#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sg3 s LYS 2 N 0.00 2.61 0.16 2.12 3.01 -0.28 -4.83 119.74 122.53 1sg3 s LYS 2 Ca 0.00 -0.76 0.06 0.00 -1.01 0.00 0.00 55.97 54.27 1sg3 s LYS 2 Cb 0.00 -2.57 -0.04 0.00 -1.01 0.00 0.00 37.83 34.21 1sg3 s LYS 2 CO 0.00 0.58 0.02 -0.06 0.51 0.00 0.00 175.35 176.40 1sg3 s PHE 3 N -1.19 2.92 -0.03 3.18 0.40 -1.26 -1.36 117.98 120.65 1sg3 s PHE 3 Ca 0.22 -0.10 0.04 0.00 -0.60 0.00 0.00 56.93 56.50 1sg3 s PHE 3 Cb -0.12 -1.43 -0.01 0.00 0.51 0.00 0.00 43.02 41.98 1sg3 s PHE 3 CO 0.14 0.51 -0.16 -0.06 0.70 0.00 0.00 175.22 176.35 1sg3 s PHE 4 N -1.67 1.52 0.66 0.36 0.40 -0.09 -5.00 117.98 114.16 1sg3 s PHE 4 Ca 0.28 -0.38 -0.08 0.00 -0.60 0.00 0.00 56.93 56.15 1sg3 s PHE 4 Cb -0.10 -1.01 0.03 0.00 0.51 0.00 0.00 43.02 42.45 1sg3 s PHE 4 CO 0.19 -0.11 0.99 -1.54 0.70 0.00 0.00 175.22 175.46 1sg3 s SER 5 N -0.09 5.28 0.25 1.36 1.04 -1.26 -4.04 113.70 116.24 1sg3 s SER 5 Ca 0.00 0.73 -0.03 0.00 0.48 0.00 0.00 55.95 57.14 1sg3 s SER 5 Cb -0.09 -1.56 0.49 0.00 0.10 0.00 0.00 66.02 64.96 1sg3 s SER 5 CO 0.01 -1.32 1.74 -0.07 0.98 0.00 0.00 173.24 174.58 1sg3 h LEU 6 N -0.45 0.37 -0.01 2.42 3.38 -2.00 0.56 115.31 119.57 1sg3 h LEU 6 Ca -0.45 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1sg3 h LEU 6 Cb 1.28 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1sg3 h LEU 6 CO 0.62 0.14 0.00 0.00 0.09 0.00 0.00 178.44 179.29 1sg3 n ALA 7 N -2.48 1.87 -0.61 1.53 0.00 -1.26 -1.12 120.51 118.44 1sg3 n ALA 7 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1sg3 n ALA 7 Cb 0.43 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1sg3 n ALA 7 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sg3 n ASP 8 N -0.49 0.86 -0.02 0.00 9.92 0.19 -4.75 116.55 122.26 1sg3 n ASP 8 Ca 0.00 -1.47 0.04 0.00 -0.53 0.00 0.00 54.79 52.83 1sg3 n ASP 8 Cb 0.00 -0.01 0.41 0.00 -0.64 0.00 0.00 41.12 40.88 1sg3 n ASP 8 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1sg3 h GLU 9 N 0.00 0.58 -0.56 -1.24 4.81 -0.94 -0.71 114.58 116.52 1sg3 h GLU 9 Ca 0.00 -0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.30 1sg3 h GLU 9 Cb 0.80 -0.13 -0.09 0.00 0.63 0.00 0.00 28.75 29.97 1sg3 h GLU 9 CO 0.00 0.38 0.07 0.00 -0.73 0.00 0.00 179.01 178.74 1sg3 h ALA 10 N 1.72 0.62 -0.08 2.92 0.00 -1.86 -0.87 119.26 121.71 1sg3 h ALA 10 Ca 0.16 0.14 -0.20 0.00 0.00 0.00 0.00 54.91 55.01 1sg3 h ALA 10 Cb -0.07 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1sg3 h ALA 10 CO -0.03 -0.34 -0.77 1.49 0.00 0.00 0.00 179.25 179.59 1sg3 h GLU 11 N 0.20 0.49 -0.07 0.00 4.81 -1.64 -3.11 114.58 115.26 1sg3 h GLU 11 Ca 0.29 -0.42 0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1sg3 h GLU 11 Cb 0.44 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.85 1sg3 h GLU 11 CO -0.41 1.05 -0.38 0.35 -0.73 0.00 0.00 179.01 178.89 1sg3 h PHE 12 N 0.33 -1.06 -0.24 0.92 3.57 0.16 -1.65 116.94 118.97 1sg3 h PHE 12 Ca -0.04 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1sg3 h PHE 12 Cb 1.37 0.47 -0.05 0.00 2.79 0.00 0.00 35.95 40.53 1sg3 h PHE 12 CO 0.06 -0.45 -0.07 0.87 -2.23 0.00 0.00 178.31 176.48 1sg3 h LYS 13 N -0.49 -0.02 -0.90 1.11 1.57 -1.37 -1.56 116.57 114.91 1sg3 h LYS 13 Ca 0.07 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.02 1sg3 h LYS 13 Cb 0.60 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.75 1sg3 h LYS 13 CO -0.34 -0.01 -0.25 1.03 -0.57 0.00 0.00 179.45 179.30 1sg3 h SER 14 N -0.02 -0.93 0.36 0.86 0.87 -1.28 1.63 113.55 115.04 1sg3 h SER 14 Ca 0.12 0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.94 1sg3 h SER 14 Cb 0.20 0.59 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1sg3 h SER 14 CO -0.26 -0.30 -0.17 0.40 -0.53 0.00 0.00 176.83 175.97 1sg3 h ILE 15 N -0.01 0.65 0.16 2.23 1.08 -0.43 -0.17 117.51 121.02 1sg3 h ILE 15 Ca 0.41 -0.12 -0.24 0.00 -0.39 0.00 0.00 64.86 64.52 1sg3 h ILE 15 Cb 0.65 0.72 0.03 0.00 -3.07 0.00 0.00 36.82 35.14 1sg3 h ILE 15 CO -0.92 0.03 -1.04 0.16 -0.69 0.00 0.00 178.15 175.68 1sg3 h ILE 16 N -0.56 1.41 0.00 -0.67 -0.00 -0.23 -1.88 117.51 115.58 1sg3 h ILE 16 Ca -0.05 -2.54 0.00 0.00 -0.00 0.00 0.00 64.86 62.27 1sg3 h ILE 16 Cb 0.42 3.05 0.00 0.00 -0.00 0.00 0.00 36.82 40.29 1sg3 h ILE 16 CO 0.08 0.74 0.00 -0.38 -0.00 0.00 0.00 178.15 178.59 1sg3 n ILE 17 N -3.98 0.00 0.24 0.16 5.41 0.54 -0.60 119.36 121.13 1sg3 n ILE 17 Ca -0.14 0.39 -0.16 0.00 1.00 0.00 0.00 62.75 63.84 1sg3 n ILE 17 Cb 0.91 -1.18 -0.08 0.00 -0.71 0.00 0.00 39.64 38.58 1sg3 n ILE 17 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1sg3 h SER 18 N 0.00 -0.46 0.00 4.38 4.64 -1.58 -1.08 113.55 119.45 1sg3 h SER 18 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1sg3 h SER 18 Cb 0.00 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1sg3 h SER 18 CO 0.00 -0.32 0.00 0.29 -0.87 0.00 0.00 176.83 175.93 1sg3 n LYS 19 N -5.32 0.00 0.00 4.77 4.01 -0.08 -4.07 118.16 117.46 1sg3 n LYS 19 Ca -0.11 0.49 0.13 0.00 -0.51 0.00 0.00 58.31 58.30 1sg3 n LYS 19 Cb 0.23 -1.39 0.58 0.00 -0.51 0.00 0.00 35.03 33.95 1sg3 n LYS 19 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1sg3 n ASN 20 N -1.96 0.00 -3.61 4.39 3.02 -0.71 -4.94 115.26 111.45 1sg3 n ASN 20 Ca 0.00 0.36 -0.21 0.00 -0.03 0.00 0.00 54.58 54.70 1sg3 n ASN 20 Cb 0.00 -0.45 0.06 0.00 -0.61 0.00 0.00 39.78 38.78 1sg3 n ASN 20 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sg3 n LYS 21 N -1.45 -6.19 -3.33 3.52 4.01 -0.41 -4.70 118.16 109.61 1sg3 n LYS 21 Ca 0.08 0.74 -0.20 0.00 -0.51 0.00 0.00 58.31 58.42 1sg3 n LYS 21 Cb 0.28 -5.60 -0.00 0.00 -0.51 0.00 0.00 35.03 29.20 1sg3 n LYS 21 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1sg3 s ALA 22 N -3.44 4.35 0.19 7.82 0.00 0.24 -4.49 121.76 126.43 1sg3 s ALA 22 Ca 0.19 -1.79 -0.13 0.00 0.00 0.00 0.00 51.96 50.23 1sg3 s ALA 22 Cb -0.09 -1.26 0.01 0.00 0.00 0.00 0.00 23.12 21.78 1sg3 s ALA 22 CO 0.77 -0.36 0.42 0.54 0.00 0.00 0.00 175.76 177.13 1sg3 s VAL 23 N -2.49 0.04 -0.71 0.00 0.11 -0.41 -4.59 120.40 112.35 1sg3 s VAL 23 Ca 0.51 -1.13 -0.27 0.00 -2.93 0.00 0.00 61.98 58.16 1sg3 s VAL 23 Cb -0.06 -1.79 0.01 0.00 -1.53 0.00 0.00 36.38 33.01 1sg3 s VAL 23 CO 0.31 -0.17 1.52 -0.62 -3.33 0.00 0.00 175.10 172.80 1sg3 s ASP 24 N -2.94 5.82 0.00 3.54 2.15 -1.26 -1.05 116.67 122.93 1sg3 s ASP 24 Ca 0.15 -0.21 0.27 0.00 0.43 0.00 0.00 52.55 53.19 1sg3 s ASP 24 Cb 0.01 -2.55 1.50 0.00 -0.30 0.00 0.00 42.92 41.58 1sg3 s ASP 24 CO 0.00 -2.05 1.98 0.55 -0.17 0.00 0.00 175.17 175.48 1sg3 n VAL 25 N 6.75 0.02 0.10 1.11 3.14 -0.74 -3.81 118.33 124.90 1sg3 n VAL 25 Ca 0.12 -0.07 0.01 0.00 -2.96 0.00 0.00 64.34 61.44 1sg3 n VAL 25 Cb 0.50 -0.22 -0.01 0.00 -1.06 0.00 0.00 33.84 33.05 1sg3 n VAL 25 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1sg3 n ILE 26 N -0.66 0.00 -1.89 1.55 -5.35 -1.26 -2.79 119.36 108.96 1sg3 n ILE 26 Ca 0.20 -0.46 -0.37 0.00 -0.27 0.00 0.00 62.75 61.85 1sg3 n ILE 26 Cb 0.16 1.01 0.04 0.00 -1.74 0.00 0.00 39.64 39.10 1sg3 n ILE 26 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1sg3 s GLY 27 N -1.05 2.83 0.14 3.28 0.00 -1.25 -3.75 107.32 107.53 1sg3 s GLY 27 Ca 0.01 1.18 -0.18 0.00 0.00 0.00 0.00 44.72 45.74 1sg3 s GLY 27 CO 0.08 1.64 1.75 1.48 0.00 0.00 0.00 173.10 178.05 1sg3 h SER 28 N 1.19 0.11 -1.65 1.64 4.64 -1.46 0.44 113.55 118.46 1sg3 h SER 28 Ca -0.51 0.03 0.52 0.00 -0.47 0.00 0.00 61.79 61.36 1sg3 h SER 28 Cb 1.30 0.02 -0.11 0.00 -0.31 0.00 0.00 62.40 63.30 1sg3 h SER 28 CO 0.56 0.10 1.13 0.07 -0.87 0.00 0.00 176.83 177.82 1sg3 h LYS 29 N 0.23 0.01 -0.01 4.77 2.10 -1.89 0.95 116.57 122.73 1sg3 h LYS 29 Ca 0.13 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 1sg3 h LYS 29 Cb 0.10 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1sg3 h LYS 29 CO -0.13 0.01 -0.54 -0.11 -2.00 0.00 0.00 179.45 176.67 1sg3 n LEU 30 N -4.36 1.63 0.00 7.07 0.00 -0.97 -4.84 117.00 115.52 1sg3 n LEU 30 Ca 0.42 -0.70 0.00 0.00 0.00 0.00 0.00 56.01 55.73 1sg3 n LEU 30 Cb 1.76 0.00 0.00 0.00 0.00 0.00 0.00 43.42 45.18 1sg3 n LEU 30 CO 0.31 0.32 0.00 0.61 0.00 0.00 0.00 177.39 178.63 1sg3 n GLY 31 N 1.35 0.89 3.78 -3.96 0.00 0.33 -4.46 105.19 103.11 1sg3 n GLY 31 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1sg3 n GLY 31 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sg3 s GLY 32 N -0.16 2.88 -0.06 -0.02 0.00 0.11 -3.79 107.32 106.28 1sg3 s GLY 32 Ca 0.00 1.55 -0.05 0.00 0.00 0.00 0.00 44.72 46.22 1sg3 s GLY 32 CO 0.00 2.26 0.16 1.62 0.00 0.00 0.00 173.10 177.14 1sg3 s GLN 33 N -1.93 0.17 0.05 2.90 0.74 -0.97 -4.08 119.66 116.53 1sg3 s GLN 33 Ca 0.53 0.25 -0.30 0.00 0.05 0.00 0.00 55.36 55.89 1sg3 s GLN 33 Cb -0.46 0.04 -0.05 0.00 1.10 0.00 0.00 33.01 33.64 1sg3 s GLN 33 CO 0.61 -0.05 1.18 0.08 -0.55 0.00 0.00 175.29 176.57 1sg3 s VAL 34 N 0.27 4.11 -0.18 1.34 1.01 -1.26 -0.96 120.40 124.73 1sg3 s VAL 34 Ca -0.02 1.51 -0.04 0.00 0.00 0.00 0.00 61.98 63.43 1sg3 s VAL 34 Cb -0.03 -3.97 -0.22 0.00 0.00 0.00 0.00 36.38 32.16 1sg3 s VAL 34 CO -0.01 0.11 0.11 0.52 0.00 0.00 0.00 175.10 175.83 1sg3 n VAL 35 N 3.99 1.65 -3.93 2.92 0.31 0.15 -4.91 118.33 118.52 1sg3 n VAL 35 Ca 0.09 -0.59 -0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1sg3 n VAL 35 Cb 0.47 -1.64 0.02 0.00 -0.91 0.00 0.00 33.84 31.78 1sg3 n VAL 35 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1sg3 s SER 36 N -6.85 0.01 0.07 4.52 1.04 -1.12 -4.99 113.70 106.38 1sg3 s SER 36 Ca -0.28 -0.45 -0.27 0.00 0.48 0.00 0.00 55.95 55.43 1sg3 s SER 36 Cb 0.08 0.33 0.08 0.00 0.10 0.00 0.00 66.02 66.61 1sg3 s SER 36 CO 0.69 -0.66 0.86 0.72 0.98 0.00 0.00 173.24 175.82 1sg3 s PHE 37 N -2.09 -0.31 0.01 5.02 -0.12 -1.26 0.13 117.98 119.36 1sg3 s PHE 37 Ca 0.25 0.10 0.10 0.00 -0.05 0.00 0.00 56.93 57.34 1sg3 s PHE 37 Cb -0.02 0.58 -0.13 0.00 -0.63 0.00 0.00 43.02 42.82 1sg3 s PHE 37 CO 0.02 -0.70 1.23 0.66 -0.05 0.00 0.00 175.22 176.39 1sg3 h SER 38 N 2.00 0.00 -4.08 1.98 4.64 -1.03 -3.48 113.55 113.57 1sg3 h SER 38 Ca -0.24 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.23 1sg3 h SER 38 Cb 1.25 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.13 1sg3 h SER 38 CO 0.30 0.84 0.66 -0.62 -0.87 0.00 0.00 176.83 177.14 1sg3 s ASP 39 N -6.52 -0.27 0.00 4.97 2.15 -1.26 -5.00 116.67 110.74 1sg3 s ASP 39 Ca 0.01 0.18 0.14 0.00 0.43 0.00 0.00 52.55 53.32 1sg3 s ASP 39 Cb 0.09 0.24 0.24 0.00 -0.30 0.00 0.00 42.92 43.19 1sg3 s ASP 39 CO 0.80 -0.32 1.06 -0.62 -0.17 0.00 0.00 175.17 175.92 1sg3 n GLU 40 N 0.34 0.00 -0.33 4.34 1.02 -1.26 -4.64 120.64 120.10 1sg3 n GLU 40 Ca -0.06 -1.49 -0.09 0.00 -0.02 0.00 0.00 57.16 55.50 1sg3 n GLU 40 Cb 0.59 0.01 -0.08 0.00 -0.02 0.00 0.00 31.44 31.94 1sg3 n GLU 40 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1sg3 n TRP 41 N 0.28 -0.35 0.08 -0.32 -0.00 -1.11 -2.65 117.44 113.36 