#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h0r s LYS 2 N 0.00 1.95 -0.01 0.03 1.02 -1.26 -1.81 119.74 119.65 2h0r s LYS 2 Ca 0.00 -1.04 0.00 0.00 0.02 0.00 0.00 55.97 54.95 2h0r s LYS 2 Cb 0.00 -2.09 0.02 0.00 -0.52 0.00 0.00 37.83 35.24 2h0r s LYS 2 CO 0.00 0.53 0.01 0.99 -0.92 0.00 0.00 175.35 175.96 2h0r s THR 3 N -0.86 0.01 -0.15 2.17 2.01 -0.57 -1.34 115.64 116.91 2h0r s THR 3 Ca 0.13 0.10 -0.06 0.00 0.31 0.00 0.00 61.69 62.16 2h0r s THR 3 Cb -0.10 -0.08 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 2h0r s THR 3 CO 0.04 0.06 0.06 -0.22 -0.69 0.00 0.00 174.62 173.87 2h0r s LEU 4 N 0.57 3.87 -0.26 4.42 2.96 -0.63 -0.13 118.68 129.49 2h0r s LEU 4 Ca -0.05 0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 2h0r s LEU 4 Cb -0.07 -1.96 0.03 0.00 0.50 0.00 0.00 46.19 44.69 2h0r s LEU 4 CO -0.02 0.25 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.58 2h0r s ILE 5 N -0.10 2.82 -0.44 6.68 1.01 0.17 -0.55 121.20 130.78 2h0r s ILE 5 Ca 0.07 -1.15 -0.19 0.00 0.00 0.00 0.00 60.65 59.39 2h0r s ILE 5 Cb -0.12 -2.48 0.03 0.00 0.01 0.00 0.00 42.46 39.89 2h0r s ILE 5 CO 0.01 0.13 0.54 -0.69 0.00 0.00 0.00 174.94 174.93 2h0r s VAL 6 N 1.29 4.96 -0.49 2.92 1.01 0.20 -1.62 120.40 128.67 2h0r s VAL 6 Ca -0.02 -0.23 -0.19 0.00 0.00 0.00 0.00 61.98 61.54 2h0r s VAL 6 Cb -0.17 -4.15 0.05 0.00 0.00 0.00 0.00 36.38 32.11 2h0r s VAL 6 CO -0.04 -0.55 0.62 -0.69 0.00 0.00 0.00 175.10 174.43 2h0r s VAL 7 N 2.45 4.88 -1.16 2.92 1.01 0.16 -0.28 120.40 130.38 2h0r s VAL 7 Ca 0.16 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 2h0r s VAL 7 Cb -0.17 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 2h0r s VAL 7 CO 0.15 -0.76 0.95 0.47 0.00 0.00 0.00 175.10 175.91 2h0r n ASP 8 N 6.15 -3.40 -4.46 3.32 9.92 -0.33 -1.34 116.55 126.42 2h0r n ASP 8 Ca -0.06 -0.67 -0.44 0.00 -0.53 0.00 0.00 54.79 53.09 2h0r n ASP 8 Cb 0.46 -5.04 -0.02 0.00 -0.64 0.00 0.00 41.12 35.88 2h0r n ASP 8 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 2h0r s MET 9 N -5.13 3.70 0.02 -1.24 -1.94 -1.26 -4.49 119.30 108.96 2h0r s MET 9 Ca 0.14 -1.90 0.01 0.00 -1.71 0.00 0.00 55.69 52.24 2h0r s MET 9 Cb -0.02 -4.98 -0.02 0.00 2.01 0.00 0.00 34.83 31.82 2h0r s MET 9 CO 0.74 -1.80 -0.05 -0.65 -0.01 0.00 0.00 175.02 173.25 2h0r s GLN 10 N 2.60 0.40 0.12 2.03 -0.21 -1.26 -1.95 119.66 121.40 2h0r s GLN 10 Ca 0.36 -0.53 -0.23 0.00 0.02 0.00 0.00 55.36 54.97 2h0r s GLN 10 Cb -0.04 -0.19 -0.05 0.00 1.00 0.00 0.00 33.01 33.74 2h0r s GLN 10 CO -0.07 0.03 1.16 0.09 -2.12 0.00 0.00 175.29 174.38 2h0r n ASN 11 N 1.95 -0.79 0.16 5.90 3.02 -0.70 -0.40 115.26 124.40 2h0r n ASN 11 Ca -0.20 1.34 0.11 0.00 -0.03 0.00 0.00 54.58 55.80 2h0r n ASN 11 Cb 0.56 -0.18 0.56 0.00 -0.61 0.00 0.00 39.78 40.12 2h0r n ASN 11 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2h0r n ASP 12 N -4.95 0.54 -0.11 6.41 8.00 -0.53 -1.07 116.55 124.83 2h0r n ASP 12 Ca 0.02 0.75 -0.15 0.00 0.71 0.00 0.00 54.79 56.12 2h0r n ASP 12 Cb 0.20 -0.81 -0.12 0.00 -0.02 0.00 0.00 41.12 40.37 2h0r n ASP 12 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2h0r n PHE 13 N -2.23 0.00 -0.12 1.24 3.72 0.47 -1.74 117.46 118.80 2h0r n PHE 13 Ca -0.01 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.13 2h0r n PHE 13 Cb 0.04 -0.91 -0.11 0.00 -0.94 0.00 0.00 39.48 37.57 2h0r n PHE 13 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2h0r n ILE 14 N -3.07 1.54 -2.08 4.37 2.08 -0.12 0.78 119.36 122.86 2h0r n ILE 14 Ca -0.39 -0.23 -0.39 0.00 0.56 0.00 0.00 62.75 62.30 2h0r n ILE 14 Cb 0.98 -1.94 -0.00 0.00 -0.75 0.00 0.00 39.64 37.93 2h0r n ILE 14 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2h0r s SER 15 N -7.17 6.19 0.34 4.38 0.15 -0.24 -4.10 113.70 113.27 2h0r s SER 15 Ca -0.34 2.58 0.05 0.00 0.70 0.00 0.00 55.95 58.94 2h0r s SER 15 Cb 0.10 -2.63 0.63 0.00 -1.71 0.00 0.00 66.02 62.41 2h0r s SER 15 CO 0.55 -0.92 1.89 -0.65 1.20 0.00 0.00 173.24 175.31 2h0r h PRO 16 N 2.44 0.52 -0.65 5.44 0.11 -1.93 -0.30 132.00 137.62 2h0r h PRO 16 Ca -0.50 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.51 2h0r h PRO 16 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2h0r h PRO 16 CO 0.62 0.53 0.00 1.28 -0.21 0.00 0.00 178.00 180.22 2h0r n LEU 17 N -4.30 0.65 -4.82 2.35 4.77 -1.26 -4.75 117.00 109.64 2h0r n LEU 17 Ca 0.02 -0.33 -0.36 0.00 -0.03 0.00 0.00 56.01 55.31 2h0r n LEU 17 Cb 0.23 -0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 2h0r n LEU 17 CO 0.39 0.16 0.33 -0.83 -1.33 0.00 0.00 177.39 176.11 2h0r s GLY 18 N -0.37 2.58 0.00 -0.72 0.00 -0.13 -4.90 107.32 103.78 2h0r s GLY 18 Ca 0.00 0.04 0.27 0.00 0.00 0.00 0.00 44.72 45.03 2h0r s GLY 18 CO 0.00 0.39 1.91 -1.14 0.00 0.00 0.00 173.10 174.26 2h0r n SER 19 N 0.93 0.00 -2.84 1.64 3.41 -1.25 -3.57 113.62 111.93 2h0r n SER 19 Ca -0.05 -0.01 -0.12 0.00 -0.26 0.00 0.00 58.87 58.44 2h0r n SER 19 Cb 0.51 -0.32 0.02 0.00 -0.26 0.00 0.00 64.21 64.17 2h0r n SER 19 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2h0r n LEU 20 N -1.32 0.70 -4.66 1.04 7.94 -0.71 -4.91 117.00 115.08 2h0r n LEU 20 Ca 0.12 -4.11 -0.43 0.00 -1.11 0.00 0.00 56.01 50.47 2h0r n LEU 20 Cb 0.23 0.52 -0.03 0.00 0.53 0.00 0.00 43.42 44.66 2h0r n LEU 20 CO 0.21 1.86 1.59 0.41 -1.11 0.00 0.00 177.39 180.36 2h0r n THR 21 N 0.03 0.74 -2.63 1.96 -1.04 -1.18 -4.13 114.28 108.03 2h0r n THR 21 Ca 0.13 -0.14 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 2h0r n THR 21 Cb 0.76 -2.25 -0.03 0.00 -1.82 0.00 0.00 70.33 67.00 2h0r n THR 21 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2h0r s VAL 22 N 4.45 4.58 -0.10 12.58 1.01 0.23 -4.99 120.40 138.17 2h0r s VAL 22 Ca 0.90 1.88 -0.38 0.00 0.00 0.00 0.00 61.98 64.39 2h0r s VAL 22 Cb -0.48 -4.21 -0.15 0.00 0.00 0.00 0.00 36.38 31.54 2h0r s VAL 22 CO 0.44 0.16 1.63 -2.65 0.00 0.00 0.00 175.10 174.68 2h0r n PRO 23 N 3.76 1.42 -0.96 2.72 -0.02 -1.26 -2.36 135.00 138.30 2h0r n PRO 23 Ca 0.06 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2h0r n PRO 23 Cb 0.49 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2h0r n PRO 23 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2h0r n LYS 24 N 4.55 -1.87 0.31 -0.52 5.02 -1.26 -4.83 118.16 119.57 2h0r n LYS 24 Ca 0.22 0.46 0.21 0.00 -2.02 0.00 0.00 58.31 57.19 2h0r n LYS 24 Cb 0.19 -4.95 1.04 0.00 -0.02 0.00 0.00 35.03 31.29 2h0r n LYS 24 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2h0r h GLY 25 N 0.00 0.00 1.94 0.72 0.00 -1.77 -2.78 103.07 101.18 2h0r h GLY 25 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2h0r h GLY 25 CO 0.00 0.00 -0.00 -2.09 0.00 0.00 0.00 176.54 174.45 2h0r h GLU 26 N 0.00 0.08 0.00 4.80 4.81 -1.82 -2.49 114.58 119.96 2h0r h GLU 26 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2h0r h GLU 26 Cb 0.15 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2h0r h GLU 26 CO 0.00 0.10 0.00 0.93 -0.73 0.00 0.00 179.01 179.31 2h0r h GLU 27 N 0.08 0.00 0.00 1.92 5.08 -1.88 -3.12 114.58 116.67 2h0r h GLU 27 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2h0r h GLU 27 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2h0r h GLU 27 CO 0.00 0.00 -0.10 -0.07 -1.00 0.00 0.00 179.01 177.84 2h0r h LEU 28 N 0.00 0.00 -0.44 1.33 3.38 -1.67 -3.38 115.31 114.54 2h0r h LEU 28 Ca 0.00 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2h0r h LEU 28 Cb 0.26 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 2h0r h LEU 28 CO 0.00 0.00 0.15 0.40 0.09 0.00 0.00 178.44 179.08 2h0r h ILE 29 N 0.00 