#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sw3 s PRO 3 N 0.00 4.54 0.01 0.00 0.04 -1.26 -4.86 135.00 133.48 1sw3 s PRO 3 Ca 0.00 1.14 -0.28 0.00 0.04 0.00 0.00 61.00 61.90 1sw3 s PRO 3 Cb 0.00 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1sw3 s PRO 3 CO 0.00 0.36 0.89 1.03 0.04 0.00 0.00 177.00 179.32 1sw3 s ARG 4 N -0.37 4.55 0.09 4.56 0.52 -1.26 -5.01 118.95 122.04 1sw3 s ARG 4 Ca 0.39 1.27 -0.31 0.00 -0.52 0.00 0.00 55.73 56.56 1sw3 s ARG 4 Cb -0.22 -3.43 -0.08 0.00 0.52 0.00 0.00 34.95 31.74 1sw3 s ARG 4 CO 0.25 0.07 1.54 0.21 0.02 0.00 0.00 175.30 177.39 1sw3 s LYS 5 N 0.62 4.24 0.30 3.54 2.20 -1.26 -4.96 119.74 124.42 1sw3 s LYS 5 Ca 0.46 2.23 -0.30 0.00 -0.36 0.00 0.00 55.97 58.01 1sw3 s LYS 5 Cb -0.21 -3.41 -0.12 0.00 -1.51 0.00 0.00 37.83 32.58 1sw3 s LYS 5 CO 0.26 -0.62 1.56 0.34 -0.36 0.00 0.00 175.35 176.53 1sw3 n PHE 6 N 4.83 2.80 -4.24 4.03 -0.00 -1.25 -4.84 117.46 118.80 1sw3 n PHE 6 Ca 0.14 0.30 -0.26 0.00 -0.00 0.00 0.00 57.45 57.63 1sw3 n PHE 6 Cb 0.41 -2.57 -0.17 0.00 -0.00 0.00 0.00 39.48 37.15 1sw3 n PHE 6 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.76 176.88 1sw3 s PHE 7 N -0.17 1.52 -0.13 -5.13 2.19 -0.67 -0.88 117.98 114.70 1sw3 s PHE 7 Ca 0.63 -0.68 -0.00 0.00 0.33 0.00 0.00 56.93 57.21 1sw3 s PHE 7 Cb -0.51 -1.18 0.03 0.00 -1.31 0.00 0.00 43.02 40.05 1sw3 s PHE 7 CO 0.51 -0.41 -0.10 0.08 1.83 0.00 0.00 175.22 177.13 1sw3 s VAL 8 N 1.19 1.28 -0.04 3.12 1.01 -0.33 -1.15 120.40 125.47 1sw3 s VAL 8 Ca -0.05 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1sw3 s VAL 8 Cb -0.14 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1sw3 s VAL 8 CO -0.03 0.38 -0.02 -0.83 0.00 0.00 0.00 175.10 174.60 1sw3 s GLY 9 N 1.60 1.81 -0.16 4.51 0.00 -0.46 -1.64 107.32 112.99 1sw3 s GLY 9 Ca 0.04 -0.90 -0.04 0.00 0.00 0.00 0.00 44.72 43.83 1sw3 s GLY 9 CO -0.09 -0.72 -0.04 -0.32 0.00 0.00 0.00 173.10 171.93 1sw3 s GLY 10 N -1.17 1.71 -0.41 0.20 0.00 0.86 -1.05 107.32 107.46 1sw3 s GLY 10 Ca 0.16 -0.84 -0.08 0.00 0.00 0.00 0.00 44.72 43.95 1sw3 s GLY 10 CO 0.05 -0.04 0.24 0.21 0.00 0.00 0.00 173.10 173.56 1sw3 s ASN 11 N 0.43 5.58 0.02 1.64 2.47 0.69 0.61 114.94 126.37 1sw3 s ASN 11 Ca -0.04 -1.50 0.19 0.00 0.42 0.00 0.00 52.86 51.93 1sw3 s ASN 11 Cb -0.14 -1.96 0.81 0.00 -1.45 0.00 0.00 41.25 38.50 1sw3 s ASN 11 CO 0.03 -0.52 1.61 0.79 -3.72 0.00 0.00 177.10 175.29 1sw3 n TRP 12 N 4.88 0.07 -3.15 0.43 8.01 -0.58 -4.37 117.44 122.73 1sw3 n TRP 12 Ca -0.10 0.02 0.00 0.00 -1.31 0.00 0.00 57.50 56.12 1sw3 n TRP 12 Cb 0.43 -0.54 0.00 0.00 -2.01 0.00 0.00 31.31 29.19 1sw3 n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1sw3 n LYS 13 N -1.56 0.00 -2.78 -0.99 5.02 -1.26 -3.11 118.16 113.48 1sw3 n LYS 13 Ca 0.04 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.90 1sw3 n LYS 13 Cb 0.22 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.24 1sw3 n LYS 13 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1sw3 n MET 14 N 5.24 3.98 -3.92 1.97 0.00 -1.26 -4.28 117.12 118.85 1sw3 n MET 14 Ca 0.00 -4.10 -0.10 0.00 -0.00 0.00 0.00 57.70 53.50 1sw3 n MET 14 Cb 0.00 -2.72 -0.10 0.00 0.00 0.00 0.00 33.22 30.40 1sw3 n MET 14 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1sw3 s ASN 15 N -0.10 0.12 0.00 6.12 0.01 -1.18 -5.14 114.94 114.76 1sw3 s ASN 15 Ca 0.35 -0.33 0.00 0.00 -0.71 0.00 0.00 52.86 52.18 1sw3 s ASN 15 Cb 0.05 0.16 0.00 0.00 0.41 0.00 0.00 41.25 41.87 1sw3 s ASN 15 CO 0.04 -0.33 0.00 0.61 -1.51 0.00 0.00 177.10 175.91 1sw3 n GLY 16 N 1.54 2.93 3.39 0.66 0.00 -1.26 -4.79 105.19 107.66 1sw3 n GLY 16 Ca -0.23 -1.87 -0.21 0.00 0.00 0.00 0.00 46.02 43.71 1sw3 n GLY 16 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1sw3 s ASP 17 N 0.00 2.00 0.23 1.61 1.47 -1.26 -4.99 116.67 115.73 1sw3 s ASP 17 Ca 0.00 -1.64 -0.06 0.00 1.18 0.00 0.00 52.55 52.03 1sw3 s ASP 17 Cb 0.00 0.46 0.34 0.00 -0.34 0.00 0.00 42.92 43.38 1sw3 s ASP 17 CO 0.00 -0.94 1.81 0.11 0.68 0.00 0.00 175.17 176.83 1sw3 h LYS 18 N 2.05 0.73 -0.13 2.11 1.57 -1.99 0.30 116.57 121.21 1sw3 h LYS 18 Ca -0.32 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.23 1sw3 h LYS 18 Cb 1.25 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 33.41 1sw3 h LYS 18 CO 0.50 0.48 -0.63 1.57 -0.57 0.00 0.00 179.45 180.81 1sw3 h LYS 19 N 0.75 0.65 -0.06 3.15 5.09 -1.98 0.27 116.57 124.44 1sw3 h LYS 19 Ca 0.36 -0.53 -0.17 0.00 0.09 0.00 0.00 60.65 60.40 1sw3 h LYS 19 Cb 0.30 0.11 -0.01 0.00 0.10 0.00 0.00 32.23 32.73 1sw3 h LYS 19 CO -0.23 1.15 -0.71 0.66 -2.09 0.00 0.00 179.45 178.24 1sw3 h SER 20 N 0.32 0.34 0.34 7.07 4.64 -1.93 -2.49 113.55 121.84 1sw3 h SER 20 Ca -0.04 -0.22 -0.17 0.00 -0.47 0.00 0.00 61.79 60.88 1sw3 h SER 20 Cb 1.26 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1sw3 h SER 20 CO 0.13 0.94 -0.71 -0.07 -0.87 0.00 0.00 176.83 176.24 1sw3 h LEU 21 N 0.20 0.38 -0.83 5.97 3.38 -0.96 -2.50 115.31 120.94 1sw3 h LEU 21 Ca -0.02 -0.25 0.12 0.00 0.09 0.00 0.00 57.88 57.82 1sw3 h LEU 21 Cb 1.26 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.82 1sw3 h LEU 21 CO 0.11 0.97 0.46 1.23 0.09 0.00 0.00 178.44 181.30 1sw3 h GLY 22 N 1.43 1.32 0.94 0.83 0.00 -0.84 0.35 103.07 107.10 1sw3 h GLY 22 Ca -0.02 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 46.88 1sw3 h GLY 22 CO 0.12 0.06 -0.43 0.83 0.00 0.00 0.00 176.54 177.12 1sw3 h GLU 23 N 0.72 0.61 -0.49 4.80 5.08 -1.28 -1.54 114.58 122.48 1sw3 h GLU 23 Ca 0.42 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1sw3 h GLU 23 Cb 0.48 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1sw3 h GLU 23 CO -0.29 1.03 0.31 1.25 -1.00 0.00 0.00 179.01 180.31 1sw3 h LEU 24 N 0.29 0.58 -0.74 1.33 5.85 -1.11 -2.10 115.31 119.40 1sw3 h LEU 24 Ca -0.00 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1sw3 h LEU 24 Cb 1.03 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 1sw3 h LEU 24 CO 0.09 0.45 0.23 0.40 -0.34 0.00 0.00 178.44 179.27 1sw3 h ILE 25 N 0.66 1.26 -0.61 4.05 2.04 -0.86 -1.76 117.51 122.30 1sw3 h ILE 25 Ca 0.18 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 65.14 1sw3 h ILE 25 Cb -0.04 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 1sw3 h ILE 25 CO -0.04 0.36 0.39 -0.74 0.00 0.00 0.00 178.15 178.12 1sw3 h HIS 26 N 1.10 0.74 -0.64 1.37 2.76 -1.01 -0.50 115.15 118.97 1sw3 h HIS 26 Ca 0.24 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1sw3 h HIS 26 Cb 0.31 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 1sw3 h HIS 26 CO 0.03 0.45 0.38 1.15 -1.30 0.00 0.00 177.93 178.64 1sw3 h THR 27 N 0.79 1.19 -0.29 6.26 2.02 -1.10 -1.97 112.91 119.81 1sw3 h THR 27 Ca 0.23 -0.43 -0.10 0.00 0.77 0.00 0.00 66.41 66.88 1sw3 h THR 27 Cb -0.05 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1sw3 h THR 27 CO -0.07 0.20 -0.22 -0.07 0.37 0.00 0.00 175.52 175.73 1sw3 h LEU 28 N 0.87 0.69 -1.52 2.58 3.38 -1.02 -1.73 115.31 118.57 1sw3 h LEU 28 Ca 0.23 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1sw3 h LEU 28 Cb -0.02 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1sw3 h LEU 28 CO -0.04 0.99 0.27 0.78 0.09 0.00 0.00 178.44 180.52 1sw3 h ASN 29 N 0.40 0.52 0.51 -0.43 2.35 -0.98 -2.81 115.58 115.12 1sw3 h ASN 29 Ca 0.05 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1sw3 h ASN 29 Cb 0.77 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1sw3 h ASN 29 CO 0.06 0.40 -0.61 0.61 -1.65 0.00 0.00 177.43 176.24 1sw3 n GLY 30 N -1.40 -1.25 3.84 2.83 0.00 -0.75 -4.94 105.19 103.53 1sw3 n GLY 30 Ca 0.03 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 1sw3 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sw3 s ALA 31 N -3.04 2.83 -0.73 4.61 0.00 -0.66 -5.00 121.76 119.77 1sw3 s ALA 31 Ca 0.09 -0.