#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t1r s LYS 1 N 0.00 3.80 -0.12 1.61 1.02 0.40 -4.89 119.74 121.55 1t1r s LYS 1 Ca 0.00 0.27 -0.06 0.00 0.02 0.00 0.00 55.97 56.20 1t1r s LYS 1 Cb 0.00 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 1t1r s LYS 1 CO 0.00 0.70 0.11 -0.65 -0.92 0.00 0.00 175.35 174.59 1t1r s GLN 2 N -1.14 3.45 0.05 1.68 1.11 -1.26 -0.64 119.66 122.91 1t1r s GLN 2 Ca 0.23 -0.21 -0.08 0.00 0.01 0.00 0.00 55.36 55.31 1t1r s GLN 2 Cb -0.15 -3.13 -0.00 0.00 -1.01 0.00 0.00 33.01 28.71 1t1r s GLN 2 CO 0.12 0.69 0.16 -0.48 0.01 0.00 0.00 175.29 175.78 1t1r s LEU 3 N -0.78 1.53 -0.09 2.90 2.34 -0.76 0.34 118.68 124.16 1t1r s LEU 3 Ca 0.13 -0.48 0.02 0.00 0.06 0.00 0.00 54.13 53.86 1t1r s LEU 3 Cb -0.12 0.85 -0.02 0.00 -0.56 0.00 0.00 46.19 46.34 1t1r s LEU 3 CO 0.03 -0.57 -0.14 0.42 -1.06 0.00 0.00 176.35 175.03 1t1r s THR 4 N -2.81 3.07 -0.43 5.48 -4.23 -1.01 -1.15 115.64 114.56 1t1r s THR 4 Ca -0.03 -0.69 -0.14 0.00 -1.18 0.00 0.00 61.69 59.65 1t1r s THR 4 Cb 0.00 -2.25 0.04 0.00 1.34 0.00 0.00 72.50 71.64 1t1r s THR 4 CO -0.05 0.55 0.32 -0.63 -0.54 0.00 0.00 174.62 174.27 1t1r s ILE 5 N -0.14 5.12 -0.43 2.99 -1.09 0.04 -1.88 121.20 125.81 1t1r s ILE 5 Ca -0.01 -0.87 -0.29 0.00 -2.23 0.00 0.00 60.65 57.25 1t1r s ILE 5 Cb -0.14 -3.94 0.03 0.00 -1.58 0.00 0.00 42.46 36.83 1t1r s ILE 5 CO 0.03 -0.41 1.10 -0.76 -1.23 0.00 0.00 174.94 173.66 1t1r s LEU 6 N 1.64 3.76 0.00 2.97 1.02 0.54 -1.65 118.68 126.96 1t1r s LEU 6 Ca 0.04 0.60 0.00 0.00 0.02 0.00 0.00 54.13 54.80 1t1r s LEU 6 Cb -0.21 -3.51 0.00 0.00 0.02 0.00 0.00 46.19 42.49 1t1r s LEU 6 CO 0.08 -1.12 0.00 0.61 0.02 0.00 0.00 176.35 175.94 1t1r n GLY 7 N 4.57 0.76 0.21 -3.19 0.00 0.12 -0.72 105.19 106.95 1t1r n GLY 7 Ca 0.11 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.87 1t1r n GLY 7 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1t1r h SER 8 N 0.00 0.00 0.85 1.61 4.64 -1.45 -3.25 113.55 115.95 1t1r h SER 8 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1t1r h SER 8 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1t1r h SER 8 CO 0.00 0.13 -0.15 0.35 -0.87 0.00 0.00 176.83 176.29 1t1r n THR 9 N -3.15 0.00 -1.87 2.95 -2.24 -1.26 -3.10 114.28 105.60 1t1r n THR 9 Ca 0.03 -0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.53 1t1r n THR 9 Cb 0.53 -0.27 0.19 0.00 -2.10 0.00 0.00 70.33 68.69 1t1r n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t1r n GLY 10 N 1.50 -1.48 0.24 3.38 0.00 -1.23 -4.76 105.19 102.85 1t1r n GLY 10 Ca 0.07 -1.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.26 1t1r n GLY 10 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1t1r h SER 11 N -1.64 -0.57 -0.74 1.61 0.87 -1.89 0.35 113.55 111.52 1t1r h SER 11 Ca -0.41 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.21 1t1r h SER 11 Cb 1.12 0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 63.26 1t1r h SER 11 CO 0.29 -0.28 0.41 0.40 -0.53 0.00 0.00 176.83 177.12 1t1r h ILE 12 N -0.37 1.22 -0.40 2.23 1.08 -1.93 -0.44 117.51 118.91 1t1r h ILE 12 Ca 0.04 -0.55 0.02 0.00 -0.39 0.00 0.00 64.86 63.98 1t1r h ILE 12 Cb 0.40 0.23 -0.03 0.00 -3.07 0.00 0.00 36.82 34.36 1t1r h ILE 12 CO -0.13 0.25 0.22 1.23 -0.69 0.00 0.00 178.15 179.03 1t1r h GLY 13 N 1.03 0.55 1.08 5.37 0.00 -1.56 0.12 103.07 109.65 1t1r h GLY 13 Ca 0.26 -0.17 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 1t1r h GLY 13 CO -0.04 0.14 0.05 0.00 0.00 0.00 0.00 176.54 176.69 1t1r h SER 15 N 1.00 0.50 -0.22 0.00 0.02 -0.64 0.65 113.55 114.85 1t1r h SER 15 Ca 0.19 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 1t1r h SER 15 Cb 0.51 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 1t1r h SER 15 CO 0.02 0.55 -0.19 0.74 -1.14 0.00 0.00 176.83 176.81 1t1r h THR 16 N 0.52 1.32 0.00 -2.27 2.02 -0.28 -2.40 112.91 111.82 1t1r h THR 16 Ca 0.11 -1.34 -0.07 0.00 0.77 0.00 0.00 66.41 65.89 1t1r h THR 16 Cb 0.29 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1t1r h THR 16 CO 0.01 0.41 -0.35 -0.07 0.37 0.00 0.00 175.52 175.89 1t1r h LEU 17 N 0.20 0.00 -0.63 2.58 3.38 -0.60 -2.08 115.31 118.15 1t1r h LEU 17 Ca 0.04 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1t1r h LEU 17 Cb 0.73 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1t1r h LEU 17 CO 0.05 0.35 0.03 -0.78 0.09 0.00 0.00 178.44 178.18 1t1r h ASP 18 N 0.00 1.07 -0.68 -0.43 1.82 -0.72 -0.96 116.42 116.52 1t1r h ASP 18 Ca -0.00 -0.29 -0.06 0.00 -0.39 0.00 0.00 57.03 56.29 1t1r h ASP 18 Cb 0.63 -0.29 -0.03 0.00 0.68 0.00 0.00 39.33 40.32 1t1r h ASP 18 CO 0.04 1.10 0.21 0.58 -1.61 0.00 0.00 179.24 179.56 1t1r h VAL 19 N 1.01 1.25 -0.10 2.25 2.07 -0.88 -1.73 116.25 120.12 1t1r h VAL 19 Ca 0.18 -0.88 -0.12 0.00 0.82 0.00 0.00 66.70 66.71 1t1r h VAL 19 Cb 0.53 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1t1r h VAL 19 CO 0.03 0.34 -0.46 -0.37 0.02 0.00 0.00 177.57 177.13 1t1r h VAL 20 N 1.03 1.33 -0.56 2.57 -1.51 -1.16 -2.08 116.25 115.88 1t1r h VAL 20 Ca 0.23 -1.63 -0.00 0.00 -1.23 0.00 0.00 66.70 64.06 1t1r h VAL 20 Cb 0.30 1.76 -0.03 0.00 -2.13 0.00 0.00 31.29 31.19 1t1r h VAL 20 CO -0.01 0.49 0.34 -0.09 -1.23 0.00 0.00 177.57 177.07 1t1r h ARG 21 N 0.19 0.75 0.00 5.19 2.43 -0.42 0.20 114.38 122.73 1t1r h ARG 21 Ca 0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1t1r h ARG 21 Cb 0.88 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1t1r h ARG 21 CO 0.07 0.52 0.00 0.45 -1.51 0.00 0.00 179.97 179.50 1t1r h HIS 22 N 0.76 0.00 -1.85 2.20 3.86 -0.70 -3.36 115.15 116.06 1t1r h HIS 22 Ca 0.20 0.00 -0.46 0.00 -1.16 0.00 0.00 60.37 58.95 1t1r h HIS 22 Cb -0.03 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.03 1t1r h HIS 22 CO 0.00 0.00 -1.18 0.09 0.86 0.00 0.00 177.93 177.70 1t1r n ASN 23 N -2.51 1.05 0.15 2.45 3.02 -0.12 -4.90 115.26 114.39 1t1r n ASN 23 Ca 0.05 -2.99 0.15 0.00 -0.03 0.00 0.00 54.58 51.77 1t1r n ASN 23 Cb 0.44 -0.60 0.72 0.00 -0.61 0.00 0.00 39.78 39.73 1t1r n ASN 23 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1t1r h PRO 24 N 3.00 0.00 -0.01 3.52 0.13 -1.23 -0.20 132.00 137.21 1t1r h PRO 24 Ca 0.07 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.06 1t1r h PRO 24 Cb 0.99 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1t1r h PRO 24 CO 0.51 0.00 -0.63 0.93 -0.23 0.00 0.00 178.00 178.58 1t1r h GLU 25 N 0.00 0.05 0.00 0.86 4.39 -1.92 -3.31 114.58 114.66 1t1r h GLU 25 Ca 0.12 -0.04 -0.27 0.00 0.34 0.00 0.00 59.36 59.51 1t1r h GLU 25 Cb 0.52 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 1t1r h GLU 25 CO -0.00 0.66 -1.54 0.45 -1.16 0.00 0.00 179.01 177.42 1t1r h HIS 26 N 0.04 0.01 -4.05 4.33 3.86 -1.42 -3.37 115.15 114.55 1t1r h HIS 26 Ca -0.01 -0.01 -0.49 0.00 -1.16 0.00 0.00 60.37 58.70 1t1r h HIS 26 Cb 1.12 -0.00 -0.24 0.00 1.06 0.00 0.00 27.41 29.34 1t1r h HIS 26 CO 0.01 1.02 -0.81 -0.06 0.86 0.00 0.00 177.93 178.94 1t1r s PHE 27 N -2.62 1.44 -0.07 2.45 0.40 -0.83 -0.45 117.98 118.29 1t1r s PHE 27 Ca -0.04 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 1t1r s PHE 27 Cb 0.08 -0.84 0.02 0.00 0.51 0.00 0.00 43.02 42.80 1t1r s PHE 27 CO 0.82 0.07 -0.05 0.50 0.70 0.00 0.00 175.22 177.26 1t1r s ARG 28 N -1.28 1.11 -0.34 0.44 3.52 0.19 -4.70 118.95 117.89 1t1r s ARG 28 Ca 0.03 -0.14 -0.26 0.00 -0.13 0.00 0.00 55.73 55.23 1t1r s ARG 28 Cb -0.08 -1.18 0.01 0.00 -1.56 0.00 0.00 34.95 32.14 1t1r s ARG 28 CO 0.02 -0.18 0.92 0.08 -0.81 0.00 0.00 175.30 175.33 1t1r s VAL 29 N 1.39 4.62 -0.08 7.11 1.01 -1.26 -1.82 120.40 131.36 1t1r s VAL 29 Ca -0.03 1.32 0.04 0.00 0.00 0.00 0.00 61.98 63.31 1t1r s VAL 29 Cb -0.13 -4.30 -0.24 0.00 0.00 0.00 0.00 36.38 31.70 1t1r s VAL 29 CO -0.03 -0.44 0.50 0.52 0.00 0.00 0.00 175.10 175.65 1t1r n VAL 30 N 5.83 1.68 -3.65 2.92 0.31 -0.30 -4.05 118.33 121.08 1t1r n VAL 30 Ca 0.07 -0.73 -0.15 0.00 -0.01 0.00 0.00 64.34 63.52 1t1r n VAL 30 Cb 0.48 -1.34 -0.08 0.00 -0.91 0.00 0.00 33.84 31.99 1t1r n VAL 30 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t1r s ALA 31 N -2.58 -1.42 -0.01 3.52 0.00 -1.17 0.24 121.76 120.33 1t1r s ALA 31 Ca -0.13 1.36 0.08 0.00 0.00 0.00 0.00 51.96 53.27 1t1r s ALA 31 Cb 0.07 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 1t1r s ALA 31 CO 0.80 -0.30 -0.25 -0.51 0.00 0.00 0.00 175.76 175.50 1t1r s LEU 32 N -0.32 2.12 -0.04 0.00 1.43 -0.80 -0.78 118.68 120.29 1t1r s LEU 32 Ca -0.05 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 1t1r s LEU 32 Cb -0.03 -1.35 0.01 0.00 0.03 0.00 0.00 46.19 44.84 1t1r s LEU 32 CO 0.04 0.31 -0.11 -0.69 0.23 0.00 0.00 176.35 176.13 1t1r s VAL 33 N -0.65 0.98 0.13 -1.59 1.01 -0.66 -0.91 120.40 118.71 1t1r s VAL 33 Ca 0.10 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1t1r s VAL 33 Cb -0.10 -0.89 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 1t1r s VAL 33 CO -0.00 0.31 0.15 0.00 0.00 0.00 0.00 175.10 175.56 1t1r n ALA 34 N 3.53 0.01 -1.92 5.51 0.00 0.37 -0.70 120.51 127.32 1t1r n ALA 34 Ca -0.21 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1t1r n ALA 34 Cb 0.53 0.52 0.00 0.00 0.00 0.00 0.00 19.45 20.49 1t1r n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t1r n GLY 35 N -0.22 -0.25 0.00 0.00 0.00 -1.26 -2.25 105.19 101.21 1t1r n GLY 35 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1t1r n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1t1r n LYS 36 N -0.11 -0.39 -2.62 1.61 5.02 -1.26 -3.14 118.16 117.27 1t1r n LYS 36 Ca 0.00 -0.40 -0.43 0.00 -2.02 0.00 0.00 58.31 55.46 1t1r n LYS 36 Cb 0.00 -0.82 -0.00 0.00 -0.02 0.00 0.00 35.03 34.18 1t1r n LYS 36 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1t1r s ASN 37 N -0.06 6.83 0.16 4.39 3.84 -1.26 -4.80 114.94 124.04 1t1r s ASN 37 Ca 0.00 -2.41 -0.13 0.00 0.21 0.00 0.00 52.86 50.53 1t1r s ASN 37 Cb 0.00 -2.56 0.06 0.00 -0.55 0.00 0.00 41.25 38.20 1t1r s ASN 37 CO 0.00 -1.15 1.74 0.58 -2.79 0.00 0.00 177.10 175.47 1t1r h VAL 38 N 5.59 1.21 -0.40 -5.21 2.07 -1.92 -2.51 116.25 115.09 1t1r h VAL 38 Ca 0.41 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 67.36 1t1r h VAL 38 Cb 0.89 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1t1r h VAL 38 CO 1.43 0.24 0.16 0.71 0.02 0.00 0.00 177.57 180.13 1t1r h THR 39 N 0.74 0.92 -0.31 2.57 1.35 -2.00 -0.54 112.91 115.64 1t1r h THR 39 Ca 0.19 -0.12 -0.12 0.00 -0.55 0.00 0.00 66.41 65.81 1t1r h THR 39 Cb 0.15 0.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.10 1t1r h THR 39 CO -0.02 0.06 -0.30 -0.09 -0.25 0.00 0.00 175.52 174.92 1t1r h ARG 40 N 0.34 0.64 -0.25 4.72 2.43 -1.97 -2.53 114.38 117.76 1t1r h ARG 40 Ca 0.18 -0.28 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 1t1r h ARG 40 Cb 0.13 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1t1r h ARG 40 CO -0.16 0.87 -0.10 1.98 -1.51 0.00 0.00 179.97 181.05 1t1r h MET 41 N 0.55 0.40 0.06 0.20 4.05 -0.96 -1.20 114.93 118.03 1t1r h MET 41 Ca 0.07 -0.10 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1t1r h MET 41 Cb 0.79 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.54 1t1r h MET 41 CO 0.07 0.51 -0.03 0.28 0.23 0.00 0.00 176.91 177.97 1t1r h VAL 42 N 0.38 1.16 -0.62 -5.77 2.07 -0.80 -1.12 116.25 111.56 1t1r h VAL 42 Ca 0.08 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 66.92 1t1r h VAL 42 Cb 0.41 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 1t1r h VAL 42 CO 0.02 0.19 0.31 -0.33 0.02 0.00 0.00 177.57 177.78 1t1r h GLU 43 N -0.41 0.56 -0.48 1.57 4.39 -1.22 -0.50 114.58 118.50 1t1r h GLU 43 Ca -0.01 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.68 1t1r h GLU 43 Cb 0.36 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1t1r h GLU 43 CO 0.01 0.37 0.29 1.96 -1.16 0.00 0.00 179.01 180.49 1t1r h GLN 44 N 0.58 0.58 -0.55 2.33 4.20 -1.08 -0.41 115.11 120.75 1t1r h GLN 44 Ca 0.29 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 1t1r h GLN 44 Cb 0.23 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1t1r h GLN 44 CO -0.21 0.38 0.17 0.00 -0.67 0.00 0.00 178.83 178.50 1t1r h LEU 46 N 0.77 0.00 0.00 0.00 4.07 -0.67 0.02 115.31 119.50 1t1r h LEU 46 Ca 0.18 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.83 1t1r h LEU 46 Cb 0.29 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.97 1t1r h LEU 46 CO -0.00 0.20 -1.93 1.21 -1.08 0.00 0.00 178.44 176.83 1t1r n GLU 47 N -3.99 0.65 0.00 1.13 2.13 -0.20 -4.55 120.64 115.82 1t1r n GLU 47 Ca -0.02 0.17 0.04 0.00 0.66 0.00 0.00 57.16 58.02 1t1r n GLU 47 Cb 0.28 -1.69 0.02 0.00 0.27 0.00 0.00 31.44 30.31 1t1r n GLU 47 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1t1r n PHE 48 N -2.91 0.00 -3.87 4.31 3.01 0.06 -5.05 117.46 113.01 1t1r n PHE 48 Ca -0.22 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.88 1t1r n PHE 48 Cb 1.06 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.56 1t1r n PHE 48 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1t1r n SER 49 N 0.05 -4.03 -4.81 4.37 7.64 -0.01 -4.56 113.62 112.27 1t1r n SER 49 Ca 0.04 -1.12 -0.32 0.00 1.01 0.00 0.00 58.87 58.48 1t1r n SER 49 Cb 0.19 -2.71 0.00 0.00 -1.01 0.00 0.00 64.21 60.69 1t1r n SER 49 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1t1r s PRO 50 N -6.59 3.42 0.12 1.43 0.04 -1.26 -4.90 135.00 127.26 1t1r s PRO 50 Ca 0.40 1.12 -0.14 0.00 0.04 0.00 0.00 61.00 62.42 1t1r s PRO 50 Cb -0.17 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 1t1r s PRO 50 CO 0.91 -0.72 1.55 -0.09 0.04 0.00 0.00 177.00 178.69 1t1r h ARG 51 N 0.42 0.72 -5.58 4.56 1.12 -0.40 -3.43 114.38 111.80 1t1r h ARG 51 Ca -0.46 -0.25 -0.45 0.00 -1.11 0.00 0.00 59.98 57.70 1t1r h ARG 51 Cb 1.21 -0.05 -0.20 0.00 -0.01 0.00 0.00 29.97 30.91 1t1r h ARG 51 CO 0.58 0.84 -0.78 0.71 -3.11 0.00 0.00 179.97 178.20 1t1r s TYR 52 N -4.90 1.42 -0.07 2.20 1.51 -0.93 -1.76 117.35 114.82 1t1r s TYR 52 Ca -0.13 -0.48 -0.00 0.00 -1.01 0.00 0.00 57.07 55.45 1t1r s TYR 52 Cb 0.10 -0.77 0.03 0.00 -0.11 0.00 0.00 41.96 41.20 1t1r s TYR 52 CO 0.80 0.13 -0.03 0.00 -1.11 0.00 0.00 175.55 175.34 1t1r s ALA 53 N -1.52 0.82 -0.04 3.71 0.00 -0.54 -1.90 121.76 122.29 1t1r s ALA 53 Ca 0.04 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 51.87 1t1r s ALA 53 Cb -0.08 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 1t1r s ALA 53 CO 0.03 -0.31 -0.24 0.08 0.00 0.00 0.00 175.76 175.33 1t1r s VAL 54 N 1.59 1.91 0.28 0.00 1.01 -0.09 -1.21 120.40 123.88 1t1r s VAL 54 Ca -0.00 -1.00 0.10 0.00 0.00 0.00 0.00 61.98 61.08 1t1r s VAL 54 Cb -0.13 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 1t1r s VAL 54 CO -0.04 0.54 -0.08 -0.04 0.00 0.00 0.00 175.10 175.47 1t1r s MET 55 N -0.29 2.02 -0.98 2.72 -1.94 -0.80 -0.47 119.30 119.56 1t1r s MET 55 Ca 0.01 -1.60 -0.01 0.00 -1.71 0.00 0.00 55.69 52.39 1t1r s MET 55 Cb -0.12 -1.98 0.32 0.00 2.01 0.00 0.00 34.83 35.06 1t1r s MET 55 CO 0.02 0.33 1.58 -0.25 -0.01 0.00 0.00 175.02 176.68 1t1r n ASP 56 N -0.79 6.60 0.00 3.03 10.43 -0.96 -1.13 116.55 133.73 1t1r n ASP 56 Ca -0.06 -3.60 0.00 0.00 2.57 0.00 0.00 54.79 53.71 1t1r n ASP 56 Cb 0.60 -1.11 0.00 0.00 1.84 0.00 0.00 41.12 42.45 1t1r n ASP 56 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1t1r n ASP 57 N 0.38 0.00 0.19 -2.24 2.03 -1.26 -4.75 116.55 110.89 1t1r n ASP 57 Ca 0.38 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.74 1t1r n ASP 57 Cb 0.30 0.00 0.51 0.00 -0.72 0.00 0.00 41.12 41.21 1t1r n ASP 57 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1t1r h GLU 58 N 0.00 0.10 -0.31 -0.67 4.39 -1.94 -1.23 114.58 114.92 1t1r h GLU 58 Ca 0.00 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.54 1t1r h GLU 58 Cb 0.00 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1t1r h GLU 58 CO 0.00 0.19 -0.38 0.00 -1.16 0.00 0.00 179.01 177.66 1t1r h ALA 59 N 1.82 0.74 0.02 3.43 0.00 -2.00 -2.13 119.26 121.14 1t1r h ALA 59 Ca 0.02 -0.44 -0.22 0.00 0.00 0.00 0.00 54.91 54.27 1t1r h ALA 59 Cb 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1t1r h ALA 59 CO 0.01 0.66 -1.04 0.77 0.00 0.00 0.00 179.25 179.66 1t1r h SER 60 N 0.61 0.07 -0.24 0.00 0.02 -1.84 -2.75 113.55 109.43 1t1r h SER 60 Ca 0.05 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 1t1r h SER 60 Cb 0.92 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1t1r h SER 60 CO 0.08 1.06 -0.01 0.00 -1.14 0.00 0.00 176.83 176.82 1t1r h ALA 61 N 0.93 0.32 -0.35 3.77 0.00 -1.14 0.09 119.26 122.88 1t1r h ALA 61 Ca -0.03 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 1t1r h ALA 61 Cb 1.79 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1t1r h ALA 61 CO 0.14 0.07 -0.37 -0.22 0.00 0.00 0.00 179.25 178.87 1t1r h LYS 62 N 0.19 0.83 -0.85 0.00 3.64 -1.49 0.21 116.57 119.12 1t1r h LYS 62 Ca 0.07 -0.42 -0.03 0.00 -1.27 0.00 0.00 60.65 58.99 1t1r h LYS 62 Cb 0.43 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 1t1r h LYS 62 CO 0.01 1.06 0.42 1.25 -2.27 0.00 0.00 179.45 179.93 1t1r h LEU 63 N 0.69 1.09 -0.13 5.20 5.85 -1.40 -0.80 115.31 125.81 1t1r h LEU 63 Ca 0.06 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 1t1r h LEU 63 Cb 0.94 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1t1r h LEU 63 CO 0.09 0.91 -0.38 0.25 -0.34 0.00 0.00 178.44 178.97 1t1r h LEU 64 N 1.20 0.55 -1.24 2.25 5.85 -0.77 -3.07 115.31 120.09 1t1r h LEU 64 Ca 0.29 -0.60 0.07 0.00 0.84 0.00 0.00 57.88 58.49 1t1r h LEU 64 Cb 0.09 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 1t1r h LEU 64 CO -0.04 1.05 0.55 0.50 -0.34 0.00 0.00 178.44 180.16 1t1r h LYS 65 N 0.08 0.87 -0.35 1.25 3.64 -0.23 -0.91 116.57 120.91 1t1r h LYS 65 Ca -0.01 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1t1r h LYS 65 Cb 1.00 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1t1r h LYS 65 CO 0.08 0.58 -0.14 1.15 -2.27 0.00 0.00 179.45 178.85 1t1r h THR 66 N 0.90 1.28 -0.31 1.00 2.02 -1.17 -2.53 112.91 114.10 1t1r h THR 66 Ca 0.37 -1.25 -0.13 0.00 0.77 0.00 0.00 66.41 66.17 1t1r h THR 66 Cb 0.28 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1t1r h THR 66 CO -0.14 0.41 -0.35 0.24 0.37 0.00 0.00 175.52 176.05 1t1r h MET 67 N 0.51 0.71 -0.40 6.66 2.86 -1.31 -1.47 114.93 122.49 1t1r h MET 67 Ca 0.08 -0.34 -0.06 0.00 -2.06 0.00 0.00 59.70 57.32 1t1r h MET 67 Cb 0.67 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1t1r h MET 67 CO 0.05 0.95 0.01 -0.07 1.06 0.00 0.00 176.91 178.91 1t1r h LEU 68 N 0.59 0.68 -0.57 1.22 3.38 -1.19 -1.50 115.31 117.92 1t1r h LEU 68 Ca 0.06 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 1t1r h LEU 68 Cb 0.88 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1t1r h LEU 68 CO 0.08 0.81 0.08 1.56 0.09 0.00 0.00 178.44 181.06 1t1r h GLN 69 N 0.53 0.96 0.00 1.13 4.20 -1.41 0.16 115.11 120.68 1t1r h GLN 69 Ca 0.12 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 1t1r h GLN 69 Cb 0.45 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1t1r h GLN 69 CO 0.02 0.92 -0.05 0.37 -0.67 0.00 0.00 178.83 179.42 1t1r h GLN 70 N 0.85 0.00 -0.02 1.46 4.15 -1.09 -1.17 115.11 119.30 1t1r h GLN 70 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1t1r h GLN 70 Cb 0.44 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1t1r h GLN 70 CO 0.01 0.05 -0.17 1.04 -1.93 0.00 0.00 178.83 177.83 1t1r n GLN 71 N -4.21 1.54 -0.42 1.69 1.13 -0.58 -4.96 117.38 111.56 1t1r n GLN 71 Ca -0.03 -1.12 0.00 0.00 -1.94 0.00 0.00 57.00 53.91 1t1r n GLN 71 Cb 0.13 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.00 1t1r n GLN 71 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1t1r n GLY 72 N 1.32 0.74 3.75 1.08 0.00 -0.30 -5.05 105.19 106.73 1t1r n GLY 72 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1t1r n GLY 72 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1t1r s SER 73 N -2.99 7.55 -0.23 1.61 0.15 0.41 -4.95 113.70 115.25 1t1r s SER 73 Ca 0.00 2.02 0.15 0.00 0.70 0.00 0.00 55.95 58.82 1t1r s SER 73 Cb 0.00 -2.61 0.69 0.00 -1.71 0.00 0.00 66.02 62.39 1t1r s SER 73 CO 0.00 0.07 1.62 0.54 1.20 0.00 0.00 173.24 176.67 1t1r n ARG 74 N 1.48 3.92 -1.78 5.44 5.12 -1.26 -4.02 116.66 125.56 1t1r n ARG 74 Ca -0.02 -3.04 -0.42 0.00 -1.93 0.00 0.00 57.85 52.45 1t1r n ARG 74 Cb 0.47 -2.09 -0.03 0.00 -1.16 0.00 0.00 32.46 29.65 1t1r n ARG 74 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1t1r s THR 75 N -2.84 2.40 -0.10 0.55 2.01 -1.26 -4.92 115.64 111.48 1t1r s THR 75 Ca 0.50 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.35 1t1r s THR 75 Cb 0.39 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 1t1r s THR 75 CO 0.12 0.01 1.32 -0.70 -0.69 0.00 0.00 174.62 174.68 1t1r s GLU 76 N 1.83 4.26 0.11 4.92 2.12 -0.72 -4.84 118.70 126.38 1t1r s GLU 76 Ca 0.76 1.77 -0.14 0.00 0.36 0.00 0.00 54.97 57.72 1t1r s GLU 76 Cb -0.46 -3.71 -0.07 0.00 0.26 0.00 0.00 34.13 30.15 1t1r s GLU 76 CO 0.33 -0.64 0.51 0.08 -0.54 0.00 0.00 175.26 175.00 1t1r s VAL 77 N 3.08 4.90 0.20 3.70 1.01 -1.26 -1.47 120.40 130.57 1t1r s VAL 77 Ca 0.59 0.82 -0.01 0.00 0.00 0.00 0.00 61.98 63.38 1t1r s VAL 77 Cb -0.25 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1t1r s VAL 77 CO 0.20 0.34 0.13 -0.76 0.00 0.00 0.00 175.10 175.00 1t1r s LEU 78 N -1.72 1.19 0.04 3.92 1.43 -0.35 -4.94 118.68 118.26 1t1r s LEU 78 Ca 0.34 -1.38 -0.08 0.00 -1.03 0.00 0.00 54.13 51.98 1t1r s LEU 78 Cb -0.16 0.36 -0.00 0.00 0.03 0.00 0.00 46.19 46.43 1t1r s LEU 78 CO 0.18 -0.83 0.16 -0.55 0.23 0.00 0.00 176.35 175.54 1t1r s SER 79 N -3.16 0.09 0.00 2.29 0.15 -1.26 -1.91 113.70 109.90 1t1r s SER 79 Ca 0.38 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1t1r s SER 79 Cb 0.07 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1t1r s SER 79 CO 0.12 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.61 1t1r n GLY 80 N 0.63 0.05 0.36 9.45 0.00 -0.28 -4.36 105.19 111.04 1t1r n GLY 80 Ca -0.18 -1.63 0.01 0.00 0.00 0.00 0.00 46.02 44.21 1t1r n GLY 80 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1t1r h GLN 81 N 0.00 1.06 -0.58 1.61 4.15 -1.94 -2.40 115.11 117.01 1t1r h GLN 81 Ca 0.00 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.37 1t1r h GLN 81 Cb 0.00 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 27.42 1t1r h GLN 81 CO 0.00 0.70 0.38 0.37 -1.93 0.00 0.00 178.83 178.35 1t1r h GLN 82 N 1.09 0.75 -0.56 1.69 5.75 -2.00 -0.89 115.11 120.94 1t1r h GLN 82 Ca 0.33 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.79 1t1r h GLN 82 Cb -0.04 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.31 1t1r h GLN 82 CO -0.09 0.49 0.36 0.00 -2.65 0.00 0.00 178.83 176.95 1t1r h ALA 83 N 1.22 0.71 -0.54 3.38 0.00 -1.64 -0.76 119.26 121.63 1t1r h ALA 83 Ca 0.22 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1t1r h ALA 83 Cb -0.07 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 1t1r h ALA 83 CO -0.06 0.12 0.19 0.00 0.00 0.00 0.00 179.25 179.50 1t1r h ALA 84 N 1.22 0.67 -0.46 0.00 0.00 -0.96 0.10 119.26 119.82 1t1r h ALA 84 Ca 0.21 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1t1r h ALA 84 Cb -0.05 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1t1r h ALA 84 CO -0.06 -0.22 0.24 0.00 0.00 0.00 0.00 179.25 179.21 1t1r h ASP 86 N 0.64 0.71 -0.48 0.00 3.32 0.36 -2.82 116.42 118.14 1t1r h ASP 86 Ca 0.16 -0.33 -0.09 0.00 0.02 0.00 0.00 57.03 56.80 1t1r h ASP 86 Cb 0.04 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1t1r h ASP 86 CO -0.03 1.04 -0.03 0.24 -1.72 0.00 0.00 179.24 178.74 1t1r h MET 87 N 0.54 0.92 0.00 3.56 2.86 -0.28 -1.99 114.93 120.53 1t1r h MET 87 Ca 0.04 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1t1r h MET 87 Cb 0.95 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1t1r h MET 87 CO 0.09 0.93 0.00 0.00 1.06 0.00 0.00 176.91 178.99 1t1r n ALA 88 N -2.48 2.15 -0.61 6.32 0.00 -0.42 -3.07 120.51 122.40 1t1r n ALA 88 Ca 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.36 1t1r n ALA 88 Cb 0.34 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.49 1t1r n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t1r n ALA 89 N -1.07 1.56 -1.61 0.00 0.00 -0.79 -3.54 120.51 115.06 1t1r n ALA 89 Ca 0.13 -0.86 -0.50 0.00 0.00 0.00 0.00 53.44 52.21 1t1r n ALA 89 Cb 0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 1t1r n ALA 89 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1t1r n LEU 90 N -0.30 2.03 -0.34 0.00 4.32 -0.96 -4.85 117.00 116.90 1t1r n LEU 90 Ca 0.01 1.11 0.09 0.00 -0.02 0.00 0.00 56.01 57.20 1t1r n LEU 90 Cb 0.41 -1.26 0.25 0.00 -1.62 0.00 0.00 43.42 41.20 1t1r n LEU 90 CO 0.00 -0.88 1.18 -0.33 -1.22 0.00 0.00 177.39 176.15 1t1r h GLU 91 N 4.71 0.80 -0.06 3.23 3.07 -1.94 -2.89 114.58 121.49 1t1r h GLU 91 Ca -0.46 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.34 1t1r h GLU 91 Cb 1.31 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 29.04 1t1r h GLU 91 CO 0.79 0.53 0.03 0.22 -1.40 0.00 0.00 179.01 179.18 1t1r h ASP 92 N 0.83 0.09 -3.94 1.42 1.82 -2.00 -3.45 116.42 111.18 1t1r h ASP 92 Ca 0.51 -0.16 -0.53 0.00 -0.39 0.00 0.00 57.03 56.46 1t1r h ASP 92 Cb 0.64 -0.02 0.09 0.00 0.68 0.00 0.00 39.33 40.71 1t1r h ASP 92 CO -0.32 0.22 0.64 0.68 -1.61 0.00 0.00 179.24 178.85 1t1r s VAL 93 N -5.56 2.54 -0.26 2.25 -7.23 -1.09 -4.76 120.40 106.29 1t1r s VAL 93 Ca -0.14 0.50 -0.01 0.00 -1.81 0.00 0.00 61.98 60.52 1t1r s VAL 93 Cb 0.05 -3.30 -0.16 0.00 0.56 0.00 0.00 36.38 33.53 1t1r s VAL 93 CO 0.68 0.08 -0.23 0.47 -0.31 0.00 0.00 175.10 175.79 1t1r n ASP 94 N 0.22 1.98 -4.42 4.85 9.92 0.15 -4.90 116.55 124.36 1t1r n ASP 94 Ca 0.03 -0.05 -0.28 0.00 -0.53 0.00 0.00 54.79 53.95 1t1r n ASP 94 Cb 0.43 -0.49 -0.12 0.00 -0.64 0.00 0.00 41.12 40.30 1t1r n ASP 94 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1t1r s GLN 95 N -2.52 1.50 -0.17 -1.24 -0.21 -0.84 -1.59 119.66 114.58 1t1r s GLN 95 Ca -0.35 -1.37 -0.01 0.00 0.02 0.00 0.00 55.36 53.65 1t1r s GLN 95 Cb 0.10 -1.92 0.05 0.00 1.00 0.00 0.00 33.01 32.23 1t1r s GLN 95 CO 0.59 0.44 -0.03 0.08 -2.12 0.00 0.00 175.29 174.24 1t1r s VAL 96 N -1.23 1.02 -0.61 1.09 1.01 -0.01 -2.40 120.40 119.26 1t1r s VAL 96 Ca 0.16 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 61.24 1t1r s VAL 96 Cb -0.10 -1.27 0.04 0.00 0.00 0.00 0.00 36.38 35.06 1t1r s VAL 96 CO 0.08 0.05 1.08 -0.32 0.00 0.00 0.00 175.10 175.99 1t1r s MET 97 N 1.66 3.32 -0.87 2.72 1.75 -0.79 -0.99 119.30 126.11 1t1r s MET 97 Ca -0.00 -0.20 -0.20 0.00 -1.25 0.00 0.00 55.69 54.04 1t1r s MET 97 Cb -0.16 -4.09 0.11 0.00 2.84 0.00 0.00 34.83 33.53 1t1r s MET 97 CO -0.07 -1.72 1.12 0.00 -0.65 0.00 0.00 175.02 173.69 1t1r s ALA 98 N 4.59 3.23 -0.02 4.11 0.00 -0.07 -0.34 121.76 133.27 1t1r s ALA 98 Ca 0.34 -2.47 0.02 0.00 0.00 0.00 0.00 51.96 49.85 1t1r s ALA 98 Cb -0.11 -4.05 0.04 0.00 0.00 0.00 0.00 23.12 19.00 1t1r s ALA 98 CO 0.19 -2.99 1.01 0.00 0.00 0.00 0.00 175.76 173.97 1t1r n ALA 99 N 7.09 2.01 -2.55 0.00 0.00 0.10 0.44 120.51 127.60 1t1r n ALA 99 Ca 0.17 -1.19 -0.43 0.00 0.00 0.00 0.00 53.44 51.99 1t1r n ALA 99 Cb 0.48 -0.