0.85 0.04 1.22 2.04 -1.73 -1.74 117.51 118.19 2h0r h ILE 29 Ca 0.00 -0.11 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 2h0r h ILE 29 Cb 0.97 0.51 0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2h0r h ILE 29 CO 0.00 0.06 -0.43 0.78 0.00 0.00 0.00 178.15 178.56 2h0r h ASN 30 N 0.31 0.31 -0.77 1.72 4.21 -1.84 -0.27 115.58 119.25 2h0r h ASN 30 Ca 0.21 -0.86 -0.01 0.00 1.21 0.00 0.00 56.30 56.85 2h0r h ASN 30 Cb 0.21 -0.10 -0.04 0.00 -1.12 0.00 0.00 38.32 37.27 2h0r h ASN 30 CO -0.22 1.14 0.43 1.55 -1.29 0.00 0.00 177.43 179.03 2h0r h PRO 31 N -0.47 1.08 -0.08 0.81 0.13 -1.75 0.50 132.00 132.22 2h0r h PRO 31 Ca -0.06 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 64.94 2h0r h PRO 31 Cb 1.23 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 2h0r h PRO 31 CO 0.08 0.79 0.02 0.82 -0.23 0.00 0.00 178.00 179.48 2h0r h ILE 32 N 1.08 1.19 -0.77 -3.56 2.04 -1.41 0.85 117.51 116.93 2h0r h ILE 32 Ca 0.27 -0.58 0.07 0.00 1.00 0.00 0.00 64.86 65.63 2h0r h ILE 32 Cb 0.02 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 2h0r h ILE 32 CO -0.04 0.16 0.50 -1.28 0.00 0.00 0.00 178.15 177.49 2h0r h SER 33 N -0.08 0.70 0.15 1.72 0.87 -0.43 -0.98 113.55 115.49 2h0r h SER 33 Ca 0.03 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2h0r h SER 33 Cb 0.24 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2h0r h SER 33 CO 0.00 0.44 -0.07 0.44 -0.53 0.00 0.00 176.83 177.11 2h0r h ASP 34 N 0.79 -0.17 -0.34 6.23 3.32 0.09 -3.22 116.42 123.11 2h0r h ASP 34 Ca 0.34 -0.33 0.10 0.00 0.02 0.00 0.00 57.03 57.16 2h0r h ASP 34 Cb 0.31 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2h0r h ASP 34 CO -0.12 0.28 0.57 0.25 -1.72 0.00 0.00 179.24 178.50 2h0r h LEU 35 N -0.67 0.00 -0.52 1.55 5.85 0.00 0.34 115.31 121.85 2h0r h LEU 35 Ca -0.02 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 2h0r h LEU 35 Cb 0.49 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2h0r h LEU 35 CO 0.03 0.00 -0.55 0.24 -0.34 0.00 0.00 178.44 177.82 2h0r h MET 36 N 0.00 0.00 0.00 1.25 2.86 -1.21 -3.31 114.93 114.52 2h0r h MET 36 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2h0r h MET 36 Cb 1.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.96 2h0r h MET 36 CO -0.00 0.55 -1.87 1.04 1.06 0.00 0.00 176.91 177.69 2h0r n GLN 37 N -3.47 0.60 -1.48 1.72 3.00 0.04 -4.96 117.38 112.83 2h0r n GLN 37 Ca 0.00 -0.18 -0.43 0.00 -0.01 0.00 0.00 57.00 56.39 2h0r n GLN 37 Cb 0.66 -1.48 -0.13 0.00 0.00 0.00 0.00 30.24 29.29 2h0r n GLN 37 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2h0r n ASP 38 N -2.17 0.71 0.23 1.08 -0.08 -0.76 -4.77 116.55 110.79 2h0r n ASP 38 Ca -0.03 0.14 0.09 0.00 -1.51 0.00 0.00 54.79 53.48 2h0r n ASP 38 Cb 0.51 -1.03 0.53 0.00 2.34 0.00 0.00 41.12 43.48 2h0r n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2h0r h ALA 39 N 12.82 1.17 -0.05 -1.67 0.00 -1.92 -2.58 119.26 127.03 2h0r h ALA 39 Ca -0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2h0r h ALA 39 Cb 1.32 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2h0r h ALA 39 CO 1.31 0.29 -0.08 -0.44 0.00 0.00 0.00 179.25 180.33 2h0r h ASP 40 N 0.00 0.07 0.38 0.00 3.32 -2.00 -2.65 116.42 115.54 2h0r h ASP 40 Ca -0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2h0r h ASP 40 Cb 0.60 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 2h0r h ASP 40 CO 0.03 0.16 -0.06 0.03 -1.72 0.00 0.00 179.24 177.68 2h0r h ARG 41 N 0.07 0.00 -5.29 3.56 2.47 -1.84 -3.47 114.38 109.89 2h0r h ARG 41 Ca 0.02 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.44 2h0r h ARG 41 Cb 0.19 0.00 0.15 0.00 -1.65 0.00 0.00 29.97 28.66 2h0r h ARG 41 CO 0.01 0.06 -0.68 -0.25 0.56 0.00 0.00 179.97 179.67 2h0r n ASP 42 N -3.40 -2.36 -4.59 7.04 8.00 -1.00 -4.92 116.55 115.31 2h0r n ASP 42 Ca -0.02 -0.55 -0.43 0.00 0.71 0.00 0.00 54.79 54.51 2h0r n ASP 42 Cb 0.20 -4.65 -0.03 0.00 -0.02 0.00 0.00 41.12 36.62 2h0r n ASP 42 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2h0r s TRP 43 N -3.32 1.99 0.12 1.24 0.23 -1.26 -4.45 118.94 113.48 2h0r s TRP 43 Ca 0.04 0.64 -0.10 0.00 -2.03 0.00 0.00 56.10 54.66 2h0r s TRP 43 Cb -0.02 -4.19 -0.12 0.00 0.03 0.00 0.00 33.47 29.17 2h0r s TRP 43 CO 0.66 -2.58 1.31 1.25 0.96 0.00 0.00 176.95 178.55 2h0r h HIS 44 N 12.31 0.93 -3.32 -1.98 -0.00 -1.56 -3.46 115.15 118.06 2h0r h HIS 44 Ca -0.31 -0.43 -0.16 0.00 -0.00 0.00 0.00 60.37 59.47 2h0r h HIS 44 Cb 1.15 -0.13 -0.23 0.00 -0.00 0.00 0.00 27.41 28.19 2h0r h HIS 44 CO 0.97 1.25 -0.46 1.03 -0.00 0.00 0.00 177.93 180.73 2h0r s ARG 45 N -3.62 0.39 -0.04 5.26 1.81 -1.04 -5.02 118.95 116.70 2h0r s ARG 45 Ca -0.09 -0.05 0.04 0.00 -1.72 0.00 0.00 55.73 53.91 2h0r s ARG 45 Cb 0.09 0.17 -0.03 0.00 -0.45 0.00 0.00 34.95 34.73 2h0r s ARG 45 CO 0.89 -0.08 -0.14 0.42 -0.68 0.00 0.00 175.30 175.71 2h0r s ILE 46 N -0.68 3.11 -0.02 1.52 1.01 -1.26 -1.61 121.20 123.28 2h0r s ILE 46 Ca -0.08 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.85 2h0r s ILE 46 Cb -0.04 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.20 2h0r s ILE 46 CO 0.01 0.56 -0.07 -0.69 0.00 0.00 0.00 174.94 174.75 2h0r s VAL 47 N -0.77 0.65 -0.10 2.92 1.01 0.28 -3.96 120.40 120.44 2h0r s VAL 47 Ca 0.12 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.82 2h0r s VAL 47 Cb -0.11 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 2h0r s VAL 47 CO 0.01 0.21 -0.13 0.68 0.00 0.00 0.00 175.10 175.88 2h0r s VAL 48 N 0.22 3.14 -0.08 2.92 -7.23 -0.76 0.60 120.40 119.21 2h0r s VAL 48 Ca -0.03 -0.65 -0.04 0.00 -1.81 0.00 0.00 61.98 59.44 2h0r s VAL 48 Cb -0.08 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 2h0r s VAL 48 CO 0.00 0.55 0.11 0.42 -0.31 0.00 0.00 175.10 175.87 2h0r s THR 49 N -0.04 5.14 -0.18 5.32 -4.23 0.61 -1.41 115.64 120.85 2h0r s THR 49 Ca -0.03 -0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 60.42 2h0r s THR 49 Cb -0.14 -3.26 0.06 0.00 1.34 0.00 0.00 72.50 70.50 2h0r s THR 49 CO 0.04 0.54 0.07 -0.60 -0.54 0.00 0.00 174.62 174.12 2h0r s ARG 50 N -1.22 0.33 0.05 3.99 3.52 -0.70 -1.19 118.95 123.72 2h0r s ARG 50 Ca 0.17 -0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 55.22 2h0r s ARG 50 Cb -0.12 -1.94 -0.09 0.00 -1.56 0.00 0.00 34.95 31.24 2h0r s ARG 50 CO 0.07 -0.67 1.96 -3.47 -0.81 0.00 0.00 175.30 172.38 2h0r n ASP 51 N 5.17 4.16 -3.00 -2.12 2.03 -1.26 -2.11 116.55 119.43 2h0r n ASP 51 Ca -0.08 0.91 -0.22 0.00 0.52 0.00 0.00 54.79 55.93 2h0r n ASP 51 Cb 0.48 -1.53 -0.03 0.00 -0.72 0.00 0.00 41.12 39.32 2h0r n ASP 51 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 2h0r n TRP 52 N 7.28 2.10 -2.32 -0.67 -0.00 0.40 -4.83 117.44 119.40 2h0r n TRP 52 Ca 0.20 -3.78 -0.36 0.00 -0.00 0.00 0.00 57.50 53.56 2h0r n TRP 52 Cb 0.40 -0.42 -0.01 0.00 -0.00 0.00 0.00 31.31 31.28 2h0r n TRP 52 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 177.69 176.68 2h0r s HIS 53 N -2.99 2.85 0.60 5.87 3.76 -1.08 -3.58 115.29 120.71 2h0r s HIS 53 Ca 0.43 1.55 -0.14 0.00 -0.15 0.00 0.00 55.06 56.76 2h0r s HIS 53 Cb 0.33 -3.29 -0.04 0.00 1.11 0.00 0.00 32.58 30.70 2h0r s HIS 53 CO -0.10 -1.37 1.03 -1.25 -0.85 0.00 0.00 174.74 172.20 2h0r s PRO 54 N -2.96 3.46 0.45 8.40 0.04 -1.26 0.47 135.00 143.60 2h0r s PRO 54 Ca 0.67 1.02 0.28 0.00 0.04 0.00 0.00 61.00 63.01 2h0r s PRO 54 Cb -0.25 -2.06 1.53 0.00 0.04 0.00 0.00 34.50 33.76 2h0r s PRO 54 CO 0.29 -0.68 1.85 0.66 0.04 0.00 0.00 177.00 179.16 2h0r h SER 55 N 0.23 0.00 -0.53 6.66 4.64 -1.95 -2.17 113.55 120.43 2h0r h SER 55 