#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfx s VAL 17 N 0.00 4.94 -0.49 1.39 -7.23 0.86 -3.85 120.40 116.01 1pfx s VAL 17 Ca 0.00 1.57 0.00 0.00 -1.81 0.00 0.00 61.98 61.74 1pfx s VAL 17 Cb 0.00 -4.11 0.00 0.00 0.56 0.00 0.00 36.38 32.83 1pfx s VAL 17 CO 0.00 0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 1pfx n GLY 18 N 3.36 0.72 0.00 2.32 0.00 -1.24 -1.22 105.19 109.13 1pfx n GLY 18 Ca 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1pfx n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pfx n GLY 19 N -1.93 0.95 3.11 -0.02 0.00 -1.25 -4.82 105.19 101.22 1pfx n GLY 19 Ca -0.05 -1.71 -0.07 0.00 0.00 0.00 0.00 46.02 44.19 1pfx n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pfx s GLU 20 N 1.49 0.66 0.19 1.61 2.12 -0.51 -4.98 118.70 119.29 1pfx s GLU 20 Ca 0.00 -1.21 -0.30 0.00 0.36 0.00 0.00 54.97 53.82 1pfx s GLU 20 Cb 0.00 0.23 -0.08 0.00 0.26 0.00 0.00 34.13 34.54 1pfx s GLU 20 CO 0.00 -0.14 1.12 -0.80 -0.54 0.00 0.00 175.26 174.90 1pfx s ASN 21 N -2.93 7.23 0.33 -1.70 -0.87 -1.26 -0.88 114.94 114.87 1pfx s ASN 21 Ca 0.08 2.14 -0.10 0.00 -1.57 0.00 0.00 52.86 53.41 1pfx s ASN 21 Cb 0.08 -2.61 -0.07 0.00 -0.02 0.00 0.00 41.25 38.63 1pfx s ASN 21 CO -0.09 -0.24 0.67 0.00 -2.57 0.00 0.00 177.10 174.87 1pfx s ALA 22 N -0.28 3.45 0.11 0.60 0.00 0.29 -4.83 121.76 121.11 1pfx s ALA 22 Ca 0.50 -0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.94 1pfx s ALA 22 Cb -0.30 -2.56 -0.07 0.00 0.00 0.00 0.00 23.12 20.18 1pfx s ALA 22 CO 0.36 0.19 0.76 0.15 0.00 0.00 0.00 175.76 177.23 1pfx s LYS 23 N -3.47 4.52 0.03 0.00 -0.14 -1.26 -4.87 119.74 114.56 1pfx s LYS 23 Ca 0.49 1.11 -0.34 0.00 -1.36 0.00 0.00 55.97 55.87 1pfx s LYS 23 Cb -0.11 -3.30 -0.13 0.00 -1.68 0.00 0.00 37.83 32.62 1pfx s LYS 23 CO 0.27 0.46 1.73 -0.35 -0.76 0.00 0.00 175.35 176.70 1pfx n PRO 24 N 2.08 2.15 -0.01 -1.68 -0.04 -1.26 -0.85 135.00 135.39 1pfx n PRO 24 Ca -0.05 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 1pfx n PRO 24 Cb 0.49 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1pfx n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pfx n GLY 25 N 3.90 0.38 0.26 0.55 0.00 -1.26 -4.92 105.19 104.10 1pfx n GLY 25 Ca 0.20 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.38 1pfx n GLY 25 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1pfx h GLN 26 N 3.80 0.00 -2.43 1.61 4.15 -1.36 -3.37 115.11 117.52 1pfx h GLN 26 Ca 0.00 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.83 1pfx h GLN 26 Cb 0.00 0.00 -0.39 0.00 0.21 0.00 0.00 27.48 27.30 1pfx h GLN 26 CO 0.00 0.00 -0.89 1.19 -1.93 0.00 0.00 178.83 177.20 1pfx n PHE 27 N -3.06 0.46 0.16 3.99 3.72 -1.26 -4.98 117.46 116.49 1pfx n PHE 27 Ca 0.01 -3.64 0.01 0.00 -0.05 0.00 0.00 57.45 53.78 1pfx n PHE 27 Cb 0.34 -0.12 0.08 0.00 -0.94 0.00 0.00 39.48 38.85 1pfx n PHE 27 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1pfx n PRO 28 N 2.19 0.08 -0.00 -1.08 -0.02 -1.26 -2.04 135.00 132.86 1pfx n PRO 28 Ca 0.26 0.07 0.01 0.00 -2.02 0.00 0.00 63.50 61.81 1pfx n PRO 28 Cb 0.46 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.43 1pfx n PRO 28 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1pfx n TRP 29 N -1.08 0.00 -1.77 6.00 2.14 -1.15 0.11 117.44 121.70 1pfx n TRP 29 Ca 0.02 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.16 1pfx n TRP 29 Cb 0.01 -0.02 -0.03 0.00 -0.81 0.00 0.00 31.31 30.47 1pfx n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1pfx s GLN 30 N -1.72 3.85 0.05 -2.67 2.00 -0.87 -2.04 119.66 118.26 1pfx s GLN 30 Ca -0.00 2.27 0.09 0.00 -2.00 0.00 0.00 55.36 55.72 1pfx s GLN 30 Cb 0.01 -4.17 -0.03 0.00 0.80 0.00 0.00 33.01 29.61 1pfx s GLN 30 CO 0.04 -1.27 -0.24 0.08 -0.50 0.00 0.00 175.29 173.40 1pfx s VAL 31 N 5.46 2.36 -0.17 1.34 1.01 -0.52 -4.45 120.40 125.43 1pfx s VAL 31 Ca 0.87 -1.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 1pfx s VAL 31 Cb -0.36 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1pfx s VAL 31 CO 0.37 0.33 0.15 -0.22 0.00 0.00 0.00 175.10 175.72 1pfx s LEU 32 N -1.39 4.28 -0.35 3.92 2.96 -1.23 -1.74 118.68 125.11 1pfx s LEU 32 Ca 0.13 0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 54.30 1pfx s LEU 32 Cb -0.10 -2.11 0.04 0.00 0.50 0.00 0.00 46.19 44.51 1pfx s LEU 32 CO 0.04 0.25 0.14 -0.22 -1.32 0.00 0.00 176.35 175.24 1pfx s LEU 33 N -0.11 4.48 -0.13 -0.68 2.96 0.39 0.38 118.68 125.97 1pfx s LEU 33 Ca 0.11 -1.10 -0.08 0.00 -0.22 0.00 0.00 54.13 52.85 1pfx s LEU 33 Cb -0.12 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1pfx s LEU 33 CO 0.01 -0.35 0.15 0.20 -1.32 0.00 0.00 176.35 175.03 1pfx s ASN 34 N 1.47 6.38 0.00 3.68 0.01 -0.61 -2.87 114.94 123.00 1pfx s ASN 34 Ca -0.00 0.46 0.00 0.00 -0.71 0.00 0.00 52.86 52.60 1pfx s ASN 34 Cb -0.19 -2.08 0.00 0.00 0.41 0.00 0.00 41.25 39.39 1pfx s ASN 34 CO 0.04 0.37 0.00 0.61 -1.51 0.00 0.00 177.10 176.62 1pfx n GLY 35 N 2.19 3.70 3.60 0.66 0.00 -1.26 -0.60 105.19 113.47 1pfx n GLY 35 Ca -0.19 -0.33 -0.45 0.00 0.00 0.00 0.00 46.02 45.05 1pfx n GLY 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pfx n LYS 36 N 0.00 2.00 0.00 1.61 4.81 -1.26 -0.45 118.16 124.86 1pfx n LYS 36 Ca 0.00 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1pfx n LYS 36 Cb 0.00 -2.94 0.00 0.00 0.02 0.00 0.00 35.03 32.11 1pfx n LYS 36 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1pfx n ILE 38 N 6.77 0.00 -0.47 3.15 0.00 -1.26 -4.87 119.36 122.69 1pfx n ILE 38 Ca 0.29 0.00 0.06 0.00 0.00 0.00 0.00 62.75 63.10 1pfx n ILE 38 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 39.64 39.99 1pfx n ILE 38 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1pfx n ASP 39 N 0.00 -2.80 -2.91 9.51 8.00 0.40 -4.86 116.55 123.88 1pfx n ASP 39 Ca 0.00 0.29 -0.16 0.00 0.71 0.00 0.00 54.79 55.63 1pfx n ASP 39 Cb 0.00 -1.48 -0.04 0.00 -0.02 0.00 0.00 41.12 39.58 1pfx n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pfx n ALA 40 N -2.40 -0.78 0.62 2.24 0.00 -1.16 -4.67 120.51 114.37 1pfx n ALA 40 Ca -0.01 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.43 1pfx n ALA 40 Cb 0.22 -0.83 0.05 0.00 0.00 0.00 0.00 19.45 18.89 1pfx n ALA 40 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1pfx n PHE 41 N -2.13 0.27 -3.65 0.00 -1.74 -1.14 -4.83 117.46 104.24 1pfx n PHE 41 Ca -0.01 0.08 -0.08 0.00 -0.56 0.00 0.00 57.45 56.88 1pfx n PHE 41 Cb 0.22 -0.43 -0.02 0.00 1.52 0.00 0.00 39.48 40.77 1pfx n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1pfx n GLY 43 N -0.41 3.63 3.88 0.00 0.00 -0.05 -0.46 105.19 111.78 1pfx n GLY 43 Ca -0.09 -2.25 -0.03 0.00 0.00 0.00 0.00 46.02 43.65 1pfx n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pfx s GLY 44 N -2.09 0.10 -0.06 -0.02 0.00 -0.71 -3.80 107.32 100.74 1pfx s GLY 44 Ca 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 44.72 44.41 1pfx s GLY 44 CO 0.02 2.29 0.13 -0.56 0.00 0.00 0.00 173.10 174.98 1pfx s SER 45 N -3.38 0.20 -0.17 1.64 0.01 0.63 -1.43 113.70 111.20 1pfx s SER 45 Ca 0.21 0.25 -0.29 0.00 1.31 0.00 0.00 55.95 57.44 1pfx s SER 45 Cb -0.03 0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.31 1pfx s SER 45 CO 0.05 -0.18 1.85 -0.63 0.41 0.00 0.00 173.24 174.75 1pfx s ILE 46 N 1.49 3.36 0.05 1.44 1.01 -0.86 -0.37 121.20 127.31 1pfx s ILE 46 Ca -0.05 0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.89 1pfx s ILE 46 Cb -0.12 -3.37 -0.32 0.00 0.01 0.00 0.00 42.46 38.65 1pfx s ILE 46 CO -0.05 -0.16 1.07 0.40 0.00 0.00 0.00 174.94 176.19 1pfx h ILE 47 N 6.31 1.37 -1.39 2.92 5.03 -1.71 -1.60 117.51 128.44 1pfx h ILE 47 Ca -0.39 -2.83 0.29 0.00 -0.12 0.00 0.00 64.86 61.81 1pfx h ILE 47 Cb 1.19 2.98 -0.17 0.00 -3.03 0.00 0.00 36.82 37.80 1pfx h ILE 47 CO 0.98 0.84 0.85 0.54 -0.68 0.00 0.00 178.15 180.67 1pfx s ASN 48 N -7.41 -0.09 