#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssg n PRO 3 N 0.00 1.34 -1.76 0.00 -0.04 -1.26 -4.79 135.00 128.49 1ssg n PRO 3 Ca 0.00 0.49 -0.42 0.00 -0.04 0.00 0.00 63.50 63.53 1ssg n PRO 3 Cb 0.00 -2.17 -0.03 0.00 -0.04 0.00 0.00 33.50 31.26 1ssg n PRO 3 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ssg s ARG 4 N 1.41 4.15 0.16 0.54 0.52 -1.26 -4.93 118.95 119.55 1ssg s ARG 4 Ca 0.87 2.50 -0.31 0.00 -0.52 0.00 0.00 55.73 58.28 1ssg s ARG 4 Cb -0.93 -4.09 -0.08 0.00 0.52 0.00 0.00 34.95 30.37 1ssg s ARG 4 CO 0.50 -0.92 1.33 0.21 0.02 0.00 0.00 175.30 176.44 1ssg s LYS 5 N 4.27 4.37 0.18 3.54 2.20 -1.26 -4.94 119.74 128.09 1ssg s LYS 5 Ca 0.84 2.04 -0.32 0.00 -0.36 0.00 0.00 55.97 58.17 1ssg s LYS 5 Cb -0.40 -3.23 -0.11 0.00 -1.51 0.00 0.00 37.83 32.58 1ssg s LYS 5 CO 0.38 -0.31 1.74 0.12 -0.36 0.00 0.00 175.35 176.92 1ssg s PHE 6 N 0.53 2.72 -0.12 4.03 5.99 -1.26 -4.83 117.98 125.05 1ssg s PHE 6 Ca 0.60 0.27 0.02 0.00 0.00 0.00 0.00 56.93 57.81 1ssg s PHE 6 Cb -0.36 -4.13 0.01 0.00 0.00 0.00 0.00 43.02 38.54 1ssg s PHE 6 CO 0.35 -4.39 -0.17 0.12 -0.00 0.00 0.00 175.22 171.13 1ssg s PHE 7 N 1.58 2.16 -0.19 10.12 2.19 -0.66 -0.33 117.98 132.85 1ssg s PHE 7 Ca 0.76 -1.06 0.00 0.00 0.33 0.00 0.00 56.93 56.96 1ssg s PHE 7 Cb -0.48 -1.54 0.05 0.00 -1.31 0.00 0.00 43.02 39.74 1ssg s PHE 7 CO 0.33 -0.53 -0.07 0.08 1.83 0.00 0.00 175.22 176.87 1ssg s VAL 8 N 0.99 1.36 -0.12 3.12 1.01 -0.44 -1.66 120.40 124.66 1ssg s VAL 8 Ca -0.06 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 1ssg s VAL 8 Cb -0.15 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1ssg s VAL 8 CO -0.02 0.08 0.08 -0.83 0.00 0.00 0.00 175.10 174.40 1ssg s GLY 9 N 1.51 2.00 -0.34 4.51 0.00 0.07 -2.49 107.32 112.58 1ssg s GLY 9 Ca -0.02 -0.72 -0.08 0.00 0.00 0.00 0.00 44.72 43.91 1ssg s GLY 9 CO -0.08 -0.38 0.13 -0.32 0.00 0.00 0.00 173.10 172.45 1ssg s GLY 10 N -0.75 1.86 -0.53 0.20 0.00 0.89 -0.79 107.32 108.19 1ssg s GLY 10 Ca 0.13 -1.67 -0.17 0.00 0.00 0.00 0.00 44.72 43.01 1ssg s GLY 10 CO 0.03 0.77 0.55 0.21 0.00 0.00 0.00 173.10 174.66 1ssg s ASN 11 N 1.47 6.18 0.43 1.64 2.47 0.55 -0.18 114.94 127.50 1ssg s ASN 11 Ca 0.00 -1.45 0.30 0.00 0.42 0.00 0.00 52.86 52.13 1ssg s ASN 11 Cb -0.19 -2.24 1.23 0.00 -1.45 0.00 0.00 41.25 38.60 1ssg s ASN 11 CO 0.04 -0.89 1.87 -0.50 -3.72 0.00 0.00 177.10 173.91 1ssg h TRP 12 N 8.96 0.00 0.00 0.43 6.55 -1.64 -3.40 115.95 126.85 1ssg h TRP 12 Ca -0.29 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.55 1ssg h TRP 12 Cb 1.10 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.40 1ssg h TRP 12 CO 0.74 0.00 0.00 1.63 -1.05 0.00 0.00 178.44 179.76 1ssg n LYS 13 N -2.71 0.00 -2.81 0.49 5.02 -1.26 -3.68 118.16 113.20 1ssg n LYS 13 Ca 0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.87 1ssg n LYS 13 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 1ssg n LYS 13 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1ssg n MET 14 N 6.04 3.74 -3.86 1.97 1.56 -1.26 -4.30 117.12 121.00 1ssg n MET 14 Ca 0.00 -3.99 -0.11 0.00 -0.27 0.00 0.00 57.70 53.32 1ssg n MET 14 Cb 0.00 -2.80 -0.10 0.00 2.15 0.00 0.00 33.22 32.46 1ssg n MET 14 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1ssg s ASN 15 N 0.85 -0.00 0.00 6.12 0.01 -1.24 -5.13 114.94 115.55 1ssg s ASN 15 Ca 0.37 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.40 1ssg s ASN 15 Cb 0.02 0.23 0.00 0.00 0.41 0.00 0.00 41.25 41.91 1ssg s ASN 15 CO 0.01 -0.31 0.00 0.61 -1.51 0.00 0.00 177.10 175.90 1ssg n GLY 16 N 1.73 -0.20 3.28 0.66 0.00 -1.26 -4.84 105.19 104.56 1ssg n GLY 16 Ca -0.21 -1.72 -0.24 0.00 0.00 0.00 0.00 46.02 43.84 1ssg n GLY 16 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ssg n ASP 17 N -1.11 1.09 -0.10 1.61 5.68 -1.26 -4.95 116.55 117.50 1ssg n ASP 17 Ca 0.00 -3.13 0.23 0.00 -0.50 0.00 0.00 54.79 51.39 1ssg n ASP 17 Cb 0.00 1.06 0.67 0.00 -1.14 0.00 0.00 41.12 41.71 1ssg n ASP 17 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1ssg h LYS 18 N 0.00 0.07 0.18 0.11 1.57 -1.98 0.25 116.57 116.77 1ssg h LYS 18 Ca -0.31 -0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.18 1ssg h LYS 18 Cb 1.19 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 33.50 1ssg h LYS 18 CO 0.48 0.05 -1.38 -0.22 -0.57 0.00 0.00 179.45 177.80 1ssg h LYS 19 N 0.07 0.39 -0.18 3.15 3.64 -1.97 -2.43 116.57 119.24 1ssg h LYS 19 Ca 0.35 -0.67 -0.20 0.00 -1.27 0.00 0.00 60.65 58.86 1ssg h LYS 19 Cb 1.27 0.25 0.01 0.00 -0.41 0.00 0.00 32.23 33.35 1ssg h LYS 19 CO -0.03 1.32 -0.67 0.66 -2.27 0.00 0.00 179.45 178.46 1ssg h SER 20 N -0.08 0.89 0.52 4.20 4.64 -1.79 -2.17 113.55 119.77 1ssg h SER 20 Ca -0.26 -0.61 -0.16 0.00 -0.47 0.00 0.00 61.79 60.29 1ssg h SER 20 Cb 1.95 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.76 1ssg h SER 20 CO 0.18 1.35 -0.71 -0.07 -0.87 0.00 0.00 176.83 176.71 1ssg h LEU 21 N 0.49 0.19 -1.04 5.97 4.07 -0.69 -1.62 115.31 122.68 1ssg h LEU 21 Ca -0.03 -0.13 -0.09 0.00 0.08 0.00 0.00 57.88 57.70 1ssg h LEU 21 Cb 1.30 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.97 1ssg h LEU 21 CO 0.14 0.84 -0.33 1.23 -1.08 0.00 0.00 178.44 179.24 1ssg h GLY 22 N 1.75 0.29 0.24 0.83 0.00 -1.39 -0.99 103.07 103.79 1ssg h GLY 22 Ca -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1ssg h GLY 22 CO 0.10 0.22 -0.00 0.83 0.00 0.00 0.00 176.54 177.69 1ssg h GLU 23 N 0.23 0.00 -0.65 4.80 5.08 -1.24 -2.17 114.58 120.63 1ssg h GLU 23 Ca 0.03 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.52 1ssg h GLU 23 Cb 0.70 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.85 1ssg h GLU 23 CO 0.05 0.77 0.07 1.25 -1.00 0.00 0.00 179.01 180.15 1ssg h LEU 24 N -0.76 -0.15 -0.28 1.33 6.46 -1.29 -1.81 115.31 118.80 1ssg h LEU 24 Ca -0.00 0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 1ssg h LEU 24 Cb 0.77 0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.92 1ssg h LEU 24 CO 0.00 -0.08 0.10 0.40 -0.62 0.00 0.00 178.44 178.24 1ssg h ILE 25 N 0.18 1.19 0.00 4.05 2.04 -1.24 -2.20 117.51 121.54 1ssg h ILE 25 Ca 0.35 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1ssg h ILE 25 Cb 0.57 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1ssg h ILE 25 CO -0.51 0.20 -0.11 -0.74 0.00 0.00 0.00 178.15 177.00 1ssg h HIS 26 N 0.30 0.00 -0.08 1.37 2.76 -0.90 -0.10 115.15 118.50 1ssg h HIS 26 Ca 0.09 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.19 1ssg h HIS 26 Cb 0.22 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.18 1ssg h HIS 26 CO 0.00 0.11 -0.23 1.15 -1.30 0.00 0.00 177.93 177.66 1ssg h THR 27 N 0.00 1.42 -0.55 6.26 2.02 -1.13 -2.97 112.91 117.95 1ssg h THR 27 Ca -0.00 -1.59 -0.06 0.00 0.77 0.00 0.00 66.41 65.53 1ssg h THR 27 Cb 0.20 2.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 1ssg h THR 27 CO 0.01 0.45 0.10 0.25 0.37 0.00 0.00 175.52 176.71 1ssg h LEU 28 N -0.20 0.81 -1.39 2.58 6.46 -0.75 -0.78 115.31 122.05 1ssg h LEU 28 Ca -0.01 -0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.55 1ssg h LEU 28 Cb 0.85 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 1ssg h LEU 28 CO 0.05 0.82 -0.05 0.78 -0.62 0.00 0.00 178.44 179.41 1ssg h ASN 29 N 0.82 0.31 1.45 1.25 2.35 -1.11 -3.02 115.58 117.64 1ssg h ASN 29 Ca 0.17 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1ssg h ASN 29 Cb 0.35 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1ssg h ASN 29 CO 0.00 0.42 -0.50 1.23 -1.65 0.00 0.00 177.43 176.93 1ssg h GLY 30 N 0.72 0.00 -2.63 2.83 0.00 -1.19 -3.49 103.07 99.32 1ssg h GLY 30 Ca 0.07 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.88 1ssg h GLY 30 CO 0.01 0.00 0.51 0.00 0.00 0.00 0.00 176.54 177.07 1ssg s ALA 31 N -3.28 2.87 -0.66 3.60 0.00 -0.37 -4.93 121.76 118.99 1ssg s ALA 31 Ca 0.04 1.04 -0.27 0.00 0.00 0.00 0.00 51.96 52.77 1ssg s ALA 31 Cb 0.08 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.77 1ssg s ALA 31 CO 0.73 -0.91 1.46 0.15 0.00 0.00 0.00 175.76 177.19 1ssg s LYS 32 N -2.86 3.08 -0.02 0.00 1.02 -1.26 -4.99 119.74 114.71 1ssg s LYS 32 Ca 0.68 0.15 0.06 0.00 0.02 0.00 0.00 55.97 56.88 1ssg s LYS 32 Cb -0.32 -4.22 -0.02 0.00 -0.52 0.00 0.00 37.83 32.75 1ssg s LYS 32 CO 0.37 -2.24 -0.19 -0.51 -0.92 0.00 0.00 175.35 171.86 1ssg s LEU 33 N 6.66 2.46 0.23 3.17 1.43 -1.26 -4.97 118.68 126.40 1ssg s LEU 33 Ca 0.47 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.94 1ssg s LEU 33 Cb -0.10 -1.47 -0.09 0.00 0.03 0.00 0.00 46.19 44.56 1ssg s LEU 33 CO 0.19 0.32 1.26 -0.44 0.23 0.00 0.00 176.35 177.91 1ssg s SER 34 N -0.81 6.96 0.29 2.29 0.01 -1.26 -4.89 113.70 116.29 1ssg s SER 34 Ca 0.11 2.41 -0.01 0.00 1.31 0.00 0.00 55.95 59.77 1ssg s SER 34 Cb -0.10 -2.62 0.44 0.00 0.21 0.00 0.00 66.02 63.94 1ssg s SER 34 CO 0.01 -0.45 1.89 0.00 0.41 0.00 0.00 173.24 175.10 1ssg h ALA 35 N 4.75 1.31 -0.34 1.44 0.00 -1.99 -2.87 119.26 121.56 1ssg h ALA 35 Ca -0.46 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.45 1ssg h ALA 35 Cb 1.22 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1ssg h ALA 35 CO 0.73 0.53 0.15 -0.25 0.00 0.00 0.00 179.25 180.41 1ssg n ASP 36 N -4.34 0.09 -4.83 0.00 10.43 -1.26 -4.55 116.55 112.09 1ssg n ASP 36 Ca 0.06 0.57 -0.37 0.00 2.57 0.00 0.00 54.79 57.62 1ssg n ASP 36 Cb 0.14 -0.26 -0.06 0.00 1.84 0.00 0.00 41.12 42.77 1ssg n ASP 36 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1ssg s THR 37 N -4.63 5.28 -0.41 -3.53 2.01 -1.09 -4.06 115.64 109.22 1ssg s THR 37 Ca -0.03 0.51 -0.19 0.00 0.31 0.00 0.00 61.69 62.29 1ssg s THR 37 Cb 0.11 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 69.08 1ssg s THR 37 CO 0.27 0.56 0.57 -0.70 -0.69 0.00 0.00 174.62 174.63 1ssg s GLU 38 N -0.78 3.35 -0.12 4.92 2.12 0.55 -4.96 118.70 123.79 1ssg s GLU 38 Ca 0.19 -0.36 -0.04 0.00 0.36 0.00 0.00 54.97 55.12 1ssg s GLU 38 Cb -0.14 -3.91 -0.03 0.00 0.26 0.00 0.00 34.13 30.31 1ssg s GLU 38 CO 0.08 -0.88 0.02 0.08 -0.54 0.00 0.00 175.26 174.02 1ssg s VAL 39 N 2.59 4.44 -0.03 3.70 1.01 -1.26 -1.32 120.40 129.53 1ssg s VAL 39 Ca 0.20 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1ssg s VAL 39 Cb -0.15 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.34 1ssg s VAL 39 CO 0.16 0.56 -0.01 -0.69 0.00 0.00 0.00 175.10 175.13 1ssg s VAL 40 N -0.48 0.23 -0.21 2.92 1.01 -1.04 -0.35 120.40 122.48 1ssg s VAL 40 Ca 0.09 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 1ssg s VAL 40 Cb -0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 1ssg s VAL 40 CO 0.02 0.14 -0.04 0.00 0.00 0.00 0.00 175.10 175.22 1ssg s GLY 42 N 1.33 1.44 0.12 0.00 0.00 0.75 -1.07 107.32 109.89 1ssg s GLY 42 Ca 0.04 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.80 1ssg s GLY 42 CO -0.02 2.05 0.25 0.00 0.00 0.00 0.00 173.10 175.38 1ssg s ALA 43 N 3.85 3.94 0.42 3.20 0.00 -0.86 -1.90 121.76 130.42 1ssg s ALA 43 Ca 0.34 -1.00 -0.24 0.00 0.00 0.00 0.00 51.96 51.07 1ssg s ALA 43 Cb -0.11 -1.75 -0.11 0.00 0.00 0.00 0.00 23.12 21.15 1ssg s ALA 43 CO 0.23 0.62 0.93 -2.30 0.00 0.00 0.00 175.76 175.24 1ssg n PRO 44 N -0.28 1.19 -0.34 0.00 -0.02 -1.26 -4.02 135.00 130.27 1ssg n PRO 44 Ca -0.07 0.43 0.01 0.00 -2.02 0.00 0.00 63.50 61.86 1ssg n PRO 44 Cb 0.53 -1.95 0.15 0.00 -0.02 0.00 0.00 33.50 32.22 1ssg n PRO 44 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ssg h SER 45 N 1.38 0.94 0.21 2.55 4.64 -1.95 0.18 113.55 121.49 1ssg h SER 45 Ca -0.44 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1ssg h SER 45 Cb 1.35 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1ssg h SER 45 CO 0.56 0.60 0.00 -0.29 -0.87 0.00 0.00 176.83 176.83 1ssg h ILE 46 N 1.08 0.00 -0.00 0.95 2.10 -2.03 -2.58 117.51 117.02 1ssg h ILE 46 Ca 0.40 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 66.26 1ssg h ILE 46 Cb 0.16 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 36.65 1ssg h ILE 46 CO -0.17 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 175.68 1ssg n TYR 47 N -2.50 0.00 -0.21 2.19 4.02 -0.00 -4.80 117.16 115.87 1ssg n TYR 47 Ca -0.01 -0.70 -0.07 0.00 -0.01 0.00 0.00 57.90 57.11 1ssg n TYR 47 Cb 0.10 -0.09 0.03 0.00 -0.02 0.00 0.00 39.34 39.36 1ssg n TYR 47 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1ssg h LEU 48 N 0.01 0.79 0.19 7.72 3.38 -0.99 -0.90 115.31 125.51 1ssg h LEU 48 Ca 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1ssg h LEU 48 Cb 0.70 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ssg h LEU 48 CO 0.00 0.70 -0.09 -0.78 0.09 0.00 0.00 178.44 178.36 1ssg h ASP 49 N 0.82 -0.22 -0.61 -0.43 -0.00 -1.87 -1.24 116.42 112.88 1ssg h ASP 49 Ca 0.20 -0.17 0.11 0.00 -0.00 0.00 0.00 57.03 57.17 1ssg h ASP 49 Cb 0.13 0.06 -0.08 0.00 -0.00 0.00 0.00 39.33 39.43 1ssg h ASP 49 CO -0.02 0.05 0.14 0.15 -0.00 0.00 0.00 179.24 179.56 1ssg h PHE 50 N -0.49 0.23 -0.70 0.28 3.04 -1.89 -1.10 116.94 116.30 1ssg h PHE 50 Ca -0.03 0.04 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 1ssg h PHE 50 Cb 0.38 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.85 1ssg h PHE 50 CO 0.00 -0.02 0.19 0.00 -2.02 0.00 0.00 178.31 176.47 1ssg h ALA 51 N 1.47 0.93 -0.17 2.41 0.00 -0.89 -1.01 119.26 121.99 1ssg h ALA 51 Ca 0.32 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1ssg h ALA 51 Cb 0.47 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ssg h ALA 51 CO -0.39 0.64 -0.44 -0.09 0.00 0.00 0.00 179.25 178.96 1ssg h ARG 52 N 1.05 0.60 -0.72 0.00 9.65 -0.91 0.05 114.38 124.10 1ssg h ARG 52 Ca 0.22 -0.42 0.11 0.00 -1.10 0.00 0.00 59.98 58.80 1ssg h ARG 52 Cb 0.35 0.06 -0.08 0.00 -1.39 0.00 0.00 29.97 28.91 1ssg h ARG 52 CO -0.00 1.04 0.33 1.96 2.80 0.00 0.00 179.97 186.09 1ssg h GLN 53 N 0.26 0.51 0.12 0.20 4.20 -0.85 -3.29 115.11 116.26 1ssg h GLN 53 Ca -0.01 -0.03 -0.28 0.00 0.06 0.00 0.00 58.65 58.39 1ssg h GLN 53 Cb 1.06 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.72 1ssg h GLN 53 CO 0.10 0.34 -1.47 0.87 -0.67 0.00 0.00 178.83 178.00 1ssg h LYS 54 N 0.53 0.24 -6.98 1.46 1.79 -1.01 -3.46 116.57 109.15 1ssg h LYS 54 Ca 0.37 -0.42 -0.54 0.00 -2.18 0.00 0.00 60.65 57.89 1ssg h LYS 54 Cb 0.47 0.15 0.11 0.00 -1.58 0.00 0.00 32.23 31.39 1ssg h LYS 54 CO -0.32 1.20 0.71 -0.51 -1.08 0.00 0.00 179.45 179.45 1ssg s LEU 55 N -7.51 4.16 0.54 2.94 1.43 -0.01 -4.94 118.68 115.28 1ssg s LEU 55 Ca -0.20 2.93 -0.22 0.00 -1.03 0.00 0.00 54.13 55.61 1ssg s LEU 55 Cb 0.05 -3.88 -0.05 0.00 0.03 0.00 0.00 46.19 42.34 1ssg s LEU 55 CO 0.76 -1.10 1.37 -0.62 0.23 0.00 0.00 176.35 177.00 1ssg s ASP 56 N -0.45 5.29 0.37 2.29 2.15 -1.26 -4.88 116.67 120.18 1ssg s ASP 56 Ca 0.59 2.79 0.09 0.00 0.43 0.00 0.00 52.55 56.45 1ssg s ASP 56 Cb -0.44 -2.64 0.84 0.00 -0.30 0.00 0.00 42.92 40.38 1ssg s ASP 56 CO 0.57 -1.56 1.92 0.00 -0.17 0.00 0.00 175.17 175.93 1ssg h ALA 57 N 1.51 1.84 0.00 3.66 0.00 -1.92 -1.87 119.26 122.47 1ssg h ALA 57 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ssg h ALA 57 Cb 1.30 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ssg h ALA 57 CO 0.57 -0.02 0.00 1.63 0.00 0.00 0.00 179.25 181.43 1ssg n LYS 58 N -4.51 0.00 -4.71 0.00 5.02 -1.26 -4.52 118.16 108.17 1ssg n LYS 58 Ca 0.14 0.43 -0.33 0.00 -2.02 0.00 0.00 58.31 56.53 1ssg n LYS 58 Cb 0.38 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.75 1ssg n LYS 58 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ssg s ILE 59 N -3.00 3.26 0.72 -0.18 1.01 -0.71 -4.73 121.20 117.57 1ssg s ILE 59 Ca 0.02 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 1ssg s ILE 59 Cb 0.03 -2.37 0.02 0.00 0.01 0.00 0.00 42.46 40.15 1ssg s ILE 59 CO 0.08 0.54 1.10 -0.83 0.00 0.00 0.00 174.94 175.82 1ssg s GLY 60 N 0.09 1.63 -0.03 6.18 0.00 0.52 -4.80 107.32 110.91 1ssg s GLY 60 Ca -0.04 -0.31 0.04 0.00 0.00 0.00 0.00 44.72 44.41 1ssg s GLY 60 CO 0.04 0.07 -0.14 0.14 0.00 0.00 0.00 173.10 173.21 1ssg s VAL 61 N -3.32 1.18 -0.00 1.40 1.01 -1.26 -1.11 120.40 118.30 1ssg s VAL 61 Ca 0.59 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 62.04 1ssg s VAL 61 Cb -0.12 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1ssg s VAL 61 CO 0.52 0.34 -0.22 0.00 0.00 0.00 0.00 175.10 175.75 1ssg s ALA 62 N -0.04 1.85 0.53 5.51 0.00 -0.24 -2.68 121.76 126.70 1ssg s ALA 62 Ca -0.01 -0.99 -0.20 0.00 0.00 0.00 0.00 51.96 50.76 1ssg s ALA 62 Cb -0.09 -0.45 -0.06 0.00 0.00 0.00 0.00 23.12 22.52 1ssg s ALA 62 CO 0.01 0.45 1.11 0.00 0.00 0.00 0.00 175.76 177.33 1ssg s ALA 63 N -0.58 2.74 -1.26 0.00 0.00 -0.87 -2.03 121.76 119.76 1ssg s ALA 63 Ca 0.09 0.79 0.28 0.00 0.00 0.00 0.00 51.96 53.12 1ssg s ALA 63 Cb -0.09 -3.34 1.06 0.00 0.00 0.00 0.00 23.12 20.75 1ssg s ALA 63 CO -0.00 -0.68 1.78 1.04 0.00 0.00 0.00 175.76 177.90 1ssg n GLN 64 N -1.18 0.28 -3.59 0.00 6.02 -1.26 -1.04 117.38 116.61 1ssg n GLN 64 Ca 0.11 -0.09 -0.05 0.00 -0.01 0.00 0.00 57.00 56.96 1ssg n GLN 64 Cb 0.51 