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2h0r h SER 55 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2h0r h SER 55 CO 0.59 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.09 2h0r n ARG 56 N -2.53 3.10 -1.43 4.77 5.12 -1.26 -5.00 116.66 119.44 2h0r n ARG 56 Ca -0.02 -2.55 -0.36 0.00 -1.93 0.00 0.00 57.85 52.99 2h0r n ARG 56 Cb 0.11 -1.60 0.08 0.00 -1.16 0.00 0.00 32.46 29.90 2h0r n ARG 56 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 2h0r n HIS 57 N 0.90 0.79 0.21 -1.55 -0.00 -0.82 -4.94 115.22 109.81 2h0r n HIS 57 Ca 0.20 0.40 0.11 0.00 0.46 0.00 0.00 57.72 58.89 2h0r n HIS 57 Cb 0.67 -2.10 0.19 0.00 -0.12 0.00 0.00 29.99 28.62 2h0r n HIS 57 CO 0.00 0.00 0.00 0.97 0.46 0.00 0.00 176.34 177.77 2h0r h ILE 58 N -0.09 0.14 0.00 3.57 2.10 -1.68 -3.25 117.51 118.30 2h0r h ILE 58 Ca -0.48 -1.15 0.00 0.00 1.08 0.00 0.00 64.86 64.31 2h0r h ILE 58 Cb 1.34 2.03 0.00 0.00 -1.09 0.00 0.00 36.82 39.09 2h0r h ILE 58 CO 0.48 0.08 0.00 0.77 -1.08 0.00 0.00 178.15 178.40 2h0r h SER 59 N 0.00 0.00 -3.20 2.19 4.64 -1.90 -3.44 113.55 111.84 2h0r h SER 59 Ca -0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 2h0r h SER 59 Cb 1.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 2h0r h SER 59 CO 0.01 0.00 0.59 -0.36 -0.87 0.00 0.00 176.83 176.20 2h0r s PHE 60 N -3.26 3.38 -0.89 4.77 0.08 -1.23 0.18 117.98 121.02 2h0r s PHE 60 Ca 0.07 1.39 0.17 0.00 0.12 0.00 0.00 56.93 58.69 2h0r s PHE 60 Cb 0.09 -3.32 0.72 0.00 -0.57 0.00 0.00 43.02 39.94 2h0r s PHE 60 CO 0.57 -0.85 1.54 0.00 -0.10 0.00 0.00 175.22 176.38 2h0r n ALA 61 N 4.71 1.70 -0.02 5.36 0.00 -0.30 -2.16 120.51 129.80 2h0r n ALA 61 Ca 0.09 -0.03 -0.05 0.00 0.00 0.00 0.00 53.44 53.46 2h0r n ALA 61 Cb 0.48 -1.28 0.16 0.00 0.00 0.00 0.00 19.45 18.81 2h0r n ALA 61 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2h0r h LYS 62 N 0.00 0.58 -0.83 0.00 3.64 -1.82 -3.10 116.57 115.04 2h0r h LYS 62 Ca 0.00 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.10 2h0r h LYS 62 Cb 0.29 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 2h0r h LYS 62 CO 0.00 0.77 0.07 0.09 -2.27 0.00 0.00 179.45 178.12 2h0r n ASN 63 N -4.12 3.42 -3.52 4.20 3.02 -0.92 -4.61 115.26 112.73 2h0r n ASN 63 Ca -0.00 -2.55 -0.24 0.00 -0.03 0.00 0.00 54.58 51.76 2h0r n ASN 63 Cb 0.42 -0.61 -0.14 0.00 -0.61 0.00 0.00 39.78 38.83 2h0r n ASN 63 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2h0r s HIS 64 N -1.85 0.03 0.55 3.10 3.76 -1.17 -4.98 115.29 114.72 2h0r s HIS 64 Ca 0.28 -0.38 -0.19 0.00 -0.15 0.00 0.00 55.06 54.62 2h0r s HIS 64 Cb 0.22 -0.66 -0.06 0.00 1.11 0.00 0.00 32.58 33.20 2h0r s HIS 64 CO 0.08 -0.72 1.12 0.21 -0.85 0.00 0.00 174.74 174.58 2h0r s LYS 65 N 2.20 3.35 -1.56 1.40 2.47 -1.26 -3.26 119.74 123.08 2h0r s LYS 65 Ca 0.07 1.57 0.00 0.00 -1.56 0.00 0.00 55.97 56.05 2h0r s LYS 65 Cb -0.16 -2.01 0.00 0.00 -1.46 0.00 0.00 37.83 34.21 2h0r s LYS 65 CO -0.24 -0.85 0.00 -0.25 0.16 0.00 0.00 175.35 174.18 2h0r n ASP 66 N -1.37 -5.16 -3.36 1.43 8.00 -1.26 -4.99 116.55 109.84 2h0r n ASP 66 Ca 0.11 0.05 -0.11 0.00 0.71 0.00 0.00 54.79 55.55 2h0r n ASP 66 Cb 0.51 -4.23 -0.08 0.00 -0.02 0.00 0.00 41.12 37.30 2h0r n ASP 66 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2h0r s LYS 67 N -4.69 0.34 0.71 -1.24 1.02 -1.20 -5.16 119.74 109.52 2h0r s LYS 67 Ca 0.00 0.37 -0.11 0.00 0.02 0.00 0.00 55.97 56.24 2h0r s LYS 67 Cb 0.00 -0.53 0.02 0.00 -0.52 0.00 0.00 37.83 36.80 2h0r s LYS 67 CO 0.00 -0.75 1.10 -1.21 -0.92 0.00 0.00 175.35 173.57 2h0r s GLU 68 N 2.51 2.80 0.54 1.68 0.41 -1.26 -4.59 118.70 120.79 2h0r s GLU 68 Ca 0.11 0.47 -0.19 0.00 -0.41 0.00 0.00 54.97 54.95 2h0r s GLU 68 Cb -0.15 -2.01 -0.08 0.00 -1.78 0.00 0.00 34.13 30.10 2h0r s GLU 68 CO -0.20 -1.08 0.67 -2.30 -0.49 0.00 0.00 175.26 171.86 2h0r n PRO 69 N -3.04 0.68 0.00 0.39 -0.02 -1.26 -3.33 135.00 128.43 2h0r n PRO 69 Ca 0.07 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2h0r n PRO 69 Cb 0.57 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 2h0r n PRO 69 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2h0r n TYR 70 N -1.48 0.00 -1.69 6.00 4.02 0.33 -5.00 117.16 119.33 2h0r n TYR 70 Ca 0.12 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.68 2h0r n TYR 70 Cb 0.46 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.83 2h0r n TYR 70 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2h0r s SER 71 N -2.93 5.12 0.07 7.72 1.04 -1.21 -4.68 113.70 118.83 2h0r s SER 71 Ca 0.00 1.91 -0.21 0.00 0.48 0.00 0.00 55.95 58.12 2h0r s SER 71 Cb 0.00 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.52 2h0r s SER 71 CO 0.00 -1.62 0.63 -0.89 0.98 0.00 0.00 173.24 172.34 2h0r s THR 72 N -2.52 4.71 0.11 2.02 2.01 -1.26 -2.07 115.64 118.64 2h0r s THR 72 Ca 0.65 1.34 0.10 0.00 0.31 0.00 0.00 61.69 64.08 2h0r s THR 72 Cb -0.19 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 2h0r s THR 72 CO 0.45 0.50 -0.24 -0.47 -0.69 0.00 0.00 174.62 174.17 2h0r s TYR 73 N -0.80 2.07 -0.47 4.92 5.04 0.72 -4.95 117.35 123.88 2h0r s TYR 73 Ca 0.31 -0.40 -0.16 0.00 -2.44 0.00 0.00 57.07 54.39 2h0r s TYR 73 Cb -0.20 -1.13 0.07 0.00 0.35 0.00 0.00 41.96 41.04 2h0r s TYR 73 CO 0.20 0.26 0.40 0.99 -1.34 0.00 0.00 175.55 176.06 2h0r s THR 74 N -1.08 5.22 -0.08 4.34 2.01 -1.26 -0.39 115.64 124.40 2h0r s THR 74 Ca 0.10 -1.01 -0.28 0.00 0.31 0.00 0.00 61.69 60.82 2h0r s THR 74 Cb -0.10 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 2h0r s THR 74 CO 0.05 -0.57 0.91 -0.31 -0.69 0.00 0.00 174.62 174.01 2h0r s TYR 75 N 1.69 3.56 0.16 4.92 4.12 0.12 -4.90 117.35 127.02 2h0r s TYR 75 Ca 0.05 1.50 -0.06 0.00 0.02 0.00 0.00 57.07 58.57 2h0r s TYR 75 Cb -0.24 -3.06 -0.06 0.00 -1.52 0.00 0.00 41.96 37.08 2h0r s TYR 75 CO 0.07 -0.10 0.42 -1.01 0.02 0.00 0.00 175.55 174.95 2h0r s HIS 76 N 1.48 3.47 0.14 2.71 3.76 -1.26 -0.84 115.29 124.74 2h0r s HIS 76 Ca 0.46 0.64 -0.31 0.00 -0.15 0.00 0.00 55.06 55.69 2h0r s HIS 76 Cb -0.19 -2.07 -0.08 0.00 1.11 0.00 0.00 32.58 31.35 2h0r s HIS 76 CO 0.20 0.40 1.40 0.45 -0.85 0.00 0.00 174.74 176.35 2h0r s SER 77 N -2.39 6.79 0.00 1.40 0.15 -1.02 -4.91 113.70 113.72 2h0r s SER 77 Ca 0.42 2.40 0.14 0.00 0.70 0.00 0.00 55.95 59.61 2h0r s SER 77 Cb -0.12 -2.59 0.58 0.00 -1.71 0.00 0.00 66.02 62.18 2h0r s SER 77 CO 0.24 -0.66 1.41 -0.81 1.20 0.00 0.00 173.24 174.62 2h0r n PRO 78 N 3.66 1.49 -2.88 5.44 -0.04 -1.26 -4.79 135.00 136.62 2h0r n PRO 78 Ca 0.11 -0.75 -0.42 0.00 -0.04 0.00 0.00 63.50 62.40 2h0r n PRO 78 Cb 0.42 -1.28 -0.04 0.00 -0.04 0.00 0.00 33.50 32.56 2h0r n PRO 78 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2h0r s ARG 79 N -1.79 4.16 0.15 0.54 6.06 -1.26 -5.03 118.95 121.78 2h0r s ARG 79 Ca 0.24 0.92 -0.34 0.00 -2.50 0.00 0.00 55.73 54.05 2h0r s ARG 79 Cb 0.12 -3.66 -0.14 0.00 0.06 0.00 0.00 34.95 31.33 2h0r s ARG 79 CO 0.18 -0.55 1.49 -2.30 -2.50 0.00 0.00 175.30 171.62 2h0r n PRO 80 N 6.06 1.88 0.00 5.12 -0.02 -1.26 -3.99 135.00 142.79 2h0r n PRO 80 Ca 0.06 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2h0r n PRO 80 Cb 0.47 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 2h0r n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h0r n GLY 81 N 3.02 0.97 2.62 -1.23 0.00 -1.26 -5.01 105.19 104.30 2h0r n GLY 81 Ca 0.17 -0.89 -0.45 0.00 0.00 0.00 0.00 46.02 44.84 2h0r n GLY 81 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2h0r n ASP 82 N 0.00 0.29 0.00 1.61 2.03 -1.26 -4.89 116.55 114.34 2h0r n ASP 82 Ca 0.00 0.86 