0.09 1.72 2.20 -1.05 -4.55 114.94 105.85 1pfx s ASN 48 Ca -0.07 -0.03 0.06 0.00 -0.94 0.00 0.00 52.86 51.88 1pfx s ASN 48 Cb 0.05 0.13 0.32 0.00 -2.00 0.00 0.00 41.25 39.74 1pfx s ASN 48 CO 0.92 -0.21 0.34 -0.62 -2.94 0.00 0.00 177.10 174.59 1pfx n GLU 49 N -0.19 -0.01 -0.10 3.55 4.71 -1.26 -1.46 120.64 125.88 1pfx n GLU 49 Ca -0.01 0.29 -0.12 0.00 -0.01 0.00 0.00 57.16 57.30 1pfx n GLU 49 Cb 0.59 -0.54 -0.11 0.00 -1.01 0.00 0.00 31.44 30.37 1pfx n GLU 49 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1pfx n LYS 50 N -3.24 0.77 -4.33 3.49 4.81 -1.26 -0.75 118.16 117.66 1pfx n LYS 50 Ca 0.09 0.08 -0.34 0.00 -0.87 0.00 0.00 58.31 57.27 1pfx n LYS 50 Cb 0.32 -1.41 -0.14 0.00 0.02 0.00 0.00 35.03 33.82 1pfx n LYS 50 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1pfx s TRP 51 N -2.41 2.93 0.46 5.64 0.51 -0.53 0.13 118.94 125.66 1pfx s TRP 51 Ca -0.22 -0.67 0.08 0.00 -2.12 0.00 0.00 56.10 53.17 1pfx s TRP 51 Cb 0.06 -1.98 0.01 0.00 -0.81 0.00 0.00 33.47 30.76 1pfx s TRP 51 CO 0.53 -0.30 0.52 0.14 -0.51 0.00 0.00 176.95 177.34 1pfx s VAL 52 N 0.81 2.61 0.10 4.03 -7.23 0.27 -2.04 120.40 118.95 1pfx s VAL 52 Ca -0.02 -1.17 0.08 0.00 -1.81 0.00 0.00 61.98 59.06 1pfx s VAL 52 Cb -0.15 -2.78 -0.03 0.00 0.56 0.00 0.00 36.38 33.98 1pfx s VAL 52 CO 0.01 0.00 -0.20 0.54 -0.31 0.00 0.00 175.10 175.15 1pfx s VAL 53 N -2.48 1.59 0.29 1.32 0.11 0.50 -1.53 120.40 120.20 1pfx s VAL 53 Ca 0.52 -1.50 -0.19 0.00 -2.93 0.00 0.00 61.98 57.88 1pfx s VAL 53 Cb -0.06 -1.46 0.06 0.00 -1.53 0.00 0.00 36.38 33.39 1pfx s VAL 53 CO 0.31 -0.09 0.89 0.28 -3.33 0.00 0.00 175.10 173.16 1pfx s THR 54 N -1.18 0.00 0.07 5.04 -1.32 -0.58 -0.27 115.64 117.40 1pfx s THR 54 Ca 0.05 -0.82 -0.24 0.00 -1.21 0.00 0.00 61.69 59.46 1pfx s THR 54 Cb -0.10 -2.75 -0.06 0.00 -1.51 0.00 0.00 72.50 68.08 1pfx s THR 54 CO 0.04 0.00 0.73 0.00 -2.21 0.00 0.00 174.62 173.18 1pfx s ALA 55 N -2.45 3.42 0.34 11.08 0.00 -1.26 0.26 121.76 133.15 1pfx s ALA 55 Ca 0.17 0.25 0.12 0.00 0.00 0.00 0.00 51.96 52.50 1pfx s ALA 55 Cb -0.04 -2.92 0.96 0.00 0.00 0.00 0.00 23.12 21.11 1pfx s ALA 55 CO 0.08 0.16 1.73 0.00 0.00 0.00 0.00 175.76 177.73 1pfx h ALA 56 N 5.23 1.90 0.00 0.00 0.00 -1.67 -0.95 119.26 123.78 1pfx h ALA 56 Ca -0.45 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1pfx h ALA 56 Cb 1.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1pfx h ALA 56 CO 0.69 -0.38 0.00 -2.39 0.00 0.00 0.00 179.25 177.16 1pfx n HIS 57 N -4.85 0.00 0.13 0.00 1.44 -1.26 -1.49 115.22 109.19 1pfx n HIS 57 Ca 0.27 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 56.06 1pfx n HIS 57 Cb 0.81 -0.02 -0.11 0.00 0.12 0.00 0.00 29.99 30.79 1pfx n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1pfx s ILE 59 N -2.89 3.89 -0.20 0.00 1.01 -0.56 -4.97 121.20 117.49 1pfx s ILE 59 Ca -0.03 -0.72 -0.25 0.00 0.00 0.00 0.00 60.65 59.65 1pfx s ILE 59 Cb 0.10 -5.00 -0.01 0.00 0.01 0.00 0.00 42.46 37.56 1pfx s ILE 59 CO 0.61 -1.88 0.83 -1.61 0.00 0.00 0.00 174.94 172.89 1pfx s GLU 60 N 5.10 4.26 -0.15 2.79 2.02 -1.26 -4.98 118.70 126.47 1pfx s GLU 60 Ca 0.47 0.99 -0.39 0.00 0.02 0.00 0.00 54.97 56.07 1pfx s GLU 60 Cb -0.00 -3.60 -0.16 0.00 0.10 0.00 0.00 34.13 30.47 1pfx s GLU 60 CO -0.09 -0.40 1.63 -2.30 0.02 0.00 0.00 175.26 174.13 1pfx n PRO 60 N 5.51 1.24 -0.84 0.39 -0.02 -1.26 -2.44 135.00 137.58 1pfx n PRO 60 Ca 0.05 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1pfx n PRO 60 Cb 0.48 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1pfx n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pfx n GLY 61 N 3.71 0.55 3.68 -1.23 0.00 -1.26 -5.06 105.19 105.58 1pfx n GLY 61 Ca 0.24 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1pfx n GLY 61 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pfx s VAL 62 N -2.00 3.83 -0.25 1.61 -7.23 -1.02 -5.10 120.40 110.24 1pfx s VAL 62 Ca 0.00 -1.35 -0.11 0.00 -1.81 0.00 0.00 61.98 58.71 1pfx s VAL 62 Cb 0.00 -2.92 -0.05 0.00 0.56 0.00 0.00 36.38 33.97 1pfx s VAL 62 CO 0.00 -0.09 0.18 -0.54 -0.31 0.00 0.00 175.10 174.34 1pfx s LYS 63 N -2.91 4.05 -0.11 4.82 1.02 -1.26 -4.96 119.74 120.39 1pfx s LYS 63 Ca 0.28 -0.25 -0.04 0.00 0.02 0.00 0.00 55.97 55.97 1pfx s LYS 63 Cb -0.10 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 1pfx s LYS 63 CO 0.19 -0.00 0.05 0.42 -0.92 0.00 0.00 175.35 175.08 1pfx s ILE 64 N 1.25 4.70 -0.18 2.17 1.01 -1.26 -4.45 121.20 124.43 1pfx s ILE 64 Ca 0.08 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.65 1pfx s ILE 64 Cb -0.14 -3.02 0.03 0.00 0.01 0.00 0.00 42.46 39.33 1pfx s ILE 64 CO 0.06 0.58 -0.15 0.42 0.00 0.00 0.00 174.94 175.85 1pfx s THR 65 N -0.68 1.83 0.30 2.92 -4.23 0.23 -1.47 115.64 114.54 1pfx s THR 65 Ca 0.11 -0.93 -0.28 0.00 -1.18 0.00 0.00 61.69 59.41 1pfx s THR 65 Cb -0.12 -1.75 -0.09 0.00 1.34 0.00 0.00 72.50 71.88 1pfx s THR 65 CO 0.02 0.37 1.05 0.68 -0.54 0.00 0.00 174.62 176.21 1pfx s VAL 66 N 1.36 3.67 -0.64 2.29 -7.23 -0.91 -1.58 120.40 117.36 1pfx s VAL 66 Ca 0.02 1.59 0.05 0.00 -1.81 0.00 0.00 61.98 61.83 1pfx s VAL 66 Cb -0.14 -3.98 0.29 0.00 0.56 0.00 0.00 36.38 33.11 1pfx s VAL 66 CO -0.10 0.31 0.88 0.52 -0.31 0.00 0.00 175.10 176.40 1pfx n VAL 67 N 0.99 2.86 -1.12 1.32 0.31 0.16 -1.90 118.33 120.96 1pfx n VAL 67 Ca -0.00 -5.42 -0.35 0.00 -0.01 0.00 0.00 64.34 58.56 1pfx n VAL 67 Cb 0.46 -1.79 0.10 0.00 -0.91 0.00 0.00 33.84 31.70 1pfx n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pfx n ALA 68 N 0.37 -1.16 -1.12 3.52 0.00 -0.97 -2.68 120.51 118.46 1pfx n ALA 68 Ca 0.31 -0.35 -0.04 0.00 0.00 0.00 0.00 53.44 53.36 1pfx n ALA 68 Cb 0.40 -1.99 -0.02 0.00 0.00 0.00 0.00 19.45 17.84 1pfx n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pfx n GLY 69 N 1.21 0.43 3.86 0.00 0.00 -1.26 -1.08 105.19 108.36 1pfx n GLY 69 Ca 0.11 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1pfx n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pfx s GLU 70 N -2.28 3.52 0.00 1.61 -6.30 -1.09 -3.13 118.70 111.02 1pfx s GLU 70 Ca 0.00 0.81 0.00 0.00 -2.50 0.00 0.00 54.97 53.28 1pfx s GLU 70 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 34.13 32.06 1pfx s GLU 70 CO 0.00 -0.64 0.00 0.98 0.02 0.00 0.00 175.26 175.62 1pfx n TYR 71 N -2.70 -0.13 -3.47 5.30 9.36 -1.26 -4.96 117.16 119.31 1pfx n TYR 71 Ca 0.06 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.88 1pfx n TYR 71 Cb 0.54 0.12 -0.10 0.00 -0.63 0.00 0.00 39.34 39.27 1pfx n TYR 71 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1pfx s ASN 72 N 0.17 6.12 0.44 2.98 2.47 -1.26 -2.51 114.94 123.35 1pfx s ASN 72 Ca 0.00 -0.33 0.11 0.00 0.42 0.00 0.00 52.86 53.06 1pfx s ASN 72 Cb 0.00 -2.17 0.98 0.00 -1.45 0.00 0.00 41.25 38.61 1pfx s ASN 72 CO 0.00 -0.29 2.06 0.71 -3.72 0.00 0.00 177.10 175.86 1pfx h THR 73 N 5.51 1.03 0.00 -5.21 1.35 -0.88 -2.18 112.91 112.54 1pfx h THR 73 Ca -0.31 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1pfx h THR 73 Cb 1.15 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1pfx h THR 73 CO 0.66 0.08 0.00 -0.33 -0.25 0.00 0.00 175.52 175.68 1pfx h GLU 74 N 0.41 0.00 -4.77 4.72 5.08 -1.94 -3.44 114.58 114.65 1pfx h GLU 74 Ca 0.15 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.18 1pfx h GLU 74 Cb 0.10 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.12 1pfx h GLU 74 CO -0.04 0.00 -0.75 -1.21 -1.00 0.00 0.00 179.01 176.01 1pfx s GLU 75 N -3.35 0.62 -0.93 2.33 2.02 -0.82 -5.10 118.70 113.46 1pfx s GLU 75 Ca 0.04 -0.70 -0.24 0.00 0.02 0.00 0.00 54.97 54.09 1pfx s GLU 75 Cb 0.09 -0.50 0.03 0.00 0.10 0.00 0.00 34.13 33.85 1pfx s GLU 75 CO 0.41 0.11 1.51 0.99 0.02 0.00 0.00 175.26 178.30 1pfx s THR 76 N -1.07 3.79 0.07 3.63 2.01 -1.26 -4.60 115.64 118.21 1pfx s THR 76 Ca -0.05 -0.45 -0.31 0.00 0.31 0.00 0.00 61.69 61.19 1pfx s