.00 44.72 45.03 1sfy s GLY 144 CO 0.16 0.07 0.21 -0.42 0.00 0.00 0.00 173.10 173.12 1sfy s ILE 145 N -0.54 4.98 -0.24 0.90 1.01 -0.89 -0.19 121.20 126.24 1sfy s ILE 145 Ca -0.06 -0.39 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 1sfy s ILE 145 Cb -0.04 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 1sfy s ILE 145 CO 0.01 -0.03 0.08 -1.81 0.00 0.00 0.00 174.94 173.18 1sfy s ASP 146 N 1.67 5.27 -0.33 3.58 1.01 0.15 -1.76 116.67 126.25 1sfy s ASP 146 Ca 0.05 -0.15 0.03 0.00 0.71 0.00 0.00 52.55 53.19 1sfy s ASP 146 Cb -0.18 -1.94 0.10 0.00 1.01 0.00 0.00 42.92 41.91 1sfy s ASP 146 CO 0.09 -0.01 0.04 -0.69 0.21 0.00 0.00 175.17 174.81 1sfy s VAL 147 N 1.44 2.12 -1.86 -1.27 1.01 -1.26 -0.63 120.40 119.95 1sfy s VAL 147 Ca 0.06 -2.19 0.00 0.00 0.00 0.00 0.00 61.98 59.85 1sfy s VAL 147 Cb -0.15 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1sfy s VAL 147 CO 0.04 -0.56 0.00 0.59 0.00 0.00 0.00 175.10 175.17 1sfy n ASN 148 N 4.33 -5.40 -3.60 3.32 3.02 -0.32 -4.93 115.26 111.67 1sfy n ASN 148 Ca 0.02 0.23 -0.09 0.00 -0.03 0.00 0.00 54.58 54.71 1sfy n ASN 148 Cb 0.42 -4.63 -0.06 0.00 -0.61 0.00 0.00 39.78 34.90 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 -2.32 -0.35 0.25 6.41 0.15 -1.26 -2.05 113.70 114.52 1sfy s SER 149 Ca 0.00 0.46 0.25 0.00 0.70 0.00 0.00 55.95 57.36 1sfy s SER 149 Cb 0.00 0.40 0.90 0.00 -1.71 0.00 0.00 66.02 65.61 1sfy s SER 149 CO 0.00 -0.26 1.75 0.00 1.20 0.00 0.00 173.24 175.93 1sfy n ILE 150 N 1.08 0.72 -2.82 6.45 0.13 -1.26 -4.39 119.36 119.26 1sfy n ILE 150 Ca -0.10 -0.03 -0.43 0.00 -1.10 0.00 0.00 62.75 61.09 1sfy n ILE 150 Cb 0.57 -0.88 -0.04 0.00 -0.84 0.00 0.00 39.64 38.46 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 -3.22 3.18 0.44 9.51 3.52 -1.26 -4.98 118.95 126.14 1sfy s ARG 151 Ca 0.07 -0.87 -0.23 0.00 -0.13 0.00 0.00 55.73 54.57 1sfy s ARG 151 Cb 0.11 -4.33 -0.10 0.00 -1.56 0.00 0.00 34.95 29.07 1sfy s ARG 151 CO 0.50 -1.86 0.84 0.43 -0.81 0.00 0.00 175.30 174.40 1sfy n SER 152 N 7.80 0.46 0.08 -2.12 7.64 -1.26 -4.79 113.62 121.42 1sfy n SER 152 Ca 0.01 0.96 0.12 0.00 1.01 0.00 0.00 58.87 60.97 1sfy n SER 152 Cb 0.46 -1.28 0.19 0.00 -1.01 0.00 0.00 64.21 62.57 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 1.15 0.00 -2.86 0.44 3.07 -1.71 -3.46 117.51 114.14 1sfy h ILE 153 Ca -0.44 -0.56 -0.13 0.00 1.55 0.00 0.00 64.86 65.29 1sfy h ILE 153 Cb 1.36 1.21 -0.23 0.00 -0.27 0.00 0.00 36.82 38.88 1sfy h ILE 153 CO 0.54 0.00 -0.27 -0.75 -1.05 0.00 0.00 178.15 176.62 1sfy s LYS 154 N -3.18 0.50 0.04 0.16 2.47 -1.25 -5.03 119.74 113.45 1sfy s LYS 154 Ca 0.06 0.36 0.02 0.00 -1.56 0.00 0.00 55.97 54.85 1sfy s LYS 154 Cb 0.12 0.24 -0.02 0.00 -1.46 0.00 0.00 37.83 36.71 1sfy s LYS 154 CO 0.71 -0.09 -0.07 0.99 0.16 0.00 0.00 175.35 177.06 1sfy s THR 155 N -0.16 0.45 -0.23 3.43 2.01 -1.26 -2.09 115.64 117.80 1sfy s THR 155 Ca -0.03 -1.09 -0.03 0.00 0.31 0.00 0.00 61.69 60.85 1sfy s THR 155 Cb -0.03 -0.59 0.11 0.00 0.01 0.00 0.00 72.50 72.01 1sfy s THR 155 CO 0.01 -0.43 0.30 -1.58 -0.69 0.00 0.00 174.62 172.23 1sfy s GLN 156 N -1.67 0.27 0.52 4.92 2.00 0.29 -4.96 119.66 121.03 1sfy s GLN 156 Ca -0.10 0.34 -0.21 0.00 -2.00 0.00 0.00 