#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 4.28 -0.06 0.00 0.02 -1.26 -4.89 135.00 133.09 1sw3 s PRO 3 Ca 0.00 1.84 -0.30 0.00 0.02 0.00 0.00 61.00 62.56 1sw3 s PRO 3 Cb 0.00 -2.87 -0.02 0.00 0.02 0.00 0.00 34.50 31.63 1sw3 s PRO 3 CO 0.00 -0.12 1.01 1.03 -0.33 0.00 0.00 177.00 178.59 1sw3 s ARG 4 N -2.00 4.47 0.06 5.54 0.52 -1.26 -5.00 118.95 121.27 1sw3 s ARG 4 Ca 0.52 1.43 -0.30 0.00 -0.52 0.00 0.00 55.73 56.86 1sw3 s ARG 4 Cb -0.31 -3.51 -0.08 0.00 0.52 0.00 0.00 34.95 31.57 1sw3 s ARG 4 CO 0.40 -0.23 1.73 0.21 0.02 0.00 0.00 175.30 177.43 1sw3 s LYS 5 N 1.65 4.18 0.30 3.54 2.20 -1.26 -4.95 119.74 125.39 1sw3 s LYS 5 Ca 0.50 2.40 -0.29 0.00 -0.36 0.00 0.00 55.97 58.22 1sw3 s LYS 5 Cb -0.20 -3.74 -0.13 0.00 -1.51 0.00 0.00 37.83 32.26 1sw3 s LYS 5 CO 0.22 -0.80 1.35 0.34 -0.36 0.00 0.00 175.35 176.10 1sw3 n PHE 6 N 6.12 2.26 -3.95 4.03 -0.00 -1.24 -4.83 117.46 119.85 1sw3 n PHE 6 Ca 0.17 0.49 -0.25 0.00 -0.00 0.00 0.00 57.45 57.86 1sw3 n PHE 6 Cb 0.40 -2.44 -0.17 0.00 -0.00 0.00 0.00 39.48 37.27 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 -0.61 1.22 -0.19 -5.13 2.19 -0.36 -0.70 117.98 114.40 1sw3 s PHE 7 Ca 0.61 -0.54 0.01 0.00 0.33 0.00 0.00 56.93 57.34 1sw3 s PHE 7 Cb -0.60 -1.07 0.03 0.00 -1.31 0.00 0.00 43.02 40.08 1sw3 s PHE 7 CO 0.56 -0.42 -0.15 0.08 1.83 0.00 0.00 175.22 177.12 1sw3 s VAL 8 N 1.63 1.86 -0.05 3.12 1.01 0.18 -0.97 120.40 127.17 1sw3 s VAL 8 Ca 0.02 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 1sw3 s VAL 8 Cb -0.13 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1sw3 s VAL 8 CO -0.06 0.35 0.01 -0.83 0.00 0.00 0.00 175.10 174.57 1sw3 s GLY 9 N 1.34 1.87 -0.16 4.51 0.00 0.15 -1.80 107.32 113.22 1sw3 s GLY 9 Ca 0.02 -0.87 -0.03 0.00 0.00 0.00 0.00 44.72 43.84 1sw3 s GLY 9 CO -0.10 -0.68 -0.07 -0.32 0.00 0.00 0.00 173.10 171.93 1sw3 s GLY 10 N -1.21 1.63 -0.41 0.20 0.00 0.39 -0.76 107.32 107.17 1sw3 s GLY 10 Ca 0.16 -0.93 -0.06 0.00 0.00 0.00 0.00 44.72 43.89 1sw3 s GLY 10 CO 0.06 0.02 0.22 0.21 0.00 0.00 0.00 173.10 173.61 1sw3 s ASN 11 N 0.64 5.43 0.14 1.64 2.47 0.30 0.91 114.94 126.47 1sw3 s ASN 11 Ca -0.04 -1.71 0.20 0.00 0.42 0.00 0.00 52.86 51.73 1sw3 s ASN 11 Cb -0.15 -1.90 0.84 0.00 -1.45 0.00 0.00 41.25 38.59 1sw3 s ASN 11 CO 0.03 -0.53 1.63 0.79 -3.72 0.00 0.00 177.10 175.29 1sw3 n TRP 12 N 4.77 0.47 -3.57 0.43 8.01 -0.66 -4.39 117.44 122.50 1sw3 n TRP 12 Ca -0.07 0.18 0.00 0.00 -1.31 0.00 0.00 57.50 56.29 1sw3 n TRP 12 Cb 0.42 -0.79 0.00 0.00 -2.01 0.00 0.00 31.31 28.93 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 -1.92 0.00 -3.07 -0.99 5.02 -1.26 -3.31 118.16 112.63 1sw3 n LYS 13 Ca 0.03 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.88 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 10.16 4.13 -3.85 1.97 0.00 -1.26 -4.33 117.12 123.95 1sw3 n MET 14 Ca 0.00 -4.46 -0.12 0.00 -0.00 0.00 0.00 57.70 53.12 1sw3 n MET 14 Cb 0.00 -2.56 -0.11 0.00 0.00 0.00 0.00 33.22 30.55 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 -0.61 -0.07 0.00 6.12 0.01 -1.21 -5.14 114.94 114.04 1sw3 s ASN 15 Ca 0.32 0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.53 1sw3 s ASN 15 Cb 0.00 0.26 0.00 0.00 0.41 0.00 0.00 41.25 41.93 1sw3 s ASN 15 CO 0.04 -0.21 0.00 0.61 -1.51 0.00 0.00 177.10 176.04 1sw3 n GLY 16 N 2.25 2.49 3.33 0.66 0.00 -1.26 -4.82 105.19 107.85 1sw3 n GLY 16 Ca -0.17 -1.99 -0.18 0.00 0.00 0.00 0.00 46.02 43.67 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 1.48 0.30 1.61 1.47 -1.26 -4.98 116.67 115.29 1sw3 s ASP 17 Ca 0.00 -1.69 0.00 0.00 1.18 0.00 0.00 52.55 52.04 1sw3 s ASP 17 Cb 0.00 0.58 0.51 0.00 -0.34 0.00 0.00 42.92 43.67 1sw3 s ASP 17 CO 0.00 -1.12 1.92 0.11 0.68 0.00 0.00 175.17 176.76 1sw3 h LYS 18 N 2.14 1.02 0.26 2.11 1.57 -1.99 0.45 116.57 122.13 1sw3 h LYS 18 Ca -0.26 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 1sw3 h LYS 18 Cb 1.23 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1sw3 h LYS 18 CO 0.37 0.68 -0.13 -0.22 -0.57 0.00 0.00 179.45 179.58 1sw3 h LYS 19 N 1.05 -0.34 -0.13 3.15 3.64 -1.99 -0.96 116.57 120.99 1sw3 h LYS 19 Ca 0.37 0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.62 1sw3 h LYS 19 Cb 0.12 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1sw3 h LYS 19 CO -0.13 -0.04 -0.57 0.66 -2.27 0.00 0.00 179.45 177.10 1sw3 h SER 20 N -0.66 0.47 0.19 4.20 4.64 -1.90 -2.50 113.55 117.99 1sw3 h SER 20 Ca -0.04 -0.26 -0.19 0.00 -0.47 0.00 0.00 61.79 60.83 1sw3 h SER 20 Cb 0.46 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1sw3 h SER 20 CO 0.06 0.94 -0.75 -0.07 -0.87 0.00 0.00 176.83 176.14 1sw3 h LEU 21 N 0.32 0.57 -0.90 5.97 4.07 -0.98 -2.66 115.31 121.71 1sw3 h LEU 21 Ca 0.00 -0.38 0.08 0.00 0.08 0.00 0.00 57.88 57.67 1sw3 h LEU 21 Cb 1.10 -0.17 -0.07 0.00 1.08 0.00 0.00 40.66 42.60 1sw3 h LEU 21 CO 0.10 1.13 0.55 1.23 -1.08 0.00 0.00 178.44 180.37 1sw3 h GLY 22 N 1.15 1.39 0.85 0.83 0.00 -0.97 -0.35 103.07 105.97 1sw3 h GLY 22 Ca -0.04 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1sw3 h GLY 22 CO 0.13 0.22 -0.03 0.83 0.00 0.00 0.00 176.54 177.69 1sw3 h GLU 23 N 0.95 0.48 -0.39 4.80 5.08 -1.32 -0.60 114.58 123.58 1sw3 h GLU 23 Ca 0.41 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1sw3 h GLU 23 Cb 0.28 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1sw3 h GLU 23 CO -0.21 0.67 0.19 1.25 -1.00 0.00 0.00 179.01 179.91 1sw3 h LEU 24 N 0.24 0.28 -0.60 1.33 6.46 -1.20 -1.66 115.31 120.16 1sw3 h LEU 24 Ca 0.07 0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.80 1sw3 h LEU 24 Cb 0.48 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.35 1sw3 h LEU 24 CO 0.02 0.20 0.19 0.40 -0.62 0.00 0.00 178.44 178.64 1sw3 h ILE 25 N 0.39 1.24 -0.77 4.05 2.04 -0.96 -1.04 117.51 122.47 1sw3 h ILE 25 Ca 0.16 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.24 1sw3 h ILE 25 Cb 0.07 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 1sw3 h ILE 25 CO -0.12 0.31 0.49 -0.74 0.00 0.00 0.00 178.15 178.09 1sw3 h HIS 26 N 0.85 0.92 -0.16 1.37 2.76 -0.74 -0.29 115.15 119.85 1sw3 h HIS 26 Ca 0.19 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 1sw3 h HIS 26 Cb 0.28 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1sw3 h HIS 26 CO 0.02 0.53 0.05 1.15 -1.30 0.00 0.00 177.93 178.38 1sw3 h THR 27 N 0.96 1.17 -0.82 6.26 2.02 -0.97 -2.72 112.91 118.81 1sw3 h THR 27 Ca 0.31 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 1sw3 h THR 27 Cb 0.01 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 1sw3 h THR 27 CO -0.11 0.16 0.37 -0.07 0.37 0.00 0.00 175.52 176.24 1sw3 h LEU 28 N 0.08 1.10 -1.65 2.58 3.38 -0.61 -2.00 115.31 118.19 1sw3 h LEU 28 Ca 0.05 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1sw3 h LEU 28 Cb 0.21 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1sw3 h LEU 28 CO -0.00 0.95 -0.20 0.78 0.09 0.00 0.00 178.44 180.06 1sw3 h ASN 29 N 1.18 0.00 0.02 -0.43 2.35 -0.96 -2.79 115.58 114.95 1sw3 h ASN 29 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1sw3 h ASN 29 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1sw3 h ASN 29 CO -0.03 0.20 -0.32 0.61 -1.65 0.00 0.00 177.43 176.24 1sw3 n GLY 30 N -0.64 0.16 3.82 2.83 0.00 -1.03 -4.98 105.19 105.34 1sw3 n GLY 30 Ca -0.02 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.35 2.97 -1.27 4.61 0.00 -0.78 -4.97 121.76 119.97 1sw3 s ALA 31 Ca 0.22 0.34 -0.19 0.00 0.00 0.00 0.00 51.96 52.33 1sw3 s ALA 31 Cb 0.19 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 20.17 1sw3 s ALA 31 CO 0.49 -0.26 1.83 1.63 0.00 0.00 0.00 175.76 179.45 1sw3 n LYS 32 N -1.34 2.76 -3.69 0.00 4.01 -1.26 -4.98 118.16 113.65 1sw3 n LYS 32 Ca 0.07 -3.00 -0.35 0.00 -0.51 0.00 0.00 58.31 54.52 1sw3 n LYS 32 Cb 0.54 -3.52 -0.08 0.00 -0.51 0.00 0.00 35.03 31.46 1sw3 n LYS 32 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1sw3 s LEU 33 N 5.51 4.23 0.17 -0.35 1.43 -1.26 -4.97 118.68 123.43 1sw3 s LEU 33 Ca 0.57 0.31 -0.34 0.00 -1.03 0.00 0.00 54.13 53.64 1sw3 s LEU 33 Cb 0.04 -2.16 -0.14 0.00 0.03 0.00 0.00 46.19 43.96 1sw3 s LEU 33 CO 