#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wtm n GLY -1 N 0.00 0.93 3.77 5.00 0.00 0.10 -4.99 105.19 110.00 2wtm n GLY -1 Ca 0.00 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 2wtm n GLY -1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wtm s ALA 0 N -1.10 3.17 0.30 4.61 0.00 -1.26 -1.16 121.76 126.32 2wtm s ALA 0 Ca 0.00 1.07 -0.16 0.00 0.00 0.00 0.00 51.96 52.87 2wtm s ALA 0 Cb 0.00 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.72 2wtm s ALA 0 CO 0.00 -0.66 0.64 0.00 0.00 0.00 0.00 175.76 175.74 2wtm s MET 1 N -2.30 1.83 0.05 0.00 0.00 -0.35 -4.92 119.30 113.61 2wtm s MET 1 Ca 0.58 -1.24 0.02 0.00 0.00 0.00 0.00 55.69 55.04 2wtm s MET 1 Cb -0.33 0.56 -0.03 0.00 0.00 0.00 0.00 34.83 35.03 2wtm s MET 1 CO 0.42 -0.82 -0.06 1.52 0.00 0.00 0.00 175.02 176.08 2wtm s TYR 2 N -3.51 0.62 -0.17 3.16 1.13 -1.26 -1.13 117.35 116.20 2wtm s TYR 2 Ca 0.17 -0.61 -0.01 0.00 -1.41 0.00 0.00 57.07 55.21 2wtm s TYR 2 Cb -0.04 -0.38 -0.00 0.00 -1.10 0.00 0.00 41.96 40.44 2wtm s TYR 2 CO 0.10 -0.13 -0.13 0.42 -2.51 0.00 0.00 175.55 173.29 2wtm s ILE 3 N -1.93 2.77 0.18 -3.49 1.01 -0.30 -4.91 121.20 114.53 2wtm s ILE 3 Ca -0.06 -0.72 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 2wtm s ILE 3 Cb -0.06 -2.19 -0.08 0.00 0.01 0.00 0.00 42.46 40.14 2wtm s ILE 3 CO -0.01 0.50 1.15 -1.81 0.00 0.00 0.00 174.94 174.77 2wtm s ASP 4 N 1.02 7.16 -0.18 3.58 1.01 -1.26 -0.40 116.67 127.60 2wtm s ASP 4 Ca -0.01 2.17 -0.04 0.00 0.71 0.00 0.00 52.55 55.37 2wtm s ASP 4 Cb -0.15 -2.61 0.09 0.00 1.01 0.00 0.00 42.92 41.27 2wtm s ASP 4 CO -0.03 -0.31 0.28 0.00 0.21 0.00 0.00 175.17 175.32 2wtm n ASP 6 N 5.35 -4.29 0.00 0.00 8.00 -1.26 -1.24 116.55 123.11 2wtm n ASP 6 Ca -0.06 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.61 2wtm n ASP 6 Cb 0.50 -3.64 0.00 0.00 -0.02 0.00 0.00 41.12 37.96 2wtm n ASP 6 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wtm n GLY 7 N -1.64 0.69 3.63 0.44 0.00 -1.26 -5.00 105.19 102.05 2wtm n GLY 7 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 2wtm n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wtm s ILE 8 N -2.74 2.10 -0.11 -0.61 -4.36 -0.37 -5.15 121.20 109.96 2wtm s ILE 8 Ca 0.00 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 58.44 2wtm s ILE 8 Cb 0.00 -2.95 -0.01 0.00 1.25 0.00 0.00 42.46 40.75 2wtm s ILE 8 CO 0.00 -0.03 -0.19 -0.54 0.24 0.00 0.00 174.94 174.42 2wtm s LYS 9 N -3.73 3.18 -0.30 0.37 1.02 -1.26 -1.33 119.74 117.68 2wtm s LYS 9 Ca 0.36 -0.78 -0.12 0.00 0.02 0.00 0.00 55.97 55.44 2wtm s LYS 9 Cb 0.08 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 2wtm s LYS 9 CO 0.19 0.22 0.24 -0.51 -0.92 0.00 0.00 175.35 174.56 2wtm s LEU 10 N 0.30 4.20 0.31 3.17 1.43 0.46 -4.53 118.68 124.01 2wtm s LEU 10 Ca -0.14 -0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.56 2wtm s LEU 10 Cb -0.17 -2.17 -0.10 0.00 0.03 0.00 0.00 46.19 43.78 2wtm s LEU 10 CO 0.07 -0.14 1.20 0.20 0.23 0.00 0.00 176.35 177.91 2wtm s ASN 11 N 1.74 7.00 0.24 2.29 0.01 -1.26 -1.15 114.94 123.80 2wtm s ASN 11 Ca 0.08 2.47 -0.12 0.00 -0.71 0.00 0.00 52.86 54.58 2wtm s ASN 11 Cb -0.16 -2.64 -0.01 0.00 0.41 0.00 0.00 41.25 38.85 2wtm s ASN 11 CO 0.11 -0.35 0.45 0.00 -1.51 0.00 0.00 177.10 175.80 2wtm s ALA 12 N -1.17 -0.17 -0.03 0.60 0.00 -0.28 -1.31 121.76 119.40 2wtm s ALA 12 Ca 0.47 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.55 2wtm s ALA 12 Cb -0.35 1.08 0.00 0.00 0.00 0.00 0.00 23.12 23.84 2wtm s ALA 12 CO 0.46 -0.83 -0.12 0.71 0.00 0.00 0.00 175.76 175.99 2wtm s TYR 13 N -4.02 1.21 -0.21 0.00 2.02 0.36 -1.21 117.35 115.50 2wtm s TYR 13 Ca 0.23 -0.32 -0.06 0.00 -0.37 0.00 0.00 57.07 56.55 2wtm s TYR 13 Cb -0.00 -0.84 -0.03 0.00 -0.40 0.00 0.00 41.96 40.69 2wtm s TYR 13 CO 0.09 -0.12 0.02 -1.17 -1.57 0.00 0.00 175.55 172.79 2wtm s LEU 14 N 0.16 3.36 -0.13 -1.29 2.96 -0.31 -1.20 118.68 122.23 2wtm s LEU 14 Ca -0.04 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 2wtm s LEU 14 Cb -0.10 -1.86 0.02 0.00 0.50 0.00 0.00 46.19 44.75 2wtm s LEU 14 CO 0.01 0.05 -0.14 -1.81 -1.32 0.00 0.00 176.35 173.14 2wtm s ASP 15 N 1.08 2.51 0.28 3.68 1.01 -0.35 0.03 116.67 124.92 2wtm s ASP 15 Ca 0.03 -0.44 -0.05 0.00 0.71 0.00 0.00 52.55 52.80 2wtm s ASP 15 Cb -0.14 -1.10 -0.05 0.00 1.01 0.00 0.00 42.92 42.63 2wtm s ASP 15 CO 0.02 -0.03 0.55 -0.04 0.21 0.00 0.00 175.17 175.88 2wtm s MET 16 N 1.26 3.64 0.59 8.23 -1.94 -1.26 -0.89 119.30 128.92 2wtm s MET 16 Ca -0.01 0.02 -0.20 0.00 -1.71 0.00 0.00 55.69 53.79 2wtm s MET 16 Cb -0.14 -2.65 -0.04 0.00 2.01 0.00 0.00 34.83 34.01 2wtm s MET 16 CO -0.06 0.22 1.22 -2.30 -0.01 0.00 0.00 175.02 174.10 2wtm n PRO 17 N -0.87 1.29 0.08 2.03 -0.02 -1.26 -4.76 135.00 131.49 2wtm n PRO 17 Ca -0.02 0.49 0.12 0.00 -2.02 0.00 0.00 63.50 62.07 2wtm n PRO 17 Cb 0.54 -2.43 0.60 0.00 -0.02 0.00 0.00 33.50 32.18 2wtm n PRO 17 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2wtm h LYS 18 N 0.91 0.15 0.00 -0.52 -0.00 -1.98 0.51 116.57 115.65 2wtm h LYS 18 Ca -0.50 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.14 2wtm h LYS 18 Cb 1.33 -0.03 0.00 0.00 -0.00 0.00 0.00 32.23 33.53 2wtm h LYS 18 CO 0.54 0.10 0.00 0.27 -0.00 0.00 0.00 179.45 180.36 2wtm n ASN 19 N -4.47 0.00 -3.40 7.07 6.94 -1.26 -4.94 115.26 115.20 2wtm n ASN 19 Ca 0.04 -0.13 -0.19 0.00 -0.02 0.00 0.00 54.58 54.28 2wtm n ASN 19 Cb 0.29 -0.24 0.05 0.00 -2.36 0.00 0.00 39.78 37.51 2wtm n ASN 19 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2wtm n ASN 20 N -1.24 -6.30 -4.77 0.53 5.03 0.17 -4.92 115.26 103.76 2wtm n ASN 20 Ca 0.11 -0.72 -0.37 0.00 0.87 0.00 0.00 54.58 54.47 2wtm n ASN 20 Cb 0.16 -4.39 -0.00 0.00 -1.02 0.00 0.00 39.78 34.52 2wtm n ASN 20 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2wtm s PRO 21 N -4.75 3.71 0.31 3.52 0.04 -1.26 -4.94 135.00 131.63 2wtm s PRO 21 Ca 0.36 1.82 0.01 0.00 0.04 0.00 0.00 61.00 63.23 2wtm s PRO 21 Cb -0.09 -2.40 0.51 0.00 0.04 0.00 0.00 34.50 32.56 2wtm s PRO 21 CO 0.79 -0.60 1.91 1.49 0.04 0.00 0.00 177.00 180.63 2wtm h GLU 22 N 2.02 0.81 -3.32 4.56 4.81 -1.94 -3.44 114.58 118.09 2wtm h GLU 22 Ca -0.49 -0.11 -0.24 0.00 -0.13 0.00 0.00 59.36 58.38 2wtm h GLU 22 Cb 1.25 -0.15 -0.31 0.00 0.63 0.00 0.00 28.75 30.17 2wtm h GLU 22 CO 0.60 0.65 -0.61 0.15 -0.73 0.00 0.00 179.01 179.07 2wtm s LYS 23 N -5.42 0.08 0.08 1.92 -0.14 -1.26 -4.28 119.74 110.73 2wtm s LYS 23 Ca -0.10 0.32 -0.26 0.00 -1.36 0.00 0.00 55.97 54.57 2wtm s LYS 23 Cb 0.16 -0.15 0.08 0.00 -1.68 0.00 0.00 37.83 36.24 2wtm s LYS 23 CO 0.78 -0.14 0.79 0.00 -0.76 0.00 0.00 175.35 176.02 2wtm s PRO 25 N -3.40 1.41 -0.01 0.00 0.02 -1.26 -1.62 135.00 130.14 2wtm s PRO 25 Ca 0.05 0.51 0.01 0.00 0.02 0.00 0.00 61.00 61.60 2wtm s PRO 25 Cb -0.01 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.66 2wtm s PRO 25 CO -0.08 -2.06 -0.05 -1.17 -0.33 0.00 0.00 177.00 173.31 2wtm s LEU 26 N -6.02 1.81 -0.21 -5.54 2.96 -0.13 -1.04 118.68 110.52 2wtm s LEU 26 Ca 0.63 -0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 54.41 2wtm s LEU 26 Cb -0.15 -0.30 -0.01 0.00 0.50 0.00 0.00 46.19 46.22 2wtm s LEU 26 CO 0.55 0.03 -0.06 0.00 -1.32 0.00 0.00 176.35 175.55 2wtm s ILE 28 N 1.38 4.09 -0.14 0.00 1.01 -0.00 -0.91 121.20 126.62 2wtm s ILE 28 Ca 0.05 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.26 2wtm s ILE 28 Cb -0.14 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.35 2wtm s ILE 28 CO -0.03 0.15 -0.13 -0.63 0.00 0.00 0.00 174.94 174.31 2wtm s ILE 29 N 0.77 1.45 -0.30 2.92 1.01 -0.11 -0.13 121.20 126.80 2wtm s ILE 29 Ca 0.56 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.63 2wtm s ILE 29 Cb -0.28 -1.39 0.05 0.00 0.01 0.00 0.00 42.46 40.85 2wtm s ILE 29 CO 0.30 0.43 0.00 -0.63 0.00 0.00 0.00 174.94 175.05 2wtm s ILE 30 N 1.54 2.95 1.04 2.92 -1.09 -0.14 -1.32 121.20 127.10 2wtm s ILE 30 Ca 0.05 -1.45 -0.16 0.00 -2.23 0.00 0.00 60.65 56.86 2wtm s ILE 30 Cb -0.13 -2.72 0.21 0.00 -1.58 0.00 0.00 42.46 38.24 2wtm s ILE 30 CO -0.10 -0.14 1.17 -1.38 -1.23 0.00 0.00 174.94 173.26 2wtm s HIS 31 N 1.23 1.50 0.15 3.97 -3.43 -1.25 -1.80 115.29 115.66 2wtm s HIS 31 Ca -0.04 0.59 -0.01 0.00 -0.80 0.00 0.00 55.06 54.80 2wtm s HIS 31 Cb -0.20 -3.59 0.03 0.00 -1.43 0.00 0.00 32.58 27.39 2wtm s HIS 31 CO -0.02 -3.04 0.21 0.41 -2.00 0.00 