#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 4.59 -0.00 5.55 -1.05 -0.98 -4.82 118.70 121.99 1sfy s GLU 2 Ca 0.00 1.67 0.04 0.00 -0.15 0.00 0.00 54.97 56.53 1sfy s GLU 2 Cb 0.00 -3.31 -0.01 0.00 -0.44 0.00 0.00 34.13 30.37 1sfy s GLU 2 CO 0.00 0.06 -0.14 0.99 0.95 0.00 0.00 175.26 177.12 1sfy s THR 3 N -0.03 1.11 0.05 1.83 2.01 -1.26 -1.30 115.64 118.05 1sfy s THR 3 Ca 0.50 -0.65 0.09 0.00 0.31 0.00 0.00 61.69 61.94 1sfy s THR 3 Cb -0.28 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 1sfy s THR 3 CO 0.33 0.28 -0.25 -0.51 -0.69 0.00 0.00 174.62 173.78 1sfy s ILE 4 N -0.39 2.02 -0.29 1.82 1.10 -0.97 -5.01 121.20 119.48 1sfy s ILE 4 Ca 0.05 -1.37 -0.16 0.00 -0.51 0.00 0.00 60.65 58.65 1sfy s ILE 4 Cb -0.06 -1.74 0.12 0.00 0.15 0.00 0.00 42.46 40.93 1sfy s ILE 4 CO -0.00 0.29 0.87 -0.55 -2.11 0.00 0.00 174.94 173.44 1sfy s SER 5 N -1.30 -0.67 0.04 4.50 0.15 -1.26 -2.21 113.70 112.94 1sfy s SER 5 Ca 0.11 1.08 -0.01 0.00 0.70 0.00 0.00 55.95 57.82 1sfy s SER 5 Cb -0.10 1.27 -0.03 0.00 -1.71 0.00 0.00 66.02 65.46 1sfy s SER 5 CO 0.02 -0.17 -0.01 0.72 1.20 0.00 0.00 173.24 175.00 1sfy s PHE 6 N 1.42 0.37 -0.28 3.44 -0.12 -0.90 -5.01 117.98 116.90 1sfy s PHE 6 Ca -0.09 -0.78 0.02 0.00 -0.05 0.00 0.00 56.93 56.03 1sfy s PHE 6 Cb -0.04 -0.28 0.17 0.00 -0.63 0.00 0.00 43.02 42.24 1sfy s PHE 6 CO -0.16 -0.31 0.46 0.45 -0.05 0.00 0.00 175.22 175.61 1sfy s SER 7 N -2.24 -0.27 -0.45 1.98 0.15 -1.26 -0.80 113.70 110.81 1sfy s SER 7 Ca -0.04 -0.06 -0.16 0.00 0.70 0.00 0.00 55.95 56.40 1sfy s SER 7 Cb -0.00 1.42 0.05 0.00 -1.71 0.00 0.00 66.02 65.78 1sfy s SER 7 CO -0.06 -0.33 0.40 -0.36 1.20 0.00 0.00 173.24 174.10 1sfy s PHE 8 N 2.64 3.21 0.34 3.44 0.08 0.21 -4.91 117.98 122.99 1sfy s PHE 8 Ca 0.11 -0.71 0.20 0.00 0.12 0.00 0.00 56.93 56.65 1sfy s PHE 8 Cb -0.12 -3.01 1.01 0.00 -0.57 0.00 0.00 43.02 40.33 1sfy s PHE 8 CO -0.26 -0.75 1.91 0.77 -0.10 0.00 0.00 175.22 176.78 1sfy h SER 9 N 8.74 0.00 -5.05 1.36 0.02 -1.88 -2.04 113.55 114.71 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 -0.07 0.00 0.14 0.00 0.00 62.40 63.58 1sfy h SER 9 CO 0.83 0.26 0.14 -1.83 -1.14 0.00 0.00 176.83 175.09 1sfy s GLU 10 N -4.08 1.63 -0.06 3.45 -1.05 -1.25 -4.49 118.70 112.85 1sfy s GLU 10 Ca -0.02 -0.96 -0.04 0.00 -0.15 0.00 0.00 54.97 53.80 1sfy s GLU 10 Cb 0.13 0.57 -0.04 0.00 -0.44 0.00 0.00 34.13 34.35 1sfy s GLU 10 CO 0.66 -0.73 0.12 -0.06 0.95 0.00 0.00 175.26 176.20 1sfy s PHE 11 N -3.91 3.46 -0.18 4.83 0.08 -0.07 -4.99 117.98 117.20 1sfy s PHE 11 Ca 0.12 0.37 -0.01 0.00 0.12 0.00 0.00 56.93 57.52 1sfy s PHE 11 Cb -0.04 -1.85 -0.00 0.00 -0.57 0.00 0.00 43.02 40.57 1sfy s PHE 11 CO 0.04 0.64 -0.12 -2.00 -0.10 0.00 0.00 175.22 173.67 1sfy s GLU 12 N -1.41 3.24 0.41 0.44 2.12 -1.26 -4.02 118.70 118.22 1sfy s GLU 12 Ca 0.20 -0.72 -0.26 0.00 0.36 0.00 0.00 54.97 54.55 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 -0.08 1.35 -2.30 -0.54 0.00 0.00 175.26 173.78 1sfy n PRO 13 N 4.37 2.16 -0.99 4.30 -0.02 -1.26 -2.31 135.00 141.25 1sfy n PRO 13 Ca -0.19 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1sfy n PRO 13 Cb 0.51 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 0.69 0.55 3.73 -1.23 0.00 -1.26 -5.00 105.19 102.67 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 -2.19 6.73 0.23 1.61 3.84 -0.98 -4.93 114.94 119.26 1sfy s ASN 15 Ca 0.00 2.51 0.06 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 -0.69 1.54 0.44 -2.79 0.00 0.00 177.10 175.60 1sfy h ASP 16 N 6.04 0.17 0.00 -4.21 3.32 -1.94 -3.24 116.42 116.57 1sfy h ASP 16 Ca -0.44 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1sfy h ASP 16 Cb 1.21 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1sfy h ASP 16 CO 0.84 0.79 0.00 0.59 -1.72 0.00 0.00 179.24 179.73 1sfy n ASN 17 N -3.80 0.00 -4.12 6.45 5.03 -1.26 -4.70 115.26 112.86 1sfy n ASN 17 Ca -0.02 -0.98 -0.29 0.00 0.87 0.00 0.00 54.58 54.15 1sfy n ASN 17 Cb 0.66 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 39.25 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 -1.64 1.88 -0.29 3.41 1.02 -1.22 0.21 118.68 122.05 1sfy s LEU 18 Ca 0.22 -0.47 -0.08 0.00 0.02 0.00 0.00 54.13 53.81 1sfy s LEU 18 Cb 0.10 -1.19 -0.01 0.00 0.02 0.00 0.00 46.19 45.11 1sfy s LEU 18 CO 0.17 0.07 0.11 -0.89 0.02 0.00 0.00 176.35 175.83 1sfy s THR 19 N 0.71 4.40 -0.13 5.49 2.01 0.25 -4.88 115.64 123.49 1sfy s THR 19 Ca -0.12 -0.40 -0.13 0.00 0.31 0.00 0.00 61.69 61.35 1sfy s THR 19 Cb -0.16 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 1sfy s THR 19 CO 0.02 0.15 0.30 -0.76 -0.69 0.00 0.00 174.62 173.64 1sfy s LEU 20 N 1.59 4.29 0.15 4.42 1.02 -1.26 -1.17 118.68 127.72 1sfy s LEU 20 Ca 0.05 0.57 0.07 0.00 0.02 0.00 0.00 54.13 54.84 1sfy s LEU 20 Cb -0.16 -2.38 -0.04 0.00 0.02 0.00 0.00 46.19 43.63 1sfy s LEU 20 CO 0.05 0.16 -0.16 -1.10 0.02 0.00 0.00 176.35 175.31 1sfy s GLN 21 N 0.12 1.19 5.42 1.70 -0.21 -0.06 -4.99 119.66 122.83 1sfy s GLN 21 Ca 0.17 -1.36 0.00 0.00 0.02 0.00 0.00 55.36 54.19 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 0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.86 1sfy n GLY 22 N 0.33 2.52 0.19 3.09 0.00 -1.26 -1.93 105.19 108.14 1sfy n GLY 22 Ca -0.14 -0.42 0.14 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.98 1.00 -1.01 4.61 0.00 -1.09 -3.47 119.26 118.33 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 0.08 0.00 0.00 0.00 0.00 17.79 17.87 1sfy h ALA 23 CO 0.00 0.00 -0.19 0.45 0.00 0.00 0.00 179.25 179.51 1sfy n SER 24 N -2.60 -0.52 -3.63 0.00 2.88 -1.02 -4.64 113.62 104.09 1sfy n SER 24 Ca 0.01 1.15 -0.15 0.00 -1.33 0.00 0.00 58.87 58.55 1sfy n SER 24 Cb 0.26 -0.94 -0.07 0.00 -0.75 0.00 0.00 64.21 62.71 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 1.29 -0.21 -0.19 2.46 0.20 -0.56 -4.70 118.68 116.98 1sfy s LEU 25 Ca 0.79 0.78 -0.04 0.00 0.69 0.00 0.00 54.13 56.35 1sfy s LEU 25 Cb -1.12 2.09 -0.02 0.00 -0.43 0.00 0.00 46.19 46.71 1sfy s LEU 25 CO 0.57 -0.42 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.54 1sfy s ILE 26 N -0.64 3.70 0.68 6.68 1.01 -1.26 0.04 121.20 131.41 1sfy s ILE 26 Ca -0.07 -0.40 -0.11 0.00 0.00 0.00 0.00 60.65 60.06 1sfy s ILE 26 Cb -0.03 -2.66 -0.00 0.00 0.01 0.00 0.00 42.46 39.78 1sfy s ILE 26 CO 0.05 0.45 1.07 0.42 0.00 0.00 0.00 174.94 176.93 1sfy s THR 27 N 0.93 3.95 0.23 2.92 -4.23 -0.21 -4.78 115.64 114.44 1sfy s THR 27 Ca 0.00 0.63 0.30 0.00 -1.18 0.00 0.00 61.69 61.45 1sfy s THR 27 Cb -0.15 -3.61 0.33 0.00 1.34 0.00 0.00 72.50 70.41 1sfy s THR 27 CO 0.01 -0.83 1.99 1.56 -0.54 0.00 0.00 174.62 176.81 1sfy h GLN 28 N -0.54 0.00 0.00 3.99 1.08 -1.94 -1.84 115.11 115.86 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 1.