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.86 1t1r n ALA 99 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1t1r s ILE 100 N -1.21 4.47 0.46 0.00 1.01 -1.10 -4.68 121.20 120.14 1t1r s ILE 100 Ca 0.04 1.75 -0.12 0.00 0.00 0.00 0.00 60.65 62.32 1t1r s ILE 100 Cb 0.03 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 38.23 1t1r s ILE 100 CO 0.00 -0.24 0.86 0.54 0.00 0.00 0.00 174.94 176.10 1t1r s VAL 101 N 3.49 4.70 0.00 2.92 0.11 -1.26 -4.09 120.40 126.28 1t1r s VAL 101 Ca 0.49 0.81 0.00 0.00 -2.93 0.00 0.00 61.98 60.35 1t1r s VAL 101 Cb -0.17 -3.75 0.00 0.00 -1.53 0.00 0.00 36.38 30.93 1t1r s VAL 101 CO 0.12 -0.64 0.00 0.61 -3.33 0.00 0.00 175.10 171.86 1t1r n GLY 102 N -1.56 -2.05 0.30 6.54 0.00 -1.26 -4.21 105.19 102.94 1t1r n GLY 102 Ca 0.04 -1.41 0.05 0.00 0.00 0.00 0.00 46.02 44.70 1t1r n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t1r h ALA 103 N -0.07 1.17 -0.05 4.61 0.00 -1.99 -1.70 119.26 121.23 1t1r h ALA 103 Ca 0.00 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1t1r h ALA 103 Cb 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1t1r h ALA 103 CO 0.00 -0.08 0.34 0.00 0.00 0.00 0.00 179.25 179.51 1t1r h ALA 104 N 1.52 1.43 0.00 0.00 0.00 -1.92 0.31 119.26 120.60 1t1r h ALA 104 Ca 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1t1r h ALA 104 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1t1r h ALA 104 CO -0.34 -0.36 -0.64 0.78 0.00 0.00 0.00 179.25 178.69 1t1r h GLY 105 N 0.00 0.00 0.05 0.00 0.00 -1.45 -3.41 103.07 98.26 1t1r h GLY 105 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1t1r h GLY 105 CO -0.00 0.00 -0.16 1.41 0.00 0.00 0.00 176.54 177.79 1t1r h LEU 106 N 0.00 -0.47 -0.79 3.11 4.07 -1.04 -1.57 115.31 118.63 1t1r h LEU 106 Ca 0.00 0.05 0.03 0.00 0.08 0.00 0.00 57.88 58.04 1t1r h LEU 106 Cb 0.95 0.17 -0.05 0.00 1.08 0.00 0.00 40.66 42.81 1t1r h LEU 106 CO 0.00 -0.17 0.50 -0.07 -1.08 0.00 0.00 178.44 177.62 1t1r h LEU 107 N -0.24 0.83 -0.46 1.67 4.07 -1.79 0.86 115.31 120.25 1t1r h LEU 107 Ca -0.00 -0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.91 1t1r h LEU 107 Cb 0.23 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 1t1r h LEU 107 CO -0.08 0.57 0.11 -0.65 -1.08 0.00 0.00 178.44 177.31 1t1r h PRO 108 N 0.97 0.74 -0.82 1.13 0.11 -1.77 0.73 132.00 133.10 1t1r h PRO 108 Ca 0.32 -0.18 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 1t1r h PRO 108 Cb 0.02 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.00 1t1r h PRO 108 CO -0.12 0.73 0.40 1.15 -0.21 0.00 0.00 178.00 179.95 1t1r h THR 109 N 0.62 1.25 -0.79 -1.15 2.02 -0.96 -1.74 112.91 112.16 1t1r h THR 109 Ca 0.15 -0.70 -0.05 0.00 0.77 0.00 0.00 66.41 66.58 1t1r h THR 109 Cb 0.32 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 1t1r h THR 109 CO 0.00 0.30 0.31 0.25 0.37 0.00 0.00 175.52 176.76 1t1r h LEU 110 N 1.16 1.09 -0.66 2.58 6.46 -0.43 -1.95 115.31 123.56 1t1r h LEU 110 Ca 0.28 -0.17 0.02 0.00 -0.12 0.00 0.00 57.88 57.89 1t1r h LEU 110 Cb 0.11 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 39.72 1t1r h LEU 110 CO -0.04 0.96 0.42 0.00 -0.62 0.00 0.00 178.44 179.17 1t1r h ALA 111 N 1.19 0.85 -0.57 1.25 0.00 -0.03 -0.73 119.26 121.23 1t1r h ALA 111 Ca 0.26 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1t1r h ALA 111 Cb 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1t1r h ALA 111 CO -0.02 0.20 0.29 0.00 0.00 0.00 0.00 179.25 179.72 1t1r h ALA 112 N 1.27 0.73 -0.05 0.00 0.00 -0.92 -0.47 119.26 119.81 1t1r h ALA 112 Ca 0.26 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1t1r h ALA 112 Cb -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1t1r h ALA 112 CO -0.09 0.27 0.01 0.82 0.00 0.00 0.00 179.25 180.26 1t1r h ILE 113 N 0.76 0.98 -0.51 0.00 2.04 -0.77 -1.79 117.51 118.22 1t1r h ILE 113 Ca 0.20 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 66.02 1t1r h ILE 113 Cb 0.08 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1t1r h ILE 113 CO -0.03 0.01 0.21 0.03 0.00 0.00 0.00 178.15 178.37 1t1r h ARG 114 N 0.04 0.73 0.00 2.37 3.08 -0.91 -0.38 114.38 119.31 1t1r h ARG 114 Ca 0.02 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1t1r h ARG 114 Cb 0.02 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1t1r h ARG 114 CO -0.03 0.60 0.00 0.00 -1.07 0.00 0.00 179.97 179.47 1t1r n ALA 115 N -2.46 2.29 -1.08 0.04 0.00 -0.21 -4.85 120.51 114.24 1t1r n ALA 115 Ca 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.33 1t1r n ALA 115 Cb 0.15 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 1t1r n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t1r n GLY 116 N 0.32 0.54 3.71 0.00 0.00 -0.15 -5.01 105.19 104.60 1t1r n GLY 116 Ca 0.15 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1t1r n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t1r s LYS 117 N -1.38 1.36 -0.33 1.61 -0.14 -0.71 -4.52 119.74 115.63 1t1r s LYS 117 Ca 0.00 1.01 -0.24 0.00 -1.36 0.00 0.00 55.97 55.39 1t1r s LYS 117 Cb 0.00 -1.81 0.00 0.00 -1.68 0.00 0.00 37.83 34.35 1t1r s LYS 117 CO 0.00 -2.22 0.80 0.99 -0.76 0.00 0.00 175.35 174.15 1t1r s THR 118 N -2.86 4.76 -0.23 2.17 2.01 -0.62 -3.61 115.64 117.26 1t1r s THR 118 Ca 0.64 1.10 -0.13 0.00 0.31 0.00 0.00 61.69 63.60 1t1r s THR 118 Cb -0.19 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 1t1r s THR 118 CO 0.57 -0.32 0.27 -0.63 -0.69 0.00 0.00 174.62 173.81 1t1r s ILE 119 N 3.04 5.28 -0.68 1.82 1.09 -0.14 -0.83 121.20 130.77 1t1r s ILE 119 Ca 0.32 0.40 -0.18 0.00 -1.10 0.00 0.00 60.65 60.10 1t1r s ILE 119 Cb -0.14 -3.60 0.13 0.00 -1.06 0.00 0.00 42.46 37.80 1t1r s ILE 119 CO 0.14 0.29 0.76 -0.76 -0.10 0.00 0.00 174.94 175.27 1t1r s LEU 120 N 1.26 5.70 -0.74 2.97 1.02 -0.16 -0.14 118.68 128.59 1t1r s LEU 120 Ca 0.12 -1.81 -0.27 0.00 0.02 0.00 0.00 54.13 52.19 1t1r s LEU 120 Cb -0.14 -2.29 0.03 0.00 0.02 0.00 0.00 46.19 43.81 1t1r s LEU 120 CO 0.06 -0.98 1.32 -0.22 0.02 0.00 0.00 176.35 176.56 1t1r s LEU 121 N 2.08 3.18 -0.15 1.79 2.96 -0.18 -0.89 118.68 127.46 1t1r s LEU 121 Ca 0.15 -0.42 0.17 0.00 -0.22 0.00 0.00 54.13 53.81 1t1r s LEU 121 Cb -0.19 -2.56 -0.24 0.00 0.50 0.00 0.00 46.19 43.70 1t1r s LEU 121 CO 0.01 -1.87 0.13 0.00 -1.32 0.00 0.00 176.35 173.29 1t1r n ALA 122 N 9.61 1.75 -0.62 5.97 0.00 -0.34 -1.41 120.51 135.48 1t1r n ALA 122 Ca 0.05 -1.08 -0.08 0.00 0.00 0.00 0.00 53.44 52.33 1t1r n ALA 122 Cb 0.49 -0.23 -0.10 0.00 0.00 0.00 0.00 19.45 19.61 1t1r n ALA 122 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1t1r n ASN 123 N -2.59 3.28 0.32 0.00 5.15 0.17 -4.64 115.26 116.95 1t1r n ASN 123 Ca -0.25 -2.11 0.11 0.00 -0.60 0.00 0.00 54.58 51.73 1t1r n ASN 123 Cb 0.99 -0.88 0.57 0.00 -0.53 0.00 0.00 39.78 39.94 1t1r n ASN 123 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 1t1r h LYS 124 N 4.27 0.00 0.00 1.20 2.10 -1.86 -0.11 116.57 122.17 1t1r h LYS 124 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 1t1r h LYS 124 Cb 0.89 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.22 1t1r h LYS 124 CO 0.39 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.23 1t1r n GLU 125 N -2.71 0.11 0.18 0.07 4.71 -1.26 -3.09 120.64 118.65 1t1r n GLU 125 Ca -0.01 0.22 0.13 0.00 -0.01 0.00 0.00 57.16 57.49 1t1r n GLU 125 Cb 0.53 -1.67 0.42 0.00 -1.01 0.00 0.00 31.44 29.72 1t1r n GLU 125 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1t1r h SER 126 N 0.00 0.00 0.78 1.62 4.64 -1.37 -2.85 113.55 116.37 1t1r h SER 126 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1t1r h SER 126 Cb 0.47 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 1t1r h SER 126 CO 0.00 0.00 -1.31 -0.07 -0.87 0.00 0.00 176.83 174.58 1t1r h LEU 127 N 0.00 0.00 -1.41 5.97 3.38 -1.75 -1.25 115.31 120.25 1t1r h LEU 127 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1t1r h LEU 127 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1t1r h LEU 127 CO 0.00 0.93 0.05 0.58 0.09 0.00 0.00 178.44 180.09 1t1r h VAL 128 N 0.00 1.16 0.00 1.22 2.07 -1.62 -0.05 116.25 119.03 1t1r h VAL 128 Ca -0.14 -0.57 -0.29 0.00 0.82 0.00 0.00 66.70 66.52 1t1r h VAL 128 Cb 1.83 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.42 1t1r h VAL 128 CO 0.10 0.20 -2.09 0.35 0.02 0.00 0.00 177.57 176.14 1t1r n THR 129 N -4.35 1.09 -2.00 2.57 -2.24 -1.18 -3.80 114.28 104.38 1t1r n THR 129 Ca 0.01 -0.63 -0.02 0.00 -2.27 0.00 0.00 64.05 61.15 1t1r n THR 129 Cb 0.19 -0.70 0.11 0.00 -2.10 0.00 0.00 70.33 67.83 1t1r n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t1r h GLY 131 N 1.42 0.26 1.00 0.00 0.00 -1.10 0.35 103.07 105.00 1t1r h GLY 131 Ca 0.02 0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.67 1t1r h GLY 131 CO 0.21 -0.25 -0.47 -0.09 0.00 0.00 0.00 176.54 175.94 1t1r h ARG 132 N -0.06 -1.26 -0.32 4.80 9.65 -1.90 -0.52 114.38 124.78 1t1r h ARG 132 Ca 0.32 0.09 0.07 0.00 -1.10 0.00 0.00 59.98 59.36 1t1r h ARG 132 Cb 0.57 0.29 -0.08 0.00 -1.39 0.00 0.00 29.97 29.36 1t1r h ARG 132 CO -0.80 -0.84 -0.22 -0.07 2.80 0.00 0.00 179.97 180.85 1t1r h LEU 133 N -1.33 -0.73 0.14 3.80 3.38 -1.79 0.52 115.31 119.29 1t1r h LEU 133 Ca -0.13 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1t1r h LEU 133 Cb 1.00 0.37 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1t1r h LEU 133 CO 0.22 -0.25 -0.06 -0.26 0.09 0.00 0.00 178.44 178.17 1t1r h PHE 134 N -0.19 -0.17 -0.92 1.13 0.05 -0.32 0.03 116.94 116.55 1t1r h PHE 134 Ca 0.16 -0.00 0.01 0.00 3.82 0.00 0.00 57.97 61.96 1t1r h PHE 134 Cb 0.44 0.06 -0.05 0.00 2.00 0.00 0.00 35.95 38.40 1t1r h PHE 134 CO -0.42 -0.04 0.60 0.52 -0.18 0.00 0.00 178.31 178.79 1t1r h MET 135 N -0.26 1.22 0.04 1.51 2.86 -0.85 0.11 114.93 119.55 1t1r h MET 135 Ca -0.02 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1t1r h MET 135 Cb 0.20 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 1t1r h MET 135 CO 0.03 0.82 -0.03 -0.44 1.06 0.00 0.00 176.91 178.35 1t1r h ASP 136 N 1.25 -0.09 -0.61 1.22 3.32 -0.65 -1.73 116.42 119.12 1t1r h ASP 136 Ca 0.33 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 1t1r h ASP 136 Cb -0.12 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1t1r h ASP 136 CO -0.07 -0.05 0.33 0.00 -1.72 0.00 0.00 179.24 177.73 1t1r h ALA 137 N 0.89 1.40 -0.72 3.45 0.00 -0.39 -1.79 119.26 122.09 1t1r h ALA 137 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1t1r h ALA 137 Cb 0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1t1r h ALA 137 CO -0.01 0.49 0.32 0.28 0.00 0.00 0.00 179.25 180.33 1t1r h VAL 138 N 0.88 1.24 -0.23 0.00 2.07 -0.35 -2.64 116.25 117.22 1t1r h VAL 138 Ca 0.22 -0.72 -0.14 0.00 0.82 0.00 0.00 66.70 66.88 1t1r h VAL 138 Cb 0.04 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1t1r h VAL 138 CO -0.03 0.30 -0.41 0.50 0.02 0.00 0.00 177.57 177.94 1t1r h LYS 139 N 1.02 0.69 0.00 1.57 3.64 -0.97 0.14 116.57 122.65 1t1r h LYS 139 Ca 0.24 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1t1r h LYS 139 Cb 0.16 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1t1r h LYS 139 CO -0.03 1.05 0.00 0.94 -2.27 0.00 0.00 179.45 179.15 1t1r n GLN 140 N -4.20 0.12 0.00 1.90 -0.06 -0.70 -2.70 117.38 111.74 1t1r n GLN 140 Ca -0.05 0.21 0.00 0.00 -2.00 0.00 0.00 57.00 55.16 1t1r n GLN 140 Cb 0.55 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.23 1t1r n GLN 140 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1t1r n SER 141 N -1.32 0.05 -1.61 1.69 3.41 -1.01 -5.01 113.62 109.82 1t1r n SER 141 Ca 0.04 -0.33 -0.19 0.00 -0.26 0.00 0.00 58.87 58.14 1t1r n SER 141 Cb 0.09 0.47 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 1t1r n SER 141 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1t1r n LYS 142 N -0.47 -1.36 -1.96 4.33 4.76 0.45 -4.71 118.16 119.21 1t1r n LYS 142 Ca 0.00 1.11 -0.41 0.00 -2.87 0.00 0.00 58.31 56.14 1t1r n LYS 142 Cb 0.01 -5.47 -0.02 0.00 -1.84 0.00 0.00 35.03 27.70 1t1r n LYS 142 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1t1r s ALA 143 N -2.76 3.67 -0.25 7.82 0.00 -1.06 -4.94 121.76 124.25 1t1r s ALA 143 Ca 0.00 1.38 -0.25 0.00 0.00 0.00 0.00 51.96 53.08 1t1r s ALA 143 Cb 0.00 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.53 1t1r s ALA 143 CO 0.00 -0.79 0.86 -1.14 0.00 0.00 0.00 175.76 174.69 1t1r s GLN 144 N -0.11 4.18 -0.13 0.00 2.00 -1.24 -4.85 119.66 119.50 1t1r s GLN 144 Ca 0.62 0.98 -0.16 0.00 -2.00 0.00 0.00 55.36 54.80 1t1r s GLN 144 Cb -0.43 -3.65 -0.04 0.00 0.80 0.00 0.00 33.01 29.68 1t1r s GLN 144 CO 0.42 -0.56 0.40 -0.51 -0.50 0.00 0.00 175.29 174.55 1t1r s LEU 145 N 2.92 4.26 -0.29 3.68 1.43 -1.26 -0.97 118.68 128.46 1t1r s LEU 145 Ca 0.36 0.69 -0.00 0.00 -1.03 0.00 0.00 54.13 54.16 1t1r s LEU 145 Cb -0.15 -2.57 0.09 0.00 0.03 0.00 0.00 46.19 43.59 1t1r s LEU 145 CO 0.08 0.04 0.06 -0.76 0.23 0.00 0.00 176.35 176.00 1t1r s LEU 146 N 0.55 2.55 0.09 1.79 1.43 0.80 -4.91 118.68 120.97 1t1r s LEU 146 Ca 0.22 -1.55 -0.31 0.00 -1.03 0.00 0.00 54.13 51.46 1t1r s LEU 146 Cb -0.14 -1.00 -0.08 0.00 0.03 0.00 0.00 46.19 45.00 1t1r s LEU 146 CO 0.08 -0.37 1.57 -2.16 0.23 0.00 0.00 176.35 175.69 1t1r s PRO 147 N 1.50 4.23 0.03 1.29 0.04 -1.26 -1.01 135.00 139.82 1t1r s PRO 147 Ca 0.06 2.26 0.15 0.00 0.04 0.00 0.00 61.00 63.51 1t1r s PRO 147 Cb -0.18 -3.45 -0.17 0.00 0.04 0.00 0.00 34.50 30.74 1t1r s PRO 147 CO -0.18 -0.65 0.79 0.28 0.04 0.00 0.00 177.00 177.29 1t1r h VAL 148 N 4.58 0.68 -1.95 -0.36 2.07 -1.56 -3.34 116.25 116.38 1t1r h VAL 148 Ca -0.42 -2.33 -0.65 0.00 0.82 0.00 0.00 66.70 64.13 1t1r h VAL 148 Cb 1.20 2.22 0.08 0.00 -1.52 0.00 0.00 31.29 33.27 1t1r h VAL 148 CO 0.91 0.39 0.27 -0.67 0.02 0.00 0.00 177.57 178.49 1t1r n ASP 149 N -2.98 1.34 -0.30 0.57 2.03 -1.25 -4.61 116.55 111.34 1t1r n ASP 149 Ca -0.12 1.14 0.04 0.00 0.52 0.00 0.00 54.79 56.37 1t1r n ASP 149 Cb 0.93 -1.22 0.18 0.00 -0.72 0.00 0.00 41.12 40.29 1t1r n ASP 149 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1t1r h SER 150 N 3.34 0.70 0.04 1.67 0.87 -1.97 0.20 113.55 118.41 1t1r h SER 150 Ca -0.43 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1t1r h SER 150 Cb 1.34 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1t1r h SER 150 CO 0.70 0.39 -0.02 -0.33 -0.53 0.00 0.00 176.83 177.04 1t1r h GLU 151 N 0.81 -0.06 -0.24 2.24 3.07 -1.89 -1.92 114.58 116.60 1t1r h GLU 151 Ca 0.42 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.21 1t1r h GLU 151 Cb 0.41 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1t1r h GLU 151 CO -0.26 0.43 -0.17 0.45 -1.40 0.00 0.00 179.01 178.06 1t1r h HIS 152 N -0.57 0.44 -0.37 4.33 3.86 -1.86 -1.70 115.15 119.28 1t1r h HIS 152 Ca -0.01 -0.07 -0.14 0.00 -1.16 0.00 0.00 60.37 58.99 1t1r h HIS 152 Cb 0.51 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 1t1r h HIS 152 CO 0.09 0.57 -0.32 -0.97 0.86 0.00 0.00 177.93 178.17 1t1r h ASN 153 N 0.38 0.87 -0.71 2.45 -1.24 -0.64 0.17 115.58 116.85 1t1r h ASN 153 Ca 0.07 -0.36 -0.03 0.00 0.71 0.00 0.00 56.30 56.68 1t1r h ASN 153 Cb 0.52 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.30 1t1r h ASN 153 CO 0.03 1.11 0.32 0.00 -1.29 0.00 0.00 177.43 177.60 1t1r h ALA 154 N 0.94 0.92 -0.27 1.57 0.00 -0.83 -0.06 119.26 121.54 1t1r h ALA 154 Ca 0.07 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1t1r h ALA 154 Cb 0.87 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1t1r h ALA 154 CO 0.08 0.52 -0.10 0.82 0.00 0.00 0.00 179.25 180.56 1t1r h ILE 155 N 1.01 1.29 -0.13 0.00 2.04 -1.12 -2.32 117.51 118.28 1t1r h ILE 155 Ca 0.24 -1.16 0.05 0.00 1.00 0.00 0.00 64.86 64.99 1t1r h ILE 155 Cb 0.16 1.