1sg3 n TRP 41 Ca -0.02 0.99 0.08 0.00 -0.00 0.00 0.00 57.50 58.54 1sg3 n TRP 41 Cb 0.94 -0.56 -0.03 0.00 -0.00 0.00 0.00 31.31 31.66 1sg3 n TRP 41 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 1sg3 n PHE 42 N -4.84 0.95 -3.66 5.87 3.01 -0.44 -4.92 117.46 113.43 1sg3 n PHE 42 Ca 0.02 0.29 -0.08 0.00 1.01 0.00 0.00 57.45 58.68 1sg3 n PHE 42 Cb 0.21 -0.99 -0.08 0.00 -0.01 0.00 0.00 39.48 38.60 1sg3 n PHE 42 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1sg3 s ALA 43 N -3.22 -1.53 0.16 4.37 0.00 -1.04 -4.63 121.76 115.87 1sg3 s ALA 43 Ca -0.02 2.04 -0.34 0.00 0.00 0.00 0.00 51.96 53.65 1sg3 s ALA 43 Cb 0.09 -1.24 -0.15 0.00 0.00 0.00 0.00 23.12 21.82 1sg3 s ALA 43 CO 0.80 -0.37 1.37 0.45 0.00 0.00 0.00 175.76 178.01 1sg3 n SER 44 N 4.38 2.18 0.24 0.00 2.88 -1.24 -1.08 113.62 120.99 1sg3 n SER 44 Ca -0.21 1.12 0.09 0.00 -1.33 0.00 0.00 58.87 58.54 1sg3 n SER 44 Cb 0.57 -1.31 0.62 0.00 -0.75 0.00 0.00 64.21 63.33 1sg3 n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sg3 h ALA 45 N 4.50 1.56 0.00 -1.46 0.00 -1.89 -2.52 119.26 119.45 1sg3 h ALA 45 Ca -0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1sg3 h ALA 45 Cb 1.30 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1sg3 h ALA 45 CO 0.78 0.18 -0.07 0.93 0.00 0.00 0.00 179.25 181.07 1sg3 h GLU 46 N 0.00 0.00 0.00 0.00 5.08 -1.91 -2.61 114.58 115.14 1sg3 h GLU 46 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sg3 h GLU 46 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1sg3 h GLU 46 CO 0.02 0.07 -0.00 -0.91 -1.00 0.00 0.00 179.01 177.18 1sg3 h ASN 47 N 0.00 0.00 -0.60 1.42 2.35 -1.71 -3.15 115.58 113.88 1sg3 h ASN 47 Ca -0.00 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 1sg3 h ASN 47 Cb 0.24 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.49 1sg3 h ASN 47 CO 0.01 0.00 -0.18 -0.07 -1.65 0.00 0.00 177.43 175.54 1sg3 h LEU 48 N 0.00 -0.66 -1.35 1.61 3.38 -1.63 -2.48 115.31 114.19 1sg3 h LEU 48 Ca -0.00 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1sg3 h LEU 48 Cb 0.01 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1sg3 h LEU 48 CO 0.00 -0.22 0.00 2.30 0.09 0.00 0.00 178.44 180.61 1sg3 n ILE 49 N -5.43 0.51 -2.05 1.22 -5.35 -1.19 -2.34 119.36 104.74 1sg3 n ILE 49 Ca 0.07 -0.48 -0.36 0.00 -0.27 0.00 0.00 62.75 61.70 1sg3 n ILE 49 Cb 0.33 0.21 0.02 0.00 -1.74 0.00 0.00 39.64 38.47 1sg3 n ILE 49 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1sg3 s GLN 50 N -1.54 3.18 0.40 6.28 -1.52 -0.94 -1.67 119.66 123.85 1sg3 s GLN 50 Ca 0.24 1.86 0.27 0.00 -1.95 0.00 0.00 55.36 55.78 1sg3 s GLN 50 Cb 0.13 -2.07 0.86 0.00 -0.22 0.00 0.00 33.01 31.70 1sg3 s GLN 50 CO 0.16 -1.05 1.78 -1.00 -0.25 0.00 0.00 175.29 174.92 1sg3 h PRO 51 N 1.21 0.00 -7.37 2.91 0.13 -1.92 -3.46 132.00 123.50 1sg3 h PRO 51 Ca -0.50 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.12 1sg3 h PRO 51 Cb 1.29 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.50 1sg3 h PRO 51 CO 0.56 0.00 0.39 0.95 -0.23 0.00 0.00 178.00 179.67 1sg3 s THR 52 N -3.35 4.12 0.34 1.56 -4.23 -1.26 -5.04 115.64 107.79 1sg3 s THR 52 Ca 0.05 0.69 -0.19 0.00 -1.18 0.00 0.00 61.69 61.06 1sg3 s THR 52 Cb 0.08 -3.55 -0.10 0.00 1.34 0.00 0.00 72.50 70.28 1sg3 s THR 52 CO 0.57 -0.90 0.84 0.00 -0.54 0.00 0.00 174.62 174.59 1sg3 s ALA 53 N -3.14 3.22 0.36 3.99 0.00 -1.26 -4.98 121.76 119.96 1sg3 s ALA 53 Ca 0.57 0.26 -0.26 0.00 0.00 0.00 0.00 51.96 52.53 1sg3 s ALA 53 Cb -0.13 -2.97 -0.12 0.00 0.00 0.00 0.00 23.12 19.90 1sg3 s ALA 53 CO 0.54 0.24 0.98 -0.35 0.00 0.00 0.00 175.76 177.17 1sg3 n PRO 54 N -0.15 1.31 -5.09 0.00 -0.04 -1.26 -4.99 135.00 124.78 1sg3 n PRO 54 Ca 0.04 0.47 -0.29 0.00 -0.04 0.00 0.00 63.50 63.67 1sg3 n PRO 54 Cb 0.53 -1.93 -0.15 0.00 -0.04 0.00 0.00 33.50 31.91 1sg3 n PRO 54 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1sg3 s ILE 55 N -1.20 1.89 0.00 0.52 1.10 -1.26 -5.10 121.20 117.15 1sg3 s ILE 55 Ca 0.61 -1.09 0.00 0.00 -0.51 0.00 0.00 60.65 59.66 1sg3 s ILE 55 Cb -0.62 -1.58 0.00 0.00 0.15 0.00 0.00 42.46 40.41 1sg3 s ILE 55 CO 0.58 0.47 0.00 -1.14 -2.11 0.00 0.00 174.94 172.75 1sg3 n ARG 56 N 2.33 1.16 0.00 3.50 0.63 -1.26 -4.01 116.66 119.01 1sg3 n ARG 56 Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 1sg3 n ARG 56 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1sg3 n ARG 56 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1sg3 n ASP 57 N -0.05 0.00 -1.57 6.15 4.64 -1.26 -4.88 116.55 119.59 1sg3 n ASP 57 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 1sg3 n ASP 57 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 1sg3 n ASP 57 CO 0.00 0.00 0.00 1.87 -0.82 0.00 0.00 177.20 178.25 1sg3 n TRP 67 N 0.00 -3.94 -3.91 -0.67 -0.00 -1.26 -5.23 117.44 102.43 1sg3 n TRP 67 Ca 0.00 2.13 -0.18 0.00 -0.00 0.00 0.00 57.50 59.45 1sg3 n TRP 67 Cb 0.00 -3.26 -0.16 0.00 -0.00 0.00 0.00 31.31 27.89 1sg3 n TRP 67 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 1sg3 s TYR 68 N -4.86 0.35 -1.25 5.87 1.51 -1.26 -5.05 117.35 112.65 1sg3 s TYR 68 Ca 0.00 -0.01 -0.20 0.00 -1.01 0.00 0.00 57.07 55.86 1sg3 s TYR 68 Cb 0.00 -0.46 0.01 0.00 -0.11 0.00 0.00 41.96 41.39 1sg3 s TYR 68 CO 0.00 -0.15 1.84 -3.47 -1.11 0.00 0.00 175.55 172.66 1sg3 n ASP 69 N 4.31 4.15 0.00 2.29 -0.08 -1.26 -4.74 116.55 121.22 1sg3 n ASP 69 Ca -0.23 -2.83 0.00 0.00 -1.51 0.00 0.00 54.79 50.22 1sg3 n ASP 69 Cb 0.50 -1.72 0.00 0.00 2.34 0.00 0.00 41.12 42.24 1sg3 n ASP 69 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sg3 n GLY 70 N 5.43 -0.83 3.47 0.27 0.00 -1.26 -4.65 105.19 107.62 1sg3 n GLY 70 Ca 0.48 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 1sg3 n GLY 70 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1sg3 s TRP 71 N -3.00 2.91 -0.13 1.61 -0.00 0.96 -3.68 118.94 117.61 1sg3 s TRP 71 Ca 0.00 -0.33 -0.06 0.00 -0.00 0.00 0.00 56.10 55.71 1sg3 s TRP 71 Cb 0.00 -1.84 0.06 0.00 -0.00 0.00 0.00 33.47 31.69 1sg3 s TRP 71 CO 0.00 0.01 0.29 -2.00 -0.00 0.00 0.00 176.95 175.25 1sg3 s GLU 72 N 0.01 0.23 0.39 5.86 2.12 -0.24 -1.44 118.70 125.63 1sg3 s GLU 72 Ca -0.02 0.69 0.05 0.00 0.36 0.00 0.00 54.97 56.06 1sg3 s GLU 72 Cb -0.14 -0.03 -0.00 0.00 0.26 0.00 0.00 34.13 34.22 1sg3 s GLU 72 CO 0.03 -0.21 0.56 0.95 -0.54 0.00 0.00 175.26 176.05 1sg3 s THR 73 N 1.81 3.78 1.01 -1.70 -4.23 -0.86 -1.33 115.64 114.12 1sg3 s THR 73 Ca -0.05 -0.85 -0.12 0.00 -1.18 0.00 0.00 61.69 59.49 1sg3 s THR 73 Cb -0.11 -3.33 0.19 0.00 1.34 0.00 0.00 72.50 70.59 1sg3 s THR 73 CO -0.10 -0.16 1.08 0.00 -0.54 0.00 0.00 174.62 174.90 1sg3 s ARG 74 N -4.34 0.36 0.55 3.99 1.04 -1.26 -4.48 118.95 114.80 1sg3 s ARG 74 Ca 0.48 0.79 -0.15 0.00 -1.04 0.00 0.00 55.73 55.81 1sg3 s ARG 74 Cb -0.10 -1.71 -0.07 0.00 -2.04 0.00 0.00 34.95 31.04 1sg3 s ARG 74 CO 0.34 -2.85 1.00 1.03 -0.04 0.00 0.00 175.30 174.78 1sg3 s ARG 75 N -4.79 3.81 -0.79 3.89 0.52 -1.26 -4.56 118.95 115.77 1sg3 s ARG 75 Ca 0.66 0.91 -0.01 0.00 -0.52 0.00 0.00 55.73 56.76 1sg3 s ARG 75 Cb -0.20 -2.11 -0.01 0.00 0.52 0.00 0.00 34.95 33.14 1sg3 s ARG 75 CO 0.59 -0.39 0.72 0.72 0.02 0.00 0.00 175.30 176.97 1sg3 n HIS 76 N -1.94 -2.81 -2.37 -0.53 8.25 -1.26 -4.95 115.22 109.60 1sg3 n HIS 76 Ca 0.06 1.06 -0.42 0.00 -0.26 0.00 0.00 57.72 58.17 1sg3 n HIS 76 Cb 0.54 -3.98 -0.03 0.00 1.12 0.00 0.00 29.99 27.64 1sg3 n HIS 76 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1sg3 s ASN 77 N -3.06 7.05 0.18 0.41 3.04 -1.26 -4.93 114.94 116.38 1sg3 s ASN 77 Ca 0.06 2.14 0.03 0.00 0.04 0.00 0.00 52.86 55.13 1sg3 s ASN 77 Cb -0.01 -2.59 0.06 0.00 -1.54 0.00 0.00 41.25 37.17 1sg3 s ASN 77 CO 0.77 -0.46 1.43 -0.33 -3.04 0.00 0.00 177.10 175.47 1sg3 h GLU 78 N 6.20 0.22 -7.76 0.43 5.08 -1.93 -3.45 114.58 113.37 1sg3 h GLU 78 Ca -0.43 -0.21 -0.44 0.00 -1.00 0.00 0.00 59.36 57.28 1sg3 h GLU 78 Cb 1.21 0.05 0.16 0.00 0.50 0.00 0.00 28.75 30.68 1sg3 h GLU 78 CO 0.79 0.91 0.39 -1.64 -1.00 0.00 0.00 179.01 178.46 1sg3 s MET 79 N -3.37 0.54 0.47 2.33 -1.94 -1.26 -4.97 119.30 111.10 1sg3 s MET 79 Ca -0.03 -0.32 0.27 0.00 -1.71 0.00 0.00 55.69 53.89 1sg3 s MET 79 Cb 0.11 -1.83 0.88 0.00 2.01 0.00 0.00 34.83 36.00 1sg3 s MET 79 CO 0.82 -2.50 1.80 1.49 -0.01 0.00 0.00 175.02 176.63 1sg3 h GLU 80 N -1.70 0.00 -2.23 2.03 4.81 -1.92 -3.47 114.58 112.10 1sg3 h GLU 80 Ca -0.45 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 58.89 1sg3 h GLU 80 Cb 1.25 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.47 1sg3 h GLU 80 CO 0.40 0.11 0.50 1.52 -0.73 0.00 0.00 179.01 180.81 1sg3 s TYR 81 N -3.50 -0.35 0.25 0.92 -0.85 -1.26 -4.34 117.35 108.22 1sg3 s TYR 81 Ca 0.03 0.25 0.02 0.00 -0.52 0.00 0.00 57.07 56.85 1sg3 s TYR 81 Cb 0.08 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.92 1sg3 s TYR 81 CO 0.62 -0.53 0.40 -0.51 -1.52 0.00 0.00 175.55 174.01 1sg3 s ASP 82 N -2.38 6.33 0.10 -0.18 1.01 0.66 -4.90 116.67 117.30 1sg3 s ASP 82 Ca 0.04 0.24 -0.11 0.00 0.71 0.00 0.00 52.55 53.43 1sg3 s ASP 82 Cb -0.01 -1.94 0.01 0.00 1.01 0.00 0.00 42.92 42.00 1sg3 s ASP 82 CO -0.08 -0.10 0.27 -1.66 0.21 0.00 0.00 175.17 173.80 1sg3 s TRP 83 N -2.01 0.02 0.00 4.23 1.48 -1.26 -0.31 118.94 121.10 1sg3 s TRP 83 Ca 0.36 -0.41 0.01 0.00 -1.06 0.00 0.00 56.10 55.00 1sg3 s TRP 83 Cb -0.10 0.06 -0.00 0.00 -1.16 0.00 0.00 33.47 32.27 1sg3 s TRP 83 CO 0.31 -0.60 -0.03 0.54 -4.06 0.00 0.00 176.95 173.11 1sg3 s VAL 84 N -3.84 0.20 -0.18 -0.66 0.11 -0.86 -0.27 120.40 114.90 1sg3 s VAL 84 Ca 0.04 -0.18 -0.02 0.00 -2.93 0.00 0.00 61.98 58.89 1sg3 s VAL 84 Cb 0.04 -0.19 -0.01 0.00 -1.53 0.00 0.00 36.38 34.69 1sg3 s VAL 84 CO -0.11 0.01 -0.08 -0.63 -3.33 0.00 0.00 175.10 170.96 1sg3 s ILE 85 N -0.17 3.28 -0.06 7.04 1.01 0.12 -1.48 121.20 130.94 1sg3 s ILE 85 Ca -0.00 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.14 1sg3 s ILE 85 Cb -0.02 -2.44 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 1sg3 s ILE 85 CO -0.00 0.48 -0.21 -0.63 0.00 0.00 0.00 174.94 174.57 1sg3 s ILE 86 N 0.90 1.80 -0.12 2.92 1.01 -0.03 0.35 121.20 128.03 1sg3 s ILE 86 Ca -0.02 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.61 1sg3 s ILE 86 Cb -0.15 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 1sg3 s ILE 86 CO 0.00 0.50 0.26 -0.75 0.00 0.00 0.00 174.94 174.96 1sg3 s LYS 87 N 0.06 3.94 0.46 2.79 2.20 -0.13 -0.44 119.74 128.60 1sg3 s LYS 87 Ca -0.08 0.08 -0.24 0.00 -0.36 0.00 0.00 55.97 55.37 1sg3 s LYS 87 Cb -0.14 -3.31 -0.07 0.00 -1.51 0.00 0.00 37.83 32.79 1sg3 s LYS 87 CO 0.04 0.50 1.30 -1.64 -0.36 0.00 0.00 175.35 175.20 1sg3 s MET 88 N -0.33 3.69 0.00 4.03 -1.94 -0.00 -2.29 119.30 122.46 1sg3 s MET 88 Ca 0.17 2.13 -0.21 0.00 -1.71 0.00 0.00 55.69 56.07 1sg3 s MET 88 Cb -0.13 -2.56 -0.20 0.00 2.01 0.00 0.00 34.83 33.96 1sg3 s MET 88 CO 0.06 -0.71 1.18 0.78 -0.01 0.00 0.00 175.02 176.31 1sg3 h GLY 89 N 