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.81 1sw3 s ALA 31 Cb 0.17 -3.12 0.10 0.00 0.00 0.00 0.00 23.12 20.26 1sw3 s ALA 31 CO 0.73 -1.04 0.96 0.21 0.00 0.00 0.00 175.76 176.62 1sw3 s LYS 32 N -5.13 3.25 -0.17 0.00 2.20 -1.26 -5.02 119.74 113.61 1sw3 s LYS 32 Ca 0.57 -1.23 -0.08 0.00 -0.36 0.00 0.00 55.97 54.87 1sw3 s LYS 32 Cb -0.13 -4.45 -0.04 0.00 -1.51 0.00 0.00 37.83 31.70 1sw3 s LYS 32 CO 0.54 -1.75 0.11 -0.51 -0.36 0.00 0.00 175.35 173.38 1sw3 s LEU 33 N 3.35 4.10 0.17 5.43 1.43 -1.26 -4.97 118.68 126.92 1sw3 s LEU 33 Ca 0.23 0.23 -0.34 0.00 -1.03 0.00 0.00 54.13 53.23 1sw3 s LEU 33 Cb -0.15 -2.04 -0.14 0.00 0.03 0.00 0.00 46.19 43.89 1sw3 s LEU 33 CO 0.03 0.23 1.45 -0.24 0.23 0.00 0.00 176.35 178.06 1sw3 n SER 34 N 3.16 2.57 0.15 2.29 2.88 -1.26 -4.85 113.62 118.56 1sw3 n SER 34 Ca -0.17 1.11 0.13 0.00 -1.33 0.00 0.00 58.87 58.61 1sw3 n SER 34 Cb 0.53 -1.36 0.51 0.00 -0.75 0.00 0.00 64.21 63.14 1sw3 n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sw3 h ALA 35 N 4.99 1.00 -0.12 -1.46 0.00 -1.98 -2.80 119.26 118.89 1sw3 h ALA 35 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1sw3 h ALA 35 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1sw3 h ALA 35 CO 0.82 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.82 1sw3 n ASP 36 N -2.35 1.52 -4.48 0.00 10.43 -1.26 -4.81 116.55 115.59 1sw3 n ASP 36 Ca 0.02 -1.64 -0.34 0.00 2.57 0.00 0.00 54.79 55.41 1sw3 n ASP 36 Cb 0.25 -0.08 -0.12 0.00 1.84 0.00 0.00 41.12 43.01 1sw3 n ASP 36 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1sw3 s THR 37 N -1.85 3.83 -0.31 -3.53 2.01 -1.06 -3.75 115.64 110.98 1sw3 s THR 37 Ca 0.34 -0.38 -0.23 0.00 0.31 0.00 0.00 61.69 61.72 1sw3 s THR 37 Cb 0.18 -2.68 0.00 0.00 0.01 0.00 0.00 72.50 70.01 1sw3 s THR 37 CO 0.28 0.49 0.79 -0.70 -0.69 0.00 0.00 174.62 174.79 1sw3 s GLU 38 N 0.44 3.97 -0.12 4.92 2.12 -0.06 -4.93 118.70 125.03 1sw3 s GLU 38 Ca -0.04 0.59 -0.02 0.00 0.36 0.00 0.00 54.97 55.87 1sw3 s GLU 38 Cb -0.14 -3.73 -0.03 0.00 0.26 0.00 0.00 34.13 30.49 1sw3 s GLU 38 CO 0.03 -0.68 -0.06 0.08 -0.54 0.00 0.00 175.26 174.09 1sw3 s VAL 39 N 2.96 3.75 -0.03 3.70 1.01 -1.26 -1.19 120.40 129.34 1sw3 s VAL 39 Ca 0.32 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1sw3 s VAL 39 Cb -0.14 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.66 1sw3 s VAL 39 CO 0.12 0.54 -0.06 -0.69 0.00 0.00 0.00 175.10 175.01 1sw3 s VAL 40 N -0.08 0.61 -0.18 2.92 1.01 -0.65 -1.00 120.40 123.03 1sw3 s VAL 40 Ca 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1sw3 s VAL 40 Cb -0.13 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 1sw3 s VAL 40 CO 0.03 0.22 -0.06 0.00 0.00 0.00 0.00 175.10 175.28 1sw3 s GLY 42 N 0.95 1.94 0.14 0.00 0.00 0.20 -1.06 107.32 109.49 1sw3 s GLY 42 Ca -0.01 -2.10 0.01 0.00 0.00 0.00 0.00 44.72 42.62 1sw3 s GLY 42 CO 0.00 1.27 0.30 0.00 0.00 0.00 0.00 173.10 174.67 1sw3 s ALA 43 N 2.05 3.93 0.61 3.20 0.00 -0.96 -1.53 121.76 129.07 1sw3 s ALA 43 Ca 0.08 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.94 1sw3 s ALA 43 Cb -0.24 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 1sw3 s ALA 43 CO 0.07 0.58 1.11 -2.30 0.00 0.00 0.00 175.76 175.23 1sw3 n PRO 44 N -0.36 1.05 -0.25 0.00 -0.02 -1.26 -4.19 135.00 129.97 1sw3 n PRO 44 Ca -0.06 0.41 0.03 0.00 -2.02 0.00 0.00 63.50 61.86 1sw3 n PRO 44 Cb 0.53 -2.32 0.26 0.00 -0.02 0.00 0.00 33.50 31.95 1sw3 n PRO 44 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1sw3 h SER 45 N 0.61 0.85 0.63 2.55 4.64 -1.96 -0.69 113.55 120.18 1sw3 h SER 45 Ca -0.49 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1sw3 h SER 45 Cb 1.35 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1sw3 h SER 45 CO 0.52 0.57 0.00 -0.29 -0.87 0.00 0.00 176.83 176.77 1sw3 h ILE 46 N 0.98 0.00 -0.18 0.95 2.10 -2.03 -2.81 117.51 116.52 1sw3 h ILE 46 Ca 0.33 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.98 1sw3 h ILE 46 Cb 0.08 1.18 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 1sw3 h ILE 46 CO -0.10 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 175.75 1sw3 n TYR 47 N -2.83 0.29 -0.01 2.19 4.02 -0.29 -4.75 117.16 115.78 1sw3 n TYR 47 Ca -0.00 -0.57 -0.11 0.00 -0.01 0.00 0.00 57.90 57.21 1sw3 n TYR 47 Cb 0.21 -0.07 -0.05 0.00 -0.02 0.00 0.00 39.34 39.41 1sw3 n TYR 47 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1sw3 h LEU 48 N 1.05 0.13 0.19 7.72 3.38 -1.22 -0.64 115.31 125.93 1sw3 h LEU 48 Ca 0.00 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1sw3 h LEU 48 Cb 0.72 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1sw3 h LEU 48 CO 0.02 0.14 -0.29 -0.78 0.09 0.00 0.00 178.44 177.62 1sw3 h ASP 49 N 0.11 -0.81 -0.68 -0.43 -0.00 -1.85 -0.94 116.42 111.83 1sw3 h ASP 49 Ca 0.04 0.08 0.10 0.00 -0.00 0.00 0.00 57.03 57.26 1sw3 h ASP 49 Cb 0.03 0.29 -0.08 0.00 -0.00 0.00 0.00 39.33 39.58 1sw3 h ASP 49 CO -0.01 -0.39 0.28 0.15 -0.00 0.00 0.00 179.24 179.27 1sw3 h PHE 50 N -0.55 0.50 -0.26 0.28 3.04 -1.86 -0.43 116.94 117.65 1sw3 h PHE 50 Ca 0.01 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.95 1sw3 h PHE 50 Cb 0.54 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 1sw3 h PHE 50 CO -0.23 0.13 -0.02 0.00 -2.02 0.00 0.00 178.31 176.18 1sw3 h ALA 51 N 1.45 0.35 -0.33 2.41 0.00 -0.85 -2.06 119.26 120.24 1sw3 h ALA 51 Ca 0.35 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1sw3 h ALA 51 Cb 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1sw3 h ALA 51 CO -0.32 0.11 0.02 -0.09 0.00 0.00 0.00 179.25 178.97 1sw3 h ARG 52 N 0.24 0.50 -0.02 0.00 9.65 -0.78 -0.53 114.38 123.44 1sw3 h ARG 52 Ca 0.07 -0.10 -0.11 0.00 -1.10 0.00 0.00 59.98 58.74 1sw3 h ARG 52 Cb 0.45 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 1sw3 h ARG 52 CO 0.02 0.51 -0.51 1.96 2.80 0.00 0.00 179.97 184.75 1sw3 h GLN 53 N 0.48 0.06 0.00 0.20 4.20 -0.72 -3.33 115.11 116.00 1sw3 h GLN 53 Ca 0.11 -0.03 -0.27 0.00 0.06 0.00 0.00 58.65 58.52 1sw3 h GLN 53 Cb 0.29 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 1sw3 h GLN 53 CO 0.01 0.55 -2.04 1.63 -0.67 0.00 0.00 178.83 178.31 1sw3 n LYS 54 N -3.94 0.66 -2.56 1.46 4.76 -0.81 -4.95 118.16 112.79 1sw3 n LYS 54 Ca -0.02 0.06 -0.40 0.00 -2.87 0.00 0.00 58.31 55.08 1sw3 n LYS 54 Cb 0.53 -1.62 -0.05 0.00 -1.84 0.00 0.00 35.03 32.05 1sw3 n LYS 54 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1sw3 s LEU 55 N -5.50 4.58 0.64 -0.35 1.43 -0.24 -4.96 118.68 114.27 1sw3 s LEU 55 Ca -0.08 2.17 -0.18 0.00 -1.03 0.00 0.00 54.13 55.02 1sw3 s LEU 55 Cb 0.08 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 1sw3 s LEU 55 CO 0.84 -0.05 0.97 0.47 0.23 0.00 0.00 176.35 178.81 1sw3 n ASP 56 N 1.32 0.73 0.25 2.29 8.00 -1.26 -4.88 116.55 123.01 1sw3 n ASP 56 Ca -0.01 0.77 0.11 0.00 0.71 0.00 0.00 54.79 56.36 1sw3 n ASP 56 Cb 0.45 -1.40 0.66 0.00 -0.02 0.00 0.00 41.12 40.82 1sw3 n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sw3 h ALA 57 N 0.29 1.38 0.00 2.24 0.00 -1.94 -2.05 119.26 119.18 1sw3 h ALA 57 Ca -0.48 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1sw3 h ALA 57 Cb 1.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1sw3 h ALA 57 CO 0.50 0.18 0.00 1.57 0.00 0.00 0.00 179.25 181.50 1sw3 h LYS 58 N 0.00 0.00 -5.74 0.00 -0.00 -1.98 -3.41 116.57 105.44 1sw3 h LYS 58 Ca -0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 60.65 60.06 1sw3 h LYS 58 Cb 0.34 0.00 -0.09 0.00 -0.00 0.00 0.00 32.23 32.49 1sw3 h LYS 58 CO 0.02 0.00 0.07 0.42 -0.00 0.00 0.00 179.45 179.96 1sw3 s ILE 59 N -3.39 5.05 0.51 0.07 1.01 -0.77 -4.64 121.20 119.04 1sw3 s ILE 59 Ca 0.05 1.19 -0.18 0.00 0.00 0.00 0.00 60.65 61.71 1sw3 s ILE 59 Cb 0.09 -3.94 -0.08 0.00 0.01 0.00 0.00 42.46 38.54 1sw3 s ILE 59 CO 0.52 0.17 0.99 -0.83 0.00 0.00 0.00 174.94 175.79 1sw3 s GLY 60 N 1.03 2.18 -0.08 6.18 0.00 -0.17 -4.84 107.32 111.62 1sw3 s GLY 60 Ca 0.30 0.29 0.01 0.00 0.00 0.00 0.00 44.72 45.32 1sw3 s GLY 60 CO 0.12 0.58 -0.10 0.14 0.00 0.00 0.00 173.10 173.84 1sw3 s VAL 61 N -2.45 3.41 0.01 1.40 1.01 -1.26 -1.11 120.40 121.40 1sw3 s VAL 61 Ca 0.61 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 62.09 1sw3 s VAL 61 Cb -0.11 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1sw3 s VAL 61 CO 0.27 0.57 -0.24 0.00 0.00 0.00 0.00 175.10 175.71 1sw3 s ALA 62 N -0.49 1.99 0.54 5.51 0.00 -0.22 -1.69 121.76 127.40 1sw3 s ALA 62 Ca 0.07 -1.08 -0.13 0.00 0.00 0.00 0.00 51.96 50.82 1sw3 s ALA 62 Cb -0.12 -0.47 -0.06 0.00 0.00 0.00 0.00 23.12 22.47 1sw3 s ALA 62 CO 0.02 0.48 0.96 0.00 0.00 0.00 0.00 175.76 177.22 1sw3 s ALA 63 N -0.65 3.13 -1.03 0.00 0.00 -0.43 -2.26 121.76 120.52 1sw3 s ALA 63 Ca 0.09 -0.01 0.24 0.00 0.00 0.00 0.00 51.96 52.28 1sw3 s ALA 63 Cb -0.09 -3.02 0.31 0.00 0.00 0.00 0.00 23.12 20.32 1sw3 s ALA 63 CO 0.00 -0.39 1.28 1.04 0.00 0.00 0.00 175.76 177.69 1sw3 n GLN 64 N -2.05 0.04 -3.54 0.00 6.02 -1.26 -0.68 117.38 115.91 1sw3 n GLN 64 Ca 0.05 -0.02 -0.07 0.00 -0.01 0.00 0.00 57.00 56.95 1sw3 n GLN 64 Cb 0.54 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.28 1sw3 