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 1t1r h ILE 155 CO -0.03 0.36 -0.23 0.15 0.00 0.00 0.00 178.15 178.40 1t1r h PHE 156 N 0.28 -0.62 0.00 1.37 3.57 -0.19 -0.20 116.94 121.15 1t1r h PHE 156 Ca 0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1t1r h PHE 156 Cb 0.59 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 1t1r h PHE 156 CO 0.06 -0.32 -0.02 1.96 -2.23 0.00 0.00 178.31 177.76 1t1r h GLN 157 N -0.30 0.00 -0.02 1.11 4.20 -0.93 -1.42 115.11 117.75 1t1r h GLN 157 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1t1r h GLN 157 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1t1r h GLN 157 CO -0.30 0.02 -0.13 0.43 -0.67 0.00 0.00 178.83 178.18 1t1r n SER 158 N -3.48 1.84 -4.90 1.46 7.64 -0.20 -4.92 113.62 111.05 1t1r n SER 158 Ca -0.03 -1.48 -0.29 0.00 1.01 0.00 0.00 58.87 58.08 1t1r n SER 158 Cb 0.11 0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.38 1t1r n SER 158 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1t1r s LEU 159 N -2.19 4.03 0.65 -3.43 1.02 -0.53 -4.77 118.68 113.47 1t1r s LEU 159 Ca 0.29 0.75 -0.15 0.00 0.02 0.00 0.00 54.13 55.04 1t1r s LEU 159 Cb 0.20 -3.57 -0.00 0.00 0.02 0.00 0.00 46.19 42.84 1t1r s LEU 159 CO 0.40 -0.22 1.11 -2.16 0.02 0.00 0.00 176.35 175.51 1t1r s PRO 160 N -3.61 2.82 0.21 1.29 0.04 -1.26 -4.81 135.00 129.68 1t1r s PRO 160 Ca 0.44 1.42 -0.10 0.00 0.04 0.00 0.00 61.00 62.80 1t1r s PRO 160 Cb -0.11 -1.95 0.28 0.00 0.04 0.00 0.00 34.50 32.77 1t1r s PRO 160 CO 0.30 -1.24 1.71 0.37 0.04 0.00 0.00 177.00 178.18 1t1r h GLN 161 N 0.11 0.25 -0.62 4.56 4.15 -1.97 -1.74 115.11 119.84 1t1r h GLN 161 Ca -0.47 -0.01 0.17 0.00 0.77 0.00 0.00 58.65 59.10 1t1r h GLN 161 Cb 1.25 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.86 1t1r h GLN 161 CO 0.54 0.16 0.44 -1.35 -1.93 0.00 0.00 178.83 176.69 1t1r h PRO 162 N 0.25 0.05 0.23 -2.39 0.11 -1.93 -0.68 132.00 127.65 1t1r h PRO 162 Ca 0.31 -0.00 -0.34 0.00 0.11 0.00 0.00 66.00 66.07 1t1r h PRO 162 Cb 0.45 -0.01 0.03 0.00 0.11 0.00 0.00 31.00 31.58 1t1r h PRO 162 CO -0.40 0.03 -1.58 0.82 -0.21 0.00 0.00 178.00 176.67 1t1r h ILE 163 N 0.05 1.15 -0.89 4.15 2.04 -1.69 -3.29 117.51 119.03 1t1r h ILE 163 Ca 0.29 -2.62 0.13 0.00 1.00 0.00 0.00 64.86 63.67 1t1r h ILE 163 Cb 1.10 2.94 -0.09 0.00 -0.74 0.00 0.00 36.82 40.03 1t1r h ILE 163 CO -0.02 0.83 0.51 1.56 0.00 0.00 0.00 178.15 181.02 1t1r h GLN 164 N 0.12 0.73 -6.74 2.37 4.20 -0.56 -2.79 115.11 112.44 1t1r h GLN 164 Ca -0.29 -0.04 -0.50 0.00 0.06 0.00 0.00 58.65 57.87 1t1r h GLN 164 Cb 2.14 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.76 1t1r h GLN 164 CO 0.24 0.48 0.03 -1.01 -0.67 0.00 0.00 178.83 177.90 1t1r s HIS 165 N -5.97 3.48 -1.63 2.96 3.76 -0.39 -3.75 115.29 113.75 1t1r s HIS 165 Ca -0.12 0.89 -0.03 0.00 -0.15 0.00 0.00 55.06 55.65 1t1r s HIS 165 Cb 0.22 -2.32 0.00 0.00 1.11 0.00 0.00 32.58 31.60 1t1r s HIS 165 CO 0.79 -0.03 0.40 0.09 -0.85 0.00 0.00 174.74 175.14 1t1r n ASN 166 N -1.29 -6.03 -4.67 1.40 4.13 -1.26 -4.77 115.26 102.77 1t1r n ASN 166 Ca 0.01 -0.20 -0.42 0.00 1.68 0.00 0.00 54.58 55.65 1t1r n ASN 166 Cb 0.54 -4.92 -0.03 0.00 -1.54 0.00 0.00 39.78 33.84 1t1r n ASN 166 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1t1r s LEU 167 N -6.47 4.30 0.00 3.41 2.96 -1.05 -2.36 118.68 119.47 1t1r s LEU 167 Ca 0.20 2.12 0.00 0.00 -0.22 0.00 0.00 54.13 56.23 1t1r s LEU 167 Cb -0.09 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.05 1t1r s LEU 167 CO 0.25 -0.82 0.00 0.61 -1.32 0.00 0.00 176.35 175.08 1t1r n GLY 168 N 3.84 1.92 0.00 7.98 0.00 -1.12 -4.78 105.19 113.04 1t1r n GLY 168 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1t1r n GLY 168 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1t1r n TYR 169 N -0.21 0.00 -2.68 1.61 0.18 -1.18 -4.45 117.16 110.43 1t1r n TYR 169 Ca 0.00 -0.08 -0.32 0.00 1.88 0.00 0.00 57.90 59.37 1t1r n TYR 169 Cb 0.00 -0.01 -0.05 0.00 -0.38 0.00 0.00 39.34 38.90 1t1r n TYR 169 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1t1r s ALA 170 N -0.17 3.12 -0.42 -3.48 0.00 -0.99 -5.02 121.76 114.80 1t1r s ALA 170 Ca 0.00 0.20 -0.24 0.00 0.00 0.00 0.00 51.96 51.92 1t1r s ALA 170 Cb 0.00 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 20.09 1t1r s ALA 170 CO 0.00 -0.02 0.82 0.34 0.00 0.00 0.00 175.76 176.90 1t1r s ASP 171 N -2.68 6.49 0.07 0.00 3.68 -1.26 -4.79 116.67 118.18 1t1r s ASP 171 Ca 0.59 0.13 -0.37 0.00 2.13 0.00 0.00 52.55 55.02 1t1r s ASP 171 Cb -0.10 -2.40 -0.20 0.00 -1.45 0.00 0.00 42.92 38.77 1t1r s ASP 171 CO 0.23 -0.87 1.58 -0.07 0.13 0.00 0.00 175.17 176.17 1t1r h LEU 172 N 10.07 -1.16 -1.00 -1.34 3.38 -1.85 -2.93 115.31 120.48 1t1r h LEU 172 Ca -0.25 0.05 0.10 0.00 0.09 0.00 0.00 57.88 57.88 1t1r h LEU 172 Cb 1.09 0.32 -0.08 0.00 0.09 0.00 0.00 40.66 42.08 1t1r h LEU 172 CO 0.96 -0.76 0.64 -0.08 0.09 0.00 0.00 178.44 179.28 1t1r h GLU 173 N -1.24 1.02 0.00 1.13 4.81 -1.94 0.32 114.58 118.67 1t1r h GLU 173 Ca -0.12 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1t1r h GLU 173 Cb 0.97 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1t1r h GLU 173 CO 0.16 0.67 0.00 0.37 -0.73 0.00 0.00 179.01 179.48 1t1r h GLN 174 N 1.05 0.00 -0.40 1.92 4.15 -1.87 -1.74 115.11 118.22 1t1r h GLN 174 Ca 0.48 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.81 1t1r h GLN 174 Cb 0.40 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.03 1t1r h GLN 174 CO -0.24 0.00 0.05 0.09 -1.93 0.00 0.00 178.83 176.80 1t1r n ASN 175 N -2.69 3.88 -0.24 -0.69 4.13 0.06 -4.95 115.26 114.75 1t1r n ASN 175 Ca -0.01 -3.23 -0.03 0.00 1.68 0.00 0.00 54.58 52.99 1t1r n ASN 175 Cb 0.12 -0.62 -0.01 0.00 -1.54 0.00 0.00 39.78 37.73 1t1r n ASN 175 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1t1r n GLY 176 N -0.52 0.62 3.67 7.41 0.00 -0.65 -4.93 105.19 110.78 1t1r n GLY 176 Ca 0.29 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1t1r n GLY 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t1r s VAL 177 N -1.99 5.20 -0.18 1.61 1.01 -0.96 0.30 120.40 125.40 1t1r s VAL 177 Ca 0.00 0.70 -0.22 0.00 0.00 0.00 0.00 61.98 62.46 1t1r s VAL 177 Cb 0.00 -3.73 -0.19 0.00 0.00 0.00 0.00 36.38 32.47 1t1r s VAL 177 CO 0.00 0.25 0.34 0.58 0.00 0.00 0.00 175.10 176.26 1t1r h VAL 178 N 5.05 1.05 -3.19 2.92 2.07 -1.39 -3.31 116.25 119.46 1t1r h VAL 178 Ca -0.36 -2.06 0.01 0.00 0.82 0.00 0.00 66.70 65.11 1t1r h VAL 178 Cb 1.16 2.27 -0.08 0.00 -1.52 0.00 0.00 31.29 33.12 1t1r h VAL 178 CO 0.71 0.36 0.11 -0.94 0.02 0.00 0.00 177.57 177.83 1t1r s SER 179 N -6.50 -0.27 -0.20 0.57 1.04 -1.17 -4.58 113.70 102.59 1t1r s SER 179 Ca -0.23 -0.54 -0.04 0.00 0.48 0.00 0.00 55.95 55.61 1t1r s SER 179 Cb 0.03 0.65 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 1t1r s SER 179 CO 0.56 -1.18 -0.03 -0.63 0.98 0.00 0.00 173.24 172.94 1t1r s ILE 180 N -3.90 3.62 -0.48 -1.02 1.01 0.10 -1.46 121.20 119.07 1t1r s ILE 180 Ca 0.11 -0.42 -0.15 0.00 0.00 0.00 0.00 60.65 60.19 1t1r s ILE 180 Cb -0.03 -2.63 0.08 0.00 0.01 0.00 0.00 42.46 39.89 1t1r s ILE 180 CO 0.02 0.43 0.40 -0.76 0.00 0.00 0.00 174.94 175.03 1t1r s LEU 181 N 1.16 5.68 -0.24 2.97 1.43 0.25 -1.46 118.68 128.48 1t1r s LEU 181 Ca 0.02 -1.41 -0.18 0.00 -1.03 0.00 0.00 54.13 51.53 1t1r s LEU 181 Cb -0.15 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 1t1r s LEU 181 CO 0.00 -0.67 0.51 -0.22 0.23 0.00 0.00 176.35 176.20 1t1r s LEU 182 N 1.62 4.09 0.08 1.79 2.96 -0.50 0.20 118.68 128.92 1t1r s LEU 182 Ca 0.04 0.58 0.04 0.00 -0.22 0.00 0.00 54.13 54.57 1t1r s LEU 182 Cb -0.25 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 1t1r s LEU 182 CO 0.06 -0.24 0.01 0.42 -1.32 0.00 0.00 176.35 175.27 1t1r s THR 183 N 2.03 4.07 0.06 3.68 -4.23 -1.26 -1.37 115.64 118.61 1t1r s THR 183 Ca 0.22 -0.93 -0.09 0.00 -1.18 0.00 0.00 61.69 59.72 1t1r s THR 183 Cb -0.15 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1t1r s THR 183 CO 0.09 0.15 0.19 -0.83 -0.54 0.00 0.00 174.62 173.68 1t1r s GLY 184 N -2.22 0.06 0.34 3.99 0.00 -0.83 -4.89 107.32 103.76 1t1r s GLY 184 Ca 0.25 -0.41 0.17 0.00 0.00 0.00 0.00 44.72 44.73 1t1r s GLY 184 CO 0.18 -0.59 1.65 1.48 0.00 0.00 0.00 173.10 175.82 1t1r h SER 185 N 3.22 0.00 0.00 1.64 4.64 -1.87 0.32 113.55 121.50 1t1r h SER 185 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1t1r h SER 185 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1t1r h SER 185 CO 0.51 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 177.54 1t1r n GLY 186 N 0.44 0.64 4.13 -0.77 0.00 -1.26 -3.92 105.19 104.46 1t1r n GLY 186 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1t1r n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t1r n GLY 187 N -2.00 -2.06 0.19 -0.02 0.00 -1.20 -3.82 105.19 96.28 1t1r n GLY 187 Ca 0.00 -1.42 0.07 0.00 0.00 0.00 0.00 46.02 44.67 1t1r n GLY 187 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t1r h PRO 188 N 0.00 0.00 -0.91 1.61 0.13 -1.85 -3.25 132.00 127.74 1t1r h PRO 188 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.84 1t1r h PRO 188 Cb 0.08 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.03 1t1r h PRO 188 CO 0.00 0.33 0.37 1.19 -0.23 0.00 0.00 178.00 179.67 1t1r n PHE 189 N -3.37 2.19 -0.11 1.56 0.99 -1.26 -4.56 117.46 112.90 1t1r n PHE 189 Ca 0.01 -1.28 -0.08 0.00 -0.00 0.00 0.00 57.45 56.10 1t1r n PHE 189 Cb 0.54 -0.69 0.00 0.00 -1.00 0.00 0.00 39.48 38.33 1t1r n PHE 189 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 1t1r h ARG 190 N 1.44 0.43 -0.31 -1.08 2.43 -1.66 -3.15 114.38 112.48 1t1r h ARG 190 Ca 0.36 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1t1r h ARG 190 Cb 2.24 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.70 1t1r h ARG 190 CO 0.73 0.28 0.00 0.39 -1.51 0.00 0.00 179.97 179.87 1t1r n GLU 191 N -4.88 2.21 -2.12 0.20 1.02 -1.26 -5.00 120.64 110.81 1t1r n GLU 191 Ca 0.01 -2.04 -0.41 0.00 -0.02 0.00 0.00 57.16 54.70 1t1r n GLU 191 Cb 0.06 -1.41 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 1t1r n GLU 191 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1t1r s THR 192 N -1.28 2.76 0.22 2.62 2.01 -1.19 -4.94 115.64 115.83 1t1r s THR 192 Ca 0.31 0.75 -0.31 0.00 0.31 0.00 0.00 61.69 62.75 1t1r s THR 192 Cb 0.18 -3.48 -0.11 0.00 0.01 0.00 0.00 72.50 69.10 1t1r s THR 192 CO 0.25 0.17 1.63 -2.84 -0.69 0.00 0.00 174.62 173.14 1t1r s PRO 193 N -1.62 4.16 0.43 4.92 0.02 -1.26 -4.85 135.00 136.80 1t1r s PRO 193 Ca 0.50 2.51 0.25 0.00 0.02 0.00 0.00 61.00 64.28 1t1r s PRO 193 Cb -0.39 -3.08 1.28 0.00 0.02 0.00 0.00 34.50 32.33 1t1r s PRO 193 CO 0.51 -0.66 1.71 -0.07 -0.33 0.00 0.00 177.00 178.16 1t1r h LEU 194 N 6.14 0.32 -2.11 -5.54 3.38 -1.96 0.23 115.31 115.76 1t1r h LEU 194 Ca -0.44 0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.66 1t1r h LEU 194 Cb 1.21 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 1t1r h LEU 194 CO 0.89 -0.04 0.09 0.03 0.09 0.00 0.00 178.44 179.50 1t1r h ARG 195 N 0.23 0.00 -0.01 1.13 -0.00 -2.02 -2.31 114.38 111.39 1t1r h ARG 195 Ca 0.70 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.18 1t1r h ARG 195 Cb 2.05 0.00 0.00 0.00 0.00 0.00 0.00 29.97 32.02 1t1r h ARG 195 CO -0.33 0.00 -0.43 -0.25 0.00 0.00 0.00 179.97 178.97 1t1r n ASP 196 N -4.29 1.20 -0.26 7.04 10.43 0.80 -4.28 116.55 127.19 1t1r n ASP 196 Ca -0.00 -0.96 0.01 0.00 2.57 0.00 0.00 54.79 56.41 1t1r n ASP 196 Cb 0.21 0.33 0.22 0.00 1.84 0.00 0.00 41.12 43.72 1t1r n ASP 196 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1t1r h LEU 197 N 1.21 0.92 -2.37 0.64 3.38 -1.43 -1.63 115.31 116.03 1t1r h LEU 197 Ca 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1t1r h LEU 197 Cb 0.57 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1t1r h LEU 197 CO 0.00 0.66 -0.03 0.00 0.09 0.00 0.00 178.44 179.16 1t1r h ALA 198 N 1.50 1.14 -0.02 1.53 0.00 -1.76 -2.61 119.26 119.03 1t1r h ALA 198 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1t1r h ALA 198 Cb -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1t1r h ALA 198 CO -0.07 0.04 -0.07 0.25 0.00 0.00 0.00 179.25 179.39 1t1r n THR 199 N -3.32 0.00 -1.74 0.00 -2.24 -0.63 -4.34 114.28 102.01 1t1r n THR 199 Ca -0.02 -0.47 -0.42 0.00 -2.27 0.00 0.00 64.05 60.88 1t1r n THR 199 Cb 0.16 1.37 -0.00 0.00 -2.10 0.00 0.00 70.33 69.76 1t1r n THR 199 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1t1r n MET 200 N 0.89 2.39 -3.52 -0.78 2.00 -0.98 -5.00 117.12 112.11 1t1r n MET 200 Ca 0.11 0.84 -0.23 0.00 0.00 0.00 0.00 57.70 58.42 1t1r n MET 200 Cb 0.47 -2.51 -0.01 0.00 0.00 0.00 0.00 33.22 31.17 1t1r n MET 200 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1t1r s THR 201 N -1.12 5.01 0.25 2.03 -1.32 -1.26 -4.37 115.64 114.87 1t1r s THR 201 Ca 0.55 -0.65 -0.03 0.00 -1.21 0.00 0.00 61.69 60.35 1t1r s THR 201 Cb -0.51 -3.81 0.23 0.00 -1.51 0.00 0.00 72.50 66.90 1t1r s THR 201 CO 0.63 -0.45 1.84 -0.65 -2.21 0.00 0.00 174.62 173.77 1t1r h PRO 202 N 0.85 0.91 -0.40 7.08 0.11 -1.93 0.19 132.00 138.81 1t1r h PRO 202 Ca -0.50 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.48 1t1r h PRO 202 Cb 1.23 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1t1r h PRO 202 CO 0.60 0.60 -0.08 -0.44 -0.21 0.00 0.00 178.00 178.47 1t1r h ASP 203 N 0.93 0.67 -0.24 -2.05 3.32 -1.97 -1.16 116.42 115.92 1t1r h ASP 203 Ca 0.41 -0.18 -0.15 0.00 0.02 0.00 0.00 57.03 57.14 1t1r h ASP 203 Cb 0.30 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1t1r h ASP 203 CO -0.22 0.79 -0.43 1.56 -1.72 0.00 0.00 179.24 179.22 1t1r h GLN 204 N 0.63 0.72 0.00 3.56 4.20 -1.72 -2.97 115.11 119.52 1t1r h GLN 204 Ca 0.12 -0.45 -0.03 0.00 0.06 0.00 0.00 58.65 58.35 1t1r h GLN 204 Cb 0.51 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 1t1r h GLN 204 CO 0.03 1.07 -0.13 0.00 -0.67 0.00 0.00 178.83 179.13 1t1r h ALA 205 N 0.64 1.18 -0.13 3.87 0.00 -0.80 -2.51 119.26 121.50 1t1r h ALA 205 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1t1r h ALA 205 Cb 1.