0.00 174.74 170.30 2wtm n GLY 32 N -2.06 -0.04 0.12 -1.38 0.00 -1.14 -3.81 105.19 96.88 2wtm n GLY 32 Ca 0.11 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.15 2wtm n GLY 32 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2wtm h PHE 33 N -0.71 -0.19 -0.00 1.61 3.57 -1.90 -3.02 116.94 116.29 2wtm h PHE 33 Ca -0.07 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2wtm h PHE 33 Cb 0.22 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.02 2wtm h PHE 33 CO 0.00 0.07 -0.07 0.25 -2.23 0.00 0.00 178.31 176.33 2wtm n THR 34 N -5.07 0.00 -2.84 4.41 -2.24 -1.26 -4.94 114.28 102.33 2wtm n THR 34 Ca -0.09 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2wtm n THR 34 Cb 0.19 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 2wtm n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wtm n GLY 35 N 1.32 1.78 3.29 3.38 0.00 -1.14 -5.14 105.19 108.68 2wtm n GLY 35 Ca 0.13 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 2wtm n GLY 35 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2wtm s HIS 36 N 0.96 -0.12 0.10 1.61 -3.43 -1.26 -4.85 115.29 108.30 2wtm s HIS 36 Ca 0.00 -0.22 0.34 0.00 -0.80 0.00 0.00 55.06 54.37 2wtm s HIS 36 Cb 0.00 0.18 1.46 0.00 -1.43 0.00 0.00 32.58 32.79 2wtm s HIS 36 CO 0.00 -0.66 2.00 0.77 -2.00 0.00 0.00 174.74 174.84 2wtm h SER 37 N 2.45 0.00 -0.09 7.38 0.02 -1.97 -2.47 113.55 118.87 2wtm h SER 37 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2wtm h SER 37 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2wtm h SER 37 CO 0.49 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.56 2wtm n GLU 38 N -2.97 1.90 -1.83 3.45 4.71 -1.26 -4.30 120.64 120.34 2wtm n GLU 38 Ca 0.00 -1.33 -0.34 0.00 -0.01 0.00 0.00 57.16 55.49 2wtm n GLU 38 Cb 0.26 -1.46 0.05 0.00 -1.01 0.00 0.00 31.44 29.28 2wtm n GLU 38 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 2wtm s GLU 39 N -1.91 2.80 0.25 3.49 -1.05 -0.93 -4.73 118.70 116.63 2wtm s GLU 39 Ca 0.35 1.57 -0.05 0.00 -0.15 0.00 0.00 54.97 56.69 2wtm s GLU 39 Cb 0.20 -1.93 0.33 0.00 -0.44 0.00 0.00 34.13 32.29 2wtm s GLU 39 CO 0.31 -1.28 1.87 0.07 0.95 0.00 0.00 175.26 177.18 2wtm h ARG 40 N 0.33 1.05 0.00 -4.83 0.11 -1.93 -0.50 114.38 108.61 2wtm h ARG 40 Ca -0.48 -0.06 -0.07 0.00 0.10 0.00 0.00 59.98 59.47 2wtm h ARG 40 Cb 1.27 -0.24 -0.01 0.00 1.11 0.00 0.00 29.97 32.10 2wtm h ARG 40 CO 0.54 0.69 -0.32 1.12 0.10 0.00 0.00 179.97 182.11 2wtm h HIS 41 N 1.08 0.00 0.13 4.08 2.07 -1.92 -1.34 115.15 119.25 2wtm h HIS 41 Ca 0.38 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.67 2wtm h HIS 41 Cb 0.10 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.09 2wtm h HIS 41 CO -0.02 0.32 -1.11 0.82 -3.07 0.00 0.00 177.93 174.87 2wtm h ILE 42 N 0.00 1.27 -0.74 6.12 1.08 -1.60 -3.30 117.51 120.33 2wtm h ILE 42 Ca -0.00 -2.46 -0.02 0.00 -0.39 0.00 0.00 64.86 61.98 2wtm h ILE 42 Cb 0.67 2.95 -0.03 0.00 -3.07 0.00 0.00 36.82 37.33 2wtm h ILE 42 CO 0.04 0.70 0.38 0.58 -0.69 0.00 0.00 178.15 179.16 2wtm h VAL 43 N -0.36 1.23 -0.57 1.67 2.07 -1.06 -0.47 116.25 118.75 2wtm h VAL 43 Ca -0.22 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 66.72 2wtm h VAL 43 Cb 1.69 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 2wtm h VAL 43 CO 0.10 0.27 0.29 0.00 0.02 0.00 0.00 177.57 178.25 2wtm h ALA 44 N 1.19 0.75 -0.57 1.67 0.00 -1.40 0.15 119.26 121.06 2wtm h ALA 44 Ca 0.26 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 2wtm h ALA 44 Cb 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2wtm h ALA 44 CO -0.04 -0.05 0.16 0.28 0.00 0.00 0.00 179.25 179.61 2wtm h VAL 45 N 0.56 1.24 -0.26 0.00 2.07 -1.50 -1.94 116.25 116.42 2wtm h VAL 45 Ca 0.26 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 2wtm h VAL 45 Cb 0.18 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2wtm h VAL 45 CO -0.18 0.31 0.14 -0.61 0.02 0.00 0.00 177.57 177.25 2wtm h GLN 46 N 0.80 0.36 -0.86 1.57 -0.00 -0.53 -1.80 115.11 114.64 2wtm h GLN 46 Ca 0.18 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.76 2wtm h GLN 46 Cb 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 27.48 27.67 2wtm h GLN 46 CO -0.00 0.32 0.44 0.93 0.00 0.00 0.00 178.83 180.52 2wtm h GLU 47 N 0.30 1.23 -0.88 1.69 5.08 -0.70 -1.17 114.58 120.13 2wtm h GLU 47 Ca 0.09 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2wtm h GLU 47 Cb 0.06 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 2wtm h GLU 47 CO -0.01 0.92 0.49 1.15 -1.00 0.00 0.00 179.01 180.55 2wtm h THR 48 N 1.22 1.26 -0.26 1.13 2.02 -1.05 -1.81 112.91 115.42 2wtm h THR 48 Ca 0.30 -0.63 -0.12 0.00 0.77 0.00 0.00 66.41 66.73 2wtm h THR 48 Cb 0.08 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.55 2wtm h THR 48 CO -0.04 0.29 -0.31 -0.07 0.37 0.00 0.00 175.52 175.75 2wtm h LEU 49 N 1.23 0.72 -1.30 2.58 3.38 -0.96 -2.88 115.31 118.07 2wtm h LEU 49 Ca 0.31 -0.49 0.08 0.00 0.09 0.00 0.00 57.88 57.86 2wtm h LEU 49 Cb 0.02 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 2wtm h LEU 49 CO -0.05 1.07 0.52 0.78 0.09 0.00 0.00 178.44 180.85 2wtm h ASN 50 N 0.39 0.72 0.46 -0.43 -0.26 -0.94 -0.61 115.58 114.91 2wtm h ASN 50 Ca 0.03 0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.74 2wtm h ASN 50 Cb 0.89 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 38.00 2wtm h ASN 50 CO 0.07 0.45 -0.18 -0.33 -1.06 0.00 0.00 177.43 176.38 2wtm h GLU 51 N 0.81 0.00 -0.75 0.81 5.08 -1.13 -2.24 114.58 117.17 2wtm h GLU 51 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2wtm h GLU 51 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2wtm h GLU 51 CO -0.13 0.18 0.00 0.44 -1.00 0.00 0.00 179.01 178.50 2wtm n ILE 52 N -3.70 1.05 -0.21 3.13 -5.35 -0.93 -4.94 119.36 108.40 2wtm n ILE 52 Ca -0.01 -1.01 0.00 0.00 -0.27 0.00 0.00 62.75 61.46 2wtm n ILE 52 Cb 0.30 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 38.68 2wtm n ILE 52 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wtm n GLY 53 N 1.66 0.89 3.48 3.28 0.00 -0.84 -5.06 105.19 108.61 2wtm n GLY 53 Ca 0.25 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2wtm n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wtm s VAL 54 N -2.00 4.58 0.74 1.61 1.01 -0.28 -4.25 120.40 121.80 2wtm s VAL 54 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 2wtm s VAL 54 Cb 0.00 -3.16 0.04 0.00 0.00 0.00 0.00 36.38 33.26 2wtm s VAL 54 CO 0.00 0.31 1.10 0.00 0.00 0.00 0.00 175.10 176.51 2wtm s ALA 55 N 1.65 2.30 0.05 5.51 0.00 -0.20 -2.55 121.76 128.53 2wtm s ALA 55 Ca 0.06 0.37 0.04 0.00 0.00 0.00 0.00 51.96 52.43 2wtm s ALA 55 Cb -0.15 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 2wtm s ALA 55 CO 0.06 -1.64 -0.11 0.95 0.00 0.00 0.00 175.76 175.02 2wtm s THR 56 N -2.71 0.87 -0.38 0.00 -4.23 -0.07 -0.50 115.64 108.62 2wtm s THR 56 Ca 0.63 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.00 2wtm s THR 56 Cb -0.18 -0.86 0.12 0.00 1.34 0.00 0.00 72.50 72.92 2wtm s THR 56 CO 0.51 -0.25 0.17 -0.22 -0.54 0.00 0.00 174.62 174.29 2wtm s LEU 57 N -1.57 2.34 0.02 4.79 2.96 -0.09 -1.21 118.68 125.93 2wtm s LEU 57 Ca -0.05 -2.17 -0.29 0.00 -0.22 0.00 0.00 54.13 51.40 2wtm s LEU 57 Cb -0.10 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 2wtm s LEU 57 CO 0.01 -0.33 0.95 -0.13 -1.32 0.00 0.00 176.35 175.53 2wtm s ARG 58 N 0.96 4.58 -0.02 1.98 0.52 -0.34 -0.94 118.95 125.70 2wtm s ARG 58 Ca 0.14 1.37 -0.05 0.00 -0.52 0.00 0.00 55.73 56.68 2wtm s ARG 58 Cb -0.21 -3.43 0.00 0.00 0.52 0.00 0.00 34.95 31.83 2wtm s ARG 58 CO -0.10 0.04 0.10 0.00 0.02 0.00 0.00 175.30 175.36 2wtm s ALA 59 N 0.70 -0.24 0.23 2.13 0.00 -0.43 -0.49 121.76 123.66 2wtm s ALA 59 Ca 0.49 0.