n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1sw3 s ASN 65 N -2.98 -0.27 0.34 1.08 2.47 -1.24 -4.56 114.94 109.79 1sw3 s ASN 65 Ca 0.11 0.01 -0.10 0.00 0.42 0.00 0.00 52.86 53.30 1sw3 s ASN 65 Cb 0.17 0.28 0.02 0.00 -1.45 0.00 0.00 41.25 40.27 1sw3 s ASN 65 CO 0.74 -0.45 0.61 0.00 -3.72 0.00 0.00 177.10 174.28 1sw3 n TYR 67 N -0.52 -1.56 -0.22 0.00 9.36 0.26 -4.95 117.16 119.53 1sw3 n TYR 67 Ca -0.03 -0.97 0.05 0.00 3.32 0.00 0.00 57.90 60.27 1sw3 n TYR 67 Cb 0.61 -0.20 0.15 0.00 -0.63 0.00 0.00 39.34 39.26 1sw3 n TYR 67 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1sw3 n LYS 68 N -1.19 2.88 -4.12 2.98 2.85 -1.26 -4.56 118.16 115.74 1sw3 n LYS 68 Ca 0.01 -2.06 -0.08 0.00 -1.05 0.00 0.00 58.31 55.13 1sw3 n LYS 68 Cb 0.26 -1.29 -0.10 0.00 -0.65 0.00 0.00 35.03 33.26 1sw3 n LYS 68 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1sw3 s VAL 69 N -1.15 0.32 0.34 0.58 -7.23 -1.26 -4.85 120.40 107.15 1sw3 s VAL 69 Ca 0.22 -1.86 0.13 0.00 -1.81 0.00 0.00 61.98 58.67 1sw3 s VAL 69 Cb 0.13 -1.65 0.07 0.00 0.56 0.00 0.00 36.38 35.49 1sw3 s VAL 69 CO 0.14 -0.88 1.77 -0.65 -0.31 0.00 0.00 175.10 175.17 1sw3 h PRO 70 N 3.06 0.00 -2.78 4.82 0.11 -1.98 -3.44 132.00 131.79 1sw3 h PRO 70 Ca -0.35 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.81 1sw3 h PRO 70 Cb 1.16 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.15 1sw3 h PRO 70 CO 0.65 0.43 0.30 -1.59 -0.21 0.00 0.00 178.00 177.58 1sw3 s LYS 71 N -4.02 1.26 0.00 1.05 -2.85 -1.26 -4.73 119.74 109.19 1sw3 s LYS 71 Ca -0.02 -0.54 0.00 0.00 -1.00 0.00 0.00 55.97 54.41 1sw3 s LYS 71 Cb 0.14 0.53 0.00 0.00 -2.06 0.00 0.00 37.83 36.44 1sw3 s LYS 71 CO 0.73 -0.56 0.00 0.41 0.10 0.00 0.00 175.35 176.03 1sw3 n GLY 72 N -0.37 0.60 2.79 0.59 0.00 -1.26 -4.98 105.19 102.56 1sw3 n GLY 72 Ca -0.12 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 1sw3 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sw3 n ALA 73 N -0.78 5.66 -3.33 4.61 0.00 -1.26 -4.70 120.51 120.72 1sw3 n ALA 73 Ca 0.00 -4.29 -0.26 0.00 0.00 0.00 0.00 53.44 48.89 1sw3 n ALA 73 Cb 0.00 -2.91 -0.08 0.00 0.00 0.00 0.00 19.45 16.46 1sw3 n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1sw3 n PHE 74 N 3.31 1.10 -1.62 0.00 3.72 -1.26 -5.10 117.46 117.61 1sw3 n PHE 74 Ca 0.44 -3.77 -0.56 0.00 -0.05 0.00 0.00 57.45 53.51 1sw3 n PHE 74 Cb 0.34 -0.37 -0.07 0.00 -0.94 0.00 0.00 39.48 38.44 1sw3 n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1sw3 n THR 75 N 1.42 0.08 -0.02 4.37 -1.04 -1.26 -1.71 114.28 116.12 1sw3 n THR 75 Ca 0.25 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1sw3 n THR 75 Cb 0.47 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 1sw3 n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sw3 n GLY 76 N 2.87 0.96 3.94 3.41 0.00 -1.26 -5.06 105.19 110.05 1sw3 n GLY 76 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1sw3 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sw3 s GLU 77 N -0.67 3.38 0.21 1.61 0.41 -0.69 -5.13 118.70 117.81 1sw3 s GLU 77 Ca 0.00 -0.68 0.10 0.00 -0.41 0.00 0.00 54.97 53.97 1sw3 s GLU 77 Cb 0.00 -2.90 -0.05 0.00 -1.78 0.00 0.00 34.13 29.40 1sw3 s GLU 77 CO 0.00 0.49 -0.18 0.96 -0.49 0.00 0.00 175.26 176.03 1sw3 s ILE 78 N -1.83 2.04 0.30 -1.63 -4.36 -1.26 -5.02 121.20 109.44 1sw3 s ILE 78 Ca 0.34 -2.14 0.10 0.00 -0.26 0.00 0.00 60.65 58.69 1sw3 s ILE 78 Cb -0.10 -2.05 -0.05 0.00 1.25 0.00 0.00 42.46 41.51 1sw3 s ILE 78 CO 0.28 -0.38 -0.06 -0.94 0.24 0.00 0.00 174.94 174.08 1sw3 s SER 79 N -3.05 4.11 0.39 4.36 1.04 -1.26 -0.57 113.70 118.71 1sw3 s SER 79 Ca 0.22 -0.91 0.16 0.00 0.48 0.00 0.00 55.95 55.90 1sw3 s SER 79 Cb -0.05 -0.55 1.04 0.00 0.10 0.00 0.00 66.02 66.56 1sw3 s SER 79 CO 0.09 -0.09 1.81 -0.65 0.98 0.00 0.00 173.24 175.38 1sw3 h PRO 80 N 1.97 0.45 -0.88 4.02 0.11 -1.84 -1.93 132.00 133.90 1sw3 h PRO 80 Ca -0.42 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1sw3 h PRO 80 Cb 1.25 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1sw3 h PRO 80 CO 0.63 0.30 0.45 0.00 -0.21 0.00 0.00 178.00 179.16 1sw3 h ALA 81 N 1.62 1.13 -0.49 -0.75 0.00 -1.92 -0.77 119.26 118.08 1sw3 h ALA 81 Ca 0.54 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 55.18 1sw3 h ALA 81 Cb 1.27 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1sw3 h ALA 81 CO -0.26 0.67 -0.15 0.52 0.00 0.00 0.00 179.25 180.03 1sw3 h MET 82 N 1.24 0.96 -0.41 0.00 2.86 -1.69 -1.63 114.93 116.27 1sw3 h MET 82 Ca 0.30 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1sw3 h MET 82 Cb 0.08 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1sw3 h MET 82 CO -0.04 1.05 0.17 0.82 1.06 0.00 0.00 176.91 179.97 1sw3 h ILE 83 N 0.81 1.19 -0.49 -1.22 2.04 -0.93 -2.52 117.51 116.40 1sw3 h ILE 83 Ca 0.12 -0.60 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 1sw3 h ILE 83 Cb 0.72 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1sw3 h ILE 83 CO 0.05 0.22 0.09 0.50 0.00 0.00 0.00 178.15 179.01 1sw3 h LYS 84 N 0.52 0.75 -0.87 2.37 3.64 -1.15 -2.52 116.57 119.31 1sw3 h LYS 84 Ca 0.14 -0.16 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1sw3 h LYS 84 Cb 0.18 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 1sw3 h LYS 84 CO -0.01 0.70 0.57 0.22 -2.27 0.00 0.00 179.45 178.66 1sw3 h ASP 85 N 0.72 0.90 0.04 4.20 3.58 -0.86 -2.00 116.42 123.01 1sw3 h ASP 85 Ca 0.16 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1sw3 h ASP 85 Cb 0.32 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1sw3 h ASP 85 CO 0.00 0.60 -0.10 2.30 -2.88 0.00 0.00 179.24 179.17 1sw3 n ILE 86 N -4.47 0.00 0.00 2.25 -6.64 -1.10 -4.93 119.36 104.47 1sw3 n ILE 86 Ca 0.12 -0.26 0.00 0.00 -1.77 0.00 0.00 62.75 60.84 1sw3 n ILE 86 Cb 0.15 0.68 0.00 0.00 -1.44 0.00 0.00 39.64 39.04 1sw3 n ILE 86 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1sw3 n GLY 87 N 1.26 0.93 3.79 3.28 0.00 -0.75 -4.83 105.19 108.87 1sw3 n GLY 87 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1sw3 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sw3 s ALA 88 N -2.00 3.00 -0.04 4.61 0.00 -0.96 -4.83 121.76 121.54 1sw3 s ALA 88 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1sw3 s ALA 88 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1sw3 s ALA 88 CO 0.00 -0.20 0.52 0.00 0.00 0.00 0.00 175.76 176.08 1sw3 n ALA 89 N -0.45 2.49 -2.27 0.00 0.00 -0.68 -4.15 120.51 115.46 1sw3 n ALA 89 Ca 0.07 -0.51 -0.08 0.00 0.00 0.00 0.00 53.44 52.92 1sw3 n ALA 89 Cb 0.51 -0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 1sw3 n ALA 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1sw3 s TRP 90 N -0.04 0.56 -0.02 0.00 0.52 -1.15 -0.89 118.94 117.91 1sw3 s TRP 90 Ca 0.00 -0.94 -0.02 0.00 0.02 0.00 0.00 56.10 55.17 1sw3 s TRP 90 Cb 0.00 -0.38 0.01 0.00 -1.15 0.00 0.00 33.47 31.95 1sw3 s TRP 90 CO 0.00 -0.30 0.05 0.54 0.02 0.00 0.00 176.95 177.27 1sw3 s VAL 91 N -3.40 -0.01 -0.17 4.03 0.11 -0.66 -1.31 120.40 119.00 1sw3 s VAL 91 Ca 0.04 0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 58.91 1sw3 s VAL 91 Cb 0.04 -0.09 -0.02 0.00 -1.53 0.00 0.00 36.38 34.78 1sw3 s VAL 91 CO -0.07 0.02 0.69 -0.63 -3.33 0.00 0.00 175.10 171.78 1sw3 s ILE 92 N 0.25 4.99 0.04 7.04 1.01 0.15 -1.60 121.20 133.08 1sw3 s ILE 92 Ca -0.02 1.34 0.06 0.00 0.00 0.00 0.00 60.65 62.03 1sw3 s ILE 92 Cb -0.03 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 1sw3 s ILE 92 CO -0.01 0.11 -0.16 -0.76 0.00 0.00 0.00 174.94 174.12 1sw3 s LEU 93 N 1.80 2.18 -0.82 2.97 1.43 -0.25 -3.60 118.68 122.38 1sw3 s LEU 93 Ca 0.32 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1sw3 s LEU 93 Cb -0.16 -0.73 0.00 0.00 0.03 0.00 0.00 46.19 45.33 1sw3 s LEU 93 CO 0.12 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.38 1sw3 n GLY 94 N 1.84 0.90 3.63 -3.19 0.00 -1.26 -1.10 105.19 106.01 1sw3 n GLY 94 Ca -0.18 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 1sw3 n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1sw3 n HIS 95 N -2.88 1.34 -0.29 1.61 -0.00 -1.26 -4.44 115.22 109.28 1sw3 n HIS 95 Ca -0.08 0.55 0.12 0.00 0.46 0.00 0.00 57.72 58.76 1sw3 n HIS 95 Cb 0.29 -2.25 0.28 0.00 -0.12 0.00 0.00 29.99 28.19 1sw3 n HIS 95 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1sw3 h SER 96 N 1.60 0.26 -0.80 0.26 0.87 -1.94 -0.23 113.55 113.57 1sw3 h SER 96 Ca -0.45 0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.23 1sw3 h SER 96 Cb 1.33 0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 