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1t1r h ALA 205 CO 0.10 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1t1r s ARG 207 N -1.83 3.49 0.11 0.00 0.52 -0.95 -4.91 118.95 115.38 1t1r s ARG 207 Ca 0.32 -1.54 -0.31 0.00 -0.52 0.00 0.00 55.73 53.69 1t1r s ARG 207 Cb 0.17 -4.79 -0.08 0.00 0.52 0.00 0.00 34.95 30.77 1t1r s ARG 207 CO 0.26 -1.80 1.49 -1.58 0.02 0.00 0.00 175.30 173.70 1t1r s HIS 208 N 3.08 3.00 0.26 -0.53 5.65 -1.26 -4.39 115.29 121.09 1t1r s HIS 208 Ca 0.31 0.73 -0.11 0.00 0.25 0.00 0.00 55.06 56.24 1t1r s HIS 208 Cb -0.07 -3.81 0.38 0.00 -1.18 0.00 0.00 32.58 27.90 1t1r s HIS 208 CO -0.05 -2.97 1.57 -1.00 -0.65 0.00 0.00 174.74 171.64 1t1r h PRO 209 N 7.18 -0.01 0.00 2.88 0.13 -1.94 -3.40 132.00 136.84 1t1r h PRO 209 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1t1r h PRO 209 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1t1r h PRO 209 CO 0.90 -0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.75 1t1r n ASN 210 N -5.57 0.00 -4.95 1.44 4.13 -1.26 -5.08 115.26 103.98 1t1r n ASN 210 Ca 0.13 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 56.15 1t1r n ASN 210 Cb 0.45 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.71 1t1r n ASN 210 CO 0.00 0.00 0.00 -1.66 0.28 0.00 0.00 177.26 175.88 1t1r s TRP 211 N 0.00 3.13 0.06 3.10 -2.14 -1.26 -5.09 118.94 116.74 1t1r s TRP 211 Ca 0.00 0.31 -0.09 0.00 2.66 0.00 0.00 56.10 58.98 1t1r s TRP 211 Cb 0.00 -2.59 -0.05 0.00 -3.10 0.00 0.00 33.47 27.73 1t1r s TRP 211 CO 0.00 -0.67 0.36 0.45 -2.66 0.00 0.00 176.95 174.43 1t1r s SER 212 N -4.31 6.60 0.36 -2.66 0.15 -1.26 -4.56 113.70 108.02 1t1r s SER 212 Ca 0.53 0.73 -0.11 0.00 0.70 0.00 0.00 55.95 57.79 1t1r s SER 212 Cb -0.10 -2.15 0.05 0.00 -1.71 0.00 0.00 66.02 62.10 1t1r s SER 212 CO 0.40 0.20 0.68 1.15 1.20 0.00 0.00 173.24 176.87 1t1r n MET 213 N 0.99 0.98 -0.92 5.44 0.00 -1.26 -5.12 117.12 117.23 1t1r n MET 213 Ca -0.09 -2.18 -0.34 0.00 0.00 0.00 0.00 57.70 55.09 1t1r n MET 213 Cb 0.52 2.57 0.11 0.00 0.00 0.00 0.00 33.22 36.43 1t1r n MET 213 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1t1r n GLY 214 N -0.51 -1.62 0.20 3.17 0.00 -1.26 -4.78 105.19 100.39 1t1r n GLY 214 Ca -0.07 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 1t1r n GLY 214 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1t1r h ARG 215 N -1.25 0.62 -0.14 1.61 3.08 -1.98 -0.95 114.38 115.36 1t1r h ARG 215 Ca -0.44 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.37 1t1r h ARG 215 Cb 1.30 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 1t1r h ARG 215 CO 0.38 0.79 0.06 -0.22 -1.07 0.00 0.00 179.97 179.90 1t1r h LYS 216 N 0.40 0.21 0.00 0.04 1.63 -1.97 -1.54 116.57 115.34 1t1r h LYS 216 Ca 0.08 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1t1r h LYS 216 Cb 0.56 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1t1r h LYS 216 CO 0.03 0.31 -0.03 -0.84 -3.45 0.00 0.00 179.45 175.46 1t1r h ILE 217 N 0.07 0.08 -0.06 2.00 3.07 -1.94 -1.84 117.51 118.89 1t1r h ILE 217 Ca 0.05 -0.65 -0.16 0.00 1.55 0.00 0.00 64.86 65.64 1t1r h ILE 217 Cb 0.17 1.60 0.01 0.00 -0.27 0.00 0.00 36.82 38.34 1t1r h ILE 217 CO -0.00 0.03 -0.59 0.28 -1.05 0.00 0.00 178.15 176.82 1t1r h SER 218 N 0.00 0.63 -0.67 2.16 0.02 -0.84 -2.58 113.55 112.27 1t1r h SER 218 Ca -0.00 -0.69 -0.04 0.00 -0.84 0.00 0.00 61.79 60.22 1t1r h SER 218 Cb 0.60 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 1t1r h SER 218 CO 0.00 1.22 0.27 0.58 -1.14 0.00 0.00 176.83 177.77 1t1r h VAL 219 N 0.08 1.24 -0.01 2.27 2.07 -1.03 -0.98 116.25 119.90 1t1r h VAL 219 Ca -0.06 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1t1r h VAL 219 Cb 1.26 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1t1r h VAL 219 CO 0.12 0.31 -0.20 0.44 0.02 0.00 0.00 177.57 178.25 1t1r h ASP 220 N 1.01 0.01 1.00 0.57 3.45 -1.34 -1.16 116.42 119.95 1t1r h ASP 220 Ca 0.23 -0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.55 1t1r h ASP 220 Cb 0.20 -0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 1t1r h ASP 220 CO -0.02 0.21 -0.68 -1.28 -1.57 0.00 0.00 179.24 175.91 1t1r h SER 221 N 0.01 0.00 1.14 6.45 0.87 -0.80 0.65 113.55 121.87 1t1r h SER 221 Ca -0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 1t1r h SER 221 Cb 0.36 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 1t1r h SER 221 CO 0.03 0.68 -0.71 0.00 -0.53 0.00 0.00 176.83 176.29 1t1r h ALA 222 N 1.32 0.59 -0.01 6.23 0.00 -0.26 -3.15 119.26 123.99 1t1r h ALA 222 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1t1r h ALA 222 Cb 1.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1t1r h ALA 222 CO 0.09 0.89 -0.79 0.25 0.00 0.00 0.00 179.25 179.69 1t1r n THR 223 N -3.36 0.00 -1.46 0.00 -2.24 -0.54 -4.78 114.28 101.90 1t1r n THR 223 Ca 0.01 -0.09 -0.16 0.00 -2.27 0.00 0.00 64.05 61.54 1t1r n THR 223 Cb 0.79 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 70.01 1t1r n THR 223 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1t1r n MET 224 N -0.97 -1.14 0.12 -0.78 0.00 -0.10 -4.27 117.12 109.97 1t1r n MET 224 Ca 0.06 1.06 0.00 0.00 0.00 0.00 0.00 57.70 58.82 1t1r n MET 224 Cb 0.38 -5.24 0.31 0.00 0.00 0.00 0.00 33.22 28.67 1t1r n MET 224 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 1t1r h MET 225 N 0.01 0.20 -0.83 0.03 1.85 -1.28 -1.65 114.93 113.26 1t1r h MET 225 Ca -0.32 -0.07 0.02 0.00 -0.61 0.00 0.00 59.70 58.71 1t1r h MET 225 Cb 1.05 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 33.02 1t1r h MET 225 CO 0.48 0.48 0.55 -2.95 -0.40 0.00 0.00 176.91 175.07 1t1r h ASN 226 N 0.18 0.94 0.25 1.39 -0.00 -1.73 0.38 115.58 116.99 1t1r h ASN 226 Ca 0.03 -0.02 -0.08 0.00 -0.00 0.00 0.00 56.30 56.22 1t1r h ASN 226 Cb 0.61 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.69 1t1r h ASN 226 CO 0.04 0.67 -0.34 0.50 -0.00 0.00 0.00 177.43 178.30 1t1r h LYS 227 N 1.10 0.14 -0.19 4.14 1.63 -1.62 0.16 116.57 121.94 1t1r h LYS 227 Ca 0.31 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 60.00 1t1r h LYS 227 Cb -0.09 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.53 1t1r h LYS 227 CO -0.08 0.47 -0.10 0.78 -3.45 0.00 0.00 179.45 177.07 1t1r h GLY 228 N 1.10 0.43 1.14 5.01 0.00 -0.06 0.84 103.07 111.53 1t1r h GLY 228 Ca 0.01 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1t1r h GLY 228 CO 0.05 0.36 0.17 1.41 0.00 0.00 0.00 176.54 178.53 1t1r h LEU 229 N 0.09 1.01 -1.22 3.11 3.38 -0.08 -1.73 115.31 119.86 1t1r h LEU 229 Ca 0.04 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 1t1r h LEU 229 Cb 0.59 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1t1r h LEU 229 CO 0.03 0.97 -0.19 -0.33 0.09 0.00 0.00 178.44 179.01 1t1r h GLU 230 N 1.02 0.31 0.07 1.13 5.08 -0.83 -0.82 114.58 120.54 1t1r h GLU 230 Ca 0.22 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1t1r h GLU 230 Cb 0.35 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1t1r h GLU 230 CO 0.00 0.49 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.55 1t1r h TYR 231 N 0.28 -0.09 -0.16 4.33 3.20 -0.16 0.62 116.97 124.99 1t1r h TYR 231 Ca 0.05 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.96 1t1r h TYR 231 Cb 0.50 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 1t1r h TYR 231 CO 0.01 0.05 -0.08 0.82 -1.64 0.00 0.00 178.16 177.32 1t1r h ILE 232 N -0.21 0.74 -0.43 1.81 2.04 -0.93 -1.65 117.51 118.87 1t1r h ILE 232 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1t1r h ILE 232 Cb 0.18 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1t1r h ILE 232 CO 0.02 0.00 0.25 -0.33 0.00 0.00 0.00 178.15 178.09 1t1r h GLU 233 N -0.07 0.49 -0.79 2.37 5.08 -1.00 -2.75 114.58 117.91 1t1r h GLU 233 Ca 0.09 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1t1r h GLU 233 Cb 0.20 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1t1r h GLU 233 CO -0.21 0.32 0.50 0.00 -1.00 0.00 0.00 179.01 178.63 1t1r h ALA 234 N 1.20 1.03 -0.42 3.43 0.00 -0.54 0.24 119.26 124.20 1t1r h ALA 234 Ca 0.17 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1t1r h ALA 234 Cb 0.02 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1t1r h ALA 234 CO -0.08 0.31 0.16 0.00 0.00 0.00 0.00 179.25 179.64 1t1r h ARG 235 N 0.98 0.33 -0.11 0.00 2.47 -1.02 0.13 114.38 117.15 1t1r h ARG 235 Ca 0.31 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.98 1t1r h ARG 235 Cb 0.01 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.26 1t1r h ARG 235 CO -0.11 0.22 -0.05 -1.49 0.56 0.00 0.00 179.97 179.09 1t1r h TRP 236 N 0.34 0.26 -0.65 3.04 4.06 -1.20 -1.54 115.95 120.25 1t1r h TRP 236 Ca 0.20 -0.06 -0.01 0.00 2.06 0.00 0.00 58.89 61.07 1t1r h TRP 236 Cb 0.17 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.24 1t1r h TRP 236 CO -0.14 0.58 0.37 1.25 -3.56 0.00 0.00 178.44 176.94 1t1r h LEU 237 N -0.14 0.80 -3.09 -4.49 5.85 -0.27 -3.17 115.31 110.80 1t1r h LEU 237 Ca 0.02 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1t1r h LEU 237 Cb 0.51 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1t1r h LEU 237 CO 0.02 0.65 0.00 0.49 -0.34 0.00 0.00 178.44 179.26 1t1r n PHE 238 N -4.55 0.90 -3.89 1.25 3.01 0.42 -2.77 117.46 111.83 1t1r n PHE 238 Ca 0.05 -0.66 -0.30 0.00 1.01 0.00 0.00 57.45 57.54 1t1r n PHE 238 Cb 0.07 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 1t1r n PHE 238 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1t1r n ASN 239 N 0.30 -2.40 -4.59 4.37 5.15 -0.66 -4.74 115.26 112.69 1t1r n ASN 239 Ca 0.19 -1.06 -0.33 0.00 -0.60 0.00 0.00 54.58 52.78 1t1r n ASN 239 Cb 0.72 -2.94 -0.11 0.00 -0.53 0.00 0.00 39.78 36.92 1t1r n ASN 239 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1t1r s ALA 240 N -3.76 3.02 0.86 5.20 0.00 -0.74 -4.68 121.76 121.66 1t1r s ALA 240 Ca 0.22 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 1t1r s ALA 240 Cb -0.09 -1.21 0.16 0.00 0.00 0.00 0.00 23.12 21.98 1t1r s ALA 240 CO 0.89 0.59 1.19 -1.54 0.00 0.00 0.00 175.76 176.90 1t1r s SER 241 N -1.03 3.67 0.26 0.00 1.04 -1.26 -4.69 113.70 111.69 1t1r s SER 241 Ca 0.14 0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.64 1t1r s SER 241 Cb -0.11 -0.30 0.35 0.00 0.10 0.00 0.00 66.02 66.06 1t1r s SER 241 CO 0.04 -2.35 1.79 0.00 0.98 0.00 0.00 173.24 173.69 1t1r h ALA 242 N -1.20 1.14 0.00 5.32 0.00 -2.00 -2.43 119.26 120.10 1t1r h ALA 242 Ca -0.42 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1t1r h ALA 242 Cb 1.25 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1t1r h ALA 242 CO 0.41 0.56 0.00 -1.13 0.00 0.00 0.00 179.25 179.10 1t1r n SER 243 N -4.24 0.00 -1.16 0.00 3.41 -1.26 -2.59 113.62 107.77 1t1r n SER 243 Ca 0.03 0.14 0.11 0.00 -0.26 0.00 0.00 58.87 58.89 1t1r n SER 243 Cb 0.27 -0.37 0.26 0.00 -0.26 0.00 0.00 64.21 64.10 1t1r n SER 243 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t1r n GLN 244 N -1.37 2.61 -5.28 4.33 6.02 -0.92 -4.89 117.38 117.88 1t1r n GLN 244 Ca 0.10 -2.41 -0.31 0.00 -0.01 0.00 0.00 57.00 54.36 1t1r n GLN 244 Cb 0.24 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 29.84 1t1r n GLN 244 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1t1r s MET 245 N -1.15 2.27 0.01 -1.09 -1.94 -1.07 0.00 119.30 116.34 1t1r s MET 245 Ca 0.41 -0.91 0.01 0.00 -1.71 0.00 0.00 55.69 53.48 1t1r s MET 245 Cb 0.22 -2.09 -0.01 0.00 2.01 0.00 0.00 34.83 34.96 1t1r s MET 245 CO 0.30 0.50 -0.04 -1.21 -0.01 0.00 0.00 175.02 174.56 1t1r s GLU 246 N -0.46 0.29 -0.08 2.03 2.02 -0.53 -4.91 118.70 117.05 1t1r s GLU 246 Ca 0.05 -0.27 0.04 0.00 0.02 0.00 0.00 54.97 54.81 1t1r s GLU 246 Cb -0.11 -0.20 -0.01 0.00 0.10 0.00 0.00 34.13 33.91 1t1r s GLU 246 CO 0.01 0.05 -0.21 0.08 0.02 0.00 0.00 175.26 175.20 1t1r s VAL 247 N -0.45 2.37 -0.03 2.63 1.01 -1.26 -1.41 120.40 123.26 1t1r s VAL 247 Ca -0.03 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1t1r s VAL 247 Cb -0.04 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.46 1t1r s VAL 247 CO -0.00 0.56 0.01 -0.22 0.00 0.00 0.00 175.10 175.44 1t1r s LEU 248 N 0.02 1.15 0.01 3.92 2.96 -0.47 -4.47 118.68 121.79 1t1r s LEU 248 Ca -0.08 -0.02 -0.28 0.00 -0.22 0.00 0.00 54.13 53.53 1t1r s LEU 248 Cb -0.15 -0.20 -0.04 0.00 0.50 0.00 0.00 46.19 46.30 1t1r s LEU 248 CO 0.05 -0.11 0.91 -0.63 -1.32 0.00 0.00 176.35 175.26 1t1r s ILE 249 N 1.04 4.85 -0.38 6.68 1.01 -0.21 -1.97 121.20 132.21 1t1r s ILE 249 Ca -0.10 1.92 0.02 0.00 0.00 0.00 0.00 60.65 62.49 1t1r s ILE 249 Cb -0.13 -4.26 0.15 0.00 0.01 0.00 0.00 42.46 38.23 1t1r s ILE 249 CO -0.02 0.21 0.30 -2.28 0.00 0.00 0.00 174.94 173.15 1t1r s HIS 250 N 0.77 0.50 0.35 3.97 5.65 0.11 -1.16 115.29 125.49 1t1r s HIS 250 