0.00 0.00 0.52 0.00 0.00 54.79 56.17 2h0r n ASP 82 Cb 0.00 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 39.74 2h0r n ASP 82 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2h0r n ASP 83 N 1.71 0.25 -4.36 1.67 5.68 -1.26 -4.58 116.55 115.65 2h0r n ASP 83 Ca 0.17 -0.47 -0.33 0.00 -0.50 0.00 0.00 54.79 53.66 2h0r n ASP 83 Cb 0.02 0.99 0.11 0.00 -1.14 0.00 0.00 41.12 41.11 2h0r n ASP 83 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2h0r n SER 84 N -1.02 -2.61 -4.38 -1.12 3.41 -1.26 -3.82 113.62 102.82 2h0r n SER 84 Ca 0.00 0.31 -0.19 0.00 -0.26 0.00 0.00 58.87 58.73 2h0r n SER 84 Cb 0.00 -1.15 -0.10 0.00 -0.26 0.00 0.00 64.21 62.70 2h0r n SER 84 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2h0r s THR 85 N -2.34 1.35 0.11 6.66 -4.23 -1.26 -2.43 115.64 113.50 2h0r s THR 85 Ca 0.55 -2.08 0.05 0.00 -1.18 0.00 0.00 61.69 59.03 2h0r s THR 85 Cb -0.21 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 2h0r s THR 85 CO 0.70 -0.33 -0.12 -1.10 -0.54 0.00 0.00 174.62 173.22 2h0r s GLN 86 N -3.79 0.96 -0.13 3.99 -0.21 -0.02 -4.94 119.66 115.52 2h0r s GLN 86 Ca 0.28 -1.21 -0.16 0.00 0.02 0.00 0.00 55.36 54.29 2h0r s GLN 86 Cb 0.05 -0.76 -0.05 0.00 1.00 0.00 0.00 33.01 33.25 2h0r s GLN 86 CO 0.10 0.14 0.39 -2.00 -2.12 0.00 0.00 175.29 171.79 2h0r s GLU 87 N -2.73 4.26 0.11 2.91 2.56 -1.26 0.12 118.70 124.66 2h0r s GLU 87 Ca 0.08 0.28 0.02 0.00 0.00 0.00 0.00 54.97 55.35 2h0r s GLU 87 Cb -0.04 -3.41 -0.04 0.00 2.00 0.00 0.00 34.13 32.64 2h0r s GLU 87 CO 0.02 0.24 -0.08 0.20 -0.56 0.00 0.00 175.26 175.09 2h0r s GLY 88 N 0.40 0.83 -0.21 -1.50 0.00 0.47 -4.96 107.32 102.35 2h0r s GLY 88 Ca 0.21 -1.34 -0.14 0.00 0.00 0.00 0.00 44.72 43.45 2h0r s GLY 88 CO 0.08 -1.44 0.33 -0.42 0.00 0.00 0.00 173.10 171.64 2h0r s ILE 89 N -3.38 5.25 -0.36 0.90 -1.09 -1.26 -0.20 121.20 121.06 2h0r s ILE 89 Ca 0.11 0.55 -0.29 0.00 -2.23 0.00 0.00 60.65 58.80 2h0r s ILE 89 Cb 0.03 -3.66 0.02 0.00 -1.58 0.00 0.00 42.46 37.27 2h0r s ILE 89 CO -0.03 0.28 1.14 -0.76 -1.23 0.00 0.00 174.94 174.34 2h0r s LEU 90 N 1.23 3.84 0.70 2.97 1.43 -0.88 -4.94 118.68 123.02 2h0r s LEU 90 Ca 0.16 0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 54.07 2h0r s LEU 90 Cb -0.14 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.54 2h0r s LEU 90 CO 0.07 -1.03 1.08 0.26 0.23 0.00 0.00 176.35 176.96 2h0r s TRP 91 N 4.04 3.31 0.75 0.29 0.52 0.13 -0.51 118.94 127.47 2h0r s TRP 91 Ca 0.49 1.15 -0.11 0.00 0.02 0.00 0.00 56.10 57.64 2h0r s TRP 91 Cb -0.12 -2.98 0.04 0.00 -1.15 0.00 0.00 33.47 29.26 2h0r s TRP 91 CO 0.21 -1.15 1.09 -2.14 0.02 0.00 0.00 176.95 174.99 2h0r s PRO 92 N -5.26 2.52 -0.05 4.98 0.02 -1.26 -1.15 135.00 134.79 2h0r s PRO 92 Ca 0.58 0.60 -0.38 0.00 0.02 0.00 0.00 61.00 61.82 2h0r s PRO 92 Cb -0.12 -1.97 -0.16 0.00 0.02 0.00 0.00 34.50 32.27 2h0r s PRO 92 CO 0.53 -1.30 1.53 0.28 -0.33 0.00 0.00 177.00 177.71 2h0r n VAL 93 N -3.21 0.15 -3.61 3.83 0.31 -1.26 -4.85 118.33 109.68 2h0r n VAL 93 Ca 0.07 -0.03 -0.16 0.00 -0.01 0.00 0.00 64.34 64.22 2h0r n VAL 93 Cb 0.56 -1.07 -0.07 0.00 -0.91 0.00 0.00 33.84 32.35 2h0r n VAL 93 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 2h0r s HIS 94 N 1.84 -0.56 -1.89 3.52 -3.43 -1.26 -4.80 115.29 108.71 2h0r s HIS 94 Ca 0.90 1.09 0.00 0.00 -0.80 0.00 0.00 55.06 56.25 2h0r s HIS 94 Cb -0.97 0.29 0.00 0.00 -1.43 0.00 0.00 32.58 30.48 2h0r s HIS 94 CO 0.53 -0.48 0.00 0.00 -2.00 0.00 0.00 174.74 172.79 2h0r n VAL 96 N -3.60 0.12 -1.56 0.00 0.31 -1.26 -2.65 118.33 109.70 2h0r n VAL 96 Ca -0.24 -0.02 -0.52 0.00 -0.01 0.00 0.00 64.34 63.55 2h0r n VAL 96 Cb 0.69 -1.36 -0.06 0.00 -0.91 0.00 0.00 33.84 32.20 2h0r n VAL 96 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2h0r n LYS 97 N 3.86 0.85 -1.86 5.55 2.85 0.18 -1.21 118.16 128.38 2h0r n LYS 97 Ca 0.19 0.30 -0.17 0.00 -1.05 0.00 0.00 58.31 57.59 2h0r n LYS 97 Cb 0.25 -1.84 -0.05 0.00 -0.65 0.00 0.00 35.03 32.74 2h0r n LYS 97 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2h0r n ASN 98 N 2.12 -4.69 -4.98 -5.58 4.13 -1.26 -4.96 115.26 100.04 2h0r n ASN 98 Ca 0.18 0.29 -0.21 0.00 1.68 0.00 0.00 54.58 56.52 2h0r n ASN 98 Cb 0.19 -4.11 0.03 0.00 -1.54 0.00 0.00 39.78 34.35 2h0r n ASN 98 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2h0r s THR 99 N -2.60 2.86 0.09 3.41 -4.23 -0.35 -5.03 115.64 109.79 2h0r s THR 99 Ca 0.00 -0.69 -0.32 0.00 -1.18 0.00 0.00 61.69 59.49 2h0r s THR 99 Cb 0.00 -3.05 -0.14 0.00 1.34 0.00 0.00 72.50 70.65 2h0r s THR 99 CO 0.00 -0.03 1.59 -0.25 -0.54 0.00 0.00 174.62 175.39 2h0r h TRP 100 N 0.18 -1.12 -0.94 3.99 7.01 -1.94 -3.09 115.95 120.04 2h0r h TRP 100 Ca -0.42 0.01 0.27 0.00 2.11 0.00 0.00 58.89 60.85 2h0r h TRP 100 Cb 1.29 0.44 -0.17 0.00 -2.10 0.00 0.00 29.16 28.62 2h0r h TRP 100 CO 0.38 -0.56 0.12 0.78 -2.79 0.00 0.00 178.44 176.37 2h0r h GLY 101 N -0.81 1.32 2.00 2.65 0.00 -1.95 0.19 103.07 106.48 2h0r h GLY 101 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2h0r h GLY 101 CO -0.09 -0.49 0.00 -1.14 0.00 0.00 0.00 176.54 174.83 2h0r n SER 102 N -5.40 0.43 -4.78 0.19 3.41 -1.17 -1.46 113.62 104.85 2h0r n SER 102 Ca 0.23 0.66 -0.31 0.00 -0.26 0.00 0.00 58.87 59.19 2h0r n SER 102 Cb 0.76 -0.73 0.09 0.00 -0.26 0.00 0.00 64.21 64.08 2h0r n SER 102 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2h0r s GLN 103 N -3.32 2.17 0.18 4.33 -0.21 0.66 -4.84 119.66 118.64 2h0r s GLN 103 Ca 0.01 0.94 -0.23 0.00 0.02 0.00 0.00 55.36 56.10 2h0r s GLN 103 Cb 0.06 -1.90 -0.08 0.00 1.00 0.00 0.00 33.01 32.09 2h0r s GLN 103 CO 0.23 -1.64 0.75 -0.51 -2.12 0.00 0.00 175.29 172.00 2h0r s LEU 104 N -5.87 4.50 0.01 2.90 1.43 -1.26 -1.72 118.68 118.67 2h0r s LEU 104 Ca 0.61 1.55 -0.39 0.00 -1.03 0.00 0.00 54.13 54.87 2h0r s LEU 104 Cb -0.16 -3.38 -0.19 0.00 0.03 0.00 0.00 46.19 42.49 2h0r s LEU 104 CO 0.56 0.15 1.18 1.33 0.23 0.00 0.00 176.35 179.80 2h0r n VAL 105 N 1.28 0.00 -0.33 -1.59 0.24 -0.82 -4.33 118.33 112.79 2h0r n VAL 105 Ca -0.05 -0.00 0.27 0.00 -2.04 0.00 0.00 64.34 62.52 2h0r n VAL 105 Cb 0.50 -0.30 0.50 0.00 -1.47 0.00 0.00 33.84 33.07 2h0r n VAL 105 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2h0r h ASP 106 N 3.62 0.20 0.32 -1.34 5.19 -1.93 0.77 116.42 123.25 2h0r h ASP 106 Ca -0.50 0.25 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 2h0r h ASP 106 Cb 1.40 0.28 -0.03 0.00 0.18 0.00 0.00 39.33 41.16 2h0r h ASP 106 CO 0.70 -0.35 -0.39 -0.61 -3.12 0.00 0.00 179.24 175.47 2h0r h GLN 107 N 0.07 -0.73 -0.43 3.56 5.75 -1.98 0.13 115.11 121.48 2h0r h GLN 107 Ca 0.77 0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 59.27 2h0r h GLN 107 Cb 1.91 0.17 -0.02 0.00 1.07 0.00 0.00 27.48 30.61 2h0r h GLN 107 CO -0.76 -0.49 0.06 0.82 -2.65 0.00 0.00 178.83 175.82 2h0r h ILE 108 N -0.76 1.25 -0.65 2.39 1.08 -1.21 -1.70 117.51 117.91 2h0r h ILE 108 Ca -0.02 -0.91 0.11 0.00 -0.39 0.00 0.00 64.86 63.66 2h0r h ILE 108 Cb 0.70 1.00 -0.08 0.00 -3.07 0.00 0.00 36.82 35.37 2h0r h ILE 108 CO -0.10 0.31 0.23 -0.03 -0.69 0.00 0.00 178.15 177.87 2h0r h MET 109 N 0.58 0.38 -0.52 2.37 4.05 -1.19 0.65 114.93 121.24 2h0r h MET 109 Ca 0.13 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.43 2h0r h MET 109 Cb 0.39 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 2h0r h MET 109 CO 0.01 0.25 -0.07 0.22 0.23 0.00 0.00 176.91 177.55 2h0r h ASP 110 N 0.39 0.93 -0.10 1.39 1.82 -0.49 0.71 116.42 121.06 2h0r h ASP 110 Ca 0.34 -0.28 -0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2h0r h ASP 110 Cb 0.46 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 40.22 2h0r h ASP 110 CO -0.35 1.03 0.05 -0.61 -1.61 0.00 0.00 179.24 177.74 2h0r h GLN 111 N 0.85 0.15 -0.91 0.28 5.75 -0.66 -1.57 115.11 118.99 2h0r h GLN 111 Ca 0.14 -0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.70 2h0r h GLN 111 Cb 0.60 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.06 2h0r h GLN 111 CO 0.04 0.21 0.59 0.28 -2.65 0.00 0.00 178.83 177.30 2h0r h VAL 112 N 0.04 1.04 0.00 2.39 2.07 0.77 -1.69 116.25 120.88 2h0r h VAL 112 Ca 0.04 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2h0r h VAL 112 Cb 0.11 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2h0r h VAL 112 CO -0.00 0.18 -0.12 0.58 0.02 0.00 0.00 177.57 178.22 2h0r h VAL 113 N 1.00 1.62 -0.66 2.57 2.07 -0.79 -0.82 116.25 121.24 2h0r h VAL 113 Ca 0.40 -1.99 -0.07 0.00 0.82 0.00 0.00 66.70 65.86 2h0r h VAL 113 Cb 0.26 2.