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.25 1ssg n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1ssg s ASN 65 N -2.78 -0.16 0.25 1.08 2.47 -1.20 -4.55 114.94 110.04 1ssg s ASN 65 Ca 0.19 -0.01 -0.22 0.00 0.42 0.00 0.00 52.86 53.24 1ssg s ASN 65 Cb 0.19 0.18 0.04 0.00 -1.45 0.00 0.00 41.25 40.21 1ssg s ASN 65 CO 0.55 -0.30 0.81 0.00 -3.72 0.00 0.00 177.10 174.44 1ssg n TYR 67 N -0.48 -2.41 -0.62 0.00 9.36 -0.02 -4.97 117.16 118.02 1ssg n TYR 67 Ca -0.05 -1.54 0.07 0.00 3.32 0.00 0.00 57.90 59.70 1ssg n TYR 67 Cb 0.60 -0.40 0.20 0.00 -0.63 0.00 0.00 39.34 39.11 1ssg n TYR 67 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1ssg n LYS 68 N -1.89 2.81 -3.84 2.98 2.85 -1.26 -4.51 118.16 115.30 1ssg n LYS 68 Ca 0.11 -2.44 -0.11 0.00 -1.05 0.00 0.00 58.31 54.83 1ssg n LYS 68 Cb 0.43 -1.55 -0.09 0.00 -0.65 0.00 0.00 35.03 33.18 1ssg n LYS 68 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1ssg s VAL 69 N -2.01 0.10 0.35 0.58 -7.23 -1.26 -4.87 120.40 106.07 1ssg s VAL 69 Ca 0.32 -0.85 0.06 0.00 -1.81 0.00 0.00 61.98 59.70 1ssg s VAL 69 Cb 0.23 -0.85 0.15 0.00 0.56 0.00 0.00 36.38 36.47 1ssg s VAL 69 CO 0.11 -0.47 1.87 -0.65 -0.31 0.00 0.00 175.10 175.65 1ssg h PRO 70 N 3.56 0.40 -3.31 4.82 0.11 -1.98 -3.44 132.00 132.16 1ssg h PRO 70 Ca -0.32 -0.09 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 1ssg h PRO 70 Cb 1.19 -0.05 -0.11 0.00 0.11 0.00 0.00 31.00 32.13 1ssg h PRO 70 CO 0.47 0.49 0.01 -1.59 -0.21 0.00 0.00 178.00 177.17 1ssg s LYS 71 N -4.81 1.25 0.00 1.05 -2.85 -1.26 -4.68 119.74 108.45 1ssg s LYS 71 Ca -0.07 -0.77 0.00 0.00 -1.00 0.00 0.00 55.97 54.14 1ssg s LYS 71 Cb 0.15 0.51 0.00 0.00 -2.06 0.00 0.00 37.83 36.43 1ssg s LYS 71 CO 0.75 -0.52 0.00 0.41 0.10 0.00 0.00 175.35 176.09 1ssg n GLY 72 N -0.30 1.37 3.39 0.59 0.00 -1.26 -5.01 105.19 103.96 1ssg n GLY 72 Ca -0.13 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 1ssg n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ssg n ALA 73 N -1.27 3.33 -3.22 4.61 0.00 -1.26 -4.68 120.51 118.03 1ssg n ALA 73 Ca 0.00 -3.55 -0.24 0.00 0.00 0.00 0.00 53.44 49.65 1ssg n ALA 73 Cb 0.00 -3.56 -0.07 0.00 0.00 0.00 0.00 19.45 15.82 1ssg n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ssg n PHE 74 N 9.69 0.16 -1.65 0.00 3.72 -1.26 -5.10 117.46 123.02 1ssg n PHE 74 Ca 0.48 -3.64 -0.57 0.00 -0.05 0.00 0.00 57.45 53.67 1ssg n PHE 74 Cb 0.44 -0.38 -0.07 0.00 -0.94 0.00 0.00 39.48 38.54 1ssg n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1ssg n THR 75 N 1.30 0.13 -0.06 4.37 -1.04 -1.26 -2.00 114.28 115.71 1ssg n THR 75 Ca 0.22 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 1ssg n THR 75 Cb 0.52 -0.87 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 1ssg n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ssg n GLY 76 N 3.26 0.47 3.92 3.41 0.00 -1.26 -5.07 105.19 109.92 1ssg n GLY 76 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 1ssg n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ssg s GLU 77 N -0.87 3.25 0.15 1.61 0.41 -0.85 -5.14 118.70 117.26 1ssg s GLU 77 Ca 0.00 -0.87 0.06 0.00 -0.41 0.00 0.00 54.97 53.75 1ssg s GLU 77 Cb 0.00 -2.77 -0.04 0.00 -1.78 0.00 0.00 34.13 29.54 1ssg s GLU 77 CO 0.00 0.41 -0.14 0.96 -0.49 0.00 0.00 175.26 176.00 1ssg s ILE 78 N -2.04 1.42 0.24 -1.63 -4.36 -1.26 -5.03 121.20 108.54 1ssg s ILE 78 Ca 0.34 -1.92 0.11 0.00 -0.26 0.00 0.00 60.65 58.91 1ssg s ILE 78 Cb -0.09 -1.74 -0.05 0.00 1.25 0.00 0.00 42.46 41.84 1ssg s ILE 78 CO 0.28 -0.53 -0.14 -0.94 0.24 0.00 0.00 174.94 173.85 1ssg s SER 79 N -2.83 3.91 0.42 4.36 1.04 -1.26 -0.84 113.70 118.50 1ssg s SER 79 Ca 0.14 -0.83 0.23 0.00 0.48 0.00 0.00 55.95 55.97 1ssg s SER 79 Cb -0.02 -0.50 1.22 0.00 0.10 0.00 0.00 66.02 66.81 1ssg s SER 79 CO 0.04 0.05 1.73 -0.65 0.98 0.00 0.00 173.24 175.39 1ssg h PRO 80 N 2.44 0.28 -0.64 4.02 0.11 -1.86 -0.44 132.00 135.90 1ssg h PRO 80 Ca -0.43 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.74 1ssg h PRO 80 Cb 1.24 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 1ssg h PRO 80 CO 0.57 0.18 0.30 0.00 -0.21 0.00 0.00 178.00 178.84 1ssg h ALA 81 N 1.60 0.85 -0.10 -0.75 0.00 -1.92 -0.68 119.26 118.25 1ssg h ALA 81 Ca 0.65 0.05 -0.23 0.00 0.00 0.00 0.00 54.91 55.39 1ssg h ALA 81 Cb 1.84 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.60 1ssg h ALA 81 CO -0.31 -0.09 -0.83 0.52 0.00 0.00 0.00 179.25 178.54 1ssg h MET 82 N 0.54 0.69 -0.30 0.00 2.86 -1.42 -1.13 114.93 116.16 1ssg h MET 82 Ca 0.31 -0.60 0.02 0.00 -2.06 0.00 0.00 59.70 57.37 1ssg h MET 82 Cb 0.30 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 1ssg h MET 82 CO -0.25 1.21 0.15 0.82 1.06 0.00 0.00 176.91 179.90 1ssg h ILE 83 N 0.45 0.98 -0.48 -1.22 2.04 -0.95 -1.01 117.51 117.33 1ssg h ILE 83 Ca -0.07 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 65.78 1ssg h ILE 83 Cb 1.46 0.65 -0.09 0.00 -0.74 0.00 0.00 36.82 38.10 1ssg h ILE 83 CO 0.16 0.06 -0.08 0.11 0.00 0.00 0.00 178.15 178.40 1ssg h LYS 84 N 0.31 0.03 -0.05 2.37 1.57 -1.14 -2.32 116.57 117.34 1ssg h LYS 84 Ca 0.13 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1ssg h LYS 84 Cb 0.05 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1ssg h LYS 84 CO -0.09 0.02 0.07 0.22 -0.57 0.00 0.00 179.45 179.10 1ssg h ASP 85 N 0.03 0.00 -0.66 0.86 3.58 0.13 0.14 116.42 120.51 1ssg h ASP 85 Ca 0.23 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1ssg h ASP 85 Cb 0.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1ssg h ASP 85 CO -0.46 0.00 0.00 2.30 -2.88 0.00 0.00 179.24 178.20 1ssg n ILE 86 N -3.67 1.48 -0.74 2.25 -6.64 -0.90 -4.98 119.36 106.15 1ssg n ILE 86 Ca -0.02 -1.13 0.00 0.00 -1.77 0.00 0.00 62.75 59.83 1ssg n ILE 86 Cb 0.16 0.28 0.00 0.00 -1.44 0.00 0.00 39.64 38.65 1ssg n ILE 86 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1ssg n GLY 87 N 1.25 0.62 3.85 3.28 0.00 0.04 -4.80 105.19 109.43 1ssg n GLY 87 Ca 0.24 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1ssg n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ssg s ALA 88 N -2.00 3.32 -0.02 4.61 0.00 -0.88 -4.95 121.76 121.84 1ssg s ALA 88 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.01 1ssg s ALA 88 Cb 0.00 -2.77 0.04 0.00 0.00 0.00 0.00 23.12 20.39 1ssg s ALA 88 CO 0.00 0.29 0.92 0.00 0.00 0.00 0.00 175.76 176.97 1ssg n ALA 89 N -0.46 1.82 -2.55 0.00 0.00 -1.19 -3.86 120.51 114.26 1ssg n ALA 89 Ca 0.04 -1.12 -0.12 0.00 0.00 0.00 0.00 53.44 52.24 1ssg n ALA 89 Cb 0.53 -0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.80 1ssg n ALA 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ssg s TRP 90 N -1.00 0.73 -0.00 0.00 0.52 -1.09 -0.36 118.94 117.73 1ssg s TRP 90 Ca 0.04 -0.70 -0.00 0.00 0.02 0.00 0.00 56.10 55.47 1ssg s TRP 90 Cb 0.04 -0.44 0.00 0.00 -1.15 0.00 0.00 33.47 31.93 1ssg s TRP 90 CO 0.00 -0.13 0.00 0.54 0.02 0.00 0.00 176.95 177.39 1ssg s VAL 91 N -2.40 -0.01 -0.19 4.03 0.11 -0.27 -2.05 120.40 119.62 1ssg s VAL 91 Ca -0.01 0.02 -0.21 0.00 -2.93 0.00 0.00 61.98 58.86 1ssg s VAL 91 Cb -0.03 -0.02 -0.03 0.00 -1.53 0.00 0.00 36.38 34.77 1ssg s VAL 91 CO -0.02 0.01 0.61 -0.63 -3.33 0.00 0.00 175.10 171.74 1ssg s ILE 92 N 0.12 5.04 0.02 7.04 1.01 -0.21 -1.42 121.20 132.80 1ssg s ILE 92 Ca -0.01 1.16 0.07 0.00 0.00 0.00 0.00 60.65 61.87 1ssg s ILE 92 Cb -0.01 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 1ssg s ILE 92 CO -0.00 0.13 -0.20 -0.76 0.00 0.00 0.00 174.94 174.11 1ssg s LEU 93 N 1.80 2.11 -0.47 2.97 1.43 -0.52 -3.27 118.68 122.72 1ssg s LEU 93 Ca 0.28 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1ssg s LEU 93 Cb -0.16 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.07 1ssg s LEU 93 CO 0.11 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.49 1ssg n GLY 94 N 2.19 0.57 3.71 -3.19 0.00 -1.26 -1.12 105.19 106.10 1ssg n GLY 94 Ca -0.16 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 1ssg n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ssg n HIS 95 N -3.20 2.11 -0.30 1.61 -0.00 -1.26 -4.29 115.22 109.89 1ssg n HIS 95 Ca -0.05 0.46 0.14 0.00 0.46 0.00 0.00 57.72 58.73 1ssg n HIS 95 Cb 0.27 -2.35 0.31 0.00 -0.12 0.00 0.00 29.99 28.10 1ssg n HIS 95 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1ssg h SER 96 N 1.69 0.06 -0.41 0.26 0.87 -1.92 0.19 113.55 114.29 1ssg h SER 96 Ca -0.49 0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.18 1ssg