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.19 2wtm s ALA 59 Cb -0.21 -0.04 -0.09 0.00 0.00 0.00 0.00 23.12 22.78 2wtm s ALA 59 CO 0.28 -0.12 1.16 -0.51 0.00 0.00 0.00 175.76 176.56 2wtm s ASP 60 N -0.65 7.14 -0.01 0.00 1.01 -0.43 -3.94 116.67 119.78 2wtm s ASP 60 Ca -0.07 2.28 0.14 0.00 0.71 0.00 0.00 52.55 55.61 2wtm s ASP 60 Cb -0.04 -2.62 0.44 0.00 1.01 0.00 0.00 42.92 41.70 2wtm s ASP 60 CO 0.00 -0.28 1.35 1.15 0.21 0.00 0.00 175.17 177.60 2wtm n MET 61 N 1.82 2.24 -3.94 8.23 0.00 -1.26 -4.69 117.12 119.53 2wtm n MET 61 Ca 0.02 -1.76 -0.09 0.00 0.00 0.00 0.00 57.70 55.86 2wtm n MET 61 Cb 0.45 -1.43 -0.07 0.00 0.00 0.00 0.00 33.22 32.17 2wtm n MET 61 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 2wtm s TYR 62 N -1.42 0.35 -0.14 3.17 -0.85 -1.26 -4.27 117.35 112.93 2wtm s TYR 62 Ca 0.33 -0.72 -0.24 0.00 -0.52 0.00 0.00 57.07 55.92 2wtm s TYR 62 Cb 0.18 -0.04 -0.25 0.00 0.38 0.00 0.00 41.96 42.22 2wtm s TYR 62 CO 0.21 -0.70 0.63 0.78 -1.52 0.00 0.00 175.55 174.95 2wtm h GLY 63 N 2.56 0.09 -5.22 5.49 0.00 -1.90 -3.43 103.07 100.66 2wtm h GLY 63 Ca -0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 2wtm h GLY 63 CO 0.49 0.21 -0.04 1.34 0.00 0.00 0.00 176.54 178.54 2wtm n ASP 73 N -4.39 -0.16 -4.74 0.19 -0.08 -1.26 -5.05 116.55 101.05 2wtm n ASP 73 Ca -0.18 -0.03 -0.40 0.00 -1.51 0.00 0.00 54.79 52.66 2wtm n ASP 73 Cb 0.64 -0.05 -0.06 0.00 2.34 0.00 0.00 41.12 43.99 2wtm n ASP 73 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2wtm s HIS 74 N -2.23 3.94 0.09 -0.67 3.76 -1.26 -4.99 115.29 113.93 2wtm s HIS 74 Ca 0.00 1.88 -0.02 0.00 -0.15 0.00 0.00 55.06 56.77 2wtm s HIS 74 Cb -0.00 -3.00 -0.03 0.00 1.11 0.00 0.00 32.58 30.65 2wtm s HIS 74 CO 0.03 0.38 0.04 0.95 -0.85 0.00 0.00 174.74 175.29 2wtm s THR 75 N -0.84 0.17 0.51 1.30 -4.23 -1.26 -3.88 115.64 107.40 2wtm s THR 75 Ca 0.43 -1.74 0.24 0.00 -1.18 0.00 0.00 61.69 59.43 2wtm s THR 75 Cb -0.25 -1.68 0.29 0.00 1.34 0.00 0.00 72.50 72.20 2wtm s THR 75 CO 0.31 -0.75 2.14 -0.07 -0.54 0.00 0.00 174.62 175.71 2wtm h LEU 76 N 2.98 0.00 -0.44 4.79 3.38 -1.92 -1.46 115.31 122.64 2wtm h LEU 76 Ca -0.34 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 2wtm h LEU 76 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2wtm h LEU 76 CO 0.62 0.06 -0.09 -0.26 0.09 0.00 0.00 178.44 178.86 2wtm h PHE 77 N 0.00 0.95 -0.41 1.13 0.04 -1.96 -1.02 116.94 115.67 2wtm h PHE 77 Ca -0.00 -0.20 -0.04 0.00 2.80 0.00 0.00 57.97 60.53 2wtm h PHE 77 Cb 0.15 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 2wtm h PHE 77 CO 0.00 0.94 0.09 0.87 -0.60 0.00 0.00 178.31 179.62 2wtm h LYS 78 N 0.68 0.66 -0.60 1.51 1.57 -1.79 -1.54 116.57 117.05 2wtm h LYS 78 Ca 0.11 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 2wtm h LYS 78 Cb 0.63 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 2wtm h LYS 78 CO 0.04 0.68 0.17 -1.49 -0.57 0.00 0.00 179.45 178.28 2wtm h TRP 79 N 0.52 1.00 -0.38 -1.35 6.55 -1.18 -0.69 115.95 120.40 2wtm h TRP 79 Ca 0.13 -0.11 -0.09 0.00 0.95 0.00 0.00 58.89 59.77 2wtm h TRP 79 Cb 0.32 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.33 2wtm h TRP 79 CO 0.02 0.83 -0.11 -0.07 -1.05 0.00 0.00 178.44 178.06 2wtm h LEU 80 N 0.87 0.76 -0.52 -4.49 3.38 -1.18 0.50 115.31 114.63 2wtm h LEU 80 Ca 0.19 -0.37 0.09 0.00 0.09 0.00 0.00 57.88 57.88 2wtm h LEU 80 Cb 0.32 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 2wtm h LEU 80 CO -0.00 0.96 0.12 0.74 0.09 0.00 0.00 178.44 180.35 2wtm h THR 81 N 0.56 0.72 -0.64 0.22 2.02 -0.94 -0.33 112.91 114.52 2wtm h THR 81 Ca 0.10 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 2wtm h THR 81 Cb 0.63 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2wtm h THR 81 CO 0.04 0.05 0.12 0.78 0.37 0.00 0.00 175.52 176.88 2wtm h ASN 82 N 0.26 1.01 -0.24 4.18 2.35 -0.80 -2.49 115.58 119.86 2wtm h ASN 82 Ca 0.26 -0.25 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 2wtm h ASN 82 Cb 0.35 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 2wtm h ASN 82 CO -0.33 1.00 -0.09 0.40 -1.65 0.00 0.00 177.43 176.76 2wtm h ILE 83 N 0.97 1.24 -0.44 2.81 2.04 -0.41 -0.93 117.51 122.79 2wtm h ILE 83 Ca 0.20 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 2wtm h ILE 83 Cb 0.42 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2wtm h ILE 83 CO 0.01 0.35 0.26 -0.07 0.00 0.00 0.00 178.15 178.69 2wtm h LEU 84 N 0.57 0.51 -0.69 1.44 3.38 -0.87 0.22 115.31 119.87 2wtm h LEU 84 Ca 0.11 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 2wtm h LEU 84 Cb 0.49 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2wtm h LEU 84 CO 0.03 0.40 -0.22 0.00 0.09 0.00 0.00 178.44 178.74 2wtm h ALA 85 N 1.69 0.88 -0.34 1.53 0.00 -0.81 0.31 119.26 122.51 2wtm h ALA 85 Ca 0.16 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2wtm h ALA 85 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wtm h ALA 85 CO -0.03 0.63 -0.10 0.28 0.00 0.00 0.00 179.25 180.03 2wtm h VAL 86 N 0.68 1.28 -0.29 0.00 2.07 -0.12 -1.35 116.25 118.53 2wtm h VAL 86 Ca 0.09 -1.17 0.03 0.00 0.82 0.00 0.00 66.70 66.47 2wtm h VAL 86 Cb 0.73 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 2wtm h VAL 86 CO 0.06 0.38 0.09 0.58 0.02 0.00 0.00 177.57 178.70 2wtm h VAL 87 N 0.46 0.91 -0.60 2.57 2.07 -0.70 -0.67 116.25 120.30 2wtm h VAL 87 Ca 0.09 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 2wtm h VAL 87 Cb 0.61 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2wtm h VAL 87 CO 0.04 0.04 0.16 0.44 0.02 0.00 0.00 177.57 178.26 2wtm h ASP 88 N 0.21 0.86 -0.01 0.57 3.32 -0.82 -0.00 116.42 120.55 2wtm h ASP 88 Ca 0.13 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 2wtm h ASP 88 Cb 0.10 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 2wtm h ASP 88 CO -0.14 0.83 0.00 0.22 -1.72 0.00 0.00 179.24 178.43 2wtm h TYR 89 N 0.88 0.01 -0.35 4.55 3.20 -0.98 -3.05 116.97 121.23 2wtm h TYR 89 Ca 0.19 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.08 2wtm h TYR 89 Cb 0.30 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2wtm h TYR 89 CO 0.02 0.10 0.23 0.00 -1.64 0.00 0.00 178.16 176.88 2wtm h ALA 90 N 0.91 1.81 0.00 1.82 0.00 -0.43 -1.94 119.26 121.42 2wtm h ALA 90 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wtm h ALA 90 Cb 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wtm h ALA 90 CO -0.00 0.16 0.00 0.87 0.00 0.00 0.00 179.25 180.28 2wtm h LYS 91 N 0.43 0.00 -0.00 0.00 1.57 -0.91 -2.44 116.57 115.22 2wtm h LYS 91 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2wtm h LYS 91 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2wtm h LYS 91 CO -0.03 0.00 -0.61 1.63 -0.57 0.00 0.00 179.45 179.87 2wtm n LYS 92 N -2.91 0.06 -2.40 3.15 5.02 -0.73 -4.90 118.16 115.45 2wtm n LYS 92 Ca 0.00 -0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.83 2wtm n LYS 92 Cb 0.26 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 2wtm n LYS 92 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wtm s LEU 93 N -2.97 4.27 0.39 -0.35 1.43 -0.92 -4.92 118.68 115.61 2wtm s LEU 93 Ca 0.11 1.85 0.12 0.00 -1.03 0.00 0.00 54.13 55.19 2wtm s LEU 93 Cb 0.17 -3.55 0.80 0.00 0.03 0.00 0.00 46.19 43.63 2wtm s LEU 93 CO 0.73 -0.64 1.88 0.44 0.23 0.00 0.00 176.35 178.99 2wtm h ASP 94 N 7.69 0.07 0.92 2.29 3.45 -1.90 -2.62 116.42 126.31 2wtm h ASP 94 Ca -0.34 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.11 2wtm h ASP 94 Cb 1.15 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.91 2wtm h ASP 94 CO 0.90 0.34 0.00 2.22 -1.57 0.00 0.00 179.24 181.13 2wtm n PHE 95 N -4.20 0.86 -2.52 4.55 1.16 -1.26 -4.86 117.46 111.19 2wtm n PHE 95 Ca -0.02 0.32 -0.41 0.00 -1.87 0.00 0.00 57.45 55.46 2wtm n PHE 95 Cb 0.33 -1.01 -0.04 0.00 -1.61 0.00 0.00 39.48 37.16 2wtm n PHE 95 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2wtm s VAL 96 N -3.27 4.07 0.00 1.97 1.01 -0.99 -1.11 120.40 122.08 2wtm s VAL 96 Ca 0.06 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.68 2wtm s VAL 96 Cb 0.10 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2wtm s VAL 96 CO 0.45 0.22 0.00 0.35 0.00 0.00 0.00 175.10 176.11 2wtm n THR 97 N 3.05 0.00 -3.93 3.92 -2.24 -0.64 -4.86 114.28 109.58 2wtm n THR 97 Ca 0.05 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.53 2wtm n THR 97 Cb 0.47 -0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 68.13 2wtm n THR 97 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2wtm s ASP 98 N -1.00 6.35 -0.10 3.42 1.01 -1.26 -4.98 116.67 120.10 2wtm s ASP 98 Ca 0.00 0.24 0.02 0.00 0.71 0.00 0.00 52.55 53.52 2wtm s ASP 98 Cb 0.00 -1.94 -0.01 0.00 1.01 0.00 0.00 42.92 41.97 2wtm s ASP 98 CO 0.00 0.14 -0.17 -0.63 0.21 0.00 0.00 175.17 174.72 2wtm s ILE 99 N -1.57 2.73 0.26 0.77 1.01 -1.26 -0.96 121.20 122.19 2wtm s ILE 99 Ca 0.35 -0.79 0.12 0.00 0.00 0.00 0.00 60.65 60.32 2wtm s ILE 99 Cb -0.13 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 2wtm s ILE 99 CO 0.28 0.55 -0.21 -0.31 0.00 0.00 0.00 174.94 175.25 2wtm s TYR 100 