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 1sfy h GLN 28 CO 0.63 0.10 0.00 -1.13 -0.95 0.00 0.00 178.83 177.47 1sfy n SER 29 N -3.30 0.00 0.00 1.46 3.41 -1.26 -4.89 113.62 109.04 1sfy n SER 29 Ca -0.00 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 1sfy n SER 29 Cb 0.31 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.82 0.77 3.68 5.00 0.00 -0.69 -4.95 105.19 109.82 1sfy n GLY 30 Ca 0.21 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 4.19 -0.38 1.61 0.11 -1.26 -0.89 120.40 121.79 1sfy s VAL 31 Ca 0.00 -0.51 -0.18 0.00 -2.93 0.00 0.00 61.98 58.36 1sfy s VAL 31 Cb 0.00 -2.84 0.00 0.00 -1.53 0.00 0.00 36.38 32.01 1sfy s VAL 31 CO 0.00 0.44 0.51 -0.22 -3.33 0.00 0.00 175.10 172.50 1sfy s LEU 32 N -1.38 4.46 -0.52 2.54 2.96 -0.31 -1.05 118.68 125.38 1sfy s LEU 32 Ca 0.18 -0.20 -0.16 0.00 -0.22 0.00 0.00 54.13 53.73 1sfy s LEU 32 Cb -0.11 -2.56 0.11 0.00 0.50 0.00 0.00 46.19 44.12 1sfy s LEU 32 CO 0.08 -0.54 0.47 -1.10 -1.32 0.00 0.00 176.35 173.95 1sfy s GLN 33 N 2.40 2.99 0.14 1.98 -0.21 0.11 -0.46 119.66 126.60 1sfy s GLN 33 Ca 0.18 -1.56 -0.16 0.00 0.02 0.00 0.00 55.36 53.84 1sfy s GLN 33 Cb -0.16 -4.24 0.00 0.00 1.00 0.00 0.00 33.01 29.62 1sfy s GLN 33 CO 0.14 -1.23 1.72 -0.07 -2.12 0.00 0.00 175.29 173.73 1sfy h LEU 34 N 8.90 0.52 -9.50 2.90 3.38 -1.61 -1.48 115.31 118.42 1sfy h LEU 34 Ca -0.29 -0.12 -0.61 0.00 0.09 0.00 0.00 57.88 56.94 1sfy h LEU 34 Cb 1.10 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.61 1sfy h LEU 34 CO 0.99 0.50 -0.66 0.42 0.09 0.00 0.00 178.44 179.78 1sfy s THR 35 N -5.72 3.76 0.37 0.22 -4.23 -1.26 -2.48 115.64 106.30 1sfy s THR 35 Ca -0.13 -1.37 -0.28 0.00 -1.18 0.00 0.00 61.69 58.73 1sfy s THR 35 Cb 0.10 -2.88 -0.11 0.00 1.34 0.00 0.00 72.50 70.95 1sfy s THR 35 CO 0.74 -0.08 1.50 1.17 -0.54 0.00 0.00 174.62 177.41 1sfy n LYS 36 N -0.04 2.69 -4.48 3.99 4.81 -1.26 -4.79 118.16 119.07 1sfy n LYS 36 Ca -0.10 0.94 -0.31 0.00 -0.87 0.00 0.00 58.31 57.98 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 -1.04 1.84 1.13 3.15 1.01 -1.26 -1.31 121.20 124.72 1sfy s ILE 37 Ca 0.54 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 1sfy s ILE 37 Cb -0.47 -1.65 0.25 0.00 0.01 0.00 0.00 42.46 40.60 1sfy s ILE 37 CO 0.63 0.51 1.07 0.20 0.00 0.00 0.00 174.94 177.35 1sfy s ASN 38 N 0.99 1.45 0.58 3.58 0.01 0.16 -4.86 114.94 116.85 1sfy s ASN 38 Ca -0.04 1.03 0.36 0.00 -0.71 0.00 0.00 52.86 53.50 1sfy s ASN 38 Cb -0.15 -1.57 1.67 0.00 0.41 0.00 0.00 41.25 41.61 1sfy s ASN 38 CO -0.04 -3.84 2.10 1.56 -1.51 0.00 0.00 177.10 175.37 1sfy h GLN 39 N -2.38 0.00 -0.42 -0.60 4.20 -2.01 0.06 115.11 113.97 1sfy h GLN 39 Ca -0.53 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.18 1sfy h GLN 39 Cb 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 1sfy h GLN 39 CO 0.47 0.02 0.00 0.27 -0.67 0.00 0.00 178.83 178.92 1sfy n ASN 40 N -3.13 1.95 0.00 1.46 6.94 -1.26 -4.89 115.26 116.32 1sfy n ASN 40 Ca -0.01 -2.08 0.00 0.00 -0.02 0.00 0.00 54.58 52.47 1sfy n ASN 40 Cb 0.24 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 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 0.85 0.62 3.84 4.83 0.00 0.01 -5.01 105.19 110.33 1sfy n GLY 41 Ca 0.11 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 -0.36 3.19 0.24 1.61 -1.94 -1.26 -4.75 119.30 116.04 1sfy s MET 42 Ca 0.00 -0.49 -0.31 0.00 -1.71 0.00 0.00 55.69 53.17 1sfy s MET 42 Cb 0.00 -2.92 -0.13 0.00 2.01 0.00 0.00 34.83 33.79 1sfy s MET 42 CO 0.00 0.62 1.48 -0.35 -0.01 0.00 0.00 175.02 176.76 1sfy n PRO 43 N 0.71 2.21 -3.48 2.03 -0.04 -1.26 -0.67 135.00 134.50 1sfy n PRO 43 Ca -0.09 0.79 -0.34 0.00 -0.04 0.00 0.00 63.50 63.82 1sfy n PRO 43 Cb 0.52 -2.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.43 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 0.14 3.65 0.70 0.55 0.00 -0.43 -4.77 121.76 121.60 1sfy s ALA 44 Ca 0.69 -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 20.22 1sfy s ALA 44 CO 0.47 0.53 0.98 1.67 0.00 0.00 0.00 175.76 179.41 1sfy s TRP 45 N -1.55 2.32 -1.32 0.00 1.48 -1.26 -4.43 118.94 114.18 1sfy s TRP 45 Ca 0.39 0.07 -0.02 0.00 -1.06 0.00 0.00 56.10 55.48 1sfy s TRP 45 Cb -0.13 -3.11 -0.00 0.00 -1.16 0.00 0.00 33.47 29.07 1sfy s TRP 45 CO 0.20 -1.50 0.63 -3.47 -4.06 0.00 0.00 176.95 168.75 1sfy n ASP 46 N -2.83 -1.32 -4.14 -2.66 2.03 0.14 -4.93 116.55 102.84 1sfy n ASP 46 Ca 0.11 -0.88 -0.22 0.00 0.52 0.00 0.00 54.79 54.32 1sfy n ASP 46 Cb 0.60 -3.76 -0.14 0.00 -0.72 0.00 0.00 41.12 37.11 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 -4.29 1.76 -0.05 1.67 0.15 -1.26 -4.97 113.70 106.72 1sfy s SER 47 Ca 0.04 -0.39 -0.03 0.00 0.70 0.00 0.00 55.95 56.28 1sfy s SER 47 Cb -0.01 -0.15 0.02 0.00 -1.71 0.00 0.00 66.02 64.17 1sfy s SER 47 CO 0.84 0.10 0.11 -0.89 1.20 0.00 0.00 173.24 174.59 1sfy s THR 48 N -0.65 -0.03 -0.03 6.45 2.01 -1.26 -0.57 115.64 121.56 1sfy s THR 48 Ca 0.04 0.09 -0.17 0.00 0.31 0.00 0.00 61.69 61.96 1sfy s THR 48 Cb -0.07 -0.17 0.03 0.00 0.01 0.00 0.00 72.50 72.30 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 0.59 -0.23 0.08 4.40 0.00 -0.84 -0.61 107.32 110.71 1sfy s GLY 49 Ca -0.04 0.55 -0.03 0.00 0.00 0.00 0.00 44.72 45.19 1sfy s GLY 49 CO -0.02 0.32 0.06 0.50 0.00 0.00 0.00 173.10 173.96 1sfy s ARG 50 N -1.16 0.77 -0.02 2.90 0.52 -0.81 -0.95 118.95 120.19 1sfy s ARG 50 Ca -0.12 -1.20 -0.00 0.00 -0.52 0.00 0.00 55.73 53.89 1sfy s ARG 50 Cb -0.04 0.26 0.03 0.00 0.52 0.00 0.00 34.95 35.71 1sfy s ARG 50 CO 0.05 -0.20 0.03 0.99 0.02 0.00 0.00 175.30 176.19 1sfy s THR 51 N -3.94 -0.06 0.08 0.02 2.01 0.12 -0.88 115.64 112.99 1sfy s THR 51 Ca 0.11 0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.40 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 -0.07 0.09 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.98 1sfy s LEU 52 N 1.05 2.25 0.09 4.42 1.02 -0.32 -0.64 118.68 126.56 1sfy s LEU 52 Ca -0.09 -0.62 -0.30 0.00 0.02 0.00 0.00 54.13 53.14 1sfy s LEU 52 Cb -0.13 -0.90 -0.06 0.00 0.02 0.00 0.00 46.19 45.12 1sfy s LEU 52 CO -0.03 0.09 1.17 -0.47 0.02 0.00 0.00 176.35 177.13 1sfy s TYR 53 N -1.03 3.48 0.13 0.29 5.04 -0.54 -0.58 117.35 124.14 1sfy s TYR 53 Ca 0.06 1.40 0.31 0.00 -2.44 0.00 0.00 57.07 56.40 1sfy s TYR 53 Cb -0.10 -3.38 1.66 0.00 0.35 0.00 0.00 41.96 40.50 1sfy s TYR 53 CO 0.03 -1.06 1.95 0.00 -1.34 0.00 0.00 175.55 175.13 1sfy h ALA 54 N 6.30 1.00 -3.34 3.97 0.00 -0.54 -3.42 119.26 123.24 1sfy h ALA 54 Ca -0.42 0.00 -0.65 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 0.00 179.25 179.54 1sfy s LYS 55 N -3.78 3.49 0.58 0.00 1.02 -1.26 -5.05 119.74 114.74 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 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 1sfy s LYS 55 CO 0.30 0.38 1.06 -1.25 -0.92 0.00 0.00 175.35 174.92 1sfy s PRO 56 N -0.01 3.37 -0.04 -1.68 0.04 -1.26 -4.79 135.00 130.63 1sfy s PRO 56 Ca 0.02 1.26 0.05 0.00 0.04 0.00 0.00 61.00 62.38 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 -0.20 0.14 0.04 0.00 0.00 177.00 176.23 1sfy s VAL 57 N -2.33 2.52 -0.66 -0.36 -7.23 0.15 -4.91 120.40 107.57 1sfy s VAL 57 Ca 0.65 -0.92 -0.27 0.00 -1.81 0.00 0.00 61.98 59.63 1sfy s VAL 57 Cb -0.17 -1.94 0.03 0.00 0.56 0.00 0.00 36.38 34.87 1sfy s VAL 57 CO 0.34 0.58 1.19 -2.28 -0.31 0.00 0.00 175.10 174.62 1sfy s HIS 58 N -0.54 2.47 -0.06 2.82 2.46 -1.26 -1.48 115.29 119.70 1sfy s HIS 58 Ca 0.07 0.08 0.14 0.00 0.47 0.00 0.00 55.06 55.82 1sfy s HIS 58 Cb -0.11 -4.51 -0.15 0.00 -0.13 0.00 0.00 32.58 27.67 1sfy s HIS 58 CO 0.01 -1.81 0.92 0.97 -2.47 0.00 0.00 174.74 172.37 1sfy h ILE 59 N 6.07 0.86 -2.19 0.89 6.09 -1.30 -3.45 117.51 124.49 1sfy h ILE 59 Ca -0.27 -2.50 0.02 0.00 -1.37 0.00 0.00 64.86 60.75 1sfy h ILE 59 Cb 1.06 2.35 -0.17 0.00 0.47 0.00 0.00 36.82 40.52 1sfy h ILE 59 CO 1.22 0.49 0.35 -1.66 -3.07 0.00 0.00 178.15 175.49 1sfy s TRP 60 N -2.78 -0.49 -0.19 2.19 1.48 -1.18 0.13 118.94 118.10 1sfy s TRP 60 Ca -0.02 0.61 -0.01 0.00 -1.06 0.00 0.00 56.10 55.63 1sfy s TRP 60 Cb 0.08 0.48 0.01 0.00 -1.16 0.00 0.00 33.47 32.89 1sfy s TRP 60 CO 0.81 -0.58 -0.14 0.34 -4.06 0.00 0.00 176.95 173.31 1sfy s ASP 61 N -1.83 3.58 0.35 -2.66 2.15 -0.14 -4.51 116.67 113.61 1sfy s ASP 61 Ca -0.02 -0.55 0.11 0.00 0.43 0.00 0.00 52.55 52.52 1sfy s ASP 61 Cb -0.01 -1.58 0.66 0.00 -0.30 0.00 0.00 42.92 41.70 1sfy s ASP 61 CO -0.02 -0.00 1.80 -0.03 -0.17 0.00 0.00 175.17 176.75 1sfy h MET 62 N 7.97 0.05 0.04 4.34 1.85 -1.95 0.20 114.93 127.43 1sfy h MET 62 Ca -0.44 