63.40 1sw3 h SER 96 CO 0.57 -0.01 0.40 -0.33 -0.53 0.00 0.00 176.83 176.93 1sw3 h GLU 97 N 0.37 1.16 -0.41 2.24 5.08 -1.97 0.29 114.58 121.34 1sw3 h GLU 97 Ca 0.53 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.69 1sw3 h GLU 97 Cb 0.98 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1sw3 h GLU 97 CO -0.53 0.89 0.10 0.00 -1.00 0.00 0.00 179.01 178.46 1sw3 h ARG 98 N 1.15 0.66 -0.25 2.33 2.47 -1.43 0.14 114.38 119.45 1sw3 h ARG 98 Ca 0.28 -0.16 -0.03 0.00 -1.26 0.00 0.00 59.98 58.81 1sw3 h ARG 98 Cb 0.10 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 1sw3 h ARG 98 CO -0.04 0.68 0.04 0.00 0.56 0.00 0.00 179.97 181.22 1sw3 h ARG 99 N 0.53 0.42 0.00 0.04 3.08 -0.95 -1.91 114.38 115.59 1sw3 h ARG 99 Ca 0.13 -0.11 -0.30 0.00 0.07 0.00 0.00 59.98 59.76 1sw3 h ARG 99 Cb 0.32 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 1sw3 h ARG 99 CO 0.00 0.54 -2.29 0.72 -1.07 0.00 0.00 179.97 177.88 1sw3 n HIS 100 N -4.69 0.00 0.02 3.04 8.25 0.07 -2.37 115.22 119.54 1sw3 n HIS 100 Ca -0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.22 1sw3 n HIS 100 Cb 0.20 -0.90 -0.14 0.00 1.12 0.00 0.00 29.99 30.27 1sw3 n HIS 100 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1sw3 h VAL 101 N 0.00 0.72 -0.14 1.59 2.07 -1.14 -3.41 116.25 115.94 1sw3 h VAL 101 Ca -0.45 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 64.66 1sw3 h VAL 101 Cb 2.02 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 34.36 1sw3 h VAL 101 CO 0.02 0.87 0.00 0.49 0.02 0.00 0.00 177.57 178.97 1sw3 n PHE 102 N -3.48 0.17 -1.96 1.57 3.72 -1.09 -5.01 117.46 111.38 1sw3 n PHE 102 Ca -0.29 -0.14 -0.09 0.00 -0.05 0.00 0.00 57.45 56.88 1sw3 n PHE 102 Cb 1.05 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.58 1sw3 n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sw3 n GLY 103 N 0.84 0.24 3.70 1.37 0.00 -0.77 -4.94 105.19 105.63 1sw3 n GLY 103 Ca 0.11 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1sw3 n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sw3 s GLU 104 N -4.06 4.39 0.52 1.61 2.02 -0.86 -4.98 118.70 117.35 1sw3 s GLU 104 Ca 0.00 1.65 -0.03 0.00 0.02 0.00 0.00 54.97 56.61 1sw3 s GLU 104 Cb 0.00 -3.50 -0.00 0.00 0.10 0.00 0.00 34.13 30.73 1sw3 s GLU 104 CO 0.00 -0.36 0.79 -1.54 0.02 0.00 0.00 175.26 174.17 1sw3 s SER 105 N 1.32 5.77 0.37 -0.19 1.04 -1.26 -4.43 113.70 116.32 1sw3 s SER 105 Ca 0.56 0.57 0.08 0.00 0.48 0.00 0.00 55.95 57.63 1sw3 s SER 105 Cb -0.25 -1.70 0.80 0.00 0.10 0.00 0.00 66.02 64.97 1sw3 s SER 105 CO 0.24 -0.86 1.95 0.44 0.98 0.00 0.00 173.24 175.99 1sw3 h ASP 106 N 0.10 0.61 -0.17 7.02 3.32 -1.99 -1.56 116.42 123.75 1sw3 h ASP 106 Ca -0.46 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 1sw3 h ASP 106 Cb 1.25 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1sw3 h ASP 106 CO 0.59 0.38 0.03 -0.08 -1.72 0.00 0.00 179.24 178.45 1sw3 h GLU 107 N 0.69 0.29 -0.53 3.56 4.81 -1.94 -1.58 114.58 119.87 1sw3 h GLU 107 Ca 0.33 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.43 1sw3 h GLU 107 Cb 0.38 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1sw3 h GLU 107 CO -0.11 0.44 0.11 1.25 -0.73 0.00 0.00 179.01 179.97 1sw3 h LEU 108 N 0.08 0.83 -0.49 1.64 5.85 -1.84 -2.30 115.31 119.08 1sw3 h LEU 108 Ca 0.05 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1sw3 h LEU 108 Cb 0.29 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1sw3 h LEU 108 CO 0.00 0.86 0.32 0.40 -0.34 0.00 0.00 178.44 179.69 1sw3 h ILE 109 N 0.76 1.12 -0.62 4.05 2.04 -1.21 -1.14 117.51 122.51 1sw3 h ILE 109 Ca 0.16 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.86 1sw3 h ILE 109 Cb 0.37 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 1sw3 h ILE 109 CO 0.01 0.12 0.33 1.23 0.00 0.00 0.00 178.15 179.84 1sw3 h GLY 110 N 0.66 0.90 1.56 5.37 0.00 -1.14 -0.24 103.07 110.17 1sw3 h GLY 110 Ca 0.18 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 1sw3 h GLY 110 CO -0.04 0.13 -0.06 1.46 0.00 0.00 0.00 176.54 178.02 1sw3 h GLN 111 N 0.61 0.54 -0.43 4.80 4.20 -0.93 -1.42 115.11 122.48 1sw3 h GLN 111 Ca 0.28 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 1sw3 h GLN 111 Cb 0.20 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1sw3 h GLN 111 CO -0.19 0.62 0.03 0.87 -0.67 0.00 0.00 178.83 179.48 1sw3 h LYS 112 N 0.51 0.75 0.15 1.46 1.57 -0.57 -2.45 116.57 118.00 1sw3 h LYS 112 Ca 0.10 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1sw3 h LYS 112 Cb 0.43 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1sw3 h LYS 112 CO 0.02 0.80 -0.08 0.28 -0.57 0.00 0.00 179.45 179.90 1sw3 h VAL 113 N 0.59 0.83 -0.76 0.50 2.07 -0.67 0.21 116.25 119.02 1sw3 h VAL 113 Ca 0.13 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.75 1sw3 h VAL 113 Cb 0.45 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 30.97 1sw3 h VAL 113 CO 0.02 0.00 0.39 0.00 0.02 0.00 0.00 177.57 178.00 1sw3 h ALA 114 N 0.63 1.08 -0.13 1.67 0.00 -1.27 -1.71 119.26 119.52 1sw3 h ALA 114 Ca -0.02 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1sw3 h ALA 114 Cb 0.17 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sw3 h ALA 114 CO 0.03 -0.02 -0.58 1.25 0.00 0.00 0.00 179.25 179.92 1sw3 h HIS 115 N 0.65 0.84 -0.67 0.00 6.17 -1.14 -2.18 115.15 118.81 1sw3 h HIS 115 Ca 0.38 -0.36 -0.05 0.00 0.71 0.00 0.00 60.37 61.05 1sw3 h HIS 115 Cb 0.42 -0.13 -0.03 0.00 2.52 0.00 0.00 27.41 30.18 1sw3 h HIS 115 CO -0.10 1.16 0.22 0.00 0.71 0.00 0.00 177.93 179.93 1sw3 h ALA 116 N 0.51 0.88 -0.50 5.26 0.00 -0.68 -2.10 119.26 122.63 1sw3 h ALA 116 Ca -0.04 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1sw3 h ALA 116 Cb 1.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1sw3 h ALA 116 CO 0.12 0.55 -0.11 -0.07 0.00 0.00 0.00 179.25 179.74 1sw3 h LEU 117 N 0.98 0.94 -1.28 0.00 3.38 -1.32 -1.89 115.31 116.13 1sw3 h LEU 117 Ca 0.22 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1sw3 h LEU 117 Cb 0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1sw3 h LEU 117 CO -0.01 1.06 0.30 0.00 0.09 0.00 0.00 178.44 179.88 1sw3 h ALA 118 N 1.02 1.45 0.00 1.53 0.00 -1.21 -2.00 119.26 120.05 1sw3 h ALA 118 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sw3 h ALA 118 Cb 0.65 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1sw3 h ALA 118 CO 0.05 0.45 0.00 0.39 0.00 0.00 0.00 179.25 180.14 1sw3 n GLU 119 N -4.38 0.76 -0.38 0.00 -0.58 -0.80 -4.92 120.64 110.34 1sw3 n GLU 119 Ca 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1sw3 n GLU 119 Cb 0.11 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 1sw3 n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sw3 n GLY 120 N 1.10 0.81 3.85 0.62 0.00 -0.75 -4.97 105.19 105.84 1sw3 n GLY 120 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1sw3 n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sw3 s LEU 121 N 0.00 3.92 0.46 0.99 1.43 -0.73 -5.01 118.68 119.74 1sw3 s LEU 121 Ca 0.00 1.31 -0.19 0.00 -1.03 0.00 0.00 54.13 54.21 1sw3 s LEU 121 Cb 0.00 -4.16 -0.10 0.00 0.03 0.00 0.00 46.19 41.96 1sw3 s LEU 121 CO 0.00 -0.33 0.97 -0.83 0.23 0.00 0.00 176.35 176.39 1sw3 s GLY 122 N -2.64 2.29 -0.08 -3.19 0.00 -0.07 -4.23 107.32 99.39 1sw3 s GLY 122 Ca 0.55 0.34 0.02 0.00 0.00 0.00 0.00 44.72 45.63 1sw3 s GLY 122 CO 0.23 0.62 -0.15 0.14 0.00 0.00 0.00 173.10 173.94 1sw3 s VAL 123 N -2.31 1.40 -0.47 1.40 1.01 -0.12 -1.65 120.40 119.66 1sw3 s VAL 123 Ca 0.61 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 1sw3 s VAL 123 Cb -0.10 -1.26 0.06 0.00 0.00 0.00 0.00 36.38 35.07 1sw3 s VAL 123 CO 0.20 0.42 0.46 -0.63 0.00 0.00 0.00 175.10 175.54 1sw3 s ILE 124 N 0.69 5.11 -0.25 2.22 1.01 -0.62 -0.58 121.20 128.77 1sw3 s ILE 124 Ca -0.13 -0.75 -0.09 0.00 0.00 0.00 0.00 60.65 59.67 1sw3 s ILE 124 Cb -0.16 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 1sw3 s ILE 124 CO 0.03 -0.60 0.13 0.00 0.00 0.00 0.00 174.94 174.51 1sw3 s ALA 125 N 2.01 3.42 -0.12 9.38 0.00 -0.23 -1.10 121.76 135.12 1sw3 s ALA 125 Ca 0.09 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 50.95 1sw3 s ALA 125 Cb -0.21 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 1sw3 s ALA 125 CO 0.10 -0.34 0.18 0.00 0.00 0.00 0.00 175.76 175.69 1sw3 s ILE 127 N -0.72 0.68 0.00 0.00 -0.00 -0.35 -4.66 121.20 116.15 1sw3 s ILE 127 Ca 0.15 -1.96 0.00 0.00 -0.00 0.00 0.00 60.65 58.85 1sw3 s ILE 127 Cb -0.13 -1.87 0.00 0.00 -0.00 