N 0.12 2.28 -0.02 3.97 2.02 -0.35 -0.60 117.35 124.75 2wtm s TYR 100 Ca -0.08 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.30 2wtm s TYR 100 Cb -0.15 -1.01 0.01 0.00 -0.40 0.00 0.00 41.96 40.40 2wtm s TYR 100 CO 0.05 0.67 -0.07 -1.64 -1.57 0.00 0.00 175.55 173.00 2wtm s MET 101 N -3.36 0.74 0.02 -0.62 -1.94 -0.97 -0.82 119.30 112.35 2wtm s MET 101 Ca 0.28 -0.21 0.01 0.00 -1.71 0.00 0.00 55.69 54.06 2wtm s MET 101 Cb -0.05 -0.72 -0.02 0.00 2.01 0.00 0.00 34.83 36.05 2wtm s MET 101 CO 0.14 0.06 -0.05 0.00 -0.01 0.00 0.00 175.02 175.16 2wtm s ALA 102 N 0.28 0.36 0.04 3.03 0.00 0.81 -0.68 121.76 125.60 2wtm s ALA 102 Ca -0.04 -0.54 -0.26 0.00 0.00 0.00 0.00 51.96 51.12 2wtm s ALA 102 Cb -0.08 0.04 0.07 0.00 0.00 0.00 0.00 23.12 23.15 2wtm s ALA 102 CO 0.00 -0.04 0.61 0.20 0.00 0.00 0.00 175.76 176.54 2wtm s GLY 103 N -1.12 -0.56 -0.09 0.00 0.00 -0.84 -0.96 107.32 103.75 2wtm s GLY 103 Ca -0.09 0.86 0.01 0.00 0.00 0.00 0.00 44.72 45.51 2wtm s GLY 103 CO -0.00 0.53 -0.12 -1.58 0.00 0.00 0.00 173.10 171.92 2wtm s HIS 104 N -2.36 2.79 0.00 1.90 2.46 -0.75 -0.13 115.29 119.20 2wtm s HIS 104 Ca -0.06 -0.36 0.00 0.00 0.47 0.00 0.00 55.06 55.11 2wtm s HIS 104 Cb -0.01 -1.75 0.00 0.00 -0.13 0.00 0.00 32.58 30.69 2wtm s HIS 104 CO -0.01 0.01 0.00 0.45 -2.47 0.00 0.00 174.74 172.73 2wtm n SER 105 N 2.91 0.00 0.25 9.88 2.88 -0.08 -0.51 113.62 128.95 2wtm n SER 105 Ca -0.18 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.49 2wtm n SER 105 Cb 0.52 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.56 2wtm n SER 105 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2wtm h GLN 106 N 0.00 0.00 -0.20 -1.46 4.20 -1.89 -0.09 115.11 115.67 2wtm h GLN 106 Ca 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 2wtm h GLN 106 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2wtm h GLN 106 CO 0.00 0.13 -0.28 0.78 -0.67 0.00 0.00 178.83 178.80 2wtm h GLY 107 N 1.88 0.42 0.81 3.46 0.00 -0.90 -0.91 103.07 107.83 2wtm h GLY 107 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2wtm h GLY 107 CO 0.02 0.31 0.02 -1.33 0.00 0.00 0.00 176.54 175.56 2wtm h GLY 108 N 1.04 0.20 0.68 4.60 0.00 -0.77 -1.02 103.07 107.79 2wtm h GLY 108 Ca 0.05 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.29 2wtm h GLY 108 CO 0.05 0.12 0.15 -2.00 0.00 0.00 0.00 176.54 174.86 2wtm h LEU 109 N -0.03 0.17 -1.12 3.11 5.85 -1.18 -1.83 115.31 120.28 2wtm h LEU 109 Ca 0.04 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2wtm h LEU 109 Cb 0.27 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 2wtm h LEU 109 CO 0.00 0.14 0.31 0.28 -0.34 0.00 0.00 178.44 178.83 2wtm h SER 110 N 0.32 0.84 1.11 1.25 0.02 -0.98 -1.51 113.55 114.59 2wtm h SER 110 Ca 0.18 -0.09 -0.13 0.00 -0.84 0.00 0.00 61.79 60.91 2wtm h SER 110 Cb 0.15 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2wtm h SER 110 CO -0.18 0.71 -0.62 -0.37 -1.14 0.00 0.00 176.83 175.23 2wtm h VAL 111 N 0.92 1.17 -0.62 2.27 -1.51 -1.07 0.74 116.25 118.15 2wtm h VAL 111 Ca 0.23 -2.37 0.04 0.00 -1.23 0.00 0.00 66.70 63.37 2wtm h VAL 111 Cb 0.10 2.39 -0.05 0.00 -2.13 0.00 0.00 31.29 31.60 2wtm h VAL 111 CO -0.03 0.61 0.36 0.24 -1.23 0.00 0.00 177.57 177.52 2wtm h MET 112 N 0.00 0.67 0.02 5.19 2.07 -0.49 0.17 114.93 122.56 2wtm h MET 112 Ca -0.01 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.58 2wtm h MET 112 Cb 1.34 -0.15 0.00 0.00 -1.87 0.00 0.00 31.60 30.92 2wtm h MET 112 CO 0.08 0.44 -0.01 -0.07 1.07 0.00 0.00 176.91 178.42 2wtm h LEU 113 N 0.69 -0.03 -0.91 1.22 3.38 -1.00 -3.18 115.31 115.47 2wtm h LEU 113 Ca 0.26 -0.42 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 2wtm h LEU 113 Cb 0.10 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2wtm h LEU 113 CO -0.14 0.41 -0.07 0.00 0.09 0.00 0.00 178.44 178.73 2wtm h ALA 114 N 0.49 1.09 -0.39 1.53 0.00 -0.75 -2.60 119.26 118.64 2wtm h ALA 114 Ca -0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2wtm h ALA 114 Cb 0.44 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2wtm h ALA 114 CO 0.01 0.57 0.06 0.00 0.00 0.00 0.00 179.25 179.88 2wtm h ALA 115 N 1.26 1.39 -0.48 0.00 0.00 -0.72 0.60 119.26 121.31 2wtm h ALA 115 Ca 0.12 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2wtm h ALA 115 Cb 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2wtm h ALA 115 CO 0.03 0.43 -0.06 0.00 0.00 0.00 0.00 179.25 179.65 2wtm h ALA 116 N 1.51 0.65 0.00 0.00 0.00 -1.47 0.80 119.26 120.75 2wtm h ALA 116 Ca 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2wtm h ALA 116 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2wtm h ALA 116 CO 0.00 0.51 -0.21 0.52 0.00 0.00 0.00 179.25 180.07 2wtm h MET 117 N 0.74 0.00 -0.52 0.00 2.86 -0.96 -2.76 114.93 114.28 2wtm h MET 117 Ca 0.13 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.43 2wtm h MET 117 Cb 0.59 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.04 2wtm h MET 117 CO 0.04 0.21 -0.21 0.39 1.06 0.00 0.00 176.91 178.41 2wtm n GLU 118 N -3.82 2.43 0.26 1.72 -0.58 0.12 -4.85 120.64 115.92 2wtm n GLU 118 Ca -0.02 -3.50 0.12 0.00 -0.42 0.00 0.00 57.16 53.34 2wtm n GLU 118 Cb 0.31 -2.00 0.70 0.00 -0.57 0.00 0.00 31.44 29.89 2wtm n GLU 118 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 2wtm h ARG 119 N 1.47 0.00 0.00 3.49 0.11 -0.56 -0.62 114.38 118.27 2wtm h ARG 119 Ca 0.30 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.33 2wtm h ARG 119 Cb 1.47 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.54 2wtm h ARG 119 CO 0.62 0.13 -0.26 0.38 0.10 0.00 0.00 179.97 180.94 2wtm h ASP 120 N 0.00 0.00 0.01 0.08 2.03 -1.87 -3.36 116.42 113.30 2wtm h ASP 120 Ca -0.00 0.00 -0.39 0.00 -0.73 0.00 0.00 57.03 55.91 2wtm h ASP 120 Cb 0.34 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.78 2wtm h ASP 120 CO 0.02 0.26 -2.44 -0.38 -1.03 0.00 0.00 179.24 175.67 2wtm n ILE 121 N -3.27 1.48 -3.05 4.15 2.08 -0.34 -4.92 119.36 115.49 2wtm n ILE 121 Ca 0.01 -0.62 -0.42 0.00 0.56 0.00 0.00 62.75 62.28 2wtm n ILE 121 Cb 0.54 -1.27 -0.06 0.00 -0.75 0.00 0.00 39.64 38.10 2wtm n ILE 121 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2wtm s ILE 122 N -2.52 4.79 0.19 1.39 -1.09 -0.58 -4.18 121.20 119.21 2wtm s ILE 122 Ca -0.30 0.49 0.03 0.00 -2.23 0.00 0.00 60.65 58.64 2wtm s ILE 122 Cb 0.08 -4.18 -0.11 0.00 -1.58 0.00 0.00 42.46 36.67 2wtm s ILE 122 CO 0.65 -0.49 1.45 0.50 -1.23 0.00 0.00 174.94 175.82 2wtm h LYS 123 N 8.67 0.22 -3.25 2.79 3.64 -1.19 -3.47 116.57 123.99 2wtm h LYS 123 Ca -0.25 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 58.88 2wtm h LYS 123 Cb 1.10 0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 32.84 2wtm h LYS 123 CO 0.89 0.88 0.03 0.00 -2.27 0.00 0.00 179.45 178.98 2wtm s ALA 124 N -3.44 -1.16 -0.03 5.00 0.00 -1.26 -4.28 121.76 116.58 2wtm s ALA 124 Ca -0.03 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.08 2wtm s ALA 124 Cb 0.11 0.77 0.01 0.00 0.00 0.00 0.00 23.12 24.00 2wtm s ALA 124 CO 0.82 -0.69 -0.09 -1.17 0.00 0.00 0.00 175.76 174.63 2wtm s LEU 125 N -2.79 1.73 -0.45 0.00 2.96 -0.41 -2.29 118.68 117.42 2wtm s LEU 125 Ca 0.02 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2wtm s LEU 125 Cb 0.01 -0.58 0.14 0.00 0.50 0.00 0.00 46.19 46.26 2wtm s LEU 125 CO -0.12 0.05 0.26 -0.63 -1.32 0.00 0.00 176.35 174.59 2wtm s ILE 126 N 0.31 1.47 -0.28 6.68 1.01 0.14 -0.83 121.20 129.69 2wtm s ILE 126 Ca -0.05 -2.67 -0.28 0.00 0.00 0.00 0.00 60.65 57.65 2wtm s ILE 126 Cb -0.10 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.36 2wtm s ILE 126 CO 0.01 -0.91 1.00 -2.84 0.00 0.00 0.00 174.94 172.19 2wtm s PRO 127 N 0.23 4.11 -0.38 2.79 0.02 -1.12 -1.99 135.00 138.67 2wtm s PRO 127 Ca 0.19 1.06 -0.15 0.00 0.02 0.00 0.00 61.00 62.12 2wtm s PRO 127 Cb -0.22 -3.70 0.00 0.00 0.02 0.00 0.00 34.50 30.60 2wtm s PRO 127 CO -0.02 -0.75 0.30 -0.51 -0.33 0.00 0.00 177.00 175.70 2wtm s LEU 128 N 3.34 4.78 -1.29 -5.54 1.43 0.81 -2.44 118.68 119.76 2wtm s LEU 128 Ca 0.42 -0.61 -0.26 0.00 -1.03 0.00 0.00 54.13 52.64 2wtm s LEU 128 Cb -0.14 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 43.91 2wtm s LEU 128 CO 0.11 -0.38 0.53 -1.20 0.23 0.00 0.00 176.35 175.65 2wtm n SER 129 N 5.23 -2.95 -4.77 2.29 7.64 0.13 -0.90 113.62 120.29 2wtm n SER 129 Ca -0.11 -1.28 -0.40 0.00 1.01 0.00 0.00 58.87 58.09 2wtm