Ca 0.48 -1.60 0.17 0.00 0.25 0.00 0.00 55.06 54.36 1t1r s HIS 250 Cb -0.21 -0.75 1.19 0.00 -1.18 0.00 0.00 32.58 31.63 1t1r s HIS 250 CO 0.26 -0.88 1.63 -1.35 -0.65 0.00 0.00 174.74 173.75 1t1r h PRO 251 N 6.57 0.19 0.00 2.88 0.11 -1.74 -1.41 132.00 138.60 1t1r h PRO 251 Ca 0.11 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1t1r h PRO 251 Cb 0.98 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1t1r h PRO 251 CO 0.27 0.13 -0.04 1.96 -0.21 0.00 0.00 178.00 180.10 1t1r h GLN 252 N 0.20 0.00 -4.19 1.05 7.50 -1.90 -3.45 115.11 114.32 1t1r h GLN 252 Ca 0.78 0.00 -0.35 0.00 0.50 0.00 0.00 58.65 59.58 1t1r h GLN 252 Cb 1.90 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 29.42 1t1r h GLN 252 CO -0.67 0.04 -0.49 0.43 -1.50 0.00 0.00 178.83 176.64 1t1r n SER 253 N -3.13 -4.84 0.06 1.46 7.64 -0.53 -4.86 113.62 109.42 1t1r n SER 253 Ca 0.02 -0.10 -0.21 0.00 1.01 0.00 0.00 58.87 59.59 1t1r n SER 253 Cb 0.42 -4.01 -0.15 0.00 -1.01 0.00 0.00 64.21 59.47 1t1r n SER 253 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1t1r h VAL 254 N -0.58 1.36 -3.51 0.44 2.07 -1.86 -3.43 116.25 110.74 1t1r h VAL 254 Ca -0.43 -2.54 -0.53 0.00 0.82 0.00 0.00 66.70 64.02 1t1r h VAL 254 Cb 1.30 3.07 -0.03 0.00 -1.52 0.00 0.00 31.29 34.11 1t1r h VAL 254 CO 0.49 0.74 0.24 -0.63 0.02 0.00 0.00 177.57 178.43 1t1r s ILE 255 N -2.47 4.55 -0.36 4.57 1.01 -1.26 -2.32 121.20 124.92 1t1r s ILE 255 Ca -0.14 1.82 0.22 0.00 0.00 0.00 0.00 60.65 62.56 1t1r s ILE 255 Cb 0.02 -4.20 -0.17 0.00 0.01 0.00 0.00 42.46 38.12 1t1r s ILE 255 CO 0.84 0.38 0.84 1.41 0.00 0.00 0.00 174.94 178.42 1t1r n HIS 256 N 2.52 0.32 0.00 3.97 8.25 -0.24 -4.95 115.22 125.09 1t1r n HIS 256 Ca -0.01 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1t1r n HIS 256 Cb 0.49 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1t1r n HIS 256 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1t1r n SER 257 N -2.19 0.00 -3.58 0.41 7.64 -1.26 -4.32 113.62 110.32 1t1r n SER 257 Ca -0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.71 1t1r n SER 257 Cb 0.50 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.62 1t1r n SER 257 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1t1r s MET 258 N -2.00 1.63 -0.03 1.43 1.00 0.13 -3.29 119.30 118.18 1t1r s MET 258 Ca 0.00 -1.85 -0.01 0.00 0.00 0.00 0.00 55.69 53.83 1t1r s MET 258 Cb 0.00 0.33 0.03 0.00 0.00 0.00 0.00 34.83 35.19 1t1r s MET 258 CO 0.00 -0.60 0.04 0.08 0.00 0.00 0.00 175.02 174.53 1t1r s VAL 259 N -3.59 -0.07 -0.12 -6.03 1.01 -0.15 -0.58 120.40 110.87 1t1r s VAL 259 Ca 0.38 0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.54 1t1r s VAL 259 Cb 0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.27 1t1r s VAL 259 CO 0.22 0.11 0.21 -0.60 0.00 0.00 0.00 175.10 175.04 1t1r s ARG 260 N 1.38 3.76 0.28 2.72 3.52 -0.53 -0.64 118.95 129.44 1t1r s ARG 260 Ca -0.05 -0.02 0.10 0.00 -0.13 0.00 0.00 55.73 55.63 1t1r s ARG 260 Cb -0.13 -3.27 -0.05 0.00 -1.56 0.00 0.00 34.95 29.95 1t1r s ARG 260 CO -0.03 0.61 -0.05 0.71 -0.81 0.00 0.00 175.30 175.73 1t1r s TYR 261 N -0.60 2.58 0.33 5.12 2.02 0.85 -1.09 117.35 126.55 1t1r s TYR 261 Ca 0.16 -0.27 0.12 0.00 -0.37 0.00 0.00 57.07 56.70 1t1r s TYR 261 Cb -0.13 -1.17 0.98 0.00 -0.40 0.00 0.00 41.96 41.24 1t1r s TYR 261 CO 0.05 0.63 1.69 0.37 -1.57 0.00 0.00 175.55 176.72 1t1r h GLN 262 N 1.97 0.43 -0.08 -0.62 4.15 -0.46 -0.80 115.11 119.70 1t1r h GLN 262 Ca -0.43 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1t1r h GLN 262 Cb 1.25 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1t1r h GLN 262 CO 0.61 0.28 0.00 -0.40 -1.93 0.00 0.00 178.83 177.39 1t1r n ASP 263 N -4.98 0.75 0.00 -0.69 3.85 -1.26 -4.89 116.55 109.33 1t1r n ASP 263 Ca 0.29 -1.60 0.00 0.00 -0.71 0.00 0.00 54.79 52.77 1t1r n ASP 263 Cb 0.86 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 40.58 1t1r n ASP 263 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1t1r n GLY 264 N 0.92 3.00 3.71 6.12 0.00 -0.31 -5.07 105.19 113.57 1t1r n GLY 264 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1t1r n GLY 264 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t1r n SER 265 N 0.00 2.49 -3.90 1.61 7.64 -1.25 -4.70 113.62 115.51 1t1r n SER 265 Ca 0.00 1.04 -0.26 0.00 1.01 0.00 0.00 58.87 60.65 1t1r n SER 265 Cb 0.00 -1.52 -0.17 0.00 -1.01 0.00 0.00 64.21 61.51 1t1r n SER 265 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1t1r s VAL 266 N -1.26 0.97 -0.14 0.44 1.01 -1.26 -0.11 120.40 120.06 1t1r s VAL 266 Ca 0.66 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 62.32 1t1r s VAL 266 Cb -0.46 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1t1r s VAL 266 CO 0.54 0.36 0.07 -0.76 0.00 0.00 0.00 175.10 175.31 1t1r s LEU 267 N 1.67 3.95 0.09 3.92 1.43 0.19 -4.93 118.68 124.99 1t1r s LEU 267 Ca 0.04 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1t1r s LEU 267 Cb -0.13 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1t1r s LEU 267 CO -0.07 0.30 -0.08 0.00 0.23 0.00 0.00 176.35 176.73 1t1r s ALA 268 N -0.38 0.95 -0.10 4.21 0.00 -1.26 -0.98 121.76 124.20 1t1r s ALA 268 Ca 0.10 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 50.87 1t1r s ALA 268 Cb -0.12 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 1t1r s ALA 268 CO 0.02 -0.15 -0.19 -1.14 0.00 0.00 0.00 175.76 174.30 1t1r s GLN 269 N -3.20 3.04 0.21 0.00 -0.44 -1.21 -4.96 119.66 113.11 1t1r s GLN 269 Ca 0.07 -0.79 0.08 0.00 -2.50 0.00 0.00 55.36 52.22 1t1r s GLN 269 Cb 0.01 -2.42 -0.05 0.00 -1.64 0.00 0.00 33.01 28.91 1t1r s GLN 269 CO -0.03 0.28 -0.16 -0.51 0.50 0.00 0.00 175.29 175.37 1t1r s LEU 270 N 0.14 2.54 0.00 3.68 1.02 -1.26 -1.08 118.68 123.72 1t1r s LEU 270 Ca -0.10 -1.00 0.00 0.00 0.02 0.00 0.00 54.13 53.05 1t1r s LEU 270 Cb -0.16 -0.74 0.00 0.00 0.02 0.00 0.00 46.19 45.31 1t1r s LEU 270 CO 0.06 -0.13 0.00 0.61 0.02 0.00 0.00 176.35 176.91 1t1r n GLY 271 N -0.31 0.46 3.75 -3.19 0.00 -0.98 -4.96 105.19 99.97 1t1r n GLY 271 Ca -0.08 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 1t1r n GLY 271 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t1r s GLU 272 N -2.00 2.16 -1.48 1.61 0.41 -1.26 -4.77 118.70 113.37 1t1r s GLU 272 Ca 0.00 1.27 -0.10 0.00 -0.41 0.00 0.00 54.97 55.73 1t1r s GLU 272 Cb 0.00 -1.88 0.02 0.00 -1.78 0.00 0.00 34.13 30.49 1t1r s GLU 272 CO 0.00 -1.73 2.51 -0.35 -0.49 0.00 0.00 175.26 175.20 1t1r n PRO 273 N -3.43 3.60 -3.78 0.39 -0.04 -1.26 -4.85 135.00 125.62 1t1r n PRO 273 Ca 0.10 -2.71 -0.25 0.00 -0.04 0.00 0.00 63.50 60.59 1t1r n PRO 273 Cb 0.53 -2.93 -0.17 0.00 -0.04 0.00 0.00 33.50 30.88 1t1r n PRO 273 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1t1r s ASP 274 N 1.99 2.22 0.63 3.54 -1.08 -1.26 -5.02 116.67 117.70 1t1r s ASP 274 Ca 0.56 -0.41 0.37 0.00 -0.52 0.00 0.00 52.55 52.54 1t1r s ASP 274 Cb 0.16 -0.58 1.99 0.00 -1.46 0.00 0.00 42.92 43.03 1t1r s ASP 274 CO -0.07 -0.22 2.12 0.24 0.52 0.00 0.00 175.17 177.76 1t1r h MET 275 N 8.26 0.00 -0.23 4.34 2.86 -1.99 -2.10 114.93 126.08 1t1r h MET 275 Ca -0.20 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1t1r h MET 275 Cb 1.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 1t1r h MET 275 CO 0.31 0.00 0.15 0.00 1.06 0.00 0.00 176.91 178.44 1t1r h ARG 276 N 0.00 0.19 0.60 1.72 3.08 -1.91 -2.04 114.38 116.03 1t1r h ARG 276 Ca 0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1t1r h ARG 276 Cb 0.28 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.29 1t1r h ARG 276 CO 0.00 0.13 -0.29 1.15 -1.07 0.00 0.00 179.97 179.89 1t1r h THR 277 N 0.20 0.35 -0.20 2.04 2.02 -1.71 0.23 112.91 115.84 1t1r h THR 277 Ca 0.09 -0.19 -0.08 0.00 0.77 0.00 0.00 66.41 67.00 1t1r h THR 277 Cb 0.13 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1t1r h THR 277 CO -0.02 0.03 -0.23 1.55 0.37 0.00 0.00 175.52 177.21 1t1r h PRO 278 N -0.94 0.36 0.08 6.66 0.13 -1.72 -0.28 132.00 136.29 1t1r h PRO 278 Ca -0.08 -0.12 -0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1t1r h PRO 278 Cb 0.66 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1t1r h PRO 278 CO 0.14 0.58 -0.04 0.82 -0.23 0.00 0.00 178.00 179.27 1t1r h ILE 279 N 0.33 0.98 -0.35 -3.56 2.04 -1.30 -1.43 117.51 114.22 1t1r h ILE 279 Ca 0.05 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1t1r h ILE 279 Cb 0.60 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1t1r h ILE 279 CO 0.04 0.05 0.05 0.00 0.00 0.00 0.00 178.15 178.30 1t1r h ALA 280 N 0.72 1.44 -0.07 1.87 0.00 -0.33 -0.97 119.26 121.93 1t1r h ALA 280 Ca -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1t1r h ALA 280 Cb 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1t1r h ALA 280 CO 0.02 0.40 0.04 1.25 0.00 0.00 0.00 179.25 180.96 1t1r h HIS 281 N 0.51 0.09 -0.20 0.00 -0.00 -0.64 -1.86 115.15 113.05 1t1r h HIS 281 Ca 0.12 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.46 1t1r h HIS 281 Cb 0.25 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 1t1r h HIS 281 CO 0.01 0.10 0.01 1.79 -0.00 0.00 0.00 177.93 179.84 1t1r h THR 282 N 0.05 1.25 -0.87 6.26 1.35 -0.83 -0.62 112.91 119.50 1t1r h THR 282 Ca 0.02 -0.84 0.08 0.00 -0.55 0.00 0.00 66.41 65.12 1t1r h THR 282 Cb 0.04 1.42 -0.06 0.00 -1.73 0.00 0.00 68.15 67.82 1t1r h THR 282 CO -0.00 0.26 0.56 0.24 -0.25 0.00 0.00 175.52 176.33 1t1r h MET 283 N 0.11 0.87 0.00 4.72 2.86 -1.14 -2.86 114.93 119.49 1t1r h MET 283 Ca 0.06 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1t1r h MET 283 Cb 0.38 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 1t1r h MET 283 CO 0.01 0.58 -1.02 0.00 1.06 0.00 0.00 176.91 177.53 1t1r h ALA 284 N 1.55 0.51 -1.20 6.32 0.00 -1.26 -3.49 119.26 121.69 1t1r h ALA 284 Ca 0.39 -0.05 -0.66 0.00 0.00 0.00 0.00 54.91 54.59 1t1r h ALA 284 Cb 0.33 0.02 0.11 0.00 0.00 0.00 0.00 17.79 18.25 1t1r h ALA 284 CO -0.15 0.05 -0.44 1.87 0.00 0.00 0.00 179.25 180.58 1t1r n TRP 285 N -2.69 -0.26 1.44 0.00 -0.00 -0.25 -0.82 117.44 114.86 1t1r n TRP 285 Ca -0.01 0.91 0.00 0.00 -0.00 0.00 0.00 57.50 58.41 1t1r n TRP 285 Cb 0.57 -2.00 0.01 0.00 -0.00 0.00 0.00 31.31 29.89 1t1r n TRP 285 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 1t1r n PRO 286 N 0.96 1.11 -0.95 5.87 -0.04 -1.26 -5.04 135.00 135.65 1t1r n PRO 286 Ca 0.16 -0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1t1r n PRO 286 Cb 0.27 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1t1r n PRO 286 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1t1r n ASN 287 N -0.20 0.76 -4.21 3.54 3.02 -0.00 -5.16 115.26 113.02 1t1r n ASN 287 Ca 0.01 -0.69 -0.13 0.00 -0.03 0.00 0.00 54.58 53.73 1t1r n ASN 287 Cb 0.15 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.22 1t1r n ASN 287 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1t1r s ARG 288 N -0.69 0.93 0.12 3.52 1.81 -1.26 -4.61 118.95 118.77 1t1r s ARG 288 Ca 0.00 -1.32 -0.08 0.00 -1.72 0.00 0.00 55.73 52.61 1t1r s ARG 288 Cb 0.00 -0.50 -0.01 0.00 -0.45 0.00 0.00 34.95 33.99 1t1r s ARG 288 CO 0.00 0.06 0.21 0.14 -0.68 0.00 0.00 175.30 175.02 1t1r s VAL 289 N -3.06 0.11 0.27 3.52 -7.23 -1.26 -5.01 120.40 107.74 1t1r s VAL 289 Ca 0.11 -1.35 -0.29 0.00 -1.81 0.00 0.00 61.98 58.64 1t1r s VAL 289 Cb 0.01 -1.61 -0.10 0.00 0.56 0.00 0.00 36.38 35.25 1t1r s VAL 289 CO -0.01 -0.51 1.29 0.21 -0.31 0.00 0.00 175.10 175.77 1t1r s ASN 290 N -2.92 6.88 -0.01 4.85 3.84 -1.26 -4.93 114.94 121.40 1t1r s ASN 290 Ca 0.12 2.52 0.08 0.00 0.21 0.00 0.00 52.86 55.79 1t1r s ASN 290 Cb 0.05 -2.63 -0.11 0.00 -0.55 0.00 0.00 41.25 38.01 1t1r s ASN 290 CO -0.05 -0.49 0.28 -1.54 -2.79 0.00 0.00 177.10 172.51 1t1r n SER 291 N 1.68 1.54 0.00 -4.21 3.41 -1.26 -4.79 113.62 109.99 1t1r n SER 291 Ca 0.03 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 1t1r n SER 291 Cb 0.42 1.17 0.00 0.00 -0.26 0.00 0.00 64.21 65.54 1t1r n SER 291 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t1r n GLY 292 N 1.55 0.71 3.73 5.00 0.00 -1.26 -4.78 105.19 110.14 1t1r n GLY 292 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1t1r n GLY 292 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t1r s VAL 293 N -2.77 5.03 0.45 1.61 1.01 -1.26 -5.04 120.40 119.44 1t1r s VAL 293 Ca 0.00 1.34 -0.24 0.00 0.00 0.00 0.00 61.98 63.08 1t1r s VAL 293 Cb 0.00 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 1t1r s VAL 293 CO 0.00 0.30 1.30 -0.54 0.00 0.00 0.00 175.10 176.15 1t1r s LYS 294 N 0.56 3.72 0.03 2.72 -0.14 -1.26 -4.94 119.74 120.43 1t1r s LYS 294 Ca 0.35 2.12 -0.30 0.00 -1.36 0.00 0.00 55.97 56.77 1t1r s LYS 294 Cb -0.17 -2.57 -0.07 0.00 -1.68 0.00 0.00 37.83 33.34 1t1r s LYS 294 CO 0.17 -0.69 1.54 -1.25 -0.76 0.00 0.00 175.35 174.36 1t1r s PRO 295 N -2.50 4.23 0.05 -1.68 0.04 -1.26 -4.80 135.00 129.09 1t1r s PRO 295 Ca 0.62 2.16 -0.36 0.00 0.04 0.00 0.00 61.00 63.45 1t1r s PRO 295 Cb -0.37 -3.61 -0.15 0.00 0.04 0.00 0.00 34.50 30.41 1t1r s PRO 295 CO 0.46 -0.67 1.50 -0.11 0.04 0.00 0.00 177.00 178.22 1t1r n LEU 296 N 5.57 2.29 -4.34 -3.56 7.94 -1.26 -4.93 117.00 118.71 1t1r n LEU 296 Ca 0.15 1.09 -0.44 0.00 -1.11 0.00 0.00 56.01 55.69 1t1r n LEU 296 Cb 0.42 -1.27 -0.07 0.00 0.53 0.00 0.00 43.42 43.04 1t1r n LEU 296 CO 0.61 -0.68 0.05 -0.62 -1.11 0.00 0.00 177.39 175.64 1t1r s ASP 297 N 1.25 6.10 0.53 1.96 3.68 -1.26 -4.93 116.67 123.99 1t1r s ASP 297 Ca 0.85 -1.53 0.35 0.00 2.13 0.00 0.00 52.55 54.35 1t1r s ASP 297 Cb -0.87 -2.17 1.82 0.00 -1.45 0.00 0.00 42.92 40.25 1t1r s ASP 297 CO 0.47 -0.71 2.07 -0.26 0.13 0.00 0.00 175.17 176.87 1t1r h PHE 298 N 8.76 0.00 -0.00 -5.34 -1.00 -2.00 -1.67 116.94 115.68 1t1r h PHE 298 Ca -0.28 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.50 1t1r h PHE 298 Cb 1.10 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.66 1t1r h PHE 298 CO 0.67 0.00 -0.10 0.00 -1.61 0.00 