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.94 2h0r h VAL 113 CO -0.16 0.53 0.12 0.71 0.02 0.00 0.00 177.57 178.79 2h0r h THR 114 N -0.70 1.26 -0.60 2.57 1.35 -1.20 -3.12 112.91 112.47 2h0r h THR 114 Ca -0.02 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 2h0r h THR 114 Cb 0.94 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 2h0r h THR 114 CO 0.02 0.38 0.00 0.29 -0.25 0.00 0.00 175.52 175.96 2h0r n LYS 115 N -4.22 3.53 -3.94 4.72 5.02 -0.64 -4.97 118.16 117.66 2h0r n LYS 115 Ca 0.05 -2.65 -0.37 0.00 -2.02 0.00 0.00 58.31 53.32 2h0r n LYS 115 Cb 0.28 -1.85 0.01 0.00 -0.02 0.00 0.00 35.03 33.45 2h0r n LYS 115 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2h0r n HIS 116 N 1.04 -1.60 -3.20 2.13 8.25 -0.88 -4.92 115.22 116.04 2h0r n HIS 116 Ca 0.24 0.35 -0.39 0.00 -0.26 0.00 0.00 57.72 57.66 2h0r n HIS 116 Cb 0.83 -3.16 -0.06 0.00 1.12 0.00 0.00 29.99 28.73 2h0r n HIS 116 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2h0r s ILE 117 N -3.65 4.80 0.03 1.59 1.01 -0.37 -5.01 121.20 119.61 2h0r s ILE 117 Ca 0.37 1.29 -0.30 0.00 0.00 0.00 0.00 60.65 62.02 2h0r s ILE 117 Cb -0.17 -3.95 -0.08 0.00 0.01 0.00 0.00 42.46 38.27 2h0r s ILE 117 CO 0.92 0.47 1.85 -0.75 0.00 0.00 0.00 174.94 177.43 2h0r s LYS 118 N -0.57 4.15 -0.01 2.79 2.47 -1.25 -4.90 119.74 122.43 2h0r s LYS 118 Ca 0.31 2.49 -0.16 0.00 -1.56 0.00 0.00 55.97 57.06 2h0r s LYS 118 Cb -0.19 -3.98 -0.06 0.00 -1.46 0.00 0.00 37.83 32.15 2h0r s LYS 118 CO 0.19 -0.89 0.43 0.42 0.16 0.00 0.00 175.35 175.66 2h0r s ILE 119 N 3.91 5.02 -0.16 5.43 1.09 -1.26 -1.82 121.20 133.41 2h0r s ILE 119 Ca 0.83 0.89 -0.00 0.00 -1.10 0.00 0.00 60.65 61.26 2h0r s ILE 119 Cb -0.41 -3.74 0.03 0.00 -1.06 0.00 0.00 42.46 37.28 2h0r s ILE 119 CO 0.37 0.54 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.98 2h0r s VAL 120 N -0.85 1.26 0.04 2.92 1.01 -0.50 -4.98 120.40 119.30 2h0r s VAL 120 Ca 0.24 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 2h0r s VAL 120 Cb -0.17 -1.34 -0.06 0.00 0.00 0.00 0.00 36.38 34.81 2h0r s VAL 120 CO 0.13 0.24 0.47 -1.81 0.00 0.00 0.00 175.10 174.13 2h0r s ASP 121 N 1.58 6.88 0.13 3.32 1.01 -1.26 -1.73 116.67 126.60 2h0r s ASP 121 Ca 0.02 1.06 0.06 0.00 0.71 0.00 0.00 52.55 54.39 2h0r s ASP 121 Cb -0.14 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 2h0r s ASP 121 CO -0.08 0.29 -0.14 -1.59 0.21 0.00 0.00 175.17 173.86 2h0r s LYS 122 N -1.20 1.04 0.00 8.23 -2.85 -0.90 -4.83 119.74 119.24 2h0r s LYS 122 Ca 0.27 -1.27 0.00 0.00 -1.00 0.00 0.00 55.97 53.97 2h0r s LYS 122 Cb -0.17 -0.88 0.00 0.00 -2.06 0.00 0.00 37.83 34.71 2h0r s LYS 122 CO 0.16 0.16 0.00 0.41 0.10 0.00 0.00 175.35 176.18 2h0r n GLY 123 N 0.43 0.75 0.37 0.59 0.00 -1.26 0.15 105.19 106.22 2h0r n GLY 123 Ca -0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.91 2h0r n GLY 123 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2h0r h PHE 124 N 0.00 1.13 -3.36 1.61 3.57 -1.88 -3.34 116.94 114.68 2h0r h PHE 124 Ca 0.00 0.03 -0.55 0.00 3.53 0.00 0.00 57.97 60.98 2h0r h PHE 124 Cb 0.00 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.34 2h0r h PHE 124 CO 0.00 0.59 0.39 -0.51 -2.23 0.00 0.00 178.31 176.55 2h0r s LEU 125 N -10.08 4.32 0.39 0.59 1.43 -1.26 -4.39 118.68 109.67 2h0r s LEU 125 Ca -0.12 1.54 0.06 0.00 -1.03 0.00 0.00 54.13 54.58 2h0r s LEU 125 Cb 0.20 -3.49 0.79 0.00 0.03 0.00 0.00 46.19 43.72 2h0r s LEU 125 CO 0.81 -0.30 2.02 0.74 0.23 0.00 0.00 176.35 179.84 2h0r h THR 126 N 4.90 1.13 -0.06 5.49 2.02 -1.95 -3.22 112.91 121.23 2h0r h THR 126 Ca -0.37 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.48 2h0r h THR 126 Cb 1.19 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2h0r h THR 126 CO 0.79 0.14 0.00 -0.90 0.37 0.00 0.00 175.52 175.92 2h0r n ASP 127 N -4.43 1.98 -3.81 4.18 3.85 -1.26 -1.80 116.55 115.25 2h0r n ASP 127 Ca 0.03 -1.67 -0.12 0.00 -0.71 0.00 0.00 54.79 52.32 2h0r n ASP 127 Cb 0.10 -0.03 -0.10 0.00 -1.35 0.00 0.00 41.12 39.74 2h0r n ASP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2h0r s ARG 128 N -1.95 0.43 -0.10 0.11 1.70 -1.22 -4.90 118.95 113.02 2h0r s ARG 128 Ca 0.35 -0.02 -0.20 0.00 -0.47 0.00 0.00 55.73 55.39 2h0r s ARG 128 Cb 0.20 0.19 -0.04 0.00 -0.57 0.00 0.00 34.95 34.74 2h0r s ARG 128 CO 0.32 -0.09 0.55 -2.00 -1.08 0.00 0.00 175.30 172.99 2h0r s GLU 129 N -0.69 4.37 0.02 3.89 2.56 -1.26 -4.78 118.70 122.81 2h0r s GLU 129 Ca -0.08 0.59 0.01 0.00 0.00 0.00 0.00 54.97 55.49 2h0r s GLU 129 Cb -0.04 -3.44 -0.04 0.00 2.00 0.00 0.00 34.13 32.61 2h0r s GLU 129 CO 0.02 0.13 0.07 0.71 -0.56 0.00 0.00 175.26 175.63 2h0r s TYR 130 N 0.67 3.24 0.07 5.30 1.51 -1.26 -2.29 117.35 124.59 2h0r s TYR 130 Ca 0.30 0.16 0.00 0.00 -1.01 0.00 0.00 57.07 56.51 2h0r s TYR 130 Cb -0.16 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 39.99 2h0r s TYR 130 CO 0.13 0.53 0.00 0.66 -1.11 0.00 0.00 175.55 175.76 2h0r n TYR 131 N 0.98 -0.15 -1.68 2.71 4.01 -1.26 -4.90 117.16 116.87 2h0r n TYR 131 Ca -0.12 0.03 -0.37 0.00 -0.16 0.00 0.00 57.90 57.28 2h0r n TYR 131 Cb 0.52 0.05 0.07 0.00 -0.31 0.00 0.00 39.34 39.68 2h0r n TYR 131 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2h0r s SER 132 N -5.52 4.49 -0.01 7.72 0.15 -1.26 -4.31 113.70 114.96 2h0r s SER 132 Ca 0.00 2.61 0.18 0.00 0.70 0.00 0.00 55.95 59.44 2h0r s SER 132 Cb 0.00 -2.62 0.53 0.00 -1.71 0.00 0.00 66.02 62.22 2h0r s SER 132 CO 0.00 -2.08 1.44 0.00 1.20 0.00 0.00 173.24 173.80 2h0r n ALA 133 N -2.04 2.49 -0.10 5.45 0.00 -1.26 -3.98 120.51 121.06 2h0r n ALA 133 Ca 0.16 -1.07 -0.13 0.00 0.00 0.00 0.00 53.44 52.39 2h0r n ALA 133 Cb 0.48 -0.96 -0.14 0.00 0.00 0.00 0.00 19.45 18.83 2h0r n ALA 133 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2h0r n PHE 134 N 1.18 0.11 -3.66 0.00 3.72 -1.26 -4.64 117.46 112.90 2h0r n PHE 134 Ca 0.20 0.03 -0.02 0.00 -0.05 0.00 0.00 57.45 57.61 2h0r n PHE 134 Cb 0.53 -1.02 -0.01 0.00 -0.94 0.00 0.00 39.48 38.05 2h0r n PHE 134 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 2h0r s HIS 135 N -2.51 -0.11 1.16 1.38 -3.43 -1.26 0.86 115.29 111.39 2h0r s HIS 135 Ca -0.19 -0.08 -0.17 0.00 -0.80 0.00 0.00 55.06 53.82 2h0r s HIS 135 Cb 0.07 0.58 0.26 0.00 -1.43 0.00 0.00 32.58 32.07 2h0r s HIS 135 CO 0.74 -0.51 1.08 0.16 -2.00 0.00 0.00 174.74 174.21 2h0r s ASP 136 N -2.87 1.26 0.04 7.38 3.84 -0.76 -4.25 116.67 121.31 2h0r s ASP 136 Ca 0.12 0.90 0.15 0.00 -0.00 0.00 0.00 52.55 53.73 2h0r s ASP 136 Cb 0.01 -1.35 0.66 0.00 -1.38 0.00 0.00 42.92 40.86 2h0r s ASP 136 CO -0.02 -3.94 1.49 2.30 -0.00 0.00 0.00 