0.08 0.17 1.46 -0.24 0.23 0.00 0.00 176.35 178.05 1sw3 n SER 34 N 3.47 2.60 0.27 2.29 2.88 -1.26 -4.88 113.62 118.98 1sw3 n SER 34 Ca -0.15 1.11 0.13 0.00 -1.33 0.00 0.00 58.87 58.63 1sw3 n SER 34 Cb 0.52 -1.37 0.75 0.00 -0.75 0.00 0.00 64.21 63.36 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 5.03 1.29 -0.05 -1.46 0.00 -1.99 -2.94 119.26 119.15 1sw3 h ALA 35 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1sw3 h ALA 35 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1sw3 h ALA 35 CO 0.82 0.13 0.00 -0.25 0.00 0.00 0.00 179.25 179.95 1sw3 n ASP 36 N -3.63 0.85 -4.51 0.00 10.43 -1.26 -4.82 116.55 113.61 1sw3 n ASP 36 Ca -0.02 -1.41 -0.34 0.00 2.57 0.00 0.00 54.79 55.59 1sw3 n ASP 36 Cb 0.23 -0.03 -0.12 0.00 1.84 0.00 0.00 41.12 43.04 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 -1.95 4.04 -0.18 -3.53 2.01 -1.11 -3.71 115.64 111.20 1sw3 s THR 37 Ca 0.37 -0.30 -0.22 0.00 0.31 0.00 0.00 61.69 61.84 1sw3 s THR 37 Cb 0.19 -2.78 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 1sw3 s THR 37 CO 0.30 0.48 0.69 -0.70 -0.69 0.00 0.00 174.62 174.70 1sw3 s GLU 38 N 0.46 4.25 -0.07 4.92 2.12 0.13 -4.95 118.70 125.55 1sw3 s GLU 38 Ca -0.02 0.75 0.05 0.00 0.36 0.00 0.00 54.97 56.10 1sw3 s GLU 38 Cb -0.14 -3.57 -0.01 0.00 0.26 0.00 0.00 34.13 30.67 1sw3 s GLU 38 CO 0.02 -0.25 -0.21 0.08 -0.54 0.00 0.00 175.26 174.36 1sw3 s VAL 39 N 1.92 2.36 -0.02 3.70 1.01 -1.26 -0.65 120.40 127.47 1sw3 s VAL 39 Ca 0.32 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1sw3 s VAL 39 Cb -0.16 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.34 1sw3 s VAL 39 CO 0.11 0.57 -0.02 -0.69 0.00 0.00 0.00 175.10 175.06 1sw3 s VAL 40 N -0.13 0.29 -0.17 2.92 1.01 -0.75 -1.16 120.40 122.41 1sw3 s VAL 40 Ca -0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1sw3 s VAL 40 Cb -0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 1sw3 s VAL 40 CO 0.04 0.13 -0.05 0.00 0.00 0.00 0.00 175.10 175.22 1sw3 s GLY 42 N 0.71 2.08 0.24 0.00 0.00 0.26 -0.78 107.32 109.84 1sw3 s GLY 42 Ca -0.02 -2.43 -0.02 0.00 0.00 0.00 0.00 44.72 42.25 1sw3 s GLY 42 CO 0.02 1.16 0.46 0.00 0.00 0.00 0.00 173.10 174.74 1sw3 s ALA 43 N 1.61 3.75 0.53 3.20 0.00 -0.95 -1.65 121.76 128.25 1sw3 s ALA 43 Ca 0.03 -0.74 -0.22 0.00 0.00 0.00 0.00 51.96 51.03 1sw3 s ALA 43 Cb -0.28 -2.11 -0.06 0.00 0.00 0.00 0.00 23.12 20.67 1sw3 s ALA 43 CO 0.04 0.34 1.36 -2.30 0.00 0.00 0.00 175.76 175.20 1sw3 n PRO 44 N -0.82 1.76 -0.33 0.00 -0.02 -1.26 -4.17 135.00 130.17 1sw3 n PRO 44 Ca -0.04 0.64 0.09 0.00 -2.02 0.00 0.00 63.50 62.18 1sw3 n PRO 44 Cb 0.54 -2.57 0.30 0.00 -0.02 0.00 0.00 33.50 31.75 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 1.55 0.81 0.56 2.55 4.64 -1.96 -0.73 113.55 120.97 1sw3 h SER 45 Ca -0.51 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1sw3 h SER 45 Cb 1.30 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1sw3 h SER 45 CO 0.57 0.41 0.00 -0.29 -0.87 0.00 0.00 176.83 176.66 1sw3 h ILE 46 N 0.86 0.00 -0.34 0.95 2.10 -2.03 -2.63 117.51 116.42 1sw3 h ILE 46 Ca 0.49 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 66.15 1sw3 h ILE 46 Cb 0.61 1.26 0.00 0.00 -1.09 0.00 0.00 36.82 37.60 1sw3 h ILE 46 CO -0.25 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 175.60 1sw3 n TYR 47 N -3.05 0.45 -0.14 2.19 0.53 -0.31 -4.75 117.16 112.09 1sw3 n TYR 47 Ca -0.01 -0.50 -0.08 0.00 -1.02 0.00 0.00 57.90 56.29 1sw3 n TYR 47 Cb 0.20 -0.03 0.00 0.00 -1.03 0.00 0.00 39.34 38.48 1sw3 n TYR 47 CO 0.00 0.00 0.00 -0.07 -1.02 0.00 0.00 176.86 175.77 1sw3 h LEU 48 N 1.99 0.51 0.44 7.72 3.38 -1.19 -0.72 115.31 127.44 1sw3 h LEU 48 Ca 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1sw3 h LEU 48 Cb 0.73 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1sw3 h LEU 48 CO 0.00 0.42 -0.21 -0.78 0.09 0.00 0.00 178.44 177.96 1sw3 h ASP 49 N 0.55 -0.50 -0.57 -0.43 -0.00 -1.85 -0.63 116.42 112.99 1sw3 h ASP 49 Ca 0.15 0.00 0.11 0.00 -0.00 0.00 0.00 57.03 57.29 1sw3 h ASP 49 Cb 0.01 0.13 -0.09 0.00 -0.00 0.00 0.00 39.33 39.38 1sw3 h ASP 49 CO -0.03 -0.34 0.06 0.15 -0.00 0.00 0.00 179.24 179.08 1sw3 h PHE 50 N -0.62 0.08 -0.57 0.28 3.04 -1.86 -1.19 116.94 116.09 1sw3 h PHE 50 Ca -0.06 0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.85 1sw3 h PHE 50 Cb 0.47 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.01 1sw3 h PHE 50 CO -0.04 -0.09 0.04 0.00 -2.02 0.00 0.00 178.31 176.21 1sw3 h ALA 51 N 1.49 0.76 -0.21 2.41 0.00 -0.97 -1.56 119.26 121.18 1sw3 h ALA 51 Ca 0.30 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1sw3 h ALA 51 Cb 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1sw3 h ALA 51 CO -0.43 0.56 -0.26 -0.09 0.00 0.00 0.00 179.25 179.02 1sw3 h ARG 52 N 0.87 0.40 -0.23 0.00 9.65 -0.70 -0.47 114.38 123.91 1sw3 h ARG 52 Ca 0.17 -0.15 -0.14 0.00 -1.10 0.00 0.00 59.98 58.76 1sw3 h ARG 52 Cb 0.48 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 1sw3 h ARG 52 CO 0.02 0.64 -0.44 1.96 2.80 0.00 0.00 179.97 184.95 1sw3 h GLN 53 N 0.36 0.56 0.00 0.20 4.20 -0.89 -3.33 115.11 116.21 1sw3 h GLN 53 Ca 0.05 -0.30 -0.27 0.00 0.06 0.00 0.00 58.65 58.19 1sw3 h GLN 53 Cb 0.66 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.40 1sw3 h GLN 53 CO 0.05 0.89 -1.81 1.63 -0.67 0.00 0.00 178.83 178.92 1sw3 n LYS 54 N -4.01 0.64 -2.72 1.46 4.76 -0.62 -4.92 118.16 112.76 1sw3 n LYS 54 Ca -0.02 0.19 -0.39 0.00 -2.87 0.00 0.00 58.31 55.22 1sw3 n LYS 54 Cb 0.54 -1.73 -0.06 0.00 -1.84 0.00 0.00 35.03 31.94 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 -5.83 4.53 0.38 -0.35 1.43 -0.21 -4.95 118.68 113.69 1sw3 s LEU 55 Ca -0.06 1.96 -0.26 0.00 -1.03 0.00 0.00 54.13 54.75 1sw3 s LEU 55 Cb 0.08 -3.75 -0.12 0.00 0.03 0.00 0.00 46.19 42.43 1sw3 s LEU 55 CO 0.83 0.03 1.04 -0.67 0.23 0.00 0.00 176.35 177.81 1sw3 n ASP 56 N 1.13 1.46 0.00 2.29 2.03 -1.26 -4.87 116.55 117.33 1sw3 n ASP 56 Ca -0.01 1.09 0.21 0.00 0.52 0.00 0.00 54.79 56.60 1sw3 n ASP 56 Cb 0.48 -1.36 0.70 0.00 -0.72 0.00 0.00 41.12 40.22 1sw3 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sw3 h ALA 57 N 1.77 2.48 0.00 -1.67 0.00 -1.94 -1.34 119.26 118.56 1sw3 h ALA 57 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1sw3 h ALA 57 Cb 1.33 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1sw3 h ALA 57 CO 0.58 -0.67 0.00 0.87 0.00 0.00 0.00 179.25 180.04 1sw3 h LYS 58 N 0.00 0.00 -5.14 0.00 1.57 -1.98 -3.41 116.57 107.61 1sw3 h LYS 58 Ca 0.25 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.42 1sw3 h LYS 58 Cb 1.03 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.20 1sw3 h LYS 58 CO -0.00 0.00 -0.47 0.42 -0.57 0.00 0.00 179.45 178.83 1sw3 s ILE 59 N -3.58 5.34 0.55 1.86 1.01 -0.51 -4.68 121.20 121.19 1sw3 s ILE 59 Ca 0.01 0.24 -0.12 0.00 0.00 0.00 0.00 60.65 60.79 1sw3 s ILE 59 Cb 0.09 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 1sw3 s ILE 59 CO 0.42 0.34 0.96 -0.83 0.00 0.00 0.00 174.94 175.83 1sw3 s GLY 60 N 1.01 1.77 -0.05 6.18 0.00 -0.31 -4.82 107.32 111.10 1sw3 s GLY 60 Ca 0.09 -0.09 0.06 0.00 0.00 0.00 0.00 44.72 44.78 1sw3 s GLY 60 CO 0.04 0.16 -0.24 0.14 0.00 0.00 0.00 173.10 173.20 1sw3 s VAL 61 N -2.89 1.96 0.01 1.40 1.01 -1.26 -1.02 120.40 119.61 1sw3 s VAL 61 Ca 0.55 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 61.58 1sw3 s VAL 61 Cb -0.11 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1sw3 s VAL 61 CO 0.45 0.55 -0.22 0.00 0.00 0.00 0.00 175.10 175.87 1sw3 s ALA 62 N -0.15 1.86 0.61 5.51 0.00 0.04 -1.95 121.76 127.68 1sw3 s ALA 62 Ca -0.03 -1.03 -0.15 0.00 0.00 0.00 0.00 51.96 50.75 1sw3 s ALA 62 Cb -0.13 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 1sw3 s ALA 62 CO 0.03 0.44 1.05 0.00 0.00 0.00 0.00 175.76 177.29 1sw3 s ALA 63 N -0.66 2.76 -1.72 0.00 0.00 -0.31 -2.24 121.76 119.59 1sw3 s ALA 63 Ca 0.09 0.30 0.25 0.00 0.00 0.00 0.00 51.96 52.60 1sw3 s ALA 63 Cb -0.09 -3.21 0.43 0.00 0.00 0.00 0.00 23.12 20.25 1sw3 s ALA 63 CO 0.01 -0.85 1.36 1.04 0.00 0.00 0.00 175.76 177.32 1sw3 n GLN 64 N -2.23 0.82 -3.62 0.00 6.02 -1.26 -0.91 117.38 116.19 