THR 76 Cb -0.08 -4.83 -0.07 0.00 0.01 0.00 0.00 72.50 67.53 1pfx s THR 76 CO 0.01 -1.74 1.35 -1.61 -0.69 0.00 0.00 174.62 171.94 1pfx s GLU 77 N 5.50 4.34 0.09 4.92 8.01 -1.26 -4.89 118.70 135.41 1pfx s GLU 77 Ca 0.48 1.97 0.06 0.00 0.01 0.00 0.00 54.97 57.49 1pfx s GLU 77 Cb -0.03 -3.36 0.32 0.00 -4.31 0.00 0.00 34.13 26.75 1pfx s GLU 77 CO -0.03 -0.43 1.15 -2.30 0.01 0.00 0.00 175.26 173.66 1pfx n PRO 78 N 4.31 0.04 0.13 0.39 -0.02 -1.26 -1.66 135.00 136.93 1pfx n PRO 78 Ca 0.11 0.51 0.07 0.00 -2.02 0.00 0.00 63.50 62.18 1pfx n PRO 78 Cb 0.44 -1.66 0.03 0.00 -0.02 0.00 0.00 33.50 32.28 1pfx n PRO 78 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1pfx h THR 79 N 0.00 0.28 -2.23 3.45 1.35 -1.90 -3.47 112.91 110.39 1pfx h THR 79 Ca 0.00 -1.46 -0.62 0.00 -0.55 0.00 0.00 66.41 63.78 1pfx h THR 79 Cb 0.08 1.93 0.10 0.00 -1.73 0.00 0.00 68.15 68.53 1pfx h THR 79 CO 0.00 0.16 0.15 -0.62 -0.25 0.00 0.00 175.52 174.96 1pfx n GLU 80 N -2.94 1.24 -3.47 4.72 1.02 -0.66 -4.43 120.64 116.11 1pfx n GLU 80 Ca -0.01 0.44 -0.24 0.00 -0.02 0.00 0.00 57.16 57.33 1pfx n GLU 80 Cb 0.64 -1.83 -0.12 0.00 -0.02 0.00 0.00 31.44 30.11 1pfx n GLU 80 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1pfx s GLN 81 N -1.11 0.30 0.40 3.49 -0.21 -0.24 -4.95 119.66 117.34 1pfx s GLN 81 Ca 0.64 -0.49 -0.17 0.00 0.02 0.00 0.00 55.36 55.36 1pfx s GLN 81 Cb -0.76 -0.97 -0.09 0.00 1.00 0.00 0.00 33.01 32.19 1pfx s GLN 81 CO 0.57 -1.05 0.86 1.03 -2.12 0.00 0.00 175.29 174.57 1pfx s ARG 82 N 2.05 4.05 0.22 2.91 0.52 -1.26 -2.30 118.95 125.15 1pfx s ARG 82 Ca 0.10 0.86 -0.07 0.00 -0.52 0.00 0.00 55.73 56.10 1pfx s ARG 82 Cb -0.16 -2.29 -0.02 0.00 0.52 0.00 0.00 34.95 33.00 1pfx s ARG 82 CO -0.30 -0.00 0.31 1.03 0.02 0.00 0.00 175.30 176.36 1pfx s ARG 83 N -3.33 1.36 -0.04 3.54 1.81 -0.80 -4.96 118.95 116.53 1pfx s ARG 83 Ca 0.57 -1.41 0.07 0.00 -1.72 0.00 0.00 55.73 53.24 1pfx s ARG 83 Cb -0.10 0.37 -0.01 0.00 -0.45 0.00 0.00 34.95 34.76 1pfx s ARG 83 CO 0.20 -0.51 -0.25 -0.80 -0.68 0.00 0.00 175.30 173.26 1pfx s ASN 84 N -3.08 2.98 -0.02 0.23 0.01 -1.26 -2.14 114.94 111.66 1pfx s ASN 84 Ca 0.29 -0.48 -0.30 0.00 -0.71 0.00 0.00 52.86 51.66 1pfx s ASN 84 Cb 0.03 -0.65 -0.03 0.00 0.41 0.00 0.00 41.25 41.01 1pfx s ASN 84 CO 0.10 0.26 1.05 -0.69 -1.51 0.00 0.00 177.10 176.31 1pfx s VAL 85 N -0.30 4.63 -0.13 1.60 1.01 -0.54 -1.77 120.40 124.90 1pfx s VAL 85 Ca 0.01 1.89 0.15 0.00 0.00 0.00 0.00 61.98 64.03 1pfx s VAL 85 Cb -0.12 -4.21 -0.22 0.00 0.00 0.00 0.00 36.38 31.82 1pfx s VAL 85 CO 0.02 0.10 0.37 2.30 0.00 0.00 0.00 175.10 177.89 1pfx n ILE 86 N 4.12 0.00 -3.74 2.22 -5.35 -0.63 -4.77 119.36 111.21 1pfx n ILE 86 Ca 0.08 -0.31 -0.13 0.00 -0.27 0.00 0.00 62.75 62.11 1pfx n ILE 86 Cb 0.49 0.29 -0.10 0.00 -1.74 0.00 0.00 39.64 38.58 1pfx n ILE 86 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1pfx s ARG 87 N -2.93 0.47 -0.28 6.28 3.52 -1.24 -5.02 118.95 119.75 1pfx s ARG 87 Ca -0.04 0.55 -0.01 0.00 -0.13 0.00 0.00 55.73 56.11 1pfx s ARG 87 Cb 0.10 0.23 0.08 0.00 -1.56 0.00 0.00 34.95 33.80 1pfx s ARG 87 CO 0.62 -0.06 0.05 0.00 -0.81 0.00 0.00 175.30 175.10 1pfx s ALA 88 N 0.19 1.61 -0.71 6.12 0.00 -1.26 -1.55 121.76 126.16 1pfx s ALA 88 Ca -0.00 -1.48 -0.13 0.00 0.00 0.00 0.00 51.96 50.34 1pfx s ALA 88 Cb -0.03 -1.53 0.19 0.00 0.00 0.00 0.00 23.12 21.75 1pfx s ALA 88 CO 0.01 -1.48 0.64 0.42 0.00 0.00 0.00 175.76 175.35 1pfx s ILE 89 N 1.57 5.25 0.83 0.00 1.01 -0.50 -4.95 121.20 124.42 1pfx s ILE 89 Ca 0.05 -2.22 -0.11 0.00 0.00 0.00 0.00 60.65 58.36 1pfx s ILE 89 Cb -0.18 -4.30 0.09 0.00 0.01 0.00 0.00 42.46 38.08 1pfx s ILE 89 CO -0.17 -0.96 1.09 -2.84 0.00 0.00 0.00 174.94 172.06 1pfx s PRO 90 N 0.59 1.84 0.20 2.79 0.02 -1.26 -1.94 135.00 137.23 1pfx s PRO 90 Ca 0.13 0.81 -0.32 0.00 0.02 0.00 0.00 61.00 61.64 1pfx s PRO 90 Cb -0.17 -1.88 -0.12 0.00 0.02 0.00 0.00 34.50 32.35 1pfx s PRO 90 CO -0.05 -1.83 1.72 -1.58 -0.33 0.00 0.00 177.00 174.93 1pfx s HIS 91 N -3.02 2.86 0.08 6.54 2.46 -0.51 -4.86 115.29 118.84 1pfx s HIS 91 Ca 0.62 0.33 -0.16 0.00 0.47 0.00 0.00 55.06 56.32 1pfx s HIS 91 Cb -0.16 -4.14 -0.04 0.00 -0.13 0.00 0.00 32.58 28.12 1pfx s HIS 91 CO 0.56 -4.32 0.79 0.72 -2.47 0.00 0.00 174.74 170.01 1pfx n HIS 92 N 4.11 -0.22 -1.49 3.88 -0.00 -1.26 0.08 115.22 120.31 1pfx n HIS 92 Ca 0.16 0.63 -0.29 0.00 -0.00 0.00 0.00 57.72 58.22 1pfx n HIS 92 Cb 0.35 -0.53 -0.02 0.00 -0.00 0.00 0.00 29.99 29.79 1pfx n HIS 92 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1pfx n SER 93 N -4.58 6.73 0.00 0.41 3.41 -1.26 -4.78 113.62 113.54 1pfx n SER 93 Ca 0.01 -3.33 0.00 0.00 -0.26 0.00 0.00 58.87 55.29 1pfx n SER 93 Cb 0.13 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 1pfx n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pfx n TYR 94 N 0.47 0.00 -3.52 7.33 9.36 0.11 -4.48 117.16 126.43 1pfx n TYR 94 Ca 0.48 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.54 1pfx n TYR 94 Cb 0.50 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 39.09 1pfx n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1pfx s ASN 95 N -1.74 0.99 0.01 2.98 2.47 -1.26 -4.27 114.94 114.12 1pfx s ASN 95 Ca 0.00 0.03 0.06 0.00 0.42 0.00 0.00 52.86 53.37 1pfx s ASN 95 Cb 0.00 0.53 -0.24 0.00 -1.45 0.00 0.00 41.25 40.10 1pfx s ASN 95 CO 0.00 -0.30 0.89 0.00 -3.72 0.00 0.00 177.10 173.96 1pfx h ALA 95 N 8.29 0.50 0.00 1.71 0.00 -1.95 -3.45 119.26 124.37 1pfx h ALA 95 Ca -0.17 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.54 1pfx h ALA 95 Cb 1.14 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1pfx h ALA 95 CO 0.24 1.36 0.00 -2.37 0.00 0.00 0.00 179.25 178.48 1pfx n THR 95 N -3.26 0.00 -3.73 0.00 5.66 -1.26 -5.17 114.28 106.53 1pfx n THR 95 Ca -0.12 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.81 1pfx n THR 95 Cb 1.02 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.79 1pfx n THR 95 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1pfx n VAL 96 N 0.00 0.00 -1.01 1.08 3.14 -1.26 -5.07 118.33 115.21 1pfx n VAL 96 Ca 0.00 -0.82 -0.25 0.00 -2.96 0.00 0.00 64.34 60.31 1pfx n VAL 96 Cb 0.00 0.55 -0.11 0.00 -1.06 0.00 0.00 33.84 33.22 1pfx n VAL 96 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1pfx n ASN 97 N -1.73 -0.06 -0.81 6.55 2.04 -1.26 -4.74 115.26 115.25 1pfx n ASN 97 Ca -0.01 0.01 0.00 0.00 -0.44 0.00 0.00 54.58 54.15 1pfx n ASN 97 Cb 0.30 -0.56 0.00 0.00 -2.53 0.00 0.00 39.78 36.99 1pfx n ASN 97 CO 0.00 0.00 0.00 2.29 -0.44 0.00 0.00 177.26 179.11 1pfx n LYS 98 N 5.27 0.35 -0.20 -3.83 2.85 -1.26 -2.20 118.16 119.13 1pfx n LYS 98 Ca 0.45 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.71 1pfx n LYS 98 Cb 0.04 -1.27 0.00 0.00 -0.65 0.00 0.00 35.03 33.15 1pfx n LYS 98 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 1pfx n TYR 99 N 0.64 0.00 0.00 5.58 0.18 -1.26 -4.78 117.16 117.51 1pfx n TYR 99 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1pfx n TYR 99 Cb 0.14 0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.11 1pfx n TYR 99 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1pfx n SER 100 N 0.00 0.00 -1.65 9.48 3.41 -0.93 -3.78 113.62 120.15 1pfx n SER 100 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1pfx n SER 100 Cb 0.57 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.47 1pfx n SER 100 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1pfx n HIS 101 N 0.00 0.00 -0.99 7.33 8.25 -1.26 -4.78 115.22 123.77 1pfx n HIS 101 Ca 0.00 -1.13 -0.28 0.00 -0.26 0.00 0.00 57.72 56.05 1pfx n HIS 101 Cb 0.00 -0.81 -0.11 0.00 1.12 0.00 0.00 29.99 30.19 1pfx n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1pfx n ASP 102 N 1.79 0.91 -3.68 0.41 2.03 -1.25 -4.46 116.55 112.31 1pfx n ASP 102 Ca 0.12 -2.35 -0.15 0.00 0.52 0.00 0.00 54.79 52.93 