175.17 175.00 2h0r n ILE 137 N -4.68 1.00 0.01 2.11 -5.35 -0.97 -1.83 119.36 109.66 2h0r n ILE 137 Ca 0.09 0.26 0.09 0.00 -0.27 0.00 0.00 62.75 62.92 2h0r n ILE 137 Cb 0.58 -1.04 -0.12 0.00 -1.74 0.00 0.00 39.64 37.32 2h0r n ILE 137 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 2h0r n TRP 138 N -1.61 0.31 -1.04 4.28 7.02 -1.26 -4.98 117.44 120.16 2h0r n TRP 138 Ca 0.03 0.09 -0.01 0.00 -1.02 0.00 0.00 57.50 56.59 2h0r n TRP 138 Cb 0.17 -0.69 -0.01 0.00 -2.42 0.00 0.00 31.31 28.36 2h0r n TRP 138 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2h0r n ASN 139 N -2.44 -3.23 0.00 -0.99 2.85 -0.76 -4.99 115.26 105.69 2h0r n ASN 139 Ca -0.06 0.04 -0.00 0.00 -0.11 0.00 0.00 54.58 54.45 2h0r n ASN 139 Cb 0.63 -0.86 -0.00 0.00 1.24 0.00 0.00 39.78 40.79 2h0r n ASN 139 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 2h0r h PHE 140 N 0.00 -0.00 -3.51 1.20 0.05 -1.94 -3.44 116.94 109.30 2h0r h PHE 140 Ca -0.03 -0.00 -0.59 0.00 3.82 0.00 0.00 57.97 61.17 2h0r h PHE 140 Cb 0.11 0.00 -0.09 0.00 2.00 0.00 0.00 35.95 37.97 2h0r h PHE 140 CO 0.05 -0.00 0.59 -1.58 -0.18 0.00 0.00 178.31 177.19 2h0r s HIS 141 N -1.47 3.06 0.24 -0.55 2.46 -1.26 -4.94 115.29 112.83 2h0r s HIS 141 Ca -0.00 0.72 -0.20 0.00 0.47 0.00 0.00 55.06 56.05 2h0r s HIS 141 Cb 0.00 -3.67 -0.08 0.00 -0.13 0.00 0.00 32.58 28.70 2h0r s HIS 141 CO 0.00 -0.85 0.75 0.15 -2.47 0.00 0.00 174.74 172.32 2h0r s LYS 142 N 3.48 4.27 0.44 2.88 3.01 -1.26 -1.83 119.74 130.73 2h0r s LYS 142 Ca 0.38 0.91 -0.07 0.00 -1.01 0.00 0.00 55.97 56.17 2h0r s LYS 142 Cb -0.12 -2.83 0.10 0.00 -1.01 0.00 0.00 37.83 33.97 2h0r s LYS 142 CO 0.19 0.36 0.60 0.25 0.51 0.00 0.00 175.35 177.26 2h0r n THR 143 N 0.61 0.00 -0.53 2.17 -2.24 0.25 -4.90 114.28 109.64 2h0r n THR 143 Ca -0.01 -0.49 0.07 0.00 -2.27 0.00 0.00 64.05 61.34 2h0r n THR 143 Cb 0.51 -1.69 0.34 0.00 -2.10 0.00 0.00 70.33 67.40 2h0r n THR 143 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2h0r n ASP 144 N -3.34 4.78 0.45 3.42 3.85 -1.26 -4.51 116.55 119.94 2h0r n ASP 144 Ca 0.08 -2.63 -0.19 0.00 -0.71 0.00 0.00 54.79 51.34 2h0r n ASP 144 Cb 0.27 -0.61 -0.09 0.00 -1.35 0.00 0.00 41.12 39.34 2h0r n ASP 144 CO 0.00 0.00 0.00 -0.03 -1.01 0.00 0.00 177.20 176.16 2h0r h MET 145 N 3.57 -1.14 -0.29 0.11 4.05 -1.85 -2.30 114.93 117.08 2h0r h MET 145 Ca 0.00 0.08 0.01 0.00 -0.28 0.00 0.00 59.70 59.51 2h0r h MET 145 Cb 1.59 0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 32.64 2h0r h MET 145 CO 0.34 -0.76 0.19 -0.97 0.23 0.00 0.00 176.91 175.93 2h0r h ASN 146 N -1.19 0.30 0.02 1.39 -1.24 -1.89 -1.59 115.58 111.39 2h0r h ASN 146 Ca -0.12 -0.01 -0.16 0.00 0.71 0.00 0.00 56.30 56.72 2h0r h ASN 146 Cb 0.92 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.89 2h0r h ASN 146 CO 0.17 0.22 -0.55 0.11 -1.29 0.00 0.00 177.43 176.08 2h0r h LYS 147 N 0.36 0.57 0.49 6.67 1.79 -1.85 -2.61 116.57 121.99 2h0r h LYS 147 Ca 0.11 -0.36 -0.02 0.00 -2.18 0.00 0.00 60.65 58.19 2h0r h LYS 147 Cb 0.00 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2h0r h LYS 147 CO -0.02 0.97 -0.24 -0.92 -1.08 0.00 0.00 179.45 178.16 2h0r h TYR 148 N 0.44 -0.61 -0.87 -1.35 5.03 -0.72 -2.73 116.97 116.15 2h0r h TYR 148 Ca 0.01 -0.01 0.23 0.00 2.58 0.00 0.00 58.73 61.53 2h0r h TYR 148 Cb 1.10 0.20 -0.14 0.00 1.55 0.00 0.00 36.73 39.45 2h0r h TYR 148 CO 0.05 -0.32 0.25 -0.07 -1.32 0.00 0.00 178.16 176.75 2h0r h LEU 149 N -0.81 0.04 -0.36 2.82 3.38 -1.39 -1.60 115.31 117.40 2h0r h LEU 149 Ca -0.07 0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 2h0r h LEU 149 Cb 0.57 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2h0r h LEU 149 CO 0.11 -0.13 -0.16 -0.33 0.09 0.00 0.00 178.44 178.02 2h0r h GLU 150 N 0.23 0.74 0.00 1.13 5.08 -1.44 -1.81 114.58 118.52 2h0r h GLU 150 Ca 0.55 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2h0r h GLU 150 Cb 1.10 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2h0r h GLU 150 CO -0.63 0.93 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.08 2h0r h LYS 151 N 0.53 0.00 -0.38 2.33 3.64 -0.97 -0.21 116.57 121.51 2h0r h LYS 151 Ca 0.08 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.25 2h0r h LYS 151 Cb 0.70 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.39 2h0r h LYS 151 CO 0.05 0.00 -0.14 0.72 -2.27 0.00 0.00 179.45 177.82 2h0r n HIS 152 N -3.39 1.20 -2.42 1.91 8.25 -1.06 -4.99 115.22 114.73 2h0r n HIS 152 Ca -0.03 -1.70 -0.10 0.00 -0.26 0.00 0.00 57.72 55.62 2h0r n HIS 152 Cb 0.08 -0.50 -0.01 0.00 1.12 0.00 0.00 29.99 30.68 2h0r n HIS 152 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2h0r n HIS 153 N -1.09 -1.48 -1.71 4.41 8.25 -0.09 -4.81 115.22 118.70 2h0r n HIS 153 Ca 0.34 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.38 2h0r n HIS 153 Cb 1.00 -2.46 -0.03 0.00 1.12 0.00 0.00 29.99 29.62 2h0r n HIS 153 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2h0r n THR 154 N -3.19 0.15 0.00 1.59 -1.04 -0.70 -3.16 114.28 107.91 2h0r n THR 154 Ca -0.12 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 2h0r n THR 154 Cb 0.58 -2.03 0.00 0.00 -1.82 0.00 0.00 70.33 67.07 2h0r n THR 154 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2h0r n ASP 155 N 4.62 1.02 -4.05 8.00 3.85 -0.75 -4.84 116.55 124.40 2h0r n ASP 155 Ca 0.17 -0.28 -0.19 0.00 -0.71 0.00 0.00 54.79 53.78 2h0r n ASP 155 Cb 0.36 0.75 -0.15 0.00 -1.35 0.00 0.00 41.12 40.74 2h0r n ASP 155 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 2h0r s GLU 156 N -0.96 0.82 -0.05 0.11 -1.05 -1.13 -1.49 118.70 114.95 2h0r s GLU 156 Ca 0.00 -0.41 0.03 0.00 -0.15 0.00 0.00 54.97 54.45 2h0r s GLU 156 Cb 0.00 -0.79 0.00 0.00 -0.44 0.00 0.00 34.13 32.90 2h0r s GLU 156 CO 0.00 0.21 -0.15 0.08 0.95 0.00 0.00 175.26 176.35 2h0r s VAL 157 N -0.32 1.33 -0.13 1.83 1.01 0.22 -1.51 120.40 122.83 2h0r s VAL 157 Ca 0.03 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.41 2h0r s VAL 157 Cb -0.04 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.18 2h0r s VAL 157 CO -0.00 0.39 -0.22 -0.31 0.00 0.00 0.00 175.10 174.96 2h0r s TYR 158 N 0.28 2.65 -0.22 5.22 2.02 0.81 -0.70 117.35 127.42 2h0r s TYR 158 Ca -0.09 -1.24 -0.00 0.00 -0.37 0.00 0.00 57.07 55.38 2h0r s TYR 158 Cb -0.13 -1.79 0.03 0.00 -0.40 0.00 0.00 41.96 39.66 2h0r s TYR 158 CO 0.03 -0.55 -0.12 0.42 -1.57 0.00 0.00 175.55 173.76 2h0r s ILE 159 N 0.68 2.48 0.15 2.71 1.01 -0.05 0.42 121.20 128.61 2h0r s ILE 159 Ca -0.10 -1.06 0.06 0.00 0.00 0.00 0.00 60.65 59.56 2h0r s ILE 159 Cb -0.16 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 2h0r s ILE 159 CO 0.01 0.31 -0.14 0.68 0.00 0.00 0.00 174.94 175.80 2h0r s VAL 160 N 1.29 1.43 -0.30 2.92 -7.23 -0.64 -3.62 120.40 114.25 2h0r s VAL 160 Ca 0.01 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 2h0r s VAL 160 Cb -0.16 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.05 2h0r s VAL 160 CO -0.08 -0.51 0.00 0.61 -0.31 0.00 0.00 175.10 174.81 2h0r n GLY 161 N 0.18 0.18 3.27 2.32 0.00 -0.10 0.38 105.19 111.41 2h0r n GLY 161 Ca -0.13 -1.85 -0.18 0.00 0.00 0.00 0.00 46.02 43.86 2h0r n GLY 161 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2h0r s VAL 162 N -0.62 1.45 -0.11 1.61 -7.23 -0.45 -3.16 120.40 111.88 2h0r s VAL 162 Ca 0.00 -1.85 -0.06 0.00 -1.81 0.00 0.00 61.98 58.26 2h0r s VAL 162 Cb 0.00 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 2h0r s VAL 162 CO 0.00 -0.46 0.11 0.00 -0.31 0.00 0.00 175.10 174.44 2h0r s ALA 163 N -2.35 3.73 0.20 1.32 0.00 -1.26 -4.24 121.76 