1sw3 n GLN 64 Ca 0.08 -0.57 -0.03 0.00 -0.01 0.00 0.00 57.00 56.47 1sw3 n GLN 64 Cb 0.53 -1.49 -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 -2.58 -0.08 0.33 1.08 2.47 -1.23 -4.56 114.94 110.37 1sw3 s ASN 65 Ca 0.20 0.01 -0.10 0.00 0.42 0.00 0.00 52.86 53.40 1sw3 s ASN 65 Cb 0.18 0.08 0.02 0.00 -1.45 0.00 0.00 41.25 40.08 1sw3 s ASN 65 CO 0.58 -0.12 0.59 0.00 -3.72 0.00 0.00 177.10 174.42 1sw3 n TYR 67 N -0.51 -1.26 -0.15 0.00 9.36 0.30 -4.96 117.16 119.94 1sw3 n TYR 67 Ca -0.03 -2.04 0.10 0.00 3.32 0.00 0.00 57.90 59.25 1sw3 n TYR 67 Cb 0.61 -0.44 0.24 0.00 -0.63 0.00 0.00 39.34 39.12 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 -1.83 2.63 -4.16 2.98 2.85 -1.26 -4.53 118.16 114.84 1sw3 n LYS 68 Ca 0.04 -2.36 -0.10 0.00 -1.05 0.00 0.00 58.31 54.84 1sw3 n LYS 68 Cb 0.56 -1.46 -0.10 0.00 -0.65 0.00 0.00 35.03 33.38 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 -1.09 0.45 0.28 0.58 -7.23 -1.26 -4.82 120.40 107.30 1sw3 s VAL 69 Ca 0.39 -1.91 0.11 0.00 -1.81 0.00 0.00 61.98 58.75 1sw3 s VAL 69 Cb 0.21 -1.81 -0.02 0.00 0.56 0.00 0.00 36.38 35.32 1sw3 s VAL 69 CO 0.27 -0.74 1.62 -0.65 -0.31 0.00 0.00 175.10 175.30 1sw3 h PRO 70 N 2.93 0.00 -2.92 4.82 0.11 -1.98 -3.43 132.00 131.52 1sw3 h PRO 70 Ca -0.35 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.80 1sw3 h PRO 70 Cb 1.17 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.20 1sw3 h PRO 70 CO 0.63 0.60 0.25 -1.59 -0.21 0.00 0.00 178.00 177.69 1sw3 s LYS 71 N -3.64 1.49 0.00 1.05 -2.85 -1.26 -4.70 119.74 109.84 1sw3 s LYS 71 Ca -0.01 -0.72 0.00 0.00 -1.00 0.00 0.00 55.97 54.24 1sw3 s LYS 71 Cb 0.13 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.47 1sw3 s LYS 71 CO 0.76 -0.67 0.00 0.41 0.10 0.00 0.00 175.35 175.95 1sw3 n GLY 72 N -0.42 0.50 2.95 0.59 0.00 -1.26 -4.99 105.19 102.56 1sw3 n GLY 72 Ca -0.10 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.72 5.22 -3.30 4.61 0.00 -1.26 -4.72 120.51 120.34 1sw3 n ALA 73 Ca 0.00 -4.48 -0.25 0.00 0.00 0.00 0.00 53.44 48.71 1sw3 n ALA 73 Cb 0.00 -2.77 -0.07 0.00 0.00 0.00 0.00 19.45 16.60 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 3.12 1.51 -1.64 0.00 3.72 -1.26 -5.10 117.46 117.82 1sw3 n PHE 74 Ca 0.35 -3.84 -0.53 0.00 -0.05 0.00 0.00 57.45 53.38 1sw3 n PHE 74 Cb 0.36 -0.45 -0.06 0.00 -0.94 0.00 0.00 39.48 38.39 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 1.15 0.12 0.00 4.37 -1.04 -1.26 -1.57 114.28 116.05 1sw3 n THR 75 Ca 0.25 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1sw3 n THR 75 Cb 0.47 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 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 3.19 0.59 3.95 3.41 0.00 -1.26 -5.07 105.19 109.99 1sw3 n GLY 76 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.90 3.37 0.18 1.61 0.41 -0.61 -5.14 118.70 117.63 1sw3 s GLU 77 Ca 0.00 -0.77 0.09 0.00 -0.41 0.00 0.00 54.97 53.88 1sw3 s GLU 77 Cb 0.00 -2.86 -0.04 0.00 -1.78 0.00 0.00 34.13 29.45 1sw3 s GLU 77 CO 0.00 0.44 -0.18 0.96 -0.49 0.00 0.00 175.26 175.99 1sw3 s ILE 78 N -1.96 1.87 0.28 -1.63 -4.36 -1.26 -5.02 121.20 109.13 1sw3 s ILE 78 Ca 0.34 -2.03 0.10 0.00 -0.26 0.00 0.00 60.65 58.80 1sw3 s ILE 78 Cb -0.09 -1.94 -0.05 0.00 1.25 0.00 0.00 42.46 41.64 1sw3 s ILE 78 CO 0.28 -0.38 -0.04 -0.94 0.24 0.00 0.00 174.94 174.11 1sw3 s SER 79 N -2.88 4.33 0.35 4.36 1.04 -1.26 -0.54 113.70 119.10 1sw3 s SER 79 Ca 0.19 -0.76 0.11 0.00 0.48 0.00 0.00 55.95 55.97 1sw3 s SER 79 Cb -0.05 -0.70 0.89 0.00 0.10 0.00 0.00 66.02 66.26 1sw3 s SER 79 CO 0.07 -0.03 1.80 -0.65 0.98 0.00 0.00 173.24 175.42 1sw3 h PRO 80 N 1.94 0.60 -0.70 4.02 0.11 -1.83 -1.31 132.00 134.83 1sw3 h PRO 80 Ca -0.43 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1sw3 h PRO 80 Cb 1.25 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1sw3 h PRO 80 CO 0.61 0.40 0.38 0.00 -0.21 0.00 0.00 178.00 179.18 1sw3 h ALA 81 N 1.63 1.36 -0.41 -0.75 0.00 -1.92 -0.23 119.26 118.93 1sw3 h ALA 81 Ca 0.54 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.23 1sw3 h ALA 81 Cb 1.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1sw3 h ALA 81 CO -0.30 0.53 -0.18 0.52 0.00 0.00 0.00 179.25 179.82 1sw3 h MET 82 N 0.97 0.85 -0.41 0.00 2.86 -1.57 -1.68 114.93 115.95 1sw3 h MET 82 Ca 0.25 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1sw3 h MET 82 Cb 0.03 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1sw3 h MET 82 CO -0.04 1.00 0.25 0.82 1.06 0.00 0.00 176.91 180.00 1sw3 h ILE 83 N 0.66 1.13 -0.87 -1.22 2.04 -0.99 -2.10 117.51 116.17 1sw3 h ILE 83 Ca 0.09 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1sw3 h ILE 83 Cb 0.74 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1sw3 h ILE 83 CO 0.06 0.13 0.46 0.50 0.00 0.00 0.00 178.15 179.29 1sw3 h LYS 84 N 0.55 1.22 -0.78 2.37 3.64 -1.04 -2.49 116.57 120.03 1sw3 h LYS 84 Ca 0.15 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1sw3 h LYS 84 Cb -0.01 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.53 1sw3 h LYS 84 CO -0.03 0.90 0.52 0.22 -2.27 0.00 0.00 179.45 178.79 1sw3 h ASP 85 N 1.22 0.84 0.07 4.20 3.58 -0.61 -0.68 116.42 125.04 1sw3 h ASP 85 Ca 0.30 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.74 1sw3 h ASP 85 Cb 0.05 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.90 1sw3 h ASP 85 CO -0.05 0.59 -0.08 2.30 -2.88 0.00 0.00 179.24 179.12 1sw3 n ILE 86 N -4.44 0.00 -0.30 2.25 -6.64 -1.05 -4.94 119.36 104.22 1sw3 n ILE 86 Ca 0.10 -0.20 0.00 0.00 -1.77 0.00 0.00 62.75 60.88 1sw3 n ILE 86 Cb 0.10 0.43 0.00 0.00 -1.44 0.00 0.00 39.64 38.72 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 1.22 0.84 3.79 3.28 0.00 -0.26 -4.84 105.19 109.22 1sw3 n GLY 87 Ca 0.17 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 3.15 -0.49 4.61 0.00 -0.96 -4.84 121.76 121.23 1sw3 s ALA 88 Ca 0.00 0.53 0.05 0.00 0.00 0.00 0.00 51.96 52.53 1sw3 s ALA 88 Cb 0.00 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.94 1sw3 s ALA 88 CO 0.00 0.09 0.51 0.00 0.00 0.00 0.00 175.76 176.37 1sw3 n ALA 89 N 0.16 2.51 -2.57 0.00 0.00 -0.82 -4.16 120.51 115.63 1sw3 n ALA 89 Ca 0.04 -0.41 -0.11 0.00 0.00 0.00 0.00 53.44 52.95 1sw3 n ALA 89 Cb 0.51 -0.16 -0.11 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.70 0.68 0.02 0.00 0.52 -1.10 -0.69 118.94 117.67 1sw3 s TRP 90 Ca 0.04 -0.70 0.02 0.00 0.02 0.00 0.00 56.10 55.49 1sw3 s TRP 90 Cb 0.04 -0.41 -0.01 0.00 -1.15 0.00 0.00 33.47 31.93 1sw3 s TRP 90 CO 0.09 -0.15 -0.08 0.54 0.02 0.00 0.00 176.95 177.38 1sw3 s VAL 91 N -2.39 0.56 -0.21 4.03 0.11 -0.45 -1.16 120.40 120.90 1sw3 s VAL 91 Ca -0.02 -0.66 -0.16 0.00 -2.93 0.00 0.00 61.98 58.21 1sw3 s VAL 91 Cb -0.03 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 1sw3 s VAL 91 CO -0.03 -0.09 0.39 -0.63 -3.33 0.00 0.00 175.10 171.42 1sw3 s ILE 92 N -0.71 5.20 0.03 7.04 1.01 -0.09 -1.29 121.20 132.39 1sw3 s ILE 92 Ca -0.03 0.69 0.07 0.00 0.00 0.00 0.00 60.65 61.38 1sw3 s ILE 92 Cb -0.06 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 1sw3 s ILE 92 CO 0.00 0.25 -0.19 -0.76 0.00 0.00 0.00 174.94 174.24 1sw3 s LEU 93 N 1.36 2.14 -0.47 2.97 1.43 -0.49 -3.54 118.68 122.08 1sw3 s LEU 93 Ca 0.19 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1sw3 s LEU 93 Cb -0.15 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.17 1sw3 s LEU 93 CO 0.08 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.42 1sw3 n GLY 94 N 2.01 0.69 3.70 -3.19 0.00 -1.26 -1.45 105.19 105.69 1sw3 n GLY 94 Ca -0.17 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.94 1.92 -0.31 1.61 -0.00 -1.26 -4.41 115.22 109.83 1sw3 n HIS 95 Ca -0.04 0.46 0.16 0.00 0.46 0.00 0.00 57.72 58.75 1sw3 n HIS 95 Cb 0.17 -2.32 0.34 0.00 -0.12 0.00 0.00 29.99 28.06 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 1.46 0.24 -0.35 0.26 0.87 -1.93 0.43 113.55 114.53 1sw3 h SER 96 Ca -0.49 0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.19 1sw3 h SER 96 Cb 1.31 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 63.44 1sw3 h SER 96 CO 0.57 -0.10 0.04 -0.33 -0.53 0.00 0.00 176.83 176.48 1sw3 h GLU 97 