h SER 96 Cb 1.30 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 63.49 1ssg h SER 96 CO 0.58 -0.15 -0.02 -0.33 -0.53 0.00 0.00 176.83 176.38 1ssg h GLU 97 N 0.22 0.82 -0.14 2.24 5.08 -1.97 -0.86 114.58 119.96 1ssg h GLU 97 Ca 0.58 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1ssg h GLU 97 Cb 1.18 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1ssg h GLU 97 CO -0.65 0.84 0.08 0.00 -1.00 0.00 0.00 179.01 178.27 1ssg h ARG 98 N 0.76 0.20 -0.31 2.33 2.47 -0.99 -0.26 114.38 118.58 1ssg h ARG 98 Ca 0.14 -0.02 -0.09 0.00 -1.26 0.00 0.00 59.98 58.75 1ssg h ARG 98 Cb 0.49 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 1ssg h ARG 98 CO 0.02 0.20 -0.15 0.00 0.56 0.00 0.00 179.97 180.61 1ssg h ARG 99 N 0.14 0.64 0.00 0.04 3.08 -1.09 -2.13 114.38 115.06 1ssg h ARG 99 Ca 0.05 -0.28 -0.10 0.00 0.07 0.00 0.00 59.98 59.72 1ssg h ARG 99 Cb 0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1ssg h ARG 99 CO -0.01 0.87 -1.88 0.72 -1.07 0.00 0.00 179.97 178.59 1ssg n HIS 100 N -4.39 0.00 -0.03 3.04 8.25 -0.36 -2.28 115.22 119.45 1ssg n HIS 100 Ca -0.03 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.21 1ssg n HIS 100 Cb 0.38 -0.53 -0.13 0.00 1.12 0.00 0.00 29.99 30.83 1ssg n HIS 100 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ssg h VAL 101 N 0.00 0.81 -0.47 1.59 2.07 -1.22 -3.40 116.25 115.62 1ssg h VAL 101 Ca -0.15 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1ssg h VAL 101 Cb 1.20 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1ssg h VAL 101 CO 0.01 0.64 0.00 0.49 0.02 0.00 0.00 177.57 178.73 1ssg n PHE 102 N -3.92 1.18 -0.98 1.57 3.72 -0.99 -4.97 117.46 113.07 1ssg n PHE 102 Ca -0.31 -0.67 0.00 0.00 -0.05 0.00 0.00 57.45 56.42 1ssg n PHE 102 Cb 0.88 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 1ssg n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ssg n GLY 103 N 0.50 0.15 3.69 1.37 0.00 -0.91 -4.87 105.19 105.11 1ssg n GLY 103 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1ssg n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ssg s GLU 104 N -1.41 4.17 0.54 1.61 2.02 -0.85 -4.95 118.70 119.83 1ssg s GLU 104 Ca 0.00 2.44 -0.12 0.00 0.02 0.00 0.00 54.97 57.31 1ssg s GLU 104 Cb 0.00 -3.62 -0.06 0.00 0.10 0.00 0.00 34.13 30.55 1ssg s GLU 104 CO 0.00 -0.79 0.94 -1.54 0.02 0.00 0.00 175.26 173.90 1ssg s SER 105 N 2.62 6.40 0.40 -0.19 1.04 -1.26 -4.29 113.70 118.42 1ssg s SER 105 Ca 0.77 1.36 0.17 0.00 0.48 0.00 0.00 55.95 58.73 1ssg s SER 105 Cb -0.42 -2.43 1.06 0.00 0.10 0.00 0.00 66.02 64.33 1ssg s SER 105 CO 0.34 -0.67 1.80 0.44 0.98 0.00 0.00 173.24 176.13 1ssg h ASP 106 N 0.38 0.47 0.48 7.02 3.32 -1.99 -1.90 116.42 124.20 1ssg h ASP 106 Ca -0.46 0.07 -0.23 0.00 0.02 0.00 0.00 57.03 56.43 1ssg h ASP 106 Cb 1.19 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 1ssg h ASP 106 CO 0.62 0.13 -0.99 -0.08 -1.72 0.00 0.00 179.24 177.19 1ssg h GLU 107 N 0.43 0.32 -0.01 3.56 4.81 -1.93 -2.32 114.58 119.44 1ssg h GLU 107 Ca 0.56 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1ssg h GLU 107 Cb 1.35 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.85 1ssg h GLU 107 CO -0.27 1.09 -0.02 1.25 -0.73 0.00 0.00 179.01 180.33 1ssg h LEU 108 N 0.16 0.03 -0.74 1.64 5.85 -1.84 -2.27 115.31 118.15 1ssg h LEU 108 Ca -0.08 -0.63 0.17 0.00 0.84 0.00 0.00 57.88 58.17 1ssg h LEU 108 Cb 1.65 -0.01 -0.12 0.00 0.37 0.00 0.00 40.66 42.56 1ssg h LEU 108 CO 0.16 0.65 0.10 0.40 -0.34 0.00 0.00 178.44 179.42 1ssg h ILE 109 N -0.60 0.44 -0.51 4.05 2.04 -1.43 0.16 117.51 121.66 1ssg h ILE 109 Ca -0.00 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1ssg h ILE 109 Cb 0.65 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1ssg h ILE 109 CO 0.00 0.03 0.34 1.23 0.00 0.00 0.00 178.15 179.76 1ssg h GLY 110 N 0.19 0.71 1.03 5.37 0.00 -1.39 -0.78 103.07 108.20 1ssg h GLY 110 Ca 0.41 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.34 1ssg h GLY 110 CO -0.57 0.25 -0.36 1.46 0.00 0.00 0.00 176.54 177.32 1ssg h GLN 111 N 0.67 0.78 -0.72 4.80 4.20 -0.17 -2.77 115.11 121.90 1ssg h GLN 111 Ca 0.19 -0.43 -0.06 0.00 0.06 0.00 0.00 58.65 58.41 1ssg h GLN 111 Cb -0.04 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1ssg h GLN 111 CO -0.04 1.06 0.22 0.87 -0.67 0.00 0.00 178.83 180.27 1ssg h LYS 112 N 0.54 1.12 -0.33 1.46 1.57 -0.33 -2.01 116.57 118.59 1ssg h LYS 112 Ca 0.04 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 1ssg h LYS 112 Cb 0.95 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1ssg h LYS 112 CO 0.09 0.96 0.03 0.28 -0.57 0.00 0.00 179.45 180.23 1ssg h VAL 113 N 1.07 1.25 -1.01 0.50 2.07 -1.18 0.12 116.25 119.07 1ssg h VAL 113 Ca 0.23 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.87 1ssg h VAL 113 Cb 0.31 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1ssg h VAL 113 CO -0.01 0.30 0.67 0.00 0.02 0.00 0.00 177.57 178.55 1ssg h ALA 114 N 0.87 1.30 0.06 1.67 0.00 -1.20 -1.72 119.26 120.23 1ssg h ALA 114 Ca 0.10 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1ssg h ALA 114 Cb 0.40 -0.39 0.02 0.00 0.00 0.00 0.00 17.79 17.82 1ssg h ALA 114 CO 0.01 0.63 -0.69 1.25 0.00 0.00 0.00 179.25 180.46 1ssg h HIS 115 N 1.34 0.58 -0.95 0.00 6.17 -1.09 -2.35 115.15 118.85 1ssg h HIS 115 Ca 0.38 -0.36 0.02 0.00 0.71 0.00 0.00 60.37 61.13 1ssg h HIS 115 Cb -0.10 -0.05 -0.05 0.00 2.52 0.00 0.00 27.41 29.72 1ssg h HIS 115 CO -0.00 1.21 0.63 0.00 0.71 0.00 0.00 177.93 180.48 1ssg h ALA 116 N 0.23 1.36 -0.18 5.26 0.00 -0.62 -1.42 119.26 123.89 1ssg h ALA 116 Ca -0.10 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 1ssg h ALA 116 Cb 1.45 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ssg h ALA 116 CO 0.13 0.57 -0.58 -0.07 0.00 0.00 0.00 179.25 179.30 1ssg h LEU 117 N 1.24 0.65 -1.36 0.00 3.38 -1.36 -1.32 115.31 116.53 1ssg h LEU 117 Ca 0.36 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1ssg h LEU 117 Cb -0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1ssg h LEU 117 CO -0.10 1.09 -0.27 0.00 0.09 0.00 0.00 178.44 179.25 1ssg h ALA 118 N 0.92 1.47 -0.01 1.53 0.00 -0.82 -2.06 119.26 120.29 1ssg h ALA 118 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ssg h ALA 118 Cb 1.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ssg h ALA 118 CO 0.11 0.39 -0.06 0.39 0.00 0.00 0.00 179.25 180.08 1ssg n GLU 119 N -4.19 1.51 -0.39 0.00 -0.58 -0.60 -4.94 120.64 111.46 1ssg n GLU 119 Ca -0.02 -0.91 0.00 0.00 -0.42 0.00 0.00 57.16 55.82 1ssg n GLU 119 Cb 0.34 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 1ssg n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ssg n GLY 120 N 1.22 0.78 3.89 0.62 0.00 -0.77 -4.97 105.19 105.96 1ssg n GLY 120 Ca 0.17 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1ssg n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ssg s LEU 121 N 0.00 2.98 0.23 0.99 1.43 -0.55 -4.99 118.68 118.77 1ssg s LEU 121 Ca 0.00 0.98 -0.02 0.00 -1.03 0.00 0.00 54.13 54.06 1ssg s LEU 121 Cb 0.00 -3.77 -0.05 0.00 0.03 0.00 0.00 46.19 42.40 1ssg s LEU 121 CO 0.00 -1.29 0.44 -0.83 0.23 0.00 0.00 176.35 174.90 1ssg s GLY 122 N -4.36 1.81 -0.09 -3.19 0.00 0.51 -4.33 107.32 97.68 1ssg s GLY 122 Ca 0.57 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 44.57 1ssg s GLY 122 CO 0.50 -0.69 -0.19 0.14 0.00 0.00 0.00 173.10 172.86 1ssg s VAL 123 N -1.93 1.64 -0.55 1.40 1.01 -0.52 -1.12 120.40 120.33 1ssg s VAL 123 Ca 0.40 -0.77 -0.20 0.00 0.00 0.00 0.00 61.98 61.41 1ssg s VAL 123 Cb -0.11 -1.45 0.08 0.00 0.00 0.00 0.00 36.38 34.90 1ssg s VAL 123 CO 0.29 0.47 0.70 -0.63 0.00 0.00 0.00 175.10 175.92 1ssg s ILE 124 N 0.52 4.79 -0.25 2.22 1.01 -0.50 -0.72 121.20 128.26 1ssg s ILE 124 Ca -0.16 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 1ssg s ILE 124 Cb -0.17 -4.41 -0.04 0.00 0.01 0.00 0.00 42.46 37.85 1ssg s ILE 124 CO 0.06 -0.99 0.38 0.00 0.00 0.00 0.00 174.94 174.39 1ssg s ALA 125 N 2.82 3.57 -0.05 9.38 0.00 -0.09 -1.45 121.76 135.94 1ssg s ALA 125 Ca 0.15 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 1ssg s ALA 125 Cb -0.21 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1ssg s ALA 125 CO 0.10 -0.57 0.13 0.00 0.00 0.00 0.00 175.76 175.42 1ssg s ILE 127 N -1.15 0.36 0.00 0.00 -4.36 -0.01 -4.63 121.20 111.40 1ssg s ILE 127 Ca 0.21 -1.89 0.00 0.00 -0.26 0.00 0.00 60.65 58.71 1ssg s ILE 127 Cb -0.12 -1.77 0.00 0.00 1.25 0.00 0.00 42.46 41.82 