0.00 178.31 177.27 1t1r n LYS 300 N -0.88 2.21 -4.11 0.00 5.02 -0.63 -5.06 118.16 114.71 1t1r n LYS 300 Ca 0.15 -3.53 -0.24 0.00 -2.02 0.00 0.00 58.31 52.68 1t1r n LYS 300 Cb 0.27 -1.73 -0.05 0.00 -0.02 0.00 0.00 35.03 33.50 1t1r n LYS 300 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1t1r s LEU 301 N -3.15 3.80 0.38 -0.35 1.02 -1.25 -5.02 118.68 114.11 1t1r s LEU 301 Ca 0.42 -0.21 -0.13 0.00 0.02 0.00 0.00 54.13 54.23 1t1r s LEU 301 Cb 0.38 -2.36 -0.08 0.00 0.02 0.00 0.00 46.19 44.15 1t1r s LEU 301 CO -0.04 0.00 0.78 -0.44 0.02 0.00 0.00 176.35 176.67 1t1r s SER 302 N -3.55 6.65 0.26 2.29 0.01 -1.26 -4.98 113.70 113.12 1t1r s SER 302 Ca 0.32 1.24 -0.31 0.00 1.31 0.00 0.00 55.95 58.52 1t1r s SER 302 Cb -0.09 -2.36 -0.13 0.00 0.21 0.00 0.00 66.02 63.65 1t1r s SER 302 CO 0.24 -0.33 1.38 0.00 0.41 0.00 0.00 173.24 174.94 1t1r n ALA 303 N -0.89 1.12 -2.68 1.44 0.00 -1.26 -4.92 120.51 113.31 1t1r n ALA 303 Ca 0.03 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.47 1t1r n ALA 303 Cb 0.54 -2.27 -0.05 0.00 0.00 0.00 0.00 19.45 17.67 1t1r n ALA 303 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1t1r s LEU 304 N -0.09 4.21 0.33 0.00 1.43 -1.26 -4.88 118.68 118.42 1t1r s LEU 304 Ca 0.66 1.10 0.06 0.00 -1.03 0.00 0.00 54.13 54.92 1t1r s LEU 304 Cb -0.64 -3.11 -0.07 0.00 0.03 0.00 0.00 46.19 42.41 1t1r s LEU 304 CO 0.52 -0.29 -0.01 0.42 0.23 0.00 0.00 176.35 177.22 1t1r s THR 305 N 1.70 1.67 0.05 5.49 -4.23 -1.26 -5.11 115.64 113.95 1t1r s THR 305 Ca 0.36 -2.07 -0.05 0.00 -1.18 0.00 0.00 61.69 58.75 1t1r s THR 305 Cb -0.17 -2.72 -0.01 0.00 1.34 0.00 0.00 72.50 70.94 1t1r s THR 305 CO 0.14 -0.12 0.10 -0.36 -0.54 0.00 0.00 174.62 173.83 1t1r s PHE 306 N -2.97 0.24 -0.05 3.99 0.08 -1.26 -4.24 117.98 113.76 1t1r s PHE 306 Ca 0.33 -0.60 -0.30 0.00 0.12 0.00 0.00 56.93 56.49 1t1r s PHE 306 Cb 0.07 -0.16 0.08 0.00 -0.57 0.00 0.00 43.02 42.44 1t1r s PHE 306 CO 0.15 -0.40 0.75 0.00 -0.10 0.00 0.00 175.22 175.62 1t1r s ALA 307 N -3.01 -1.79 0.20 5.36 0.00 -0.31 -4.99 121.76 117.22 1t1r s ALA 307 Ca -0.02 1.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.93 1t1r s ALA 307 Cb 0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 23.12 23.00 1t1r s ALA 307 CO -0.06 -0.41 0.96 0.00 0.00 0.00 0.00 175.76 176.25 1t1r s ALA 308 N -1.49 3.32 0.03 0.00 0.00 -1.26 -1.04 121.76 121.32 1t1r s ALA 308 Ca -0.07 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 1t1r s ALA 308 Cb -0.00 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 1t1r s ALA 308 CO 0.05 0.11 1.57 -2.14 0.00 0.00 0.00 175.76 175.35 1t1r s PRO 309 N -0.84 4.22 -0.35 0.00 0.02 -1.26 -4.88 135.00 131.91 1t1r s PRO 309 Ca 0.43 2.19 -0.25 0.00 0.02 0.00 0.00 61.00 63.39 1t1r s PRO 309 Cb -0.26 -3.64 0.01 0.00 0.02 0.00 0.00 34.50 30.64 1t1r s PRO 309 CO 0.32 -0.70 0.88 0.34 -0.33 0.00 0.00 177.00 177.51 1t1r s ASP 310 N 2.34 6.67 0.47 2.53 3.68 -1.26 -4.93 116.67 126.17 1t1r s ASP 310 Ca 0.70 0.59 0.21 0.00 2.13 0.00 0.00 52.55 56.18 1t1r s ASP 310 Cb -0.36 -2.44 1.19 0.00 -1.45 0.00 0.00 42.92 39.85 1t1r s ASP 310 CO 0.30 -0.79 2.00 1.88 0.13 0.00 0.00 175.17 178.70 1t1r h TYR 311 N 8.38 0.00 0.00 -5.34 0.99 -1.94 -0.85 116.97 118.21 1t1r h TYR 311 Ca -0.23 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.48 1t1r h TYR 311 Cb 1.08 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.81 1t1r h TYR 311 CO 0.81 0.18 -0.09 -0.44 -0.00 0.00 0.00 178.16 178.62 1t1r h ASP 312 N 0.00 0.00 0.48 3.88 3.32 -1.98 -1.27 116.42 120.85 1t1r h ASP 312 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1t1r h ASP 312 Cb 0.39 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1t1r h ASP 312 CO 0.02 0.09 -1.66 -1.14 -1.72 0.00 0.00 179.24 174.83 1t1r n ARG 313 N -3.23 0.64 -3.01 3.56 0.63 -0.63 -4.54 116.66 110.08 1t1r n ARG 313 Ca 0.00 0.12 -0.22 0.00 -0.92 0.00 0.00 57.85 56.83 1t1r n ARG 313 Cb 0.35 -1.72 -0.03 0.00 0.45 0.00 0.00 32.46 31.51 1t1r n ARG 313 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1t1r n TYR 314 N -2.76 2.26 -0.17 -0.14 4.02 -0.42 -4.93 117.16 115.02 1t1r n TYR 314 Ca -0.13 -3.83 0.25 0.00 -0.01 0.00 0.00 57.90 54.19 1t1r n TYR 314 Cb 0.85 -0.44 0.67 0.00 -0.02 0.00 0.00 39.34 40.40 1t1r n TYR 314 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1t1r h PRO 315 N 2.97 0.10 -0.36 -0.72 0.13 -1.48 0.44 132.00 133.07 1t1r h PRO 315 Ca 0.12 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 1t1r h PRO 315 Cb 0.75 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 1t1r h PRO 315 CO 0.67 0.07 0.12 0.00 -0.23 0.00 0.00 178.00 178.63 1t1r h LEU 317 N 0.51 0.85 -0.28 0.00 5.85 -1.08 -0.70 115.31 120.46 1t1r h LEU 317 Ca 0.13 -0.34 -0.15 0.00 0.84 0.00 0.00 57.88 58.36 1t1r h LEU 317 Cb 0.15 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 1t1r h LEU 317 CO -0.01 0.99 -0.39 0.50 -0.34 0.00 0.00 178.44 179.18 1t1r h LYS 318 N 0.69 0.77 -0.76 1.25 3.64 -1.45 -2.65 116.57 118.05 1t1r h LYS 318 Ca 0.12 -0.45 0.08 0.00 -1.27 0.00 0.00 60.65 59.14 1t1r h LYS 318 Cb 0.59 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.38 1t1r h LYS 318 CO 0.04 1.07 0.42 1.25 -2.27 0.00 0.00 179.45 179.96 1t1r h LEU 319 N 0.52 0.60 -0.44 5.20 5.85 -0.52 -0.28 115.31 126.24 1t1r h LEU 319 Ca 0.03 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1t1r h LEU 319 Cb 0.99 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 1t1r h LEU 319 CO 0.09 0.36 -0.00 0.00 -0.34 0.00 0.00 178.44 178.55 1t1r h ALA 320 N 1.41 0.60 -0.15 1.25 0.00 -1.04 -1.15 119.26 120.18 1t1r h ALA 320 Ca 0.36 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1t1r h ALA 320 Cb 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1t1r h ALA 320 CO -0.23 0.39 0.08 0.52 0.00 0.00 0.00 179.25 180.02 1t1r h MET 321 N 0.63 0.20 -0.73 0.00 2.86 -1.08 -2.26 114.93 114.55 1t1r h MET 321 Ca 0.12 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1t1r h MET 321 Cb 0.50 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 1t1r h MET 321 CO 0.02 0.20 0.45 0.93 1.06 0.00 0.00 176.91 179.57 1t1r h GLU 322 N 0.15 0.98 -0.32 1.72 5.08 -0.95 -2.59 114.58 118.65 1t1r h GLU 322 Ca 0.05 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1t1r h GLU 322 Cb 0.05 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1t1r h GLU 322 CO -0.01 0.68 -0.23 0.00 -1.00 0.00 0.00 179.01 178.45 1t1r h ALA 323 N 1.49 1.00 -0.47 3.43 0.00 -0.95 -3.00 119.26 120.76 1t1r h ALA 323 Ca 0.26 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1t1r h ALA 323 Cb -0.06 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1t1r h ALA 323 CO -0.05 0.59 0.21 0.35 0.00 0.00 0.00 179.25 180.35 1t1r h PHE 324 N 0.55 0.38 0.00 0.00 3.57 -1.00 0.18 116.94 120.62 1t1r h PHE 324 Ca 0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1t1r h PHE 324 Cb 0.69 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1t1r h PHE 324 CO 0.03 0.17 0.00 -1.91 -2.23 0.00 0.00 178.31 174.37 1t1r n GLU 325 N -4.94 0.16 0.02 1.11 4.07 -1.14 -2.35 120.64 117.57 1t1r n GLU 325 Ca 0.04 0.48 -0.06 0.00 -0.06 0.00 0.00 57.16 57.56 1t1r n GLU 325 Cb 0.15 -1.86 -0.11 0.00 -0.06 0.00 0.00 31.44 29.56 1t1r n GLU 325 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1t1r h GLN 326 N 0.00 0.00 0.00 5.31 5.75 -0.88 -3.51 115.11 121.78 1t1r h GLN 326 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1t1r h GLN 326 Cb 0.23 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.78 1t1r h GLN 326 CO 0.00 0.56 0.00 0.41 -2.65 0.00 0.00 178.83 177.15 1t1r n GLY 327 N 1.45 3.08 0.24 2.39 0.00 -0.97 -4.78 105.19 106.60 1t1r n GLY 327 Ca -0.10 -1.85 0.03 0.00 0.00 0.00 0.00 46.02 44.10 1t1r n GLY 327 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1t1r h GLN 328 N 0.00 0.19 -0.35 1.61 4.20 -1.87 -2.01 115.11 116.88 1t1r h GLN 328 Ca 0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1t1r h GLN 328 Cb 0.00 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1t1r h GLN 328 CO 0.00 0.31 0.19 0.00 -0.67 0.00 0.00 178.83 178.66 1t1r h ALA 329 N 1.71 0.46 -0.29 3.87 0.00 -1.89 -1.15 119.26 121.97 1t1r h ALA 329 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1t1r h ALA 329 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1t1r h ALA 329 CO 0.02 -0.01 0.15 0.00 0.00 0.00 0.00 179.25 179.41 1t1r h ALA 330 N 1.05 0.37 -0.31 0.00 0.00 -1.71 -1.18 119.26 117.47 1t1r h ALA 330 Ca 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1t1r h ALA 330 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1t1r h ALA 330 CO -0.02 -0.10 0.07 1.79 0.00 0.00 0.00 179.25 180.99 1t1r h THR 331 N 0.34 1.22 -0.24 0.00 1.35 -1.19 0.74 112.91 115.14 1t1r h THR 331 Ca 0.10 -0.74 -0.06 0.00 -0.55 0.00 0.00 66.41 65.15 1t1r h THR 331 Cb 0.07 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 1t1r h THR 331 CO -0.02 0.25 -0.13 0.71 -0.25 0.00 0.00 175.52 176.08 1t1r h THR 332 N 0.34 1.21 -0.47 6.82 1.35 -1.18 -0.19 112.91 120.78 1t1r h THR 332 Ca 0.10 -0.94 -0.11 0.00 -0.55 0.00 0.00 66.41 64.91 1t1r h THR 332 Cb 0.30 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 1t1r h THR 332 CO 0.00 0.30 -0.15 0.00 -0.25 0.00 0.00 175.52 175.42 1t1r h ALA 333 N 1.51 0.65 -0.31 6.62 0.00 -0.92 -0.04 119.26 126.78 1t1r h ALA 333 Ca 0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1t1r h ALA 333 Cb 0.45 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1t1r h ALA 333 CO 0.03 0.59 0.14 1.25 0.00 0.00 0.00 179.25 181.25 1t1r h LEU 334 N 0.78 0.41 -0.27 0.00 6.46 -0.18 -0.14 115.31 122.37 1t1r h LEU 334 Ca 0.11 -0.14 0.02 0.00 -0.12 0.00 0.00 57.88 57.75 1t1r h LEU 334 Cb 0.71 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.51 1t1r h LEU 334 CO 0.05 0.44 0.11 -1.13 -0.62 0.00 0.00 178.44 177.29 1t1r h ASN 335 N 0.35 0.14 0.13 1.25 -1.24 -0.88 -0.60 115.58 114.74 1t1r h ASN 335 Ca 0.10 0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.14 1t1r h ASN 335 Cb 0.15 -0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 1t1r h ASN 335 CO -0.01 0.12 -0.15 0.00 -1.29 0.00 0.00 177.43 176.10 1t1r h ALA 336 N 1.15 -0.28 -0.39 1.57 0.00 -0.69 -2.12 119.26 118.50 1t1r h ALA 336 Ca 0.11 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1t1r h ALA 336 Cb 0.06 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1t1r h ALA 336 CO -0.10 -0.68 0.14 0.00 0.00 0.00 0.00 179.25 178.61 1t1r h ALA 337 N 0.51 0.45 -0.26 0.00 0.00 -0.84 -1.26 119.26 117.87 1t1r h ALA 337 Ca 0.01 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1t1r h ALA 337 Cb 0.31 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1t1r h ALA 337 CO -0.05 -0.25 0.18 -0.97 0.00 0.00 0.00 179.25 178.16 1t1r h ASN 338 N 0.30 0.15 -0.46 0.00 -1.24 -0.92 0.79 115.58 114.19 1t1r h ASN 338 Ca 0.18 -0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.14 1t1r h ASN 338 Cb 0.16 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 1t1r h ASN 338 CO -0.18 0.10 0.11 -0.08 -1.29 0.00 0.00 177.43 176.10 1t1r h GLU 339 N 0.18 0.73 0.04 6.67 4.57 -0.55 -1.46 114.58 124.76 1t1r h GLU 339 Ca 0.11 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1t1r h GLU 339 Cb 0.23 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1t1r h GLU 339 CO -0.02 0.72 -0.02 0.82 -1.18 0.00 0.00 179.01 179.33 1t1r h ILE 340 N 0.61 1.32 -0.51 2.32 1.08 -0.66 -2.93 117.51 118.73 1t1r h ILE 340 Ca 0.14 -1.29 -0.03 0.00 -0.39 0.00 0.00 64.86 63.30 1t1r h ILE 340 Cb 0.32 2.16 -0.03 0.00 -3.07 0.00 0.00 36.82 36.21 1t1r h ILE 340 CO 0.00 0.32 0.20 0.71 -0.69 0.00 0.00 178.15 178.70 1t1r h THR 341 N -0.63 1.19 -0.14 -0.27 1.35 -0.96 -0.35 112.91 113.10 1t1r h THR 341 Ca -0.01 -0.59 -0.05 0.00 -0.55 0.00 0.00 66.41 65.21 1t1r h THR 341 Cb 0.57 0.58 -0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1t1r h THR 341 CO 0.01 0.23 -0.12 0.58 -0.25 0.00 0.00 175.52 175.97 1t1r h VAL 342 N 0.73 1.34 -0.85 6.82 2.07 -1.36 -0.14 116.25 124.87 1t1r h VAL 342 Ca 0.18 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.46 1t1r h VAL 342 Cb 0.15 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 1t1r h VAL 342 CO -0.02 0.37 0.56 0.00 0.02 0.00 0.00 177.57 178.50 1t1r h ALA 343 N 0.61 1.45 -0.63 1.67 0.00 -1.30 0.12 119.26 121.18 1t1r h ALA 343 Ca 0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1t1r h ALA 343 Cb 0.64 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1t1r h ALA 343 CO 0.03 0.48 0.18 0.00 0.00 0.00 0.00 179.25 179.95 1t1r h ALA 344 N 1.49 0.83 -0.50 0.00 0.00 -0.89 0.32 119.26 120.52 1t1r h ALA 344 Ca 0.33 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1t1r h ALA 344 Cb -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1t1r h ALA 344 CO -0.09 0.51 -0.02 0.35 0.00 0.00 0.00 179.25 180.00 1t1r h PHE 345 N 0.91 0.98 -0.12 0.00 3.04 0.15 0.25 116.94 122.16 1t1r h PHE 345 Ca 0.20 -0.18 -0.07 0.00 3.98 0.00 0.00 57.97 61.90 1t1r h PHE 345 Cb 0.31 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.56 1t1r h PHE 345 CO 0.02 0.92 -0.26 -0.07 -2.02 0.00 0.00 178.31 176.91 1t1r h LEU 346 N 0.76 0.20 -0.06 0.59 3.38 -0.54 -0.92 115.31 118.72 1t1r h LEU 346 Ca 0.14 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1t1r h LEU 346 Cb 0.55 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1t1r h LEU 346 CO 0.03 0.47 -0.00 0.00 0.09 0.00 0.00 178.44 179.03 1t1r n ALA 347 N -2.48 2.67 -2.48 1.53 0.00 0.08 -4.88 120.51 114.95 1t1r n ALA 347 Ca -0.01 -0.21 -0.14 0.00 0.00 0.00 0.00 53.44 53.08 1t1r n ALA 347 Cb 0.36 -1.50 0.01 0.00 0.00 0.00 0.00 19.45 18.32 1t1r n ALA 347 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1t1r n GLN 348 N -0.95 -2.02 0.02 0.00 6.02 -0.35 -4.92 117.38 115.17 1t1r n GLN 348 Ca 0.23 0.61 0.01 0.00 -0.01 0.00 0.00 57.00 57.84 1t1r n GLN 348 Cb 0.13 -4.81 -0.10 0.00 1.02 0.00 0.00 30.24 