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 58.63 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 0.42 -0.02 1.15 -0.40 0.00 0.00 176.91 178.68 1sfy h THR 63 N 0.04 1.19 0.00 -0.77 2.02 -1.96 -3.27 112.91 110.16 1sfy h THR 63 Ca 0.00 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1sfy h THR 63 Cb 0.69 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1sfy h THR 63 CO 0.05 0.20 -0.69 0.35 0.37 0.00 0.00 175.52 175.80 1sfy n THR 64 N -4.95 0.07 -1.03 3.16 -2.24 -1.21 -4.96 114.28 103.12 1sfy n THR 64 Ca -0.08 -0.07 -0.01 0.00 -2.27 0.00 0.00 64.05 61.62 1sfy n THR 64 Cb 0.20 0.32 -0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.38 3.85 3.38 0.00 0.70 -5.00 105.19 109.95 1sfy n GLY 65 Ca 0.04 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.69 4.75 0.03 2.61 -4.23 -1.16 -4.91 115.64 111.04 1sfy s THR 66 Ca 0.00 0.89 0.07 0.00 -1.18 0.00 0.00 61.69 61.47 1sfy s THR 66 Cb 0.00 -3.70 -0.02 0.00 1.34 0.00 0.00 72.50 70.12 1sfy s THR 66 CO 0.00 0.03 -0.22 0.54 -0.54 0.00 0.00 174.62 174.43 1sfy s VAL 67 N -1.72 1.73 0.42 2.29 0.11 -1.26 -0.97 120.40 121.00 1sfy s VAL 67 Ca 0.46 -1.14 -0.16 0.00 -2.93 0.00 0.00 61.98 58.22 1sfy s VAL 67 Cb -0.13 -1.48 -0.09 0.00 -1.53 0.00 0.00 36.38 33.16 1sfy s VAL 67 CO 0.19 0.30 0.87 0.00 -3.33 0.00 0.00 175.10 173.13 1sfy s ALA 68 N -0.71 3.18 -0.08 1.54 0.00 0.12 -4.62 121.76 121.20 1sfy s ALA 68 Ca 0.08 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.11 1sfy s ALA 68 Cb -0.09 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 1sfy s ALA 68 CO 0.01 0.04 0.12 -1.12 0.00 0.00 0.00 175.76 174.82 1sfy s SER 69 N -2.67 6.15 0.17 0.00 0.01 -1.04 -4.49 113.70 111.83 1sfy s SER 69 Ca 0.57 0.36 -0.04 0.00 1.31 0.00 0.00 55.95 58.15 1sfy s SER 69 Cb -0.10 -1.93 -0.03 0.00 0.21 0.00 0.00 66.02 64.18 1sfy s SER 69 CO 0.23 0.36 0.16 0.72 0.41 0.00 0.00 173.24 175.13 1sfy s PHE 70 N -1.09 0.78 -0.18 2.43 -0.12 -0.99 -1.11 117.98 117.70 1sfy s PHE 70 Ca 0.18 -1.11 -0.15 0.00 -0.05 0.00 0.00 56.93 55.80 1sfy s PHE 70 Cb -0.12 -0.34 0.05 0.00 -0.63 0.00 0.00 43.02 41.98 1sfy s PHE 70 CO 0.08 -0.64 0.46 -2.00 -0.05 0.00 0.00 175.22 173.08 1sfy s GLU 71 N -4.05 0.52 0.02 1.99 2.12 -0.22 -0.70 118.70 118.37 1sfy s GLU 71 Ca 0.26 0.70 0.02 0.00 0.36 0.00 0.00 54.97 56.31 1sfy s GLU 71 Cb 0.06 0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.63 1sfy s GLU 71 CO 0.04 -0.09 -0.08 -0.08 -0.54 0.00 0.00 175.26 174.52 1sfy s THR 72 N 0.53 0.59 -0.01 -1.70 -1.32 -0.09 -0.86 115.64 112.78 1sfy s THR 72 Ca -0.02 -0.69 0.01 0.00 -1.21 0.00 0.00 61.69 59.78 1sfy s THR 72 Cb -0.04 -0.57 0.01 0.00 -1.51 0.00 0.00 72.50 70.38 1sfy s THR 72 CO -0.03 -0.09 -0.04 -0.13 -2.21 0.00 0.00 174.62 172.12 1sfy s ARG 73 N -0.86 0.44 0.12 7.08 0.52 -0.19 -1.29 118.95 124.77 1sfy s ARG 73 Ca -0.03 -0.12 -0.18 0.00 -0.52 0.00 0.00 55.73 54.88 1sfy s ARG 73 Cb -0.06 -0.47 0.04 0.00 0.52 0.00 0.00 34.95 34.98 1sfy s ARG 73 CO 0.00 0.03 0.46 -0.59 0.02 0.00 0.00 175.30 175.22 1sfy s PHE 74 N 0.25 -0.30 -0.02 -0.53 -0.71 -0.98 0.10 117.98 115.79 1sfy s PHE 74 Ca -0.03 0.08 0.04 0.00 -1.04 0.00 0.00 56.93 55.98 1sfy s PHE 74 Cb -0.06 0.32 -0.01 0.00 -1.21 0.00 0.00 43.02 42.07 1sfy s PHE 74 CO -0.00 -0.71 -0.14 -1.54 -1.34 0.00 0.00 175.22 171.48 1sfy s SER 75 N -2.62 1.72 0.29 1.98 1.04 -1.04 -0.53 113.70 114.55 1sfy s SER 75 Ca 0.01 -0.27 -0.02 0.00 0.48 0.00 0.00 55.95 56.15 1sfy s SER 75 Cb 0.01 -0.30 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 1sfy s SER 75 CO -0.10 0.15 0.36 0.72 0.98 0.00 0.00 173.24 175.35 1sfy s PHE 76 N -0.16 1.11 -0.08 5.02 -0.71 -0.53 -0.78 117.98 121.85 1sfy s PHE 76 Ca 0.02 -1.30 -0.07 0.00 -1.04 0.00 0.00 56.93 54.54 1sfy s PHE 76 Cb -0.07 -0.27 0.02 0.00 -1.21 0.00 0.00 43.02 41.49 1sfy s PHE 76 CO 0.00 -0.95 0.21 -1.54 -1.34 0.00 0.00 175.22 171.59 1sfy s SER 77 N -3.21 -0.21 -0.16 1.98 1.04 -0.57 0.43 113.70 112.99 1sfy s SER 77 Ca 0.33 0.41 0.01 0.00 0.48 0.00 0.00 55.95 57.19 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 -0.07 -0.20 -0.63 0.98 0.00 0.00 173.24 173.50 1sfy s ILE 78 N 0.13 2.00 -0.18 -1.02 1.01 -1.26 -2.39 121.20 119.48 1sfy s ILE 78 Ca -0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 1sfy s ILE 78 Cb -0.02 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 1sfy s ILE 78 CO 0.00 0.53 -0.10 -0.70 0.00 0.00 0.00 174.94 174.67 1sfy s GLU 79 N 1.17 3.32 -0.70 2.79 2.12 -1.25 -2.00 118.70 124.14 1sfy s GLU 79 Ca 0.01 -0.68 -0.04 0.00 0.36 0.00 0.00 54.97 54.62 1sfy s GLU 79 Cb -0.14 -2.80 0.18 0.00 0.26 0.00 0.00 34.13 31.64 1sfy s GLU 79 CO -0.09 -0.05 0.55 -0.65 -0.54 0.00 0.00 175.26 174.48 1sfy s GLN 80 N 1.03 2.83 0.46 4.30 -0.21 -1.26 -1.51 119.66 125.30 1sfy s GLN 80 Ca -0.01 -2.68 0.25 0.00 0.02 0.00 0.00 55.36 52.94 1sfy s GLN 80 Cb -0.15 -3.86 0.51 0.00 1.00 0.00 0.00 33.01 30.52 1sfy s GLN 80 CO -0.02 -1.21 1.67 -1.00 -2.12 0.00 0.00 175.29 172.62 1sfy h PRO 81 N 6.89 0.00 -6.38 2.91 0.13 -1.97 -3.47 132.00 130.12 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 0.93 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 -3.29 3.78 0.11 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 57.36 1sfy s TYR 82 Cb 0.06 -2.57 -0.13 0.00 -0.11 0.00 0.00 41.96 39.21 1sfy s TYR 82 CO 0.65 0.51 1.35 1.15 -1.11 0.00 0.00 175.55 178.09 1sfy h THR 83 N 3.25 1.28 -2.44 -0.71 2.02 -1.95 -3.47 112.91 110.88 1sfy h THR 83 Ca -0.49 -1.84 -0.07 0.00 0.77 0.00 0.00 66.41 64.78 1sfy h THR 83 Cb 1.21 1.83 -0.18 0.00 -1.74 0.00 0.00 68.15 69.26 1sfy h THR 83 CO 0.65 0.59 0.07 -0.13 0.37 0.00 0.00 175.52 177.07 1sfy s ARG 84 N -3.93 1.00 0.00 6.66 3.00 -1.26 -4.79 118.95 119.63 1sfy s ARG 84 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 55.73 55.63 1sfy s ARG 84 Cb 0.09 0.46 0.00 0.00 0.00 0.00 0.00 34.95 35.50 1sfy s ARG 84 CO 0.89 -0.33 0.00 -0.35 0.00 0.00 0.00 175.30 175.51 1sfy n PRO 85 N 0.76 0.30 -1.99 3.54 -0.04 -1.26 -4.95 135.00 131.35 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 -4.82 118.68 120.27 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 42.59 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 -1.86 2.54 0.01 1.29 0.04 -1.26 -4.54 135.00 131.22 1sfy s PRO 87 Ca 0.51 1.12 -0.28 0.00 0.04 0.00 0.00 61.00 62.38 1sfy s PRO 87 Cb -0.42 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 32.28 1sfy s PRO 87 CO 0.57 -1.42 0.91 0.00 0.04 0.00 0.00 177.00 177.09 1sfy s ALA 88 N -2.89 -1.81 -0.02 8.56 0.00 -1.24 -4.29 121.76 120.06 1sfy s ALA 88 Ca 0.61 0.89 0.03 0.00 0.00 0.00 0.00 51.96 53.49 1sfy s ALA 88 Cb -0.16 0.44 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 1sfy s ALA 88 CO 0.54 -0.74 0.03 -0.25 0.00 0.00 0.00 175.76 175.34 1sfy n ASP 89 N -0.28 4.19 0.00 0.00 8.00 0.22 -3.02 116.55 125.66 1sfy n ASP 89 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1sfy n ASP 89 Cb 0.62 0.78 0.00 0.00 -0.02 0.00 0.00 41.12 42.50 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 0.89 3.18 0.44 0.00 -1.11 -1.61 105.19 109.60 1sfy n GLY 90 Ca -0.04 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 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 0.01 0.99 0.05 -0.95 -1.92 118.68 119.35 1sfy s LEU 91 Ca 0.00 -0.96 -0.03 0.00 0.05 0.00 0.00 54.13 53.19 1sfy s LEU 91 Cb 0.00 -0.15 -0.01 0.00 -2.05 0.00 0.00 46.19 43.98 1sfy s LEU 91 CO 0.00 -0.41 0.03 -0.69 -0.55 0.00 0.00 176.35 174.73 1sfy s VAL 92 N -3.32 0.10 -0.17 1.48 1.01 0.53 -0.72 120.40 119.31 1sfy s VAL 92 Ca 0.11 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 1sfy s VAL 92 Cb 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1sfy