N 0.31 0.68 -0.22 2.24 5.08 -1.97 0.05 114.58 120.74 1sw3 h GLU 97 Ca 0.60 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.63 1sw3 h GLU 97 Cb 1.24 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1sw3 h GLU 97 CO -0.60 0.67 -0.56 0.00 -1.00 0.00 0.00 179.01 177.52 1sw3 h ARG 98 N 0.65 0.69 -0.15 2.33 2.47 -1.29 -0.40 114.38 118.68 1sw3 h ARG 98 Ca 0.14 -0.45 -0.03 0.00 -1.26 0.00 0.00 59.98 58.38 1sw3 h ARG 98 Cb 0.35 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 1sw3 h ARG 98 CO 0.01 1.07 -0.02 0.00 0.56 0.00 0.00 179.97 181.58 1sw3 h ARG 99 N 0.53 0.29 0.00 0.04 3.08 -0.91 -1.44 114.38 115.96 1sw3 h ARG 99 Ca 0.01 -0.10 -0.31 0.00 0.07 0.00 0.00 59.98 59.64 1sw3 h ARG 99 Cb 1.14 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 31.11 1sw3 h ARG 99 CO 0.11 0.55 -2.25 0.72 -1.07 0.00 0.00 179.97 178.03 1sw3 n HIS 100 N -4.71 0.00 -0.00 3.04 8.25 -0.03 -2.59 115.22 119.18 1sw3 n HIS 100 Ca -0.05 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.19 1sw3 n HIS 100 Cb 0.24 -0.88 -0.14 0.00 1.12 0.00 0.00 29.99 30.33 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 0.82 -0.14 1.59 2.07 -1.24 -3.40 116.25 115.95 1sw3 h VAL 101 Ca -0.47 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 64.71 1sw3 h VAL 101 Cb 2.05 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 34.37 1sw3 h VAL 101 CO 0.03 0.75 0.00 0.49 0.02 0.00 0.00 177.57 178.85 1sw3 n PHE 102 N -3.78 0.17 -1.69 1.57 3.72 -1.09 -5.00 117.46 111.36 1sw3 n PHE 102 Ca -0.29 -0.11 -0.09 0.00 -0.05 0.00 0.00 57.45 56.91 1sw3 n PHE 102 Cb 0.95 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.47 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 1.03 0.56 3.69 1.37 0.00 -0.81 -4.95 105.19 106.08 1sw3 n GLY 103 Ca 0.12 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.55 4.32 0.46 1.61 2.02 -0.61 -4.98 118.70 117.98 1sw3 s GLU 104 Ca 0.00 1.86 -0.03 0.00 0.02 0.00 0.00 54.97 56.82 1sw3 s GLU 104 Cb 0.00 -3.52 -0.02 0.00 0.10 0.00 0.00 34.13 30.69 1sw3 s GLU 104 CO 0.00 -0.49 0.72 -1.54 0.02 0.00 0.00 175.26 173.97 1sw3 s SER 105 N 1.62 6.06 0.35 -0.19 1.04 -1.26 -4.43 113.70 116.89 1sw3 s SER 105 Ca 0.61 0.62 0.07 0.00 0.48 0.00 0.00 55.95 57.74 1sw3 s SER 105 Cb -0.29 -1.94 0.77 0.00 0.10 0.00 0.00 66.02 64.66 1sw3 s SER 105 CO 0.26 -0.62 1.90 0.44 0.98 0.00 0.00 173.24 176.19 1sw3 h ASP 106 N 0.33 0.68 -0.27 7.02 3.32 -1.99 -1.78 116.42 123.73 1sw3 h ASP 106 Ca -0.47 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 1sw3 h ASP 106 Cb 1.23 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1sw3 h ASP 106 CO 0.60 0.38 0.11 -0.08 -1.72 0.00 0.00 179.24 178.53 1sw3 h GLU 107 N 0.74 0.40 -0.59 3.56 4.81 -1.94 -1.19 114.58 120.36 1sw3 h GLU 107 Ca 0.41 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.52 1sw3 h GLU 107 Cb 0.55 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1sw3 h GLU 107 CO -0.17 0.43 0.22 1.25 -0.73 0.00 0.00 179.01 180.01 1sw3 h LEU 108 N 0.29 0.83 -0.57 1.64 5.85 -1.81 -2.52 115.31 119.02 1sw3 h LEU 108 Ca 0.09 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 1sw3 h LEU 108 Cb 0.18 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1sw3 h LEU 108 CO -0.01 0.79 0.13 0.40 -0.34 0.00 0.00 178.44 179.41 1sw3 h ILE 109 N 0.83 1.25 -0.77 4.05 2.04 -1.15 -1.24 117.51 122.53 1sw3 h ILE 109 Ca 0.20 -0.91 0.05 0.00 1.00 0.00 0.00 64.86 65.20 1sw3 h ILE 109 Cb 0.23 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 1sw3 h ILE 109 CO -0.01 0.34 0.46 1.23 0.00 0.00 0.00 178.15 180.17 1sw3 h GLY 110 N 0.83 1.14 1.09 5.37 0.00 -1.08 0.06 103.07 110.48 1sw3 h GLY 110 Ca 0.18 -0.33 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 1sw3 h GLY 110 CO 0.00 0.23 -0.01 1.46 0.00 0.00 0.00 176.54 178.23 1sw3 h GLN 111 N 0.86 1.08 -0.30 4.80 4.20 -1.02 -1.64 115.11 123.09 1sw3 h GLN 111 Ca 0.33 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1sw3 h GLN 111 Cb 0.15 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1sw3 h GLN 111 CO -0.16 1.06 0.14 0.87 -0.67 0.00 0.00 178.83 180.06 1sw3 h LYS 112 N 0.98 0.44 -0.35 1.46 1.57 -0.71 -1.62 116.57 118.33 1sw3 h LYS 112 Ca 0.17 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1sw3 h LYS 112 Cb 0.57 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 1sw3 h LYS 112 CO 0.03 0.42 0.06 0.28 -0.57 0.00 0.00 179.45 179.67 1sw3 h VAL 113 N 0.35 0.81 -0.62 0.50 2.07 -0.82 0.15 116.25 118.69 1sw3 h VAL 113 Ca 0.10 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1sw3 h VAL 113 Cb 0.13 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1sw3 h VAL 113 CO -0.01 0.03 0.26 0.00 0.02 0.00 0.00 177.57 177.88 1sw3 h ALA 114 N 1.27 0.81 -0.26 1.67 0.00 -1.12 -1.77 119.26 119.87 1sw3 h ALA 114 Ca 0.17 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1sw3 h ALA 114 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1sw3 h ALA 114 CO -0.23 0.41 -0.02 1.25 0.00 0.00 0.00 179.25 180.66 1sw3 h HIS 115 N 0.87 0.52 -0.57 0.00 6.17 -0.94 -1.73 115.15 119.46 1sw3 h HIS 115 Ca 0.21 -0.10 0.03 0.00 0.71 0.00 0.00 60.37 61.22 1sw3 h HIS 115 Cb 0.18 -0.13 -0.04 0.00 2.52 0.00 0.00 27.41 29.94 1sw3 h HIS 115 CO 0.01 0.65 0.34 0.00 0.71 0.00 0.00 177.93 179.63 1sw3 h ALA 116 N 0.80 0.74 -0.46 5.26 0.00 -0.55 -2.06 119.26 122.99 1sw3 h ALA 116 Ca 0.07 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1sw3 h ALA 116 Cb 0.46 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1sw3 h ALA 116 CO 0.02 0.05 -0.08 -0.07 0.00 0.00 0.00 179.25 179.16 1sw3 h LEU 117 N 0.66 0.81 -1.40 0.00 3.38 -1.25 -1.82 115.31 115.68 1sw3 h LEU 117 Ca 0.23 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1sw3 h LEU 117 Cb 0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1sw3 h LEU 117 CO -0.11 0.92 -0.15 0.00 0.09 0.00 0.00 178.44 179.19 1sw3 h ALA 118 N 1.16 1.51 -0.00 1.53 0.00 -0.89 -1.59 119.26 120.97 1sw3 h ALA 118 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1sw3 h ALA 118 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1sw3 h ALA 118 CO 0.03 0.35 -0.07 0.39 0.00 0.00 0.00 179.25 179.96 1sw3 n GLU 119 N -4.27 0.76 -0.37 0.00 -0.58 -0.81 -4.93 120.64 110.45 1sw3 n GLU 119 Ca -0.01 -0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 1sw3 n GLU 119 Cb 0.27 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 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 1.23 0.80 3.88 0.62 0.00 -0.60 -4.97 105.19 106.15 1sw3 n GLY 120 Ca 0.16 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 3.87 0.42 0.99 1.43 -0.71 -5.01 118.68 119.67 1sw3 s LEU 121 Ca 0.00 1.01 -0.16 0.00 -1.03 0.00 0.00 54.13 53.96 1sw3 s LEU 121 Cb 0.00 -3.89 -0.09 0.00 0.03 0.00 0.00 46.19 42.25 1sw3 s LEU 121 CO 0.00 -0.37 0.87 -0.83 0.23 0.00 0.00 176.35 176.25 1sw3 s GLY 122 N -3.24 2.19 -0.05 -3.19 0.00 0.13 -4.26 107.32 98.91 1sw3 s GLY 122 Ca 0.49 0.12 0.04 0.00 0.00 0.00 0.00 44.72 45.37 1sw3 s GLY 122 CO 0.32 0.36 -0.18 0.14 0.00 0.00 0.00 173.10 173.74 1sw3 s VAL 123 N -2.30 1.49 -0.43 1.40 1.01 -0.33 -1.34 120.40 119.91 1sw3 s VAL 123 Ca 0.57 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 1sw3 s VAL 123 Cb -0.10 -1.28 0.08 0.00 0.00 0.00 0.00 36.38 35.08 1sw3 s VAL 123 CO 0.23 0.43 0.27 -0.63 0.00 0.00 0.00 175.10 175.40 1sw3 s ILE 124 N 0.10 4.24 -0.23 2.22 1.01 -0.41 -1.03 121.20 127.10 1sw3 s ILE 124 Ca -0.06 -1.44 -0.10 0.00 0.00 0.00 0.00 60.65 59.05 1sw3 s ILE 124 Cb -0.12 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 1sw3 s ILE 124 CO 0.03 -0.54 0.15 0.00 0.00 0.00 0.00 174.94 174.57 1sw3 s ALA 125 N 1.42 3.64 -0.12 9.38 0.00 -0.07 -1.39 121.76 134.62 1sw3 s ALA 125 Ca 0.03 -0.82 -0.05 0.00 0.00 0.00 0.00 51.96 51.12 1sw3 s ALA 125 Cb -0.23 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 1sw3 s ALA 125 CO 0.02 -0.08 0.07 0.00 0.00 0.00 0.00 175.76 175.77 1sw3 s ILE 127 N -0.70 0.43 0.00 0.00 -4.36 -0.26 -4.65 121.20 111.66 1sw3 s ILE 127 Ca 0.12 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 1sw3 s ILE 127 Cb -0.12 -1.76 0.00 0.00 1.25 0.00 0.00 42.46 41.83 1sw3 s ILE 127 CO 