2.22 0.35 -1.34 -0.03 0.00 -1.61 -3.45 103.07 99.21 1sg3 h GLY 89 Ca -0.50 -0.49 -0.51 0.00 0.00 0.00 0.00 47.33 45.83 1sg3 h GLY 89 CO 0.61 0.44 0.03 -0.62 0.00 0.00 0.00 176.54 177.00 1sg3 n VAL 90 N -4.44 0.00 -0.04 4.60 0.31 -1.26 -4.90 118.33 112.59 1sg3 n VAL 90 Ca -0.08 -0.11 -0.05 0.00 -0.01 0.00 0.00 64.34 64.08 1sg3 n VAL 90 Cb 0.49 -0.94 0.15 0.00 -0.91 0.00 0.00 33.84 32.64 1sg3 n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sg3 h ALA 91 N -2.00 1.01 -1.18 3.52 0.00 -1.87 -3.47 119.26 115.27 1sg3 h ALA 91 Ca -0.47 -0.34 0.30 0.00 0.00 0.00 0.00 54.91 54.40 1sg3 h ALA 91 Cb 1.29 -0.14 -0.21 0.00 0.00 0.00 0.00 17.79 18.72 1sg3 h ALA 91 CO 0.41 0.59 0.93 0.00 0.00 0.00 0.00 179.25 181.18 1sg3 s ALA 92 N -4.61 -2.16 0.16 0.00 0.00 -1.26 -4.81 121.76 109.08 1sg3 s ALA 92 Ca -0.08 1.82 -0.23 0.00 0.00 0.00 0.00 51.96 53.47 1sg3 s ALA 92 Cb 0.14 -0.43 0.07 0.00 0.00 0.00 0.00 23.12 22.89 1sg3 s ALA 92 CO 0.81 -0.53 0.63 0.00 0.00 0.00 0.00 175.76 176.67 1sg3 s ALA 93 N -2.04 -1.58 -0.12 0.00 0.00 -0.70 -0.79 121.76 116.53 1sg3 s ALA 93 Ca 0.11 0.44 -0.04 0.00 0.00 0.00 0.00 51.96 52.46 1sg3 s ALA 93 Cb -0.01 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 1sg3 s ALA 93 CO -0.03 -0.79 0.03 -1.01 0.00 0.00 0.00 175.76 173.95 1sg3 s HIS 94 N -3.73 3.23 0.02 0.00 3.76 -0.54 -0.77 115.29 117.25 1sg3 s HIS 94 Ca 0.02 0.16 -0.06 0.00 -0.15 0.00 0.00 55.06 55.02 1sg3 s HIS 94 Cb -0.01 -1.90 -0.05 0.00 1.11 0.00 0.00 32.58 31.73 1sg3 s HIS 94 CO -0.11 0.37 0.28 0.42 -0.85 0.00 0.00 174.74 174.85 1sg3 s ILE 95 N -0.46 5.29 -0.00 0.60 -1.09 -1.26 -0.09 121.20 124.19 1sg3 s ILE 95 Ca 0.09 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 1sg3 s ILE 95 Cb -0.12 -3.57 -0.00 0.00 -1.58 0.00 0.00 42.46 37.18 1sg3 s ILE 95 CO 0.02 0.34 -0.00 -0.38 -1.23 0.00 0.00 174.94 173.69 1sg3 n ILE 96 N 1.04 0.02 -2.65 2.92 -0.00 -0.92 -1.79 119.36 117.97 1sg3 n ILE 96 Ca -0.11 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.64 1sg3 n ILE 96 Cb 0.53 -0.71 0.00 0.00 -0.00 0.00 0.00 39.64 39.46 1sg3 n ILE 96 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1sg3 n GLY 97 N 3.28 -0.57 0.00 7.39 0.00 -1.22 0.05 105.19 114.13 1sg3 n GLY 97 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1sg3 n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sg3 n GLY 98 N 0.00 -0.75 3.15 -0.02 0.00 -0.69 0.75 105.19 107.62 1sg3 n GLY 98 Ca 0.00 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 1sg3 n GLY 98 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sg3 s GLU 99 N -0.23 0.99 -0.32 1.61 2.12 0.17 -1.91 118.70 121.12 1sg3 s GLU 99 Ca 0.00 -0.74 -0.01 0.00 0.36 0.00 0.00 54.97 54.58 1sg3 s GLU 99 Cb 0.00 -1.00 0.11 0.00 0.26 0.00 0.00 34.13 33.50 1sg3 s GLU 99 CO 0.00 0.25 0.12 0.42 -0.54 0.00 0.00 175.26 175.51 1sg3 s ILE 100 N -0.79 0.80 -0.26 -3.70 -1.09 -0.93 0.14 121.20 115.37 1sg3 s ILE 100 Ca 0.02 -1.47 -0.13 0.00 -2.23 0.00 0.00 60.65 56.84 1sg3 s ILE 100 Cb -0.08 -1.60 -0.04 0.00 -1.58 0.00 0.00 42.46 39.16 1sg3 s ILE 100 CO 0.01 -0.72 0.28 -0.62 -1.23 0.00 0.00 174.94 172.66 1sg3 s ASP 101 N 1.51 6.16 -0.16 3.58 -1.08 -0.24 -2.30 116.67 124.14 1sg3 s ASP 101 Ca 0.11 0.18 0.17 0.00 -0.52 0.00 0.00 52.55 52.48 1sg3 s ASP 101 Cb -0.18 -2.16 0.77 0.00 -1.46 0.00 0.00 42.92 39.88 1sg3 s ASP 101 CO -0.22 -0.09 1.68 0.35 0.52 0.00 0.00 175.17 177.41 1sg3 n THR 102 N 4.91 2.20 -1.31 1.71 -2.24 -0.29 0.11 114.28 119.37 1sg3 n THR 102 Ca -0.11 -1.27 -0.51 0.00 -2.27 0.00 0.00 64.05 59.89 1sg3 n THR 102 Cb 0.51 -0.04 -0.07 0.00 -2.10 0.00 0.00 70.33 68.63 1sg3 n THR 102 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sg3 n ALA 103 N 0.95 -3.14 -0.88 6.98 0.00 -1.26 -1.48 120.51 121.68 1sg3 n ALA 103 Ca 0.27 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.22 1sg3 n ALA 103 Cb 1.02 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1sg3 n ALA 103 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1sg3 n PHE 104 N 1.39 0.00 -3.57 0.00 3.01 -1.26 -4.61 117.46 112.42 1sg3 n PHE 104 Ca 0.18 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.23 1sg3 n PHE 104 Cb 0.06 -1.13 -0.08 0.00 -0.01 0.00 0.00 39.48 38.33 1sg3 n PHE 104 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1sg3 s PHE 105 N -1.66 3.49 -0.47 1.38 0.40 -0.55 -4.98 117.98 115.59 1sg3 s PHE 105 Ca 0.00 -2.16 -0.13 0.00 -0.60 0.00 0.00 56.93 54.04 1sg3 s PHE 105 Cb 0.00 -3.46 0.09 0.00 0.51 0.00 0.00 43.02 40.16 1sg3 s PHE 105 CO 0.00 -0.95 0.37 1.21 0.70 0.00 0.00 175.22 176.55 1sg3 s ASN 106 N 1.98 5.94 0.00 1.36 2.47 -1.26 -2.50 114.94 122.93 1sg3 s ASN 106 Ca 0.11 -1.58 0.00 0.00 0.42 0.00 0.00 52.86 51.81 1sg3 s ASN 106 Cb -0.21 -2.10 0.00 0.00 -1.45 0.00 0.00 41.25 37.48 1sg3 s ASN 106 CO -0.03 -0.67 0.00 0.61 -3.72 0.00 0.00 177.10 173.29 1sg3 n GLY 107 N 5.08 2.99 1.55 1.21 0.00 -1.26 -4.74 105.19 110.02 1sg3 n GLY 107 Ca -0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 46.02 45.06 1sg3 n GLY 107 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sg3 n ASN 108 N 1.59 3.78 -4.84 1.61 6.94 -1.26 -4.90 115.26 118.17 1sg3 n ASN 108 Ca 0.00 -2.77 -0.29 0.00 -0.02 0.00 0.00 54.58 51.50 1sg3 n ASN 108 Cb 0.00 -0.66 0.11 0.00 -2.36 0.00 0.00 39.78 36.87 1sg3 n ASN 108 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 1sg3 s HIS 109 N -2.09 2.77 -0.06 -2.53 -3.43 -1.26 -1.77 115.29 106.92 1sg3 s HIS 109 Ca 0.35 0.84 -0.30 0.00 -0.80 0.00 0.00 55.06 55.16 1sg3 s HIS 109 Cb 0.28 -3.40 -0.05 0.00 -1.43 0.00 0.00 32.58 27.98 1sg3 s HIS 109 CO 0.09 -2.01 1.61 0.00 -2.00 0.00 0.00 174.74 172.43 1sg3 s ALA 110 N -3.40 3.62 0.02 -1.38 0.00 -1.05 -4.41 121.76 115.16 1sg3 s ALA 110 Ca 0.62 0.91 -0.25 0.00 0.00 0.00 0.00 51.96 53.24 1sg3 s ALA 110 Cb -0.13 -3.73 -0.18 0.00 0.00 0.00 0.00 23.12 19.08 1sg3 s ALA 110 CO 0.51 -1.35 1.41 -1.35 0.00 0.00 0.00 175.76 174.98 1sg3 h PRO 111 N 9.32 -0.08 -4.75 0.00 0.11 -1.81 -3.36 132.00 131.43 1sg3 h PRO 111 Ca -0.38 0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.47 1sg3 h PRO 111 Cb 1.17 0.02 -0.17 0.00 0.11 0.00 0.00 31.00 32.13 1sg3 h PRO 111 CO 0.95 0.22 -0.72 -0.06 -0.21 0.00 0.00 178.00 178.19 1sg3 s PHE 112 N -4.94 0.91 0.02 0.65 0.40 -1.08 -1.63 117.98 112.30 1sg3 s PHE 112 Ca -0.15 -0.74 -0.04 0.00 -0.60 0.00 0.00 56.93 55.41 1sg3 s PHE 112 Cb 0.03 -0.52 -0.01 0.00 0.51 0.00 0.00 43.02 43.03 1sg3 s PHE 112 CO 0.65 -0.08 0.06 0.54 0.70 0.00 0.00 175.22 177.08 1sg3 s VAL 113 N -2.74 0.11 -0.01 -0.44 0.11 -0.86 -0.28 120.40 116.28 1sg3 s VAL 113 Ca 0.05 -0.89 -0.15 0.00 -2.93 0.00 0.00 61.98 58.06 1sg3 s VAL 113 Cb -0.01 -0.48 0.02 0.00 -1.53 0.00 0.00 36.38 34.38 1sg3 s VAL 113 CO -0.02 -0.49 0.31 -0.94 -3.33 0.00 0.00 175.10 170.63 1sg3 s SER 114 N -1.60 -0.19 -0.00 3.54 1.04 -0.87 -1.29 113.70 114.32 1sg3 s SER 114 Ca -0.13 0.08 0.07 0.00 0.48 0.00 0.00 55.95 56.46 1sg3 s SER 114 Cb -0.07 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 1sg3 s SER 114 CO -0.01 -0.45 -0.22 -0.63 0.98 0.00 0.00 173.24 172.90 1sg3 s ILE 115 N -1.36 1.78 0.02 -1.02 1.01 -0.79 -1.66 121.20 119.17 1sg3 s ILE 115 Ca -0.13 -1.03 0.05 0.00 0.00 0.00 0.00 60.65 59.54 1sg3 s ILE 115 Cb -0.05 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 1sg3 s ILE 115 CO 0.04 0.44 -0.15 -1.61 0.00 0.00 0.00 174.94 173.66 1sg3 s GLU 116 N -0.68 1.13 0.38 2.79 2.02 -0.60 -0.97 118.70 122.77 1sg3 s GLU 116 Ca 0.09 -0.68 0.08 0.00 0.02 0.00 0.00 54.97 54.48 1sg3 s GLU 116 Cb -0.09 -1.14 -0.06 0.00 0.10 0.00 0.00 34.13 32.94 1sg3 s GLU 116 CO -0.00 0.30 0.02 0.00 0.02 0.00 0.00 175.26 175.60 1sg3 s ALA 117 N -0.60 3.22 -0.11 5.21 0.00 0.16 -0.02 121.76 129.63 1sg3 s ALA 117 Ca 0.04 -2.13 -0.30 0.00 0.00 0.00 0.00 51.96 49.58 1sg3 s ALA 117 Cb -0.07 -0.14 0.08 0.00 0.00 0.00 0.00 23.12 22.98 1sg3 s ALA 117 CO 0.00 -0.04 0.72 -1.17 0.00 0.00 0.00 175.76 175.28 1sg3 s LEU 118 N -3.73 -0.65 -0.29 0.00 0.20 -0.89 -0.48 118.68 112.84 1sg3 s LEU 118 Ca 0.36 0.83 0.00 0.00 0.69 0.00 0.00 54.13 56.01 1sg3 s LEU 118 Cb 0.04 2.45 0.06 0.00 -0.43 0.00 0.00 46.19 48.32 1sg3 s LEU 118 CO 0.19 -0.51 -0.03 -0.47 -0.29 0.00 0.00 176.35 175.24 1sg3 s TYR 119 N -0.86 3.33 -0.18 5.38 5.04 -1.26 -1.03 117.35 127.77 1sg3 s TYR 119 Ca -0.08 -2.17 -0.01 0.00 -2.44 0.00 0.00 57.07 52.37 1sg3 s TYR 119 Cb -0.01 -2.17 -0.00 0.00 0.35 0.00 0.00 41.96 40.13 1sg3 s TYR 119 CO 0.07 -0.85 -0.12 0.34 -1.34 0.00 0.00 175.55 173.64 1sg3 s ASP 120 N 1.20 3.80 0.00 4.32 2.15 -1.26 -4.94 116.67 121.94 1sg3 s ASP 120 Ca -0.05 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 52.47 1sg3 s ASP 120 Cb -0.20 -1.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.81 1sg3 s ASP 120 CO -0.03 0.04 0.40 -0.62 -0.17 0.00 0.00 175.17 174.78 1sg3 n GLU 121 N 4.38 0.00 -4.35 4.34 -0.58 -1.26 -4.82 120.64 118.35 1sg3 n GLU 121 Ca -0.19 0.29 -0.24 0.00 -0.42 0.00 0.00 57.16 56.60 1sg3 n GLU 121 Cb 0.51 -0.90 -0.09 0.00 -0.57 0.00 0.00 31.44 30.40 1sg3 n GLU 121 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1sg3 s GLY 122 N 0.00 1.74 0.00 0.62 0.00 -1.26 -5.00 107.32 103.41 1sg3 s GLY 122 Ca 0.00 -1.67 -0.28 0.00 0.00 0.00 0.00 44.72 42.77 1sg3 s GLY 122 CO 0.00 -1.72 1.51 -2.21 0.00 0.00 0.00 173.10 170.68 1sg3 n GLU 123 N -0.51 0.00 0.16 2.90 4.07 -1.26 -4.53 120.64 121.47 1sg3 n GLU 123 Ca -0.08 -0.93 0.01 0.00 -0.06 0.00 0.00 57.16 56.10 1sg3 n GLU 123 Cb 0.58 -2.40 0.28 0.00 -0.06 0.00 0.00 31.44 29.84 1sg3 n GLU 123 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 1sg3 h GLU 124 N 9.76 0.01 0.00 5.31 4.11 -1.96 -3.48 114.58 128.33 1sg3 h GLU 124 Ca 0.24 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.66 1sg3 h GLU 124 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1sg3 h GLU 124 CO 1.93 0.48 0.00 0.41 0.07 0.00 0.00 179.01 181.89 1sg3 n GLY 125 N -0.18 -1.29 3.67 1.06 0.00 -1.26 -5.10 105.19 102.08 1sg3 n GLY 125 Ca -0.02 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1sg3 n GLY 125 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sg3 s ASN 126 N -4.00 6.86 0.64 1.61 0.01 -1.26 -5.02 114.94 113.79 1sg3 s ASN 126 Ca 0.00 1.06 -0.18 0.00 -0.71 0.00 0.00 52.86 53.03 1sg3 s ASN 126 Cb 0.00 -2.42 -0.03 0.00 0.41 0.00 0.00 41.25 39.22 1sg3 s ASN 126 CO 0.00 -0.34 1.05 -0.38 -1.51 0.00 0.00 177.10 175.92 1sg3 n ILE 127 N 4.67 3.95 -4.25 0.60 2.08 -1.26 -5.02 119.36 120.13 1sg3 n ILE 127 Ca 0.02 -0.48 -0.27 0.00 0.56 0.00 0.00 62.75 62.59 1sg3 n ILE 127 Cb 0.49 -1.23 -0.09 0.00 -0.75 0.00 0.00 39.64 38.07 1sg3 n ILE 127 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 1sg3 s VAL 128 N -1.54 3.46 0.33 1.39 -7.23 -1.26 -4.88 120.40 110.67 1sg3 s VAL 128 Ca 0.78 -1.53 0.05 0.00 -1.81 0.00 0.00 61.98 59.47 1sg3 s VAL 128 Cb -0.39 -2.72 0.30 0.00 0.56 0.00 0.00 36.38 