#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lwv s ILE 12 N 0.00 2.95 0.21 0.55 -1.09 -1.26 -5.12 121.20 117.44 3lwv s ILE 12 Ca 0.00 -0.68 0.08 0.00 -2.23 0.00 0.00 60.65 57.82 3lwv s ILE 12 Cb 0.00 -2.25 -0.04 0.00 -1.58 0.00 0.00 42.46 38.59 3lwv s ILE 12 CO 0.00 0.51 0.01 -0.76 -1.23 0.00 0.00 174.94 173.47 3lwv s LEU 13 N 0.65 3.31 0.65 2.97 1.02 -1.26 -4.86 118.68 121.16 3lwv s LEU 13 Ca -0.07 -0.46 0.38 0.00 0.02 0.00 0.00 54.13 54.01 3lwv s LEU 13 Cb -0.15 -1.92 2.13 0.00 0.02 0.00 0.00 46.19 46.27 3lwv s LEU 13 CO 0.02 0.05 2.26 -0.65 0.02 0.00 0.00 176.35 178.06 3lwv h PRO 14 N 2.37 0.00 0.00 1.29 0.11 -2.00 0.89 132.00 134.66 3lwv h PRO 14 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3lwv h PRO 14 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3lwv h PRO 14 CO 0.59 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.38 3lwv n ALA 15 N -2.13 1.71 0.24 -0.75 0.00 -1.26 -2.82 120.51 115.51 3lwv n ALA 15 Ca -0.02 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.61 3lwv n ALA 15 Cb 0.14 -1.39 0.09 0.00 0.00 0.00 0.00 19.45 18.30 3lwv n ALA 15 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3lwv h ASP 16 N 0.00 0.00 -2.56 0.00 3.32 -1.20 -3.45 116.42 112.52 3lwv h ASP 16 Ca 0.00 -0.04 -0.60 0.00 0.02 0.00 0.00 57.03 56.41 3lwv h ASP 16 Cb 0.39 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.04 3lwv h ASP 16 CO 0.00 0.02 0.32 2.30 -1.72 0.00 0.00 179.24 180.16 3lwv n ILE 17 N -2.67 1.58 -3.11 0.35 -5.35 -1.13 -4.92 119.36 104.12 3lwv n ILE 17 Ca 0.02 -0.39 -0.39 0.00 -0.27 0.00 0.00 62.75 61.72 3lwv n ILE 17 Cb 0.52 -1.17 -0.06 0.00 -1.74 0.00 0.00 39.64 37.19 3lwv n ILE 17 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3lwv s LYS 18 N -1.16 4.40 0.13 6.28 1.02 -1.26 -5.08 119.74 124.07 3lwv s LYS 18 Ca 0.63 0.97 0.06 0.00 0.02 0.00 0.00 55.97 57.65 3lwv s LYS 18 Cb -0.70 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.36 3lwv s LYS 18 CO 0.57 0.58 -0.02 1.03 -0.92 0.00 0.00 175.35 176.59 3lwv s ARG 19 N -1.21 2.39 -0.01 1.68 0.52 -1.26 -5.11 118.95 115.95 3lwv s ARG 19 Ca 0.34 -1.00 -0.19 0.00 -0.52 0.00 0.00 55.73 54.36 3lwv s ARG 19 Cb -0.21 -2.41 -0.05 0.00 0.52 0.00 0.00 34.95 32.80 3lwv s ARG 19 CO 0.23 0.49 0.53 -1.83 0.02 0.00 0.00 175.30 174.74 3lwv s GLU 20 N -2.59 4.22 -0.30 3.54 1.03 -1.26 -4.95 118.70 118.39 3lwv s GLU 20 Ca 0.26 0.61 -0.21 0.00 0.03 0.00 0.00 54.97 55.66 3lwv s GLU 20 Cb -0.10 -3.32 -0.01 0.00 -0.80 0.00 0.00 34.13 29.90 3lwv s GLU 20 CO 0.17 0.44 0.65 0.08 -1.33 0.00 0.00 175.26 175.27 3lwv s VAL 21 N -0.36 4.92 -0.10 1.83 1.01 -1.26 0.17 120.40 126.61 3lwv s VAL 21 Ca 0.28 0.89 -0.15 0.00 0.00 0.00 0.00 61.98 63.01 3lwv s VAL 21 Cb -0.17 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 3lwv s VAL 21 