1ssg s ILE 127 CO 0.11 -0.77 0.00 0.61 0.24 0.00 0.00 174.94 175.13 1ssg n GLY 128 N -0.02 2.83 3.91 6.27 0.00 -1.26 -0.36 105.19 116.55 1ssg n GLY 128 Ca -0.10 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 1ssg n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ssg s GLU 129 N -1.65 3.45 0.62 1.61 1.03 -1.26 -4.74 118.70 117.74 1ssg s GLU 129 Ca 0.00 -0.33 -0.10 0.00 0.03 0.00 0.00 54.97 54.57 1ssg s GLU 129 Cb 0.00 -3.09 -0.03 0.00 -0.80 0.00 0.00 34.13 30.22 1ssg s GLU 129 CO 0.00 0.66 1.00 0.15 -1.33 0.00 0.00 175.26 175.75 1ssg s LYS 130 N -2.02 3.42 0.19 -4.83 1.02 -1.26 -1.21 119.74 115.05 1ssg s LYS 130 Ca 0.29 0.58 -0.12 0.00 0.02 0.00 0.00 55.97 56.74 1ssg s LYS 130 Cb -0.13 -2.12 0.17 0.00 -0.52 0.00 0.00 37.83 35.23 1ssg s LYS 130 CO 0.20 -0.62 1.80 1.25 -0.92 0.00 0.00 175.35 177.07 1ssg h LEU 131 N -0.30 0.48 -1.39 3.17 5.85 -1.96 -1.70 115.31 119.45 1ssg h LEU 131 Ca -0.45 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.24 1ssg h LEU 131 Cb 1.21 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1ssg h LEU 131 CO 0.62 0.33 -0.19 -2.24 -0.34 0.00 0.00 178.44 176.62 1ssg h ASP 132 N 0.61 0.15 0.06 1.25 2.03 -1.99 -1.74 116.42 116.80 1ssg h ASP 132 Ca 0.25 -0.03 -0.20 0.00 -0.73 0.00 0.00 57.03 56.32 1ssg h ASP 132 Cb 0.12 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 1ssg h ASP 132 CO -0.15 0.36 -0.73 -0.33 -1.03 0.00 0.00 179.24 177.36 1ssg h GLU 133 N 0.15 0.59 0.00 4.15 5.08 -1.80 -3.00 114.58 119.75 1ssg h GLU 133 Ca 0.03 -0.47 -0.09 0.00 -1.00 0.00 0.00 59.36 57.83 1ssg h GLU 133 Cb 0.43 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1ssg h GLU 133 CO 0.03 1.09 -0.45 -0.09 -1.00 0.00 0.00 179.01 178.59 1ssg h ARG 134 N 0.41 0.00 -0.49 2.33 2.43 -0.95 -2.68 114.38 115.43 1ssg h ARG 134 Ca -0.03 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1ssg h ARG 134 Cb 1.32 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 1ssg h ARG 134 CO 0.14 0.45 0.04 1.49 -1.51 0.00 0.00 179.97 180.57 1ssg h GLU 135 N 0.00 0.84 0.00 0.20 4.57 -1.29 -2.60 114.58 116.31 1ssg h GLU 135 Ca -0.00 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1ssg h GLU 135 Cb 0.88 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1ssg h GLU 135 CO 0.06 0.87 0.00 0.00 -1.18 0.00 0.00 179.01 178.75 1ssg n ALA 136 N -2.42 2.35 -0.86 2.92 0.00 -1.12 -4.85 120.51 116.53 1ssg n ALA 136 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ssg n ALA 136 Cb 0.29 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1ssg n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ssg n GLY 137 N 0.42 0.56 2.57 0.00 0.00 -0.98 -4.96 105.19 102.80 1ssg n GLY 137 Ca 0.13 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1ssg n GLY 137 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ssg n ILE 138 N -2.86 2.84 0.02 -0.61 -5.35 -1.03 -4.59 119.36 107.78 1ssg n ILE 138 Ca 0.00 -4.56 -0.13 0.00 -0.27 0.00 0.00 62.75 57.80 1ssg n ILE 138 Cb 0.00 -1.24 -0.09 0.00 -1.74 0.00 0.00 39.64 36.56 1ssg n ILE 138 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ssg h THR 139 N 2.27 1.22 -0.34 7.28 2.02 -1.87 -3.09 112.91 120.41 1ssg h THR 139 Ca 0.41 -1.12 0.06 0.00 0.77 0.00 0.00 66.41 66.53 1ssg h THR 139 Cb 0.69 1.94 -0.08 0.00 -1.74 0.00 0.00 68.15 68.96 1ssg h THR 139 CO 1.07 0.27 -0.44 -0.08 0.37 0.00 0.00 175.52 176.71 1ssg h GLU 140 N -0.61 -0.36 -0.95 6.66 4.81 -1.97 -1.86 114.58 120.31 1ssg h GLU 140 Ca -0.01 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1ssg h GLU 140 Cb 0.52 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.92 1ssg h GLU 140 CO 0.02 -0.24 0.61 -0.22 -0.73 0.00 0.00 179.01 178.44 1ssg h LYS 141 N -0.38 1.11 -0.03 1.92 3.11 -1.90 -2.16 116.57 118.25 1ssg h LYS 141 Ca 0.12 -0.07 -0.04 0.00 -2.81 0.00 0.00 60.65 57.85 1ssg h LYS 141 Cb 0.60 -0.25 0.00 0.00 -1.00 0.00 0.00 32.23 31.58 1ssg h LYS 141 CO -0.54 0.74 -0.14 0.28 -2.81 0.00 0.00 179.45 176.98 1ssg h VAL 142 N 1.14 1.50 0.00 2.00 2.07 -1.38 -1.55 116.25 120.04 1ssg h VAL 142 Ca 0.39 -1.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.18 1ssg h VAL 142 Cb 0.09 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1ssg h VAL 142 CO -0.15 0.45 -0.34 -0.37 0.02 0.00 0.00 177.57 177.19 1ssg h VAL 143 N -0.46 0.99 0.23 2.57 -1.51 -1.31 -1.16 116.25 115.60 1ssg h VAL 143 Ca -0.01 -1.27 -0.01 0.00 -1.23 0.00 0.00 66.70 64.17 1ssg h VAL 143 Cb 0.81 1.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.71 1ssg h VAL 143 CO 0.03 0.33 -0.11 -0.26 -1.23 0.00 0.00 177.57 176.33 1ssg h PHE 144 N 0.00 -0.29 -0.60 5.19 0.05 -1.44 -1.33 116.94 118.52 1ssg h PHE 144 Ca -0.00 -0.01 0.12 0.00 3.82 0.00 0.00 57.97 61.90 1ssg h PHE 144 Cb 0.71 0.10 -0.11 0.00 2.00 0.00 0.00 35.95 38.65 1ssg h PHE 144 CO 0.00 -0.02 -0.05 1.49 -0.18 0.00 0.00 178.31 179.55 1ssg h GLU 145 N -0.54 0.07 -0.38 1.51 4.81 -0.90 -0.46 114.58 118.69 1ssg h GLU 145 Ca -0.03 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.04 1ssg h GLU 145 Cb 0.40 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1ssg h GLU 145 CO 0.05 0.05 -0.36 1.96 -0.73 0.00 0.00 179.01 179.98 1ssg h GLN 146 N 0.07 0.88 -0.04 1.92 4.20 -1.21 -2.63 115.11 118.30 1ssg h GLN 146 Ca 0.31 -0.45 -0.10 0.00 0.06 0.00 0.00 58.65 58.47 1ssg h GLN 146 Cb 0.49 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1ssg h GLN 146 CO -0.56 1.10 -0.43 1.15 -0.67 0.00 0.00 178.83 179.42 1ssg h THR 147 N 0.73 1.32 -0.33 -0.54 2.02 -0.53 -2.50 112.91 113.08 1ssg h THR 147 Ca 0.07 -1.53 -0.10 0.00 0.77 0.00 0.00 66.41 65.62 1ssg h THR 147 Cb 0.94 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 69.12 1ssg h THR 147 CO 0.09 0.44 -0.18 0.50 0.37 0.00 0.00 175.52 176.74 1ssg h LYS 148 N 0.07 0.70 -0.60 6.66 3.64 -0.87 0.15 116.57 126.31 1ssg h LYS 148 Ca 0.00 -0.32 0.08 0.00 -1.27 0.00 0.00 60.65 59.14 1ssg h LYS 148 Cb 0.80 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.57 1ssg h LYS 148 CO 0.06 0.92 0.40 0.00 -2.27 0.00 0.00 179.45 178.56 1ssg h ALA 149 N 0.76 1.90 0.00 5.00 0.00 -1.26 0.24 119.26 125.90 1ssg h ALA 149 Ca 0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1ssg h ALA 149 Cb 0.72 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ssg h ALA 149 CO 0.05 -0.02 -0.24 0.82 0.00 0.00 0.00 179.25 179.87 1ssg h ILE 150 N 0.51 1.57 0.00 0.00 2.04 -0.99 -3.37 117.51 117.26 1ssg h ILE 150 Ca 0.27 -1.98 -0.09 0.00 1.00 0.00 0.00 64.86 64.06 1ssg h ILE 150 Cb 0.40 2.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 1ssg h ILE 150 CO -0.08 0.54 -0.42 0.00 0.00 0.00 0.00 178.15 178.19 1ssg h ALA 151 N 0.23 1.06 -0.16 1.87 0.00 -0.40 -1.72 119.26 120.15 1ssg h ALA 151 Ca -0.03 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.55 1ssg h ALA 151 Cb 1.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1ssg h ALA 151 CO 0.05 0.52 0.20 -0.44 0.00 0.00 0.00 179.25 179.57 1ssg h ASP 152 N 0.00 0.00 -0.28 0.00 5.19 -1.11 -2.85 116.42 117.37 1ssg h ASP 152 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ssg h ASP 152 Cb 0.88 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.39 1ssg h ASP 152 CO 0.05 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.76 1ssg n ASN 153 N -3.71 2.75 -4.21 6.45 3.02 -0.66 -4.91 115.26 113.98 1ssg n ASN 153 Ca 0.01 -2.00 -0.35 0.00 -0.03 0.00 0.00 54.58 52.21 1ssg n ASN 153 Cb 0.31 -0.19 -0.14 0.00 -0.61 0.00 0.00 39.78 39.16 1ssg n ASN 153 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ssg s VAL 154 N -1.00 3.13 0.03 2.41 1.01 -1.08 -4.02 120.40 120.88 1ssg s VAL 154 Ca 0.19 -1.18 0.08 0.00 0.00 0.00 0.00 61.98 61.07 1ssg s VAL 154 Cb 0.10 -2.71 -0.23 0.00 0.00 0.00 0.00 36.38 33.54 1ssg s VAL 154 CO 0.13 -0.00 0.95 0.11 0.00 0.00 0.00 175.10 176.29 1ssg h LYS 155 N 8.05 0.03 -3.99 2.72 1.57 -1.91 -3.46 116.57 119.58 1ssg h LYS 155 Ca -0.26 -0.05 -0.48 0.00 -1.87 0.00 0.00 60.65 58.00 1ssg h LYS 155 Cb 1.08 0.02 -0.37 0.00 0.08 0.00 0.00 32.23 33.04 1ssg h LYS 155 CO 0.56 0.79 -0.78 0.34 -0.57 0.00 0.00 179.45 179.78 1ssg s ASP 156 N -6.46 1.81 0.00 0.86 3.68 -1.26 -5.01 116.67 110.29 1ssg s ASP 156 Ca -0.03 -0.19 0.27 0.00 2.13 0.00 0.00 52.55 54.73 1ssg s ASP 156 Cb 0.09 -0.63 0.88 0.00 -1.45 0.00 0.00 42.92 41.81 1ssg s ASP 156 CO 0.83 -0.14 1.65 0.79 0.13 0.00 0.00 175.17 178.42 1ssg n TRP 157 N 4.94 0.02 0.06 -5.34 7.02 -1.26 -4.37 117.44 118.51 1ssg n TRP 157 Ca -0.11 -0.01 -0.01 0.00 -1.02 0.00 0.00 57.50 56.35 1ssg n TRP 157 Cb 0.50 0.00 0.28 0.00 -2.42 0.00 0.00 31.31 29.67 1ssg n TRP 157 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1ssg h SER 158 N 2.77 0.35 -0.39 -0.99 4.64 -1.98 -2.25 113.55 115.70 1ssg h SER 158 Ca 0.00 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.15 1ssg h SER 158 Cb 0.59 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.54 1ssg h SER 158 CO 0.00 0.57 0.04 0.29 -0.87 0.00 0.00 176.83 176.86 1ssg n LYS 159 N -4.17 3.05 -4.32 4.77 5.02 -1.26 -4.96 118.16 116.28 1ssg n LYS 159 Ca -0.00 -2.98 -0.34 0.00 -2.02 0.00 0.00 58.31 52.97 1ssg n LYS 159 Cb 0.35 -1.95 -0.09 0.00 -0.02 0.00 0.00 35.03 33.33 1ssg n LYS 159 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ssg s VAL 160 N -2.93 4.31 -0.03 -0.18 1.01 -0.85 -1.45 120.40 120.28 1ssg s VAL 160 Ca 0.46 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 62.13 1ssg s VAL 160 Cb 0.38 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 1ssg s VAL 160 CO 0.09 0.51 -0.20 -0.69 0.00 0.00 0.00 175.10 174.81 1ssg s VAL 161 N -0.97 1.59 -0.17 2.92 1.01 0.10 -4.54 120.40 120.35 1ssg s VAL 161 Ca 0.16 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 1ssg s VAL 161 Cb -0.11 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1ssg s VAL 161 CO 0.06 0.45 0.29 -0.76 0.00 0.00 0.00 175.10 175.14 1ssg s LEU 162 N -0.23 4.23 -0.21 3.92 1.43 -0.13 -0.91 118.68 126.77 1ssg s LEU 162 Ca 0.02 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 1ssg s LEU 162 Cb -0.10 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.78 1ssg s LEU 162 CO 0.01 0.09 -0.13 0.00 0.23 0.00 0.00 176.35 176.55 1ssg s ALA 163 N 0.53 2.52 -0.25 4.21 0.00 -0.51 0.12 121.76 128.37 1ssg s ALA 163 Ca 0.16 -1.35 -0.12 0.00 0.00 0.00 0.00 51.96 50.65 1ssg s ALA 163 Cb -0.13 -1.43 -0.05 0.00 0.00 0.00 0.00 23.12 21.51 1ssg s ALA 163 CO 0.04 -0.59 0.23 -0.47 0.00 0.00 0.00 175.76 174.97 1ssg s TYR 164 N 1.30 3.28 -0.38 0.00 5.04 0.73 -0.83 117.35 126.48 1ssg s TYR 164 Ca 0.02 0.27 0.02 0.00 -2.44 0.00 0.00 57.07 54.94 1ssg s TYR 164 Cb -0.15 -2.39 0.15 0.00 0.35 0.00 0.00 41.96 39.93 1ssg s TYR 164 CO -0.09 -0.07 0.27 -1.21 -1.34 0.00 0.00 175.55 173.12 1ssg s GLU 165 N 1.49 0.70 -0.15 4.97 2.02 0.51 -1.17 118.70 127.07 1ssg s GLU 165 Ca 0.10 -1.68 -0.37 0.00 0.02 0.00 0.00 54.97 53.04 1ssg s GLU 165 Cb -0.15 -1.35 -0.14 0.00 0.10 0.00 0.00 34.13 32.60 1ssg s GLU 165 CO 0.08 -1.29 1.77 -0.35 0.02 0.00 0.00 175.26 175.49 1ssg n PRO 166 N 3.50 1.64 0.06 0.39 -0.04 -1.26 -4.36 135.00 134.93 1ssg n PRO 166 Ca 0.20 0.60 -0.12 0.00 -0.04 0.00 0.00 63.50 64.14 1ssg n PRO 166 Cb 0.42 -2.36 -0.07 0.00 -0.04 0.00 0.00 33.50 31.46 1ssg n PRO 166 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ssg h VAL 167 N 5.14 0.94 -0.08 0.52 2.07 -1.45 -0.84 116.25 122.54 1ssg h VAL 167 Ca -0.47 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1ssg h VAL 167 Cb 1.30 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1ssg h VAL 167 CO 0.94 0.00 0.30 4.11 0.02 0.00 0.00 177.57 182.94 1ssg h TRP 168 N -0.06 0.00 -0.00 1.57 5.08 -1.88 -1.31 115.95 119.34 1ssg h TRP 168 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1ssg h TRP 168 Cb 0.06 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.22 1ssg h TRP 168 CO -0.09 0.00 -0.27 0.00 -1.28 0.00 0.00 178.44 176.80 1ssg n ALA 169 N -2.01 3.08 -2.53 0.11 0.00 -0.33 -4.64 120.51 114.19 1ssg n ALA 169 Ca -0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 1ssg n ALA 169 Cb 0.38 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 1ssg n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ssg s ILE 170 N -2.66 4.42 0.00 0.00 1.01 -0.50 -3.08 121.20 120.40 1ssg s ILE 170 Ca 0.21 1.73 0.00 0.00 0.00 0.00 0.00 60.65 62.59 1ssg s ILE 170 Cb 0.19 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1ssg s ILE 170 CO 0.56 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1ssg n GLY 171 N 3.33 1.87 3.36 6.18 0.00 -1.26 -4.96 105.19 113.71 1ssg n GLY 171 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1ssg n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ssg n THR 172 N -1.85 0.00 1.85 2.61 -2.24 -1.26 -4.97 114.28 108.42 1ssg n THR 172 Ca 0.00 -0.72 0.03 0.00 -2.27 0.00 0.00 64.05 61.09 1ssg n THR 172 Cb 0.00 -1.44 0.14 0.00 -2.10 0.00 0.00 70.33 66.94 1ssg n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ssg n GLY 173 N -3.26 -0.77 2.90 3.38 0.00 -1.26 -4.81 105.19 101.37 1ssg n GLY 173 Ca 0.14 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1ssg n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ssg s TYR 174 N -1.94 1.58 0.41 1.61 1.51 -1.26 -5.08 117.35 114.18 1ssg s TYR 174 Ca 0.09 -0.88 0.08 0.00 -1.01 0.00 0.00 57.07 55.35 1ssg s TYR 174 Cb 0.05 -1.27 -0.01 0.00 -0.11 0.00 0.00 41.96 40.62 1ssg s TYR 174 CO 0.07 -0.56 0.46 -1.54 -1.11 0.00 0.00 175.55 172.87 1ssg s SER 175 N 1.68 5.34 0.21 2.29 1.04 -1.26 -4.45 113.70 118.54 1ssg s SER 175 Ca 0.03 -0.59 0.04 0.00 0.48 0.00 0.00 55.95 55.92 1ssg s SER 175 Cb -0.14 -0.64 0.14 0.00 0.10 0.00 0.00 66.02 65.48 1ssg s SER 175 CO -0.08 -0.68 1.48 -0.07 0.98 0.00 0.00 173.24 174.87 1ssg h LEU 176 N 0.87 0.22 0.00 2.42 3.38 -1.94 -3.50 115.31 116.76 1ssg h LEU 176 Ca -0.41 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1ssg h LEU 176 Cb 1.27 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1ssg h LEU 176 CO 0.52 0.87 0.00 0.35 0.09 0.00 0.00 178.44 180.28 1ssg n THR 177 N -3.75 -0.82 -0.33 0.22 -2.24 -1.26 -4.40 114.28 101.69 1ssg n THR 177 Ca -0.03 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.90 1ssg n THR 177 Cb 0.71 -0.08 0.28 0.00 -2.10 0.00 0.00 70.33 69.14 1ssg n THR 177 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1ssg n PRO 178 N -0.39 -0.08 0.07 -0.78 -0.02 -1.26 -1.77 135.00 130.77 1ssg n PRO 178 Ca 0.00 1.44 -0.13 0.00 -2.02 0.00 0.00 63.50 62.79 1ssg n PRO 178 Cb 0.00 -2.28 -0.09 0.00 -0.02 0.00 0.00 33.50 31.12 1ssg n PRO 178 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1ssg h GLN 179 N 0.00 -0.17 -0.77 -0.52 7.50 -1.96 -0.70 115.11 118.48 1ssg h GLN 179 Ca 0.58 0.01 0.02 0.00 0.50 0.00 0.00 58.65 59.76 1ssg h GLN 179 Cb 1.19 0.04 -0.04 0.00 0.05 0.00 0.00 27.48 28.72 1ssg h GLN 179 CO -0.90 0.15 0.51 1.96 -1.50 0.00 0.00 178.83 179.05 1ssg h GLN 180 N -0.51 0.98 -0.21 1.46 4.20 -1.55 -1.65 115.11 117.84 1ssg h GLN 180 Ca -0.02 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1ssg h GLN 180 Cb 0.41 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1ssg h GLN 180 CO 0.03 0.65 -0.01 0.00 -0.67 0.00 0.00 178.83 178.83 1ssg h ALA 181 N 1.53 0.28 -0.37 3.87 0.00 -1.33 -3.27 119.26 119.97 1ssg h ALA 181 Ca 0.29 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ssg h ALA 181 Cb -0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1ssg h ALA 181 CO -0.07 0.01 0.22 0.37 0.00 0.00 0.00 179.25 179.79 1ssg h GLN 182 N 0.13 0.44 -1.01 0.00 5.75 -0.63 -1.76 115.11 118.02 1ssg h GLN 182 Ca 0.06 -0.03 0.25 0.00 -0.15 0.00 0.00 58.65 58.78 1ssg h GLN 182 Cb 0.42 -0.10 -0.12 0.00 1.07 0.00 0.00 27.48 28.75 1ssg h GLN 182 CO 0.01 0.29 0.61 1.49 -2.65 0.00 0.00 178.83 178.58 1ssg h GLU 183 N 0.46 0.53 0.17 1.69 4.81 -1.37 0.18 114.58 121.05 1ssg h GLU 183 Ca 0.14 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 59.10 1ssg h GLU 183 Cb -0.01 -0.12 0.02 0.00 0.63 0.00 0.00 28.75 29.27 1ssg h GLU 183 CO -0.06 0.35 -1.12 0.28 -0.73 0.00 0.00 179.01 177.73 1ssg h VAL 184 N 0.54 1.36 -0.28 0.32 2.07 -1.42 -2.97 116.25 115.87 1ssg h VAL 184 Ca 0.64 -2.56 -0.05 0.00 0.82 0.00 0.00 66.70 65.55 1ssg h VAL 184 Cb 1.29 3.08 -0.01 0.00 -1.52 0.00 0.00 31.29 34.13 1ssg h VAL 184 CO -0.46 0.75 -0.03 0.45 0.02 0.00 0.00 177.57 178.30 1ssg h HIS 185 N -0.20 0.57 -0.74 1.57 3.86 -0.64 0.11 115.15 119.69 1ssg h HIS 185 Ca -0.20 -0.11 0.15 0.00 -1.16 0.00 0.00 60.37 59.05 1ssg h HIS 185 Cb 1.82 -0.14 -0.10 0.00 1.06 0.00 0.00 27.41 30.05 1ssg h HIS 185 CO 0.17 0.69 0.23 1.49 0.86 0.00 0.00 177.93 181.37 1ssg h GLU 186 N 0.29 0.33 -0.35 2.45 4.81 -0.80 -0.72 114.58 120.59 1ssg h GLU 186 Ca 0.08 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.15 1ssg h GLU 186 Cb 0.49 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1ssg h GLU 186 CO 0.02 0.22 -0.30 0.87 -0.73 0.00 0.00 179.01 179.09 1ssg h LYS 187 N 0.34 0.82 -0.46 1.92 1.57 -1.22 -1.81 116.57 117.72 1ssg h LYS 187 Ca 0.41 -0.41 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1ssg h LYS 187 Cb 0.68 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1ssg h LYS 187 CO -0.46 1.05 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.35 1ssg h LEU 188 N 0.61 0.84 -0.46 2.94 3.38 -0.26 -0.78 115.31 121.58 1ssg h LEU 188 Ca 0.06 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.74 1ssg h LEU 188 Cb 0.87 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1ssg h LEU 188 CO 0.08 0.98 0.22 -0.09 0.09 0.00 0.00 178.44 179.71 1ssg h ARG 189 N 0.70 0.42 -0.79 1.13 2.43 -1.12 -1.65 114.38 115.50 1ssg h ARG 189 Ca 0.13 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.36 1ssg h ARG 189 Cb 0.57 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 1ssg h ARG 189 CO 0.03 0.28 0.51 0.78 -1.51 0.00 0.00 179.97 180.06 1ssg h GLY 190 N 0.43 1.03 0.76 2.80 0.00 -0.82 0.16 103.07 107.43 1ssg h GLY 190 Ca 0.21 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1ssg h GLY 190 CO -0.16 0.18 -0.06 -0.25 0.00 0.00 0.00 176.54 176.24 1ssg h TRP 191 N 0.73 0.37 -0.81 5.60 7.01 -0.47 -2.80 115.95 125.58 1ssg h TRP 191 Ca 0.36 -0.09 0.05 0.00 2.11 0.00 0.00 58.89 61.32 1ssg h TRP 191 Cb 0.44 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.36 1ssg h TRP 191 CO -0.00 0.63 0.53 -0.07 -2.79 0.00 0.00 178.44 176.74 1ssg h LEU 192 N 0.01 0.83 0.02 0.65 3.38 -0.38 0.85 115.31 120.67 1ssg h LEU 192 Ca 0.04 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1ssg h LEU 192 Cb 0.52 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1ssg h LEU 192 CO 0.02 0.55 -0.19 0.50 0.09 0.00 0.00 178.44 179.41 1ssg h LYS 193 N 0.95 -0.31 0.15 1.13 3.64 -0.55 -1.36 116.57 120.22 1ssg h LYS 193 Ca 0.34 0.02 -0.32 0.00 -1.27 0.00 0.00 60.65 59.42 1ssg h LYS 193 Cb 0.12 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1ssg h LYS 193 CO -0.11 -0.20 -1.55 0.66 -2.27 0.00 0.00 179.45 175.98 1ssg h SER 194 N -0.32 0.50 1.06 4.20 4.64 -1.25 -3.27 113.55 119.11 1ssg h SER 194 Ca 0.05 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 1ssg h SER 194 Cb 0.38 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1ssg h SER 194 CO -0.17 1.55 -0.56 0.45 -0.87 0.00 0.00 176.83 177.23 1ssg h HIS 195 N 0.09 0.00 0.00 4.77 3.86 -0.88 -3.44 115.15 119.55 1ssg h HIS 195 Ca -0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 1ssg h HIS 195 Cb 2.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.52 1ssg h HIS 195 CO 0.08 0.00 0.00 0.28 0.86 0.00 0.00 177.93 179.15 1ssg n VAL 196 N -2.31 0.00 -3.59 2.45 0.31 -0.60 -5.03 118.33 109.55 1ssg n VAL 196 Ca 0.03 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.39 1ssg n VAL 196 Cb 0.46 -0.41 -0.00 0.00 -0.91 0.00 0.00 33.84 32.98 1ssg n VAL 196 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1ssg s SER 197 N -3.48 -0.03 0.18 4.52 1.04 -0.66 -4.99 113.70 110.28 1ssg s SER 197 Ca 0.00 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.37 1ssg s SER 197 Cb 0.00 0.10 0.07 0.00 0.10 0.00 0.00 66.02 66.28 1ssg s SER 197 CO 0.00 -0.18 1.43 -0.78 0.98 0.00 0.00 173.24 174.69 1ssg h ASP 198 N 2.00 0.30 0.66 7.02 1.82 -1.83 -2.06 116.42 124.34 1ssg h ASP 198 Ca -0.32 -0.22 -0.18 0.00 -0.39 0.00 0.00 57.03 55.92 1ssg h ASP 198 Cb 1.20 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 41.10 1ssg h ASP 198 CO 0.29 0.97 -0.81 0.00 -1.61 0.00 0.00 179.24 178.08 1ssg h ALA 199 N 1.02 0.64 -0.16 -0.78 0.00 -1.95 0.22 119.26 118.24 1ssg h ALA 199 Ca -0.03 -0.70 -0.10 0.00 0.00 0.00 0.00 54.91 54.08 1ssg h ALA 199 Cb 1.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ssg h ALA 199 CO 0.12 0.93 -0.28 0.28 0.00 0.00 0.00 179.25 180.30 1ssg h VAL 200 N 0.06 1.35 -0.71 0.00 2.07 -1.92 -2.42 116.25 114.69 1ssg h VAL 200 Ca -0.02 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 65.97 1ssg h VAL 200 Cb 1.42 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.10 1ssg h VAL 200 CO 0.12 0.46 0.42 0.00 0.02 0.00 0.00 177.57 178.58 1ssg h ALA 201 N 0.57 1.41 0.00 1.67 0.00 -1.20 -0.88 119.26 120.84 1ssg h ALA 201 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ssg h ALA 201 Cb 0.87 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ssg h ALA 201 CO 0.06 0.51 -0.34 1.96 0.00 0.00 0.00 179.25 181.44 1ssg h GLN 202 N 0.97 0.00 0.00 0.00 1.08 -0.61 -3.35 115.11 113.20 1ssg h GLN 202 Ca 0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1ssg h GLN 202 Cb -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1ssg h GLN 202 CO -0.05 0.00 -1.16 -1.13 -0.95 0.00 0.00 178.83 175.55 1ssg n SER 203 N -2.80 1.44 -4.73 1.46 3.41 -0.91 -4.65 113.62 106.83 1ssg n SER 203 Ca 0.03 -0.34 -0.39 0.00 -0.26 0.00 0.00 58.87 57.91 1ssg n SER 203 Cb 0.52 1.33 -0.05 0.00 -0.26 0.00 0.00 64.21 65.75 1ssg n SER 203 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ssg s THR 204 N -2.58 4.98 -0.14 6.66 2.01 -0.35 -4.86 115.64 121.36 1ssg s THR 204 Ca -0.01 1.42 -0.26 0.00 0.31 0.00 0.00 61.69 63.15 1ssg s THR 204 Cb 0.09 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 1ssg s THR 204 CO 0.52 0.30 0.87 -0.13 -0.69 0.00 0.00 174.62 175.50 1ssg s ARG 205 N 0.46 4.35 -0.29 4.92 3.00 -1.26 -4.97 118.95 125.17 1ssg s ARG 205 Ca 0.36 1.11 -0.06 0.00 0.00 0.00 0.00 55.73 57.14 1ssg s ARG 205 Cb -0.18 -3.55 0.01 0.00 0.00 0.00 0.00 34.95 31.22 1ssg s ARG 205 CO 0.18 -0.28 0.06 0.42 0.00 0.00 0.00 175.30 175.69 1ssg s ILE 206 N 1.96 3.89 0.07 1.52 1.01 -1.26 -0.95 121.20 127.43 1ssg s ILE 206 Ca 0.41 -0.67 0.05 0.00 0.00 0.00 0.00 60.65 60.43 1ssg s ILE 206 Cb -0.17 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 1ssg s ILE 206 CO 0.15 0.12 -0.03 0.27 0.00 0.00 0.00 174.94 175.44 1ssg s ILE 207 N 1.49 3.84 -0.08 2.92 -4.36 0.32 -2.07 121.20 123.27 1ssg s ILE 207 Ca 0.03 -0.96 -0.09 0.00 -0.26 0.00 0.00 60.65 59.37 1ssg s ILE 207 Cb -0.17 -2.78 -0.05 0.00 1.25 0.00 0.00 42.46 40.72 1ssg s ILE 207 CO 0.02 0.20 0.22 -0.47 0.24 0.00 0.00 174.94 175.15 1ssg s TYR 208 N -1.21 3.64 0.19 1.37 6.14 -0.98 -0.19 117.35 126.31 1ssg s TYR 208 Ca 0.22 0.66 0.06 0.00 0.64 0.00 0.00 57.07 58.66 1ssg s TYR 208 Cb -0.11 -2.04 -0.05 0.00 0.42 0.00 0.00 41.96 40.18 1ssg s TYR 208 CO 0.14 0.71 -0.11 0.20 0.64 0.00 0.00 175.55 177.13 1ssg s GLY 209 N -1.08 1.36 0.00 8.97 0.00 -0.32 -1.21 107.32 115.04 1ssg s GLY 209 Ca 0.18 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.27 1ssg s GLY 209 CO 0.07 -1.71 0.00 0.61 0.00 0.00 0.00 173.10 172.08 1ssg n GLY 210 N -0.34 1.95 3.84 0.20 0.00 -1.26 -4.16 105.19 105.41 1ssg n GLY 210 Ca -0.08 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 1ssg n GLY 210 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ssg n SER 211 N 0.00 -3.26 -4.69 1.61 7.64 -1.18 -4.38 113.62 109.37 1ssg n SER 211 Ca 0.00 -0.80 -0.42 0.00 1.01 0.00 0.00 58.87 58.65 1ssg n SER 211 Cb 0.00 -3.92 -0.03 0.00 -1.01 0.00 0.00 64.21 59.26 1ssg n SER 211 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ssg s VAL 212 N -3.47 4.77 0.30 0.44 1.01 -1.26 -4.55 120.40 117.64 1ssg s VAL 212 Ca 0.39 2.02 0.05 0.00 0.00 0.00 0.00 61.98 64.44 1ssg s VAL 212 Cb -0.19 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 31.82 1ssg s VAL 212 CO 0.83 0.03 -0.00 0.42 0.00 0.00 0.00 175.10 176.37 1ssg s THR 213 N 1.84 1.43 0.56 3.92 -4.23 -1.26 -4.52 115.64 113.38 1ssg s THR 213 Ca 0.49 -2.06 0.27 0.00 -1.18 0.00 0.00 61.69 59.21 1ssg s THR 213 Cb -0.19 -2.62 0.38 0.00 1.34 0.00 0.00 72.50 71.41 1ssg s THR 213 CO 0.20 -0.16 2.02 1.23 -0.54 0.00 0.00 174.62 177.36 1ssg h GLY 214 N 2.20 0.00 2.00 3.99 0.00 -1.95 -2.51 103.07 106.80 1ssg h GLY 214 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1ssg h GLY 214 CO 0.69 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.90 1ssg h GLY 215 N 0.00 0.00 -0.04 4.60 0.00 -1.95 -3.36 103.07 102.32 1ssg h GLY 215 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1ssg h GLY 215 CO -0.00 0.00 -0.06 1.16 0.00 0.00 0.00 176.54 177.64 1ssg n ASN 216 N -2.98 0.34 0.03 0.19 0.23 -1.02 -4.83 115.26 107.21 1ssg n ASN 216 Ca 0.04 -0.67 -0.11 0.00 -0.53 0.00 0.00 54.58 53.31 1ssg n ASN 216 Cb 0.49 0.76 0.02 0.00 -2.08 0.00 0.00 39.78 38.97 1ssg n ASN 216 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ssg h LYS 218 N 0.36 -0.11 -0.70 0.00 6.56 -1.83 0.10 116.57 120.95 1ssg h LYS 218 Ca -0.02 0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.53 1ssg h LYS 218 Cb 1.26 0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 32.92 1ssg h LYS 218 CO 0.12 -0.07 0.28 0.93 -2.06 0.00 0.00 179.45 178.65 1ssg h GLU 219 N -0.11 1.04 -0.31 3.15 5.08 -1.88 -2.27 114.58 119.27 1ssg h GLU 219 Ca 0.17 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1ssg h GLU 219 Cb 0.38 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1ssg h GLU 219 CO -0.42 0.86 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.38 1ssg h LEU 220 N 0.99 0.55 -1.12 1.33 3.38 -1.25 -3.09 115.31 116.10 1ssg h LEU 220 Ca 0.23 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1ssg h LEU 220 Cb 0.