0.00 0.00 42.46 40.46 1sw3 s ILE 127 CO 0.04 -0.70 0.00 0.61 -0.00 0.00 0.00 174.94 174.89 1sw3 n GLY 128 N -0.13 3.43 3.89 6.27 0.00 -1.26 -0.92 105.19 116.47 1sw3 n GLY 128 Ca -0.10 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 1sw3 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sw3 s GLU 129 N -1.54 3.71 0.67 1.61 1.03 -1.26 -4.69 118.70 118.22 1sw3 s GLU 129 Ca 0.00 0.21 -0.07 0.00 0.03 0.00 0.00 54.97 55.14 1sw3 s GLU 129 Cb 0.00 -2.55 0.04 0.00 -0.80 0.00 0.00 34.13 30.83 1sw3 s GLU 129 CO 0.00 0.13 0.99 0.15 -1.33 0.00 0.00 175.26 175.19 1sw3 s LYS 130 N -3.60 2.48 0.11 -4.83 1.02 -1.26 -0.68 119.74 112.98 1sw3 s LYS 130 Ca 0.47 -0.10 -0.19 0.00 0.02 0.00 0.00 55.97 56.17 1sw3 s LYS 130 Cb -0.11 -2.18 -0.06 0.00 -0.52 0.00 0.00 37.83 34.96 1sw3 s LYS 130 CO 0.30 -1.06 1.70 1.25 -0.92 0.00 0.00 175.35 176.62 1sw3 h LEU 131 N -0.48 0.32 -1.31 3.17 5.85 -1.98 -1.31 115.31 119.57 1sw3 h LEU 131 Ca -0.45 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.25 1sw3 h LEU 131 Cb 1.29 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 1sw3 h LEU 131 CO 0.61 0.34 0.52 -2.24 -0.34 0.00 0.00 178.44 177.33 1sw3 h ASP 132 N 0.29 0.71 -0.43 1.25 2.03 -1.99 -1.18 116.42 117.09 1sw3 h ASP 132 Ca 0.09 0.01 -0.13 0.00 -0.73 0.00 0.00 57.03 56.28 1sw3 h ASP 132 Cb 0.09 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 38.45 1sw3 h ASP 132 CO -0.01 0.43 -0.22 -0.33 -1.03 0.00 0.00 179.24 178.08 1sw3 h GLU 133 N 0.79 0.91 -0.52 4.15 5.08 -1.75 -2.11 114.58 121.13 1sw3 h GLU 133 Ca 0.36 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1sw3 h GLU 133 Cb 0.36 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1sw3 h GLU 133 CO -0.14 1.06 0.02 -0.09 -1.00 0.00 0.00 179.01 178.87 1sw3 h ARG 134 N 0.74 0.90 -0.09 2.33 2.43 -0.70 -2.31 114.38 117.69 1sw3 h ARG 134 Ca 0.09 -0.27 -0.09 0.00 -0.81 0.00 0.00 59.98 58.90 1sw3 h ARG 134 Cb 0.79 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1sw3 h ARG 134 CO 0.07 0.91 -0.37 0.93 -1.51 0.00 0.00 179.97 180.00 1sw3 h GLU 135 N 0.77 0.18 0.00 0.20 5.08 -1.17 -1.94 114.58 117.70 1sw3 h GLU 135 Ca 0.15 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1sw3 h GLU 135 Cb 0.49 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1sw3 h GLU 135 CO 0.02 0.53 0.00 0.00 -1.00 0.00 0.00 179.01 178.56 1sw3 n ALA 136 N -2.47 2.43 -1.12 3.43 0.00 -0.80 -4.93 120.51 117.05 1sw3 n ALA 136 Ca -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 1sw3 n ALA 136 Cb 0.44 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 1sw3 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sw3 n GLY 137 N 0.86 0.70 1.66 0.00 0.00 -0.73 -4.94 105.19 102.73 1sw3 n GLY 137 Ca 0.17 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 1sw3 n GLY 137 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1sw3 n ILE 138 N -2.86 2.86 0.06 -0.61 -5.35 -0.89 -4.75 119.36 107.82 1sw3 n ILE 138 Ca -0.04 -2.43 -0.11 0.00 -0.27 0.00 0.00 62.75 59.90 1sw3 n ILE 138 Cb 0.14 -0.41 -0.05 0.00 -1.74 0.00 0.00 39.64 37.59 1sw3 n ILE 138 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1sw3 h THR 139 N 1.01 0.40 -0.42 7.28 2.02 -1.86 -2.43 112.91 118.91 1sw3 h THR 139 Ca 0.41 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.68 1sw3 h THR 139 Cb 2.17 0.40 -0.09 0.00 -1.74 0.00 0.00 68.15 68.89 1sw3 h THR 139 CO 0.73 0.00 -0.18 -0.33 0.37 0.00 0.00 175.52 176.11 1sw3 h GLU 140 N -0.40 -0.09 -0.35 6.66 5.08 -1.96 -1.47 114.58 122.05 1sw3 h GLU 140 Ca 0.07 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1sw3 h GLU 140 Cb 0.49 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1sw3 h GLU 140 CO -0.24 -0.06 0.10 -0.22 -1.00 0.00 0.00 179.01 177.60 1sw3 h LYS 141 N -0.09 0.23 -0.07 2.33 3.64 -1.86 -0.48 116.57 120.27 1sw3 h LYS 141 Ca 0.21 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1sw3 h LYS 141 Cb 0.41 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1sw3 h LYS 141 CO -0.48 0.15 0.03 0.28 -2.27 0.00 0.00 179.45 177.16 1sw3 h VAL 142 N 0.24 1.13 -0.12 2.00 2.07 -0.94 -2.01 116.25 118.62 1sw3 h VAL 142 Ca 0.16 -0.38 -0.17 0.00 0.82 0.00 0.00 66.70 67.13 1sw3 h VAL 142 Cb 0.16 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1sw3 h VAL 142 CO -0.19 0.11 -0.64 -0.37 0.02 0.00 0.00 177.57 176.50 1sw3 h VAL 143 N -0.03 1.35 -0.67 2.57 -1.51 -1.15 -1.85 116.25 114.96 1sw3 h VAL 143 Ca 0.02 -1.97 -0.01 0.00 -1.23 0.00 0.00 66.70 63.52 1sw3 h VAL 143 Cb 0.15 1.95 -0.03 0.00 -2.13 0.00 0.00 31.29 31.23 1sw3 h VAL 143 CO -0.00 0.60 0.39 -0.26 -1.23 0.00 0.00 177.57 177.07 1sw3 h PHE 144 N 0.34 0.89 -0.42 5.19 0.05 -1.06 0.78 116.94 122.71 1sw3 h PHE 144 Ca -0.01 -0.01 -0.04 0.00 3.82 0.00 0.00 57.97 61.73 1sw3 h PHE 144 Cb 1.19 -0.29 -0.02 0.00 2.00 0.00 0.00 35.95 38.84 1sw3 h PHE 144 CO 0.04 0.61 0.10 0.93 -0.18 0.00 0.00 178.31 179.81 1sw3 h GLU 145 N 0.91 0.67 -0.53 1.51 5.08 -1.10 0.06 114.58 121.19 1sw3 h GLU 145 Ca 0.24 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1sw3 h GLU 145 Cb -0.01 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1sw3 h GLU 145 CO -0.04 0.69 0.14 1.96 -1.00 0.00 0.00 179.01 180.75 1sw3 h GLN 146 N 0.54 0.80 -0.25 2.33 4.20 -1.18 -2.52 115.11 119.04 1sw3 h GLN 146 Ca 0.13 -0.16 -0.19 0.00 0.06 0.00 0.00 58.65 58.49 1sw3 h GLN 146 Cb 0.33 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1sw3 h GLN 146 CO 0.00 0.72 -0.60 1.15 -0.67 0.00 0.00 178.83 179.44 1sw3 h THR 147 N 0.78 1.28 -0.49 -0.54 2.02 -0.53 -2.89 112.91 112.54 1sw3 h THR 147 Ca 0.17 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.57 1sw3 h THR 147 Cb 0.27 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 1sw3 h THR 147 CO -0.00 0.58 0.31 0.50 0.37 0.00 0.00 175.52 177.27 1sw3 h LYS 148 N 0.61 0.65 -0.71 6.66 3.64 -0.89 0.10 116.57 126.63 1sw3 h LYS 148 Ca -0.00 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.42 1sw3 h LYS 148 Cb 1.21 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.84 1sw3 h LYS 148 CO 0.13 0.45 0.47 0.00 -2.27 0.00 0.00 179.45 178.23 1sw3 h ALA 149 N 1.16 1.83 0.02 5.00 0.00 -1.36 -0.83 119.26 125.09 1sw3 h ALA 149 Ca 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1sw3 h ALA 149 Cb -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1sw3 h ALA 149 CO -0.04 0.02 -0.01 0.82 0.00 0.00 0.00 179.25 180.05 1sw3 h ILE 150 N 0.63 1.42 -0.24 0.00 2.04 -1.20 -3.36 117.51 116.80 1sw3 h ILE 150 Ca 0.32 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.71 1sw3 h ILE 150 Cb 0.44 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 1sw3 h ILE 150 CO -0.11 0.37 0.07 0.00 0.00 0.00 0.00 178.15 178.47 1sw3 h ALA 151 N 0.27 1.68 0.00 1.87 0.00 -0.15 0.86 119.26 123.78 1sw3 h ALA 151 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sw3 h ALA 151 Cb 0.63 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1sw3 h ALA 151 CO 0.01 0.25 0.00 -0.44 0.00 0.00 0.00 179.25 179.07 1sw3 h ASP 152 N 0.33 0.00 -0.27 0.00 3.32 -1.32 -2.46 116.42 116.02 1sw3 h ASP 152 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1sw3 h ASP 152 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1sw3 h ASP 152 CO -0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 1sw3 n ASN 153 N -2.65 3.32 -4.21 6.45 3.02 0.29 -4.96 115.26 116.52 1sw3 n ASN 153 Ca -0.01 -2.53 -0.34 0.00 -0.03 0.00 0.00 54.58 51.67 1sw3 n ASN 153 Cb 0.13 -0.38 -0.15 0.00 -0.61 0.00 0.00 39.78 38.77 1sw3 n ASN 153 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1sw3 s VAL 154 N -1.96 2.57 -0.21 2.41 1.01 -0.93 -3.85 120.40 119.45 1sw3 s VAL 154 Ca 0.32 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 1sw3 s VAL 154 Cb 0.23 -2.11 -0.12 0.00 0.00 0.00 0.00 36.38 34.38 1sw3 s VAL 154 CO 0.11 0.50 -0.12 0.29 0.00 0.00 0.00 175.10 175.88 1sw3 n LYS 155 N 4.47 0.55 -3.89 2.72 4.76 -1.26 -4.90 118.16 120.61 1sw3 n LYS 155 Ca -0.20 0.42 -0.35 0.00 -2.87 0.00 0.00 58.31 55.31 1sw3 n LYS 155 Cb 0.51 -1.61 -0.14 0.00 -1.84 0.00 0.00 35.03 31.95 1sw3 n LYS 155 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1sw3 s ASP 156 N -6.70 4.62 0.00 4.39 3.68 -1.26 -4.99 116.67 116.40 1sw3 s ASP 156 Ca -0.29 -0.85 0.29 0.00 2.13 0.00 0.00 52.55 53.82 1sw3 s ASP 156 Cb 0.08 -1.74 1.27 0.00 -1.45 0.00 0.00 42.92 41.08 1sw3 s ASP 156 CO 0.47 -0.16 1.89 0.79 0.13 0.00 0.00 175.17 178.29 1sw3 n TRP 157 N 4.73 0.00 0.27 -5.34 7.02 -1.26 -4.07 