0.02 -0.78 0.00 0.61 0.24 0.00 0.00 174.94 175.03 1sw3 n GLY 128 N -0.03 2.86 3.95 6.27 0.00 -1.26 -0.77 105.19 116.20 1sw3 n GLY 128 Ca -0.11 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 3.41 0.61 1.61 1.03 -1.26 -4.72 118.70 117.37 1sw3 s GLU 129 Ca 0.00 -0.69 -0.06 0.00 0.03 0.00 0.00 54.97 54.25 1sw3 s GLU 129 Cb 0.00 -2.91 0.02 0.00 -0.80 0.00 0.00 34.13 30.44 1sw3 s GLU 129 CO 0.00 0.48 0.92 0.15 -1.33 0.00 0.00 175.26 175.47 1sw3 s LYS 130 N -3.57 2.81 0.12 -4.83 1.02 -1.26 -0.98 119.74 113.05 1sw3 s LYS 130 Ca 0.34 -0.06 -0.21 0.00 0.02 0.00 0.00 55.97 56.06 1sw3 s LYS 130 Cb -0.10 -2.26 -0.07 0.00 -0.52 0.00 0.00 37.83 34.88 1sw3 s LYS 130 CO 0.28 -0.78 1.71 1.25 -0.92 0.00 0.00 175.35 176.89 1sw3 h LEU 131 N -0.23 -0.18 -1.76 3.17 5.85 -1.98 -1.44 115.31 118.75 1sw3 h LEU 131 Ca -0.45 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 1sw3 h LEU 131 Cb 1.27 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 1sw3 h LEU 131 CO 0.60 -0.07 -0.02 -2.24 -0.34 0.00 0.00 178.44 176.37 1sw3 h ASP 132 N -0.04 0.11 -0.22 1.25 2.03 -1.99 -0.94 116.42 116.63 1sw3 h ASP 132 Ca 0.06 -0.01 -0.05 0.00 -0.73 0.00 0.00 57.03 56.30 1sw3 h ASP 132 Cb 0.14 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 38.60 1sw3 h ASP 132 CO -0.14 0.16 -0.06 -0.33 -1.03 0.00 0.00 179.24 177.83 1sw3 h GLU 133 N 0.13 0.43 -0.44 4.15 5.08 -1.79 -2.33 114.58 119.80 1sw3 h GLU 133 Ca 0.03 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1sw3 h GLU 133 Cb 0.12 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1sw3 h GLU 133 CO 0.00 0.68 0.28 -0.09 -1.00 0.00 0.00 179.01 178.88 1sw3 h ARG 134 N 0.15 0.56 0.00 2.33 9.65 -0.58 -2.15 114.38 124.33 1sw3 h ARG 134 Ca 0.05 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 1sw3 h ARG 134 Cb 0.53 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 1sw3 h ARG 134 CO 0.02 0.37 -0.17 0.93 2.80 0.00 0.00 179.97 183.92 1sw3 h GLU 135 N 0.57 0.00 -0.01 0.20 5.08 -1.22 -2.18 114.58 117.03 1sw3 h GLU 135 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1sw3 h GLU 135 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1sw3 h GLU 135 CO -0.05 0.17 -0.11 0.00 -1.00 0.00 0.00 179.01 178.02 1sw3 n ALA 136 N -2.20 2.79 -0.64 3.43 0.00 -0.88 -4.93 120.51 118.07 1sw3 n ALA 136 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1sw3 n ALA 136 Cb 0.40 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.26 0.62 0.57 0.00 0.00 -0.82 -4.96 105.19 101.86 1sw3 n GLY 137 Ca 0.15 -0.58 0.06 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.64 2.18 -0.16 -0.61 -5.35 -0.84 -4.70 119.36 107.24 1sw3 n ILE 138 Ca 0.00 -2.53 -0.05 0.00 -0.27 0.00 0.00 62.75 59.90 1sw3 n ILE 138 Cb 0.00 -0.26 0.01 0.00 -1.74 0.00 0.00 39.64 37.65 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 0.79 0.27 -0.04 7.28 2.02 -1.84 -1.87 112.91 119.52 1sw3 h THR 139 Ca 0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.25 1sw3 h THR 139 Cb 1.22 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1sw3 h THR 139 CO 0.12 0.00 -0.17 -0.33 0.37 0.00 0.00 175.52 175.51 1sw3 h GLU 140 N -0.17 -0.25 -0.24 6.66 5.08 -1.96 -1.53 114.58 122.18 1sw3 h GLU 140 Ca 0.22 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.65 1sw3 h GLU 140 Cb 0.51 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 1sw3 h GLU 140 CO -0.58 -0.17 -0.11 -0.22 -1.00 0.00 0.00 179.01 176.93 1sw3 h LYS 141 N -0.26 -0.08 -0.01 2.33 3.64 -1.85 -1.16 116.57 119.18 1sw3 h LYS 141 Ca 0.07 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1sw3 h LYS 141 Cb 0.36 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1sw3 h LYS 141 CO -0.19 -0.05 0.01 0.28 -2.27 0.00 0.00 179.45 177.22 1sw3 h VAL 142 N -0.08 1.06 -0.04 2.00 2.07 -1.04 -1.83 116.25 118.39 1sw3 h VAL 142 Ca 0.13 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 67.34 1sw3 h VAL 142 Cb 0.27 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1sw3 h VAL 142 CO -0.29 0.05 -0.51 -0.37 0.02 0.00 0.00 177.57 176.47 1sw3 h VAL 143 N -0.06 1.36 -0.49 2.57 -1.51 -1.19 -2.01 116.25 114.93 1sw3 h VAL 143 Ca 0.00 -1.76 -0.12 0.00 -1.23 0.00 0.00 66.70 63.60 1sw3 h VAL 143 Cb 0.08 1.90 -0.01 0.00 -2.13 0.00 0.00 31.29 31.12 1sw3 h VAL 143 CO -0.00 0.51 -0.15 -0.26 -1.23 0.00 0.00 177.57 176.44 1sw3 h PHE 144 N 0.09 1.09 -0.61 5.19 0.05 -1.14 -0.17 116.94 121.44 1sw3 h PHE 144 Ca 0.00 -0.25 -0.04 0.00 3.82 0.00 0.00 57.97 61.50 1sw3 h PHE 144 Cb 0.93 -0.26 -0.03 0.00 2.00 0.00 0.00 35.95 38.60 1sw3 h PHE 144 CO 0.01 1.05 0.23 1.49 -0.18 0.00 0.00 178.31 180.90 1sw3 h GLU 145 N 0.81 0.93 -0.32 1.51 4.81 -1.16 -0.21 114.58 120.96 1sw3 h GLU 145 Ca 0.12 -0.18 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 1sw3 h GLU 145 Cb 0.72 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1sw3 h GLU 145 CO 0.06 0.80 -0.41 1.96 -0.73 0.00 0.00 179.01 180.69 1sw3 h GLN 146 N 0.86 0.78 -0.38 1.92 4.20 -1.31 -2.76 115.11 118.42 1sw3 h GLN 146 Ca 0.20 -0.41 -0.14 0.00 0.06 0.00 0.00 58.65 58.36 1sw3 h GLN 146 Cb 0.24 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1sw3 h GLN 146 CO -0.01 1.04 -0.30 1.15 -0.67 0.00 0.00 178.83 180.04 1sw3 h THR 147 N 0.63 1.28 -0.75 -0.54 2.02 -0.87 -3.04 112.91 111.63 1sw3 h THR 147 Ca 0.05 -1.45 -0.05 0.00 0.77 0.00 0.00 66.41 65.73 1sw3 h THR 147 Cb 0.97 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 1sw3 h THR 147 CO 0.09 0.48 0.27 0.50 0.37 0.00 0.00 175.52 177.24 1sw3 h LYS 148 N 0.71 1.14 -0.42 6.66 3.64 -0.92 0.44 116.57 127.82 1sw3 h LYS 148 Ca 0.08 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1sw3 h LYS 148 Cb 0.85 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1sw3 h LYS 148 CO 0.07 0.94 0.27 0.00 -2.27 0.00 0.00 179.45 178.47 1sw3 h ALA 149 N 1.19 1.69 0.04 5.00 0.00 -1.38 -0.96 119.26 124.84 1sw3 h ALA 149 Ca 0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1sw3 h ALA 149 Cb 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1sw3 h ALA 149 CO -0.02 0.28 -0.02 0.82 0.00 0.00 0.00 179.25 180.32 1sw3 h ILE 150 N 0.57 1.26 -0.47 0.00 2.04 -1.36 -3.37 117.51 116.18 1sw3 h ILE 150 Ca 0.15 -1.67 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1sw3 h ILE 150 Cb -0.06 2.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1sw3 h ILE 150 CO -0.03 0.38 0.31 0.00 0.00 0.00 0.00 178.15 178.81 1sw3 h ALA 151 N -0.12 1.65 0.00 1.87 0.00 -0.64 0.55 119.26 122.56 1sw3 h ALA 151 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sw3 h ALA 151 Cb 0.67 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1sw3 h ALA 151 CO 0.01 0.32 0.00 -0.25 0.00 0.00 0.00 179.25 179.33 1sw3 n ASP 152 N -4.46 0.05 -0.57 0.00 8.00 -0.39 -2.33 116.55 116.85 1sw3 n ASP 152 Ca 0.04 0.51 0.06 0.00 0.71 0.00 0.00 54.79 56.11 1sw3 n ASP 152 Cb 0.06 -0.52 0.15 0.00 -0.02 0.00 0.00 41.12 40.79 1sw3 n ASP 152 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1sw3 n ASN 153 N -1.55 2.98 -4.23 -2.24 3.02 0.17 -4.96 115.26 108.45 1sw3 n ASN 153 Ca 0.03 -2.32 -0.35 0.00 -0.03 0.00 0.00 54.58 51.92 1sw3 n ASN 153 Cb 0.16 -0.28 -0.14 0.00 -0.61 0.00 0.00 39.78 38.90 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 -1.56 3.01 -0.08 2.41 1.01 -0.98 -4.01 120.40 120.19 1sw3 s VAL 154 Ca 0.25 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1sw3 s VAL 154 Cb 0.17 -2.47 -0.25 0.00 0.00 0.00 0.00 36.38 33.83 1sw3 s VAL 154 CO 0.11 0.27 0.51 0.29 0.00 0.00 0.00 175.10 176.28 1sw3 n LYS 155 N 4.71 0.70 -3.96 2.72 5.02 -1.26 -4.86 118.16 121.23 1sw3 n LYS 155 Ca -0.17 0.28 -0.30 0.00 -2.02 0.00 0.00 58.31 56.10 1sw3 n LYS 155 Cb 0.48 -1.75 -0.16 0.00 -0.02 0.00 0.00 35.03 33.58 1sw3 n LYS 155 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1sw3 s ASP 156 N -6.61 3.22 0.00 4.39 3.68 -1.26 -5.01 116.67 115.08 1sw3 s ASP 156 Ca -0.14 -0.82 0.30 0.00 2.13 0.00 0.00 52.55 54.02 1sw3 s ASP 156 Cb 0.07 -1.13 1.58 0.00 -1.45 0.00 0.00 42.92 41.99 1sw3 s ASP 156 CO 0.80 -0.16 2.06 0.79 0.13 0.00 0.00 175.17 178.79 1sw3 n TRP 157 N 4.74 0.00 0.24 -5.34 7.02 -1.26 -4.04 117.44 118.80 1sw3 n TRP 157 Ca -0.14 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.45 1sw3 n TRP 157 Cb 0.47 -0.09 0.57 0.00 -2.42 0.00 0.00 31.31 29.84 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 0.45 0.00 -0.26 -0.99 4.64 -1.98 -2.55 113.55 112.85 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 0.