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ssg h LEU 220 CO -0.02 0.73 -0.18 0.00 0.09 0.00 0.00 178.44 179.05 1ssg h ALA 221 N 0.84 1.01 -0.24 1.53 0.00 -0.93 -2.50 119.26 118.98 1ssg h ALA 221 Ca 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1ssg h ALA 221 Cb 0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ssg h ALA 221 CO 0.02 0.23 -0.00 1.03 0.00 0.00 0.00 179.25 180.53 1ssg h SER 222 N 0.00 0.32 -3.64 0.00 0.87 -1.32 -3.44 113.55 106.34 1ssg h SER 222 Ca -0.00 -0.05 -0.56 0.00 -1.23 0.00 0.00 61.79 59.95 1ssg h SER 222 Cb 0.72 -0.08 0.13 0.00 -0.44 0.00 0.00 62.40 62.73 1ssg h SER 222 CO 0.02 0.38 0.47 0.00 -0.53 0.00 0.00 176.83 177.17 1ssg n GLN 223 N -4.34 1.76 -0.06 2.24 1.13 -0.94 -4.92 117.38 112.25 1ssg n GLN 223 Ca 0.00 0.63 -0.12 0.00 -1.94 0.00 0.00 57.00 55.57 1ssg n GLN 223 Cb 0.20 -2.39 0.00 0.00 0.11 0.00 0.00 30.24 28.16 1ssg n GLN 223 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1ssg h HIS 224 N 1.77 0.96 -0.59 1.08 3.86 -1.88 -2.98 115.15 117.37 1ssg h HIS 224 Ca -0.48 -0.33 -0.05 0.00 -1.16 0.00 0.00 60.37 58.35 1ssg h HIS 224 Cb 1.30 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 29.56 1ssg h HIS 224 CO 0.46 1.12 0.06 -0.25 0.86 0.00 0.00 177.93 180.18 1ssg n ASP 225 N -4.00 5.42 -4.32 2.45 9.92 -1.26 -4.85 116.55 119.90 1ssg n ASP 225 Ca -0.03 -3.01 -0.36 0.00 -0.53 0.00 0.00 54.79 50.85 1ssg n ASP 225 Cb 0.60 -0.69 -0.13 0.00 -0.64 0.00 0.00 41.12 40.26 1ssg n ASP 225 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ssg s VAL 226 N -2.83 3.75 -1.10 2.53 1.01 -1.13 -4.69 120.40 117.94 1ssg s VAL 226 Ca 0.54 -0.69 0.11 0.00 0.00 0.00 0.00 61.98 61.94 1ssg s VAL 226 Cb 0.42 -2.90 0.27 0.00 0.00 0.00 0.00 36.38 34.17 1ssg s VAL 226 CO 0.15 0.15 1.18 0.47 0.00 0.00 0.00 175.10 177.05 1ssg n ASP 227 N 4.83 2.75 0.00 3.32 10.43 -0.88 -4.79 116.55 132.22 1ssg n ASP 227 Ca -0.15 -1.88 0.00 0.00 2.57 0.00 0.00 54.79 55.33 1ssg n ASP 227 Cb 0.48 -0.19 0.00 0.00 1.84 0.00 0.00 41.12 43.25 1ssg n ASP 227 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ssg n GLY 228 N 0.60 -0.10 3.05 0.44 0.00 -1.26 -1.65 105.19 106.27 1ssg n GLY 228 Ca 0.11 -1.17 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 1ssg n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ssg s PHE 229 N -3.51 0.06 -0.26 1.61 0.08 -0.66 -2.32 117.98 112.98 1ssg s PHE 229 Ca 0.00 -0.14 -0.08 0.00 0.12 0.00 0.00 56.93 56.83 1ssg s PHE 229 Cb 0.00 -0.06 -0.03 0.00 -0.57 0.00 0.00 43.02 42.36 1ssg s PHE 229 CO 0.00 -0.21 0.09 -1.17 -0.10 0.00 0.00 175.22 173.83 1ssg s LEU 230 N -1.07 3.55 -0.15 -0.37 2.96 -0.35 -0.75 118.68 122.50 1ssg s LEU 230 Ca -0.12 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1ssg s LEU 230 Cb -0.07 -1.94 -0.00 0.00 0.50 0.00 0.00 46.19 44.68 1ssg s LEU 230 CO 0.01 -0.05 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.13 1ssg s VAL 231 N 1.62 2.63 0.00 1.68 1.01 0.03 -4.10 120.40 123.27 1ssg s VAL 231 Ca 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1ssg s VAL 231 Cb -0.15 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1ssg s VAL 231 CO 0.04 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1ssg n GLY 232 N 3.93 0.62 0.37 4.51 0.00 -1.26 -0.33 105.19 113.03 1ssg n GLY 232 Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1ssg n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ssg h GLY 233 N 0.00 0.84 2.00 -0.02 0.00 -1.91 -1.45 103.07 102.53 1ssg h GLY 233 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1ssg h GLY 233 CO 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 176.54 176.54 1ssg h ALA 234 N 1.64 1.12 0.00 3.60 0.00 -1.87 -3.00 119.26 120.75 1ssg h ALA 234 Ca 0.36 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1ssg h ALA 234 Cb 0.65 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ssg h ALA 234 CO -0.13 0.14 -0.20 0.66 0.00 0.00 0.00 179.25 179.71 1ssg h SER 235 N 0.00 0.00 1.46 0.00 4.64 -1.46 -1.34 113.55 116.86 1ssg h SER 235 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ssg h SER 235 Cb 0.45 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1ssg h SER 235 CO 0.01 0.20 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.09 1ssg h LEU 236 N 0.00 0.00-10.52 5.97 3.38 -1.67 -3.45 115.31 109.02 1ssg h LEU 236 Ca -0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 1ssg h LEU 236 Cb 0.42 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.21 1ssg h LEU 236 CO 0.03 0.02 -0.08 -0.54 0.09 0.00 0.00 178.44 177.96 1ssg s LYS 237 N -3.45 2.50 0.41 1.13 -0.14 -0.51 -4.95 119.74 114.72 1ssg s LYS 237 Ca 0.04 -1.00 0.11 0.00 -1.36 0.00 0.00 55.97 53.75 1ssg s LYS 237 Cb 0.07 -2.55 0.87 0.00 -1.68 0.00 0.00 37.83 34.54 1ssg s LYS 237 CO 0.61 -0.70 1.96 -1.00 -0.76 0.00 0.00 175.35 175.46 1ssg h PRO 238 N 0.15 0.21 0.00 -1.68 0.13 -1.90 -3.10 132.00 125.81 1ssg h PRO 238 Ca -0.40 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1ssg h PRO 238 Cb 1.29 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ssg h PRO 238 CO 0.48 0.31 0.00 -0.85 -0.23 0.00 0.00 178.00 177.71 1ssg n GLU 239 N -4.33 0.31 -0.35 0.86 0.28 -1.26 -2.13 120.64 114.02 1ssg n GLU 239 Ca -0.01 0.09 0.08 0.00 -0.16 0.00 0.00 57.16 57.16 1ssg n GLU 239 Cb 0.23 -1.50 0.25 0.00 1.43 0.00 0.00 31.44 31.85 1ssg n GLU 239 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1ssg h PHE 240 N 0.00 1.11 -0.39 -1.84 3.57 -1.46 -2.56 116.94 115.36 1ssg h PHE 240 Ca 0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1ssg h PHE 240 Cb 0.09 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 1ssg h PHE 240 CO 0.00 0.44 0.19 0.28 -2.23 0.00 0.00 178.31 176.99 1ssg h VAL 241 N 0.97 0.96 -0.34 1.41 2.07 -1.70 -1.32 116.25 118.30 1ssg h VAL 241 Ca 0.49 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.82 1ssg h VAL 241 Cb 0.50 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1ssg h VAL 241 CO -0.25 0.07 -0.02 0.44 0.02 0.00 0.00 177.57 177.83 1ssg h ASP 242 N 0.38 0.51 0.13 0.57 3.32 -1.67 -1.57 116.42 118.09 1ssg h ASP 242 Ca 0.17 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 56.98 1ssg h ASP 242 Cb 0.09 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1ssg h ASP 242 CO -0.13 0.59 -0.50 0.40 -1.72 0.00 0.00 179.24 177.88 1ssg h ILE 243 N 0.52 1.33 -0.30 0.35 2.04 -1.05 -1.42 117.51 118.98 1ssg h ILE 243 Ca 0.11 -1.74 -0.06 0.00 1.00 0.00 0.00 64.86 64.17 1ssg h ILE 243 Cb 0.36 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1ssg h ILE 243 CO 0.01 0.53 -0.07 0.40 0.00 0.00 0.00 178.15 179.02 1ssg h ILE 244 N 0.33 1.21 -0.39 -0.67 2.04 -0.85 -2.59 117.51 116.59 1ssg h ILE 244 Ca 0.01 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1ssg h ILE 244 Cb 1.00 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1ssg h ILE 244 CO 0.09 0.30 0.00 0.59 0.00 0.00 0.00 178.15 179.12 1ssg n ASN 245 N -4.24 3.36 0.16 1.72 3.02 -0.63 -4.63 115.26 114.02 1ssg n ASN 245 Ca 0.01 -2.36 0.18 0.00 -0.03 0.00 0.00 54.58 52.38 1ssg n ASN 245 Cb 0.28 -0.50 0.79 0.00 -0.61 0.00 0.00 39.78 39.75 1ssg n ASN 245 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ssg h ALA 246 N 3.46 1.93 0.00 5.41 0.00 -0.86 -0.05 119.26 129.15 1ssg h ALA 246 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ssg h ALA 246 Cb 1.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ssg h ALA 246 CO 0.19 -0.44 -0.97 1.63 0.00 0.00 0.00 179.25 179.66 1ssg n LYS 247 N -3.77 0.38 0.00 0.00 5.02 -1.26 -4.33 118.16 114.20 1ssg n LYS 247 Ca 0.04 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1ssg n LYS 247 Cb 0.44 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1ssg n LYS 247 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60