55.36 53.39 1sfy s GLN 156 Cb -0.09 -0.84 -0.06 0.00 0.80 0.00 0.00 33.01 32.82 1sfy s GLN 156 CO -0.00 -0.67 1.22 -2.14 -0.50 0.00 0.00 175.29 173.20 1sfy s PRO 157 N 2.43 3.37 0.08 1.67 0.02 -1.26 0.08 135.00 141.40 1sfy s PRO 157 Ca 0.10 1.88 -0.08 0.00 0.02 0.00 0.00 61.00 62.91 1sfy s PRO 157 Cb -0.15 -2.21 -0.00 0.00 0.02 0.00 0.00 34.50 32.15 1sfy s PRO 157 CO -0.15 -0.90 0.18 -0.59 -0.33 0.00 0.00 177.00 175.22 1sfy s PHE 158 N -1.53 0.15 -0.31 6.54 -0.71 -0.83 -4.85 117.98 116.45 1sfy s PHE 158 Ca 0.70 -0.57 -0.19 0.00 -1.04 0.00 0.00 56.93 55.83 1sfy s PHE 158 Cb -0.31 -0.07 -0.01 0.00 -1.21 0.00 0.00 43.02 41.42 1sfy s PHE 158 CO 0.36 -0.52 0.58 -1.14 -1.34 0.00 0.00 175.22 173.16 1sfy s GLN 159 N -3.72 3.87 0.01 1.99 2.00 -1.26 -3.95 119.66 118.60 1sfy s GLN 159 Ca 0.04 0.20 -0.30 0.00 -2.00 0.00 0.00 55.36 53.30 1sfy s GLN 159 Cb 0.04 -3.73 -0.04 0.00 0.80 0.00 0.00 33.01 30.08 1sfy s GLN 159 CO -0.10 -0.55 1.14 -1.17 -0.50 0.00 0.00 175.29 174.11 1sfy s LEU 160 N 2.51 4.34 -1.03 3.68 2.96 -1.26 -4.96 118.68 124.94 1sfy s LEU 160 Ca 0.23 1.87 -0.11 0.00 -0.22 0.00 0.00 54.13 55.90 1sfy s LEU 160 Cb -0.15 -3.57 0.25 0.00 0.50 0.00 0.00 46.19 43.22 1sfy s LEU 160 CO 0.12 -0.45 1.03 -1.81 -1.32 0.00 0.00 176.35 173.92 1sfy s ASP 161 N 1.15 7.11 -0.48 3.68 1.01 -1.26 -5.00 116.67 122.88 1sfy s ASP 161 Ca 0.56 -3.23 -0.43 0.00 0.71 0.00 0.00 52.55 50.16 1sfy s ASP 161 Cb -0.26 -2.23 -0.19 0.00 1.01 0.00 0.00 42.92 41.26 1sfy s ASP 161 CO 0.27 -0.43 1.75 -3.20 0.21 0.00 0.00 175.17 173.77 1sfy n ASN 162 N 3.40 0.95 0.00 0.27 5.15 -1.26 -0.07 115.26 123.70 1sfy n ASN 162 Ca 0.22 0.91 0.00 0.00 -0.60 0.00 0.00 54.58 55.11 1sfy n ASN 162 Cb 0.42 -0.84 0.00 0.00 -0.53 0.00 0.00 39.78 38.83 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 5.29 2.19 3.86 8.20 0.00 -0.85 -4.98 105.19 118.90 1sfy n GLY 163 Ca 0.40 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.09 3.90 0.05 1.61 -1.52 0.90 -4.85 119.66 119.65 1sfy s GLN 164 Ca 0.00 0.59 -0.29 0.00 -1.95 0.00 0.00 55.36 53.72 1sfy s GLN 164 Cb 0.00 -2.40 -0.05 0.00 -0.22 0.00 0.00 33.01 30.35 1sfy s GLN 164 CO 0.00 0.05 0.91 0.08 -0.25 0.00 0.00 175.29 176.08 1sfy s VAL 165 N -2.19 4.71 0.00 1.09 1.01 -1.26 -4.33 120.40 119.43 1sfy s VAL 165 Ca 0.53 1.94 0.04 0.00 0.00 0.00 0.00 61.98 64.50 1sfy s VAL 165 Cb -0.10 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1sfy s VAL 165 CO 0.24 0.27 -0.12 0.00 0.00 0.00 0.00 175.10 175.49 1sfy s ALA 166 N 0.41 2.80 -0.13 5.51 0.00 0.15 -4.23 121.76 126.27 1sfy s ALA 166 Ca 0.46 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 1sfy s ALA 166 Cb -0.22 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 1sfy s ALA 166 CO 0.27 0.59 -0.01 -0.80 0.00 0.00 0.00 175.76 175.81 1sfy s ASN 167 N -1.25 5.06 -0.01 0.00 0.01 0.81 -1.58 114.94 117.98 1sfy s ASN 167 Ca 0.15 -0.00 0.07 0.00 -0.71 0.00 0.00 52.86 52.36 1sfy s ASN 167 Cb -0.11 -1.69 -0.02 0.00 0.41 0.00 0.00 41.25 39.85 1sfy s ASN 167 CO 0.05 0.24 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.98 1sfy s VAL 168 N -0.07 1.70 -0.08 1.60 1.01 0.02 -0.49 120.40 124.09 1sfy s VAL 168 Ca 0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1sfy