1pfx n ASP 102 Cb 0.61 -0.99 -0.08 0.00 -0.72 0.00 0.00 41.12 39.94 1pfx n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1pfx s ILE 103 N 10.89 0.03 0.07 5.18 2.07 -1.26 -3.81 121.20 134.36 1pfx s ILE 103 Ca 0.68 -0.28 -0.24 0.00 -1.41 0.00 0.00 60.65 59.40 1pfx s ILE 103 Cb 0.05 -0.75 0.06 0.00 0.13 0.00 0.00 42.46 41.96 1pfx s ILE 103 CO 0.25 -0.15 0.58 0.00 -1.91 0.00 0.00 174.94 173.71 1pfx s ALA 104 N -1.17 -1.52 -0.14 1.50 0.00 0.14 -1.42 121.76 119.16 1pfx s ALA 104 Ca -0.12 0.71 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 1pfx s ALA 104 Cb -0.03 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 1pfx s ALA 104 CO 0.06 -0.57 -0.11 -0.51 0.00 0.00 0.00 175.76 174.63 1pfx s LEU 105 N -2.08 2.77 -0.24 0.00 1.43 -0.82 -1.52 118.68 118.22 1pfx s LEU 105 Ca -0.04 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 52.67 1pfx s LEU 105 Cb -0.01 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 1pfx s LEU 105 CO -0.03 0.14 0.06 -0.76 0.23 0.00 0.00 176.35 175.99 1pfx s LEU 106 N 0.50 3.42 -0.52 1.79 1.43 -0.58 -1.40 118.68 123.31 1pfx s LEU 106 Ca -0.08 -0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 52.63 1pfx s LEU 106 Cb -0.15 -1.91 0.07 0.00 0.03 0.00 0.00 46.19 44.23 1pfx s LEU 106 CO 0.04 -0.01 0.63 -0.70 0.23 0.00 0.00 176.35 176.54 1pfx s GLU 107 N 1.46 3.10 0.41 1.70 2.12 -0.59 -0.57 118.70 126.34 1pfx s GLU 107 Ca 0.06 -0.98 -0.25 0.00 0.36 0.00 0.00 54.97 54.16 1pfx s GLU 107 Cb -0.15 -4.13 -0.08 0.00 0.26 0.00 0.00 34.13 30.03 1pfx s GLU 107 CO 0.03 -1.27 1.20 -0.51 -0.54 0.00 0.00 175.26 174.17 1pfx s LEU 108 N 2.61 4.16 0.02 2.70 1.02 0.12 -1.61 118.68 127.70 1pfx s LEU 108 Ca 0.14 2.42 -0.27 0.00 0.02 0.00 0.00 54.13 56.44 1pfx s LEU 108 Cb -0.20 -4.04 -0.16 0.00 0.02 0.00 0.00 46.19 41.81 1pfx s LEU 108 CO 0.11 -0.77 1.27 -2.24 0.02 0.00 0.00 176.35 174.74 1pfx h ASP 109 N 2.52 -0.57 -3.24 2.29 2.03 -1.63 -3.44 116.42 114.38 1pfx h ASP 109 Ca -0.49 -0.07 -0.63 0.00 -0.73 0.00 0.00 57.03 55.11 1pfx h ASP 109 Cb 1.24 0.15 -0.16 0.00 -0.83 0.00 0.00 39.33 39.73 1pfx h ASP 109 CO 0.62 -0.24 -0.58 -1.61 -1.03 0.00 0.00 179.24 176.40 1pfx s GLU 110 N -4.95 3.74 0.52 4.15 0.41 -1.26 -5.08 118.70 116.24 1pfx s GLU 110 Ca -0.15 -0.36 -0.22 0.00 -0.41 0.00 0.00 54.97 53.83 1pfx s GLU 110 Cb 0.02 -3.11 -0.06 0.00 -1.78 0.00 0.00 34.13 29.20 1pfx s GLU 110 CO 0.52 0.38 1.24 -2.30 -0.49 0.00 0.00 175.26 174.61 1pfx n PRO 111 N 3.19 1.57 -1.75 0.39 -0.02 -1.26 -4.91 135.00 132.21 1pfx n PRO 111 Ca -0.17 0.58 -0.30 0.00 -2.02 0.00 0.00 63.50 61.58 1pfx n PRO 111 Cb 0.53 -2.42 0.06 0.00 -0.02 0.00 0.00 33.50 31.64 1pfx n PRO 111 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1pfx s LEU 112 N -2.62 2.79 -0.47 2.45 1.43 0.07 -5.00 118.68 117.32 1pfx s LEU 112 Ca 0.70 1.22 -0.16 0.00 -1.03 0.00 0.00 54.13 54.85 1pfx s LEU 112 Cb -0.45 -3.95 0.07 0.00 0.03 0.00 0.00 46.19 41.89 1pfx s LEU 112 CO 0.51 -1.58 0.43 -0.89 0.23 0.00 0.00 176.35 175.05 1pfx s THR 113 N -3.27 5.18 0.13 5.49 2.01 -1.26 -4.90 115.64 119.02 1pfx s THR 113 Ca 0.59 -0.95 -0.31 0.00 0.31 0.00 0.00 61.69 61.32 1pfx s THR 113 Cb -0.12 -4.14 -0.10 0.00 0.01 0.00 0.00 72.50 68.15 1pfx s THR 113 CO 0.53 -0.60 1.64 -0.76 -0.69 0.00 0.00 174.62 174.74 1pfx s LEU 114 N 1.79 4.37 0.00 4.42 1.43 -1.26 -4.69 118.68 124.74 1pfx s LEU 114 Ca 0.06 2.61 -0.06 0.00 -1.03 0.00 0.00 54.13 55.71 1pfx s LEU 114 Cb -0.23 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.43 1pfx s LEU 114 CO 0.08 -0.88 0.34 -0.46 0.23 0.00 0.00 176.35 175.65 1pfx n ASN 115 N 4.68 -0.98 -0.25 2.29 0.23 -0.25 -4.93 115.26 116.05 1pfx n ASN 115 Ca 0.15 -1.69 0.30 0.00 -0.53 0.00 0.00 54.58 52.82 1pfx n ASN 115 Cb 0.39 1.63 0.71 0.00 -2.08 0.00 0.00 39.78 40.42 1pfx n ASN 115 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1pfx h SER 116 N 0.85 0.06 -0.00 0.53 0.02 -1.99 0.11 113.55 113.12 1pfx h SER 116 Ca -0.14 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1pfx h SER 116 Cb 0.53 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1pfx h SER 116 CO 0.18 0.01 -0.76 -1.22 -1.14 0.00 0.00 176.83 173.91 1pfx n TYR 117 N -4.27 0.00 -3.66 3.45 4.02 -1.26 -4.70 117.16 110.74 1pfx n TYR 117 Ca 0.22 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.83 1pfx n TYR 117 Cb 1.06 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 40.26 1pfx n TYR 117 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1pfx s VAL 118 N -2.64 1.46 -0.03 -0.72 1.01 0.38 -4.11 120.40 115.75 1pfx s VAL 118 Ca 0.10 -3.07 0.03 0.00 0.00 0.00 0.00 61.98 59.04 1pfx s VAL 118 Cb 0.15 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1pfx s VAL 118 CO 0.70 -1.04 -0.12 -0.89 0.00 0.00 0.00 175.10 173.75 1pfx s THR 119 N -0.26 1.05 1.01 3.92 2.01 0.12 -1.09 115.64 122.40 1pfx s THR 119 Ca 0.25 -0.50 -0.12 0.00 0.31 0.00 0.00 61.69 61.62 1pfx s THR 119 Cb -0.09 -0.92 0.20 0.00 0.01 0.00 0.00 72.50 71.69 1pfx s THR 119 CO -0.11 0.32 1.08 -2.16 -0.69 0.00 0.00 174.62 173.05 1pfx s PRO 120 N 0.15 0.30 0.23 4.92 0.04 -1.26 -2.92 135.00 136.46 1pfx s PRO 120 Ca -0.04 0.69 0.05 0.00 0.04 0.00 0.00 61.00 61.74 1pfx s PRO 120 Cb -0.10 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 1pfx s PRO 120 CO 0.01 -2.86 0.30 0.42 0.04 0.00 0.00 177.00 174.91 1pfx s ILE 121 N -2.84 5.03 0.11 0.56 1.09 -0.60 -4.81 121.20 119.74 1pfx s ILE 121 Ca 0.66 -1.07 -0.24 0.00 -1.10 0.00 0.00 60.65 58.90 1pfx s ILE 121 Cb -0.20 -3.71 -0.07 0.00 -1.06 0.00 0.00 42.46 37.42 1pfx s ILE 121 CO 0.59 -0.30 0.74 0.00 -0.10 0.00 0.00 174.94 175.87 1pfx s ILE 123 N -0.80 3.61 0.69 0.00 1.09 -1.26 -1.92 121.20 122.60 1pfx s ILE 123 Ca 0.35 -1.04 -0.10 0.00 -1.10 0.00 0.00 60.65 58.76 1pfx s ILE 123 Cb -0.22 -2.98 0.02 0.00 -1.06 0.00 0.00 42.46 38.23 1pfx s ILE 123 CO 0.24 -0.06 1.06 0.00 -0.10 0.00 0.00 174.94 176.08 1pfx s ALA 124 N 1.40 2.97 1.16 9.38 0.00 -1.26 -5.06 121.76 130.35 1pfx s ALA 124 Ca -0.01 -0.45 -0.18 0.00 0.00 0.00 0.00 51.96 51.33 1pfx s ALA 124 Cb -0.19 -2.92 0.25 0.00 0.00 0.00 0.00 23.12 20.27 1pfx s ALA 124 CO 0.01 -1.10 1.04 -0.40 0.00 0.00 0.00 175.76 175.31 1pfx n ASP 125 N -2.93 -1.43 0.13 0.00 5.75 -1.26 -4.71 116.55 112.10 1pfx n ASP 125 Ca 0.06 -1.19 -0.14 0.00 -0.01 0.00 0.00 54.79 53.52 1pfx n ASP 125 Cb 0.58 -0.90 -0.06 0.00 -1.03 0.00 0.00 41.12 39.70 1pfx n ASP 125 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1pfx h LYS 126 N 0.00 -0.56 0.00 0.11 3.64 -1.96 -2.67 116.57 115.12 1pfx h LYS 126 Ca -0.37 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1pfx h LYS 126 Cb 1.11 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1pfx h LYS 126 CO 0.25 -0.38 0.00 -1.91 -2.27 0.00 0.00 179.45 175.14 1pfx n GLU 127 N -5.43 0.00 -0.12 1.90 2.13 -1.26 -2.93 120.64 114.93 1pfx n GLU 127 Ca -0.07 0.76 0.20 0.00 0.66 0.00 0.00 57.16 58.70 1pfx n GLU 127 Cb 0.34 -1.49 0.61 0.00 0.27 0.00 0.00 31.44 31.17 1pfx n GLU 127 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 1pfx h TYR 128 N 0.00 0.23 -0.38 4.31 -1.99 -1.93 -1.55 116.97 115.67 1pfx h TYR 128 Ca 0.00 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1pfx h TYR 128 Cb 0.00 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 38.64 1pfx h TYR 128 CO -0.39 0.08 0.22 1.15 -0.00 0.00 0.00 178.16 179.23 1pfx h THR 129 N 0.19 1.13 -0.43 -2.88 2.02 -1.35 0.14 112.91 111.74 1pfx h THR 129 Ca 0.35 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 67.14 1pfx h THR 129 Cb 1.10 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1pfx h THR 129 CO -0.07 0.14 -0.00 -1.13 0.37 0.00 0.00 175.52 174.83 1pfx h ASN 129 N 0.49 0.75 -0.35 4.18 -1.24 -1.24 -1.63 115.58 116.53 1pfx h ASN 129 Ca 0.13 -0.31 0.08 0.00 0.71 0.00 0.00 56.30 56.91 1pfx h ASN 129 Cb 0.02 -0.20 -0.08 