119.16 2h0r s ALA 163 Ca 0.13 -0.68 -0.20 0.00 0.00 0.00 0.00 51.96 51.21 2h0r s ALA 163 Cb -0.04 -1.86 0.15 0.00 0.00 0.00 0.00 23.12 21.38 2h0r s ALA 163 CO 0.04 0.60 1.58 1.25 0.00 0.00 0.00 175.76 179.23 2h0r h LEU 164 N 5.07 -1.16 -0.03 0.00 5.85 -1.62 -0.83 115.31 122.60 2h0r h LEU 164 Ca -0.54 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2h0r h LEU 164 Cb 1.22 0.59 0.00 0.00 0.37 0.00 0.00 40.66 42.84 2h0r h LEU 164 CO 0.58 -0.30 0.00 -1.84 -0.34 0.00 0.00 178.44 176.54 2h0r n GLU 165 N -5.44 0.11 0.00 1.25 0.00 -1.26 -1.65 120.64 113.65 2h0r n GLU 165 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 57.16 57.33 2h0r n GLU 165 Cb 0.36 -1.64 0.00 0.00 0.00 0.00 0.00 31.44 30.17 2h0r n GLU 165 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2h0r n TYR 166 N -1.83 0.00 -0.19 -1.84 4.01 -0.37 -4.68 117.16 112.26 2h0r n TYR 166 Ca 0.06 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.79 2h0r n TYR 166 Cb 0.36 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.49 2h0r n TYR 166 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2h0r h VAL 168 N 0.42 0.55 0.04 0.00 2.07 -1.61 0.21 116.25 117.92 2h0r h VAL 168 Ca 0.29 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.84 2h0r h VAL 168 Cb 0.34 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 2h0r h VAL 168 CO -0.28 0.00 -0.26 0.50 0.02 0.00 0.00 177.57 177.55 2h0r h LYS 169 N -0.46 -0.41 -0.51 1.57 3.64 -0.65 -0.80 116.57 118.96 2h0r h LYS 169 Ca -0.00 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 2h0r h LYS 169 Cb 0.42 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2h0r h LYS 169 CO -0.04 -0.27 -0.04 0.00 -2.27 0.00 0.00 179.45 176.83 2h0r h ALA 170 N 0.37 0.97 -0.57 5.00 0.00 -0.95 -0.22 119.26 123.85 2h0r h ALA 170 Ca 0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2h0r h ALA 170 Cb 0.49 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2h0r h ALA 170 CO -0.20 0.62 0.22 1.15 0.00 0.00 0.00 179.25 181.04 2h0r h THR 171 N 0.81 1.22 0.12 0.00 2.02 -0.40 -1.35 112.91 115.34 2h0r h THR 171 Ca 0.15 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 2h0r h THR 171 Cb 0.55 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2h0r h THR 171 CO 0.03 0.27 -0.06 0.00 0.37 0.00 0.00 175.52 176.13 2h0r h ALA 172 N 1.07 -0.16 -0.30 6.16 0.00 -0.68 -0.63 119.26 124.72 2h0r h ALA 172 Ca 0.19 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2h0r h ALA 172 Cb 0.21 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 2h0r h ALA 172 CO -0.01 -0.57 -0.18 0.82 0.00 0.00 0.00 179.25 179.31 2h0r h ILE 173 N -0.21 0.49 0.03 0.00 2.04 -0.94 -1.51 117.51 117.42 2h0r h ILE 173 Ca -0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.87 2h0r h ILE 173 Cb 0.16 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 2h0r h ILE 173 CO 0.03 0.00 -0.22 0.28 0.00 0.00 0.00 178.15 178.23 2h0r h SER 174 N -0.14 -0.65 -0.67 1.72 0.02 -1.05 -1.82 113.55 110.96 2h0r h SER 174 Ca 0.16 0.09 0.10 0.00 -0.84 0.00 0.00 61.79 61.29 2h0r h SER 174 Cb 0.38 0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 2h0r h SER 174 CO -0.39 -0.29 0.45 0.00 -1.14 0.00 0.00 176.83 175.46 2h0r h ALA 175 N 0.48 1.94 0.13 3.77 0.00 -0.76 -2.26 119.26 122.55 2h0r h ALA 175 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2h0r h ALA 175 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2h0r h ALA 175 CO -0.18 -0.08 -0.06 0.00 0.00 0.00 0.00 179.25 178.92 2h0r h ALA 176 N 1.66 -0.18 0.00 0.00 0.00 -0.71 -3.07 119.26 116.96 2h0r h ALA 176 Ca 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2h0r h ALA 176 Cb 0.53 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2h0r h ALA 176 CO -0.10 -0.40 0.00 0.39 0.00 0.00 0.00 179.25 179.14 2h0r n GLU 177 N -4.99 0.48 -0.07 0.00 1.02 -0.74 -2.01 120.64 114.34 2h0r n GLU 177 Ca -0.09 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.12 2h0r n GLU 177 Cb 0.24 -1.12 0.09 0.00 -0.02 0.00 0.00 31.44 30.63 2h0r n GLU 177 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2h0r n LEU 178 N -0.62 2.06 -0.37 -4.62 4.77 -1.15 -5.00 117.00 112.08 2h0r n LEU 178 Ca 0.03 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.43 2h0r n LEU 178 Cb 0.01 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2h0r n LEU 178 CO 0.02 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 2h0r n GLY 179 N -1.05 0.97 3.25 -0.72 0.00 -0.85 -5.09 105.19 101.70 2h0r n GLY 179 Ca 0.10 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 2h0r n GLY 179 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2h0r s TYR 180 N -2.73 1.88 -0.34 1.61 1.51 -1.16 -4.96 117.35 113.15 2h0r s TYR 180 Ca 0.00 -0.37 -0.29 0.00 -1.01 0.00 0.00 57.07 55.40 2h0r s TYR 180 Cb 0.00 -1.15 0.00 0.00 -0.11 0.00 0.00 41.96 40.71 2h0r s TYR 180 CO 0.00 0.06 1.33 0.15 -1.11 0.00 0.00 175.55 175.98 2h0r s LYS 181 N -0.97 3.80 -0.14 -0.62 1.02 -0.56 -4.39 119.74 117.88 2h0r s LYS 181 Ca 0.08 1.12 -0.02 0.00 0.02 0.00 0.00 55.97 57.17 2h0r s LYS 181 Cb -0.09 -3.93 -0.02 0.00 -0.52 0.00 0.00 37.83 33.27 2h0r s LYS 181 CO 0.01 -1.27 -0.08 0.99 -0.92 0.00 0.00 175.35 174.08 2h0r s THR 182 N 4.71 3.54 -0.00 2.17 2.01 -1.26 0.72 115.64 127.52 2h0r s THR 182 Ca 0.57 -0.49 0.07 0.00 0.31 0.00 0.00 61.69 62.15 2h0r s THR 182 Cb -0.15 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 2h0r s THR 182 CO 0.26 0.51 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.61 2h0r s THR 183 N 0.26 1.67 -0.20 -0.82 2.01 0.13 -2.67 115.64 116.01 2h0r s THR 183 Ca -0.06 -0.96 -0.02 0.00 0.31 0.00 0.00 61.69 60.96 2h0r s THR 183 Cb -0.15 -1.40 -0.00 0.00 0.01 0.00 0.00 72.50 70.97 2h0r s THR 183 CO 0.04 0.41 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.60 2h0r s VAL 184 N -0.56 2.98 -0.80 3.82 1.01 -1.17 -0.87 120.40 124.81 2h0r s VAL 184 Ca 0.08 -0.63 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 2h0r s VAL 184 Cb -0.08 -2.33 0.10 0.00 0.00 0.00 0.00 36.38 34.07 2h0r s VAL 184 CO -0.00 0.46 1.06 -0.76 0.00 0.00 0.00 175.10 175.87 2h0r s LEU 185 N 1.33 4.66 0.26 3.92 1.43 -1.24 -3.28 118.68 125.76 2h0r s LEU 185 Ca 0.04 -1.51 -0.03 0.00 -1.03 0.00 0.00 54.13 51.59 2h0r s LEU 185 Cb -0.14 -2.42 0.53 0.00 0.03 0.00 0.00 46.19 44.19 2h0r s LEU 185 CO -0.05 -1.27 1.66 -0.07 0.23 0.00 0.00 176.35 176.85 2h0r h LEU 186 N 10.98 -0.08 -1.81 1.79 3.38 -1.44 0.84 115.31 128.97 2h0r h LEU 186 Ca -0.05 0.17 0.31 0.00 0.09 0.00 0.00 57.88 58.40 2h0r h LEU 186 Cb 1.05 0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 2h0r h LEU 186 CO 1.16 -0.10 0.76 0.44 0.09 0.00 0.00 178.44 180.79 2h0r h ASP 187 N 0.21 0.13 -0.85 -0.43 3.32 -1.80 -0.49 116.42 116.51 2h0r h ASP 187 Ca 0.45 0.02 -0.41 0.00 0.02 0.00 0.00 57.03 57.12 2h0r h ASP 187 Cb 0.83 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.13 2h0r h ASP 187 CO -0.59 0.02 0.47 -1.22 -1.72 0.00 0.00 179.24 176.21 2h0r n TYR 188 N -4.33 2.65 -3.89 4.55 4.02 0.29 -4.92 117.16 115.53 2h0r n TYR 188 Ca 0.24 -1.70 -0.15 0.00 -0.01 0.00 0.00 57.90 56.29 2h0r n TYR 188 Cb 1.09 -0.83 -0.15 0.00 -0.02 0.00 0.00 39.34 39.43 2h0r n TYR 188 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2h0r s THR 189 N -3.24 0.09 -0.15 -0.72 -4.23 -0.19 -0.93 115.64 106.27 2h0r s THR 189 Ca 0.55 0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 61.13 2h0r s THR 189 Cb 0.46 -0.16 -0.01 0.00 1.34 0.00 0.00 72.50 74.12 2h0r s THR 189 CO 0.10 0.09 -0.10 -0.13 -0.54 0.00 0.00 174.62 174.04 2h0r s ARG 190 N 