s VAL 168 Cb -0.13 -1.42 0.03 0.00 0.00 0.00 0.00 36.38 34.86 1sfy s VAL 168 CO 0.02 0.44 -0.03 -0.69 0.00 0.00 0.00 175.10 174.84 1sfy s VAL 169 N -0.54 0.57 -0.14 2.92 1.01 -0.51 -2.51 120.40 121.20 1sfy s VAL 169 Ca 0.08 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1sfy s VAL 169 Cb -0.08 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.65 1sfy s VAL 169 CO -0.00 0.28 -0.18 -0.63 0.00 0.00 0.00 175.10 174.57 1sfy s ILE 170 N 1.67 1.81 0.02 2.22 1.01 -0.50 0.05 121.20 127.48 1sfy s ILE 170 Ca 0.01 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 59.91 1sfy s ILE 170 Cb -0.13 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 1sfy s ILE 170 CO -0.05 0.50 -0.15 -0.75 0.00 0.00 0.00 174.94 174.50 1sfy s LYS 171 N 1.12 1.04 -0.12 2.79 2.20 0.32 -1.05 119.74 126.04 1sfy s LYS 171 Ca -0.01 -0.68 -0.00 0.00 -0.36 0.00 0.00 55.97 54.91 1sfy s LYS 171 Cb -0.14 -1.04 0.02 0.00 -1.51 0.00 0.00 37.83 35.16 1sfy s LYS 171 CO -0.06 0.27 -0.10 -0.47 -0.36 0.00 0.00 175.35 174.63 1sfy s TYR 172 N -0.66 1.70 -0.34 4.03 5.04 0.12 -0.99 117.35 126.25 1sfy s TYR 172 Ca 0.03 -0.88 -0.12 0.00 -2.44 0.00 0.00 57.07 53.66 1sfy s TYR 172 Cb -0.07 -1.34 -0.01 0.00 0.35 0.00 0.00 41.96 40.89 1sfy s TYR 172 CO 0.01 -0.55 0.23 -0.51 -1.34 0.00 0.00 175.55 173.39 1sfy s ASP 173 N 1.57 5.97 0.34 4.32 1.01 -0.50 -2.41 116.67 126.97 1sfy s ASP 173 Ca 0.04 -0.50 0.03 0.00 0.71 0.00 0.00 52.55 52.82 1sfy s ASP 173 Cb -0.13 -2.12 0.60 0.00 1.01 0.00 0.00 42.92 42.29 1sfy s ASP 173 CO -0.08 -0.25 1.93 0.00 0.21 0.00 0.00 175.17 176.97 1sfy h ALA 174 N 8.48 1.43 -0.94 5.23 0.00 -1.88 -0.03 119.26 131.54 1sfy h ALA 174 Ca -0.31 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.51 1sfy h ALA 174 Cb 1.15 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1sfy h ALA 174 CO 0.64 0.43 0.62 0.77 0.00 0.00 0.00 179.25 181.71 1sfy h SER 175 N 0.68 1.00 -0.07 0.00 0.02 -1.93 -2.93 113.55 110.32 1sfy h SER 175 Ca 0.16 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1sfy h SER 175 Cb 0.15 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1sfy h SER 175 CO -0.01 0.67 0.00 -1.54 -1.14 0.00 0.00 176.83 174.81 1sfy n SER 176 N -4.46 2.19 -2.87 3.07 3.41 -1.14 -4.96 113.62 108.87 1sfy n SER 176 Ca 0.13 -1.59 -0.21 0.00 -0.26 0.00 0.00 58.87 56.94 1sfy n SER 176 Cb 0.13 -0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.71 -3.53 -3.79 4.33 5.02 -0.07 -4.89 118.16 115.94 1sfy n LYS 177 Ca 0.08 0.80 -0.36 0.00 -2.02 0.00 0.00 58.31 56.81 1sfy n LYS 177 Cb 0.34 -5.55 -0.11 0.00 -0.02 0.00 0.00 35.03 29.68 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 -6.35 3.79 -0.36 -0.35 0.20 -0.96 -0.51 118.68 114.15 1sfy s LEU 178 Ca 0.21 -0.02 -0.06 0.00 0.69 0.00 0.00 54.13 54.95 1sfy s LEU 178 Cb -0.10 -2.01 0.06 0.00 -0.43 0.00 0.00 46.19 43.71 1sfy s LEU 178 CO 0.26 0.05 0.14 -0.22 -0.29 0.00 0.00 176.35 176.29 1sfy s LEU 179 N 1.13 4.55 -0.12 -0.68 2.96 -0.36 -1.41 118.68 124.75 1sfy s LEU 179 Ca 0.05 -1.34 0.01 0.00 -0.22 0.00 0.00 54.13 52.64 1sfy s LEU 179 Cb -0.14 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 1sfy s LEU 179 CO 0.04 -0.39 -0.16 -1.38 -1.32 0.00 0.00 176.35 