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1sw3 h SER 158 CO 0.00 0.19 -0.02 0.29 -0.87 0.00 0.00 176.83 176.42 1sw3 n LYS 159 N -3.49 2.44 -4.69 4.77 4.76 -1.26 -4.97 118.16 115.72 1sw3 n LYS 159 Ca -0.01 -2.91 -0.33 0.00 -2.87 0.00 0.00 58.31 52.19 1sw3 n LYS 159 Cb 0.35 -1.80 -0.13 0.00 -1.84 0.00 0.00 35.03 31.61 1sw3 n LYS 159 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1sw3 s VAL 160 N -2.96 3.41 -0.12 -0.18 1.01 -0.96 -1.19 120.40 119.41 1sw3 s VAL 160 Ca 0.42 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1sw3 s VAL 160 Cb 0.35 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 34.33 1sw3 s VAL 160 CO 0.06 0.56 -0.18 -0.69 0.00 0.00 0.00 175.10 174.85 1sw3 s VAL 161 N -0.25 1.70 -0.06 2.92 1.01 -0.20 -4.45 120.40 121.08 1sw3 s VAL 161 Ca 0.02 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 61.05 1sw3 s VAL 161 Cb -0.13 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1sw3 s VAL 161 CO 0.03 0.48 0.52 -0.76 0.00 0.00 0.00 175.10 175.37 1sw3 s LEU 162 N 0.95 4.35 -0.26 3.92 1.43 -0.58 -0.89 118.68 127.60 1sw3 s LEU 162 Ca -0.06 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 1sw3 s LEU 162 Cb -0.15 -2.78 0.04 0.00 0.03 0.00 0.00 46.19 43.34 1sw3 s LEU 162 CO -0.02 0.07 -0.07 0.00 0.23 0.00 0.00 176.35 176.55 1sw3 s ALA 163 N 0.15 2.65 -0.35 4.21 0.00 0.43 -0.86 121.76 127.99 1sw3 s ALA 163 Ca 0.28 -1.61 -0.22 0.00 0.00 0.00 0.00 51.96 50.41 1sw3 s ALA 163 Cb -0.16 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.29 1sw3 s ALA 163 CO 0.13 -1.01 0.71 -0.47 0.00 0.00 0.00 175.76 175.12 1sw3 s TYR 164 N 1.23 3.14 -0.32 0.00 5.04 -0.17 -1.10 117.35 125.17 1sw3 s TYR 164 Ca -0.04 0.49 -0.01 0.00 -2.44 0.00 0.00 57.07 55.07 1sw3 s TYR 164 Cb -0.18 -3.25 0.11 0.00 0.35 0.00 0.00 41.96 38.99 1sw3 s TYR 164 CO -0.05 -0.66 0.12 -1.21 -1.34 0.00 0.00 175.55 172.42 1sw3 s GLU 165 N 2.89 0.66 0.25 4.97 2.02 0.05 -1.32 118.70 128.22 1sw3 s GLU 165 Ca 0.28 -1.08 -0.31 0.00 0.02 0.00 0.00 54.97 53.88 1sw3 s GLU 165 Cb -0.14 -1.82 -0.12 0.00 0.10 0.00 0.00 34.13 32.15 1sw3 s GLU 165 CO 0.15 -1.03 1.61 -2.30 0.02 0.00 0.00 175.26 173.71 1sw3 n PRO 166 N 4.74 2.58 -0.05 0.39 -0.02 -1.26 -4.19 135.00 137.20 1sw3 n PRO 166 Ca -0.01 0.92 0.01 0.00 -2.02 0.00 0.00 63.50 62.41 1sw3 n PRO 166 Cb 0.41 -2.71 0.33 0.00 -0.02 0.00 0.00 33.50 31.51 1sw3 n PRO 166 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1sw3 h VAL 167 N 3.46 1.16 0.00 -1.45 2.07 -1.34 -2.17 116.25 117.98 1sw3 h VAL 167 Ca -0.45 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1sw3 h VAL 167 Cb 1.23 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1sw3 h VAL 167 CO 0.84 0.19 0.00 4.11 0.02 0.00 0.00 177.57 182.74 1sw3 h TRP 168 N 0.63 0.00 -0.01 1.57 5.08 -1.89 -2.85 115.95 118.48 1sw3 h TRP 168 Ca 0.16 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.13 1sw3 h TRP 168 Cb 0.11 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.27 1sw3 h TRP 168 CO 0.01 0.00 -0.60 0.00 -1.28 0.00 0.00 178.44 176.57 1sw3 n ALA 169 N -1.86 3.84 -2.61 0.11 0.00 -0.82 -4.64 120.51 114.53 1sw3 n ALA 169 Ca 0.01 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.46 1sw3 n ALA 169 Cb 0.22 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.69 4.48 0.00 0.00 1.01 -1.08 -2.10 121.20 120.82 1sw3 s ILE 170 Ca 0.16 1.32 0.00 0.00 0.00 0.00 0.00 60.65 62.13 1sw3 s ILE 170 Cb 0.18 -4.42 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1sw3 s ILE 170 CO 0.66 -0.64 0.00 0.61 0.00 0.00 0.00 174.94 175.57 1sw3 n GLY 171 N 4.37 0.53 0.00 6.18 0.00 -1.26 -4.85 105.19 110.17 1sw3 n GLY 171 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.28 0.00 -0.95 2.61 -2.24 -1.25 -4.97 114.28 105.19 1sw3 n THR 172 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1sw3 n THR 172 Cb 0.07 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 1.40 0.82 3.42 3.38 0.00 -1.26 -4.97 105.19 107.98 1sw3 n GLY 173 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1sw3 n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sw3 s LYS 174 N -0.13 4.12 0.43 1.61 1.02 -1.26 -5.02 119.74 120.51 1sw3 s LYS 174 Ca 0.00 -2.78 -0.24 0.00 0.02 0.00 0.00 55.97 52.98 1sw3 s LYS 174 Cb 0.00 -4.90 -0.08 0.00 -0.52 0.00 0.00 37.83 32.33 1sw3 s LYS 174 CO 0.00 -1.60 1.14 0.54 -0.92 0.00 0.00 175.35 174.51 1sw3 s VAL 175 N 0.68 3.27 0.50 3.17 0.11 -1.26 -4.07 120.40 122.79 1sw3 s VAL 175 Ca 0.39 0.97 -0.23 0.00 -2.93 0.00 0.00 61.98 60.18 1sw3 s VAL 175 Cb -0.05 -3.50 -0.06 0.00 -1.53 0.00 0.00 36.38 31.23 1sw3 s VAL 175 CO -0.03 0.01 1.30 0.00 -3.33 0.00 0.00 175.10 173.05 1sw3 s ALA 176 N -1.55 2.94 0.71 1.54 0.00 -1.26 -5.00 121.76 119.13 1sw3 s ALA 176 Ca 0.61 1.21 -0.13 0.00 0.00 0.00 0.00 51.96 53.65 1sw3 s ALA 176 Cb -0.27 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.37 1sw3 s ALA 176 CO 0.34 -1.08 1.10 0.95 0.00 0.00 0.00 175.76 177.06 1sw3 s THR 177 N -1.37 3.36 0.38 0.00 -4.23 -1.26 -4.84 115.64 107.68 1sw3 s THR 177 Ca 0.67 0.54 0.14 0.00 -1.18 0.00 0.00 61.69 61.85 1sw3 s THR 177 Cb -0.37 -3.06 0.35 0.00 1.34 0.00 0.00 72.50 70.77 1sw3 s THR 177 CO 0.44 -0.49 1.82 -0.65 -0.54 0.00 0.00 174.62 175.20 1sw3 h PRO 178 N -0.48 0.52 0.00 3.99 0.11 -1.94 -1.57 132.00 132.62 1sw3 h PRO 178 Ca -0.45 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.44 1sw3 h PRO 178 Cb 1.24 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1sw3 h PRO 178 CO 0.53 0.34 -0.84 1.96 -0.21 0.00 0.00 178.00 179.79 1sw3 h GLN 179 N 0.53 0.09 -0.26 1.05 7.50 -1.96 -1.10 115.11 120.97 1sw3 h GLN 179 Ca 0.53 -0.09 -0.03 0.00 0.50 0.00 0.00 58.65 59.55 1sw3 h GLN 179 Cb 1.12 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.67 1sw3 h GLN 179 CO -0.26 0.87 0.06 1.96 -1.50 0.00 0.00 178.83 179.96 1sw3 h GLN 180 N 0.05 0.42 -0.06 1.46 4.20 -1.67 -2.01 115.11 117.49 1sw3 h GLN 180 Ca -0.02 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1sw3 h GLN 180 Cb 1.46 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.19 1sw3 h GLN 180 CO 0.12 0.52 -0.01 0.00 -0.67 0.00 0.00 178.83 178.79 1sw3 h ALA 181 N 0.88 0.09 -0.89 3.87 0.00 -1.35 -2.90 119.26 118.96 1sw3 h ALA 181 Ca 0.08 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1sw3 h ALA 181 Cb 0.30 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1sw3 h ALA 181 CO 0.00 -0.22 0.57 0.37 0.00 0.00 0.00 179.25 179.97 1sw3 h GLN 182 N -0.20 1.05 -0.12 0.00 5.75 -1.21 -0.50 115.11 119.87 1sw3 h GLN 182 Ca 0.02 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.50 1sw3 h GLN 182 Cb 0.37 -0.24 -0.06 0.00 1.07 0.00 0.00 27.48 28.63 1sw3 h GLN 182 CO 0.00 0.69 -0.27 1.49 -2.65 0.00 0.00 178.83 178.10 1sw3 h GLU 183 N 1.08 -0.33 -0.46 1.69 4.81 -1.22 -0.79 114.58 119.36 1sw3 h GLU 183 Ca 0.36 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.48 1sw3 h GLU 183 Cb 0.06 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1sw3 h GLU 183 CO -0.14 -0.22 -0.23 0.28 -0.73 0.00 0.00 179.01 177.97 1sw3 h VAL 184 N -0.35 1.27 -0.62 0.32 2.07 -1.22 -2.51 116.25 115.22 1sw3 h VAL 184 Ca 0.10 -1.40 -0.09 0.00 0.82 0.00 0.00 66.70 66.13 1sw3 h VAL 184 Cb 0.49 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1sw3 h VAL 184 CO -0.32 0.48 0.04 0.45 0.02 0.00 0.00 177.57 178.24 1sw3 h HIS 185 N 0.81 1.15 -0.03 1.57 3.86 -0.77 -0.12 115.15 121.62 1sw3 h HIS 185 Ca 0.10 -0.18 -0.15 0.00 -1.16 0.00 0.00 60.37 58.98 1sw3 h HIS 185 Cb 0.81 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1sw3 h HIS 185 CO 0.06 0.99 -0.68 1.05 0.86 0.00 0.00 177.93 180.20 1sw3 h GLU 186 N 0.98 0.14 -0.48 2.45 4.11 -1.14 -1.29 114.58 119.34 1sw3 h GLU 186 Ca 0.18 -0.11 -0.06 0.00 0.07 0.00 0.00 59.36 59.44 1sw3 h GLU 186 Cb 0.51 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1sw3 