0.00 0.73 0.00 0.00 38.32 38.80 1pfx h ASN 129 CO -0.02 0.87 -0.19 0.40 -1.29 0.00 0.00 177.43 177.20 1pfx h ILE 129 N 0.60 0.46 0.00 2.57 2.04 -0.84 0.18 117.51 122.51 1pfx h ILE 129 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 1pfx h ILE 129 Cb 0.49 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1pfx h ILE 129 CO 0.02 0.00 0.00 -0.26 0.00 0.00 0.00 178.15 177.91 1pfx h PHE 130 N -0.13 0.00 0.01 1.37 0.04 -0.52 -3.08 116.94 114.62 1pfx h PHE 130 Ca 0.18 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 1pfx h PHE 130 Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1pfx h PHE 130 CO -0.40 0.00 -0.01 1.25 -0.60 0.00 0.00 178.31 178.55 1pfx h LEU 131 N 0.00 -0.01 0.00 1.54 6.46 0.00 -3.24 115.31 120.06 1pfx h LEU 131 Ca 0.00 -0.67 0.00 0.00 -0.12 0.00 0.00 57.88 57.09 1pfx h LEU 131 Cb 0.43 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1pfx h LEU 131 CO 0.00 0.67 0.00 2.29 -0.62 0.00 0.00 178.44 180.78 1pfx n LYS 132 N -4.77 0.72 0.00 1.25 2.85 -0.74 -3.05 118.16 114.42 1pfx n LYS 132 Ca -0.09 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.25 1pfx n LYS 132 Cb 0.34 -1.13 0.35 0.00 -0.65 0.00 0.00 35.03 33.93 1pfx n LYS 132 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1pfx n PHE 133 N -0.63 0.00 0.00 5.58 3.01 -1.21 -4.92 117.46 119.29 1pfx n PHE 133 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1pfx n PHE 133 Cb 0.02 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.04 1pfx n PHE 133 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pfx n GLY 134 N 0.13 3.12 3.34 1.37 0.00 -1.17 -5.05 105.19 106.92 1pfx n GLY 134 Ca 0.05 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 45.01 1pfx n GLY 134 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pfx s SER 135 N 0.00 2.67 0.05 1.61 0.01 -1.26 -0.20 113.70 116.58 1pfx s SER 135 Ca 0.00 -0.93 -0.19 0.00 1.31 0.00 0.00 55.95 56.14 1pfx s SER 135 Cb 0.00 -0.15 0.04 0.00 0.21 0.00 0.00 66.02 66.12 1pfx s SER 135 CO 0.00 -0.09 0.44 -0.83 0.41 0.00 0.00 173.24 173.18 1pfx s GLY 136 N -2.97 -0.32 -0.06 3.44 0.00 -1.15 -4.77 107.32 101.49 1pfx s GLY 136 Ca 0.19 0.35 -0.14 0.00 0.00 0.00 0.00 44.72 45.13 1pfx s GLY 136 CO 0.07 0.08 0.35 -0.19 0.00 0.00 0.00 173.10 173.42 1pfx s TYR 137 N -2.62 3.63 -0.15 1.90 2.02 0.20 -0.72 117.35 121.60 1pfx s TYR 137 Ca -0.04 0.83 0.00 0.00 -0.37 0.00 0.00 57.07 57.49 1pfx s TYR 137 Cb -0.00 -2.28 0.03 0.00 -0.40 0.00 0.00 41.96 39.30 1pfx s TYR 137 CO -0.03 0.52 -0.10 0.08 -1.57 0.00 0.00 175.55 174.45 1pfx s VAL 138 N -0.55 1.33 0.04 0.71 1.01 -0.46 -0.20 120.40 122.28 1pfx s VAL 138 Ca 0.21 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.67 1pfx s VAL 138 Cb -0.15 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1pfx s VAL 138 CO 0.10 0.31 -0.22 -0.94 0.00 0.00 0.00 175.10 174.35 1pfx s SER 139 N 1.56 3.51 0.00 3.32 1.04 -1.22 -1.72 113.70 120.20 1pfx s SER 139 Ca 0.03 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1pfx s SER 139 Cb -0.14 -0.47 0.00 0.00 0.10 0.00 0.00 66.02 65.51 1pfx s SER 139 CO -0.09 0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.00 1pfx n GLY 140 N 1.69 1.29 3.51 7.32 0.00 -0.07 -3.86 105.19 115.07 1pfx n GLY 140 Ca -0.17 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1pfx n GLY 140 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pfx s TRP 141 N -2.00 3.02 0.00 1.61 0.51 -1.26 -3.61 118.94 117.22 1pfx s TRP 141 Ca 0.00 -0.12 0.00 0.00 -2.12 0.00 0.00 56.10 53.86 1pfx s TRP 141 Cb 0.00 -3.49 0.00 0.00 -0.81 0.00 0.00 33.47 29.17 1pfx s TRP 141 CO 0.00 -0.97 0.00 0.41 -0.51 0.00 0.00 176.95 175.88 1pfx n GLY 142 N 5.07 1.56 3.67 0.98 0.00 -0.90 -4.20 105.19 111.36 1pfx n GLY 142 Ca -0.02 -0.86 -0.50 0.00 0.00 0.00 0.00 46.02 44.65 1pfx n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfx n ARG 143 N 0.00 1.84 0.05 1.61 1.74 -0.57 0.13 116.66 121.46 1pfx n ARG 143 Ca 0.00 0.67 -0.02 0.00 -0.77 0.00 0.00 57.85 57.73 1pfx n ARG 143 Cb 0.00 -2.44 -0.07 0.00 -1.02 0.00 0.00 32.46 28.93 1pfx n ARG 143 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1pfx h VAL 144 N 4.63 0.85 -4.10 1.55 -1.51 -0.72 0.51 116.25 117.47 1pfx h VAL 144 Ca -0.47 -2.42 -0.65 0.00 -1.23 0.00 0.00 66.70 61.92 1pfx h VAL 144 Cb 1.28 2.33 -0.24 0.00 -2.13 0.00 0.00 31.29 32.54 1pfx h VAL 144 CO 0.91 0.49 -0.86 -0.36 -1.23 0.00 0.00 177.57 176.51 1pfx s PHE 145 N -2.83 2.15 -0.65 5.19 0.08 -1.26 -3.64 117.98 117.02 1pfx s PHE 145 Ca -0.01 -0.40 -0.26 0.00 0.12 0.00 0.00 56.93 56.39 1pfx s PHE 145 Cb 0.08 -1.23 -0.12 0.00 -0.57 0.00 0.00 43.02 41.18 1pfx s PHE 145 CO 0.80 0.20 2.44 -1.71 -0.10 0.00 0.00 175.22 176.86 1pfx n ASN 147 N 1.40 1.74 -3.36 1.36 5.15 -1.26 -1.23 115.26 119.06 1pfx n ASN 147 Ca -0.18 -0.64 -0.17 0.00 -0.60 0.00 0.00 54.58 52.99 1pfx n ASN 147 Cb 0.53 -1.46 0.08 0.00 -0.53 0.00 0.00 39.78 38.39 1pfx n ASN 147 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1pfx n ARG 148 N 8.72 -4.20 0.00 1.20 3.00 -1.26 -4.94 116.66 119.17 1pfx n ARG 148 Ca 0.45 0.84 0.00 0.00 -0.01 0.00 0.00 57.85 59.12 1pfx n ARG 148 Cb 0.43 -5.76 0.00 0.00 0.00 0.00 0.00 32.46 27.13 1pfx n ARG 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1pfx n GLY 149 N -1.22 0.00 3.65 -0.13 0.00 -0.36 -5.13 105.19 101.99 1pfx n GLY 149 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 1pfx n GLY 149 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pfx s ARG 150 N -1.70 0.03 0.33 1.61 3.52 -1.26 -4.91 118.95 116.57 1pfx s ARG 150 Ca 0.00 -0.01 0.04 0.00 -0.13 0.00 0.00 55.73 55.64 1pfx s ARG 150 Cb 0.00 0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.39 1pfx s ARG 150 CO 0.00 -0.01 0.48 0.45 -0.81 0.00 0.00 175.30 175.41 1pfx s SER 151 N -1.88 6.08 -0.31 -2.12 0.15 -1.26 -0.13 113.70 114.22 1pfx s SER 151 Ca 0.11 0.02 -0.29 0.00 0.70 0.00 0.00 55.95 56.50 1pfx s SER 151 Cb -0.01 -1.53 0.01 0.00 -1.71 0.00 0.00 66.02 62.77 1pfx s SER 151 CO -0.03 -0.37 1.23 0.00 1.20 0.00 0.00 173.24 175.27 1pfx s ALA 152 N -2.20 3.41 -0.02 5.45 0.00 0.34 -4.70 121.76 124.04 1pfx s ALA 152 Ca 0.42 0.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.31 1pfx s ALA 152 Cb -0.09 -3.74 -0.32 0.00 0.00 0.00 0.00 23.12 18.96 1pfx s ALA 152 CO 0.32 -1.68 0.77 0.00 0.00 0.00 0.00 175.76 175.17 1pfx h THR 153 N 5.89 1.04 -3.32 0.00 1.03 -1.93 -3.39 112.91 112.23 1pfx h THR 153 Ca -0.24 -2.58 -0.66 0.00 -0.01 0.00 0.00 66.41 62.92 1pfx h THR 153 Cb 1.09 2.84 -0.28 0.00 -1.07 0.00 0.00 68.15 70.73 1pfx h THR 153 CO 1.03 0.85 -0.76 -0.63 -0.01 0.00 0.00 175.52 176.00 1pfx s ILE 154 N -2.59 3.04 -0.29 0.00 1.01 -1.26 -0.14 121.20 120.97 1pfx s ILE 154 Ca -0.14 -0.65 -0.43 0.00 0.00 0.00 0.00 60.65 59.43 1pfx s ILE 154 Cb 0.05 -2.30 -0.20 0.00 0.01 0.00 0.00 42.46 40.02 1pfx s ILE 154 CO 0.88 0.50 1.36 -0.11 0.00 0.00 0.00 174.94 177.57 1pfx n LEU 155 N 3.90 0.70 -4.58 2.97 7.94 -1.04 -4.79 117.00 122.09 1pfx n LEU 155 Ca -0.18 1.16 -0.30 0.00 -1.11 0.00 0.00 56.01 55.57 1pfx n LEU 155 Cb 0.52 -0.88 -0.10 0.00 0.53 0.00 0.00 43.42 43.49 1pfx n LEU 155 CO 0.30 -1.25 -0.41 -1.10 -1.11 0.00 0.00 177.39 173.81 1pfx s GLN 156 N 1.74 2.19 0.10 1.96 -1.52 -1.24 -0.54 119.66 122.35 1pfx s GLN 156 Ca 0.97 -0.99 0.02 0.00 -1.95 0.00 0.00 55.36 53.41 1pfx s GLN 156 Cb -1.38 -2.33 -0.04 0.00 -0.22 0.00 0.00 33.01 29.03 1pfx s GLN 156 CO 0.70 0.52 -0.06 1.52 -0.25 0.00 0.00 175.29 177.72 1pfx s TYR 157 N -1.20 0.90 -0.04 0.91 1.13 -0.06 -0.90 117.35 118.10 1pfx s TYR 157 Ca 0.21 -0.92 -0.22 0.00 -1.41 0.00 0.00 57.07 54.74 1pfx s TYR 157 Cb -0.11 -0.52 0.04 0.00 -1.10 0.00 0.00 41.96 40.27 1pfx s TYR 157 CO 0.13 -0.15 0.47 -1.17 -2.51 0.00 0.00 175.55 172.32 1pfx s LEU 158 N -3.05 0.19 -0.29 -3.49 2.96 -0.70 -1.42 118.68 112.88 1pfx s LEU 158 