n SER 129 Cb 0.48 -1.73 -0.02 0.00 -1.01 0.00 0.00 64.21 61.93 2wtm n SER 129 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2wtm s PRO 130 N -7.38 4.27 -1.19 1.43 0.04 -1.26 -2.96 135.00 127.95 2wtm s PRO 130 Ca 0.38 2.00 -0.06 0.00 0.04 0.00 0.00 61.00 63.35 2wtm s PRO 130 Cb -0.20 -2.93 0.06 0.00 0.04 0.00 0.00 34.50 31.47 2wtm s PRO 130 CO 0.97 -0.18 2.60 0.00 0.04 0.00 0.00 177.00 180.43 2wtm n ALA 131 N 0.56 6.88 1.31 8.56 0.00 -0.31 -4.66 120.51 132.85 2wtm n ALA 131 Ca 0.02 -3.74 0.14 0.00 0.00 0.00 0.00 53.44 49.86 2wtm n ALA 131 Cb 0.44 -2.77 0.58 0.00 0.00 0.00 0.00 19.45 17.70 2wtm n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wtm n ALA 132 N 1.96 2.77 1.49 0.00 0.00 -1.26 -2.96 120.51 122.51 2wtm n ALA 132 Ca 0.63 -0.25 0.14 0.00 0.00 0.00 0.00 53.44 53.96 2wtm n ALA 132 Cb 0.32 -1.34 0.61 0.00 0.00 0.00 0.00 19.45 19.04 2wtm n ALA 132 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wtm n MET 133 N -1.10 0.96 -0.09 0.00 2.81 -1.26 -4.41 117.12 114.02 2wtm n MET 133 Ca 0.12 -0.39 -0.06 0.00 -1.81 0.00 0.00 57.70 55.56 2wtm n MET 133 Cb 0.29 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.32 2wtm n MET 133 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2wtm h ILE 134 N 0.96 0.78 -0.49 2.02 2.04 -1.95 -1.06 117.51 119.81 2wtm h ILE 134 Ca 0.00 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 65.87 2wtm h ILE 134 Cb 0.36 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 2wtm h ILE 134 CO 0.00 0.02 0.22 -0.65 0.00 0.00 0.00 178.15 177.74 2wtm h PRO 135 N 0.11 0.42 -0.50 2.37 0.11 -1.78 0.12 132.00 132.86 2wtm h PRO 135 Ca 0.16 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 2wtm h PRO 135 Cb 0.20 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 2wtm h PRO 135 CO -0.25 0.28 0.21 1.49 -0.21 0.00 0.00 178.00 179.52 2wtm h GLU 136 N 0.43 0.74 -0.81 1.05 4.81 -1.70 -1.66 114.58 117.44 2wtm h GLU 136 Ca 0.22 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2wtm h GLU 136 Cb 0.17 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 2wtm h GLU 136 CO -0.18 0.65 0.39 0.82 -0.73 0.00 0.00 179.01 179.95 2wtm h ILE 137 N 0.66 1.25 -0.47 2.32 2.04 -0.93 -1.77 117.51 120.61 2wtm h ILE 137 Ca 0.17 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 2wtm h ILE 137 Cb 0.18 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 2wtm h ILE 137 CO -0.02 0.30 0.19 0.00 0.00 0.00 0.00 178.15 178.62 2wtm h ALA 138 N 1.20 1.45 0.00 1.87 0.00 -0.32 -1.32 119.26 122.13 2wtm h ALA 138 Ca 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2wtm h ALA 138 Cb 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2wtm h ALA 138 CO -0.03 0.42 -0.10 0.00 0.00 0.00 0.00 179.25 179.54 2wtm h ARG 139 N 0.67 0.00 -0.00 0.00 3.08 -0.48 -2.22 114.38 115.42 2wtm h ARG 139 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2wtm h ARG 139 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2wtm h ARG 139 CO -0.02 0.10 -0.27 0.25 -1.07 0.00 0.00 179.97 178.96 2wtm n THR 140 N -3.25 0.00 -0.96 2.04 -2.24 -0.54 -4.76 114.28 104.57 2wtm n THR 140 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2wtm n THR 140 Cb 0.35 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 2wtm n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wtm n GLY 141 N 1.47 1.00 3.44 3.38 0.00 -0.84 -4.66 105.19 108.98 2wtm n GLY 141 Ca 0.07 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 2wtm n GLY 141 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wtm s GLU 142 N -2.27 1.57 -0.30 1.61 2.02 -0.99 -0.66 118.70 119.68 2wtm s GLU 142 Ca 0.00 -1.48 -0.06 0.00 0.02 0.00 0.00 54.97 53.45 2wtm s GLU 142 Cb 0.00 -1.88 0.16 0.00 0.10 0.00 0.00 34.13 32.51 2wtm s GLU 142 CO 0.00 0.41 0.67 -1.17 0.02 0.00 0.00 175.26 175.19 2wtm s LEU 143 N -2.63 -1.19 0.00 1.80 0.20 -1.05 -3.64 118.68 112.16 2wtm s LEU 143 Ca 0.21 1.13 0.00 0.00 0.69 0.00 0.00 54.13 56.16 2wtm s LEU 143 Cb -0.08 2.15 0.00 0.00 -0.43 0.00 0.00 46.19 47.83 2wtm s LEU 143 CO 0.10 -0.23 0.00 0.18 -0.29 0.00 0.00 176.35 176.12 2wtm n LEU 144 N 5.41 0.00 -0.67 -0.68 4.77 -1.26 -0.86 117.00 123.70 2wtm n LEU 144 Ca -0.06 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.01 2wtm n LEU 144 Cb 0.50 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.90 2wtm n LEU 144 CO -0.01 0.00 0.74 0.61 -1.33 0.00 0.00 177.39 177.40 2wtm n GLY 145 N 0.00 0.60 3.88 -0.72 0.00 -1.26 -4.89 105.19 102.80 2wtm n GLY 145 Ca 0.00 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 2wtm n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wtm s LEU 146 N -1.43 4.34 -0.06 0.99 1.02 -0.04 -5.08 118.68 118.42 2wtm s LEU 146 Ca 0.32 0.65 0.01 0.00 0.02 0.00 0.00 54.13 55.13 2wtm s LEU 146 Cb 0.17 -2.92 0.02 0.00 0.02 0.00 0.00 46.19 43.49 2wtm s LEU 146 CO 0.25 0.18 -0.07 -0.75 0.02 0.00 0.00 176.35 175.98 2wtm s LYS 147 N -2.00 1.22 0.15 1.70 2.47 -1.26 -2.53 119.74 119.49 2wtm s LYS 147 Ca 0.32 -0.22 0.01 0.00 -1.56 0.00 0.00 55.97 54.52 2wtm s LYS 147 Cb -0.13 -1.15 -0.04 0.00 -1.46 0.00 0.00 37.83 35.05 2wtm s LYS 147 CO 0.19 -0.08 -0.00 -0.59 0.16 0.00 0.00 175.35 175.03 2wtm s PHE 148 N 0.98 1.10 0.06 4.03 -0.12 0.17 -5.03 117.98 119.17 2wtm s PHE 148 Ca -0.09 -1.03 -0.31 0.00 -0.05 0.00 0.00 56.93 55.45 2wtm s PHE 148 Cb -0.15 -0.63 -0.08 0.00 -0.63 0.00 0.00 43.02 41.54 2wtm s PHE 148 CO 0.00 -0.25 1.59 0.34 -0.05 0.00 0.00 175.22 176.85 2wtm s ASP 149 N -3.13 6.66 0.00 1.98 -1.08 -1.26 -4.42 116.67 115.42 2wtm s ASP 149 Ca 0.22 2.40 0.09 0.00 -0.52 0.00 0.00 52.55 54.73 2wtm s ASP 149 Cb 0.06 -2.56 0.40 0.00 -1.46 0.00 0.00 42.92 39.36 2wtm s ASP 149 CO 0.02 -0.84 1.22 -0.81 0.52 0.00 0.00 175.17 175.27 2wtm n PRO 150 N 5.48 0.06 0.00 4.34 -0.04 -1.26 -0.99 135.00 142.58 2wtm n PRO 150 Ca 0.15 0.28 0.10 0.00 -0.04 0.00 0.00 63.50 64.00 2wtm n PRO 150 Cb 0.41 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 2wtm n PRO 150 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wtm n GLU 151 N -1.40 0.01 -3.55 0.54 -0.58 -1.26 -4.66 120.64 109.73 2wtm n GLU 151 Ca 0.03 -0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.48 2wtm n GLU 151 Cb 0.09 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.34 2wtm n GLU 151 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2wtm s ASN 152 N -3.00 2.76 0.06 1.62 0.01 -0.16 -5.12 114.94 111.10 2wtm s ASN 152 Ca 0.09 -2.88 -0.25 0.00 -0.71 0.00 0.00 52.86 49.11 2wtm s ASN 152 Cb 0.16 -0.73 -0.06 0.00 0.41 0.00 0.00 41.25 41.04 2wtm s ASN 152 CO 0.84 -0.21 0.78 -0.63 -1.51 0.00 0.00 177.10 176.37 2wtm s ILE 153 N 0.14 4.69 0.49 0.60 1.01 -1.26 -4.36 121.20 122.51 2wtm s ILE 153 Ca 0.25 1.67 -0.23 0.00 0.00 0.00 0.00 60.65 62.34 2wtm s ILE 153 Cb -0.10 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 38.18 2wtm s ILE 153 CO -0.10 0.37 1.25 -2.84 0.00 0.00 0.00 174.94 173.62 2wtm s PRO 154 N -0.12 3.50 0.33 2.79 0.02 -1.26 -4.93 135.00 135.32 2wtm s PRO 154 Ca 0.39 1.99 0.01 0.00 0.02 0.00 0.00 61.00 63.41 2wtm s PRO 154 Cb -0.21 -2.36 0.57 0.00 0.02 0.00 0.00 34.50 32.52 2wtm s PRO 154 CO 0.24 -0.83 1.96 -0.44 -0.33 0.00 0.00 177.00 177.60 2wtm h ASP 155 N 1.82 0.73 -4.05 2.53 3.32 -1.95 -3.22 116.42 115.60 2wtm h ASP 155 Ca -0.50 -0.05 -0.42 0.00 0.02 0.00 0.00 57.03 56.08 2wtm h ASP 155 Cb 1.27 -0.19 -0.29 0.00 0.22 0.00 0.00 39.33 40.34 2wtm h ASP 155 CO 0.59 0.59 -0.79 -0.70 -1.72 0.00 0.00 179.24 177.22 2wtm s GLU 156 N -5.57 0.85 -0.08 3.56 2.12 -1.26 -0.36 118.70 117.96 2wtm s GLU 156 Ca -0.10 -0.36 0.01 0.00 0.36 0.00 0.00 54.97 54.88 2wtm s GLU 156 Cb 0.17 -0.82 0.02 0.00 0.26 0.00 0.00 34.13 33.76 2wtm s GLU 156 CO 0.77 0.21 -0.11 -0.51 -0.54 0.00 0.00 175.26 175.08 2wtm s LEU 157 N -0.20 1.53 -0.03 2.70 1.43 0.53 -4.86 118.68 119.79 2wtm s LEU 157 Ca 0.03 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 2wtm s LEU 157 Cb -0.04 -0.86 -0.05 0.00 0.03 0.00 0.00 46.19 45.27 2wtm s LEU 157 CO -0.00 -0.01 1.34 -1.81 0.23 0.00 0.00 176.35 176.10 2wtm s ASP 158 N 0.99 6.91 0.00 2.29 -0.00 -1.26 -1.04 116.67 124.55 2wtm s ASP 158 Ca -0.08 2.01 0.00 0.00 -0.00 0.00 0.00 52.55 54.47 2wtm s ASP 158 Cb -0.15 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.21 2wtm s ASP 158 CO -0.00 -0.69 0.00 0.00 -0.00 0.00 0.00 175.17 174.48 2wtm n ALA 159 N 5.43 0.00 -1.24 5.23 