173.15 1sfy s HIS 180 N 1.36 2.74 0.12 5.38 -3.43 -0.16 -2.13 115.29 119.16 1sfy s HIS 180 Ca 0.00 -0.71 0.11 0.00 -0.80 0.00 0.00 55.06 53.65 1sfy s HIS 180 Cb -0.21 -1.80 -0.04 0.00 -1.43 0.00 0.00 32.58 29.11 1sfy s HIS 180 CO 0.01 -0.24 -0.26 0.00 -2.00 0.00 0.00 174.74 172.26 1sfy s ALA 181 N 0.28 2.40 -0.01 -1.38 0.00 -0.19 -0.52 121.76 122.34 1sfy s ALA 181 Ca -0.12 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.43 1sfy s ALA 181 Cb -0.16 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1sfy s ALA 181 CO 0.06 0.54 -0.05 0.08 0.00 0.00 0.00 175.76 176.40 1sfy s VAL 182 N -1.04 0.40 -0.10 0.00 1.01 0.11 -1.80 120.40 118.97 1sfy s VAL 182 Ca 0.14 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1sfy s VAL 182 Cb -0.10 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.93 1sfy s VAL 182 CO 0.06 0.12 -0.19 -0.22 0.00 0.00 0.00 175.10 174.87 1sfy s LEU 183 N 0.03 1.91 -0.05 3.92 0.20 -0.45 -1.42 118.68 122.82 1sfy s LEU 183 Ca 0.00 -0.47 0.02 0.00 0.69 0.00 0.00 54.13 54.37 1sfy s LEU 183 Cb -0.04 -1.21 0.01 0.00 -0.43 0.00 0.00 46.19 44.53 1sfy s LEU 183 CO -0.00 0.09 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.37 1sfy s VAL 184 N 0.61 0.85 -0.55 1.68 1.01 0.36 -0.94 120.40 123.42 1sfy s VAL 184 Ca -0.14 -0.34 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1sfy s VAL 184 Cb -0.17 -0.80 0.14 0.00 0.00 0.00 0.00 36.38 35.56 1sfy s VAL 184 CO 0.04 0.28 0.42 -0.31 0.00 0.00 0.00 175.10 175.54 1sfy s TYR 185 N 0.61 3.47 0.38 5.22 2.02 -0.68 -0.13 117.35 128.23 1sfy s TYR 185 Ca -0.11 -2.01 0.15 0.00 -0.37 0.00 0.00 57.07 54.73 1sfy s TYR 185 Cb -0.14 -3.51 1.01 0.00 -0.40 0.00 0.00 41.96 38.93 1sfy s TYR 185 CO 0.02 -0.97 1.78 -1.35 -1.57 0.00 0.00 175.55 173.46 1sfy h PRO 186 N 8.15 0.47 0.40 -1.71 0.11 -1.87 0.69 132.00 138.24 1sfy h PRO 186 Ca -0.14 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 1sfy h PRO 186 Cb 1.05 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1sfy h PRO 186 CO 0.83 0.31 -0.39 0.66 -0.21 0.00 0.00 178.00 179.20 1sfy h SER 187 N 0.48 -1.05 0.83 -2.05 4.64 -1.93 -3.19 113.55 111.29 1sfy h SER 187 Ca 0.58 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 1sfy h SER 187 Cb 1.31 0.35 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 1sfy h SER 187 CO -0.31 -0.54 -1.04 -1.54 -0.87 0.00 0.00 176.83 172.53 1sfy n SER 188 N -5.49 0.74 0.00 4.97 3.41 -0.98 -4.96 113.62 111.31 1sfy n SER 188 Ca -0.10 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1sfy n SER 188 Cb 0.39 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 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 1.23 0.68 3.77 5.00 0.00 0.24 -5.02 105.19 111.08 1sfy n GLY 189 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.37 3.53 -0.06 4.61 0.00 -1.17 -4.83 121.76 121.47 1sfy s ALA 190 Ca 0.00 1.36 0.02 0.00 0.00 0.00 0.00 51.96 53.33 1sfy s ALA 190 Cb 0.00 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.61 1sfy s ALA 190 CO 0.00 -0.77 -0.10 0.42 0.00 0.00 0.00 175.76 175.31 1sfy s ILE 191 N -1.00 0.97 0.03 0.00 1.01 -1.26 -1.69 121.20 119.26 1sfy s ILE 191 Ca 0.51 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.85 1sfy s ILE 191 Cb -0.42 