26.48 1t1r n GLN 348 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1t1r n GLN 349 N -2.53 0.63 -4.12 -1.09 6.02 0.82 -4.97 117.38 112.14 1t1r n GLN 349 Ca -0.12 0.14 -0.09 0.00 -0.01 0.00 0.00 57.00 56.92 1t1r n GLN 349 Cb 0.60 -1.74 -0.10 0.00 1.02 0.00 0.00 30.24 30.02 1t1r n GLN 349 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1t1r s ILE 350 N -2.97 0.19 0.49 5.09 -4.36 -1.22 -4.59 121.20 113.83 1t1r s ILE 350 Ca -0.04 -1.87 -0.18 0.00 -0.26 0.00 0.00 60.65 58.30 1t1r s ILE 350 Cb 0.09 -1.79 -0.09 0.00 1.25 0.00 0.00 42.46 41.92 1t1r s ILE 350 CO 0.82 -0.73 0.98 -0.13 0.24 0.00 0.00 174.94 176.13 1t1r s ARG 351 N -3.98 4.02 0.31 0.37 0.52 -1.26 -4.45 118.95 114.47 1t1r s ARG 351 Ca 0.16 1.03 0.07 0.00 -0.52 0.00 0.00 55.73 56.47 1t1r s ARG 351 Cb 0.08 -2.15 0.82 0.00 0.52 0.00 0.00 34.95 34.22 1t1r s ARG 351 CO -0.04 -0.21 1.69 0.35 0.02 0.00 0.00 175.30 177.11 1t1r h PHE 352 N 1.26 0.74 0.00 -0.53 3.04 -1.76 0.40 116.94 120.08 1t1r h PHE 352 Ca -0.48 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.51 1t1r h PHE 352 Cb 1.19 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 39.51 1t1r h PHE 352 CO 0.63 -0.06 -0.04 1.79 -2.02 0.00 0.00 178.31 178.61 1t1r h THR 353 N 0.40 0.08 0.00 4.41 1.35 -1.83 -3.03 112.91 114.30 1t1r h THR 353 Ca 0.61 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1t1r h THR 353 Cb 1.21 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 1t1r h THR 353 CO -0.55 0.03 0.00 0.44 -0.25 0.00 0.00 175.52 175.20 1t1r h ASP 354 N 0.00 0.00 0.64 5.36 3.45 -0.56 -3.20 116.42 122.11 1t1r h ASP 354 Ca -0.00 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.43 1t1r h ASP 354 Cb 0.65 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.41 1t1r h ASP 354 CO 0.00 0.00 -0.40 0.40 -1.57 0.00 0.00 179.24 177.68 1t1r h ILE 355 N 0.00 0.19 -0.22 0.35 2.04 -1.55 -0.02 117.51 118.30 1t1r h ILE 355 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1t1r h ILE 355 Cb 0.42 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1t1r h ILE 355 CO 0.00 0.00 0.13 0.00 0.00 0.00 0.00 178.15 178.28 1t1r h ALA 356 N -0.71 0.28 0.25 1.87 0.00 -1.78 -0.45 119.26 118.71 1t1r h ALA 356 Ca -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1t1r h ALA 356 Cb 0.80 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1t1r h ALA 356 CO 0.07 -0.22 -0.12 0.00 0.00 0.00 0.00 179.25 178.98 1t1r h ALA 357 N 1.04 -0.33 -0.87 0.00 0.00 -1.59 0.70 119.26 118.22 1t1r h ALA 357 Ca 0.08 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1t1r h ALA 357 Cb 0.01 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1t1r h ALA 357 CO -0.02 -0.67 0.56 -0.07 0.00 0.00 0.00 179.25 179.05 1t1r h LEU 358 N -0.36 0.93 -0.36 0.00 4.07 -0.99 0.25 115.31 118.85 1t1r h LEU 358 Ca -0.03 -0.01 0.02 0.00 0.08 0.00 0.00 57.88 57.94 1t1r h LEU 358 Cb 0.27 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 1t1r h LEU 358 CO 0.06 0.65 0.18 0.78 -1.08 0.00 0.00 178.44 179.02 1t1r h ASN 359 N 1.09 0.27 -0.44 -0.43 2.35 -0.70 -0.28 115.58 117.44 1t1r h ASN 359 Ca 0.34 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.10 1t1r h ASN 359 Cb -0.01 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1t1r h ASN 359 CO -0.11 0.20 0.25 0.25 -1.65 0.00 0.00 177.43 176.37 1t1r h LEU 360 N 0.37 0.54 -0.59 1.61 5.85 -0.07 -2.84 115.31 120.18 1t1r h LEU 360 Ca 0.15 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.88 1t1r h LEU 360 Cb 0.05 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 1t1r h LEU 360 CO -0.10 0.46 0.23 -1.28 -0.34 0.00 0.00 178.44 177.41 1t1r h SER 361 N 0.58 0.24 -0.82 1.25 0.87 0.19 -1.88 113.55 113.99 1t1r h SER 361 Ca 0.16 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1t1r h SER 361 Cb 0.03 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 1t1r h SER 361 CO -0.03 0.15 0.46 0.58 -0.53 0.00 0.00 176.83 177.47 1t1r h VAL 362 N 0.42 1.24 -0.32 2.23 2.07 -0.86 -2.38 116.25 118.65 1t1r h VAL 362 Ca 0.30 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1t1r h VAL 362 Cb 0.34 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1t1r h VAL 362 CO -0.29 0.26 -0.08 -0.07 0.02 0.00 0.00 177.57 177.41 1t1r h LEU 363 N 1.13 0.50 -0.89 2.57 3.38 -1.15 -1.35 115.31 119.51 1t1r h LEU 363 Ca 0.29 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1t1r h LEU 363 Cb 0.01 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1t1r h LEU 363 CO -0.05 0.63 0.19 -0.33 0.09 0.00 0.00 178.44 178.97 1t1r h GLU 364 N 0.49 1.01 0.00 1.13 5.08 -0.87 -3.06 114.58 118.36 1t1r h GLU 364 Ca 0.10 -0.21 -0.20 0.00 -1.00 0.00 0.00 59.36 58.05 1t1r h GLU 364 Cb 0.44 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1t1r h GLU 364 CO 0.02 0.87 -0.94 0.87 -1.00 0.00 0.00 179.01 178.84 1t1r h LYS 365 N 0.97 0.00 0.00 2.33 1.57 -1.14 -3.40 116.57 116.90 1t1r h LYS 365 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1t1r h LYS 365 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1t1r h LYS 365 CO -0.01 0.94 0.00 -1.33 -0.57 0.00 0.00 179.45 178.48 1t1r n MET 366 N -3.38 0.00 -3.48 3.15 2.81 -0.54 -4.91 117.12 110.78 1t1r n MET 366 Ca 0.00 0.45 -0.20 0.00 -1.81 0.00 0.00 57.70 56.14 1t1r n MET 366 Cb 0.90 -1.14 0.06 0.00 -0.71 0.00 0.00 33.22 32.33 1t1r n MET 366 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1t1r n ASP 367 N -1.32 -4.30 -4.68 7.83 8.00 -1.26 -5.01 116.55 115.81 1t1r n ASP 367 Ca 0.00 -0.78 -0.24 0.00 0.71 0.00 0.00 54.79 54.48 1t1r n ASP 367 Cb 0.00 -4.55 -0.07 0.00 -0.02 0.00 0.00 41.12 36.48 1t1r n ASP 367 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1t1r s MET 368 N -5.26 2.24 0.25 -1.24 -1.94 -1.26 -5.13 119.30 106.96 1t1r s MET 368 Ca 0.28 -1.61 -0.17 0.00 -1.71 0.00 0.00 55.69 52.47 1t1r s MET 368 Cb -0.06 -2.07 -0.08 0.00 2.01 0.00 0.00 34.83 34.62 1t1r s MET 368 CO 0.78 0.15 0.71 -0.98 -0.01 0.00 0.00 175.02 175.67 1t1r s ARG 369 N -3.77 4.13 0.12 2.03 1.70 -1.26 -4.89 118.95 117.01 1t1r s ARG 369 Ca 0.36 0.75 -0.31 0.00 -0.47 0.00 0.00 55.73 56.05 1t1r s ARG 369 Cb -0.02 -2.72 -0.10 0.00 -0.57 0.00 0.00 34.95 31.54 1t1r s ARG 369 CO 0.21 0.32 1.77 -1.21 -1.08 0.00 0.00 175.30 175.31 1t1r s GLU 370 N -2.35 4.15 0.64 3.89 2.02 -1.26 -4.74 118.70 121.06 1t1r s GLU 370 Ca 0.47 2.53 -0.18 0.00 0.02 0.00 0.00 54.97 57.81 1t1r s GLU 370 Cb -0.14 -3.53 -0.03 0.00 0.10 0.00 0.00 34.13 30.53 1t1r s GLU 370 CO 0.20 -0.80 1.05 -2.30 0.02 0.00 0.00 175.26 173.43 1t1r n PRO 371 N 5.44 0.87 0.00 0.39 -0.02 -1.26 -4.95 135.00 135.47 1t1r n PRO 371 Ca 0.17 0.35 0.03 0.00 -2.02 0.00 0.00 63.50 62.03 1t1r n PRO 371 Cb 0.38 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 1t1r n PRO 371 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1t1r n GLN 372 N -1.43 4.43 -3.92 -0.52 1.13 -1.26 -5.00 117.38 110.81 1t1r n GLN 372 Ca 0.14 -0.09 -0.09 0.00 -1.94 0.00 0.00 57.00 55.03 1t1r n GLN 372 Cb 0.48 -0.83 -0.03 0.00 0.11 0.00 0.00 30.24 29.97 1t1r n GLN 372 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1t1r h VAL 374 N 2.11 0.97 -0.71 0.00 2.07 -1.99 -1.78 116.25 116.93 1t1r h VAL 374 Ca -0.24 -0.16 0.14 0.00 0.82 0.00 0.00 66.70 67.26 1t1r h VAL 374 Cb 1.25 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 1t1r h VAL 374 CO 0.31 0.09 0.48 0.44 0.02 0.00 0.00 177.57 178.90 1t1r h ASP 375 N 0.47 0.36 0.04 0.57 5.19 -1.99 0.12 116.42 121.17 1t1r h ASP 375 Ca 0.20 0.02 -0.19 0.00 -0.62 0.00 0.00 57.03 56.44 1t1r h ASP 375 Cb 0.10 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 1t1r h ASP 375 CO -0.13 0.19 -0.68 0.44 -3.12 0.00 0.00 179.24 175.94 1t1r h ASP 376 N 0.39 0.69 -0.18 6.45 3.45 -1.75 -2.70 116.42 122.76 1t1r h ASP 376 Ca 0.34 -0.42 -0.01 0.00 0.43 0.00 0.00 57.03 57.38 1t1r h ASP 376 Cb 0.80 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.36 1t1r h ASP 376 CO -0.10 1.17 0.09 0.58 -1.57 0.00 0.00 179.24 179.41 1t1r h VAL 377 N 0.43 1.13 -0.80 -1.35 2.07 -0.26 -1.79 116.25 115.67 1t1r h VAL 377 Ca -0.02 -0.36 0.09 0.00 0.82 0.00 0.00 66.70 67.22 1t1r h VAL 377 Cb 1.26 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 1t1r h VAL 377 CO 0.13 0.12 0.53 -0.07 0.02 0.00 0.00 177.57 178.29 1t1r h LEU 378 N 0.16 0.71 -0.02 2.57 3.38 -1.03 -0.15 115.31 120.94 1t1r h LEU 378 Ca 0.06 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1t1r h LEU 378 Cb 0.11 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1t1r h LEU 378 CO -0.01 0.43 0.01 -1.28 0.09 0.00 0.00 178.44 177.68 1t1r h SER 379 N 0.79 0.03 -0.36 -0.43 0.87 -1.07 -1.32 113.55 112.05 1t1r h SER 379 Ca 0.36 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1t1r h SER 379 Cb 0.37 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 1t1r h SER 379 CO -0.14 0.13 0.20 0.58 -0.53 0.00 0.00 176.83 177.07 1t1r h VAL 380 N -0.08 1.14 -0.20 2.23 2.07 -0.52 -2.16 116.25 118.73 1t1r h VAL 380 Ca 0.01 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.22 1t1r h VAL 380 Cb 0.11 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 1t1r h VAL 380 CO -0.00 0.14 -0.15 -0.78 0.02 0.00 0.00 177.57 176.80 1t1r h ASP 381 N 0.45 -0.48 -0.75 0.57 3.58 -0.92 -1.06 116.42 117.81 1t1r h ASP 381 Ca 0.13 0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.70 1t1r h ASP 381 Cb 0.05 0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.30 1t1r h ASP 381 CO -0.02 -0.19 0.49 0.00 -2.88 0.00 0.00 179.24 176.64 1t1r h ALA 382 N 0.98 0.97 -0.24 -0.78 0.00 -1.10 -1.92 119.26 117.17 1t1r h ALA 382 Ca 0.12 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1t1r h ALA 382 Cb 0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1t1r h ALA 382 CO -0.29 0.32 -0.30 -0.91 0.00 0.00 0.00 179.25 178.07 1t1r h ASN 383 N 0.98 0.50 -0.22 0.00 4.21 -0.94 -2.68 115.58 117.43 1t1r h ASN 383 Ca 0.29 -0.19 -0.12 0.00 1.21 0.00 0.00 56.30 57.50 1t1r h ASN 383 Cb -0.05 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.00 1t1r h ASN 383 CO -0.09 0.78 -0.26 0.00 -1.29 0.00 0.00 177.43 176.57 1t1r h ALA 384 N 1.26 0.89 -0.55 -0.83 0.00 -0.83 -2.48 119.26 116.72 1t1r h ALA 384 Ca 0.05 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1t1r h ALA 384 Cb 0.74 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1t1r h ALA 384 CO 0.06 0.62 -0.06 0.00 0.00 0.00 0.00 179.25 179.87 1t1r h ARG 385 N 0.61 0.99 -0.37 0.00 3.08 -1.18 0.18 114.38 117.69 1t1r h ARG 385 Ca 0.08 -0.34 -0.13 0.00 0.07 0.00 0.00 59.98 59.66 1t1r h ARG 385 Cb 0.76 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1t1r h ARG 385 CO 0.06 1.01 -0.29 0.93 -1.07 0.00 0.00 179.97 180.61 1t1r h GLU 386 N 0.90 0.86 -0.73 0.04 4.39 -1.41 0.23 114.58 118.85 1t1r h GLU 386 Ca 0.15 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.38 1t1r h GLU 386 Cb 0.61 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 1t1r h GLU 386 CO 0.04 1.07 0.29 0.28 -1.16 0.00 0.00 179.01 179.52 1t1r h VAL 387 N 0.66 1.25 -0.62 3.13 2.07 -1.33 0.00 116.25 121.41 1t1r h VAL 387 Ca 0.07 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1t1r h VAL 387 Cb 0.87 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1t1r h VAL 387 CO 0.08 0.32 0.31 0.00 0.02 0.00 0.00 177.57 178.30 1t1r h ALA 388 N 1.14 0.80 -0.19 1.67 0.00 -0.74 -2.10 119.26 119.84 1t1r h ALA 388 Ca 0.24 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1t1r h ALA 388 Cb 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1t1r h ALA 388 CO -0.02 0.35 -0.25 0.00 0.00 0.00 0.00 179.25 179.33 1t1r h ARG 389 N 0.86 0.36 -0.37 0.00 3.08 -0.49 -1.51 114.38 116.31 1t1r h ARG 389 Ca 0.22 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 1t1r h ARG 389 Cb 0.10 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1t1r h ARG 389 CO -0.03 0.60 -0.25 0.87 -1.07 0.00 0.00 179.97 180.08 1t1r h LYS 390 N 0.32 0.83 -0.49 0.04 1.57 -0.66 -1.49 116.57 116.69 1t1r h LYS 390 Ca 0.05 -0.39 -0.11 0.00 -1.87 0.00 0.00 60.65 58.32 1t1r h LYS 390 Cb 0.63 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1t1r h LYS 390 CO 0.04 1.03 -0.14 0.93 -0.57 0.00 0.00 179.45 180.75 1t1r h GLU 391 N 0.62 0.97 -0.29 3.15 5.08 -1.18 1.00 114.58 123.93 1t1r h GLU 391 Ca 0.07 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1t1r h GLU 391 Cb 0.82 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1t1r h GLU 391 CO 0.07 1.05 0.18 0.28 -1.00 0.00 0.00 179.01 179.59 1t1r h VAL 392 N 0.82 1.09 -0.34 3.13 2.07 -1.23 0.58 116.25 122.37 1t1r h VAL 392 Ca 0.12 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 1t1r h VAL 392 Cb 0.70 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1t1r h VAL 392 CO 0.05 0.09 -0.19 0.24 0.02 0.00 0.00 177.57 177.78 1t1r h MET 393 N 0.38 0.63 -0.13 1.57 2.86 -0.95 0.45 114.93 119.75 1t1r h MET 393 Ca 0.11 -0.23 -0.12 0.00 -2.06 0.00 0.00 59.70 57.40 1t1r h MET 393 Cb -0.02 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1t1r h MET 393 CO -0.02 0.78 -0.43 -0.09 1.06 0.00 0.00 176.91 178.21 1t1r h ARG 394 N 0.56 0.30 0.14 1.72 2.43 0.17 -0.26 114.38 119.44 1t1r h ARG 394 Ca 0.09 -0.15 -0.32 0.00 -0.81 0.00 0.00 59.98 58.79 1t1r h ARG 394 Cb 0.64 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1t1r h ARG 394 CO 0.05 0.68 -1.58 1.25 -1.51 0.00 0.00 179.97 178.86 1t1r h LEU 395 N 0.25 0.46 -0.47 3.80 7.12 0.45 -3.35 115.31 123.58 1t1r h LEU 395 Ca 0.02 -0.64 -0.15 0.00 0.13 0.00 0.00 57.88 57.24 1t1r h LEU 395 Cb 0.86 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.83 1t1r h LEU 395 CO 0.07 1.54 -0.32 0.00 -0.13 0.00 0.00 178.44 179.60 1t1r h ALA 396 N 0.39 0.65 0.00 1.25 0.00 0.01 -3.51 119.26 118.05 1t1r h ALA 396 Ca -0.27 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1t1r h ALA 396 Cb 2.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1t1r h ALA 396 CO 0.17 0.67 0.00 -1.13 0.00 0.00 0.00 179.25 178.97