0.00 0.29 -4.94 120.51 125.29 2wtm n ALA 159 Ca 0.13 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 53.08 2wtm n ALA 159 Cb 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 2wtm n ALA 159 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2wtm n TRP 160 N 0.00 0.57 -3.85 0.00 8.01 -1.26 -1.71 117.44 119.20 2wtm n TRP 160 Ca 0.00 0.87 -0.30 0.00 -1.31 0.00 0.00 57.50 56.77 2wtm n TRP 160 Cb 0.00 -1.72 0.02 0.00 -2.01 0.00 0.00 31.31 27.60 2wtm n TRP 160 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 2wtm n ASP 161 N 1.32 -4.75 0.00 -0.99 4.64 -1.26 -0.07 116.55 115.44 2wtm n ASP 161 Ca 0.17 -0.74 0.00 0.00 -1.38 0.00 0.00 54.79 52.84 2wtm n ASP 161 Cb 0.06 -3.80 0.00 0.00 -1.04 0.00 0.00 41.12 36.34 2wtm n ASP 161 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2wtm n GLY 162 N -1.63 0.83 3.75 0.27 0.00 -0.69 -5.00 105.19 102.72 2wtm n GLY 162 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2wtm n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wtm s ARG 163 N -0.09 4.84 -0.22 1.61 0.52 0.90 -4.65 118.95 121.86 2wtm s ARG 163 Ca 0.00 1.51 -0.16 0.00 -0.52 0.00 0.00 55.73 56.56 2wtm s ARG 163 Cb 0.00 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 2wtm s ARG 163 CO 0.00 0.49 0.40 0.15 0.02 0.00 0.00 175.30 176.36 2wtm s LYS 164 N -1.15 4.14 0.11 3.54 3.01 -1.26 0.11 119.74 128.24 2wtm s LYS 164 Ca 0.41 0.18 0.07 0.00 -1.01 0.00 0.00 55.97 55.63 2wtm s LYS 164 Cb -0.26 -3.57 -0.04 0.00 -1.01 0.00 0.00 37.83 32.95 2wtm s LYS 164 CO 0.32 -0.10 -0.08 -0.51 0.51 0.00 0.00 175.35 175.50 2wtm s LEU 165 N 1.51 3.13 0.58 3.17 1.43 -0.21 -4.88 118.68 123.42 2wtm s LEU 165 Ca 0.19 -0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 52.78 2wtm s LEU 165 Cb -0.15 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 2wtm s LEU 165 CO 0.08 0.17 1.02 -0.54 0.23 0.00 0.00 176.35 177.31 2wtm s LYS 166 N -2.31 3.57 0.61 1.70 1.02 -1.26 -0.34 119.74 122.71 2wtm s LYS 166 Ca 0.23 1.01 0.30 0.00 0.02 0.00 0.00 55.97 57.53 2wtm s LYS 166 Cb -0.11 -2.08 1.64 0.00 -0.52 0.00 0.00 37.83 36.76 2wtm s LYS 166 CO 0.15 -0.59 2.02 0.78 -0.92 0.00 0.00 175.35 176.79 2wtm h GLY 167 N 0.39 0.00 1.04 -3.33 0.00 -0.71 -2.19 103.07 98.27 2wtm h GLY 167 Ca -0.46 0.00 0.11 0.00 0.00 0.00 0.00 47.33 46.98 2wtm h GLY 167 CO 0.60 0.00 0.38 3.43 0.00 0.00 0.00 176.54 180.95 2wtm h ASN 168 N 0.00 0.25 -0.45 0.19 2.35 -1.86 -0.16 115.58 115.89 2wtm h ASN 168 Ca 0.11 0.01 0.08 0.00 -0.55 0.00 0.00 56.30 55.94 2wtm h ASN 168 Cb 0.71 -0.04 -0.07 0.00 0.05 0.00 0.00 38.32 38.96 2wtm h ASN 168 CO -0.00 0.14 0.05 0.22 -1.65 0.00 0.00 177.43 176.19 2wtm h TYR 169 N 0.27 0.06 -0.24 1.19 3.20 -1.50 -0.24 116.97 119.71 2wtm h TYR 169 Ca 0.26 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 62.04 2wtm h TYR 169 Cb 0.67 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 2wtm h TYR 169 CO -0.00 -0.05 -0.34 0.28 -1.64 0.00 0.00 178.16 176.41 2wtm h VAL 170 N 0.16 1.32 -0.63 1.81 2.07 -1.26 -0.79 116.25 118.93 2wtm h VAL 170 Ca 0.22 -1.54 0.07 0.00 0.82 0.00 0.00 66.70 66.28 2wtm h VAL 170 Cb 0.31 1.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 2wtm h VAL 170 CO -0.33 0.48 0.31 0.03 0.02 0.00 0.00 177.57 178.08 2wtm h ARG 171 N 0.36 0.54 -0.01 1.57 3.08 -0.88 0.12 114.38 119.16 2wtm h ARG 171 Ca 0.02 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2wtm h ARG 171 Cb 0.93 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 2wtm h ARG 171 CO 0.08 0.36 -0.00 0.28 -1.07 0.00 0.00 179.97 179.61 2wtm h VAL 172 N 0.56 1.31 -0.99 2.04 2.07 -1.09 -3.32 116.25 116.83 2wtm h VAL 172 Ca 0.29 -0.94 0.09 0.00 0.82 0.00 0.00 66.70 66.97 2wtm h VAL 172 Cb 0.26 1.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.89 2wtm h VAL 172 CO -0.22 0.25 0.64 0.00 0.02 0.00 0.00 177.57 178.25 2wtm h ALA 173 N 0.61 1.47 -0.44 1.67 0.00 -0.65 -0.91 119.26 121.02 2wtm h ALA 173 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2wtm h ALA 173 Cb 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2wtm h ALA 173 CO 0.00 0.34 0.34 1.96 0.00 0.00 0.00 179.25 181.89 2wtm h GLN 174 N 1.08 0.00 0.00 0.00 4.20 -1.08 -2.10 115.11 117.21 2wtm h GLN 174 Ca 0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 2wtm h GLN 174 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2wtm h GLN 174 CO -0.20 0.00 0.00 1.79 -0.67 0.00 0.00 178.83 179.75 2wtm h THR 175 N 0.00 0.00 -3.26 -0.54 1.35 -1.29 -3.46 112.91 105.71 2wtm h THR 175 Ca 0.21 -0.79 -0.59 0.00 -0.55 0.00 0.00 66.41 64.69 2wtm h THR 175 Cb 0.89 1.78 -0.08 0.00 -1.73 0.00 0.00 68.15 69.01 2wtm h THR 175 CO -0.00 0.00 0.56 -0.63 -0.25 0.00 0.00 175.52 175.19 2wtm s ILE 176 N -3.23 4.77 -0.80 6.82 -1.09 -0.79 -4.99 121.20 121.90 2wtm s ILE 176 Ca 0.07 1.63 -0.15 0.00 -2.23 0.00 0.00 60.65 59.97 2wtm s ILE 176 Cb 0.07 -4.18 0.19 0.00 -1.58 0.00 0.00 42.46 36.96 2wtm s ILE 176 CO 0.63 -0.15 0.80 -0.13 -1.23 0.00 0.00 174.94 174.86 2wtm s ARG 177 N 2.99 3.50 0.26 2.79 1.81 -1.26 -4.76 118.95 124.28 2wtm s ARG 177 Ca 0.37 -2.19 -0.03 0.00 -1.72 0.00 0.00 55.73 52.16 2wtm s ARG 177 Cb -0.15 -4.49 0.42 0.00 -0.45 0.00 0.00 34.95 30.29 2wtm s ARG 177 CO 0.08 -1.39 1.84 0.28 -0.68 0.00 0.00 175.30 175.43 2wtm h VAL 178 N 5.15 0.97 -0.57 3.52 2.07 -1.94 -1.38 116.25 124.08 2wtm h VAL 178 Ca 0.05 -0.33 0.11 0.00 0.82 0.00 0.00 66.70 67.35 2wtm h VAL 178 Cb 1.05 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2wtm h VAL 178 CO 0.86 0.17 0.39 -0.33 0.02 0.00 0.00 177.57 178.68 2wtm h GLU 179 N 0.95 0.28 -0.67 1.57 3.07 -1.96 -0.72 114.58 117.10 2wtm h GLU 179 Ca 0.42 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 59.20 2wtm h GLU 179 Cb 0.31 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 2wtm h GLU 179 CO -0.22 0.18 0.16 -0.44 -1.40 0.00 0.00 179.01 177.29 2wtm h ASP 180 N 0.29 1.02 0.11 1.42 5.19 -1.67 -1.04 116.42 121.73 2wtm h ASP 180 Ca 0.27 -0.24 -0.17 0.00 -0.62 0.00 0.00 57.03 56.27 2wtm h ASP 180 Cb 0.66 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 2wtm h ASP 180 CO -0.06 0.99 -0.61 -0.26 -3.12 0.00 0.00 179.24 176.18 2wtm h PHE 181 N 1.00 0.64 -0.14 4.55 0.04 -1.24 -2.53 116.94 119.27 2wtm h PHE 181 Ca 0.21 -0.24 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 2wtm h PHE 181 Cb 0.37 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 2wtm h PHE 181 CO 0.03 0.98 0.07 0.28 -0.60 0.00 0.00 178.31 179.07 2wtm h VAL 182 N 0.37 1.09 -0.11 -0.55 2.07 -1.13 -2.95 116.25 115.05 2wtm h VAL 182 Ca -0.01 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.28 2wtm h VAL 182 Cb 1.16 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2wtm h VAL 182 CO 0.11 0.08 0.08 0.44 0.02 0.00 0.00 177.57 178.30 2wtm h ASP 183 N 0.12 0.04 0.71 0.57 3.32 -1.05 -2.69 116.42 117.44 2wtm h ASP 183 Ca 0.05 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2wtm h ASP 183 Cb 0.07 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2wtm h ASP 183 CO -0.01 0.03 -0.31 0.29 -1.72 0.00 0.00 179.24 177.53 2wtm n LYS 184 N -4.51 0.01 -3.51 3.56 4.76 -0.97 -4.60 118.16 112.89 2wtm n LYS 184 Ca -0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 2wtm n LYS 184 Cb 0.16 -1.51 -0.08 0.00 -1.84 0.00 0.00 35.03 31.76 2wtm n LYS 184 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 2wtm s TYR 185 N -3.00 3.43 -2.52 2.13 5.04 -1.02 -4.91 117.35 116.50 2wtm s TYR 185 Ca 0.12 -1.88 0.21 0.00 -2.44 0.00 0.00 57.07 53.08 2wtm s TYR 185 Cb 0.18 -3.54 0.15 0.00 0.35 0.00 0.00 41.96 39.09 2wtm s TYR 185 CO 0.63 -0.99 1.14 0.25 -1.34 0.00 0.00 175.55 175.25 2wtm n THR 186 N 4.76 0.00 -1.52 4.34 -2.24 -1.26 -4.61 114.28 113.74 2wtm n THR 186 Ca -0.05 -0.48 -0.29 0.00 -2.27 0.00 0.00 64.05 60.96 2wtm n THR 186 Cb 0.41 1.41 0.15 0.00 -2.10 0.00 0.00 70.33 70.20 2wtm n THR 186 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wtm s LYS 187 N -1.80 0.87 0.32 -0.78 1.02 -1.26 -4.39 119.74 113.72 2wtm s LYS 187 Ca 0.23 0.20 -0.29 0.00 0.02 0.00 0.00 55.97 56.13 2wtm s LYS 187 Cb 0.17 -1.82 -0.11 0.00 -0.52 0.00 0.00 37.83 35.56 2wtm s LYS 187 CO 0.29 -2.36 1.47 -2.14 -0.92 0.00 0.00 175.35 171.69 2wtm s PRO 188 N -5.34 4.19 0.01 -1.68 0.02 -1.26 -4.54 135.00 126.40 2wtm s PRO 188 Ca 0.65 2.45 0.06 0.00 0.02 0.00 0.00 61.00 64.18 2wtm s PRO 188 Cb -0.13 