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 1sfy s ILE 191 CO 0.55 0.32 -0.19 -0.31 0.00 0.00 0.00 174.94 175.31 1sfy s TYR 192 N 0.79 1.67 -0.02 3.97 2.02 -0.11 -5.00 117.35 120.67 1sfy s TYR 192 Ca -0.13 -0.35 -0.02 0.00 -0.37 0.00 0.00 57.07 56.20 1sfy s TYR 192 Cb -0.15 -1.01 0.01 0.00 -0.40 0.00 0.00 41.96 40.40 1sfy s TYR 192 CO 0.02 0.05 0.06 -0.08 -1.57 0.00 0.00 175.55 174.03 1sfy s THR 193 N -0.71 0.00 0.04 -0.71 -1.32 -1.26 -1.35 115.64 110.33 1sfy s THR 193 Ca 0.06 -0.01 0.02 0.00 -1.21 0.00 0.00 61.69 60.55 1sfy s THR 193 Cb -0.08 -0.10 -0.02 0.00 -1.51 0.00 0.00 72.50 70.79 1sfy s THR 193 CO 0.01 -0.01 -0.08 -0.51 -2.21 0.00 0.00 174.62 171.83 1sfy s ILE 194 N 0.01 0.54 -0.02 5.08 1.10 -0.75 -5.02 121.20 122.15 1sfy s ILE 194 Ca -0.00 -0.94 -0.18 0.00 -0.51 0.00 0.00 60.65 59.01 1sfy s ILE 194 Cb -0.01 -0.58 0.03 0.00 0.15 0.00 0.00 42.46 42.05 1sfy s ILE 194 CO 0.00 -0.29 0.39 0.00 -2.11 0.00 0.00 174.94 172.93 1sfy s ALA 195 N -1.16 -0.98 -0.04 1.50 0.00 -1.26 -1.02 121.76 118.80 1sfy s ALA 195 Ca -0.08 0.52 -0.29 0.00 0.00 0.00 0.00 51.96 52.11 1sfy s ALA 195 Cb -0.09 0.07 0.11 0.00 0.00 0.00 0.00 23.12 23.21 1sfy s ALA 195 CO 0.00 -0.29 0.92 -2.00 0.00 0.00 0.00 175.76 174.40 1sfy s GLU 196 N -1.35 0.76 -0.02 0.00 2.56 -0.91 -5.00 118.70 114.74 1sfy s GLU 196 Ca -0.13 -0.22 -0.26 0.00 0.00 0.00 0.00 54.97 54.36 1sfy s GLU 196 Cb -0.04 0.35 -0.04 0.00 2.00 0.00 0.00 34.13 36.40 1sfy s GLU 196 CO 0.05 -0.32 0.83 0.42 -0.56 0.00 0.00 175.26 175.68 1sfy s ILE 197 N -2.78 4.93 -0.05 -3.70 -1.09 -1.26 -1.22 121.20 116.03 1sfy s ILE 197 Ca 0.04 1.73 -0.02 0.00 -2.23 0.00 0.00 60.65 60.17 1sfy s ILE 197 Cb -0.01 -4.17 0.03 0.00 -1.58 0.00 0.00 42.46 36.73 1sfy s ILE 197 CO -0.07 0.23 0.08 -0.69 -1.23 0.00 0.00 174.94 173.25 1sfy s VAL 198 N 0.78 -0.13 -0.73 2.92 1.01 0.34 -4.95 120.40 119.63 1sfy s VAL 198 Ca 0.44 0.40 -0.20 0.00 0.00 0.00 0.00 61.98 62.63 1sfy s VAL 198 Cb -0.19 -0.17 0.11 0.00 0.00 0.00 0.00 36.38 36.12 1sfy s VAL 198 CO 0.23 0.17 0.91 -0.62 0.00 0.00 0.00 175.10 175.79 1sfy s ASP 199 N 2.13 6.36 0.44 3.32 -1.08 -1.26 -4.60 116.67 121.97 1sfy s ASP 199 Ca 0.04 -1.58 0.13 0.00 -0.52 0.00 0.00 52.55 50.62 1sfy s ASP 199 Cb -0.12 -2.36 1.02 0.00 -1.46 0.00 0.00 42.92 40.00 1sfy s ASP 199 CO -0.04 -1.16 2.01 0.58 0.52 0.00 0.00 175.17 177.09 1sfy h VAL 200 N 5.83 0.95 -0.40 1.11 2.07 -1.97 -1.21 116.25 122.63 1sfy h VAL 200 Ca -0.13 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1sfy h VAL 200 Cb 1.06 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1sfy h VAL 200 CO 1.10 0.07 0.16 0.50 0.02 0.00 0.00 177.57 179.42 1sfy h LYS 201 N 0.40 0.56 0.00 1.57 3.64 -1.89 -0.42 116.57 120.42 1sfy h LYS 201 Ca 0.22 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1sfy h LYS 201 Cb 0.36 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1sfy h LYS 201 CO -0.06 0.47 -0.59 1.96 -2.27 0.00 0.00 179.45 178.96 1sfy h GLN 202 N 0.56 0.00 0.00 1.90 1.08 -1.65 -3.41 115.11 113.59 1sfy h GLN 202 Ca 0.14 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.97 1sfy h GLN 202 Cb 0.12 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.49 1sfy h GLN 202 CO -0.01 0.00 -2.26 0.28 -0.95 0.00 0.00 178.83 175.88 1sfy n VAL 203 N -2.25 1.25 -3.98 -0.54 0.31 -0.93 -5.05 118.33 107.13 1sfy n VAL 203 Ca 0.03 -0.36 -0.21 0.00 -0.01 0.00 0.00 64.34 63.79 1sfy n VAL 203 Cb 0.46 -1.67 -0.03 0.00 -0.91 0.00 0.00 33.84 31.69 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 -6.99 4.06 0.72 7.52 1.43 -0.21 -4.34 118.68 120.87 1sfy s LEU 204 Ca -0.31 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 1sfy s LEU 204 Cb 0.11 -2.62 0.02 0.00 0.03 0.00 0.00 46.19 43.73 1sfy s LEU 204 CO 0.42 -0.10 1.10 -2.16 0.23 0.00 0.00 176.35 175.85 1sfy s PRO 205 N -3.94 2.75 0.35 1.29 0.04 -1.26 -4.76 135.00 129.46 1sfy s PRO 205 Ca 0.35 0.45 0.08 0.00 0.04 0.00 0.00 61.00 61.91 1sfy s PRO 205 Cb -0.08 -2.01 0.78 0.00 0.04 0.00 0.00 34.50 33.22 1sfy s PRO 205 CO 0.27 -1.11 1.88 0.93 0.04 0.00 0.00 177.00 179.02 1sfy h GLU 206 N -0.71 0.71 -6.13 4.56 5.08 -1.96 -3.41 114.58 112.72 1sfy h GLU 206 Ca -0.45 -0.04 -0.69 0.00 -1.00 0.00 0.00 59.36 57.18 1sfy h GLU 206 Cb 1.26 -0.16 -0.27 0.00 0.50 0.00 0.00 28.75 30.08 1sfy h GLU 206 CO 0.64 0.47 -0.81 -1.58 -1.00 0.00 0.00 179.01 176.73 1sfy s TRP 207 N -5.70 2.61 0.16 4.33 0.52 -1.26 -0.69 118.94 118.91 1sfy s TRP 207 Ca -0.10 -0.40 -0.00 0.00 0.02 0.00 0.00 56.10 55.62 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 0.00 0.06 0.14 0.02 0.00 0.00 176.95 177.95 1sfy s VAL 208 N -0.41 0.29 -0.10 4.03 -7.23 -0.50 -4.29 120.40 112.19 1sfy s VAL 208 Ca 0.04 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.24 1sfy s VAL 208 Cb -0.12 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1sfy s VAL 208 CO 0.02 -0.36 -0.01 -1.81 -0.31 0.00 0.00 175.10 172.63 1sfy s ASP 209 N -3.12 5.12 -0.05 4.85 1.01 -0.14 -0.58 116.67 123.76 1sfy s ASP 209 Ca 0.27 0.08 0.01 0.00 0.71 0.00 0.00 52.55 53.62 1sfy s ASP 209 Cb 0.07 -1.51 -0.03 0.00 1.01 0.00 0.00 42.92 42.45 1sfy s ASP 209 CO 0.05 0.33 -0.05 0.68 0.21 0.00 0.00 175.17 176.40 1sfy s VAL 210 N -0.61 3.86 0.27 -1.27 -7.23 -1.26 -2.32 120.40 111.85 1sfy s VAL 210 Ca 0.10 -0.52 -0.19 0.00 -1.81 0.00 0.00 61.98 59.56 1sfy s VAL 210 Cb -0.12 -2.63 0.07 0.00 0.56 0.00 0.00 36.38 34.26 1sfy s VAL 210 CO 0.02 0.53 0.95 -0.83 -0.31 0.00 0.00 175.10 175.46 1sfy s GLY 211 N -1.05 0.25 0.05 2.32 0.00 -0.49 -1.57 107.32 106.83 1sfy s GLY 211 Ca 0.15 -0.54 0.08 0.00 0.00 0.00 0.00 44.72 44.40 1sfy s GLY 211 CO 0.04 1.62 -0.21 1.08 0.00 0.00 0.00 173.10 175.62 1sfy s LEU 212 N -3.32 2.18 -0.01 0.66 1.43 -0.05 -0.73 118.68 118.83 1sfy s LEU 212 Ca 0.20 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1sfy s LEU 212 Cb -0.04 -1.01 -0.00 0.00 0.03 0.00 0.00 46.19 45.17 1sfy s LEU 212 CO 0.08 0.16 0.06 -0.55 0.23 0.00 0.00 176.35 176.34 1sfy s SER 213 N -1.25 0.04 0.05 2.29 0.15 -0.20 -0.79 113.70 114.00 1sfy s SER 213 Ca 0.08 -0.14 -0.03 0.00 0.70 0.00 0.00 55.95 56.56 1sfy s SER 213 Cb -0.09 0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.35 1sfy s SER 213 CO 0.02 -0.20 0.03 -0.83 1.20 0.00 0.00 173.24 173.46 1sfy s GLY 214 N -0.79 0.31 -0.14 9.45 0.00 -0.17 -0.17 107.32 115.81 1sfy s GLY 214 Ca -0.09 -0.89 -0.23 0.00 0.00 0.00 0.00 44.72 43.52 1sfy s GLY 214 CO 0.00 -1.01 0.57 