h GLU 186 CO 0.02 0.77 0.07 0.87 0.07 0.00 0.00 179.01 180.81 1sw3 h LYS 187 N 0.09 0.80 -0.50 1.06 1.57 -1.09 -0.89 116.57 117.62 1sw3 h LYS 187 Ca -0.01 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1sw3 h LYS 187 Cb 1.22 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1sw3 h LYS 187 CO 0.10 0.81 0.32 -0.07 -0.57 0.00 0.00 179.45 180.04 1sw3 h LEU 188 N 0.67 0.58 -1.00 2.94 3.38 -0.90 0.89 115.31 121.87 1sw3 h LEU 188 Ca 0.15 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1sw3 h LEU 188 Cb 0.40 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1sw3 h LEU 188 CO 0.01 0.43 0.10 -0.09 0.09 0.00 0.00 178.44 178.98 1sw3 h ARG 189 N 0.67 0.82 -0.36 1.13 2.43 -1.13 -1.08 114.38 116.86 1sw3 h ARG 189 Ca 0.18 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1sw3 h ARG 189 Cb -0.06 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1sw3 h ARG 189 CO -0.04 0.76 -0.10 0.78 -1.51 0.00 0.00 179.97 179.87 1sw3 h GLY 190 N 0.97 0.67 0.99 2.80 0.00 -0.84 -1.44 103.07 106.22 1sw3 h GLY 190 Ca 0.17 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 1sw3 h GLY 190 CO 0.00 0.43 0.01 -0.25 0.00 0.00 0.00 176.54 176.74 1sw3 h TRP 191 N 0.57 0.89 -0.76 5.60 7.01 -0.11 -2.53 115.95 126.62 1sw3 h TRP 191 Ca 0.10 -0.15 -0.02 0.00 2.11 0.00 0.00 58.89 60.93 1sw3 h TRP 191 Cb 0.51 -0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 27.30 1sw3 h TRP 191 CO 0.02 0.85 0.38 -0.07 -2.79 0.00 0.00 178.44 176.83 1sw3 h LEU 192 N 0.68 0.96 -0.37 0.65 3.38 -0.97 -0.15 115.31 119.49 1sw3 h LEU 192 Ca 0.13 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1sw3 h LEU 192 Cb 0.48 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1sw3 h LEU 192 CO 0.02 0.80 0.13 0.50 0.09 0.00 0.00 178.44 179.98 1sw3 h LYS 193 N 1.07 0.56 0.00 1.13 3.64 -1.08 -0.53 116.57 121.37 1sw3 h LYS 193 Ca 0.26 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1sw3 h LYS 193 Cb 0.08 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1sw3 h LYS 193 CO -0.04 0.56 -0.48 0.66 -2.27 0.00 0.00 179.45 177.88 1sw3 h SER 194 N 0.44 0.00 0.00 4.20 4.64 -1.15 -3.29 113.55 118.40 1sw3 h SER 194 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1sw3 h SER 194 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1sw3 h SER 194 CO -0.01 0.05 -1.00 1.41 -0.87 0.00 0.00 176.83 176.41 1sw3 n HIS 195 N -2.93 0.00 0.00 4.77 8.25 -0.10 -4.89 115.22 120.32 1sw3 n HIS 195 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1sw3 n HIS 195 Cb 0.56 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.55 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 -1.56 0.00 -3.61 1.59 0.31 -0.28 -5.04 118.33 109.73 1sw3 n VAL 196 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.29 1sw3 n VAL 196 Cb 0.26 -0.20 -0.02 0.00 -0.91 0.00 0.00 33.84 32.97 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 1.00 -0.23 0.18 4.52 1.04 -0.74 -4.99 113.70 114.48 1sw3 s SER 197 Ca 0.00 -0.15 -0.12 0.00 0.48 0.00 0.00 55.95 56.16 1sw3 s SER 197 Cb 0.00 0.35 0.09 0.00 0.10 0.00 0.00 66.02 66.57 1sw3 s SER 197 CO 0.00 -0.61 1.77 -0.78 0.98 0.00 0.00 173.24 174.60 1sw3 h ASP 198 N 2.00 0.82 -0.81 7.02 3.58 -1.83 -1.40 116.42 125.80 1sw3 h ASP 198 Ca -0.22 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.11 1sw3 h ASP 198 Cb 1.22 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 42.02 1sw3 h ASP 198 CO 0.28 0.71 0.54 0.00 -2.88 0.00 0.00 179.24 177.88 1sw3 h ALA 199 N 1.14 1.42 0.00 -0.78 0.00 -1.95 -1.57 119.26 117.51 1sw3 h ALA 199 Ca 0.22 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.84 1sw3 h ALA 199 Cb 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1sw3 h ALA 199 CO -0.03 0.54 -0.95 0.28 0.00 0.00 0.00 179.25 179.09 1sw3 h VAL 200 N 1.10 1.39 -0.73 0.00 2.07 -1.85 -2.80 116.25 115.44 1sw3 h VAL 200 Ca 0.30 -2.44 -0.05 0.00 0.82 0.00 0.00 66.70 65.33 1sw3 h VAL 200 Cb -0.13 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1sw3 h VAL 200 CO -0.06 0.73 0.27 0.00 0.02 0.00 0.00 177.57 178.53 1sw3 h ALA 201 N 0.72 1.10 0.00 1.67 0.00 -0.99 -2.07 119.26 119.69 1sw3 h ALA 201 Ca -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1sw3 h ALA 201 Cb 1.59 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1sw3 h ALA 201 CO 0.17 0.63 -0.19 -0.56 0.00 0.00 0.00 179.25 179.30 1sw3 h GLN 202 N 1.07 0.00 -0.00 0.00 3.07 -1.26 -3.34 115.11 114.65 1sw3 h GLN 202 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.98 1sw3 h GLN 202 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.79 1sw3 h GLN 202 CO -0.02 0.00 -0.62 -1.13 0.09 0.00 0.00 178.83 177.15 1sw3 n SER 203 N -3.02 0.70 -4.69 0.06 3.41 -1.06 -4.71 113.62 104.31 1sw3 n SER 203 Ca 0.03 -0.85 -0.41 0.00 -0.26 0.00 0.00 58.87 57.38 1sw3 n SER 203 Cb 0.53 0.97 -0.04 0.00 -0.26 0.00 0.00 64.21 65.41 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 -2.25 4.88 0.12 6.66 2.01 -0.79 -4.94 115.64 121.34 1sw3 s THR 204 Ca 0.06 1.75 -0.30 0.00 0.31 0.00 0.00 61.69 63.50 1sw3 s THR 204 Cb 0.10 -4.19 -0.07 0.00 0.01 0.00 0.00 72.50 68.36 1sw3 s THR 204 CO 0.55 0.07 1.24 -0.13 -0.69 0.00 0.00 174.62 175.66 1sw3 s ARG 205 N 1.76 4.43 -0.24 4.92 3.00 -1.26 -4.97 118.95 126.57 1sw3 s ARG 205 Ca 0.42 1.88 0.01 0.00 0.00 0.00 0.00 55.73 58.04 1sw3 s ARG 205 Cb -0.18 -3.28 0.04 0.00 0.00 0.00 0.00 34.95 31.53 1sw3 s ARG 205 CO 0.16 -0.24 -0.10 0.42 0.00 0.00 0.00 175.30 175.54 1sw3 s ILE 206 N 0.65 2.45 0.12 1.52 1.01 -1.26 -1.53 121.20 124.16 1sw3 s ILE 206 Ca 0.58 -1.28 0.06 0.00 0.00 0.00 0.00 60.65 60.01 1sw3 s ILE 206 Cb -0.32 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 1sw3 s ILE 206 CO 0.32 0.15 -0.02 0.27 0.00 0.00 0.00 174.94 175.67 1sw3 s ILE 207 N 1.23 3.82 -0.08 2.92 -4.36 -0.04 -1.10 121.20 123.59 1sw3 s ILE 207 Ca -0.03 -1.18 -0.05 0.00 -0.26 0.00 0.00 60.65 59.13 1sw3 s ILE 207 Cb -0.17 -2.85 -0.04 0.00 1.25 0.00 0.00 42.46 40.65 1sw3 s ILE 207 CO -0.06 0.04 0.14 -0.47 0.24 0.00 0.00 174.94 174.83 1sw3 s TYR 208 N -1.43 3.54 0.04 1.37 6.14 -0.64 -1.00 117.35 125.36 1sw3 s TYR 208 Ca 0.26 0.43 -0.02 0.00 0.64 0.00 0.00 57.07 58.38 1sw3 s TYR 208 Cb -0.11 -1.88 -0.03 0.00 0.42 0.00 0.00 41.96 40.36 1sw3 s TYR 208 CO 0.18 0.68 0.00 0.20 0.64 0.00 0.00 175.55 177.25 1sw3 s GLY 209 N -1.36 0.33 0.00 8.97 0.00 -0.43 -1.19 107.32 113.64 1sw3 s GLY 209 Ca 0.19 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.05 1sw3 s GLY 209 CO 0.09 -0.97 0.00 0.61 0.00 0.00 0.00 173.10 172.83 1sw3 n GLY 210 N 0.71 2.06 2.84 0.20 0.00 -1.26 -4.05 105.19 105.70 1sw3 n GLY 210 Ca -0.18 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 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 -5.72 -4.70 1.61 7.64 -0.89 -4.42 113.62 107.14 1sw3 n SER 211 Ca 0.00 -0.24 -0.42 0.00 1.01 0.00 0.00 58.87 59.22 1sw3 n SER 211 Cb 0.00 -4.56 -0.03 0.00 -1.01 0.00 0.00 64.21 58.61 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 -3.11 3.97 0.31 0.44 1.01 -1.26 -4.66 120.40 117.09 1sw3 s VAL 212 Ca 0.25 1.39 0.03 0.00 0.00 0.00 0.00 61.98 63.64 1sw3 s VAL 212 Cb -0.11 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 1sw3 s VAL 212 CO 0.31 0.07 0.08 0.42 0.00 0.00 0.00 175.10 175.97 1sw3 s THR 213 N 1.48 0.91 0.56 3.92 -4.23 -1.26 -4.54 115.64 112.49 1sw3 s THR 213 Ca 0.59 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.38 1sw3 s THR 213 Cb -0.29 -2.71 0.33 0.00 1.34 0.00 0.00 72.50 71.17 1sw3 s THR 213 CO 0.27 0.00 2.22 1.23 -0.54 0.00 0.00 174.62 177.80 1sw3 h GLY 214 N 2.19 0.00 1.96 3.99 0.00 -1.95 -1.77 103.07 107.49 1sw3 h GLY 214 Ca -0.39 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.72 1sw3 h GLY 214 CO 0.65 0.00 -1.02 -1.33 0.00 0.00 0.00 176.54 174.84 1sw3 h GLY 215 N 0.10 0.04 -0.80 4.60 0.00 -1.96 -3.37 103.07 101.67 1sw3 h GLY 215 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1sw3 h GLY 215 CO 0.00 0.08 -0.20 1.16 0.00 0.00 0.00 176.54 177.58 1sw3 n ASN 216 N -3.38 1.71 0.09 0.19 0.23 -1.09 -4.73 115.26 108.28 1sw3 n ASN 216 Ca -0.01 -1.35 -0.04 0.00 -0.53 0.00 0.00 54.58 52.65 1sw3 n ASN 216 Cb 0.95 