34.13 1sg3 s VAL 128 CO 0.45 -0.11 1.88 -0.08 -0.31 0.00 0.00 175.10 176.94 1sg3 h GLU 129 N 2.82 0.80 -0.48 4.82 4.22 -2.01 -2.50 114.58 122.26 1sg3 h GLU 129 Ca -0.47 -0.05 0.02 0.00 0.08 0.00 0.00 59.36 58.94 1sg3 h GLU 129 Cb 1.20 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 1sg3 h GLU 129 CO 0.56 0.53 0.29 0.22 -2.18 0.00 0.00 179.01 178.43 1sg3 h ASP 130 N 0.83 0.47 -0.26 1.04 1.82 -2.03 -3.46 116.42 114.82 1sg3 h ASP 130 Ca 0.43 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.85 1sg3 h ASP 130 Cb 0.50 -0.10 0.01 0.00 0.68 0.00 0.00 39.33 40.42 1sg3 h ASP 130 CO -0.19 0.33 0.11 -0.67 -1.61 0.00 0.00 179.24 177.21 1sg3 n ASP 131 N -4.81 0.18 0.00 2.28 4.64 -0.94 -4.77 116.55 113.12 1sg3 n ASP 131 Ca 0.03 0.31 0.02 0.00 -1.38 0.00 0.00 54.79 53.77 1sg3 n ASP 131 Cb 0.07 -0.24 0.11 0.00 -1.04 0.00 0.00 41.12 40.02 1sg3 n ASP 131 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 1sg3 n SER 132 N 0.76 0.00 0.00 1.67 3.41 -1.26 -3.09 113.62 115.11 1sg3 n SER 132 Ca 0.07 -1.42 0.11 0.00 -0.26 0.00 0.00 58.87 57.37 1sg3 n SER 132 Cb 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.05 1sg3 n SER 132 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1sg3 n ARG 133 N -0.58 0.00 -1.86 4.33 1.74 -1.26 -4.92 116.66 114.12 1sg3 n ARG 133 Ca 0.03 -0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.69 1sg3 n ARG 133 Cb 0.01 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.92 1sg3 n ARG 133 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1sg3 s TRP 134 N -3.00 2.22 0.09 -1.55 0.52 -1.18 -4.57 118.94 111.47 1sg3 s TRP 134 Ca 0.10 0.16 0.08 0.00 0.02 0.00 0.00 56.10 56.46 1sg3 s TRP 134 Cb 0.17 -4.04 -0.03 0.00 -1.15 0.00 0.00 33.47 28.42 1sg3 s TRP 134 CO 0.77 -4.26 -0.22 0.08 0.02 0.00 0.00 176.95 173.34 1sg3 s VAL 135 N 2.92 1.77 -0.08 4.03 1.01 0.37 -4.93 120.40 125.49 1sg3 s VAL 135 Ca 0.77 -1.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 1sg3 s VAL 135 Cb -0.41 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1sg3 s VAL 135 CO 0.34 0.05 1.14 -0.70 0.00 0.00 0.00 175.10 175.93 1sg3 s GLU 136 N -1.68 4.37 -0.12 2.72 2.12 -1.26 0.40 118.70 125.25 1sg3 s GLU 136 Ca 0.08 1.58 0.12 0.00 0.36 0.00 0.00 54.97 57.11 1sg3 s GLU 136 Cb -0.10 -3.56 -0.16 0.00 0.26 0.00 0.00 34.13 30.57 1sg3 s GLU 136 CO 0.04 -0.41 0.06 -0.89 -0.54 0.00 0.00 175.26 173.51 1sg3 n ILE 137 N 4.62 0.83 -3.74 -3.70 2.08 -0.15 -4.87 119.36 114.44 1sg3 n ILE 137 Ca 0.10 -0.54 -0.22 0.00 0.56 0.00 0.00 62.75 62.66 1sg3 n ILE 137 Cb 0.47 -0.60 -0.18 0.00 -0.75 0.00 0.00 39.64 38.59 1sg3 n ILE 137 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1sg3 s VAL 138 N -2.36 0.21 0.48 1.39 1.01 -0.89 -4.99 120.40 115.25 1sg3 s VAL 138 Ca -0.06 0.22 -0.24 0.00 0.00 0.00 0.00 61.98 61.90 1sg3 s VAL 138 Cb 0.04 -0.41 -0.07 0.00 0.00 0.00 0.00 36.38 35.94 1sg3 s VAL 138 CO 0.54 0.23 1.38 -1.83 0.00 0.00 0.00 175.10 175.42 1sg3 s GLU 139 N 2.04 3.52 -0.21 2.72 1.03 -1.26 -1.88 118.70 124.66 1sg3 s GLU 139 Ca 0.05 2.31 -0.32 0.00 0.03 0.00 0.00 54.97 57.04 1sg3 s GLU 139 Cb -0.12 -2.52 -0.09 0.00 -0.80 0.00 0.00 34.13 30.60 1sg3 s GLU 139 CO -0.05 -0.91 2.12 1.17 -1.33 0.00 0.00 175.26 176.26 1sg3 n LYS 140 N -0.47 1.81 -4.49 -4.83 4.81 -1.26 -4.77 118.16 108.96 1sg3 n LYS 140 Ca 0.07 0.56 -0.27 0.00 -0.87 0.00 0.00 58.31 57.79 1sg3 n LYS 140 Cb 0.43 -2.85 -0.10 0.00 0.02 0.00 0.00 35.03 32.54 1sg3 n LYS 140 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 1sg3 s PHE 141 N 6.77 2.49 -0.14 5.64 -0.12 -0.41 -4.93 117.98 127.27 1sg3 s PHE 141 Ca 1.01 -0.67 -0.08 0.00 -0.05 0.00 0.00 56.93 57.14 1sg3 s PHE 141 Cb -0.58 -1.82 -0.04 0.00 -0.63 0.00 0.00 43.02 39.94 1sg3 s PHE 141 CO 0.44 0.35 0.13 -2.00 -0.05 0.00 0.00 175.22 174.09 1sg3 s GLU 142 N -3.78 3.62 0.15 1.99 2.12 -1.26 -2.02 118.70 119.52 1sg3 s GLU 142 Ca 0.35 -0.17 0.04 0.00 0.36 0.00 0.00 54.97 55.55 1sg3 s GLU 142 Cb 0.08 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 1sg3 s GLU 142 CO 0.18 0.65 0.20 0.00 -0.54 0.00 0.00 175.26 175.75 1sg3 s GLY 144 N -3.12 2.56 0.22 0.00 0.00 -1.26 -4.74 107.32 100.98 1sg3 s GLY 144 Ca 0.33 -1.53 -0.30 0.00 0.00 0.00 0.00 44.72 43.22 1sg3 s GLY 144 CO 0.26 -2.03 1.17 2.56 0.00 0.00 0.00 173.10 175.06 1sg3 s PRO 145 N -3.93 4.53 -0.51 2.90 0.04 -1.26 -4.42 135.00 132.35 1sg3 s PRO 145 Ca 0.29 1.87 -0.01 0.00 0.04 0.00 0.00 61.00 63.20 1sg3 s PRO 145 Cb 0.03 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1sg3 s PRO 145 CO 0.16 -0.00 0.37 0.45 0.04 0.00 0.00 177.00 178.02 1sg3 n SER 146 N 1.98 -2.89 -3.08 6.66 2.88 -1.04 -4.95 113.62 113.19 1sg3 n SER 146 Ca 0.02 -0.61 -0.08 0.00 -1.33 0.00 0.00 58.87 56.87 1sg3 n SER 146 Cb 0.44 -0.97 0.02 0.00 -0.75 0.00 0.00 64.21 62.96 1sg3 n SER 146 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sg3 s GLN 147 N -3.93 2.08 0.00 -1.46 -2.07 -1.26 -4.77 119.66 108.25 1sg3 s GLN 147 Ca 0.01 -1.32 0.01 0.00 -1.82 0.00 0.00 55.36 52.24 1sg3 s GLN 147 Cb -0.01 0.59 -0.04 0.00 -1.09 0.00 0.00 33.01 32.47 1sg3 s GLN 147 CO 0.55 -0.97 0.04 1.03 -1.32 0.00 0.00 175.29 174.62 1sg3 s ARG 148 N -2.47 2.93 -0.30 9.60 0.52 -1.26 -1.14 118.95 126.82 1sg3 s ARG 148 Ca 0.16 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 54.83 1sg3 s ARG 148 Cb -0.05 -2.77 0.09 0.00 0.52 0.00 0.00 34.95 32.75 1sg3 s ARG 148 CO 0.10 0.63 0.04 -1.01 0.02 0.00 0.00 175.30 175.08 1sg3 s HIS 149 N -1.16 2.70 -0.33 -0.53 3.76 -0.97 -4.95 115.29 113.82 1sg3 s HIS 149 Ca 0.22 -2.24 -0.16 0.00 -0.15 0.00 0.00 55.06 52.73 1sg3 s HIS 149 Cb -0.12 -2.15 -0.02 0.00 1.11 0.00 0.00 32.58 31.41 1sg3 s HIS 149 CO 0.13 -0.88 0.42 -0.51 -0.85 0.00 0.00 174.74 173.05 1sg3 s LEU 150 N 1.28 4.30 0.10 0.89 1.43 -1.26 -2.19 118.68 123.24 1sg3 s LEU 150 Ca 0.06 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.19 1sg3 s LEU 150 Cb -0.18 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 1sg3 s LEU 150 CO -0.13 -0.35 -0.13 0.72 0.23 0.00 0.00 176.35 176.69 1sg3 s PHE 151 N 2.17 1.23 0.01 0.29 -0.12 -0.80 -0.91 117.98 119.85 1sg3 s PHE 151 Ca 0.15 -0.56 0.02 0.00 -0.05 0.00 0.00 56.93 56.49 1sg3 s PHE 151 Cb -0.16 -0.67 -0.01 0.00 -0.63 0.00 0.00 43.02 41.55 1sg3 s PHE 151 CO 0.12 0.07 -0.06 0.08 -0.05 0.00 0.00 175.22 175.38 1sg3 s VAL 152 N -1.99 0.49 0.20 -2.49 1.01 -0.46 -1.71 120.40 115.46 1sg3 s VAL 152 Ca 0.05 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1sg3 s VAL 152 Cb -0.06 -0.46 -0.09 0.00 0.00 0.00 0.00 36.38 35.77 1sg3 s VAL 152 CO 0.02 -0.04 1.29 -0.13 0.00 0.00 0.00 175.10 176.25 1sg3 s ARG 153 N -0.61 4.40 0.23 2.72 0.52 0.11 -1.13 118.95 125.19 1sg3 s ARG 153 Ca -0.02 2.04 -0.06 0.00 -0.52 0.00 0.00 55.73 57.17 1sg3 s ARG 153 Cb -0.05 -3.20 0.31 0.00 0.52 0.00 0.00 34.95 32.54 1sg3 s ARG 153 CO 0.00 -0.23 1.84 0.78 0.02 0.00 0.00 175.30 177.71 1sg3 h GLY 154 N 5.27 1.22 -1.77 -3.53 0.00 -1.89 -1.75 103.07 100.62 1sg3 h GLY 154 Ca -0.45 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.50 1sg3 h GLY 154 CO 0.76 0.24 0.03 0.70 0.00 0.00 0.00 176.54 178.28 1sg3 n ASN 155 N -4.66 2.31 0.00 0.19 3.02 -1.26 -4.88 115.26 109.98 1sg3 n ASN 155 Ca 0.11 -2.24 0.00 0.00 -0.03 0.00 0.00 54.58 52.42 1sg3 n ASN 155 Cb 0.17 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1sg3 n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sg3 n GLY 156 N 0.14 0.87 3.53 7.41 0.00 -0.66 -4.72 105.19 111.75 1sg3 n GLY 156 Ca 0.08 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1sg3 n GLY 156 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sg3 n LEU 157 N 0.00 1.09 -4.73 0.99 4.77 -1.25 -4.71 117.00 113.15 1sg3 n LEU 157 Ca 0.00 1.01 -0.41 0.00 -0.03 0.00 0.00 56.01 56.58 1sg3 n LEU 157 Cb 0.00 -1.21 -0.04 0.00 -2.33 0.00 0.00 43.42 39.84 1sg3 n LEU 157 CO 0.00 -2.17 0.77 0.42 -1.33 0.00 0.00 177.39 175.08 1sg3 s THR 158 N -1.30 4.09 0.42 -5.08 -4.23 -0.74 -4.92 115.64 103.87 1sg3 s THR 158 Ca 0.63 1.72 0.12 0.00 -1.18 0.00 0.00 61.69 62.97 1sg3 s THR 158 Cb -0.63 -4.10 0.31 0.00 1.34 0.00 0.00 72.50 69.43 1sg3 s THR 158 CO 0.58 0.26 1.99 0.07 -0.54 0.00 0.00 174.62 176.97 1sg3 h LYS 159 N 5.55 0.46 -7.05 3.99 2.10 -1.93 -3.43 116.57 116.27 1sg3 h LYS 159 Ca -0.43 -0.03 -0.45 0.00 -2.00 0.00 0.00 60.65 57.74 1sg3 h LYS 159 Cb 1.21 -0.10 0.06 0.00 -0.90 0.00 0.00 32.23 32.50 1sg3 h LYS 159 CO 0.74 0.31 0.10 -1.21 -2.00 0.00 0.00 179.45 177.38 1sg3 s GLU 160 N -5.45 2.50 0.02 0.07 2.02 -1.26 -5.09 118.70 111.51 1sg3 s GLU 160 Ca -0.08 -0.43 0.08 0.00 0.02 0.00 0.00 54.97 54.56 1sg3 s GLU 160 Cb 0.19 -2.33 -0.02 0.00 0.10 0.00 0.00 34.13 32.06 1sg3 s GLU 160 CO 0.75 -0.89 -0.25 -0.98 0.02 0.00 0.00 175.26 173.91 1sg3 s ARG 161 N -4.97 1.82 0.35 1.61 1.70 -1.26 -4.56 118.95 113.63 1sg3 s ARG 161 Ca 0.57 -0.99 0.05 0.00 -0.47 0.00 0.00 55.73 54.89 1sg3 s ARG 161 Cb -0.10 -1.88 -0.07 0.00 -0.57 0.00 0.00 34.95 32.32 1sg3 s ARG 161 CO 0.42 0.50 0.03 -0.06 -1.08 0.00 0.00 175.30 175.11 1sg3 s PHE 162 N -0.71 2.14 0.00 5.89 0.40 0.05 -4.60 117.98 121.15 1sg3 s PHE 162 Ca 0.10 -0.84 0.00 0.00 -0.60 0.00 0.00 56.93 55.59 1sg3 s PHE 162 Cb -0.10 -1.42 0.00 0.00 0.51 0.00 0.00 43.02 42.01 1sg3 s PHE 162 CO 0.01 0.18 0.00 0.25 0.70 0.00 0.00 175.22 176.36 1sg3 n THR 163 N -0.77 0.00 -4.12 0.64 -2.24 -0.20 -1.72 114.28 105.88 1sg3 n THR 163 Ca -0.03 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.59 1sg3 n THR 163 Cb 0.66 0.06 -0.12 0.00 -2.10 0.00 0.00 70.33 68.83 1sg3 n THR 163 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1sg3 s HIS 164 N -1.74 0.93 0.11 4.78 3.76 -0.98 -0.82 115.29 121.32 1sg3 s HIS 164 Ca 0.00 -0.47 0.05 0.00 -0.15 0.00 0.00 55.06 54.49 1sg3 s HIS 164 Cb 0.00 -0.54 -0.04 0.00 1.11 0.00 0.00 32.58 33.12 1sg3 s HIS 164 CO 0.00 -0.02 -0.12 0.96 -0.85 0.00 0.00 174.74 174.71 1sg3 s ILE 165 N -1.30 1.13 -0.09 0.60 -5.25 0.41 -2.10 121.20 114.60 1sg3 s ILE 165 Ca -0.06 -1.69 0.02 0.00 -0.99 0.00 0.00 60.65 57.94 1sg3 s ILE 165 Cb -0.10 -1.45 0.01 0.00 2.95 0.00 0.00 42.46 43.87 1sg3 s ILE 165 CO 0.01 -0.50 -0.16 -0.75 -1.79 0.00 0.00 174.94 171.76 1sg3 s LYS 166 N -2.76 2.16 -0.15 0.37 2.20 0.97 -0.85 119.74 121.69 1sg3 s LYS 166 Ca 0.07 -0.56 -0.06 0.00 -0.36 0.00 0.00 55.97 55.06 1sg3 s LYS 166 Cb -0.04 -1.77 -0.04 0.00 -1.51 0.00 0.00 37.83 34.47 1sg3 s LYS 166 CO 0.01 0.02 0.08 -1.17 -0.36 0.00 0.00 175.35 173.93 1sg3 s LEU 167 N 0.74 3.95 -0.14 5.43 2.96 -0.55 -1.56 118.68 129.52 1sg3 s LEU 167 Ca -0.12 0.20 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1sg3 s LEU 167 Cb -0.16 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.57 1sg3 s LEU 167 CO 0.03 0.27 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.57 1sg3 s LYS 168 N -0.23 2.97 -0.24 1.98 1.02 -0.67 -2.03 119.74 122.54 1sg3 s LYS 168 Ca 0.08 -0.83 -0.06 0.00 0.02 0.00 0.00 55.97 55.18 1sg3 s LYS 168 Cb -0.12 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 34.77 1sg3 s LYS 168 CO 0.01 -0.02 0.02 1.41 -0.92 0.00 0.00 175.35 175.85 1sg3 s MET 169 N 0.83 3.53 -0.31 1.68 -2.45 0.58 -2.06 119.30 121.11 1sg3 s MET 169 Ca -0.07 -0.54 -0.10 0.00 -1.25 0.00 0.00 55.69 53.73 1sg3 s MET 169 Cb -0.15 -3.19 -0.02 0.00 1.25 0.00 0.00 34.83 32.72 1sg3 s MET 169 CO -0.02 -0.19 0.16 0.71 1.05 0.00 0.00 175.02 176.73 1sg3 s TYR 170 N 1.56 3.18 -0.46 4.11 1.51 0.61 -0.25 117.35 127.61 1sg3 s TYR 170 Ca 0.06 -0.42 0.17 0.00 -1.01 0.00 0.00 57.07 55.87 1sg3 s TYR 170 Cb -0.15 -2.37 -0.22 0.00 -0.11 0.00 0.00 41.96 39.12 1sg3 s TYR 170 CO 0.01 -0.40 0.57 -0.35 -1.11 0.00 0.00 175.55 174.26 1sg3 n PRO 171 N 5.01 1.08 -3.61 -1.71 -0.04 -1.26 -2.62 135.00 131.84 1sg3 n PRO 171 Ca -0.14 -0.07 -0.02 0.00 -0.04 0.00 0.00 63.50 63.24 1sg3 n PRO 171 Cb 0.50 -1.34 -0.02 0.00 -0.04 0.00 0.00 33.50 32.60 1sg3 n PRO 171 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1sg3 s ASP 172 N -3.17 -0.05 0.00 3.54 1.47 -1.25 -2.85 116.67 114.36 1sg3 s ASP 172 Ca 0.01 -0.02 0.00 0.00 1.18 0.00 0.00 52.55 53.72 1sg3 s ASP 172 Cb 0.12 0.07 0.00 0.00 -0.34 0.00 0.00 42.92 42.77 1sg3 s ASP 172 CO 0.70 -0.11 0.00 0.61 0.68 0.00 0.00 175.17 177.05 1sg3 n GLY 173 N -0.16 0.02 2.96 2.12 0.00 -1.26 -4.60 105.19 104.28 1sg3 n GLY 173 Ca 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 1sg3 n GLY 173 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sg3 s GLY 174 N 0.00 0.03 -0.05 -0.02 0.00 -0.73 -2.02 107.32 104.53 1sg3 s GLY 174 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 44.72 44.71 1sg3 s GLY 174 CO 0.00 -0.08 -0.10 -0.42 0.00 0.00 0.00 173.10 172.50 1sg3 s ILE 175 N -0.45 0.92 -0.08 0.90 1.01 -0.52 -2.53 121.20 120.44 1sg3 s ILE 175 Ca -0.05 -0.36 -0.26 0.00 0.00 0.00 0.00 60.65 59.98 1sg3 s ILE 175 Cb -0.03 -0.86 -0.26 0.00 0.01 0.00 0.00 42.46 41.32 1sg3 s ILE 175 CO 0.00 0.30 0.92 0.00 0.00 0.00 0.00 174.94 176.16 1sg3 h ALA 176 N 6.94 -0.00 -2.68 9.38 0.00 -0.59 0.27 119.26 132.59 1sg3 h ALA 176 Ca -0.34 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 53.92 1sg3 h ALA 176 Cb 1.17 0.02 -0.19 0.00 0.00 0.00 0.00 17.79 18.80 1sg3 h ALA 176 CO 0.48 0.08 -0.68 1.03 0.00 0.00 0.00 179.25 180.15 1sg3 s ARG 177 N -2.73 0.44 -0.24 0.00 1.81 0.09 -4.20 118.95 114.12 1sg3 s ARG 177 Ca -0.17 -0.85 -0.04 0.00 -1.72 0.00 0.00 55.73 52.96 1sg3 s ARG 177 Cb -0.01 0.15 0.08 0.00 -0.45 0.00 0.00 34.95 34.73 1sg3 s ARG 177 CO 0.73 -0.08 0.10 0.12 -0.68 0.00 0.00 175.30 175.50 1sg3 s PHE 178 N -2.45 0.46 -0.14 -0.53 5.99 -0.99 -1.08 117.98 119.24 1sg3 s PHE 178 Ca -0.07 -0.73 -0.05 0.00 0.00 0.00 0.00 56.93 56.08 1sg3 s PHE 178 Cb -0.03 -0.90 -0.04 0.00 0.00 0.00 0.00 43.02 42.06 1sg3 s PHE 178 CO -0.05 -0.69 0.03 1.03 -0.00 0.00 0.00 175.22 175.54 1sg3 s ARG 179 N 2.05 3.58 -0.17 10.12 1.81 0.12 -4.59 118.95 131.87 1sg3 s ARG 179 Ca 0.05 -0.39 0.00 0.00 -1.72 0.00 0.00 55.73 53.68 1sg3 s ARG 179 Cb -0.16 -3.02 0.04 0.00 -0.45 0.00 0.00 34.95 31.35 1sg3 s ARG 179 CO -0.22 0.43 -0.10 -1.17 -0.68 0.00 0.00 175.30 173.56 1sg3 s LEU 180 N -0.10 1.91 0.04 2.53 2.96 -1.26 0.42 118.68 125.19 1sg3 s LEU 180 Ca 0.05 -0.70 -0.19 0.00 -0.22 0.00 0.00 54.13 53.07 1sg3 s LEU 180 Cb -0.12 -1.12 -0.06 0.00 0.50 0.00 0.00 46.19 45.38 1sg3 s LEU 180 CO 0.02 -0.13 0.56 -0.31 -1.32 0.00 0.00 176.35 175.17 1sg3 s TYR 181 N 1.49 3.76 0.10 5.38 2.02 0.23 -1.78 117.35 128.55 1sg3 s TYR 181 Ca 0.01 1.23 -0.24 0.00 -0.37 0.00 0.00 57.07 57.70 1sg3 s TYR 181 Cb -0.15 -2.52 0.07 0.00 -0.40 0.00 0.00 41.96 38.96 1sg3 s TYR 181 CO -0.09 0.51 0.59 0.20 -1.57 0.00 0.00 175.55 175.19 1sg3 s GLY 182 N -0.79 -0.56 -0.27 0.71 0.00 -0.21 -2.18 107.32 104.02 1sg3 s GLY 182 Ca 0.29 0.62 -0.19 0.00 0.00 0.00 0.00 44.72 45.44 1sg3 s GLY 182 CO 0.18 0.29 0.58 -1.60 0.00 0.00 0.00 173.10 172.55 1sg3 s ARG 183 N -3.12 4.02 0.38 2.90 3.52 0.87 -1.29 118.95 126.23 1sg3 s ARG 183 Ca -0.02 0.36 -0.27 0.00 -0.13 0.00 0.00 55.73 55.68 1sg3 s ARG 183 Cb -0.01 -3.68 -0.09 0.00 -1.56 0.00 0.00 34.95 29.62 1sg3 s ARG 183 CO -0.07 -0.44 1.25 0.08 -0.81 0.00 0.00 175.30 175.31 1sg3 s VAL 184 N 2.44 2.86 -0.38 7.11 1.01 -1.26 -1.47 120.40 130.72 1sg3 s VAL 184 Ca 0.24 0.79 -0.15 0.00 0.00 0.00 0.00 61.98 62.85 1sg3 s VAL 184 Cb -0.15 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1sg3 s VAL 184 CO 0.10 0.13 0.32 -0.69 0.00 0.00 0.00 175.10 174.96 1sg3 s VAL 185 N -1.27 5.21 -0.00 2.92 1.01 0.03 -4.63 120.40 123.68 1sg3 s VAL 185 Ca 0.54 -0.32 -0.36 0.00 0.00 0.00 0.00 61.98 61.84 1sg3 s VAL 185 Cb -0.36 -3.87 -0.14 0.00 0.00 0.00 0.00 36.38 32.01 1sg3 s VAL 185 CO 0.46 -0.20 1.63 -2.65 0.00 0.00 0.00 175.10 174.34 1sg3 n PRO 186 N 5.28 1.72 0.00 2.72 -0.02 -1.26 -4.47 135.00 138.98 1sg3 n PRO 186 Ca -0.10 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1sg3 n PRO 186 Cb 0.48 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1sg3 n PRO 186 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1sg3 n PRO 187 N 4.38 0.00 -0.44 0.52 -0.02 -1.26 -5.08 135.00 133.10 1sg3 n PRO 187 Ca 0.21 0.40 -0.15 0.00 -2.02 0.00 0.00 63.50 61.94 1sg3 n PRO 187 Cb 0.24 -0.77 -0.01 0.00 -0.02 0.00 0.00 33.50 32.94 1sg3 n PRO 187 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1sg3 n ILE 195 N -1.07 0.56 -3.81 4.25 -6.64 -1.26 -5.17 119.36 106.22 1sg3 n ILE 195 Ca 0.00 -0.16 -0.12 0.00 -1.77 0.00 0.00 62.75 60.70 1sg3 n ILE 195 Cb 0.00 0.00 -0.09 0.00 -1.44 0.00 0.00 39.64 38.11 1sg3 n ILE 195 CO 0.00 0.00 0.00 0.27 -1.77 0.00 0.00 176.55 175.05 1sg3 s ILE 196 N -0.35 0.08 -0.45 7.28 -0.00 -1.15 -4.96 121.20 121.65 1sg3 s ILE 196 Ca 0.20 -0.64 -0.28 0.00 -0.00 0.00 0.00 60.65 59.93 1sg3 s ILE 196 Cb -0.28 -0.67 -0.01 0.00 -0.00 0.00 0.00 42.46 41.50 1sg3 s ILE 196 CO 0.18 -0.35 1.69 -0.62 -0.00 0.00 0.00 174.94 175.83 1sg3 s ASP 197 N -1.59 5.85 0.32 4.36 -1.08 -1.26 -2.61 116.67 120.66 1sg3 s ASP 197 Ca -0.11 0.83 0.26 0.00 -0.52 0.00 0.00 52.55 53.01 1sg3 s ASP 197 Cb -0.04 -2.53 1.01 0.00 -1.46 0.00 0.00 42.92 39.89 1sg3 s ASP 197 CO 0.01 -1.82 1.77 -0.07 0.52 0.00 0.00 175.17 175.58 1sg3 h LEU 198 N 14.00 0.00 0.00 -1.34 3.38 -0.71 -3.00 115.31 127.65 1sg3 h LEU 198 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1sg3 h LEU 198 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1sg3 h LEU 198 CO 1.11 0.00 -0.94 0.00 0.09 0.00 0.00 178.44 178.70 1sg3 n ALA 199 N -1.86 4.50 -1.68 1.53 0.00 -1.26 -1.47 120.51 120.27 1sg3 n ALA 199 Ca 0.02 -0.55 -0.43 0.00 0.00 0.00 0.00 53.44 52.49 1sg3 n ALA 199 Cb 0.29 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 1sg3 n ALA 199 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1sg3 n TYR 200 N -1.47 2.57 -0.33 0.00 9.36 -1.13 -4.55 117.16 121.60 1sg3 n TYR 200 Ca 0.04 -0.16 0.27 0.00 3.32 0.00 0.00 57.90 61.37 1sg3 n TYR 200 Cb 0.31 -2.73 0.58 0.00 -0.63 0.00 0.00 39.34 36.86 1sg3 n TYR 200 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 1sg3 h VAL 201 N 4.85 0.46 0.00 2.97 3.04 -1.24 0.11 116.25 126.43 1sg3 h VAL 201 Ca -0.47 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 1sg3 h VAL 201 Cb 1.23 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 1sg3 h VAL 201 CO 0.94 0.05 0.00 0.00 -1.01 0.00 0.00 177.57 177.55 1sg3 n ASN 203 N -2.94 2.50 0.00 0.00 3.02 0.37 -4.38 115.26 113.84 1sg3 n ASN 203 Ca 0.00 -1.85 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 1sg3 n ASN 203 Cb 0.27 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1sg3 n ASN 203 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sg3 n GLY 204 N 1.30 0.58 3.79 7.41 0.00 -0.94 -4.40 105.19 112.92 1sg3 n GLY 204 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1sg3 n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sg3 s ALA 205 N -2.00 2.78 0.02 4.61 0.00 -1.23 -4.36 121.76 121.57 1sg3 s ALA 205 Ca 0.00 0.68 -0.13 0.00 0.00 0.00 0.00 51.96 52.51 1sg3 s ALA 205 Cb 0.00 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.84 1sg3 s ALA 205 CO 0.00 -0.56 0.27 0.54 0.00 0.00 0.00 175.76 176.02 1sg3 s VAL 206 N -1.94 0.08 -0.18 0.00 0.11 -0.89 -4.44 120.40 113.14 1sg3 s VAL 206 Ca 0.69 -0.63 -0.17 0.00 -2.93 0.00 0.00 61.98 58.94 1sg3 s VAL 206 Cb -0.19 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1sg3 s VAL 206 CO 0.24 -0.35 0.45 0.00 -3.33 0.00 0.00 175.10 172.12 1sg3 s ALA 207 N -1.94 3.53 -0.26 1.54 0.00 -1.26 -1.09 121.76 122.28 1sg3 s ALA 207 Ca -0.09 -0.39 -0.16 0.00 0.00 0.00 0.00 51.96 51.31 1sg3 s ALA 207 Cb -0.03 -2.68 -0.14 0.00 0.00 0.00 0.00 23.12 20.26 1sg3 s ALA 207 CO 0.00 -0.24 -0.17 1.28 0.00 0.00 0.00 175.76 176.63 1sg3 n LEU 208 N 4.31 1.93 -4.29 0.00 4.77 -0.24 -4.93 117.00 118.55 1sg3 n LEU 208 Ca -0.07 0.36 -0.17 0.00 -0.03 0.00 0.00 56.01 56.11 1sg3 n LEU 208 Cb 0.51 -0.87 -0.10 0.00 -2.33 0.00 0.00 43.42 40.63 1sg3 n LEU 208 CO 0.41 0.48 -0.43 -0.54 -1.33 0.00 0.00 177.39 175.99 1sg3 s LYS 209 N -2.46 1.17 -0.09 3.23 1.02 -1.17 -4.87 119.74 116.57 1sg3 s LYS 209 Ca -0.36 -1.48 -0.21 0.00 0.02 0.00 0.00 55.97 53.94 1sg3 s LYS 209 Cb 0.12 -0.88 0.05 0.00 -0.52 0.00 0.00 37.83 36.60 1sg3 s LYS 209 CO 0.52 0.14 0.51 1.52 -0.92 0.00 0.00 175.35 177.12 1sg3 s TYR 210 N -3.00 -0.48 0.11 3.18 -0.85 -1.26 -0.10 117.35 114.95 1sg3 s TYR 210 Ca 0.18 0.95 -0.06 0.00 -0.52 0.00 0.00 57.07 57.62 1sg3 s TYR 210 Cb 0.00 0.24 -0.15 0.00 0.38 0.00 0.00 41.96 42.42 1sg3 s TYR 210 CO 0.04 -0.43 1.25 0.66 -1.52 0.00 0.00 175.55 175.55 1sg3 h SER 211 N 4.07 0.57 -4.92 -0.18 4.64 -1.57 -3.48 113.55 112.68 1sg3 h SER 211 Ca -0.28 -0.49 -0.07 0.00 -0.47 0.00 0.00 61.79 60.49 1sg3 h SER 211 Cb 1.16 -0.18 -0.19 0.00 -0.31 0.00 0.00 62.40 62.88 1sg3 h SER 211 CO 0.32 1.30 0.13 -0.62 -0.87 0.00 0.00 176.83 177.09 1sg3 s ASP 212 N -7.14 -0.62 -0.36 4.97 2.15 -1.26 -4.99 116.67 109.42 1sg3 s ASP 212 Ca -0.06 0.71 0.00 0.00 0.43 0.00 0.00 52.55 53.63 1sg3 s ASP 212 Cb 0.08 0.58 0.13 0.00 -0.30 0.00 0.00 42.92 43.42 1sg3 s ASP 212 CO 0.88 -0.56 0.20 -1.10 -0.17 0.00 0.00 175.17 174.42 1sg3 s GLN 213 N -1.08 0.66 -0.18 4.34 -0.21 -1.26 -4.73 119.66 117.20 1sg3 s GLN 213 Ca -0.10 -1.37 -0.25 0.00 0.02 0.00 0.00 55.36 53.66 1sg3 s GLN 213 Cb -0.01 -1.51 -0.22 0.00 1.00 0.00 0.00 33.01 32.27 1sg3 s GLN 213 CO 0.09 -1.17 0.46 1.25 -2.12 0.00 0.00 175.29 173.79 1sg3 h HIS 214 N 7.13 0.00 -3.88 0.91 2.76 -1.59 -3.47 115.15 117.01 1sg3 h HIS 214 Ca 0.01 0.00 -0.45 0.00 -2.20 0.00 0.00 60.37 57.74 1sg3 h HIS 214 Cb 0.97 0.00 -0.31 0.00 1.55 0.00 0.00 27.41 29.62 1sg3 h HIS 214 CO 0.43 1.26 -0.79 -0.06 -1.30 0.00 0.00 177.93 177.47 1sg3 s PHE 215 N -2.30 1.06 0.33 5.26 0.08 -0.84 -5.02 117.98 116.56 1sg3 s PHE 215 Ca -0.24 -0.26 0.00 0.00 0.12 0.00 0.00 