117.44 118.79 1sw3 n TRP 157 Ca -0.16 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.47 1sw3 n TRP 157 Cb 0.47 -0.22 0.76 0.00 -2.42 0.00 0.00 31.31 29.90 1sw3 n TRP 157 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1sw3 h SER 158 N 0.39 0.00 -0.43 -0.99 4.64 -1.97 -2.35 113.55 112.84 1sw3 h SER 158 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1sw3 h SER 158 Cb 0.35 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 1sw3 h SER 158 CO 0.00 0.10 0.04 0.29 -0.87 0.00 0.00 176.83 176.39 1sw3 n LYS 159 N -3.50 3.49 -4.94 4.77 5.02 -1.26 -4.97 118.16 116.77 1sw3 n LYS 159 Ca -0.02 -3.00 -0.33 0.00 -2.02 0.00 0.00 58.31 52.95 1sw3 n LYS 159 Cb 0.24 -2.02 -0.14 0.00 -0.02 0.00 0.00 35.03 33.09 1sw3 n LYS 159 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1sw3 s VAL 160 N -2.88 2.84 -0.13 -0.18 1.01 -0.89 -0.94 120.40 119.23 1sw3 s VAL 160 Ca 0.48 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1sw3 s VAL 160 Cb 0.38 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1sw3 s VAL 160 CO 0.11 0.56 -0.22 -0.69 0.00 0.00 0.00 175.10 174.86 1sw3 s VAL 161 N -0.24 2.10 -0.05 2.92 1.01 0.25 -4.47 120.40 121.92 1sw3 s VAL 161 Ca 0.01 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 1sw3 s VAL 161 Cb -0.13 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 1sw3 s VAL 161 CO 0.03 0.55 0.48 -0.76 0.00 0.00 0.00 175.10 175.41 1sw3 s LEU 162 N 0.63 4.38 -0.25 3.92 1.43 -0.64 -1.07 118.68 127.08 1sw3 s LEU 162 Ca -0.11 0.96 0.01 0.00 -1.03 0.00 0.00 54.13 53.95 1sw3 s LEU 162 Cb -0.16 -2.72 0.05 0.00 0.03 0.00 0.00 46.19 43.38 1sw3 s LEU 162 CO 0.02 0.14 -0.09 0.00 0.23 0.00 0.00 176.35 176.65 1sw3 s ALA 163 N -0.16 2.60 -0.40 4.21 0.00 -0.15 -0.16 121.76 127.70 1sw3 s ALA 163 Ca 0.26 -1.63 -0.24 0.00 0.00 0.00 0.00 51.96 50.35 1sw3 s ALA 163 Cb -0.16 -1.61 0.02 0.00 0.00 0.00 0.00 23.12 21.36 1sw3 s ALA 163 CO 0.13 -1.02 0.86 -0.47 0.00 0.00 0.00 175.76 175.26 1sw3 s TYR 164 N 1.20 3.03 -0.27 0.00 5.04 0.32 -1.21 117.35 125.47 1sw3 s TYR 164 Ca -0.05 0.50 -0.00 0.00 -2.44 0.00 0.00 57.07 55.08 1sw3 s TYR 164 Cb -0.18 -3.65 0.08 0.00 0.35 0.00 0.00 41.96 38.56 1sw3 s TYR 164 CO -0.05 -0.89 0.05 -1.21 -1.34 0.00 0.00 175.55 172.10 1sw3 s GLU 165 N 3.39 0.96 0.23 4.97 2.02 -0.10 -1.77 118.70 128.41 1sw3 s GLU 165 Ca 0.34 -0.98 -0.31 0.00 0.02 0.00 0.00 54.97 54.04 1sw3 s GLU 165 Cb -0.12 -2.25 -0.10 0.00 0.10 0.00 0.00 34.13 31.76 1sw3 s GLU 165 CO 0.21 -0.82 1.53 -1.25 0.02 0.00 0.00 175.26 174.94 1sw3 s PRO 166 N 1.56 4.21 0.41 0.39 0.04 -1.26 -4.22 135.00 136.13 1sw3 s PRO 166 Ca 0.04 2.39 0.07 0.00 0.04 0.00 0.00 61.00 63.55 1sw3 s PRO 166 Cb -0.18 -3.10 0.86 0.00 0.04 0.00 0.00 34.50 32.12 1sw3 s PRO 166 CO -0.16 -0.54 2.04 0.28 0.04 0.00 0.00 177.00 178.67 1sw3 h VAL 167 N 3.67 1.11 0.00 -0.36 2.07 -1.18 -1.60 116.25 119.96 1sw3 h VAL 167 Ca -0.45 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1sw3 h VAL 167 Cb 1.21 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1sw3 h VAL 167 CO 0.83 0.12 0.00 -2.67 0.02 0.00 0.00 177.57 175.87 1sw3 n TRP 168 N -4.45 0.47 0.84 1.57 4.27 -1.26 -2.54 117.44 116.33 1sw3 n TRP 168 Ca 0.02 0.19 0.09 0.00 -3.89 0.00 0.00 57.50 53.91 1sw3 n TRP 168 Cb 0.08 -0.81 -0.06 0.00 -1.36 0.00 0.00 31.31 29.16 1sw3 n TRP 168 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1sw3 n ALA 169 N -1.66 3.94 -2.62 -1.67 0.00 -0.61 -4.64 120.51 113.25 1sw3 n ALA 169 Ca 0.02 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.50 1sw3 n ALA 169 Cb 0.19 -0.65 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 1sw3 n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sw3 s ILE 170 N -2.47 4.57 0.00 0.00 1.01 -1.05 -2.12 121.20 121.14 1sw3 s ILE 170 Ca 0.10 1.44 0.00 0.00 0.00 0.00 0.00 60.65 62.19 1sw3 s ILE 170 Cb 0.14 -4.35 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1sw3 s ILE 170 CO 0.63 -0.48 0.00 0.61 0.00 0.00 0.00 174.94 175.70 1sw3 n GLY 171 N 4.13 1.20 0.10 6.18 0.00 -1.26 -4.84 105.19 110.70 1sw3 n GLY 171 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.18 1sw3 n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sw3 n THR 172 N -2.00 0.74 0.00 2.61 -2.24 -1.25 -4.96 114.28 107.18 1sw3 n THR 172 Ca 0.00 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1sw3 n THR 172 Cb 0.00 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 1sw3 n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sw3 n GLY 173 N 1.27 1.86 3.52 3.38 0.00 -1.26 -5.00 105.19 108.95 1sw3 n GLY 173 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1sw3 n GLY 173 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sw3 s LYS 174 N -0.59 3.71 0.41 1.61 2.47 -1.26 -4.97 119.74 121.13 1sw3 s LYS 174 Ca 0.00 -1.61 -0.23 0.00 -1.56 0.00 0.00 55.97 52.57 1sw3 s LYS 174 Cb 0.00 -5.23 -0.09 0.00 -1.46 0.00 0.00 37.83 31.05 1sw3 s LYS 174 CO 0.00 -2.04 1.02 0.54 0.16 0.00 0.00 175.35 175.02 1sw3 s VAL 175 N 3.83 3.89 0.61 4.02 0.11 -1.26 -4.13 120.40 127.46 1sw3 s VAL 175 Ca 0.43 1.36 -0.18 0.00 -2.93 0.00 0.00 61.98 60.65 1sw3 s VAL 175 Cb -0.01 -3.65 -0.03 0.00 -1.53 0.00 0.00 36.38 31.16 1sw3 s VAL 175 CO -0.06 -0.08 1.20 0.00 -3.33 0.00 0.00 175.10 172.83 1sw3 s ALA 176 N -1.81 2.51 0.70 1.54 0.00 -1.26 -5.01 121.76 118.43 1sw3 s ALA 176 Ca 0.60 0.97 -0.11 0.00 0.00 0.00 0.00 51.96 53.42 1sw3 s ALA 176 Cb -0.18 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.50 1sw3 s ALA 176 CO 0.23 -1.22 1.07 0.95 0.00 0.00 0.00 175.76 176.78 1sw3 s THR 177 N -1.67 3.88 0.40 0.00 -4.23 -1.26 -4.86 115.64 107.90 1sw3 s THR 177 Ca 0.77 0.64 0.14 0.00 -1.18 0.00 0.00 61.69 62.05 1sw3 s THR 177 Cb -0.30 -3.32 0.35 0.00 1.34 0.00 0.00 72.50 70.58 1sw3 s THR 177 CO 0.34 -0.77 1.89 -0.65 -0.54 0.00 0.00 174.62 174.89 1sw3 h PRO 178 N -0.66 0.50 0.00 3.99 0.11 -1.95 -1.79 132.00 132.20 1sw3 h PRO 178 Ca -0.44 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 65.39 1sw3 h PRO 178 Cb 1.21 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.22 1sw3 h PRO 178 CO 0.56 0.33 -0.99 1.96 -0.21 0.00 0.00 178.00 179.65 1sw3 h GLN 179 N 0.52 0.55 -0.51 1.05 7.50 -1.97 -0.85 115.11 121.39 1sw3 h GLN 179 Ca 0.42 -0.59 -0.00 0.00 0.50 0.00 0.00 58.65 58.97 1sw3 h GLN 179 Cb 0.86 0.17 -0.02 0.00 0.05 0.00 0.00 27.48 28.54 1sw3 h GLN 179 CO -0.16 1.21 0.30 1.96 -1.50 0.00 0.00 178.83 180.64 1sw3 h GLN 180 N 0.31 0.70 -0.11 1.46 4.20 -1.76 -2.22 115.11 117.69 1sw3 h GLN 180 Ca -0.10 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.51 1sw3 h GLN 180 Cb 1.64 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 29.27 1sw3 h GLN 180 CO 0.18 0.52 -0.03 0.00 -0.67 0.00 0.00 178.83 178.83 1sw3 h ALA 181 N 1.14 0.15 -0.74 3.87 0.00 -1.32 -2.96 119.26 119.40 1sw3 h ALA 181 Ca 0.18 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1sw3 h ALA 181 Cb 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 1sw3 h ALA 181 CO -0.03 -0.11 0.41 0.37 0.00 0.00 0.00 179.25 179.89 1sw3 h GLN 182 N -0.11 0.69 -0.45 0.00 5.75 -1.12 -1.00 115.11 118.87 1sw3 h GLN 182 Ca 0.03 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1sw3 h GLN 182 Cb 0.45 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 1sw3 h GLN 182 CO 0.01 0.46 0.27 1.49 -2.65 0.00 0.00 178.83 178.41 1sw3 h GLU 183 N 0.71 0.61 -0.19 1.69 4.81 -1.35 -0.67 114.58 120.20 1sw3 h GLU 183 Ca 0.35 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 1sw3 h GLU 183 Cb 0.30 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1sw3 h GLU 183 CO -0.23 0.45 -0.06 0.28 -0.73 0.00 0.00 179.01 178.72 1sw3 h VAL 184 N 0.60 1.30 -0.64 0.32 2.07 -1.32 -2.46 116.25 116.12 1sw3 h VAL 184 Ca 0.16 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1sw3 h VAL 184 Cb 0.00 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1sw3 h VAL 184 CO -0.03 0.32 0.34 0.45 0.02 0.00 0.00 177.57 178.68 1sw3 h HIS 185 N 0.08 0.88 -0.58 1.57 3.86 -1.04 -0.82 115.15 119.09 1sw3 h HIS 185 Ca 0.05 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1sw3 h HIS 185 Cb 0.52 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.68 1sw3 h HIS 185 CO 0.06 0.63 0.35 1.49 0.86 0.00 0.00 177.93 181.32 1sw3 h GLU 186 N 0.87 0.67 -0.55 2.45 4.81 -1.15 0.59 114.58 122.26 1sw3 h GLU 186 Ca 0.22 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.31 1sw3 h GLU 186 Cb 0.05 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1sw3 