Ca 0.12 0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 54.33 1pfx s LEU 158 Cb 0.05 1.82 -0.02 0.00 0.50 0.00 0.00 46.19 48.55 1pfx s LEU 158 CO -0.04 -0.50 0.13 -0.75 -1.32 0.00 0.00 176.35 173.86 1pfx s LYS 159 N -1.20 3.46 -0.17 1.98 2.20 -1.26 -1.35 119.74 123.39 1pfx s LYS 159 Ca -0.12 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 54.86 1pfx s LYS 159 Cb -0.03 -3.50 0.01 0.00 -1.51 0.00 0.00 37.83 32.80 1pfx s LYS 159 CO 0.06 -0.34 -0.16 0.14 -0.36 0.00 0.00 175.35 174.69 1pfx s VAL 160 N 1.62 2.46 0.05 4.02 -7.23 0.10 -4.92 120.40 116.49 1pfx s VAL 160 Ca 0.05 -0.82 -0.31 0.00 -1.81 0.00 0.00 61.98 59.09 1pfx s VAL 160 Cb -0.16 -2.04 -0.07 0.00 0.56 0.00 0.00 36.38 34.67 1pfx s VAL 160 CO 0.06 0.52 1.46 -2.84 -0.31 0.00 0.00 175.10 173.99 1pfx s PRO 161 N 1.09 4.27 0.11 4.82 0.02 -1.26 -2.93 135.00 141.12 1pfx s PRO 161 Ca -0.00 2.09 -0.31 0.00 0.02 0.00 0.00 61.00 62.79 1pfx s PRO 161 Cb -0.14 -3.50 -0.11 0.00 0.02 0.00 0.00 34.50 30.77 1pfx s PRO 161 CO -0.06 -0.58 1.84 -0.11 -0.33 0.00 0.00 177.00 177.76 1pfx n LEU 162 N 5.09 3.98 -4.56 -5.54 -0.00 0.73 -2.02 117.00 114.68 1pfx n LEU 162 Ca 0.13 0.98 -0.36 0.00 -0.00 0.00 0.00 56.01 56.76 1pfx n LEU 162 Cb 0.42 -1.53 -0.11 0.00 -0.00 0.00 0.00 43.42 42.21 1pfx n LEU 162 CO 0.60 0.15 -0.23 -0.69 -0.00 0.00 0.00 177.39 177.21 1pfx s VAL 163 N 2.87 4.82 0.73 1.96 1.01 -0.67 -4.92 120.40 126.21 1pfx s VAL 163 Ca 0.83 -0.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.65 1pfx s VAL 163 Cb -0.50 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1pfx s VAL 163 CO 0.39 0.35 0.63 -0.90 0.00 0.00 0.00 175.10 175.57 1pfx n ASP 164 N 4.52 -0.82 0.17 3.32 5.75 -1.26 -3.93 116.55 124.30 1pfx n ASP 164 Ca -0.16 0.60 -0.15 0.00 -0.01 0.00 0.00 54.79 55.07 1pfx n ASP 164 Cb 0.52 -1.26 -0.08 0.00 -1.03 0.00 0.00 41.12 39.26 1pfx n ASP 164 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1pfx h ARG 165 N -0.42 -0.72 -0.99 0.11 2.43 -1.98 -0.79 114.38 112.03 1pfx h ARG 165 Ca -0.46 0.05 0.33 0.00 -0.81 0.00 0.00 59.98 59.09 1pfx h ARG 165 Cb 1.34 0.16 -0.18 0.00 -0.42 0.00 0.00 29.97 30.87 1pfx h ARG 165 CO 0.43 -0.48 0.21 0.00 -1.51 0.00 0.00 179.97 178.62 1pfx n ALA 166 N -2.80 0.69 0.01 2.80 0.00 -1.26 -0.03 120.51 119.92 1pfx n ALA 166 Ca -0.09 1.04 -0.18 0.00 0.00 0.00 0.00 53.44 54.22 1pfx n ALA 166 Cb 0.37 -0.86 -0.13 0.00 0.00 0.00 0.00 19.45 18.83 1pfx n ALA 166 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1pfx h THR 167 N 0.00 1.54 0.20 0.00 2.02 -1.86 -3.21 112.91 111.60 1pfx h THR 167 Ca 0.69 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 65.56 1pfx h THR 167 Cb 1.60 3.03 -0.03 0.00 -1.74 0.00 0.00 68.15 71.00 1pfx h THR 167 CO -0.87 0.65 -0.43 0.00 0.37 0.00 0.00 175.52 175.24 1pfx h LEU 169 N -0.69 0.24 0.15 0.00 -0.00 -0.59 0.32 115.31 114.74 1pfx h LEU 169 Ca -0.02 0.08 -0.31 0.00 -0.00 0.00 0.00 57.88 57.63 1pfx h LEU 169 Cb 0.65 0.05 0.03 0.00 -0.00 0.00 0.00 40.66 41.39 1pfx h LEU 169 CO -0.18 -0.03 -1.31 -0.09 -0.00 0.00 0.00 178.44 176.83 1pfx h ARG 170 N 0.17 0.55 0.00 1.13 2.43 -1.39 -3.32 114.38 113.95 1pfx h ARG 170 Ca 0.69 -0.81 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 1pfx h ARG 170 Cb 2.23 0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 32.06 1pfx h ARG 170 CO -0.25 1.37 -0.32 0.66 -1.51 0.00 0.00 179.97 179.93 1pfx h SER 171 N 0.21 0.00 -3.38 -3.80 4.64 -0.20 -3.44 113.55 107.59 1pfx h SER 171 Ca -0.20 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.45 1pfx h SER 171 Cb 1.99 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.94 1pfx h SER 171 CO 0.24 0.32 -0.64 0.42 -0.87 0.00 0.00 176.83 176.30 1pfx s THR 172 N -4.19 4.16 0.03 2.95 -4.23 -1.02 -4.92 115.64 108.41 1pfx s THR 172 Ca -0.03 -0.50 0.10 0.00 -1.18 0.00 0.00 61.69 60.08 1pfx s THR 172 Cb 0.14 -2.82 -0.13 0.00 1.34 0.00 0.00 72.50 71.04 1pfx s THR 172 CO 0.70 0.45 1.29 0.11 -0.54 0.00 0.00 174.62 176.63 1pfx h LYS 173 N 4.61 0.00 -6.61 3.99 6.56 -1.85 -3.46 116.57 119.82 1pfx h LYS 173 Ca -0.49 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 58.57 1pfx h LYS 173 Cb 1.18 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 32.87 1pfx h LYS 173 CO 0.56 0.81 0.73 -0.06 -2.06 0.00 0.00 179.45 179.43 1pfx s PHE 174 N -2.78 3.20 -0.46 -1.35 0.40 -1.26 -4.91 117.98 110.81 1pfx s PHE 174 Ca 0.02 0.99 -0.26 0.00 -0.60 0.00 0.00 56.93 57.07 1pfx s PHE 174 Cb 0.09 -3.71 -0.06 0.00 0.51 0.00 0.00 43.02 39.86 1pfx s PHE 174 CO 0.80 -2.41 2.29 0.95 0.70 0.00 0.00 175.22 177.55 1pfx s THR 175 N 0.74 3.07 -0.82 0.64 -4.23 -1.26 -4.86 115.64 108.92 1pfx s THR 175 Ca 0.63 0.05 -0.25 0.00 -1.18 0.00 0.00 61.69 60.93 1pfx s THR 175 Cb -0.38 -3.15 -0.03 0.00 1.34 0.00 0.00 72.50 70.27 1pfx s THR 175 CO 0.34 -0.14 1.87 -0.63 -0.54 0.00 0.00 174.62 175.52 1pfx s ILE 176 N 11.10 3.45 1.03 2.99 -1.09 -1.26 -4.96 121.20 132.47 1pfx s ILE 176 Ca 0.93 -0.20 -0.11 0.00 -2.23 0.00 0.00 60.65 59.04 1pfx s ILE 176 Cb -0.19 -4.07 0.21 0.00 -1.58 0.00 0.00 42.46 36.83 1pfx s ILE 176 CO 0.27 -1.02 1.09 -0.31 -1.23 0.00 0.00 174.94 173.74 1pfx s TYR 177 N 9.37 1.52 0.25 3.97 1.51 -1.26 -4.91 117.35 127.80 1pfx s TYR 177 Ca 0.67 1.49 -0.05 0.00 -1.01 0.00 0.00 57.07 58.16 1pfx s TYR 177 Cb -0.08 -3.22 0.27 0.00 -0.11 0.00 0.00 41.96 38.83 1pfx s TYR 177 CO 0.06 -3.31 1.88 0.66 -1.11 0.00 0.00 175.55 173.73 1pfx h SER 178 N -2.22 1.07 0.00 2.29 4.64 -2.01 -2.05 113.55 115.26 1pfx h SER 178 Ca -0.52 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 1pfx h SER 178 Cb 1.30 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1pfx h SER 178 CO 0.46 0.85 0.36 -0.55 -0.87 0.00 0.00 176.83 177.08 1pfx h ASN 179 N 1.20 0.00 -4.77 4.97 -1.07 -1.92 -3.44 115.58 110.55 1pfx h ASN 179 Ca 0.30 0.00 -0.56 0.00 0.07 0.00 0.00 56.30 56.12 1pfx h ASN 179 Cb 0.02 0.00 -0.11 0.00 -2.07 0.00 0.00 38.32 36.15 1pfx h ASN 179 CO -0.05 0.00 -0.43 1.15 0.07 0.00 0.00 177.43 178.17 1pfx n MET 180 N -2.83 0.74 -3.67 4.14 0.00 -0.77 0.12 117.12 114.85 1pfx n MET 180 Ca -0.02 -3.27 -0.10 0.00 0.00 0.00 0.00 57.70 54.31 1pfx n MET 180 Cb 0.40 1.32 -0.04 0.00 0.00 0.00 0.00 33.22 34.90 1pfx n MET 180 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1pfx s PHE 181 N -2.82 -0.17 0.25 3.17 -0.12 -0.43 -4.72 117.98 113.15 1pfx s PHE 181 Ca 0.10 -0.15 0.06 0.00 -0.05 0.00 0.00 56.93 56.88 1pfx s PHE 181 Cb 0.00 0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 1pfx s PHE 181 CO 0.07 -0.81 0.33 0.00 -0.05 0.00 0.00 175.22 174.76 1pfx s ALA 183 N -2.04 -2.53 0.00 0.00 0.00 -0.11 -1.67 121.76 115.41 1pfx s ALA 183 Ca 0.35 2.09 0.00 0.00 0.00 0.00 0.00 51.96 54.40 1pfx s ALA 183 Cb -0.09 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1pfx s ALA 183 CO 0.28 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1pfx n GLY 184 N 3.77 2.23 3.73 0.00 0.00 -0.86 -1.99 105.19 112.07 1pfx n GLY 184 Ca -0.16 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 1pfx n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pfx s PHE 184 N -2.00 3.67 0.29 1.61 0.08 -1.26 -4.67 117.98 115.70 1pfx s PHE 184 Ca 0.00 1.65 0.01 0.00 0.12 0.00 0.00 56.93 58.72 1pfx s PHE 184 Cb 0.00 -3.19 0.55 0.00 -0.57 0.00 0.00 43.02 39.81 1pfx s PHE 184 CO 0.00 -0.30 1.86 0.45 -0.10 0.00 0.00 175.22 177.12 1pfx h HIS 185 N 5.70 1.12 -3.60 0.36 3.86 -1.95 -3.42 115.15 117.21 1pfx h HIS 185 Ca -0.43 0.03 -0.47 0.00 -1.16 0.00 0.00 60.37 58.35 1pfx h HIS 185 Cb 1.21 -0.36 0.06 0.00 1.06 0.00 0.00 27.41 29.39 1pfx h HIS 185 CO 0.65 0.48 0.18 -1.83 0.86 0.00 0.00 177.93 178.26 1pfx s GLU 186 N -5.94 2.63 -0.06 2.45 -1.05 -1.26 -3.24 118.70 112.23 1pfx s GLU 186 Ca -0.12 -0.16 -0.29 0.00 -0.15 0.00 0.00 54.97 54.26 1pfx s GLU 186 Cb 0.22 -2.25 -0.02 0.00 -0.44 