0.00 0.00 0.00 0.00 173.10 172.67 1sfy s ALA 215 N -3.28 -1.45 0.38 3.20 0.00 -0.75 -2.02 121.76 117.84 1sfy s ALA 215 Ca 0.01 1.36 0.08 0.00 0.00 0.00 0.00 51.96 53.41 1sfy s ALA 215 Cb 0.03 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1sfy s ALA 215 CO -0.08 -0.30 0.38 0.95 0.00 0.00 0.00 175.76 176.71 1sfy s THR 216 N -0.38 3.14 1.11 0.00 -4.23 0.07 0.11 115.64 115.46 1sfy s THR 216 Ca -0.05 -1.28 -0.16 0.00 -1.18 0.00 0.00 61.69 59.02 1sfy s THR 216 Cb -0.03 -3.10 0.16 0.00 1.34 0.00 0.00 72.50 70.87 1sfy s THR 216 CO 0.04 -0.08 0.42 0.61 -0.54 0.00 0.00 174.62 175.08 1sfy n GLY 217 N -1.54 -2.19 0.28 3.99 0.00 0.19 -4.00 105.19 101.92 1sfy n GLY 217 Ca 0.02 -0.90 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 3.00 -2.72 4.61 0.00 -1.26 0.19 120.51 119.83 1sfy n ALA 218 Ca 0.03 -0.41 -0.15 0.00 0.00 0.00 0.00 53.44 52.91 1sfy n ALA 218 Cb 0.58 -1.14 -0.11 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.42 0.70 0.06 0.00 -2.07 -1.26 -4.92 119.66 109.75 1sfy s GLN 219 Ca 0.26 -0.92 -0.36 0.00 -1.82 0.00 0.00 55.36 52.53 1sfy s GLN 219 Cb 0.19 -0.53 -0.19 0.00 -1.09 0.00 0.00 33.01 31.39 1sfy s GLN 219 CO 0.49 0.10 0.90 -2.13 -1.32 0.00 0.00 175.29 173.33 1sfy n ARG 220 N 1.19 0.00 -0.93 9.60 0.63 -1.26 -1.34 116.66 124.54 1sfy n ARG 220 Ca -0.21 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.72 1sfy n ARG 220 Cb 0.55 -1.33 0.00 0.00 0.45 0.00 0.00 32.46 32.13 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 1.62 -4.76 -3.63 6.15 8.00 -1.26 -4.64 116.55 118.02 1sfy n ASP 221 Ca 0.19 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.28 1sfy n ASP 221 Cb 0.13 -2.97 -0.00 0.00 -0.02 0.00 0.00 41.12 38.26 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 1.00 6.22 -2.28 2.24 0.00 -0.45 -4.36 120.51 122.88 1sfy n ALA 222 Ca 0.00 -4.07 -0.17 0.00 0.00 0.00 0.00 53.44 49.21 1sfy n ALA 222 Cb 0.37 -3.04 -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 0.46 1.67 0.16 0.00 0.00 -1.26 0.53 121.76 123.31 1sfy s ALA 223 Ca 0.50 -1.82 -0.25 0.00 0.00 0.00 0.00 51.96 50.40 1sfy s ALA 223 Cb 0.14 1.30 0.07 0.00 0.00 0.00 0.00 23.12 24.63 1sfy s ALA 223 CO -0.05 -0.57 0.97 -1.83 0.00 0.00 0.00 175.76 174.28 1sfy s GLU 224 N -3.85 1.21 0.45 0.00 -1.05 -1.24 -4.37 118.70 109.85 1sfy s GLU 224 Ca 0.38 -0.68 -0.01 0.00 -0.15 0.00 0.00 54.97 54.51 1sfy s GLU 224 Cb 0.05 0.40 -0.01 0.00 -0.44 0.00 0.00 34.13 34.13 1sfy s GLU 224 CO 0.18 -0.56 0.69 0.95 0.95 0.00 0.00 175.26 177.47 1sfy s THR 225 N -3.15 4.28 -0.42 1.83 -4.23 -0.47 -4.80 115.64 108.68 1sfy s THR 225 Ca 0.13 -0.35 0.06 0.00 -1.18 0.00 0.00 61.69 60.36 1sfy s THR 225 Cb -0.01 -3.60 0.22 0.00 1.34 0.00 0.00 72.50 70.45 1sfy s THR 225 CO 0.03 -0.46 0.54 1.41 -0.54 0.00 0.00 174.62 175.60 1sfy n HIS 226 N -2.10 -1.28 -3.64 3.99 -0.00 -1.26 -3.88 115.22 107.06 1sfy n HIS 226 Ca 0.00 -3.03 -0.37 0.00 -0.00 0.00 0.00 57.72 54.32 1sfy n HIS 226 Cb 0.57 0.27 -0.06 0.00 -0.00 0.00 0.00 29.99 30.77 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 -0.70 6.56 -0.10 0.41 1.01 -0.98 -1.90 116.67 120.98 1sfy s ASP 227 Ca 0.34 0.67 0.04 0.00 0.71 0.00 0.00 52.55 54.30 1sfy s ASP 227 Cb 0.12 -2.17 -0.01 0.00 