h GLU 186 CO -0.03 0.44 -0.05 0.87 -0.73 0.00 0.00 179.01 179.51 1sw3 h LYS 187 N 0.69 0.99 -0.55 1.92 1.57 -1.06 -1.30 116.57 118.83 1sw3 h LYS 187 Ca 0.24 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1sw3 h LYS 187 Cb 0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1sw3 h LYS 187 CO -0.11 1.00 0.04 -0.07 -0.57 0.00 0.00 179.45 179.74 1sw3 h LEU 188 N 0.90 0.92 -0.84 2.94 3.38 -0.81 0.96 115.31 122.75 1sw3 h LEU 188 Ca 0.15 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1sw3 h LEU 188 Cb 0.59 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1sw3 h LEU 188 CO 0.04 0.98 -0.00 -0.09 0.09 0.00 0.00 178.44 179.45 1sw3 h ARG 189 N 0.83 0.86 -0.37 1.13 2.43 -0.73 -1.28 114.38 117.25 1sw3 h ARG 189 Ca 0.16 -0.24 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 1sw3 h ARG 189 Cb 0.48 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1sw3 h ARG 189 CO 0.02 0.86 -0.04 0.78 -1.51 0.00 0.00 179.97 180.09 1sw3 h GLY 190 N 0.99 0.64 0.99 2.80 0.00 -0.93 -1.96 103.07 105.59 1sw3 h GLY 190 Ca 0.15 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1sw3 h GLY 190 CO 0.02 0.38 0.15 -0.25 0.00 0.00 0.00 176.54 176.85 1sw3 h TRP 191 N 0.56 0.88 -0.71 5.60 7.01 -0.21 -2.46 115.95 126.62 1sw3 h TRP 191 Ca 0.11 -0.09 -0.03 0.00 2.11 0.00 0.00 58.89 60.99 1sw3 h TRP 191 Cb 0.41 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.19 1sw3 h TRP 191 CO 0.02 0.76 0.32 -0.07 -2.79 0.00 0.00 178.44 176.67 1sw3 h LEU 192 N 0.75 0.94 -0.09 0.65 3.38 -1.01 -1.01 115.31 118.91 1sw3 h LEU 192 Ca 0.17 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1sw3 h LEU 192 Cb 0.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1sw3 h LEU 192 CO -0.00 0.81 0.04 0.50 0.09 0.00 0.00 178.44 179.88 1sw3 h LYS 193 N 1.02 0.09 0.02 1.13 3.64 -1.03 -0.98 116.57 120.45 1sw3 h LYS 193 Ca 0.25 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.39 1sw3 h LYS 193 Cb 0.14 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1sw3 h LYS 193 CO -0.03 0.06 -1.17 0.66 -2.27 0.00 0.00 179.45 176.70 1sw3 h SER 194 N 0.09 0.05 0.00 4.20 4.64 -1.35 -3.22 113.55 117.97 1sw3 h SER 194 Ca 0.03 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1sw3 h SER 194 Cb 0.01 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1sw3 h SER 194 CO -0.03 1.05 -1.56 1.41 -0.87 0.00 0.00 176.83 176.83 1sw3 n HIS 195 N -3.32 0.00 0.00 4.77 8.25 -0.39 -4.87 115.22 119.66 1sw3 n HIS 195 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1sw3 n HIS 195 Cb 0.97 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.80 1sw3 n HIS 195 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1sw3 n VAL 196 N -1.93 0.00 -3.58 1.59 0.31 -0.45 -5.05 118.33 109.22 1sw3 n VAL 196 Ca -0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1sw3 n VAL 196 Cb 0.46 -0.60 -0.02 0.00 -0.91 0.00 0.00 33.84 32.77 1sw3 n VAL 196 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1sw3 s SER 197 N -2.11 -0.17 0.23 4.52 1.04 -0.76 -5.01 113.70 111.45 1sw3 s SER 197 Ca 0.00 -0.02 -0.07 0.00 0.48 0.00 0.00 55.95 56.34 1sw3 s SER 197 Cb 0.00 0.20 0.21 0.00 0.10 0.00 0.00 66.02 66.52 1sw3 s SER 197 CO 0.00 -0.32 1.87 -0.78 0.98 0.00 0.00 173.24 174.99 1sw3 h ASP 198 N 2.00 1.09 -0.25 7.02 1.82 -1.82 -2.04 116.42 124.23 1sw3 h ASP 198 Ca -0.13 -0.08 -0.12 0.00 -0.39 0.00 0.00 57.03 56.31 1sw3 h ASP 198 Cb 1.18 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.91 1sw3 h ASP 198 CO 0.25 0.84 -0.27 0.00 -1.61 0.00 0.00 179.24 178.45 1sw3 h ALA 199 N 1.29 0.84 -0.26 -0.78 0.00 -1.94 -1.57 119.26 116.84 1sw3 h ALA 199 Ca 0.32 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1sw3 h ALA 199 Cb -0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1sw3 h ALA 199 CO -0.06 0.64 -0.37 0.28 0.00 0.00 0.00 179.25 179.74 1sw3 h VAL 200 N 0.64 1.31 -0.94 0.00 2.07 -1.89 -2.71 116.25 114.72 1sw3 h VAL 200 Ca 0.08 -1.56 0.11 0.00 0.82 0.00 0.00 66.70 66.14 1sw3 h VAL 200 Cb 0.79 1.68 -0.08 0.00 -1.52 0.00 0.00 31.29 32.16 1sw3 h VAL 200 CO 0.07 0.50 0.58 0.00 0.02 0.00 0.00 177.57 178.73 1sw3 h ALA 201 N 0.67 1.39 0.00 1.67 0.00 -1.07 -1.73 119.26 120.19 1sw3 h ALA 201 Ca 0.03 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1sw3 h ALA 201 Cb 0.96 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1sw3 h ALA 201 CO 0.09 0.21 -0.50 1.96 0.00 0.00 0.00 179.25 181.00 1sw3 h GLN 202 N 0.95 0.00 0.00 0.00 7.50 -1.22 -3.33 115.11 119.01 1sw3 h GLN 202 Ca 0.46 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.61 1sw3 h GLN 202 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.94 1sw3 h GLN 202 CO -0.25 0.38 -0.84 -1.13 -1.50 0.00 0.00 178.83 175.49 1sw3 n SER 203 N -3.16 0.80 -4.69 1.46 3.41 -1.03 -4.74 113.62 105.67 1sw3 n SER 203 Ca 0.01 -0.83 -0.40 0.00 -0.26 0.00 0.00 58.87 57.39 1sw3 n SER 203 Cb 0.70 1.05 -0.05 0.00 -0.26 0.00 0.00 64.21 65.65 1sw3 n SER 203 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1sw3 s THR 204 N -2.59 5.01 0.09 6.66 2.01 -0.67 -4.92 115.64 121.23 1sw3 s THR 204 Ca 0.05 1.42 -0.31 0.00 0.31 0.00 0.00 61.69 63.17 1sw3 s THR 204 Cb 0.12 -4.04 -0.07 0.00 0.01 0.00 0.00 72.50 68.53 1sw3 s THR 204 CO 0.68 0.17 1.24 -0.13 -0.69 0.00 0.00 174.62 175.89 1sw3 s ARG 205 N 1.35 4.42 -0.28 4.92 3.00 -1.26 -4.98 118.95 126.12 1sw3 s ARG 205 Ca 0.36 1.86 0.01 0.00 0.00 0.00 0.00 55.73 57.96 1sw3 s ARG 205 Cb -0.17 -3.31 0.06 0.00 0.00 0.00 0.00 34.95 31.53 1sw3 s ARG 205 CO 0.15 -0.27 -0.07 0.42 0.00 0.00 0.00 175.30 175.53 1sw3 s ILE 206 N 0.88 2.46 0.17 1.52 1.01 -1.26 -1.62 121.20 124.37 1sw3 s ILE 206 Ca 0.59 -1.58 0.04 0.00 0.00 0.00 0.00 60.65 59.71 1sw3 s ILE 206 Cb -0.32 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 1sw3 s ILE 206 CO 0.31 -0.08 0.20 0.27 0.00 0.00 0.00 174.94 175.64 1sw3 s ILE 207 N 1.15 4.78 -0.11 2.92 -4.36 0.78 -1.61 121.20 124.74 1sw3 s ILE 207 Ca -0.07 -0.99 -0.03 0.00 -0.26 0.00 0.00 60.65 59.29 1sw3 s ILE 207 Cb -0.20 -3.47 -0.03 0.00 1.25 0.00 0.00 42.46 40.00 1sw3 s ILE 207 CO -0.04 -0.14 0.02 -0.47 0.24 0.00 0.00 174.94 174.55 1sw3 s TYR 208 N -1.80 3.19 0.09 1.37 6.14 -0.63 -0.52 117.35 125.19 1sw3 s TYR 208 Ca 0.32 0.15 0.03 0.00 0.64 0.00 0.00 57.07 58.21 1sw3 s TYR 208 Cb -0.10 -1.86 -0.04 0.00 0.42 0.00 0.00 41.96 40.38 1sw3 s TYR 208 CO 0.25 0.39 -0.08 0.20 0.64 0.00 0.00 175.55 176.95 1sw3 s GLY 209 N -0.57 0.76 0.00 8.97 0.00 -0.73 -1.40 107.32 114.35 1sw3 s GLY 209 Ca 0.10 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.62 1sw3 s GLY 209 CO 0.02 -1.28 0.00 0.61 0.00 0.00 0.00 173.10 172.45 1sw3 n GLY 210 N 0.43 1.73 2.57 0.20 0.00 -1.26 -4.02 105.19 104.85 1sw3 n GLY 210 Ca -0.15 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.23 1sw3 n GLY 210 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sw3 n SER 211 N 0.00 -5.21 -4.71 1.61 7.64 -0.90 -4.38 113.62 107.67 1sw3 n SER 211 Ca 0.00 -0.13 -0.42 0.00 1.01 0.00 0.00 58.87 59.33 1sw3 n SER 211 Cb 0.00 -4.17 -0.03 0.00 -1.01 0.00 0.00 64.21 59.00 1sw3 n SER 211 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1sw3 s VAL 212 N -2.97 3.68 0.32 0.44 1.01 -1.26 -4.67 120.40 116.94 1sw3 s VAL 212 Ca 0.13 1.20 0.03 0.00 0.00 0.00 0.00 61.98 63.34 1sw3 s VAL 212 Cb -0.06 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 1sw3 s VAL 212 CO 0.16 0.09 0.07 0.42 0.00 0.00 0.00 175.10 175.84 1sw3 s THR 213 N 1.17 1.06 0.39 3.92 -4.23 -1.26 -4.52 115.64 112.17 1sw3 s THR 213 Ca 0.62 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.24 1sw3 s THR 213 Cb -0.33 -2.75 0.33 0.00 1.34 0.00 0.00 72.50 71.09 1sw3 s THR 213 CO 0.29 0.00 1.92 1.23 -0.54 0.00 0.00 174.62 177.53 1sw3 h GLY 214 N 2.15 0.87 2.00 3.99 0.00 -1.95 -2.28 103.07 107.85 1sw3 h GLY 214 Ca -0.40 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 46.58 1sw3 h GLY 214 CO 0.68 0.11 -0.52 -1.33 0.00 0.00 0.00 176.54 175.47 1sw3 h GLY 215 N 0.56 0.00 -0.55 4.60 0.00 -1.96 -3.35 103.07 102.38 1sw3 h GLY 215 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1sw3 h GLY 215 CO -0.13 0.00 -0.08 1.16 0.00 0.00 0.00 176.54 177.49 1sw3 n ASN 216 N -3.78 1.43 0.12 0.19 0.23 -1.11 -4.73 115.26 107.61 1sw3 n ASN 216 Ca -0.01 -1.21 -0.02 0.00 -0.53 0.00 0.00 54.58 52.80 1sw3 n ASN 216 Cb 0.56 0.22 0.18 0.00 -2.08 0.00 0.00 39.78 38.66 1sw3 n ASN 216 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sw3 h LYS 218 N 0.09 0.72 -0.35 