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.34 2wtm s PRO 188 CO 0.54 -0.47 -0.17 0.08 -0.33 0.00 0.00 177.00 176.64 2wtm s VAL 189 N -0.57 1.38 -0.25 3.83 1.01 -0.17 -1.29 120.40 124.33 2wtm s VAL 189 Ca 0.56 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.71 2wtm s VAL 189 Cb -0.45 -1.17 0.05 0.00 0.00 0.00 0.00 36.38 34.82 2wtm s VAL 189 CO 0.53 0.29 -0.11 -0.22 0.00 0.00 0.00 175.10 175.59 2wtm s LEU 190 N -0.65 3.33 -0.17 3.92 2.96 -0.01 -1.02 118.68 127.03 2wtm s LEU 190 Ca 0.06 -1.31 -0.10 0.00 -0.22 0.00 0.00 54.13 52.56 2wtm s LEU 190 Cb -0.07 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 2wtm s LEU 190 CO 0.00 -0.17 0.16 -0.63 -1.32 0.00 0.00 176.35 174.39 2wtm s ILE 191 N 1.13 5.41 -0.09 6.68 1.01 -0.38 -2.79 121.20 132.17 2wtm s ILE 191 Ca -0.07 0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.86 2wtm s ILE 191 Cb -0.19 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 2wtm s ILE 191 CO -0.06 0.48 -0.16 -0.69 0.00 0.00 0.00 174.94 174.52 2wtm s VAL 192 N -0.02 2.88 -0.25 2.92 1.01 -1.02 -0.24 120.40 125.69 2wtm s VAL 192 Ca 0.11 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.15 2wtm s VAL 192 Cb -0.12 -2.16 0.07 0.00 0.00 0.00 0.00 36.38 34.17 2wtm s VAL 192 CO 0.01 0.56 0.63 -2.28 0.00 0.00 0.00 175.10 174.02 2wtm s HIS 193 N -0.10 -0.80 0.29 5.22 5.04 -0.82 0.20 115.29 124.32 2wtm s HIS 193 Ca -0.03 1.80 -0.28 0.00 -1.54 0.00 0.00 55.06 55.01 2wtm s HIS 193 Cb -0.14 0.36 -0.09 0.00 0.04 0.00 0.00 32.58 32.75 2wtm s HIS 193 CO 0.04 -0.40 1.02 0.20 -2.34 0.00 0.00 174.74 173.26 2wtm s GLY 194 N 0.84 3.00 0.00 1.59 0.00 -1.26 -1.19 107.32 110.29 2wtm s GLY 194 Ca -0.04 0.72 0.19 0.00 0.00 0.00 0.00 44.72 45.60 2wtm s GLY 194 CO -0.07 1.27 1.60 2.09 0.00 0.00 0.00 173.10 177.98 2wtm n ASP 195 N 1.02 0.99 -1.42 1.64 5.68 -0.87 -2.81 116.55 120.77 2wtm n ASP 195 Ca -0.00 -1.61 -0.09 0.00 -0.50 0.00 0.00 54.79 52.59 2wtm n ASP 195 Cb 0.47 -0.06 0.10 0.00 -1.14 0.00 0.00 41.12 40.49 2wtm n ASP 195 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wtm n GLN 196 N -0.12 2.56 -2.08 0.11 1.13 -0.72 -4.84 117.38 113.42 2wtm n GLN 196 Ca 0.15 -3.71 -0.43 0.00 -1.94 0.00 0.00 57.00 51.08 2wtm n GLN 196 Cb 0.22 -1.90 -0.03 0.00 0.11 0.00 0.00 30.24 28.64 2wtm n GLN 196 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2wtm s ASP 197 N -3.40 6.49 0.10 1.08 -1.08 -1.09 -4.42 116.67 114.34 2wtm s ASP 197 Ca 0.44 1.85 0.27 0.00 -0.52 0.00 0.00 52.55 54.60 2wtm s ASP 197 Cb 0.39 -2.53 0.98 0.00 -1.46 0.00 0.00 42.92 40.29 2wtm s ASP 197 CO -0.02 -1.13 1.81 -1.84 0.52 0.00 0.00 175.17 174.52 2wtm n GLU 198 N 7.43 0.13 -0.07 4.34 0.00 -1.26 -4.37 120.64 126.84 2wtm n GLU 198 Ca 0.18 0.10 -0.12 0.00 0.00 0.00 0.00 57.16 57.32 2wtm n GLU 198 Cb 0.44 -1.64 -0.06 0.00 0.00 0.00 0.00 31.44 30.18 2wtm n GLU 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wtm n ALA 199 N -1.64 1.81 -3.77 -1.84 0.00 -1.26 -4.97 120.51 108.84 2wtm n ALA 199 Ca 0.06 -0.60 -0.26 0.00 0.00 0.00 0.00 53.44 52.64 2wtm n ALA 199 Cb 0.38 0.22 -0.17 0.00 0.00 0.00 0.00 19.45 19.88 2wtm n ALA 199 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wtm s VAL 200 N -2.28 1.06 0.12 0.00 1.01 -1.26 -5.10 120.40 113.95 2wtm s VAL 200 Ca -0.20 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.12 2wtm s VAL 200 Cb 0.06 -1.04 -0.10 0.00 0.00 0.00 0.00 36.38 35.30 2wtm s VAL 200 CO 0.31 0.36 1.71 -2.84 0.00 0.00 0.00 175.10 174.64 2wtm s PRO 201 N 1.37 4.17 0.35 2.72 0.02 -1.26 -4.69 135.00 137.67 2wtm s PRO 201 Ca -0.01 2.46 0.14 0.00 0.02 0.00 0.00 61.00 63.61 2wtm s PRO 201 Cb -0.14 -3.45 1.00 0.00 0.02 0.00 0.00 34.50 31.93 2wtm s PRO 201 CO -0.05 -0.75 1.73 -0.92 -0.33 0.00 0.00 177.00 176.69 2wtm h TYR 202 N 7.95 0.87 -0.44 6.54 3.20 -1.83 -1.89 116.97 131.37 2wtm h TYR 202 Ca -0.44 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.54 2wtm h TYR 202 Cb 1.21 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 2wtm h TYR 202 CO 0.74 0.03 0.30 0.93 -1.64 0.00 0.00 178.16 178.52 2wtm h GLU 203 N 0.48 0.28 -0.85 1.82 3.07 -1.95 -0.12 114.58 117.31 2wtm h GLU 203 Ca 0.65 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.49 2wtm h GLU 203 Cb 1.42 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 29.22 2wtm h GLU 203 CO -0.43 0.18 0.53 0.00 -1.40 0.00 0.00 179.01 177.89 2wtm h ALA 204 N 1.77 1.34 -0.04 3.43 0.00 -1.72 -1.69 119.26 122.35 2wtm h ALA 204 Ca 0.20 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 2wtm h ALA 204 Cb 0.43 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2wtm h ALA 204 CO -0.04 0.58 -0.78 0.77 0.00 0.00 0.00 179.25 179.78 2wtm h SER 205 N 1.16 0.39 -0.15 0.00 0.02 -1.15 -1.04 113.55 112.77 2wtm h SER 205 Ca 0.31 -0.27 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 2wtm h SER 205 Cb -0.08 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.29 2wtm h SER 205 CO -0.06 1.03 -0.15 0.58 -1.14 0.00 0.00 176.83 177.09 2wtm h VAL 206 N 0.20 0.60 -0.24 2.27 2.07 -1.04 0.31 116.25 120.42 2wtm h VAL 206 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2wtm h VAL 206 Cb 1.37 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2wtm h VAL 206 CO 0.13 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.83 2wtm h ALA 207 N 0.91 0.31 -0.20 1.67 0.00 -0.95 -2.70 119.26 118.31 2wtm h ALA 207 Ca 0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2wtm h ALA 207 Cb 0.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2wtm h ALA 207 CO -0.25 -0.11 -0.02 0.74 0.00 0.00 0.00 179.25 179.61 2wtm h PHE 208 N 0.25 0.29 -0.24 0.00 0.04 -1.12 -1.87 116.94 114.28 2wtm h PHE 208 Ca 0.08 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 2wtm h PHE 208 Cb 0.15 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2wtm h PHE 208 CO -0.02 0.32 -0.02 0.66 -0.60 0.00 0.00 178.31 178.65 2wtm h SER 209 N 0.28 0.33 1.38 2.17 4.64 -0.67 -1.30 113.55 120.38 2wtm h SER 209 Ca 0.07 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.21 2wtm h SER 209 Cb 0.22 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 2wtm h SER 209 CO 0.01 0.41 -0.63 0.11 -0.87 0.00 0.00 176.83 175.86 2wtm h LYS 210 N 0.35 0.00 0.22 4.77 1.79 -1.05 -3.34 116.57 119.31 2wtm h LYS 210 Ca 0.08 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.25 2wtm h LYS 210 Cb 0.27 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.95 2wtm h LYS 210 CO 0.01 0.58 -1.32 0.37 -1.08 0.00 0.00 179.45 178.01 2wtm h GLN 211 N 0.00 0.47 -6.67 3.15 4.15 -0.76 -3.45 115.11 112.01 2wtm h GLN 211 Ca -0.01 -0.81 -0.58 0.00 0.77 0.00 0.00 58.65 58.02 2wtm h GLN 211 Cb 1.46 0.30 0.14 0.00 0.21 0.00 0.00 27.48 29.59 2wtm h GLN 211 CO 0.08 1.39 0.15 0.66 -1.93 0.00 0.00 178.83 179.17 2wtm n TYR 212 N -3.83 1.10 -0.14 3.99 4.02 -0.56 -4.88 117.16 116.88 2wtm n TYR 212 Ca -0.17 0.54 -0.04 0.00 -0.01 0.00 0.00 57.90 58.22 2wtm n TYR 212 Cb 1.03 -2.21 0.15 0.00 -0.02 0.00 0.00 39.34 38.29 2wtm n TYR 212 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 2wtm h LYS 213 N 1.40 0.85 -2.23 -0.72 3.64 -1.85 -3.38 116.57 114.27 2wtm h LYS 213 Ca -0.45 -0.21 -0.57 0.00 -1.27 0.00 0.00 60.65 58.15 2wtm h LYS 213 Cb 1.34 -0.11 -0.37 0.00 -0.41 0.00 0.00 32.23 32.68 2wtm h LYS 213 CO 0.56 0.82 -0.98 -1.71 -2.27 0.00 0.00 179.45 175.87 2wtm n ASN 214 N -4.23 -0.51 -4.05 4.20 2.85 -1.26 -5.10 115.26 107.16 2wtm n ASN 214 Ca 0.03 -2.45 -0.23 0.00 -0.11 0.00 0.00 54.58 51.82 2wtm n ASN 214 Cb 0.28 -0.46 -0.16 0.00 1.24 0.00 0.00 39.78 40.68 2wtm n ASN 214 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wtm s LYS 216 N 0.30 3.98 -0.23 0.00 2.20 -0.19 -4.94 119.74 120.86 2wtm s LYS 216 Ca -0.07 -0.34 -0.10 0.00 -0.36 0.00 0.00 55.97 55.10 2wtm s LYS 216 Cb -0.12 -3.23 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 2wtm s LYS 216 CO 0.02 0.26 0.14 -1.17 -0.36 0.00 0.00 175.35 174.25 2wtm s LEU 217 N 0.40 4.09 -0.22 5.43 2.96 -1.26 -1.25 118.68 128.84 2wtm s LEU 217 Ca 0.03 0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 54.02 2wtm s LEU 217 Cb -0.12 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 2wtm s LEU 217 CO 0.00 0.09 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.41 2wtm s VAL 218 N 0.91 3.62 -0.18 1.68 1.01 0.67 -4.98 120.40 123.12 2wtm s VAL 218 Ca 0.07 