s VAL 92 CO -0.03 -0.46 0.03 0.12 0.00 0.00 0.00 175.10 174.76 1sfy s PHE 93 N -1.45 3.18 0.09 5.22 5.36 -0.72 -1.15 117.98 128.51 1sfy s PHE 93 Ca -0.15 -0.04 -0.02 0.00 -0.96 0.00 0.00 56.93 55.75 1sfy s PHE 93 Cb -0.09 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 40.51 1sfy s PHE 93 CO -0.00 0.09 0.05 -0.59 -1.46 0.00 0.00 175.22 173.31 1sfy s PHE 94 N 0.38 0.61 -0.01 10.12 -0.71 -0.11 -0.71 117.98 127.53 1sfy s PHE 94 Ca 0.01 -1.06 0.02 0.00 -1.04 0.00 0.00 56.93 54.86 1sfy s PHE 94 Cb -0.13 -0.37 -0.00 0.00 -1.21 0.00 0.00 43.02 41.31 1sfy s PHE 94 CO 0.01 -0.47 -0.08 -1.64 -1.34 0.00 0.00 175.22 171.70 1sfy s MET 95 N -3.97 0.74 0.00 1.99 -1.94 0.32 -1.23 119.30 115.21 1sfy s MET 95 Ca 0.14 -0.27 0.00 0.00 -1.71 0.00 0.00 55.69 53.85 1sfy s MET 95 Cb 0.07 -0.71 0.00 0.00 2.01 0.00 0.00 34.83 36.20 1sfy s MET 95 CO -0.05 0.13 0.00 0.41 -0.01 0.00 0.00 175.02 175.51 1sfy n GLY 96 N 3.09 1.33 3.68 -0.03 0.00 -0.91 -0.83 105.19 111.52 1sfy n GLY 96 Ca -0.16 -0.91 -0.44 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 2.09 -1.14 1.61 -0.02 -1.25 -0.82 135.00 135.47 1sfy n PRO 97 Ca 0.00 0.74 -0.33 0.00 -2.02 0.00 0.00 63.50 61.89 1sfy n PRO 97 Cb 0.00 -2.36 0.12 0.00 -0.02 0.00 0.00 33.50 31.24 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 -0.55 2.25 -1.34 3.45 -4.23 -1.26 -3.51 115.64 110.44 1sfy s THR 98 Ca 0.62 0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 61.20 1sfy s THR 98 Cb -0.61 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 70.78 1sfy s THR 98 CO 0.56 -0.08 0.24 2.29 -0.54 0.00 0.00 174.62 177.08 1sfy n LYS 99 N -3.34 -2.95 -1.59 3.99 -0.00 -1.26 -4.98 118.16 108.03 1sfy n LYS 99 Ca 0.13 0.71 -0.31 0.00 -0.00 0.00 0.00 58.31 58.83 1sfy n LYS 99 Cb 0.51 -5.40 0.05 0.00 -0.00 0.00 0.00 35.03 30.19 1sfy n LYS 99 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1sfy s SER 100 N -2.33 5.43 0.32 -5.58 1.04 -1.23 -5.09 113.70 106.27 1sfy s SER 100 Ca 0.15 1.61 0.09 0.00 0.48 0.00 0.00 55.95 58.29 1sfy s SER 100 Cb -0.08 -2.49 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 1sfy s SER 100 CO 0.19 -1.41 -0.02 -0.54 0.98 0.00 0.00 173.24 172.44 1sfy s LYS 101 N -5.03 2.06 0.29 4.02 -0.14 -1.26 -5.09 119.74 114.58 1sfy s LYS 101 Ca 0.58 -1.71 -0.30 0.00 -1.36 0.00 0.00 55.97 53.18 1sfy s LYS 101 Cb -0.14 -1.94 -0.13 0.00 -1.68 0.00 0.00 37.83 33.95 1sfy s LYS 101 CO 0.55 0.19 1.43 -2.30 -0.76 0.00 0.00 175.35 174.45 1sfy n PRO 102 N -0.90 2.26 0.00 -1.68 -0.02 -1.26 -5.00 135.00 128.39 1sfy n PRO 102 Ca -0.05 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1sfy n PRO 102 Cb 0.62 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 1.47 0.00 -1.78 3.55 0.00 -0.63 -5.01 120.51 118.11 1sfy n ALA 103 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.16 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 2.84 3.94 0.00 0.00 -1.52 -0.24 -4.72 119.66 119.95 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 -2.45 0.00 0.00 -0.22 0.00 0.00 33.01 30.34 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 0.37 0.87 7.00 3.09 0.00 -1.26 0.08 105.19 115.34 1sfy n GLY 105 Ca 0.06 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 0.26 1.61 4.01 -1.26 -1.77 117.16 120.00 1sfy n TYR 106 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.88 1sfy n TYR 106 Cb 0.00 0.03 0.74 0.00 -0.31 0.00 0.00 39.34 39.80 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 0.80 103.07 105.12 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 -2.59 0.00 -1.28 5.60 4.01 -0.73 -4.91 117.16 117.26 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 -0.05 -0.05 0.00 -0.31 0.00 0.00 39.34 39.16 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 -0.57 -0.75 -0.02 7.72 4.77 0.27 -1.86 117.00 126.56 1sfy n LEU 109 Ca 0.20 0.27 -0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1sfy n LEU 109 Cb 0.24 -1.82 -0.00 0.00 -2.33 0.00 0.00 43.42 39.51 1sfy n LEU 109 CO 0.19 -0.61 -0.00 0.61 -1.33 0.00 0.00 177.39 176.24 1sfy n GLY 110 N -0.16 0.45 0.00 -0.72 0.00 0.11 -4.34 105.19 100.54 1sfy n GLY 110 Ca -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.88 0.00 -4.29 -0.61 -5.35 -0.78 -1.60 119.36 103.84 1sfy n ILE 111 Ca -0.00 -0.35 -0.16 0.00 -0.27 0.00 0.00 62.75 61.96 1sfy n ILE 111 Cb 0.07 1.10 -0.10 0.00 -1.74 0.00 0.00 39.64 38.96 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 -0.47 1.45 -0.06 4.28 0.08 -1.14 -4.84 117.98 117.28 1sfy s PHE 112 Ca 0.00 -0.76 0.13 0.00 0.12 0.00 0.00 56.93 56.41 1sfy s PHE 112 Cb 0.00 -0.76 -0.19 0.00 -0.57 0.00 0.00 43.02 41.51 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 1.91 -2.51 1.36 3.02 -1.26 -1.08 115.26 116.39 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 1.31 -0.01 0.00 -0.61 0.00 0.00 39.78 41.09 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 -2.16 -1.35 -1.07 6.41 0.23 -1.26 -4.84 115.26 111.23 1sfy n ASN 114 Ca -0.09 -2.41 0.09 0.00 -0.53 0.00 0.00 54.58 51.64 1sfy n ASN 114 Cb 0.56 2.38 0.25 0.00 -2.08 0.00 0.00 39.78 40.89 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 -1.61 3.11 -4.83 0.53 3.41 -1.26 -4.59 113.62 108.37 1sfy n SER 115 Ca -0.02 -2.05 -0.36 0.00 -0.26 0.00 0.00 58.87 56.17 1sfy n SER 115 Cb 0.46 -0.39 -0.06 0.00 -0.26 0.00 0.00 64.21 63.96 1sfy n SER 115 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1sfy s LYS 116 N -1.34 4.09 -0.41 4.33 0.00 -1.26 -4.71 119.74 120.44 1sfy s LYS 116 Ca 0.38 0.63 -0.29 0.00 0.00 0.00 0.00 55.97 56.68 1sfy s LYS 116 Cb 0.20 -2.99 0.02 0.00 0.00 0.00 0.00 37.83 35.07 1sfy s LYS 116 CO 0.24 0.49 1.10 -1.14 0.00 0.00 0.00 175.35 176.05 1sfy s GLN 117 N -1.78 3.87 -0.24 1.78 0.74 -1.26 -4.73 119.66 118.03 1sfy s GLN 117 Ca 0.37 0.77 -0.00 0.00 0.05 0.00 0.00 55.36 56.55 1sfy s GLN 117 Cb -0.16 -3.83 0.07 0.00 1.10 0.00 0.00 33.01 30.18 1sfy s GLN 117 CO 0.19 -1.17 0.00 0.34 -0.55 0.00 0.00 175.29 174.11 1sfy s ASP 118 N 2.10 3.67 0.15 6.67 2.15 -0.86 -4.97 116.67 125.58 1sfy s ASP 118 Ca 0.46 -1.21 0.07 0.00 0.43 0.00 0.00 52.55 52.30 1sfy s ASP 118 Cb -0.09 -0.99 0.38 0.00 -0.30 0.00 0.00 42.92 41.92 1sfy s ASP 118 CO 0.24 -0.29 1.10 0.59 -0.17 0.00 0.00 175.17 176.64 1sfy n ASN 119 N 4.78 0.18 0.25 -0.34 5.03 -1.26 -0.03 115.26 123.88 1sfy n ASN 119 Ca -0.08 0.47 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 39.33 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 -0.71 6.41 0.87 -1.93 -3.07 113.55 115.13 1sfy h SER 120 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 1sfy h SER 120 Cb 0.35 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1sfy h SER 120 CO 0.00 0.11 0.23 1.88 -0.53 0.00 0.00 176.83 178.52 1sfy h TYR 121 N 0.00 1.12 -6.41 2.24 0.05 -0.79 -3.47 116.97 109.72 1sfy h TYR 121 Ca -0.00 -0.11 -0.49 0.00 0.05 0.00 0.00 58.73 58.18 1sfy h TYR 121 Cb 0.60 -0.33 -0.06 0.00 1.01 0.00 0.00 36.73 37.95 1sfy h TYR 121 CO 0.00 0.89 -0.82 1.04 -1.05 0.00 0.00 178.16 178.22 1sfy n GLN 122 N -4.31 -4.31 -4.97 4.88 6.02 -1.16 -4.63 117.38 108.90 1sfy n GLN 122 Ca 0.05 0.50 -0.28 0.00 -0.01 0.00 0.00 57.00 57.27 1sfy n GLN 122 Cb 0.21 -5.09 -0.16 0.00 1.02 0.00 0.00 30.24 26.22 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 -3.54 1.63 -0.09 5.09 2.01 -1.26 -3.92 115.64 115.55 1sfy s THR 123 Ca 0.38 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.60 1sfy s THR 123 Cb -0.20 -1.40 -0.00 0.00 0.01 0.00 0.00 72.50 70.91 1sfy s THR 123 CO 0.86 0.46 -0.23 -0.22 -0.69 0.00 0.00 174.62 174.80 1sfy s LEU 124 N 0.03 2.14 -0.01 4.42 2.96 -0.01 -1.21 118.68 127.01 1sfy s LEU 124 Ca -0.05 -0.53 -0.08 0.00 -0.22 0.00 0.00 54.13 53.25 1sfy s LEU 124 Cb -0.13 -1.42 0.01 0.00 0.50 0.00 0.00 46.19 45.15 1sfy s LEU 124 CO 0.03 0.18 0.16 -0.83 -1.32 0.00 0.00 176.35 174.57 1sfy s GLY 125 N 0.25 0.01 -0.32 7.98 0.00 0.16 -0.52 107.32 114.87 1sfy s GLY 125 Ca -0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 44.72 44.54 1sfy s GLY 125 CO 0.08 -0.16 0.02 0.14 0.00 0.00 0.00 173.10 173.18 1sfy s VAL 126 N -1.26 2.83 0.17 1.40 1.01 0.11 0.44 120.40 125.11 1sfy s VAL 126 Ca -0.13 -1.65 -0.01 0.00 0.00 0.00 0.00 61.98 60.19 1sfy s VAL 126 Cb -0.07 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1sfy s VAL 126 CO 0.02 -0.25 0.36 -1.83 0.00 0.00 0.00 175.10 173.40 1sfy s GLU 127 N 1.17 3.52 -0.56 2.72 -1.05 0.83 -1.76 118.70 123.56 1sfy s GLU 127 Ca -0.02 -0.33 0.04 0.00 -0.15 0.00 0.00 54.97 54.51 1sfy s GLU 127 Cb -0.20 -2.87 0.16 0.00 -0.44 0.00 0.00 34.13 30.78 1sfy s GLU 127 CO -0.03 0.44 0.38 -0.06 0.95 0.00 0.00 175.26 176.94 1sfy s PHE 128 N -1.79 2.65 -0.11 4.83 0.08 0.10 -0.84 117.98 122.90 1sfy s PHE 128 Ca 0.38 -2.91 -0.28 0.00 0.12 0.00 0.00 56.93 54.25 1sfy s PHE 128 Cb -0.11 -2.16 -0.02 0.00 -0.57 0.00 0.00 43.02 40.15 1sfy s PHE 128 CO 0.28 -0.68 0.92 0.34 -0.10 0.00 0.00 175.22 175.98 1sfy s ASP 129 N -0.60 7.15 0.00 1.36 -1.08 -0.28 -2.24 116.67 120.98 1sfy s ASP 129 Ca 0.24 1.41 0.12 0.00 -0.52 0.00 0.00 52.55 53.79 1sfy s ASP 129 Cb -0.10 -2.51 -0.02 0.00 -1.46 0.00 0.00 42.92 38.84 1sfy s ASP 129 CO -0.12 -0.37 0.68 0.35 0.52 0.00 0.00 175.17 176.23 1sfy n THR 130 N 4.43 0.00 -4.83 1.71 -2.24 -0.63 -1.04 114.28 111.67 1sfy n THR 130 Ca 0.06 -0.36 -0.25 0.00 -2.27 0.00 0.00 64.05 61.22 1sfy n THR 130 Cb 0.49 1.13 -0.16 0.00 -2.10 0.00 0.00 70.33 69.69 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 -1.58 1.64 -0.51 4.78 5.36 -1.23 -4.67 117.98 121.77 1sfy s PHE 131 Ca 0.09 -0.40 -0.21 0.00 -0.96 0.00 0.00 56.93 55.45 1sfy s PHE 131 Cb 0.09 -1.09 0.05 0.00 -0.34 0.00 0.00 43.02 41.74 1sfy s PHE 131 CO 0.31 -0.10 0.74 0.45 -1.46 0.00 0.00 175.22 175.16 1sfy s SER 132 N -0.16 6.28 0.69 6.13 0.15 -1.26 -4.99 113.70 120.54 1sfy s SER 132 Ca 0.01 -0.63 -0.03 0.00 0.70 0.00 0.00 55.95 56.00 1sfy s SER 132 Cb -0.09 -2.35 0.09 0.00 -1.71 0.00 0.00 66.02 61.96 1sfy s SER 132 CO 0.01 -0.99 0.96 0.20 1.20 0.00 0.00 173.24 174.61 1sfy s ASN 133 N 2.64 4.63 0.53 5.45 -0.87 -1.26 -4.91 114.94 121.15 1sfy s ASN 133 Ca 0.22 -0.04 0.26 0.00 -1.57 0.00 0.00 52.86 51.73 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 0.16 -1.66 1.99 0.06 -2.57 0.00 0.00 177.10 175.08 1sfy h GLN 134 N -0.45 0.00 -0.01 -0.60 -0.00 -1.98 -0.15 115.11 111.91 1sfy h GLN 134 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.25 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 -0.13 -2.67 -0.00 0.00 0.00 178.83 176.51 1sfy n TRP 135 N -4.35 0.00 -3.60 0.06 2.14 -1.26 -4.95 117.44 105.48 1sfy n TRP 135 Ca 0.10 0.00 -0.22 0.00 2.07 0.00 0.00 57.50 59.45 1sfy n TRP 135 Cb 0.62 -0.04 -0.01 0.00 -0.81 0.00 0.00 31.31 31.06 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 -2.22 6.26 0.85 -0.67 1.01 -0.07 -4.80 116.67 117.04 1sfy s ASP 136 Ca 0.30 0.25 -0.12 0.00 0.71 0.00 0.00 52.55 53.70 1sfy s ASP 136 Cb 0.20 -1.89 0.10 0.00 1.01 0.00 0.00 42.92 42.34 1sfy s ASP 136 CO 0.42 -0.24 1.10 -2.16 0.21 0.00 0.00 175.17 174.51 1sfy s PRO 137 N -4.19 1.62 0.28 8.23 0.04 -1.26 -4.76 135.00 134.96 1sfy s PRO 137 Ca 0.38 0.59 -0.03 0.00 0.04 0.00 0.00 61.00 61.99 1sfy s PRO 137 Cb -0.09 -1.87 0.40 0.00 0.04 0.00 0.00 34.50 32.98 1sfy s PRO 137 CO 0.33 -1.94 1.95 -1.35 0.04 0.00 0.00 177.00 176.03 1sfy h PRO 138 N -1.32 1.14 -6.55 0.56 0.11 -1.98 -3.44 132.00 120.52 1sfy h PRO 138 Ca -0.49 -0.07 -0.53 0.00 0.11 0.00 0.00 66.00 65.03 1sfy h PRO 138 Cb 1.29 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1sfy h PRO 138 CO 0.59 0.76 0.49 -0.65 -0.21 0.00 0.00 178.00 178.97 1sfy s GLN 139 N -5.98 4.53 -0.02 1.05 1.11 -1.26 -4.87 119.66 114.22 1sfy s GLN 139 Ca -0.12 1.68 -0.06 0.00 0.01 0.00 0.00 55.36 56.87 1sfy s GLN 139 Cb 0.18 -3.33 0.00 0.00 -1.01 0.00 0.00 33.01 28.85 1sfy s GLN 139 CO 0.80 -0.06 0.13 0.14 0.01 0.00 0.00 175.29 176.31 1sfy s VAL 140 N 0.44 0.05 0.75 1.09 -7.23 -1.26 -4.36 120.40 109.89 1sfy s VAL 140 Ca 0.53 -0.45 -0.11 0.00 -1.81 0.00 0.00 61.98 60.14 1sfy s VAL 140 Cb -0.28 -0.33 0.04 0.00 0.56 0.00 0.00 36.38 36.37 1sfy s VAL 140 CO 0.31 -0.25 1.08 -2.16 -0.31 0.00 0.00 175.10 173.78 1sfy s PRO 141 N -0.84 2.47 0.01 4.82 0.04 -1.25 -4.95 135.00 135.29 1sfy s PRO 141 Ca -0.09 0.78 -0.10 0.00 0.04 0.00 0.00 61.00 61.62 1sfy s PRO 141 Cb -0.05 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1sfy s PRO 141 CO 0.01 -1.38 0.21 -3.38 0.04 0.00 0.00 177.00 172.49 1sfy s HIS 142 N -3.11 -0.03 0.07 0.56 -3.43 -0.20 -1.99 115.29 107.15 1sfy s HIS 142 Ca 0.59 -0.04 -0.15 0.00 -0.80 0.00 0.00 55.06 54.66 1sfy s HIS 142 Cb -0.14 0.00 -0.06 0.00 -1.43 0.00 0.00 32.58 30.95 1sfy s HIS 142 CO 0.55 -0.36 0.49 0.42 -2.00 0.00 0.00 174.74 173.84 1sfy s ILE 143 N -1.65 4.91 -0.03 -5.38 1.01 0.13 -1.13 121.20 119.05 1sfy s ILE 143 Ca -0.12 0.91 -0.06 0.00 0.00 0.00 0.00 60.65 61.38 1sfy s ILE 143 Cb -0.05 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.66 1sfy s ILE 143 CO 0.01 0.46 0.14 -0.83 0.00 0.00 0.00 174.94 174.72 1sfy s GLY 144 N -1.32 -0.05 -0.35 6.18 0.00 -0.02 -0.65 107.32 111.12 1sfy s GLY 144 Ca 0.30 0.21 -0.12 0.00 0.00 0.00 0.00 44.72 45.11 1sfy s GLY 144 CO 0.17 0.12 0.22 -0.42 0.00 0.00 0.00 173.10 173.19 1sfy s ILE 145 N -0.47 4.99 -0.24 0.90 1.01 -0.89 -0.12 121.20 126.38 1sfy s ILE 145 Ca -0.06 -0.43 -0.08 0.00 0.00 0.00 0.00 60.65 60.09 1sfy s ILE 145 Cb -0.04 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 1sfy s ILE 145 CO 0.01 -0.06 0.08 -1.81 0.00 0.00 0.00 174.94 173.15 1sfy s ASP 146 N 1.66 5.28 -0.34 3.58 1.01 0.17 -1.82 116.67 126.21 1sfy s ASP 146 Ca 0.05 -0.14 0.04 0.00 0.71 0.00 0.00 52.55 53.20 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 0.00 0.06 -0.69 0.21 0.00 0.00 175.17 174.84 1sfy s VAL 147 N 1.39 2.18 -2.00 -1.27 1.01 -1.26 -0.67 120.40 119.78 1sfy s VAL 147 Ca 0.05 -2.31 0.00 0.00 0.00 0.00 0.00 61.98 59.72 1sfy s VAL 147 Cb -0.15 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1sfy s VAL 147 CO 0.04 -0.61 0.00 0.59 0.00 0.00 0.00 175.10 175.12 1sfy n ASN 148 N 4.25 -5.75 -3.60 3.32 3.02 -0.35 -4.93 115.26 111.22 1sfy n ASN 148 Ca 0.04 0.23 -0.09 0.00 -0.03 0.00 0.00 54.58 54.73 1sfy n ASN 148 Cb 0.42 -4.92 -0.06 0.00 -0.61 0.00 0.00 39.78 34.61 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 -2.39 -0.35 0.25 6.41 0.15 -1.26 -2.03 113.70 114.48 1sfy s SER 149 Ca 0.00 0.47 0.25 0.00 0.70 0.00 0.00 55.95 57.38 1sfy s SER 149 Cb 0.00 0.41 0.90 0.00 -1.71 0.00 0.00 66.02 65.62 1sfy s SER 149 CO 0.00 -0.26 1.75 -0.29 1.20 0.00 0.00 173.24 175.64 1sfy h ILE 150 N 2.80 0.00 -2.57 6.45 6.09 -1.85 -3.39 117.51 125.04 1sfy h ILE 150 Ca -0.20 -0.37 -0.63 0.00 -1.37 0.00 0.00 64.86 62.28 1sfy h ILE 150 Cb 1.17 1.25 -0.14 0.00 0.47 0.00 0.00 36.82 39.56 1sfy h ILE 150 CO 0.25 0.00 0.63 -0.60 -3.07 0.00 0.00 178.15 175.36 1sfy s ARG 151 N -3.22 3.18 0.45 2.19 3.52 -1.26 -4.98 118.95 118.82 1sfy s ARG 151 Ca 0.07 -0.90 -0.23 0.00 -0.13 0.00 0.00 55.73 54.55 1sfy s ARG 151 Cb 0.11 -4.33 -0.11 0.00 -1.56 0.00 0.00 34.95 29.06 1sfy s ARG 151 CO 0.50 -1.85 0.81 0.43 -0.81 0.00 0.00 175.30 174.38 1sfy n SER 152 N 7.73 0.31 0.07 -2.12 7.64 -1.26 -4.80 113.62 121.19 1sfy n SER 152 Ca 0.00 0.95 0.12 0.00 1.01 0.00 0.00 58.87 60.96 1sfy n SER 152 Cb 0.46 -1.26 0.20 0.00 -1.01 0.00 0.00 64.21 62.60 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 1.09 0.00 -2.80 0.44 3.07 -1.72 -3.46 117.51 114.13 1sfy h ILE 153 Ca -0.43 -0.50 -0.12 0.00 1.55 0.00 0.00 64.86 65.35 1sfy h ILE 153 Cb 1.37 1.14 -0.23 0.00 -0.27 0.00 0.00 36.82 38.82 1sfy h ILE 153 CO 0.54 0.00 -0.24 -0.75 -1.05 0.00 0.00 178.15 176.65 1sfy s LYS 154 N -3.16 0.52 0.04 0.16 2.47 -1.25 -5.03 119.74 113.48 1sfy s LYS 154 Ca 0.07 0.39 0.01 0.00 -1.56 0.00 0.00 55.97 54.88 1sfy s LYS 154 Cb 0.13 0.25 -0.02 0.00 -1.46 0.00 0.00 37.83 36.73 1sfy s LYS 154 CO 0.71 -0.09 -0.06 0.99 0.16 0.00 0.00 175.35 177.05 1sfy s THR 155 N -0.14 0.41 -0.22 3.43 2.01 -1.26 -2.10 115.64 117.77 1sfy s THR 155 Ca -0.03 -1.07 -0.04 0.00 0.31 0.00 0.00 61.69 60.86 1sfy s THR 155 Cb -0.03 -0.55 0.11 0.00 0.01 0.00 0.00 72.50 72.03 1sfy s THR 155 CO 0.02 -0.44 0.29 -1.58 -0.69 0.00 0.00 174.62 172.21 1sfy s GLN 156 N -1.66 0.26 0.51 4.92 2.00 0.18 -4.96 119.66 120.90 1sfy s GLN 156 Ca -0.11 0.38 -0.21 0.00 -2.00 0.00 0.00 55.36 53.42 1sfy s GLN 156 Cb -0.09 -0.82 -0.06 0.00 0.80 0.00 0.00 33.01 32.83 1sfy s GLN 156 CO -0.00 -0.63 1.19 -2.14 -0.50 0.00 0.00 175.29 173.21 1sfy s PRO 157 N 2.43 3.49 0.07 1.67 0.02 -1.26 0.17 135.00 141.58 1sfy s PRO 157 Ca 0.09 1.81 -0.09 0.00 0.02 0.00 0.00 61.00 62.83 1sfy s PRO 157 Cb -0.15 -2.24 -0.00 0.00 0.02 0.00 0.00 34.50 32.12 1sfy s PRO 157 CO -0.13 -0.78 0.18 -0.59 -0.33 0.00 0.00 177.00 175.34 1sfy s PHE 158 N -1.56 0.12 -0.12 6.54 -0.71 -0.84 -4.85 117.98 116.55 1sfy s PHE 158 Ca 0.68 -0.47 -0.18 0.00 -1.04 0.00 0.00 56.93 55.92 1sfy s PHE 158 Cb -0.29 -0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.42 1sfy s PHE 158 CO 0.35 -0.49 0.47 -1.14 -1.34 0.00 0.00 175.22 173.07 1sfy s GLN 159 N -3.30 4.33 -0.06 1.99 2.00 -1.26 -3.96 119.66 119.40 1sfy s GLN 159 Ca 0.01 0.43 -0.26 0.00 -2.00 0.00 0.00 55.36 53.54 1sfy s GLN 159 Cb 0.02 -3.44 -0.03 0.00 0.80 0.00 0.00 33.01 30.36 1sfy s GLN 159 CO -0.08 0.15 0.84 -1.17 -0.50 0.00 0.00 175.29 174.52 1sfy s LEU 160 N 0.67 4.32 -1.05 3.68 2.96 -1.26 -4.98 118.68 123.01 1sfy s LEU 160 Ca 0.25 1.38 -0.11 0.00 -0.22 0.00 0.00 54.13 55.43 1sfy s LEU 160 Cb -0.15 -3.31 0.25 0.00 0.50 0.00 0.00 46.19 43.48 1sfy s LEU 160 CO 0.10 -0.22 1.07 -1.81 -1.32 0.00 0.00 176.35 174.17 1sfy s ASP 161 N 0.94 7.14 -0.47 3.68 1.01 -1.26 -5.00 116.67 122.71 1sfy s ASP 161 Ca 0.44 -3.26 -0.43 0.00 0.71 0.00 0.00 52.55 50.01 1sfy s ASP 161 Cb -0.19 -2.24 -0.18 0.00 1.01 0.00 0.00 42.92 41.32 1sfy s ASP 161 CO 0.21 -0.44 1.71 -3.20 0.21 0.00 0.00 175.17 173.66 1sfy n ASN 162 N 3.51 0.95 0.00 0.27 5.15 -1.26 -0.02 115.26 123.85 1sfy n ASN 162 Ca 0.23 0.91 0.00 0.00 -0.60 0.00 0.00 54.58 55.12 1sfy n ASN 162 Cb 0.42 -0.83 0.00 0.00 -0.53 0.00 0.00 39.78 38.84 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 5.13 2.11 3.86 8.20 0.00 -0.85 -4.99 105.19 118.66 1sfy n GLY 163 Ca 0.38 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.07 3.88 0.06 1.61 -1.52 0.97 -4.85 119.66 119.73 1sfy s GLN 164 Ca 0.00 0.58 -0.29 0.00 -1.95 0.00 0.00 55.36 53.70 1sfy s GLN 164 Cb 0.00 -2.39 -0.05 0.00 -0.22 0.00 0.00 33.01 30.35 1sfy s GLN 164 CO 0.00 0.03 0.93 0.08 -0.25 0.00 0.00 175.29 176.08 1sfy s VAL 165 N -2.23 4.68 0.02 1.09 1.01 -1.26 -4.33 120.40 119.39 1sfy s VAL 165 Ca 0.53 1.98 0.05 0.00 0.00 0.00 0.00 61.98 64.53 1sfy s VAL 165 Cb -0.10 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 1sfy s VAL 165 CO 0.26 0.27 -0.12 0.00 0.00 0.00 0.00 175.10 175.50 1sfy s ALA 166 N 0.38 2.82 -0.13 5.51 0.00 0.17 -4.22 121.76 126.28 1sfy s ALA 166 Ca 0.47 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 1sfy s ALA 166 Cb -0.22 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 1sfy s ALA 166 CO 0.28 0.59 -0.03 -0.80 0.00 0.00 0.00 175.76 175.80 1sfy s ASN 167 N -1.38 4.93 -0.01 0.00 0.01 0.93 -1.45 114.94 117.96 1sfy s ASN 167 Ca 0.16 -0.05 0.07 0.00 -0.71 0.00 0.00 52.86 52.33 1sfy s ASN 167 Cb -0.11 -1.66 -0.02 0.00 0.41 0.00 0.00 41.25 39.87 1sfy s ASN 167 CO 0.06 0.23 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.98 1sfy s VAL 168 N -0.03 1.71 -0.08 1.60 1.01 0.31 -0.49 120.40 124.43 1sfy s VAL 168 Ca 0.02 -0.94 -0.00 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 34.85 1sfy s VAL 168 CO 0.02 0.47 -0.04 -0.69 0.00 0.00 0.00 175.10 174.87 1sfy s VAL 169 N -0.52 0.65 -0.15 2.92 1.01 -0.52 -2.32 120.40 121.47 1sfy s VAL 169 Ca 0.08 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1sfy s VAL 169 Cb -0.08 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.59 1sfy s VAL 169 CO -0.01 0.29 -0.19 -0.63 0.00 0.00 0.00 175.10 174.56 1sfy s ILE 170 N 1.64 1.89 0.02 2.22 1.01 -0.41 -0.05 121.20 127.53 1sfy s ILE 170 Ca 0.01 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.84 1sfy s ILE 170 Cb -0.13 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 1sfy s ILE 170 CO -0.05 0.52 -0.14 -0.75 0.00 0.00 0.00 174.94 174.52 1sfy s LYS 171 N 1.06 0.99 -0.13 2.79 2.20 0.39 -0.91 119.74 126.13 1sfy s LYS 171 Ca -0.02 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 54.95 1sfy s LYS 171 Cb -0.14 -0.98 0.02 0.00 -1.51 0.00 0.00 37.83 35.21 1sfy s LYS 171 CO -0.06 0.26 -0.11 -0.47 -0.36 0.00 0.00 175.35 174.61 1sfy s TYR 172 N -0.62 1.79 -0.34 4.03 5.04 0.12 -0.90 117.35 126.47 1sfy s TYR 172 Ca 0.03 -0.94 -0.13 0.00 -2.44 0.00 0.00 57.07 53.60 1sfy s TYR 172 Cb -0.07 -1.39 -0.01 0.00 0.35 0.00 0.00 41.96 40.84 1sfy s TYR 172 CO 0.00 -0.57 0.23 -0.51 -1.34 0.00 0.00 175.55 173.37 1sfy s ASP 173 N 1.54 5.99 0.31 4.32 1.01 -0.54 -2.35 116.67 126.97 1sfy s ASP 173 Ca 0.04 -0.47 0.01 0.00 0.71 0.00 0.00 52.55 52.83 1sfy s ASP 173 Cb -0.13 -2.12 0.52 0.00 1.01 0.00 0.00 42.92 42.20 1sfy s ASP 173 CO -0.08 -0.25 1.90 0.00 0.21 0.00 0.00 175.17 176.95 1sfy h ALA 174 N 8.48 1.36 -1.01 5.23 0.00 -1.88 0.16 119.26 131.60 1sfy h ALA 174 Ca -0.31 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.52 1sfy h ALA 174 Cb 1.15 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1sfy h ALA 174 CO 0.64 0.48 0.65 0.77 0.00 0.00 0.00 179.25 181.79 1sfy h SER 175 N 0.76 1.03 -0.08 0.00 0.02 -1.93 -2.89 113.55 110.46 1sfy h SER 175 Ca 0.18 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1sfy h SER 175 Cb 0.17 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1sfy h SER 175 CO -0.02 0.64 0.00 -1.54 -1.14 0.00 0.00 176.83 174.78 1sfy n SER 176 N -4.51 2.25 -2.84 3.07 3.41 -1.14 -4.96 113.62 108.90 1sfy n SER 176 Ca 0.16 -1.62 -0.20 0.00 -0.26 0.00 0.00 58.87 56.95 1sfy n SER 176 Cb 0.21 -0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.12 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 0.72 -3.37 -3.70 4.33 5.02 0.00 -4.88 118.16 116.27 1sfy n LYS 177 Ca 0.09 0.79 -0.37 0.00 -2.02 0.00 0.00 58.31 56.80 1sfy n LYS 177 Cb 0.35 -5.53 -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 -6.30 3.88 -0.37 -0.35 0.20 -0.94 -0.49 118.68 114.32 1sfy s LEU 178 Ca 0.20 -0.01 -0.07 0.00 0.69 0.00 0.00 54.13 54.93 1sfy s LEU 178 Cb -0.09 -2.05 0.06 0.00 -0.43 0.00 0.00 46.19 43.67 1sfy s LEU 178 CO 0.24 0.02 0.16 -0.22 -0.29 0.00 0.00 176.35 176.26 1sfy s LEU 179 N 1.34 4.66 -0.11 -0.68 2.96 -0.34 -1.46 118.68 125.05 1sfy s LEU 179 Ca 0.06 -1.31 0.02 0.00 -0.22 0.00 0.00 54.13 52.68 1sfy s LEU 179 Cb -0.15 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 1sfy s LEU 179 CO 0.06 -0.41 -0.16 -1.38 -1.32 0.00 0.00 176.35 173.14 1sfy s HIS 180 N 1.40 2.72 0.12 5.38 -3.43 -0.08 -2.13 115.29 119.26 1sfy s HIS 180 Ca 0.01 -0.66 0.10 0.00 -0.80 0.00 0.00 