0.00 1.57 -1.83 0.11 116.57 116.88 1sw3 h LYS 218 Ca -0.00 -0.35 -0.15 0.00 -1.87 0.00 0.00 60.65 58.28 1sw3 h LYS 218 Cb 1.02 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1sw3 h LYS 218 CO 0.08 0.96 -0.37 1.49 -0.57 0.00 0.00 179.45 181.04 1sw3 h GLU 219 N 0.48 0.81 -0.33 3.15 4.81 -1.92 -2.53 114.58 119.04 1sw3 h GLU 219 Ca 0.06 -0.41 0.03 0.00 -0.13 0.00 0.00 59.36 58.91 1sw3 h GLU 219 Cb 0.79 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 1sw3 h GLU 219 CO 0.06 1.04 0.14 -0.07 -0.73 0.00 0.00 179.01 179.45 1sw3 h LEU 220 N 0.67 0.19 -1.75 1.64 3.38 -1.51 -2.93 115.31 114.99 1sw3 h LEU 220 Ca 0.06 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1sw3 h LEU 220 Cb 0.92 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1sw3 h LEU 220 CO 0.08 0.14 -0.11 0.00 0.09 0.00 0.00 178.44 178.65 1sw3 h ALA 221 N 1.19 1.14 0.00 1.53 0.00 -0.76 -2.50 119.26 119.87 1sw3 h ALA 221 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1sw3 h ALA 221 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1sw3 h ALA 221 CO -0.12 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.14 1sw3 n SER 222 N -3.43 0.10 -4.77 0.00 3.41 -0.97 -4.80 113.62 103.16 1sw3 n SER 222 Ca -0.01 0.52 -0.38 0.00 -0.26 0.00 0.00 58.87 58.74 1sw3 n SER 222 Cb 0.28 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 1sw3 n SER 222 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1sw3 s GLN 223 N -3.03 4.18 0.49 4.33 -1.52 -0.94 -4.94 119.66 118.23 1sw3 s GLN 223 Ca 0.10 1.74 0.28 0.00 -1.95 0.00 0.00 55.36 55.53 1sw3 s GLN 223 Cb 0.14 -2.72 1.04 0.00 -0.22 0.00 0.00 33.01 31.25 1sw3 s GLN 223 CO 0.41 -0.18 1.87 0.45 -0.25 0.00 0.00 175.29 177.58 1sw3 h HIS 224 N 2.78 0.00 -0.19 0.91 3.86 -1.90 -2.96 115.15 117.65 1sw3 h HIS 224 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 1sw3 h HIS 224 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1sw3 h HIS 224 CO 0.56 0.11 0.00 -0.25 0.86 0.00 0.00 177.93 179.21 1sw3 n ASP 225 N -3.23 2.43 -4.51 2.45 9.92 -1.26 -4.90 116.55 117.45 1sw3 n ASP 225 Ca 0.01 -1.77 -0.42 0.00 -0.53 0.00 0.00 54.79 52.08 1sw3 n ASP 225 Cb 0.39 -0.13 -0.08 0.00 -0.64 0.00 0.00 41.12 40.66 1sw3 n ASP 225 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1sw3 s VAL 226 N -0.93 5.06 -2.02 2.53 1.01 -1.12 -4.68 120.40 120.25 1sw3 s VAL 226 Ca 0.17 -0.09 0.22 0.00 0.00 0.00 0.00 61.98 62.28 1sw3 s VAL 226 Cb 0.10 -3.99 0.58 0.00 0.00 0.00 0.00 36.38 33.06 1sw3 s VAL 226 CO 0.13 -0.33 1.49 0.47 0.00 0.00 0.00 175.10 176.86 1sw3 n ASP 227 N 5.65 3.79 0.00 3.32 10.43 -0.64 -4.81 116.55 134.29 1sw3 n ASP 227 Ca -0.07 -1.99 0.00 0.00 2.57 0.00 0.00 54.79 55.30 1sw3 n ASP 227 Cb 0.48 -0.42 0.00 0.00 1.84 0.00 0.00 41.12 43.02 1sw3 n ASP 227 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1sw3 n GLY 228 N 1.55 0.47 3.02 0.44 0.00 -1.26 -1.67 105.19 107.74 1sw3 n GLY 228 Ca 0.23 -1.66 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 1sw3 n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sw3 s PHE 229 N -2.83 0.32 -0.20 1.61 0.08 -0.30 -1.60 117.98 115.07 1sw3 s PHE 229 Ca 0.00 -0.66 -0.04 0.00 0.12 0.00 0.00 56.93 56.35 1sw3 s PHE 229 Cb 0.00 -0.24 -0.01 0.00 -0.57 0.00 0.00 43.02 42.20 1sw3 s PHE 229 CO 0.00 -0.25 -0.05 -1.17 -0.10 0.00 0.00 175.22 173.65 1sw3 s LEU 230 N -1.89 2.97 -0.15 -0.37 2.96 -0.49 -1.35 118.68 120.35 1sw3 s LEU 230 Ca -0.09 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1sw3 s LEU 230 Cb -0.05 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.92 1sw3 s LEU 230 CO -0.04 0.03 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.13 1sw3 s VAL 231 N 1.16 2.05 0.00 1.68 1.01 -0.21 -4.00 120.40 122.09 1sw3 s VAL 231 Ca 0.02 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1sw3 s VAL 231 Cb -0.14 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1sw3 s VAL 231 CO -0.01 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1sw3 n GLY 232 N 4.28 0.18 0.29 4.51 0.00 -1.26 -0.23 105.19 112.96 1sw3 n GLY 232 Ca -0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.89 1sw3 n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sw3 h GLY 233 N 0.00 1.26 2.00 -0.02 0.00 -1.92 -0.37 103.07 104.03 1sw3 h GLY 233 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1sw3 h GLY 233 CO 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 176.54 176.42 1sw3 n ALA 234 N -2.50 1.88 0.53 3.60 0.00 -1.26 -2.95 120.51 119.81 1sw3 n ALA 234 Ca 0.16 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.71 1sw3 n ALA 234 Cb 0.46 -1.37 0.44 0.00 0.00 0.00 0.00 19.45 18.98 1sw3 n ALA 234 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sw3 n SER 235 N -1.93 0.46 -0.63 0.00 3.41 -0.15 -2.21 113.62 112.57 1sw3 n SER 235 Ca 0.04 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 1sw3 n SER 235 Cb 0.27 -0.70 0.38 0.00 -0.26 0.00 0.00 64.21 63.90 1sw3 n SER 235 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1sw3 n LEU 236 N -1.98 1.92 -4.50 1.04 4.77 -1.15 -4.89 117.00 112.20 1sw3 n LEU 236 Ca 0.04 -0.76 -0.25 0.00 -0.03 0.00 0.00 56.01 55.01 1sw3 n LEU 236 Cb 0.26 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 1sw3 n LEU 236 CO 0.21 0.38 -0.46 -0.54 -1.33 0.00 0.00 177.39 175.65 1sw3 s LYS 237 N -1.82 1.79 0.47 3.23 1.02 -0.94 -5.03 119.74 118.47 1sw3 s LYS 237 Ca 0.34 -1.56 0.25 0.00 0.02 0.00 0.00 55.97 55.02 1sw3 s LYS 237 Cb 0.19 -1.92 1.28 0.00 -0.52 0.00 0.00 37.83 36.86 1sw3 s LYS 237 CO 0.29 0.37 1.85 -1.35 -0.92 0.00 0.00 175.35 175.59 1sw3 h PRO 238 N 2.58 0.21 0.00 -1.68 0.11 -1.92 -1.98 132.00 129.31 1sw3 h PRO 238 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1sw3 h PRO 238 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1sw3 h PRO 238 CO 0.56 0.14 0.00 -0.85 -0.21 0.00 0.00 178.00 177.63 1sw3 n GLU 239 N -4.41 0.06 -0.28 1.05 0.28 -1.26 -1.63 120.64 114.44 1sw3 n GLU 239 Ca 0.21 0.50 0.11 0.00 -0.16 0.00 0.00 57.16 57.81 1sw3 n GLU 239 Cb 0.88 -1.67 0.35 0.00 1.43 0.00 0.00 31.44 32.43 1sw3 n GLU 239 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1sw3 h PHE 240 N 0.00 0.87 -0.76 -1.84 3.57 -1.40 -1.13 116.94 116.25 1sw3 h PHE 240 Ca 0.00 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.58 1sw3 h PHE 240 Cb 0.07 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 38.48 1sw3 h PHE 240 CO 0.00 0.33 0.45 0.28 -2.23 0.00 0.00 178.31 177.14 1sw3 h VAL 241 N 0.74 1.01 -0.10 1.41 2.07 -1.54 -1.49 116.25 118.34 1sw3 h VAL 241 Ca 0.45 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.60 1sw3 h VAL 241 Cb 0.68 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1sw3 h VAL 241 CO -0.22 0.15 -0.37 0.44 0.02 0.00 0.00 177.57 177.60 1sw3 h ASP 242 N 0.83 0.21 -0.27 0.57 3.32 -1.41 -1.97 116.42 117.70 1sw3 h ASP 242 Ca 0.33 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 1sw3 h ASP 242 Cb 0.17 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1sw3 h ASP 242 CO -0.17 0.56 -0.26 0.40 -1.72 0.00 0.00 179.24 178.05 1sw3 h ILE 243 N 0.17 1.31 -0.98 0.35 2.04 -1.01 -2.39 117.51 117.01 1sw3 h ILE 243 Ca 0.02 -1.43 0.08 0.00 1.00 0.00 0.00 64.86 64.54 1sw3 h ILE 243 Cb 0.73 1.61 -0.07 0.00 -0.74 0.00 0.00 36.82 38.35 1sw3 h ILE 243 CO 0.06 0.45 0.63 0.40 0.00 0.00 0.00 178.15 179.69 1sw3 h ILE 244 N 0.40 1.02 -0.41 -0.67 2.04 -1.12 -2.29 117.51 116.48 1sw3 h ILE 244 Ca 0.04 -0.37 -0.12 0.00 1.00 0.00 0.00 64.86 65.41 1sw3 h ILE 244 Cb 0.83 -0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 1sw3 h ILE 244 CO 0.07 0.20 0.16 0.59 0.00 0.00 0.00 178.15 179.16 1sw3 n ASN 245 N -4.53 3.48 0.25 1.72 3.02 -0.75 -4.66 115.26 113.78 1sw3 n ASN 245 Ca 0.16 -2.66 0.08 0.00 -0.03 0.00 0.00 54.58 52.13 1sw3 n ASN 245 Cb 0.25 -0.64 0.63 0.00 -0.61 0.00 0.00 39.78 39.41 1sw3 n ASN 245 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sw3 h ALA 246 N 2.36 1.84 -0.30 5.41 0.00 -0.89 -2.40 119.26 125.28 1sw3 h ALA 246 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1sw3 h ALA 246 Cb 1.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1sw3 h ALA 246 CO 0.41 0.08 0.00 1.63 0.00 0.00 0.00 179.25 181.37 1sw3 n LYS 247 N -4.38 2.41 0.00 0.00 5.02 -1.26 -4.69 118.16 115.26 1sw3 n LYS 247 Ca -0.03 -1.37 0.00 0.00 -2.02 0.00 0.00 58.31 54.89 1sw3 n LYS 247 Cb 0.14 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1sw3 n LYS 247 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60