0.72 3.42 0.55 3.99 1.81 -1.19 -4.93 118.95 123.32 2h0r s ARG 190 Ca -0.07 -0.65 -0.17 0.00 -1.72 0.00 0.00 55.73 53.13 2h0r s ARG 190 Cb -0.10 -2.73 -0.06 0.00 -0.45 0.00 0.00 34.95 31.61 2h0r s ARG 190 CO -0.02 0.14 1.03 -1.25 -0.68 0.00 0.00 175.30 174.53 2h0r s PRO 191 N 0.55 3.59 -0.06 3.54 0.04 -1.26 -2.03 135.00 139.37 2h0r s PRO 191 Ca -0.07 1.14 -0.15 0.00 0.04 0.00 0.00 61.00 61.96 2h0r s PRO 191 Cb -0.15 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 2h0r s PRO 191 CO 0.03 -0.58 0.60 0.82 0.04 0.00 0.00 177.00 177.91 2h0r h ILE 192 N 0.74 0.34 -1.91 0.56 2.04 -1.94 -3.40 117.51 113.95 2h0r h ILE 192 Ca -0.47 -0.91 -0.49 0.00 1.00 0.00 0.00 64.86 63.99 2h0r h ILE 192 Cb 1.21 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 2h0r h ILE 192 CO 0.59 0.09 1.27 -0.55 0.00 0.00 0.00 178.15 179.55 2h0r s SER 193 N -5.27 5.38 0.00 1.72 0.15 -1.26 -4.62 113.70 109.81 2h0r s SER 193 Ca -0.08 0.14 0.15 0.00 0.70 0.00 0.00 55.95 56.85 2h0r s SER 193 Cb 0.00 -2.54 0.66 0.00 -1.71 0.00 0.00 66.02 62.43 2h0r s SER 193 CO 0.29 -2.33 1.48 -0.90 1.20 0.00 0.00 173.24 172.98 2h0r n ASP 194 N 12.40 0.00 -4.57 5.45 5.68 -1.26 -4.77 116.55 129.48 2h0r n ASP 194 Ca 0.20 0.47 -0.57 0.00 -0.50 0.00 0.00 54.79 54.39 2h0r n ASP 194 Cb 0.51 -0.49 -0.08 0.00 -1.14 0.00 0.00 41.12 39.93 2h0r n ASP 194 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2h0r n ASP 195 N -1.49 1.99 -0.12 -1.12 4.64 -1.26 -4.81 116.55 114.38 2h0r n ASP 195 Ca 0.04 0.83 0.27 0.00 -1.38 0.00 0.00 54.79 54.55 2h0r n ASP 195 Cb 0.17 -1.12 0.71 0.00 -1.04 0.00 0.00 41.12 39.84 2h0r n ASP 195 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 2h0r h PRO 196 N 8.86 0.00 -0.08 -0.67 0.11 -2.04 -2.40 132.00 135.78 2h0r h PRO 196 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2h0r h PRO 196 Cb 1.34 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 2h0r h PRO 196 CO 1.00 0.00 0.05 1.49 -0.21 0.00 0.00 178.00 180.33 2h0r h GLU 197 N 0.00 0.10 -0.80 1.05 4.57 -1.93 -3.31 114.58 114.26 2h0r h GLU 197 Ca 0.39 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 2h0r h GLU 197 Cb 1.79 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 30.32 2h0r h GLU 197 CO -0.00 0.08 0.52 0.28 -1.18 0.00 0.00 179.01 178.70 2h0r h VAL 198 N 0.10 1.21 -0.62 0.32 2.07 -1.74 -2.91 116.25 114.69 2h0r h VAL 198 Ca 0.03 -0.42 0.18 0.00 0.82 0.00 0.00 66.70 67.31 2h0r h VAL 198 Cb -0.00 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 2h0r h VAL 198 CO -0.01 0.21 0.45 0.40 0.02 0.00 0.00 177.57 178.65 2h0r h ILE 199 N 1.09 0.67 -0.03 4.57 2.04 -1.73 -0.17 117.51 123.96 2h0r h ILE 199 Ca 0.29 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.07 2h0r h ILE 199 Cb -0.10 0.69 0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2h0r h ILE 199 CO -0.06 0.00 -0.29 0.78 0.00 0.00 0.00 178.15 178.58 2h0r h ASN 200 N 0.00 0.30 -0.89 1.72 4.21 -1.70 -2.99 115.58 116.23 2h0r h ASN 200 Ca 0.29 -0.71 0.09 0.00 1.21 0.00 0.00 56.30 57.18 2h0r h ASN 200 Cb 1.19 -0.09 -0.06 0.00 -1.12 0.00 0.00 38.32 38.23 2h0r h ASN 200 CO -0.00 0.97 0.58 0.11 -1.29 0.00 0.00 177.43 177.79 2h0r h LYS 201 N -0.34 0.88 -0.21 0.81 1.79 -1.09 -0.17 116.57 118.24 2h0r h LYS 201 Ca -0.03 -0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 58.25 2h0r h LYS 201 Cb 0.99 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 2h0r h LYS 201 CO 0.06 0.58 -0.40 0.28 -1.08 0.00 0.00 179.45 178.88 2h0r h VAL 202 N 0.90 1.32 -0.01 0.50 2.07 -1.59 -3.27 116.25 116.18 2h0r h VAL 202 Ca 0.41 -1.63 0.02 0.00 0.82 0.00 0.00 66.70 66.32 2h0r h VAL 202 Cb 0.37 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 2h0r h VAL 202 CO -0.17 0.51 -0.44 0.50 0.02 0.00 0.00 177.57 177.98 2h0r h LYS 203 N 0.33 -0.53 0.00 1.57 3.64 -0.87 -1.91 116.57 118.81 2h0r h LYS 203 Ca 0.01 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2h0r h LYS 203 Cb 1.01 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2h0r h LYS 203 CO 0.09 -0.35 -0.10 1.05 -2.27 0.00 0.00 179.45 177.87 2h0r h GLU 204 N -0.55 0.00 -0.11 1.90 9.09 -1.69 -2.99 114.58 120.22 2h0r h GLU 204 Ca 0.01 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.30 2h0r h GLU 204 Cb 0.59 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.68 2h0r h GLU 204 CO -0.30 0.10 -0.45 1.49 0.05 0.00 0.00 179.01 179.90 2h0r h GLU 205 N 0.00 0.26 -0.25 1.06 4.81 -1.41 0.41 114.58 119.47 2h0r h GLU 205 Ca -0.00 -0.14 -0.17 0.00 -0.13 0.00 0.00 59.36 58.92 2h0r h GLU 205 Cb 0.69 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 2h0r h GLU 205 CO 0.01 0.66 -0.54 -0.07 -0.73 0.00 0.00 179.01 178.35 2h0r h LEU 206 N 0.22 0.82 -0.99 1.64 3.38 -1.26 -2.86 115.31 116.25 2h0r h LEU 206 Ca 0.02 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 2h0r h LEU 206 Cb 0.88 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2h0r h LEU 206 CO 0.07 1.19 -0.28 0.11 0.09 0.00 0.00 178.44 179.62 2h0r h LYS 207 N 0.57 0.00 0.00 1.13 1.57 -1.46 0.62 116.57 119.00 2h0r h LYS 207 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2h0r h LYS 207 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2h0r h LYS 207 CO 0.11 0.28 0.00 0.00 -0.57 0.00 0.00 179.45 179.27 2h0r h ALA 208 N 1.72 1.00 -0.41 3.86 0.00 0.03 -0.51 119.26 124.95 2h0r h ALA 208 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2h0r h ALA 208 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2h0r h ALA 208 CO 0.04 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.01 2h0r n HIS 209 N -2.93 0.55 -3.52 0.00 8.25 -0.92 -5.00 115.22 111.64 2h0r n HIS 209 Ca -0.00 -0.48 -0.20 0.00 -0.26 0.00 0.00 57.72 56.78 2h0r n HIS 209 Cb 0.22 -0.02 0.08 0.00 1.12 0.00 0.00 29.99 31.39 2h0r n HIS 209 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2h0r n ASN 210 N 0.74 -3.10 -4.18 0.41 3.02 -0.20 -4.89 115.26 107.06 2h0r n ASN 210 Ca 0.14 -0.63 -0.40 0.00 -0.03 0.00 0.00 54.58 53.66 2h0r n ASN 210 Cb 0.46 -4.93 -0.07 0.00 -0.61 0.00 0.00 39.78 34.63 2h0r n ASN 210 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2h0r s ILE 211 N -3.38 4.47 0.27 2.41 1.01 0.21 -4.66 121.20 121.52 2h0r s ILE 211 Ca 0.17 -2.87 -0.30 0.00 0.00 0.00 0.00 60.65 57.65 2h0r s ILE 211 Cb -0.08 -3.83 -0.13 0.00 0.01 0.00 0.00 42.46 38.43 2h0r s ILE 211 CO 0.74 -0.95 1.37 -0.46 0.00 0.00 0.00 174.94 175.64 2h0r n ASN 212 N 3.55 2.75 -4.11 3.58 2.04 -1.09 -3.83 115.26 118.15 2h0r n ASN 212 Ca 0.11 1.16 -0.37 0.00 -0.44 0.00 0.00 54.58 55.05 2h0r n ASN 212 Cb 0.41 -1.44 -0.10 0.00 -2.53 0.00 0.00 39.78 36.12 2h0r n ASN 212 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 2h0r s VAL 213 N -0.36 3.65 0.03 3.53 1.01 -1.26 -3.06 120.40 123.94 2h0r s VAL 213 Ca 0.64 -2.73 0.04 0.00 0.00 0.00 0.00 61.98 59.94 2h0r s VAL 213 Cb -0.62 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2h0r s VAL 213 CO 0.53 -0.84 -0.08 0.68 0.00 0.00 0.00 175.10 175.40 2h0r s VAL 214 N 0.24 3.57 0.04 2.92 -7.23 -1.21 -4.98 120.40 113.76 2h0r s VAL 214 Ca 0.15 -0.90 -0.30 0.00 -1.81 0.00 0.00 61.98 59.12 2h0r s VAL 214 Cb -0.21 -2.58 -0.17 0.00 0.56 0.00 0.00 36.38 33.99 2h0r s VAL 214 CO -0.04 0.32 1.41 0.44 -0.31 0.00 0.00 175.10 176.93 2h0r h ASP 215 N 4.29 -0.91 -0.00 4.85 3.32 -1.93 -3.09 116.42 122.94 2h0r h ASP 215 Ca -0.48 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2h0r h ASP 215 Cb 1.17 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.95 2h0r h ASP 215 CO 0.53 -0.64 0.00 1.17 -1.72 0.00 0.00 179.24 178.59