55.06 53.71 1sfy s HIS 180 Cb -0.21 -1.77 -0.04 0.00 -1.43 0.00 0.00 32.58 29.14 1sfy s HIS 180 CO 0.02 -0.20 -0.26 0.00 -2.00 0.00 0.00 174.74 172.31 1sfy s ALA 181 N 0.15 2.26 -0.01 -1.38 0.00 -0.17 -0.46 121.76 122.15 1sfy s ALA 181 Ca -0.09 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.48 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 0.38 -0.10 0.00 1.01 0.93 -1.79 120.40 119.79 1sfy s VAL 182 Ca 0.12 -0.17 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 35.94 1sfy s VAL 182 CO 0.05 0.12 -0.20 -0.22 0.00 0.00 0.00 175.10 174.86 1sfy s LEU 183 N 0.09 1.93 -0.05 3.92 0.20 -0.41 -1.43 118.68 122.93 1sfy s LEU 183 Ca -0.01 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.36 1sfy s LEU 183 Cb -0.04 -1.22 0.01 0.00 -0.43 0.00 0.00 46.19 44.51 1sfy s LEU 183 CO -0.00 0.10 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.37 1sfy s VAL 184 N 0.55 0.90 -0.55 1.68 1.01 0.35 -0.95 120.40 123.39 1sfy s VAL 184 Ca -0.15 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 1sfy s VAL 184 Cb -0.17 -0.83 0.14 0.00 0.00 0.00 0.00 36.38 35.52 1sfy s VAL 184 CO 0.05 0.29 0.42 -0.31 0.00 0.00 0.00 175.10 175.55 1sfy s TYR 185 N 0.55 3.47 0.37 5.22 2.02 -0.74 -0.05 117.35 128.20 1sfy s TYR 185 Ca -0.10 -2.04 0.15 0.00 -0.37 0.00 0.00 57.07 54.70 1sfy s TYR 185 Cb -0.13 -3.49 1.00 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 8.11 0.48 0.40 -1.71 0.11 -1.87 0.64 132.00 138.16 1sfy h PRO 186 Ca -0.13 -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 32.02 1sfy h PRO 186 CO 0.82 0.32 -0.40 0.66 -0.21 0.00 0.00 178.00 179.19 1sfy h SER 187 N 0.50 -1.09 0.81 -2.05 4.64 -1.93 -3.20 113.55 111.24 1sfy h SER 187 Ca 0.57 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 1sfy h SER 187 Cb 1.28 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 1sfy h SER 187 CO -0.31 -0.55 -0.97 -1.54 -0.87 0.00 0.00 176.83 172.58 1sfy n SER 188 N -5.50 0.73 0.00 4.97 3.41 -0.98 -4.95 113.62 111.30 1sfy n SER 188 Ca -0.10 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1sfy n SER 188 Cb 0.40 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 1.25 0.67 3.77 5.00 0.00 0.22 -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 -2.38 3.53 -0.06 4.61 0.00 -1.18 -4.83 121.76 121.45 1sfy s ALA 190 Ca 0.00 1.35 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 19.62 1sfy s ALA 190 CO 0.00 -0.76 -0.09 0.42 0.00 0.00 0.00 175.76 175.33 1sfy s ILE 191 N -1.06 0.88 0.03 0.00 1.01 -1.26 -1.79 121.20 119.01 1sfy s ILE 191 Ca 0.51 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.89 1sfy s ILE 191 Cb -0.42 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 1sfy s ILE 191 CO 0.55 0.30 -0.18 -0.31 0.00 0.00 0.00 174.94 175.30 1sfy s TYR 192 N 0.77 1.58 -0.02 3.97 2.02 -0.12 -5.00 117.35 120.54 1sfy s TYR 192 Ca -0.13 -0.35 -0.03 0.00 -0.37 0.00 0.00 57.07 56.20 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 0.02 0.05 0.07 -0.08 -1.57 0.00 0.00 175.55 174.04 1sfy s THR 193 N -0.71 0.01 0.03 -0.71 -1.32 -1.26 -1.28 115.64 110.39 1sfy s THR 193 Ca 0.06 -0.08 0.02 0.00 -1.21 0.00 0.00 61.69 60.48 1sfy s THR 193 Cb -0.08 -0.14 -0.02 0.00 -1.51 0.00 0.00 72.50 70.76 1sfy s THR 193 CO 0.01 -0.04 -0.06 -0.63 -2.21 0.00 0.00 174.62 171.69 1sfy s ILE 194 N -0.10 0.42 -0.02 5.08 1.09 -0.74 -5.02 121.20 121.92 1sfy s ILE 194 Ca -0.01 -0.89 -0.18 0.00 -1.10 0.00 0.00 60.65 58.46 1sfy s ILE 194 Cb -0.01 -0.48 0.03 0.00 -1.06 0.00 0.00 42.46 40.94 1sfy s ILE 194 CO 0.00 -0.33 0.39 0.00 -0.10 0.00 0.00 174.94 174.91 1sfy s ALA 195 N -1.18 -1.01 -0.04 9.38 0.00 -1.26 -0.99 121.76 126.67 1sfy s ALA 195 Ca -0.09 0.54 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 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 0.00 175.76 174.39 1sfy s GLU 196 N -1.34 0.76 -0.02 0.00 2.56 -0.91 -5.01 118.70 114.75 1sfy s GLU 196 Ca -0.13 -0.23 -0.25 0.00 0.00 0.00 0.00 54.97 54.35 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 0.79 0.42 -0.56 0.00 0.00 175.26 175.64 1sfy s ILE 197 N -2.83 4.92 -0.06 -3.70 -1.09 -1.26 -1.20 121.20 115.98 1sfy s ILE 197 Ca 0.04 1.65 -0.03 0.00 -2.23 0.00 0.00 60.65 60.09 1sfy s ILE 197 Cb -0.01 -4.13 0.04 0.00 -1.58 0.00 0.00 42.46 36.78 1sfy s ILE 197 CO -0.07 0.26 0.10 -0.69 -1.23 0.00 0.00 174.94 173.31 1sfy s VAL 198 N 0.64 -0.17 -0.75 2.92 1.01 0.36 -4.95 120.40 119.45 1sfy s VAL 198 Ca 0.41 0.40 -0.20 0.00 0.00 0.00 0.00 61.98 62.59 1sfy s VAL 198 Cb -0.19 -0.21 0.11 0.00 0.00 0.00 0.00 36.38 36.08 1sfy s VAL 198 CO 0.22 0.17 0.95 -0.62 0.00 0.00 0.00 175.10 175.82 1sfy s ASP 199 N 2.21 6.36 0.43 3.32 -1.08 -1.26 -4.60 116.67 122.05 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 -2.38 1.00 0.00 -1.46 0.00 0.00 42.92 39.96 1sfy s ASP 199 CO -0.04 -1.20 2.01 0.58 0.52 0.00 0.00 175.17 177.04 1sfy h VAL 200 N 5.86 0.95 -0.39 1.11 2.07 -1.97 -1.26 116.25 122.62 1sfy h VAL 200 Ca -0.12 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1sfy h VAL 200 Cb 1.06 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1sfy h VAL 200 CO 1.12 0.08 0.17 0.50 0.02 0.00 0.00 177.57 179.46 1sfy h LYS 201 N 0.43 0.55 0.00 1.57 3.64 -1.89 -0.32 116.57 120.54 1sfy h LYS 201 Ca 0.23 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 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 0.45 -0.60 1.96 -2.27 0.00 0.00 179.45 178.92 1sfy h GLN 202 N 0.55 0.00 0.00 1.90 1.08 -1.66 -3.41 115.11 113.58 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 0.09 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.46 1sfy h GLN 202 CO -0.02 0.00 -2.26 0.28 -0.95 0.00 0.00 178.83 175.89 1sfy n VAL 203 N -2.31 1.24 -3.99 -0.54 0.31 -0.91 -5.05 118.33 107.09 1sfy n VAL 203 Ca 0.03 -0.35 -0.21 0.00 -0.01 0.00 0.00 64.34 63.79 1sfy n VAL 203 Cb 0.47 -1.67 -0.03 0.00 -0.91 0.00 0.00 33.84 31.70 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 4.11 0.75 7.52 1.43 -0.18 -4.35 118.68 120.97 1sfy s LEU 204 Ca -0.31 -0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 1sfy s LEU 204 Cb 0.11 -2.66 0.04 0.00 0.03 0.00 0.00 46.19 43.71 1sfy s LEU 204 CO 0.42 -0.09 1.12 -2.16 0.23 0.00 0.00 176.35 175.88 1sfy s PRO 205 N -3.95 2.49 0.33 1.29 0.04 -1.26 -4.76 135.00 129.18 1sfy s PRO 205 Ca 0.34 0.36 0.05 0.00 0.04 0.00 0.00 61.00 61.80 1sfy s PRO 205 Cb -0.09 -1.99 0.69 0.00 0.04 0.00 0.00 34.50 33.16 1sfy s PRO 205 CO 0.28 -1.28 1.90 0.93 0.04 0.00 0.00 177.00 178.87 1sfy h GLU 206 N -0.83 0.81 -6.11 4.56 5.08 -1.96 -3.41 114.58 112.72 1sfy h GLU 206 Ca -0.46 -0.05 -0.68 0.00 -1.00 0.00 0.00 59.36 57.17 1sfy h GLU 206 Cb 1.28 -0.18 -0.26 0.00 0.50 0.00 0.00 28.75 30.09 1sfy h GLU 206 CO 0.64 0.53 -0.79 -1.58 -1.00 0.00 0.00 179.01 176.81 1sfy s TRP 207 N -5.77 2.66 0.17 4.33 0.52 -1.26 -0.87 118.94 118.72 1sfy s TRP 207 Ca -0.10 -0.36 -0.00 0.00 0.02 0.00 0.00 56.10 55.66 1sfy s TRP 207 Cb 0.21 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.83 1sfy s TRP 207 CO 0.79 0.03 0.06 0.14 0.02 0.00 0.00 176.95 177.99 1sfy s VAL 208 N -0.43 0.28 -0.10 4.03 -7.23 -0.55 -4.28 120.40 112.12 1sfy s VAL 208 Ca 0.05 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.24 1sfy s VAL 208 Cb -0.12 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 1sfy s VAL 208 CO 0.02 -0.33 -0.02 -1.81 -0.31 0.00 0.00 175.10 172.65 1sfy s ASP 209 N -3.13 5.06 -0.07 4.85 1.01 0.00 -0.67 116.67 123.72 1sfy s ASP 209 Ca 0.28 0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.60 1sfy s ASP 209 Cb 0.07 -1.50 -0.03 0.00 1.01 0.00 0.00 42.92 42.47 1sfy s ASP 209 CO 0.05 0.32 -0.05 0.68 0.21 0.00 0.00 175.17 176.39 1sfy