0.33 0.16 0.00 -2.08 0.00 0.00 39.78 39.14 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 0.19 1.00 -0.23 0.00 1.57 -1.84 -1.03 116.57 116.23 1sw3 h LYS 218 Ca 0.00 -0.30 -0.17 0.00 -1.87 0.00 0.00 60.65 58.31 1sw3 h LYS 218 Cb 0.99 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 1sw3 h LYS 218 CO 0.08 0.98 -0.55 0.93 -0.57 0.00 0.00 179.45 180.32 1sw3 h GLU 219 N 0.90 0.70 -0.44 3.15 3.07 -1.92 -2.47 114.58 117.56 1sw3 h GLU 219 Ca 0.17 -0.44 -0.01 0.00 -0.50 0.00 0.00 59.36 58.58 1sw3 h GLU 219 Cb 0.51 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.45 1sw3 h GLU 219 CO 0.02 1.07 0.24 -0.07 -1.40 0.00 0.00 179.01 178.87 1sw3 h LEU 220 N 0.54 0.55 -1.55 1.33 3.38 -1.57 -3.19 115.31 114.81 1sw3 h LEU 220 Ca 0.01 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1sw3 h LEU 220 Cb 1.12 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1sw3 h LEU 220 CO 0.11 0.48 -0.20 0.00 0.09 0.00 0.00 178.44 178.92 1sw3 h ALA 221 N 1.09 1.22 -0.00 1.53 0.00 -0.95 -2.52 119.26 119.63 1sw3 h ALA 221 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sw3 h ALA 221 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1sw3 h ALA 221 CO -0.03 0.26 -0.07 -1.13 0.00 0.00 0.00 179.25 178.28 1sw3 n SER 222 N -3.65 0.15 -4.77 0.00 3.41 -0.95 -4.82 113.62 102.98 1sw3 n SER 222 Ca -0.01 -0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.19 1sw3 n SER 222 Cb 0.33 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 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 -2.75 4.28 0.45 4.33 -1.52 -0.95 -4.93 119.66 118.56 1sw3 s GLN 223 Ca 0.21 2.23 0.11 0.00 -1.95 0.00 0.00 55.36 55.96 1sw3 s GLN 223 Cb 0.19 -3.01 1.00 0.00 -0.22 0.00 0.00 33.01 30.98 1sw3 s GLN 223 CO 0.51 -0.26 2.07 1.25 -0.25 0.00 0.00 175.29 178.62 1sw3 h HIS 224 N 3.24 0.27 -0.26 0.91 2.76 -1.89 -3.00 115.15 117.18 1sw3 h HIS 224 Ca -0.49 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.68 1sw3 h HIS 224 Cb 1.23 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.10 1sw3 h HIS 224 CO 0.55 0.21 0.00 -0.25 -1.30 0.00 0.00 177.93 177.14 1sw3 n ASP 225 N -4.46 2.68 -4.55 3.26 9.92 -1.26 -4.90 116.55 117.23 1sw3 n ASP 225 Ca 0.00 -1.83 -0.41 0.00 -0.53 0.00 0.00 54.79 52.02 1sw3 n ASP 225 Cb 0.11 -0.17 -0.08 0.00 -0.64 0.00 0.00 41.12 40.34 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 -1.01 5.08 -1.05 2.53 1.01 -1.14 -4.67 120.40 121.16 1sw3 s VAL 226 Ca 0.22 0.25 0.17 0.00 0.00 0.00 0.00 61.98 62.62 1sw3 s VAL 226 Cb 0.12 -3.91 0.61 0.00 0.00 0.00 0.00 36.38 33.21 1sw3 s VAL 226 CO 0.17 -0.16 1.52 0.47 0.00 0.00 0.00 175.10 177.10 1sw3 n ASP 227 N 5.60 4.22 0.00 3.32 10.43 -0.26 -4.81 116.55 135.05 1sw3 n ASP 227 Ca -0.06 -2.39 0.00 0.00 2.57 0.00 0.00 54.79 54.90 1sw3 n ASP 227 Cb 0.49 -0.50 0.00 0.00 1.84 0.00 0.00 41.12 42.95 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 0.84 0.85 3.06 0.44 0.00 -1.26 -1.23 105.19 107.90 1sw3 n GLY 228 Ca 0.22 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.54 0.17 -0.21 1.61 0.08 -0.15 -1.62 117.98 115.32 1sw3 s PHE 229 Ca 0.00 -0.39 -0.04 0.00 0.12 0.00 0.00 56.93 56.63 1sw3 s PHE 229 Cb 0.00 -0.13 -0.01 0.00 -0.57 0.00 0.00 43.02 42.31 1sw3 s PHE 229 CO 0.00 -0.27 -0.05 -1.17 -0.10 0.00 0.00 175.22 173.63 1sw3 s LEU 230 N -1.62 2.92 -0.16 -0.37 2.96 -0.33 -0.68 118.68 121.40 1sw3 s LEU 230 Ca -0.12 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1sw3 s LEU 230 Cb -0.07 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.89 1sw3 s LEU 230 CO -0.01 0.01 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.16 1sw3 s VAL 231 N 1.32 2.38 0.00 1.68 1.01 0.06 -4.10 120.40 122.75 1sw3 s VAL 231 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1sw3 s VAL 231 Cb -0.14 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1sw3 s VAL 231 CO -0.02 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1sw3 n GLY 232 N 4.18 0.87 0.28 4.51 0.00 -1.26 -0.54 105.19 113.23 1sw3 n GLY 232 Ca -0.20 0.00 0.06 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 1.15 2.00 -0.02 0.00 -1.91 -0.63 103.07 103.65 1sw3 h GLY 233 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1sw3 h GLY 233 CO 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 176.54 176.39 1sw3 n ALA 234 N -2.56 1.82 0.62 3.60 0.00 -1.26 -2.80 120.51 119.92 1sw3 n ALA 234 Ca 0.15 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.67 1sw3 n ALA 234 Cb 0.46 -1.31 0.46 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.62 0.45 -0.55 0.00 3.41 -0.24 -2.53 113.62 112.53 1sw3 n SER 235 Ca 0.04 0.57 0.14 0.00 -0.26 0.00 0.00 58.87 59.36 1sw3 n SER 235 Cb 0.22 -0.68 0.46 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.95 1.71 -4.54 1.04 4.77 -1.12 -4.90 117.00 112.01 1sw3 n LEU 236 Ca 0.04 -0.58 -0.24 0.00 -0.03 0.00 0.00 56.01 55.20 1sw3 n LEU 236 Cb 0.31 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.30 1sw3 n LEU 236 CO 0.23 0.29 -0.43 -0.54 -1.33 0.00 0.00 177.39 175.62 1sw3 s LYS 237 N -1.99 1.92 0.60 3.23 1.02 -1.05 -5.03 119.74 118.44 1sw3 s LYS 237 Ca 0.36 -1.55 0.31 0.00 0.02 0.00 0.00 55.97 55.11 1sw3 s LYS 237 Cb 0.21 -1.96 1.85 0.00 -0.52 0.00 0.00 37.83 37.41 1sw3 s LYS 237 CO 0.33 0.37 2.24 -1.00 -0.92 0.00 0.00 175.35 176.37 1sw3 h PRO 238 N 2.35 0.00 0.00 -1.68 0.13 -1.92 -2.11 132.00 128.77 1sw3 h PRO 238 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1sw3 h PRO 238 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1sw3 h PRO 238 CO 0.58 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.50 1sw3 n GLU 239 N -3.77 0.09 -0.27 0.86 0.28 -1.26 -2.08 120.64 114.48 1sw3 n GLU 239 Ca -0.02 0.42 0.15 0.00 -0.16 0.00 0.00 57.16 57.55 1sw3 n GLU 239 Cb 0.11 -1.71 0.42 0.00 1.43 0.00 0.00 31.44 31.70 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 0.74 -0.56 -1.84 3.57 -1.42 0.63 116.94 118.06 1sw3 h PHE 240 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1sw3 h PHE 240 Cb 0.20 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1sw3 h PHE 240 CO 0.00 0.22 0.35 0.28 -2.23 0.00 0.00 178.31 176.93 1sw3 h VAL 241 N 0.58 1.16 -0.49 1.41 2.07 -1.66 -1.29 116.25 118.04 1sw3 h VAL 241 Ca 0.48 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.67 1sw3 h VAL 241 Cb 0.94 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1sw3 h VAL 241 CO -0.22 0.16 0.32 0.44 0.02 0.00 0.00 177.57 178.30 1sw3 h ASP 242 N 0.76 0.51 -0.26 0.57 3.32 -1.07 -2.09 116.42 118.16 1sw3 h ASP 242 Ca 0.20 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.11 1sw3 h ASP 242 Cb -0.04 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 1sw3 h ASP 242 CO -0.04 0.36 -0.36 0.40 -1.72 0.00 0.00 179.24 177.88 1sw3 h ILE 243 N 0.60 1.31 -0.97 0.35 2.04 -0.74 -2.73 117.51 117.36 1sw3 h ILE 243 Ca 0.19 -1.56 0.10 0.00 1.00 0.00 0.00 64.86 64.59 1sw3 h ILE 243 Cb 0.03 1.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 1sw3 h ILE 243 CO -0.05 0.49 0.62 0.40 0.00 0.00 0.00 178.15 179.62 1sw3 h ILE 244 N 0.44 0.99 -0.72 -0.67 2.04 -0.90 -2.03 117.51 116.66 1sw3 h ILE 244 Ca 0.03 -0.35 -0.45 0.00 1.00 0.00 0.00 64.86 65.09 1sw3 h ILE 244 Cb 0.95 -0.13 -0.21 0.00 -0.74 0.00 0.00 36.82 36.69 1sw3 h ILE 244 CO 0.08 0.19 0.58 0.59 0.00 0.00 0.00 178.15 179.59 1sw3 n ASN 245 N -4.55 5.81 0.25 1.72 3.02 -0.82 -4.66 115.26 116.03 1sw3 n ASN 245 Ca 0.17 -3.32 0.14 0.00 -0.03 0.00 0.00 54.58 51.54 1sw3 n ASN 245 Cb 0.29 -0.92 0.60 0.00 -0.61 0.00 0.00 39.78 39.13 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 1.56 1.03 -0.52 5.41 0.00 -1.17 -2.88 119.26 122.70 1sw3 h ALA 246 Ca 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1sw3 h ALA 246 Cb 1.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1sw3 h ALA 246 CO 1.03 0.12 0.00 1.63 0.00 0.00 0.00 179.25 182.03 1sw3 n LYS 247 N -3.25 3.32 0.00 0.00 5.02 -1.26 -4.61 118.16 117.37 1sw3 n LYS 247 Ca 0.00 -2.33 0.00 0.00 -2.02 0.00 0.00 58.31 53.96 1sw3 n LYS 247 Cb 0.35 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 1sw3 n LYS 247 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60