56.93 56.55 1sg3 s PHE 215 Cb 0.02 -0.74 0.00 0.00 -0.57 0.00 0.00 43.02 41.73 1sg3 s PHE 215 CO 0.63 -0.09 0.00 0.41 -0.10 0.00 0.00 175.22 176.07 1sg3 n GLY 216 N 3.18 -4.69 3.67 4.36 0.00 -1.26 -0.86 105.19 109.60 1sg3 n GLY 216 Ca -0.17 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 1sg3 n GLY 216 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sg3 s SER 217 N -1.70 2.71 0.45 1.61 1.04 -1.24 -3.56 113.70 113.01 1sg3 s SER 217 Ca 0.00 1.32 0.26 0.00 0.48 0.00 0.00 55.95 58.02 1sg3 s SER 217 Cb 0.00 -2.00 0.68 0.00 0.10 0.00 0.00 66.02 64.80 1sg3 s SER 217 CO 0.00 -3.10 1.73 -0.37 0.98 0.00 0.00 173.24 172.48 1sg3 h VAL 218 N -1.87 0.00 0.00 5.02 -1.51 -1.93 -3.12 116.25 112.85 1sg3 h VAL 218 Ca -0.54 -0.80 0.00 0.00 -1.23 0.00 0.00 66.70 64.13 1sg3 h VAL 218 Cb 1.32 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 32.27 1sg3 h VAL 218 CO 0.56 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.00 1sg3 n ASP 219 N -3.01 0.00 0.17 4.19 5.75 -1.26 -1.87 116.55 120.52 1sg3 n ASP 219 Ca 0.03 -0.51 0.06 0.00 -0.01 0.00 0.00 54.79 54.36 1sg3 n ASP 219 Cb 0.45 -0.07 0.10 0.00 -1.03 0.00 0.00 41.12 40.57 1sg3 n ASP 219 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 1sg3 h ASN 220 N 0.00 0.00 -0.71 -1.12 -0.26 -1.83 -3.26 115.58 108.40 1sg3 h ASN 220 Ca 0.00 0.00 0.05 0.00 -0.56 0.00 0.00 56.30 55.79 1sg3 h ASN 220 Cb 0.05 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.27 1sg3 h ASN 220 CO 0.00 0.30 0.47 -0.07 -1.06 0.00 0.00 177.43 177.07 1sg3 h LEU 221 N 0.00 0.69 -3.93 1.61 3.38 -1.46 -2.95 115.31 112.65 1sg3 h LEU 221 Ca -0.00 -0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.43 1sg3 h LEU 221 Cb 1.21 -0.15 -0.29 0.00 0.09 0.00 0.00 40.66 41.51 1sg3 h LEU 221 CO 0.04 0.46 0.68 0.18 0.09 0.00 0.00 178.44 179.89 1sg3 n LEU 222 N -4.47 6.81 -4.84 1.67 4.77 -1.23 -2.02 117.00 117.69 1sg3 n LEU 222 Ca 0.10 -3.67 -0.22 0.00 -0.03 0.00 0.00 56.01 52.19 1sg3 n LEU 222 Cb 0.17 -0.86 -0.04 0.00 -2.33 0.00 0.00 43.42 40.36 1sg3 n LEU 222 CO 0.34 1.11 -0.06 -0.76 -1.33 0.00 0.00 177.39 176.70 1sg3 s LEU 223 N -3.28 3.39 0.58 2.23 1.43 -1.12 -0.92 118.68 120.99 1sg3 s LEU 223 Ca 0.56 -0.73 -0.19 0.00 -1.03 0.00 0.00 54.13 52.74 1sg3 s LEU 223 Cb 0.47 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1sg3 s LEU 223 CO 0.08 -0.53 1.17 -2.84 0.23 0.00 0.00 176.35 174.46 1sg3 s PRO 224 N -4.04 3.13 1.61 1.29 0.02 -1.26 -4.87 135.00 130.88 1sg3 s PRO 224 Ca 0.44 1.71 0.00 0.00 0.02 0.00 0.00 61.00 63.17 1sg3 s PRO 224 Cb -0.03 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.53 1sg3 s PRO 224 CO 0.26 -1.05 0.00 0.41 -0.33 0.00 0.00 177.00 176.29 1sg3 n GLY 225 N 0.30 -1.30 0.56 0.52 0.00 -1.26 -4.42 105.19 99.60 1sg3 n GLY 225 Ca 0.13 -1.12 0.07 0.00 0.00 0.00 0.00 46.02 45.09 1sg3 n GLY 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sg3 n ARG 226 N -1.64 1.14 0.00 1.61 1.74 -1.26 -4.99 116.66 113.25 1sg3 n ARG 226 Ca 0.00 -1.42 0.00 0.00 -0.77 0.00 0.00 57.85 55.66 1sg3 n ARG 226 Cb 0.04 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1sg3 n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sg3 n GLY 227 N 0.73 -2.25 0.32 -0.13 0.00 -1.26 -4.84 105.19 97.75 1sg3 n GLY 227 Ca 0.09 -1.61 -0.22 0.00 0.00 0.00 0.00 46.02 44.27 1sg3 n GLY 227 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1sg3 n HIS 228 N -0.24 0.00 -3.65 1.61 -0.00 -1.26 -5.10 115.22 106.57 1sg3 n HIS 228 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 1sg3 n HIS 228 Cb 0.00 -0.77 -0.01 0.00 -0.12 0.00 0.00 29.99 29.09 1sg3 n HIS 228 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1sg3 n ASP 229 N -3.88 -0.32 0.27 0.26 5.68 -1.26 -5.02 116.55 112.27 1sg3 n ASP 229 Ca -0.42 -1.43 0.16 0.00 -0.50 0.00 0.00 54.79 52.60 1sg3 n ASP 229 Cb 0.81 0.60 0.86 0.00 -1.14 0.00 0.00 41.12 42.25 1sg3 n ASP 229 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1sg3 h MET 230 N 0.00 0.00 0.00 0.11 2.86 -1.89 -2.89 114.93 113.12 1sg3 h MET 230 Ca -0.06 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1sg3 h MET 230 Cb 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1sg3 h MET 230 CO 0.09 0.00 -0.28 0.66 1.06 0.00 0.00 176.91 178.43 1sg3 h SER 231 N 0.00 0.00 -0.85 1.22 4.64 -1.98 -3.18 113.55 113.40 1sg3 h SER 231 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1sg3 h SER 231 Cb 0.19 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.03 1sg3 h SER 231 CO 0.00 0.28 0.68 -0.90 -0.87 0.00 0.00 176.83 176.02 1sg3 n ASP 232 N -3.55 5.96 0.00 4.97 5.68 -1.09 -4.54 116.55 123.97 1sg3 n ASP 232 Ca -0.01 -3.50 0.00 0.00 -0.50 0.00 0.00 54.79 50.78 1sg3 n ASP 232 Cb 0.43 -0.92 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 1sg3 n ASP 232 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sg3 n GLY 233 N -0.69 6.01 3.17 6.12 0.00 -1.20 -4.76 105.19 113.84 1sg3 n GLY 233 Ca 0.53 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 1sg3 n GLY 233 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1sg3 s TRP 234 N 0.10 2.48 -0.03 1.61 -0.00 -0.50 -3.59 118.94 119.01 1sg3 s TRP 234 Ca 0.00 -1.14 0.01 0.00 -0.00 0.00 0.00 56.10 54.97 1sg3 s TRP 234 Cb 0.00 -1.69 0.02 0.00 -0.00 0.00 0.00 33.47 31.80 1sg3 s TRP 234 CO 0.00 -0.50 -0.04 -2.00 -0.00 0.00 0.00 176.95 174.41 1sg3 s GLU 235 N 0.64 0.61 0.22 5.86 2.12 -0.04 -0.61 118.70 127.50 1sg3 s GLU 235 Ca -0.12 -0.10 0.08 0.00 0.36 0.00 0.00 54.97 55.19 1sg3 s GLU 235 Cb -0.16 -0.64 -0.04 0.00 0.26 0.00 0.00 34.13 33.54 1sg3 s GLU 235 CO 0.03 -0.03 0.06 0.95 -0.54 0.00 0.00 175.26 175.73 1sg3 s THR 236 N 0.60 3.92 0.99 -1.70 -4.23 0.40 -1.48 115.64 114.15 1sg3 s THR 236 Ca -0.07 -1.51 -0.12 0.00 -1.18 0.00 0.00 61.69 58.81 1sg3 s THR 236 Cb -0.11 -3.05 0.15 0.00 1.34 0.00 0.00 72.50 70.84 1sg3 s THR 236 CO -0.00 -0.24 0.89 1.17 -0.54 0.00 0.00 174.62 175.90 1sg3 n LYS 237 N -0.61 -0.93 -2.79 3.99 3.00 -1.26 -4.09 118.16 115.47 1sg3 n LYS 237 Ca -0.08 -0.22 -0.41 0.00 -0.00 0.00 0.00 58.31 57.59 1sg3 n LYS 237 Cb 0.57 -2.18 -0.03 0.00 0.00 0.00 0.00 35.03 33.38 1sg3 n LYS 237 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1sg3 s ARG 238 N -4.30 4.51 0.30 1.64 3.52 -1.26 -4.47 118.95 118.89 1sg3 s ARG 238 Ca 0.65 1.28 0.06 0.00 -0.13 0.00 0.00 55.73 57.59 1sg3 s ARG 238 Cb -0.22 -3.47 -0.02 0.00 -1.56 0.00 0.00 34.95 29.67 1sg3 s ARG 238 CO 0.62 -0.06 0.36 -1.54 -0.81 0.00 0.00 175.30 173.87 1sg3 s SER 239 N 0.98 5.83 0.00 -2.12 1.04 -1.26 -5.06 113.70 113.10 1sg3 s SER 239 Ca 0.48 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1sg3 s SER 239 Cb -0.20 -1.34 0.00 0.00 0.10 0.00 0.00 66.02 64.58 1sg3 s SER 239 CO 0.24 -0.27 0.00 0.54 0.98 0.00 0.00 173.24 174.73 1sg3 n ARG 240 N -1.46 1.99 -2.24 4.02 5.12 -1.26 -5.06 116.66 117.78 1sg3 n ARG 240 Ca -0.04 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.49 1sg3 n ARG 240 Cb 0.58 -0.88 -0.02 0.00 -1.16 0.00 0.00 32.46 30.98 1sg3 n ARG 240 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1sg3 s GLN 241 N -1.77 4.11 0.86 5.56 -0.21 -1.26 -4.99 119.66 121.96 1sg3 s GLN 241 Ca 0.00 1.94 -0.11 0.00 0.02 0.00 0.00 55.36 57.22 1sg3 s GLN 241 Cb 0.00 -2.77 0.11 0.00 1.00 0.00 0.00 33.01 31.35 1sg3 s GLN 241 CO 0.00 -0.30 1.14 -1.25 -2.12 0.00 0.00 175.29 172.76 1sg3 s PRO 242 N -2.17 1.43 0.00 2.91 0.04 -1.26 -2.95 135.00 132.99 1sg3 s PRO 242 Ca 0.55 1.51 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1sg3 s PRO 242 Cb -0.33 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1sg3 s PRO 242 CO 0.42 -2.32 0.00 0.41 0.04 0.00 0.00 177.00 175.55 1sg3 n GLY 243 N -0.05 0.03 3.76 0.56 0.00 -1.26 -4.94 105.19 103.29 1sg3 n GLY 243 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1sg3 n GLY 243 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1sg3 s HIS 244 N -1.08 2.48 0.11 1.61 5.04 -1.15 -5.03 115.29 117.26 1sg3 s HIS 244 Ca 0.00 1.51 -0.14 0.00 -1.54 0.00 0.00 55.06 54.89 1sg3 s HIS 244 Cb 0.00 -3.47 0.02 0.00 0.04 0.00 0.00 32.58 29.17 1sg3 s HIS 244 CO 0.00 -2.10 0.33 0.95 -2.34 0.00 0.00 174.74 171.58 1sg3 s THR 245 N -1.58 0.09 0.12 0.89 -4.23 -1.24 -4.40 115.64 105.28 1sg3 s THR 245 Ca 0.75 -0.75 0.10 0.00 -1.18 0.00 0.00 61.69 60.60 1sg3 s THR 245 Cb -0.30 -1.20 -0.04 0.00 1.34 0.00 0.00 72.50 72.30 1sg3 s THR 245 CO 0.34 -0.42 -0.23 -1.81 -0.54 0.00 0.00 174.62 171.95 1sg3 s ASP 246 N -2.76 2.90 0.17 3.99 1.01 -0.75 -4.97 116.67 116.27 1sg3 s ASP 246 Ca 0.03 -0.73 -0.08 0.00 0.71 0.00 0.00 52.55 52.48 1sg3 s ASP 246 Cb 0.03 -0.18 -0.01 0.00 1.01 0.00 0.00 42.92 43.76 1sg3 s ASP 246 CO -0.11 0.11 0.27 -1.66 0.21 0.00 0.00 175.17 173.99 1sg3 s TRP 247 N -1.17 0.49 -0.03 4.23 1.48 -1.26 -1.26 118.94 121.41 1sg3 s TRP 247 Ca 0.10 -0.85 -0.01 0.00 -1.06 0.00 0.00 56.10 54.29 1sg3 s TRP 247 Cb -0.10 -0.11 0.03 0.00 -1.16 0.00 0.00 33.47 32.13 1sg3 s TRP 247 CO 0.05 -0.72 0.05 0.00 -4.06 0.00 0.00 176.95 172.28 1sg3 s ALA 248 N -3.99 0.14 -0.31 2.67 0.00 -0.67 -1.26 121.76 118.33 1sg3 s ALA 248 Ca 0.20 0.27 -0.14 0.00 0.00 0.00 0.00 51.96 52.28 1sg3 s ALA 248 Cb 0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1sg3 s ALA 248 CO 0.02 -0.33 0.31 0.08 0.00 0.00 0.00 175.76 175.83 1sg3 s VAL 249 N 1.71 5.22 -0.10 0.00 1.01 0.85 -1.72 120.40 127.37 1sg3 s VAL 249 Ca -0.01 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1sg3 s VAL 249 Cb -0.12 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 1sg3 s VAL 249 CO -0.03 0.05 -0.15 -0.63 0.00 0.00 0.00 175.10 174.35 1sg3 s ILE 250 N 1.92 2.96 -0.30 2.22 1.01 0.14 -1.08 121.20 128.07 1sg3 s ILE 250 Ca 0.10 -0.72 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 1sg3 s ILE 250 Cb -0.16 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 1sg3 s ILE 250 CO 0.11 0.55 0.34 -1.58 0.00 0.00 0.00 174.94 174.35 1sg3 s GLN 251 N 0.01 3.84 0.58 2.79 0.74 -0.25 0.68 119.66 128.04 1sg3 s GLN 251 Ca -0.04 -0.19 -0.20 0.00 0.05 0.00 0.00 55.36 54.98 1sg3 s GLN 251 Cb -0.14 -3.71 -0.04 0.00 1.10 0.00 0.00 33.01 30.22 1sg3 s GLN 251 CO 0.04 -0.35 1.26 -0.51 -0.55 0.00 0.00 175.29 175.18 1sg3 s LEU 252 N 2.00 3.72 0.42 3.68 1.43 0.24 -2.10 118.68 128.07 1sg3 s LEU 252 Ca 0.12 2.52 0.29 0.00 -1.03 0.00 0.00 54.13 56.04 1sg3 s LEU 252 Cb -0.16 -4.50 1.44 0.00 0.03 0.00 0.00 46.19 43.00 1sg3 s LEU 252 CO 0.11 -1.62 1.89 1.23 0.23 0.00 0.00 176.35 178.19 1sg3 h GLY 253 N 1.05 0.00 -3.56 -3.19 0.00 -1.46 -3.43 103.07 92.48 1sg3 h GLY 253 Ca -0.51 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 1sg3 h GLY 253 CO 0.56 0.00 -0.07 0.50 0.00 0.00 0.00 176.54 177.53 1sg3 s ARG 254 N -3.64 0.98 0.58 4.80 1.81 -1.26 -4.84 118.95 117.38 1sg3 s ARG 254 Ca -0.01 -0.42 -0.17 0.00 -1.72 0.00 0.00 55.73 53.41 1sg3 s ARG 254 Cb 0.09 0.44 -0.04 0.00 -0.45 0.00 0.00 34.95 34.99 1sg3 s ARG 254 