s VAL 210 N -0.55 3.87 0.31 -1.27 -7.23 -1.26 -2.15 120.40 112.12 1sfy s VAL 210 Ca 0.09 -0.42 -0.17 0.00 -1.81 0.00 0.00 61.98 59.67 1sfy s VAL 210 Cb -0.12 -2.59 0.06 0.00 0.56 0.00 0.00 36.38 34.29 1sfy s VAL 210 CO 0.02 0.60 0.86 0.61 -0.31 0.00 0.00 175.10 176.87 1sfy n GLY 211 N 2.18 0.87 3.27 2.32 0.00 -0.36 -1.47 105.19 112.00 1sfy n GLY 211 Ca -0.18 -1.21 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 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 2.20 -0.02 0.99 1.43 0.19 -0.94 118.68 122.53 1sfy s LEU 212 Ca 0.18 -0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1sfy s LEU 212 Cb -0.04 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.19 1sfy s LEU 212 CO 0.09 0.15 0.11 -0.55 0.23 0.00 0.00 176.35 176.39 1sfy s SER 213 N -1.35 -0.03 0.05 2.29 0.15 -0.30 -0.71 113.70 113.81 1sfy s SER 213 Ca 0.08 -0.02 -0.02 0.00 0.70 0.00 0.00 55.95 56.69 1sfy s SER 213 Cb -0.09 0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 64.41 1sfy s SER 213 CO 0.02 -0.21 0.01 -0.83 1.20 0.00 0.00 173.24 173.44 1sfy s GLY 214 N -0.70 0.39 -0.16 9.45 0.00 -0.12 -0.34 107.32 115.83 1sfy s GLY 214 Ca -0.08 -1.05 -0.24 0.00 0.00 0.00 0.00 44.72 43.35 1sfy s GLY 214 CO 0.01 -1.17 0.62 0.00 0.00 0.00 0.00 173.10 172.56 1sfy s ALA 215 N -3.68 -1.56 0.38 3.20 0.00 -0.81 -1.98 121.76 117.30 1sfy s ALA 215 Ca 0.05 1.51 0.08 0.00 0.00 0.00 0.00 51.96 53.59 1sfy s ALA 215 Cb 0.06 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 1sfy s ALA 215 CO -0.09 -0.32 0.37 0.95 0.00 0.00 0.00 175.76 176.67 1sfy s THR 216 N -0.30 3.16 1.11 0.00 -4.23 0.26 0.69 115.64 116.34 1sfy s THR 216 Ca -0.05 -1.29 -0.16 0.00 -1.18 0.00 0.00 61.69 59.01 1sfy s THR 216 Cb -0.03 -3.11 0.16 0.00 1.34 0.00 0.00 72.50 70.86 1sfy s THR 216 CO 0.04 -0.08 0.42 0.61 -0.54 0.00 0.00 174.62 175.06 1sfy n GLY 217 N -1.51 -2.20 0.34 3.99 0.00 0.23 -3.96 105.19 102.07 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 2.90 -2.42 4.61 0.00 -1.26 0.23 120.51 120.07 1sfy n ALA 218 Ca 0.03 -0.43 -0.12 0.00 0.00 0.00 0.00 53.44 52.91 1sfy n ALA 218 Cb 0.58 -1.13 -0.11 0.00 0.00 0.00 0.00 19.45 18.79 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 -2.32 0.78 -0.14 0.00 -2.07 -1.26 -4.91 119.66 109.73 1sfy s GLN 219 Ca 0.29 -1.16 -0.34 0.00 -1.82 0.00 0.00 55.36 52.34 1sfy s GLN 219 Cb 0.20 -0.34 -0.16 0.00 -1.09 0.00 0.00 33.01 31.62 1sfy s GLN 219 CO 0.45 0.03 1.00 -2.13 -1.32 0.00 0.00 175.29 173.32 1sfy n ARG 220 N 0.47 0.00 -1.00 9.60 3.00 -1.26 -1.06 116.66 126.41 1sfy n ARG 220 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 1sfy n ARG 220 Cb 0.58 -1.19 0.00 0.00 0.00 0.00 0.00 32.46 31.86 1sfy n ARG 220 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1sfy n ASP 221 N 1.90 -5.68 -3.58 6.15 8.00 -1.26 -4.60 116.55 117.48 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 0.02 -3.18 -0.01 0.00 -0.02 0.00 0.00 41.12 37.93 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 6.40 -2.32 2.24 0.00 -0.23 -4.42 120.51 123.19 1sfy n ALA 222 Ca 0.00 -4.00 -0.18 0.00 0.00 0.00 0.00 53.44 49.25 1sfy n ALA 222 Cb 0.45 -3.07 -0.09 0.00 0.00 0.00 0.00 19.45 16.74 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 0.59 1.89 0.13 0.00 0.00 -1.26 0.77 121.76 123.89 1sfy s ALA 223 Ca 0.52 -1.79 -0.26 0.00 0.00 0.00 0.00 51.96 50.43 1sfy s ALA 223 Cb 0.15 1.24 0.07 0.00 0.00 0.00 0.00 23.12 24.58 1sfy s ALA 223 CO -0.06 -0.55 1.01 -1.83 0.00 0.00 0.00 175.76 174.34 1sfy s GLU 224 N -3.77 1.09 0.46 0.00 -1.05 -1.24 -4.39 118.70 109.79 1sfy s GLU 224 Ca 0.37 -0.61 -0.02 0.00 -0.15 0.00 0.00 54.97 54.56 1sfy s GLU 224 Cb 0.04 0.37 -0.01 0.00 -0.44 0.00 0.00 34.13 34.09 1sfy s GLU 224 CO 0.19 -0.50 0.71 0.95 0.95 0.00 0.00 175.26 177.56 1sfy s THR 225 N -3.12 4.36 -0.42 1.83 -4.23 -0.57 -4.80 115.64 108.70 1sfy s THR 225 Ca 0.13 -0.26 0.06 0.00 -1.18 0.00 0.00 61.69 60.44 1sfy s THR 225 Cb -0.01 -3.63 0.22 0.00 1.34 0.00 0.00 72.50 70.42 1sfy s THR 225 CO 0.02 -0.51 0.53 1.41 -0.54 0.00 0.00 174.62 175.52 1sfy n HIS 226 N -2.14 -1.26 -3.67 3.99 -0.00 -1.26 -3.88 115.22 107.01 1sfy n HIS 226 Ca 0.00 -3.04 -0.37 0.00 -0.00 0.00 0.00 57.72 54.31 1sfy n HIS 226 Cb 0.57 0.26 -0.06 0.00 -0.00 0.00 0.00 29.99 30.76 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 -0.65 6.57 -0.09 0.41 1.01 -1.01 -1.81 116.67 121.10 1sfy s ASP 227 Ca 0.34 0.67 0.05 0.00 0.71 0.00 0.00 52.55 54.31 1sfy s ASP 227 Cb 0.12 -2.16 -0.00 0.00 1.01 0.00 0.00 42.92 41.88 1sfy s ASP 227 CO -0.15 0.32 -0.24 -0.69 0.21 0.00 0.00 175.17 174.62 1sfy s VAL 228 N -0.78 2.06 -0.10 -1.27 1.01 0.39 -1.52 120.40 120.18 1sfy s VAL 228 Ca 0.19 -1.03 0.17 0.00 0.00 0.00 0.00 61.98 61.31 1sfy s VAL 228 Cb -0.14 -1.77 -0.25 0.00 0.00 0.00 0.00 36.38 34.22 1sfy s VAL 228 CO 0.08 0.56 0.23 -1.22 0.00 0.00 0.00 175.10 174.75 1sfy n TYR 229 N 3.37 0.00 -3.48 5.22 4.01 0.04 -1.17 117.16 125.16 1sfy n TYR 229 Ca -0.19 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.44 1sfy n TYR 229 Cb 0.53 -0.65 -0.03 0.00 -0.31 0.00 0.00 39.34 38.88 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 -4.65 -0.48 -0.29 7.72 1.04 -1.24 -3.95 113.70 111.85 1sfy s SER 230 Ca -0.08 -0.07 -0.15 0.00 0.48 0.00 0.00 55.95 56.14 1sfy s SER 230 Cb 0.08 0.56 0.13 0.00 0.10 0.00 0.00 66.02 66.89 1sfy s SER 230 CO 0.74 -0.92 0.82 0.86 0.98 0.00 0.00 173.24 175.72 1sfy s TRP 231 N -3.68 -0.91 0.09 5.02 -0.00 -0.76 -2.49 118.94 116.21 1sfy s TRP 231 Ca 0.01 1.70 0.04 0.00 -0.00 0.00 0.00 56.10 57.86 1sfy s TRP 231 Cb -0.00 0.54 -0.03 0.00 -0.00 0.00 0.00 33.47 33.98 1sfy s TRP 231 CO -0.12 -0.45 -0.12 -1.54 -0.00 0.00 0.00 176.95 174.72 1sfy s SER 232 N 1.96 1.58 -0.04 5.86 1.04 0.12 -0.62 113.70 123.61 1sfy s SER 232 Ca -0.08 -0.74 -0.11 0.00 0.48 0.00 0.00 55.95 55.50 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 -0.18 0.26 0.12 0.98 0.00 0.00 173.24 174.23 1sfy s PHE 233 N -2.00 -0.17 -0.10 5.02 5.36 0.02 -1.03 117.98 125.09 1sfy s PHE 233 Ca 0.03 0.32 -0.07 0.00 -0.96 0.00 0.00 56.93 56.25 1sfy s PHE 233 Cb -0.06 0.06 0.03 0.00 -0.34 0.00 0.00 43.02 42.72 1sfy s PHE 233 CO 0.01 -0.29 0.25 -1.14 -1.46 0.00 0.00 175.22 172.60 1sfy s GLN 234 N -0.87 0.26 -0.02 10.12 0.74 -0.04 -2.11 119.66 127.74 1sfy s GLN 234 Ca -0.10 0.44 -0.01 0.00 0.05 0.00 0.00 55.36 55.75 1sfy s GLN 234 Cb -0.05 0.03 0.02 0.00 1.10 0.00 0.00 33.01 34.10 1sfy s GLN 234 CO 0.02 -0.09 0.03 0.00 -0.55 0.00 0.00 175.29 174.70 1sfy s ALA 235 N 0.64 -0.01 -0.23 1.58 0.00 -0.94 -1.05 121.76 121.75 1sfy s ALA 235 Ca -0.04 0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.10 1sfy s ALA 235 Cb -0.06 -0.15 0.07 0.00 0.00 0.00 0.00 23.12 22.99 1sfy s ALA 235 CO -0.04 -0.06 0.02 0.45 0.00 0.00 0.00 175.76 176.14 1sfy s SER 236 N 0.51 3.46 -0.33 0.00 0.15 -0.27 -2.30 113.70 114.93 1sfy s SER 236 Ca -0.04 -1.13 -0.16 0.00 0.70 0.00 0.00 55.95 55.32 1sfy s SER 236 Cb -0.06 -0.84 -0.01 0.00 -1.71 0.00 0.00 66.02 63.40 1sfy s SER 236 CO -0.02 -0.31 0.42 -0.22 1.20 0.00 0.00 173.24 174.32 1sfy s LEU 237 N 1.66 4.31 0.22 3.45 0.20 -0.42 -2.48 118.68 125.62 1sfy s LEU 237 Ca 0.00 -0.03 -0.30 0.00 0.69 0.00 0.00 54.13 54.49 1sfy s LEU 237 Cb -0.18 -2.45 -0.09 0.00 -0.43 0.00 0.00 46.19 43.04 1sfy s LEU 237 CO -0.11 -0.36 1.17 -2.16 -0.29 0.00 0.00 176.35 174.60 1sfy s PRO 238 N 2.17 4.54 0.00 0.98 0.04 -1.26 -2.30 135.00 139.16 1sfy s PRO 238 Ca 0.15 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1sfy s PRO 238 Cb -0.16 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1sfy s PRO 238 CO 0.12 0.01 0.00 0.39 0.04 0.00 0.00 177.00 177.56