0.00 0.00 34.13 31.63 1pfx s GLU 186 CO 0.81 -0.89 0.94 0.20 0.95 0.00 0.00 175.26 177.27 1pfx s GLY 187 N -4.39 2.62 0.00 -3.83 0.00 -1.26 -4.43 107.32 96.03 1pfx s GLY 187 Ca 0.56 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.67 1pfx s GLY 187 CO 0.44 1.70 0.00 0.61 0.00 0.00 0.00 173.10 175.86 1pfx n GLY 188 N 3.04 0.07 3.13 0.20 0.00 -0.61 -4.71 105.19 106.31 1pfx n GLY 188 Ca 0.06 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1pfx n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfx s LYS 188 N 0.00 1.67 0.00 1.61 1.02 -1.26 -4.03 119.74 118.75 1pfx s LYS 188 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.40 1pfx s LYS 188 Cb 0.00 -1.48 0.00 0.00 -0.52 0.00 0.00 37.83 35.83 1pfx s LYS 188 CO 0.00 0.25 0.00 -3.47 -0.92 0.00 0.00 175.35 171.21 1pfx n ASP 189 N 3.09 0.00 -4.84 2.83 2.03 -0.36 -4.10 116.55 115.20 1pfx n ASP 189 Ca -0.18 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.81 1pfx n ASP 189 Cb 0.53 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.88 1pfx n ASP 189 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1pfx s SER 190 N 0.00 6.75 0.00 1.67 1.04 -1.26 -0.10 113.70 121.79 1pfx s SER 190 Ca 0.00 1.49 0.00 0.00 0.48 0.00 0.00 55.95 57.92 1pfx s SER 190 Cb 0.00 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1pfx s SER 190 CO 0.00 -0.41 0.00 0.00 0.98 0.00 0.00 173.24 173.81 1pfx n GLN 192 N 0.00 2.52 -1.28 0.00 7.27 -1.26 -3.51 117.38 121.12 1pfx n GLN 192 Ca 0.00 0.89 0.00 0.00 0.07 0.00 0.00 57.00 57.96 1pfx n GLN 192 Cb 0.00 -2.59 0.00 0.00 2.41 0.00 0.00 30.24 30.06 1pfx n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1pfx n GLY 193 N 1.12 0.87 0.00 1.69 0.00 -1.26 -1.50 105.19 106.11 1pfx n GLY 193 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1pfx n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pfx n ASP 194 N -1.20 0.00 -4.42 1.61 8.00 -1.23 -2.13 116.55 117.18 1pfx n ASP 194 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 1pfx n ASP 194 Cb 0.41 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.52 1pfx n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1pfx n SER 195 N -0.12 -1.33 0.00 -2.24 7.64 -1.26 -0.48 113.62 115.83 1pfx n SER 195 Ca 0.00 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.73 1pfx n SER 195 Cb 0.00 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 1pfx n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pfx n GLY 196 N 1.90 2.66 2.46 0.23 0.00 0.40 -0.87 105.19 111.97 1pfx n GLY 196 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1pfx n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pfx n GLY 197 N -1.93 -3.82 3.97 -0.02 0.00 0.37 -3.21 105.19 100.55 1pfx n GLY 197 Ca 0.00 -1.29 -0.20 0.00 0.00 0.00 0.00 46.02 44.52 1pfx n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pfx s PRO 198 N -4.63 3.32 -0.31 1.61 0.04 -1.25 -2.97 135.00 130.82 1pfx s PRO 198 Ca 0.52 -0.85 -0.02 0.00 0.04 0.00 0.00 61.00 60.69 1pfx s PRO 198 Cb -0.09 -2.86 0.10 0.00 0.04 0.00 0.00 34.50 31.70 1pfx s PRO 198 CO 0.43 0.32 0.11 -1.58 0.04 0.00 0.00 177.00 176.32 1pfx s HIS 199 N -2.05 1.30 0.07 0.56 2.46 -1.13 -3.40 115.29 113.12 1pfx s HIS 199 Ca 0.37 -1.49 0.06 0.00 0.47 0.00 0.00 55.06 54.47 1pfx s HIS 199 Cb -0.09 -1.48 -0.04 0.00 -0.13 0.00 0.00 32.58 30.84 1pfx s HIS 199 CO 0.29 -0.86 -0.08 0.14 -2.47 0.00 0.00 174.74 171.76 1pfx s VAL 200 N 1.75 3.53 -0.18 0.89 -7.23 0.71 -0.66 120.40 119.21 1pfx s VAL 200 Ca 0.10 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 1pfx s VAL 200 Cb -0.17 -2.62 0.04 0.00 0.56 0.00 0.00 36.38 34.19 1pfx s VAL 200 CO -0.28 0.19 -0.10 0.42 -0.31 0.00 0.00 175.10 175.02 1pfx s THR 201 N -1.16 1.52 -0.11 5.32 -4.23 -0.19 0.58 115.64 117.36 1pfx s THR 201 Ca 0.21 -0.85 -0.22 0.00 -1.18 0.00 0.00 61.69 59.66 1pfx s THR 201 Cb -0.11 -1.58 -0.03 0.00 1.34 0.00 0.00 72.50 72.12 1pfx s THR 201 CO 0.13 0.23 0.63 -1.83 -0.54 0.00 0.00 174.62 173.23 1pfx s GLU 202 N 1.46 4.36 -0.56 3.99 -1.05 -1.26 -1.71 118.70 123.94 1pfx s GLU 202 Ca 0.01 0.72 -0.02 0.00 -0.15 0.00 0.00 54.97 55.52 1pfx s GLU 202 Cb -0.15 -3.47 0.14 0.00 -0.44 0.00 0.00 34.13 30.21 1pfx s GLU 202 CO -0.09 0.02 0.36 0.54 0.95 0.00 0.00 175.26 177.04 1pfx s VAL 203 N 1.01 3.46 -0.74 1.83 0.11 -0.24 -4.81 120.40 121.03 1pfx s VAL 203 Ca 0.33 -2.78 -0.00 0.00 -2.93 0.00 0.00 61.98 56.60 1pfx s VAL 203 Cb -0.17 -3.30 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 1pfx s VAL 203 CO 0.14 -0.82 0.70 -0.62 -3.33 0.00 0.00 175.10 171.17 1pfx n GLU 204 N 3.72 -1.34 0.00 1.54 1.02 -1.26 -3.81 120.64 120.50 1pfx n GLU 204 Ca 0.05 1.50 0.00 0.00 -0.02 0.00 0.00 57.16 58.69 1pfx n GLU 204 Cb 0.38 -5.72 0.00 0.00 -0.02 0.00 0.00 31.44 26.08 1pfx n GLU 204 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pfx n GLY 205 N -1.74 2.01 3.77 0.62 0.00 -1.26 -4.95 105.19 103.63 1pfx n GLY 205 Ca -0.00 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1pfx n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pfx s THR 206 N 0.00 2.47 -0.09 2.61 2.01 -1.25 -5.00 115.64 116.40 1pfx s THR 206 Ca 0.00 0.47 0.04 0.00 0.31 0.00 0.00 61.69 62.51 1pfx s THR 206 Cb 0.00 -3.30 -0.01 0.00 0.01 0.00 0.00 72.50 69.20 1pfx s THR 206 CO 0.00 0.11 -0.22 -0.55 -0.69 0.00 0.00 174.62 173.27 1pfx s SER 207 N -0.27 3.31 0.31 3.53 0.15 -1.26 -1.08 113.70 118.38 1pfx s SER 207 Ca 0.51 -0.48 0.10 0.00 0.70 0.00 0.00 55.95 56.79 1pfx s SER 207 Cb -0.42 -1.19 -0.05 0.00 -1.71 0.00 0.00 66.02 62.64 1pfx s SER 207 CO 0.55 0.21 -0.06 -0.36 1.20 0.00 0.00 173.24 174.78 1pfx s PHE 208 N 0.08 2.49 -0.16 3.44 0.40 -0.69 -2.87 117.98 120.66 1pfx s PHE 208 Ca -0.10 -0.37 -0.20 0.00 -0.60 0.00 0.00 56.93 55.67 1pfx s PHE 208 Cb -0.16 -1.27 -0.03 0.00 0.51 0.00 0.00 43.02 42.07 1pfx s PHE 208 CO 0.06 0.59 0.57 -1.17 0.70 0.00 0.00 175.22 175.97 1pfx s LEU 209 N -3.64 4.20 -0.48 -0.37 0.20 -0.81 -1.03 118.68 116.76 1pfx s LEU 209 Ca 0.32 0.83 0.08 0.00 0.69 0.00 0.00 54.13 56.06 1pfx s LEU 209 Cb -0.03 -2.82 0.29 0.00 -0.43 0.00 0.00 46.19 43.21 1pfx s LEU 209 CO 0.18 -0.16 0.71 0.35 -0.29 0.00 0.00 176.35 177.14 1pfx n THR 210 N 4.27 0.85 0.00 3.68 -2.24 0.17 -4.74 114.28 116.26 1pfx n THR 210 Ca -0.04 -4.74 0.00 0.00 -2.27 0.00 0.00 64.05 57.01 1pfx n THR 210 Cb 0.51 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 1pfx n THR 210 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pfx n GLY 211 N 0.67 2.35 3.82 3.38 0.00 -1.25 -4.73 105.19 109.42 1pfx n GLY 211 Ca 0.26 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 1pfx n GLY 211 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pfx s ILE 212 N -0.28 4.65 -0.48 -0.61 -1.09 -0.82 -2.83 121.20 119.75 1pfx s ILE 212 Ca 0.00 1.20 -0.29 0.00 -2.23 0.00 0.00 60.65 59.33 1pfx s ILE 212 Cb 0.00 -3.86 0.02 0.00 -1.58 0.00 0.00 42.46 37.04 1pfx s ILE 212 CO 0.00 0.30 1.23 -0.51 -1.23 0.00 0.00 174.94 174.73 1pfx s ILE 213 N -1.41 4.09 0.00 2.92 2.07 -1.16 -0.21 121.20 127.50 1pfx s ILE 213 Ca 0.39 1.09 0.00 0.00 -1.41 0.00 0.00 60.65 60.72 1pfx s ILE 213 Cb -0.17 -4.51 0.00 0.00 0.13 0.00 0.00 42.46 37.91 1pfx s ILE 213 CO 0.21 -0.99 0.00 -0.24 -1.91 0.00 0.00 174.94 172.00 1pfx n SER 214 N 8.24 0.00 -0.48 4.50 2.88 -1.24 -0.46 113.62 127.07 1pfx n SER 214 Ca 0.13 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1pfx n SER 214 Cb 0.49 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 1pfx n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1pfx n TRP 215 N -1.91 -0.12 0.00 0.66 4.27 -0.90 -4.69 117.44 114.74 1pfx n TRP 215 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1pfx n TRP 215 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 1pfx n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1pfx n GLY 216 N 0.00 3.14 3.60 -1.67 0.00 -1.26 -2.47 105.19 106.52 1pfx n GLY 216 Ca 0.00 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1pfx n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pfx s GLU 217 N -0.29 3.19 2.60 1.61 2.02 -1.26 -4.74 118.70 121.83 1pfx s GLU 217 Ca 0.00 1.57 0.00 0.00 0.02 0.00 0.00 54.97 56.56 1pfx s GLU 217 Cb 0.00 -4.27 0.00 0.00 0.10 0.00 0.00 34.13 29.96 1pfx s GLU 217 CO 0.00 -2.03 0.00 0.39 0.02 0.00 0.00 175.26 173.64 1pfx n GLU 219 N 8.59 0.00 -3.71 1.61 -0.58 -1.26 -4.92 120.64 120.37 1pfx n GLU 219 Ca 0.25 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.86 1pfx n GLU 219 Cb 0.47 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.25 1pfx n GLU 219 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pfx n ALA 221 N 1.94 -0.44 -2.90 0.00 0.00 -1.26 -4.59 120.51 113.25 1pfx n ALA 221 Ca -0.17 0.21 -0.32 0.00 0.00 0.00 0.00 53.44 53.15 1pfx n ALA 221 Cb 0.57 -1.95 -0.16 0.00 0.00 0.00 0.00 19.45 17.91 1pfx n ALA 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pfx s VAL 221 N -2.83 2.34 0.61 0.00 0.11 -1.26 -1.57 120.40 117.80 1pfx s VAL 221 Ca 0.00 -0.95 -0.18 0.00 -2.93 0.00 0.00 61.98 57.93 1pfx s VAL 221 Cb 0.00 -1.90 -0.05 0.00 -1.53 0.00 0.00 36.38 32.90 1pfx s VAL 221 CO 0.00 0.56 0.87 2.29 -3.33 0.00 0.00 175.10 175.49 1pfx n LYS 222 N 3.14 0.77 0.00 1.54 0.00 -1.26 -2.45 118.16 119.90 1pfx n LYS 222 Ca -0.18 0.30 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 1pfx n LYS 222 Cb 0.52 -2.07 0.00 0.00 -0.00 0.00 0.00 35.03 33.48 1pfx n LYS 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pfx n GLY 223 N 1.40 2.20 3.51 2.58 0.00 -1.20 -4.84 105.19 108.85 1pfx n GLY 223 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1pfx n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfx s LYS 224 N -0.41 1.87 0.04 1.61 -0.14 -1.03 -4.74 119.74 116.95 1pfx s LYS 224 Ca 0.00 -1.21 0.02 0.00 -1.36 0.00 0.00 55.97 53.42 1pfx s LYS 224 Cb 0.00 -2.13 -0.02 0.00 -1.68 0.00 0.00 37.83 34.00 1pfx s LYS 224 CO 0.00 0.47 -0.08 0.71 -0.76 0.00 0.00 175.35 175.69 1pfx s TYR 225 N -1.33 0.65 0.32 3.18 1.51 -1.26 -4.80 117.35 115.61 1pfx s TYR 225 Ca 0.20 -0.47 -0.28 0.00 -1.01 0.00 0.00 57.07 55.52 1pfx s TYR 225 Cb -0.10 -0.39 -0.09 0.00 -0.11 0.00 0.00 41.96 41.27 1pfx s TYR 225 CO 0.12 -0.08 1.11 0.20 -1.11 0.00 0.00 175.55 175.79 1pfx s GLY 226 N -1.46 2.97 -0.13 0.71 0.00 -0.84 -4.72 107.32 103.85 1pfx s GLY 226 Ca -0.09 0.88 0.01 0.00 0.00 0.00 0.00 44.72 45.53 1pfx s GLY 226 CO 0.00 1.44 -0.17 -1.50 0.00 0.00 0.00 173.10 172.87 1pfx s ILE 227 N -1.29 2.57 0.35 0.90 2.07 -1.03 -0.93 121.20 123.83 1pfx s ILE 227 Ca 0.49 -0.82 0.09 0.00 -1.41 0.00 0.00 60.65 58.99 1pfx s ILE 227 Cb -0.30 -2.05 -0.05 0.00 0.13 0.00 0.00 42.46 40.18 1pfx s ILE 227 CO 0.39 0.53 0.04 -0.31 -1.91 0.00 0.00 174.94 173.68 1pfx s TYR 228 N 0.56 2.57 -0.09 3.50 1.51 -0.09 -2.13 117.35 123.18 1pfx s TYR 228 Ca -0.11 -0.46 -0.25 0.00 -1.01 0.00 0.00 57.07 55.24 1pfx s TYR 228 Cb -0.16 -1.56 -0.03 0.00 -0.11 0.00 0.00 41.96 40.10 1pfx s TYR 228 CO 0.04 0.43 0.80 0.99 -1.11 0.00 0.00 175.55 176.70 1pfx s THR 229 N -2.52 4.95 -0.98 -0.71 2.01 0.70 -1.31 115.64 117.78 1pfx s THR 229 Ca 0.36 1.64 -0.24 0.00 0.31 0.00 0.00 61.69 63.76 1pfx s THR 229 Cb 0.00 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 1pfx s THR 229 CO 0.20 0.16 1.84 -0.75 -0.69 0.00 0.00 174.62 175.38 1pfx s LYS 230 N 1.30 2.80 0.49 4.92 2.20 0.32 -1.94 119.74 129.84 1pfx s LYS 230 Ca 0.41 -0.64 0.28 0.00 -0.36 0.00 0.00 55.97 55.66 1pfx s LYS 230 Cb -0.18 -5.16 1.37 0.00 -1.51 0.00 0.00 37.83 32.35 1pfx s LYS 230 CO 0.18 -3.20 1.83 0.28 -0.36 0.00 0.00 175.35 174.09 1pfx h VAL 231 N 6.95 0.52 -1.07 4.02 2.07 -1.85 -0.03 116.25 126.87 1pfx h VAL 231 Ca 0.15 -0.05 0.31 0.00 0.82 0.00 0.00 66.70 67.93 1pfx h VAL 231 Cb 0.99 0.36 -0.12 0.00 -1.52 0.00 0.00 31.29 31.00 1pfx h VAL 231 CO 1.26 0.03 0.65 0.28 0.02 0.00 0.00 177.57 179.81 1pfx h SER 232 N 0.14 0.49 -0.55 0.57 0.02 -1.90 0.15 113.55 112.47 1pfx h SER 232 Ca 0.51 0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 61.56 1pfx h SER 232 Cb 1.77 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 64.36 1pfx h SER 232 CO -0.09 -0.02 0.17 0.03 -1.14 0.00 0.00 176.83 175.78 1pfx h ARG 233 N 0.36 0.85 -0.09 3.45 2.47 -1.37 -3.29 114.38 116.76 1pfx h ARG 233 Ca 0.68 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 59.22 1pfx h ARG 233 Cb 1.67 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.86 1pfx h ARG 233 CO -0.45 0.77 0.00 0.66 0.56 0.00 0.00 179.97 181.51 1pfx n TYR 234 N -4.46 0.10 -0.31 3.04 4.01 -0.33 -4.65 117.16 114.56 1pfx n TYR 234 Ca 0.02 -0.10 0.17 0.00 -0.16 0.00 0.00 57.90 57.83 1pfx n TYR 234 Cb 0.20 -0.00 0.36 0.00 -0.31 0.00 0.00 39.34 39.58 1pfx n TYR 234 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1pfx h VAL 235 N 2.35 0.32 -0.68 -0.72 3.04 -0.85 0.45 116.25 120.16 1pfx h VAL 235 Ca 0.00 -0.09 -0.08 0.00 -1.01 0.00 0.00 66.70 65.52 1pfx h VAL 235 Cb 0.56 0.03 -0.03 0.00 -2.01 0.00 0.00 31.29 29.84 1pfx h VAL 235 CO 0.00 0.05 0.12 -1.13 -1.01 0.00 0.00 177.57 175.60 1pfx h ASN 236 N 0.27 1.08 -0.31 3.17 -0.73 -1.83 0.17 115.58 117.40 1pfx h ASN 236 Ca 0.62 -0.26 0.03 0.00 1.87 0.00 0.00 56.30 58.56 1pfx h ASN 236 Cb 1.30 -0.29 -0.03 0.00 0.27 0.00 0.00 38.32 39.57 1pfx h ASN 236 CO -0.63 1.06 0.13 -0.25 -0.37 0.00 0.00 177.43 177.38 1pfx h TRP 237 N 1.06 0.24 -0.20 0.67 7.01 -0.49 -0.82 115.95 123.42 1pfx h TRP 237 Ca 0.21 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.26 1pfx h TRP 237 Cb 0.44 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.40 1pfx h TRP 237 CO 0.03 0.12 -0.04 0.82 -2.79 0.00 0.00 178.44 176.59 1pfx h ILE 238 N 0.28 0.82 -0.31 2.65 2.04 -0.41 0.19 117.51 122.77 1pfx h ILE 238 Ca 0.13 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 66.05 1pfx h ILE 238 Cb 0.07 0.80 -0.08 0.00 -0.74 0.00 0.00 36.82 36.87 1pfx h ILE 238 CO -0.11 0.00 -0.34 0.50 0.00 0.00 0.00 178.15 178.21 1pfx h LYS 239 N 0.02 -0.30 -0.13 2.37 1.63 0.02 -1.21 116.57 118.97 1pfx h LYS 239 Ca 0.09 0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.79 1pfx h LYS 239 Cb 0.14 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 1pfx h LYS 239 CO -0.19 -0.20 -0.48 1.49 -3.45 0.00 0.00 179.45 176.62 1pfx h GLU 240 N -0.31 0.32 0.00 1.90 4.57 -0.81 -3.25 114.58 117.00 1pfx h GLU 240 Ca 0.14 -0.18 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 1pfx h GLU 240 Cb 0.55 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1pfx h GLU 240 CO -0.48 0.74 -0.35 -0.22 -1.18 0.00 0.00 179.01 177.51 1pfx h LYS 241 N 0.26 0.00 -0.43 1.92 1.63 0.34 -3.23 116.57 117.07 1pfx h LYS 241 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1pfx h LYS 241 Cb 0.94 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 1pfx h LYS 241 CO 0.08 0.35 0.00 0.25 -3.45 0.00 0.00 179.45 176.68 1pfx n THR 242 N -3.53 2.07 -1.76 1.00 -2.24 -0.55 -5.02 114.28 104.26 1pfx n THR 242 Ca -0.00 -1.49 -0.42 0.00 -2.27 0.00 0.00 64.05 59.87 1pfx n THR 242 Cb 0.49 -0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.66 1pfx n THR 242 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1pfx s LYS 243 N -2.29 4.11 -0.17 -0.78 1.02 -1.22 -4.94 119.74 115.47 1pfx s LYS 243 Ca 0.44 2.60 0.12 0.00 0.02 0.00 0.00 55.97 59.15 1pfx s LYS 243 Cb 0.32 -3.02 -0.23 0.00 -0.52 0.00 0.00 37.83 34.37 1pfx s LYS 243 CO 0.15 -0.66 0.18 1.28 -0.92 0.00 0.00 175.35 175.38 1pfx n LEU 244 N 2.30 0.86 0.00 3.17 4.32 -1.26 -5.14 117.00 121.25 1pfx n LEU 244 Ca 0.09 0.09 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 1pfx n LEU 244 Cb 0.37 0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1pfx n LEU 244 CO 0.64 0.57 0.00 0.35 -1.22 0.00 0.00 177.39 177.73