CO 0.36 -0.35 1.09 -1.21 -0.68 0.00 0.00 175.30 174.50 1sg3 s GLU 255 N -2.79 3.27 0.34 3.54 2.02 -1.26 -4.83 118.70 118.99 1sg3 s GLU 255 Ca -0.03 1.38 0.03 0.00 0.02 0.00 0.00 54.97 56.37 1sg3 s GLU 255 Cb -0.00 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 32.19 1sg3 s GLU 255 CO -0.05 -0.87 0.51 -1.54 0.02 0.00 0.00 175.26 173.33 1sg3 s SER 256 N -2.34 6.12 0.00 -0.19 1.04 0.14 -4.69 113.70 113.78 1sg3 s SER 256 Ca 0.67 0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.27 1sg3 s SER 256 Cb -0.19 -1.68 0.00 0.00 0.10 0.00 0.00 66.02 64.24 1sg3 s SER 256 CO 0.33 -0.36 0.00 -1.54 0.98 0.00 0.00 173.24 172.65 1sg3 n SER 257 N -1.72 3.28 -3.85 7.02 3.41 -1.07 -3.73 113.62 116.95 1sg3 n SER 257 Ca -0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.46 1sg3 n SER 257 Cb 0.57 0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 64.62 1sg3 n SER 257 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1sg3 s PHE 258 N -1.71 -0.04 -0.08 7.33 5.36 -1.26 -2.00 117.98 125.58 1sg3 s PHE 258 Ca 0.00 0.08 -0.01 0.00 -0.96 0.00 0.00 56.93 56.04 1sg3 s PHE 258 Cb 0.00 -0.01 0.03 0.00 -0.34 0.00 0.00 43.02 42.70 1sg3 s PHE 258 CO 0.00 -0.19 -0.03 0.42 -1.46 0.00 0.00 175.22 173.96 1sg3 s ILE 259 N -0.75 0.59 -0.27 3.12 1.01 -0.36 -1.41 121.20 123.12 1sg3 s ILE 259 Ca -0.08 -0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.41 1sg3 s ILE 259 Cb -0.05 -0.69 -0.13 0.00 0.01 0.00 0.00 42.46 41.60 1sg3 s ILE 259 CO 0.01 0.29 -0.30 1.21 0.00 0.00 0.00 174.94 176.15 1sg3 n GLU 260 N 4.99 0.59 -4.74 2.79 2.13 0.55 -2.27 120.64 124.69 1sg3 n GLU 260 Ca -0.10 0.28 -0.24 0.00 0.66 0.00 0.00 57.16 57.76 1sg3 n GLU 260 Cb 0.50 -1.52 -0.15 0.00 0.27 0.00 0.00 31.44 30.55 1sg3 n GLU 260 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1sg3 s LYS 261 N -2.50 1.32 -0.03 5.31 1.02 -1.15 0.13 119.74 123.84 1sg3 s LYS 261 Ca -0.38 -0.65 0.04 0.00 0.02 0.00 0.00 55.97 55.00 1sg3 s LYS 261 Cb 0.14 -1.30 -0.00 0.00 -0.52 0.00 0.00 37.83 36.15 1sg3 s LYS 261 CO 0.51 0.35 -0.15 0.42 -0.92 0.00 0.00 175.35 175.56 1sg3 s ILE 262 N -0.48 1.23 -0.06 2.17 1.01 -0.69 0.57 121.20 124.96 1sg3 s ILE 262 Ca 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1sg3 s ILE 262 Cb -0.07 -1.06 0.02 0.00 0.01 0.00 0.00 42.46 41.36 1sg3 s ILE 262 CO -0.00 0.36 -0.04 -0.63 0.00 0.00 0.00 174.94 174.63 1sg3 s ILE 263 N 0.04 0.56 -0.28 2.92 1.01 -0.49 -0.28 121.20 124.68 1sg3 s ILE 263 Ca -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 1sg3 s ILE 263 Cb -0.10 -0.62 0.02 0.00 0.01 0.00 0.00 42.46 41.77 1sg3 s ILE 263 CO 0.01 0.25 0.03 -0.69 0.00 0.00 0.00 174.94 174.54 1sg3 s VAL 264 N 1.24 3.51 -0.29 2.92 1.01 -0.14 0.30 120.40 128.94 1sg3 s VAL 264 Ca -0.06 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 1sg3 s VAL 264 Cb -0.14 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 1sg3 s VAL 264 CO -0.02 0.09 0.13 -0.62 0.00 0.00 0.00 175.10 174.69 1sg3 s ASP 265 N 1.42 5.48 -0.30 3.32 3.68 0.15 -0.54 116.67 129.87 1sg3 s ASP 265 Ca 0.01 -0.42 0.11 0.00 2.13 0.00 0.00 52.55 54.37 1sg3 s ASP 265 Cb -0.17 -1.99 0.73 0.00 -1.45 0.00 0.00 42.92 40.03 1sg3 s ASP 265 CO -0.00 -0.15 1.76 0.35 0.13 0.00 0.00 175.17 177.26 1sg3 n THR 266 N 4.97 2.86 -1.48 1.71 -2.24 -0.49 0.83 114.28 120.44 1sg3 n THR 266 Ca -0.14 -1.70 -0.49 0.00 -2.27 0.00 0.00 64.05 59.44 1sg3 n THR 266 Cb 0.50 -0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 68.35 1sg3 n THR 266 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sg3 n ALA 267 N -0.17 -2.08 0.00 6.98 0.00 -1.26 -0.91 120.51 123.07 1sg3 n ALA 267 Ca 0.38 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.28 1sg3 n ALA 267 Cb 1.32 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1sg3 n ALA 267 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1sg3 n HIS 268 N 0.50 0.00 -3.04 0.00 8.25 -1.26 -4.65 115.22 115.02 1sg3 n HIS 268 Ca 0.16 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.18 1sg3 n HIS 268 Cb 0.24 -0.13 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 1sg3 n HIS 268 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1sg3 s PHE 269 N -1.27 2.99 -0.18 4.41 0.40 -0.08 -4.62 117.98 119.63 1sg3 s PHE 269 Ca 0.00 -1.00 0.18 0.00 -0.60 0.00 0.00 56.93 55.51 1sg3 s PHE 269 Cb 0.00 -4.10 -0.25 0.00 0.51 0.00 0.00 43.02 39.17 1sg3 s PHE 269 CO 0.00 -1.38 0.13 0.54 0.70 0.00 0.00 175.22 175.20 1sg3 n ARG 270 N 6.52 0.69 0.00 0.44 1.74 -1.26 -2.66 116.66 122.13 1sg3 n ARG 270 Ca -0.02 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1sg3 n ARG 270 Cb 0.44 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1sg3 n ARG 270 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sg3 n GLY 271 N 1.71 0.18 0.73 -0.13 0.00 -1.26 -4.71 105.19 101.70 1sg3 n GLY 271 Ca -0.30 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.77 1sg3 n GLY 271 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sg3 n ASN 272 N -0.65 1.22 -4.78 1.61 6.94 -1.26 -5.07 115.26 113.28 1sg3 n ASN 272 Ca 0.00 -2.72 -0.33 0.00 -0.02 0.00 0.00 54.58 51.51 1sg3 n ASN 272 Cb 0.00 -0.36 0.03 0.00 -2.36 0.00 0.00 39.78 37.09 1sg3 n ASN 272 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1sg3 s PHE 273 N -1.43 2.69 0.83 -2.53 -0.12 -1.26 -2.02 117.98 114.14 1sg3 s PHE 273 Ca 0.26 1.54 -0.11 0.00 -0.05 0.00 0.00 56.93 58.57 1sg3 s PHE 273 Cb 0.27 -3.16 0.10 0.00 -0.63 0.00 0.00 43.02 39.59 1sg3 s PHE 273 CO -0.06 -1.56 1.14 -1.25 -0.05 0.00 0.00 175.22 173.44 1sg3 s PRO 274 N -3.95 1.61 -0.14 1.99 0.04 -1.25 -4.75 135.00 128.55 1sg3 s PRO 274 Ca 0.67 1.48 -0.19 0.00 0.04 0.00 0.00 61.00 63.00 1sg3 s PRO 274 Cb -0.20 -1.80 -0.17 0.00 0.04 0.00 0.00 34.50 32.37 1sg3 s PRO 274 CO 0.38 -2.18 0.42 0.37 0.04 0.00 0.00 177.00 176.03 1sg3 h GLN 275 N -1.33 0.00 -4.88 4.56 4.15 -1.36 -3.39 115.11 112.86 1sg3 h GLN 275 Ca -0.44 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 58.66 1sg3 h GLN 275 Cb 1.26 0.00 -0.20 0.00 0.21 0.00 0.00 27.48 28.75 1sg3 h GLN 275 CO 0.46 0.68 -0.75 -0.06 -1.93 0.00 0.00 178.83 177.23 1sg3 s PHE 276 N -2.08 0.91 0.06 3.99 0.40 -0.41 -0.52 117.98 120.34 1sg3 s PHE 276 Ca -0.16 -0.53 0.03 0.00 -0.60 0.00 0.00 56.93 55.67 1sg3 s PHE 276 Cb -0.00 -0.52 -0.03 0.00 0.51 0.00 0.00 43.02 42.97 1sg3 s PHE 276 CO 0.47 -0.03 -0.08 0.96 0.70 0.00 0.00 175.22 177.24 1sg3 s ILE 277 N -1.63 0.67 0.06 0.64 -5.25 0.10 0.65 121.20 116.44 1sg3 s ILE 277 Ca -0.04 -1.35 0.01 0.00 -0.99 0.00 0.00 60.65 58.27 1sg3 s ILE 277 Cb -0.08 -0.97 -0.04 0.00 2.95 0.00 0.00 42.46 44.32 1sg3 s ILE 277 CO 0.01 -0.50 -0.05 0.42 -1.79 0.00 0.00 174.94 173.03 1sg3 s THR 278 N -1.99 0.43 -0.09 8.37 -4.23 0.42 -1.41 115.64 117.13 1sg3 s THR 278 Ca -0.03 -1.67 -0.01 0.00 -1.18 0.00 0.00 61.69 58.80 1sg3 s THR 278 Cb -0.06 -1.33 0.03 0.00 1.34 0.00 0.00 72.50 72.49 1sg3 s THR 278 CO -0.01 -0.82 0.00 -0.69 -0.54 0.00 0.00 174.62 172.57 1sg3 s VAL 279 N -3.22 0.42 0.09 2.29 1.01 -0.61 -0.54 120.40 119.84 1sg3 s VAL 279 Ca 0.04 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.11 1sg3 s VAL 279 Cb 0.03 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1sg3 s VAL 279 CO -0.06 0.21 -0.07 -1.61 0.00 0.00 0.00 175.10 173.57 1sg3 s GLU 280 N 1.95 2.27 0.19 2.72 8.01 -0.48 0.04 118.70 133.41 1sg3 s GLU 280 Ca 0.04 -0.95 0.10 0.00 0.01 0.00 0.00 54.97 54.18 1sg3 s GLU 280 Cb -0.13 -2.38 -0.04 0.00 -4.31 0.00 0.00 34.13 27.27 1sg3 s GLU 280 CO -0.06 0.53 -0.15 0.20 0.01 0.00 0.00 175.26 175.79 1sg3 s GLY 281 N -2.15 1.73 0.15 -1.39 0.00 0.57 -0.95 107.32 105.28 1sg3 s GLY 281 Ca 0.22 -1.56 -0.10 0.00 0.00 0.00 0.00 44.72 43.28 1sg3 s GLY 281 CO 0.14 -1.59 0.29 0.00 0.00 0.00 0.00 173.10 171.94 1sg3 s LEU 283 N -2.93 1.81 0.32 0.00 2.96 -1.26 0.24 118.68 119.82 1sg3 s LEU 283 Ca 0.13 -0.77 0.04 0.00 -0.22 0.00 0.00 54.13 53.31 1sg3 s LEU 283 Cb 0.03 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.71 1sg3 s LEU 283 CO -0.03 -0.19 0.17 -0.54 -1.32 0.00 0.00 176.35 174.44 1sg3 s LYS 284 N 1.58 1.64 0.13 1.98 1.02 -1.26 -4.96 119.74 119.88 1sg3 s LYS 284 Ca -0.00 -1.94 0.00 0.00 0.02 0.00 0.00 55.97 54.04 1sg3 s LYS 284 Cb -0.16 -0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.07 1sg3 s LYS 284 CO -0.08 -0.48 0.00 -2.37 -0.92 0.00 0.00 175.35 171.50 1sg3 n THR 296 N -0.61 -7.85 -4.85 2.17 5.66 -1.26 -4.99 114.28 102.55 1sg3 n THR 296 Ca 0.01 1.89 -0.26 0.00 -3.05 0.00 0.00 64.05 62.64 1sg3 n THR 296 Cb 0.65 -3.77 -0.15 0.00 -1.55 0.00 0.00 70.33 65.51 1sg3 n THR 296 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1sg3 s TRP 297 N -0.50 1.78 -0.06 1.09 0.52 -1.26 -4.41 118.94 116.09 1sg3 s TRP 297 Ca 0.00 -0.35 0.05 0.00 0.02 0.00 0.00 56.10 55.82 1sg3 s TRP 297 Cb 0.00 -1.11 -0.01 0.00 -1.15 0.00 0.00 33.47 31.20 1sg3 s TRP 297 CO 0.00 0.01 -0.23 0.08 0.02 0.00 0.00 176.95 176.83 1sg3 s VAL 298 N -0.58 2.23 0.01 4.03 1.01 0.28 -4.88 120.40 122.50 1sg3 s VAL 298 Ca 0.07 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 1sg3 s VAL 298 Cb -0.08 -1.83 -0.06 0.00 0.00 0.00 0.00 36.38 34.41 1sg3 s VAL 298 CO 0.00 0.57 1.50 -0.70 0.00 0.00 0.00 175.10 176.47 1sg3 s GLU 299 N -0.15 4.25 -0.15 2.72 2.12 -1.26 0.21 118.70 126.43 1sg3 s GLU 299 Ca -0.03 2.09 0.06 0.00 0.36 0.00 0.00 54.97 57.45 1sg3 s GLU 299 Cb -0.14 -3.61 -0.13 0.00 0.26 0.00 0.00 34.13 30.51 1sg3 s GLU 299 CO 0.04 -0.65 -0.06 1.28 -0.54 0.00 0.00 175.26 175.33 1sg3 n LEU 300 N 5.59 1.68 -3.83 2.70 4.77 0.11 -4.85 117.00 123.16 1sg3 n LEU 300 Ca 0.14 -0.05 -0.24 0.00 -0.03 0.00 0.00 56.01 55.83 1sg3 n LEU 300 Cb 0.43 -0.19 -0.17 0.00 -2.33 0.00 0.00 43.42 41.15 1sg3 n LEU 300 CO 0.60 0.58 -0.41 -0.69 -1.33 0.00 0.00 177.39 176.15 1sg3 s VAL 301 N -2.33 0.65 0.70 4.08 1.01 -0.14 -4.96 120.40 119.41 1sg3 s VAL 301 Ca -0.16 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 1sg3 s VAL 301 Cb 0.05 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.69 1sg3 s VAL 301 CO 0.45 0.30 1.06 -0.83 0.00 0.00 0.00 175.10 176.09 1sg3 s GLY 302 N 1.82 1.68 -0.40 4.51 0.00 -1.26 -1.58 107.32 112.09 1sg3 s GLY 302 Ca 0.04 0.10 -0.44 0.00 0.00 0.00 0.00 44.72 44.43 1sg3 s GLY 302 CO -0.06 0.41 1.66 0.28 0.00 0.00 0.00 173.10 175.40 1sg3 n LYS 303 N -3.13 0.52 -4.40 2.90 4.01 -1.26 -4.69 118.16 112.13 1sg3 n LYS 303 Ca 0.08 0.19 -0.19 0.00 -0.51 0.00 0.00 58.31 57.88 1sg3 n LYS 303 Cb 0.53 -1.77 -0.15 0.00 -0.51 0.00 0.00 35.03 33.13 1sg3 n LYS 303 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1sg3 s SER 304 N 3.24 1.12 -0.10 4.39 0.01 -0.50 -4.94 113.70 116.92 1sg3 s SER 304 Ca 1.02 -0.17 -0.30 0.00 1.31 0.00 0.00 55.95 57.81 1sg3 s SER 304 Cb -1.31 -0.13 -0.02 0.00 0.21 0.00 0.00 66.02 64.77 1sg3 s SER 304 CO 0.75 0.11 1.14 -0.75 0.41 0.00 0.00 173.24 174.90 1sg3 s LYS 305 N -0.21 4.35 0.28 12.44 2.20 -1.26 -0.72 119.74 136.83 1sg3 s LYS 305 Ca 0.03 1.56 0.01 0.00 -0.36 0.00 0.00 55.97 57.22 1sg3 s LYS 305 Cb -0.04 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 1sg3 s LYS 305 CO -0.00 -0.45 0.47 0.95 -0.36 0.00 0.00 175.35 175.95 1sg3 s THR 306 N 2.36 5.16 0.52 3.43 -4.23 0.32 -4.95 115.64 118.25 1sg3 s THR 306 Ca 0.53 -0.55 0.02 0.00 -1.18 0.00 0.00 61.69 60.51 1sg3 s THR 306 Cb -0.22 -3.83 -0.00 0.00 1.34 0.00 0.00 72.50 69.80 1sg3 s THR 306 CO 0.19 -0.40 0.09 -0.83 -0.54 0.00 0.00 174.62 173.12 1sg3 s GLY 307 N -3.78 2.90 0.08 3.99 0.00 -1.26 -4.80 107.32 104.45 1sg3 s GLY 307 Ca 0.38 -0.55 -0.14 0.00 0.00 0.00 0.00 44.72 44.41 1sg3 s GLY 307 CO 0.32 -2.15 0.49 2.56 0.00 0.00 0.00 173.10 174.32 1sg3 s PRO 308 N -3.96 3.95 -1.54 2.90 0.04 -1.26 -4.43 135.00 130.69 1sg3 s PRO 308 Ca 0.11 0.44 -0.08 0.00 0.04 0.00 0.00 61.00 61.51 1sg3 s PRO 308 Cb 0.01 -3.06 0.07 0.00 0.04 0.00 0.00 34.50 31.55 1sg3 s PRO 308 CO 0.07 0.57 0.56 -3.47 0.04 0.00 0.00 177.00 174.77 1sg3 n ASP 309 N 1.21 -1.60 -4.08 6.66 2.03 -0.98 -4.94 116.55 114.86 1sg3 n ASP 309 Ca -0.09 -1.02 -0.11 0.00 0.52 0.00 0.00 54.79 54.09 1sg3 n ASP 309 Cb 0.52 -2.86 -0.11 0.00 -0.72 0.00 0.00 41.12 37.95 1sg3 n ASP 309 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1sg3 s LYS 310 N -6.77 0.58 -0.20 -0.67 2.20 -1.26 -4.68 119.74 108.94 1sg3 s LYS 310 Ca 0.33 -0.94 -0.13 0.00 -0.36 0.00 0.00 55.97 54.87 1sg3 s LYS 310 Cb -0.18 -0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 35.95 1sg3 s LYS 310 CO 0.91 -0.00 0.28 -1.21 -0.36 0.00 0.00 175.35 174.96 1sg3 s GLU 311 N -2.42 4.16 -0.38 4.03 2.02 -1.26 -1.39 118.70 123.46 1sg3 s GLU 311 Ca -0.03 -0.01 -0.09 0.00 0.02 0.00 0.00 54.97 54.85 1sg3 s GLU 311 Cb -0.04 -3.50 0.04 0.00 0.10 0.00 0.00 34.13 30.73 1sg3 s GLU 311 CO -0.02 0.08 0.20 -1.01 0.02 0.00 0.00 175.26 174.53 1sg3 s HIS 312 N 0.96 3.27 -0.32 1.61 3.76 0.30 -4.97 115.29 119.90 1sg3 s HIS 312 Ca 0.14 -1.21 -0.14 0.00 -0.15 0.00 0.00 55.06 53.70 1sg3 s HIS 312 Cb -0.14 -2.52 -0.02 0.00 1.11 0.00 0.00 32.58 31.01 1sg3 s HIS 312 CO 0.05 -0.72 0.31 0.08 -0.85 0.00 0.00 174.74 173.61 1sg3 s VAL 313 N 1.49 5.22 -0.26 -0.90 1.01 -1.26 -0.97 120.40 124.72 1sg3 s VAL 313 Ca 0.01 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 1sg3 s VAL 313 Cb -0.20 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.48 1sg3 s VAL 313 CO 0.05 0.03 -0.03 -0.31 0.00 0.00 0.00 175.10 174.83 1sg3 s TYR 314 N 1.93 3.12 0.16 5.22 1.51 0.61 -4.99 117.35 124.91 1sg3 s TYR 314 Ca 0.10 -1.57 -0.30 0.00 -1.01 0.00 0.00 57.07 54.29 1sg3 s TYR 314 Cb -0.16 -2.09 -0.07 0.00 -0.11 0.00 0.00 41.96 39.53 1sg3 s TYR 314 CO 0.11 -0.73 1.05 -1.21 -1.11 0.00 0.00 175.55 173.66 1sg3 s GLU 315 N 1.33 4.64 -0.08 -0.62 0.41 -1.26 -1.70 118.70 121.41 1sg3 s GLU 315 Ca -0.01 1.63 -0.01 0.00 -0.41 0.00 0.00 54.97 56.17 1sg3 s GLU 315 Cb -0.17 -3.31 -0.05 0.00 -1.78 0.00 0.00 34.13 28.82 1sg3 s GLU 315 CO -0.03 0.13 -0.08 -0.89 -0.49 0.00 0.00 175.26 173.90 1sg3 n ILE 316 N 2.47 0.47 -1.37 -1.63 2.08 0.12 -4.99 119.36 116.51 1sg3 n ILE 316 Ca 0.02 -0.16 -0.06 0.00 0.56 0.00 0.00 62.75 63.11 1sg3 n ILE 316 Cb 0.47 -1.01 -0.02 0.00 -0.75 0.00 0.00 39.64 38.33 1sg3 n ILE 316 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1sg3 n ARG 317 N -2.91 -1.36 -4.27 0.38 5.12 -0.96 -4.89 116.66 107.78 1sg3 n ARG 317 Ca -0.15 0.34 -0.24 0.00 -1.93 0.00 0.00 57.85 55.87 1sg3 n ARG 317 Cb 0.64 -4.52 -0.08 0.00 -1.16 0.00 0.00 32.46 27.35 1sg3 n ARG 317 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1sg3 s LYS 318 N -2.89 2.15 -0.13 5.56 1.02 -1.16 -4.98 119.74 119.31 1sg3 s LYS 318 Ca 0.00 -1.75 0.01 0.00 0.02 0.00 0.00 55.97 54.25 1sg3 s LYS 318 Cb 0.00 -1.97 -0.01 0.00 -0.52 0.00 0.00 37.83 35.33 1sg3 s LYS 318 CO 0.00 0.07 -0.16 -1.54 -0.92 0.00 0.00 175.35 172.81 1sg3 s SER 319 N -3.77 3.73 -0.02 2.83 1.04 -1.26 -1.23 113.70 115.01 1sg3 s SER 319 Ca 0.36 -0.42 -0.12 0.00 0.48 0.00 0.00 55.95 56.25 1sg3 s SER 319 Cb 0.01 -1.56 0.02 0.00 0.10 0.00 0.00 66.02 64.58 1sg3 s SER 319 CO 0.20 0.13 0.26 -0.63 0.98 0.00 0.00 173.24 174.19 1sg3 s ILE 320 N 0.53 0.06 -1.08 -1.02 -1.09 -0.85 -4.94 121.20 112.81 1sg3 s ILE 320 Ca -0.10 -0.48 -0.04 0.00 -2.23 0.00 0.00 60.65 57.80 1sg3 s ILE 320 Cb -0.16 -0.54 0.31 0.00 -1.58 0.00 0.00 42.46 40.49 1sg3 s ILE 320 CO 0.04 -0.26 1.44 0.54 -1.23 0.00 0.00 174.94 175.47 1sg3 n ARG 321 N 1.52 4.37 -3.91 2.79 1.74 -1.25 -3.04 116.66 118.88 1sg3 n ARG 321 Ca -0.21 -4.55 -0.32 0.00 -0.77 0.00 0.00 57.85 52.00 1sg3 n ARG 321 Cb 0.56 -2.51 -0.04 0.00 -1.02 0.00 0.00 32.46 29.45 1sg3 n ARG 321 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1sg3 s VAL 322 N -2.67 5.40 -0.02 1.55 1.01 -1.24 -4.50 120.40 119.93 1sg3 s VAL 322 Ca 0.31 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1sg3 s VAL 322 Cb 0.04 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1sg3 s VAL 322 CO 0.09 0.21 -0.02 -1.54 0.00 0.00 0.00 175.10 173.84 1sg3 n SER 323 N 0.54 3.63 -4.39 3.32 3.41 0.14 0.24 113.62 120.50 1sg3 n SER 323 Ca -0.07 -0.01 -0.33 0.00 -0.26 0.00 0.00 58.87 58.20 1sg3 n SER 323 Cb 0.52 -0.04 -0.14 0.00 -0.26 0.00 0.00 64.21 64.29 1sg3 n SER 323 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1sg3 s HIS 324 N -2.05 2.80 0.21 7.33 3.76 -0.97 -0.59 115.29 125.79 1sg3 s HIS 324 Ca -0.03 -0.58 0.07 0.00 -0.15 0.00 0.00 55.06 54.37 1sg3 s HIS 324 Cb 0.01 -1.82 -0.04 0.00 1.11 0.00 0.00 32.58 31.84 1sg3 s HIS 324 CO 0.05 -0.16 0.13 0.08 -0.85 0.00 0.00 174.74 174.00 1sg3 s VAL 325 N 0.21 4.27 -0.14 -0.90 1.01 0.21 -1.36 120.40 123.70 1sg3 s VAL 325 Ca -0.08 -1.35 -0.04 0.00 0.00 0.00 0.00 61.98 60.52 1sg3 s VAL 325 Cb -0.15 -3.24 0.05 0.00 0.00 0.00 0.00 36.38 33.04 1sg3 s VAL 325 CO 0.05 -0.24 0.06 -0.75 0.00 0.00 0.00 175.10 174.22 1sg3 s LYS 326 N -3.46 0.22 -0.04 2.72 2.20 -0.12 0.26 119.74 121.51 1sg3 s LYS 326 Ca 0.31 -0.05 -0.21 0.00 -0.36 0.00 0.00 55.97 55.67 1sg3 s LYS 326 Cb -0.09 -1.56 -0.05 0.00 -1.51 0.00 0.00 37.83 34.63 1sg3 s LYS 326 CO 0.23 -0.56 0.59 -1.17 -0.36 0.00 0.00 175.35 174.08 1sg3 s LEU 327 N 2.07 4.37 -0.16 5.43 2.96 -0.70 -1.38 118.68 131.26 1sg3 s LEU 327 Ca 0.02 1.10 0.00 0.00 -0.22 0.00 0.00 54.13 55.03 1sg3 s LEU 327 Cb -0.15 -2.91 0.03 0.00 0.50 0.00 0.00 46.19 43.66 1sg3 s LEU 327 CO -0.07 0.04 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.00 1sg3 s THR 328 N 0.18 1.42 -0.13 3.68 2.01 0.30 -1.67 115.64 121.42 1sg3 s THR 328 Ca 0.31 -0.71 -0.05 0.00 0.31 0.00 0.00 61.69 61.56 1sg3 s THR 328 Cb -0.17 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 1sg3 s THR 328 CO 0.16 0.28 0.06 0.27 -0.69 0.00 0.00 174.62 174.70 1sg3 s ILE 329 N 1.52 4.78 -0.05 1.82 -4.36 -0.39 -0.44 121.20 124.08 1sg3 s ILE 329 Ca 0.02 -0.06 0.04 0.00 -0.26 0.00 0.00 60.65 60.39 1sg3 s ILE 329 Cb -0.14 -3.08 -0.00 0.00 1.25 0.00 0.00 42.46 40.49 1sg3 s ILE 329 CO -0.09 0.56 -0.16 -0.51 0.24 0.00 0.00 174.94 174.98 1sg3 s ILE 330 N -0.46 1.36 -1.02 8.37 2.07 0.21 -1.81 121.20 129.92 1sg3 s ILE 330 Ca 0.10 -0.66 0.25 0.00 -1.41 0.00 0.00 60.65 58.93 1sg3 s ILE 330 Cb -0.12 -1.18 0.03 0.00 0.13 0.00 0.00 42.46 41.32 1sg3 s ILE 330 CO 0.02 0.40 1.45 -0.81 -1.91 0.00 0.00 174.94 174.08 1sg3 n PRO 331 N 3.27 0.02 -3.17 3.50 -0.04 -1.26 -1.22 135.00 136.10 1sg3 n PRO 331 Ca -0.19 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1sg3 n PRO 331 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1sg3 n PRO 331 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1sg3 n ASP 332 N -1.48 0.00 0.00 3.54 3.85 -1.25 -3.71 116.55 117.50 1sg3 n ASP 332 Ca 0.06 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.14 1sg3 n ASP 332 Cb 0.34 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.11 1sg3 n ASP 332 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1sg3 n GLY 333 N -0.05 0.64 3.17 6.12 0.00 -1.26 -4.13 105.19 109.69 1sg3 n GLY 333 Ca 0.00 -2.02 -0.15 0.00 0.00 0.00 0.00 46.02 43.86 1sg3 n GLY 333 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sg3 s GLY 334 N 0.00 0.85 -0.00 -0.02 0.00 -0.86 -0.46 107.32 106.83 1sg3 s GLY 334 Ca 0.00 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 43.55 1sg3 s GLY 334 CO 0.00 -1.23 0.01 0.14 0.00 0.00 0.00 173.10 172.02 1sg3 s VAL 335 N -2.29 0.02 -0.17 1.40 1.01 0.22 -3.86 120.40 116.72 1sg3 s VAL 335 Ca 0.04 -0.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.69 1sg3 s VAL 335 Cb -0.04 -0.07 -0.18 0.00 0.00 0.00 0.00 36.38 36.10 1sg3 s VAL 335 CO 0.00 -0.07 0.34 0.50 0.00 0.00 0.00 175.10 175.87 1sg3 h LYS 336 N 5.90 0.00 -3.86 2.72 1.63 0.16 -1.33 116.57 121.79 1sg3 h LYS 336 Ca -0.25 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.44 1sg3 h LYS 336 Cb 1.21 0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 32.68 1sg3 h LYS 336 CO 0.49 0.78 -0.48 1.03 -3.45 0.00 0.00 179.45 177.82 1sg3 s ARG 337 N -2.21 0.71 -0.09 1.90 1.81 -0.48 -3.74 118.95 116.85 1sg3 s ARG 337 Ca -0.21 -0.91 -0.02 0.00 -1.72 0.00 0.00 55.73 52.87 1sg3 s ARG 337 Cb 0.02 0.28 0.03 0.00 -0.45 0.00 0.00 34.95 34.83 1sg3 s ARG 337 CO 0.52 -0.20 0.01 -1.50 -0.68 0.00 0.00 175.30 173.45 1sg3 s ILE 338 N -3.38 0.39 0.18 1.52 1.10 -0.86 0.34 121.20 120.50 1sg3 s ILE 338 Ca 0.01 0.04 0.07 0.00 -0.51 0.00 0.00 60.65 60.27 1sg3 s ILE 338 Cb 0.03 -0.59 -0.04 0.00 0.15 0.00 0.00 42.46 42.01 1sg3 s ILE 338 CO -0.08 0.21 0.03 -0.13 -2.11 0.00 0.00 174.94 172.85 1sg3 s ARG 339 N 1.96 2.50 -0.34 3.50 1.81 0.15 -4.71 118.95 123.82 1sg3 s ARG 339 Ca 0.04 -1.08 0.01 0.00 -1.72 0.00 0.00 55.73 52.99 1sg3 s ARG 339 Cb -0.13 -2.40 0.15 0.00 -0.45 0.00 0.00 34.95 32.11 1sg3 s ARG 339 CO -0.06 0.45 0.32 0.08 -0.68 0.00 0.00 175.30 175.42 1sg3 s VAL 340 N -1.77 -0.28 -0.19 3.52 1.01 -1.26 -1.40 120.40 120.03 1sg3 s VAL 340 Ca 0.28 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 1sg3 s VAL 340 Cb -0.09 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 1sg3 s VAL 340 CO 0.20 -0.61 0.79 0.26 0.00 0.00 0.00 175.10 175.73 1sg3 s TRP 341 N 1.68 3.39 0.00 5.22 0.52 0.19 0.11 118.94 130.05 1sg3 s TRP 341 Ca 0.15 1.16 0.00 0.00 0.02 0.00 0.00 56.10 57.42 1sg3 s TRP 341 Cb -0.16 -2.97 0.00 0.00 -1.15 0.00 0.00 33.47 29.19 1sg3 s TRP 341 CO -0.13 -0.26 0.00 0.41 0.02 0.00 0.00 176.95 176.99 1sg3 n GLY 342 N 3.60 4.16 3.34 0.98 0.00 -1.07 -0.33 105.19 115.86 1sg3 n GLY 342 Ca 0.03 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 1sg3 n GLY 342 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sg3 s TYR 343 N -0.68 1.69 0.00 1.61 1.51 -0.50 -2.93 117.35 118.05 1sg3 s TYR 343 Ca 0.00 -1.51 0.00 0.00 -1.01 0.00 0.00 57.07 54.55 1sg3 s TYR 343 Cb 0.00 -0.83 0.00 0.00 -0.11 0.00 0.00 41.96 41.02 1sg3 s TYR 343 CO 0.00 -0.67 0.00 1.58 -1.11 0.00 0.00 175.55 175.35