1.01 0.00 0.00 42.92 41.88 1sfy s ASP 227 CO -0.15 0.29 -0.22 -0.69 0.21 0.00 0.00 175.17 174.61 1sfy s VAL 228 N -0.61 2.26 -0.12 -1.27 1.01 0.12 -1.29 120.40 120.50 1sfy s VAL 228 Ca 0.19 -0.96 0.18 0.00 0.00 0.00 0.00 61.98 61.39 1sfy s VAL 228 Cb -0.14 -1.87 -0.26 0.00 0.00 0.00 0.00 36.38 34.11 1sfy s VAL 228 CO 0.07 0.56 0.20 -1.22 0.00 0.00 0.00 175.10 174.71 1sfy n TYR 229 N 3.38 0.00 -3.49 5.22 4.01 0.24 -1.30 117.16 125.22 1sfy n TYR 229 Ca -0.18 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.44 1sfy n TYR 229 Cb 0.53 -0.74 -0.03 0.00 -0.31 0.00 0.00 39.34 38.79 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 -4.89 -0.47 -0.29 7.72 1.04 -1.24 -4.01 113.70 111.57 1sfy s SER 230 Ca -0.08 -0.07 -0.15 0.00 0.48 0.00 0.00 55.95 56.13 1sfy s SER 230 Cb 0.08 0.56 0.12 0.00 0.10 0.00 0.00 66.02 66.88 1sfy s SER 230 CO 0.78 -0.92 0.81 0.86 0.98 0.00 0.00 173.24 175.74 1sfy s TRP 231 N -3.67 -0.93 0.10 5.02 -0.00 -0.82 -2.47 118.94 116.18 1sfy s TRP 231 Ca 0.01 1.76 0.04 0.00 -0.00 0.00 0.00 56.10 57.91 1sfy s TRP 231 Cb -0.00 0.56 -0.04 0.00 -0.00 0.00 0.00 33.47 33.99 1sfy s TRP 231 CO -0.12 -0.46 -0.12 -1.54 -0.00 0.00 0.00 176.95 174.72 1sfy s SER 232 N 1.92 1.62 -0.03 5.86 1.04 0.96 -0.93 113.70 124.15 1sfy s SER 232 Ca -0.08 -0.79 -0.13 0.00 0.48 0.00 0.00 55.95 55.44 1sfy s SER 232 Cb -0.06 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.06 1sfy s SER 232 CO -0.18 -0.21 0.28 0.12 0.98 0.00 0.00 173.24 174.24 1sfy s PHE 233 N -2.21 -0.18 -0.17 5.02 5.36 -0.53 -1.40 117.98 123.88 1sfy s PHE 233 Ca 0.05 0.31 -0.14 0.00 -0.96 0.00 0.00 56.93 56.20 1sfy s PHE 233 Cb -0.04 0.08 0.05 0.00 -0.34 0.00 0.00 43.02 42.76 1sfy s PHE 233 CO 0.01 -0.33 0.44 -1.14 -1.46 0.00 0.00 175.22 172.73 1sfy s GLN 234 N -1.07 0.48 0.01 10.12 0.74 -0.52 -2.04 119.66 127.39 1sfy s GLN 234 Ca -0.11 0.68 0.00 0.00 0.05 0.00 0.00 55.36 55.98 1sfy s GLN 234 Cb -0.05 0.17 -0.01 0.00 1.10 0.00 0.00 33.01 34.22 1sfy s GLN 234 CO 0.03 -0.09 -0.02 0.00 -0.55 0.00 0.00 175.29 174.66 1sfy s ALA 235 N 0.61 0.10 -0.14 1.58 0.00 -0.82 -1.49 121.76 121.59 1sfy s ALA 235 Ca -0.03 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 51.56 1sfy s ALA 235 Cb -0.05 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.20 1sfy s ALA 235 CO -0.04 -0.08 0.05 -1.12 0.00 0.00 0.00 175.76 174.58 1sfy s SER 236 N -0.81 2.24 -0.44 0.00 0.01 -0.50 -2.81 113.70 111.39 1sfy s SER 236 Ca -0.08 -0.50 -0.13 0.00 1.31 0.00 0.00 55.95 56.54 1sfy s SER 236 Cb -0.06 -0.38 0.06 0.00 0.21 0.00 0.00 66.02 65.86 1sfy s SER 236 CO -0.00 -0.30 0.33 -0.22 0.41 0.00 0.00 173.24 173.46 1sfy s LEU 237 N 2.02 5.36 0.75 2.44 0.20 -0.64 -2.19 118.68 126.64 1sfy s LEU 237 Ca 0.02 -1.29 -0.12 0.00 0.69 0.00 0.00 54.13 53.43 1sfy s LEU 237 Cb -0.15 -2.12 0.05 0.00 -0.43 0.00 0.00 46.19 43.54 1sfy s LEU 237 CO -0.07 -0.57 1.10 -2.16 -0.29 0.00 0.00 176.35 174.36 1sfy s PRO 238 N 1.58 2.29 0.00 0.98 0.04 -1.26 -1.48 135.00 137.15 1sfy s PRO 238 Ca 0.04 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1sfy s PRO 238 Cb -0.23 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1sfy s PRO 238 CO 0.06 -1.63 0.00 0.39 0.04 0.00 0.00 177.00 175.86