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 2wtm s VAL 218 Cb -0.13 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 2wtm s VAL 218 CO 0.03 0.42 0.19 -0.89 0.00 0.00 0.00 175.10 174.85 2wtm s THR 219 N 1.36 5.37 -0.53 3.92 2.01 -1.26 -1.94 115.64 124.57 2wtm s THR 219 Ca 0.04 0.32 -0.17 0.00 0.31 0.00 0.00 61.69 62.19 2wtm s THR 219 Cb -0.14 -3.53 0.10 0.00 0.01 0.00 0.00 72.50 68.93 2wtm s THR 219 CO -0.01 0.42 0.56 -0.63 -0.69 0.00 0.00 174.62 174.27 2wtm s ILE 220 N 0.38 5.04 0.17 1.82 -1.09 -0.33 -4.95 121.20 122.23 2wtm s ILE 220 Ca 0.11 -1.06 -0.31 0.00 -2.23 0.00 0.00 60.65 57.16 2wtm s ILE 220 Cb -0.12 -4.32 -0.09 0.00 -1.58 0.00 0.00 42.46 36.35 2wtm s ILE 220 CO 0.00 -0.86 1.47 -2.84 -1.23 0.00 0.00 174.94 171.48 2wtm s PRO 221 N 2.11 4.27 0.00 2.79 0.02 -1.26 -2.06 135.00 140.87 2wtm s PRO 221 Ca 0.08 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.34 2wtm s PRO 221 Cb -0.25 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.09 2wtm s PRO 221 CO 0.06 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 2wtm n GLY 222 N 3.27 1.40 3.94 0.52 0.00 -1.26 -4.89 105.19 108.18 2wtm n GLY 222 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 2wtm n GLY 222 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wtm s ASP 223 N -3.21 5.70 0.35 1.61 -1.08 -1.09 -4.57 116.67 114.39 2wtm s ASP 223 Ca 0.00 -0.31 0.06 0.00 -0.52 0.00 0.00 52.55 51.77 2wtm s ASP 223 Cb 0.00 -1.11 0.06 0.00 -1.46 0.00 0.00 42.92 40.40 2wtm s ASP 223 CO 0.00 -0.41 0.46 0.35 0.52 0.00 0.00 175.17 176.08 2wtm n THR 224 N -1.55 0.00 -0.24 1.71 -2.24 -1.26 -1.75 114.28 108.95 2wtm n THR 224 Ca -0.00 -1.21 -0.02 0.00 -2.27 0.00 0.00 64.05 60.54 2wtm n THR 224 Cb 0.59 -0.63 0.17 0.00 -2.10 0.00 0.00 70.33 68.36 2wtm n THR 224 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2wtm h HIS 225 N 0.14 1.04 -0.34 4.78 -0.00 -1.92 -2.53 115.15 116.33 2wtm h HIS 225 Ca -0.17 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.16 2wtm h HIS 225 Cb 0.77 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 2wtm h HIS 225 CO 0.00 0.73 0.00 0.00 -0.00 0.00 0.00 177.93 178.67 2wtm n TYR 227 N -0.28 -2.10 0.06 0.00 4.01 -0.95 -4.75 117.16 113.14 2wtm n TYR 227 Ca 0.23 0.87 0.02 0.00 -0.16 0.00 0.00 57.90 58.87 2wtm n TYR 227 Cb 0.97 -4.76 0.38 0.00 -0.31 0.00 0.00 39.34 35.63 2wtm n TYR 227 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2wtm h ASP 228 N -1.66 0.36 0.11 7.72 3.32 -1.93 -3.14 116.42 121.20 2wtm h ASP 228 Ca -0.56 -0.05 -0.37 0.00 0.02 0.00 0.00 57.03 56.08 2wtm h ASP 228 Cb 1.31 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.72 2wtm h ASP 228 CO 0.46 0.41 -2.19 1.41 -1.72 0.00 0.00 179.24 177.61 2wtm n HIS 229 N -4.34 0.61 -2.72 4.55 8.25 -1.26 -4.76 115.22 115.56 2wtm n HIS 229 Ca 0.01 0.15 -0.11 0.00 -0.26 0.00 0.00 57.72 57.51 2wtm n HIS 229 Cb 0.20 -1.09 0.02 0.00 1.12 0.00 0.00 29.99 30.24 2wtm n HIS 229 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2wtm n HIS 230 N -3.26 1.16 -0.17 4.41 8.25 -1.25 -4.89 115.22 119.47 2wtm n HIS 230 Ca -0.35 -2.94 0.22 0.00 -0.26 0.00 0.00 57.72 54.39 2wtm n HIS 230 Cb 1.04 -0.37 0.62 0.00 1.12 0.00 0.00 29.99 32.40 2wtm n HIS 230 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2wtm h LEU 231 N 2.98 0.19 -1.78 2.41 5.85 -1.84 -0.56 115.31 122.56 2wtm h LEU 231 Ca -0.05 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2wtm h LEU 231 Cb 1.14 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 2wtm h LEU 231 CO 0.52 0.08 -0.14 1.05 -0.34 0.00 0.00 178.44 179.61 2wtm h GLU 232 N 0.19 0.00 -0.08 1.25 9.09 -1.91 -1.49 114.58 121.63 2wtm h GLU 232 Ca 0.40 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.63 2wtm h GLU 232 Cb 1.30 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.40 2wtm h GLU 232 CO -0.08 0.14 -0.71 -0.07 0.05 0.00 0.00 179.01 178.33 2wtm h LEU 233 N 0.00 0.46 0.69 3.06 3.38 -1.51 -1.89 115.31 119.50 2wtm h LEU 233 Ca -0.00 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 2wtm h LEU 233 Cb 0.40 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.03 2wtm h LEU 233 CO 0.02 1.03 -0.33 0.58 0.09 0.00 0.00 178.44 179.83 2wtm h VAL 234 N 0.27 0.31 -0.85 1.22 2.07 -1.31 -2.25 116.25 115.70 2wtm h VAL 234 Ca -0.03 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.44 2wtm h VAL 234 Cb 1.28 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 2wtm h VAL 234 CO 0.12 0.01 0.55 0.71 0.02 0.00 0.00 177.57 178.98 2wtm h THR 235 N -0.96 1.22 -0.96 2.57 1.35 -1.33 -1.75 112.91 113.05 2wtm h THR 235 Ca -0.09 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2wtm h THR 235 Cb 0.72 -0.02 -0.05 0.00 -1.73 0.00 0.00 68.15 67.07 2wtm h THR 235 CO 0.16 0.22 0.60 -0.08 -0.25 0.00 0.00 175.52 176.17 2wtm h GLU 236 N 1.16 1.28 -0.36 4.72 4.57 -1.35 0.31 114.58 124.91 2wtm h GLU 236 Ca 0.31 -0.10 -0.08 0.00 -1.18 0.00 0.00 59.36 58.32 2wtm h GLU 236 Cb -0.12 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 28.19 2wtm h GLU 236 CO -0.07 0.87 -0.07 0.00 -1.18 0.00 0.00 179.01 178.57 2wtm h ALA 237 N 1.33 0.50 -0.41 2.92 0.00 -0.96 -1.21 119.26 121.44 2wtm h ALA 237 Ca 0.35 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wtm h ALA 237 Cb -0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2wtm h ALA 237 CO -0.07 0.34 0.22 0.28 0.00 0.00 0.00 179.25 180.02 2wtm h VAL 238 N 0.49 1.15 -0.30 0.00 2.07 -1.14 -1.58 116.25 116.95 2wtm h VAL 238 Ca 0.09 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.26 2wtm h VAL 238 Cb 0.57 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2wtm h VAL 238 CO 0.03 0.16 0.04 0.50 0.02 0.00 0.00 177.57 178.32 2wtm h LYS 239 N 0.52 0.14 -0.54 1.57 3.64 -0.79 0.24 116.57 121.35 2wtm h LYS 239 Ca 0.14 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2wtm h LYS 239 Cb 0.06 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2wtm h LYS 239 CO -0.02 0.09 0.09 0.93 -2.27 0.00 0.00 179.45 178.27 2wtm h GLU 240 N 0.14 0.89 -0.38 1.90 5.08 -1.07 -0.88 114.58 120.27 2wtm h GLU 240 Ca 0.14 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 2wtm h GLU 240 Cb 0.16 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2wtm h GLU 240 CO -0.20 0.86 -0.12 0.35 -1.00 0.00 0.00 179.01 178.90 2wtm h PHE 241 N 0.78 0.86 -0.01 4.33 3.57 -1.13 -2.39 116.94 122.96 2wtm h PHE 241 Ca 0.17 -0.20 -0.13 0.00 3.53 0.00 0.00 57.97 61.34 2wtm h PHE 241 Cb 0.40 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2wtm h PHE 241 CO 0.03 0.91 -0.60 0.52 -2.23 0.00 0.00 178.31 176.94 2wtm h MET 242 N 0.56 0.05 -0.59 1.11 2.86 -0.79 -1.41 114.93 116.72 2wtm h MET 242 Ca 0.09 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 2wtm h MET 242 Cb 0.65 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 2wtm h MET 242 CO 0.04 0.63 -0.00 -0.07 1.06 0.00 0.00 176.91 178.57 2wtm h LEU 243 N 0.04 1.01 -0.63 1.22 3.38 -1.10 0.11 115.31 119.33 2wtm h LEU 243 Ca -0.01 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.72 2wtm h LEU 243 Cb 1.06 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 2wtm h LEU 243 CO 0.08 1.06 0.38 -0.08 0.09 0.00 0.00 178.44 179.97 2wtm h GLU 244 N 0.94 0.72 -0.26 1.13 4.81 -1.14 -2.38 114.58 118.41 2wtm h GLU 244 Ca 0.17 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.18 2wtm h GLU 244 Cb 0.55 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2wtm h GLU 244 CO 0.03 0.48 -0.52 1.96 -0.73 0.00 0.00 179.01 180.22 2wtm h GLN 245 N 0.74 0.82 0.00 1.92 1.08 -0.68 -3.13 115.11 115.86 2wtm h GLN 245 Ca 0.26 -0.53 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 2wtm h GLN 245 Cb 0.05 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2wtm h GLN 245 CO -0.12 1.16 0.00 -0.84 -0.95 0.00 0.00 178.83 178.08 2wtm h ILE 246 N 0.58 0.00 0.00 2.54 3.07 -0.90 -2.01 117.51 120.78 2wtm h ILE 246 Ca 0.01 -0.45 0.00 0.00 1.55 0.00 0.00 64.86 65.97 2wtm h ILE 246 Cb 1.13 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 39.03 2wtm h ILE 246 CO 0.12 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.22 2wtm n ALA 247 N -1.93 2.12 0.99 0.16 0.00 -0.90 -5.10 120.51 115.84 2wtm n ALA 247 Ca 0.02 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.53 2wtm n ALA 247 Cb 0.32 -1.42 0.10 0.00 0.00 0.00 0.00 19.45 18.45 2wtm n ALA 247 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13