CO 0.15 -0.15 0.37 -0.76 0.00 0.00 0.00 175.10 174.71 3lwv s LEU 22 N 2.65 4.32 -0.25 3.92 1.43 0.28 -4.94 118.68 126.10 3lwv s LEU 22 Ca 0.26 0.71 -0.17 0.00 -1.03 0.00 0.00 54.13 53.90 3lwv s LEU 22 Cb -0.15 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 3lwv s LEU 22 CO 0.12 0.14 0.48 -0.63 0.23 0.00 0.00 176.35 176.70 3lwv s ILE 23 N 0.04 5.10 -0.23 -0.59 -1.09 -1.26 -0.42 121.20 122.75 3lwv s ILE 23 Ca 0.21 0.83 -0.03 0.00 -2.23 0.00 0.00 60.65 59.44 3lwv s ILE 23 Cb -0.14 -3.80 -0.18 0.00 -1.58 0.00 0.00 42.46 36.75 3lwv s ILE 23 CO 0.08 0.13 -0.12 1.17 -1.23 0.00 0.00 174.94 174.97 3lwv n LYS 24 N 5.28 0.66 -3.86 2.79 4.81 -1.09 -4.84 118.16 121.90 3lwv n LYS 24 Ca -0.05 0.20 -0.30 0.00 -0.87 0.00 0.00 58.31 57.29 3lwv n LYS 24 Cb 0.50 -1.56 -0.15 0.00 0.02 0.00 0.00 35.03 33.84 3lwv n LYS 24 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3lwv s ASP 25 N -6.76 4.31 0.56 3.14 -1.08 -1.01 -4.97 116.67 110.86 3lwv s ASP 25 Ca -0.33 -2.05 0.36 0.00 -0.52 0.00 0.00 52.55 50.02 3lwv s ASP 25 Cb 0.09 -1.25 1.70 0.00 -1.46 0.00 0.00 42.92 42.01 3lwv s ASP 25 CO 0.62 -0.37 2.09 -0.33 0.52 0.00 0.00 175.17 177.69 3lwv h GLU 26 N 7.65 0.00 0.00 4.34 3.07 -1.88 -2.69 114.58 125.06 3lwv h GLU 26 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3lwv h GLU 26 Cb 1.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 3lwv h GLU 26 CO 0.51 0.00 -0.42 0.09 -1.40 0.00 0.00 179.01 177.79 3lwv n ASN 27 N -2.99 0.49 -4.71 1.42 3.02 -1.26 -4.91 115.26 106.32 3lwv n ASN 27 Ca -0.01 0.05 -0.42 0.00 -0.03 0.00 0.00 54.58 54.17 3lwv n ASN 27 Cb 0.21 0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 3lwv n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3lwv s ALA 28 N -3.06 3.78 0.28 5.41 0.00 -1.02 -5.02 121.76 122.13 3lwv s ALA 28 Ca 0.10 1.37 0.09 0.00 0.00 0.00 0.00 51.96 53.52 3lwv s ALA 28 Cb 0.16 -3.66 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 3lwv s ALA 28 CO 0.67 -0.91 -0.12 -1.21 0.00 0.00 0.00 175.76 174.19 3lwv s GLU 29 N 1.61 1.59 0.05 0.00 2.02 -1.26 -5.11 118.70 117.60 3lwv s GLU 29 Ca 0.72 -1.77 0.05 0.00 0.02 0.00 0.00 54.97 53.99 3lwv s GLU 29 Cb -0.44 -1.41 -0.04 0.00 0.10 0.00 0.00 34.13 32.35 3lwv s GLU 29 CO 0.32 0.16 -0.10 -0.08 0.02 0.00 0.00 175.26 175.58 3lwv s THR 30 N -2.80 3.41 -0.30 3.63 -1.32 -1.26 -4.70 115.64 112.30 3lwv s THR 30 Ca 0.29 -1.04 -0.20 0.00 -1.21 0.00 0.00 61.69 59.53 3lwv s THR 30 Cb 0.01 -2.53 -0.01 0.00 -1.51 0.00 0.00 72.50 68.46 3lwv s THR 30 CO 0.13 0.27 0.60 0.21 -2.21 0.00 0.00 174.62 173.61 3lwv s ASN 31 N -1.76 6.47 0.00 8.08 3.04 -1.26 -4.96 114.94 124.56 3lwv s ASN 31 Ca 0.19 0.42 0.22 0.00 0.04 0.00 0.00 52.86 53.72 3lwv s ASN 31 Cb -0.11 -2.32 1.20 0.00 -1.54 0.00 0.00 41.25 38.48 3lwv s ASN 31 CO 0.10 -0.44 1.69 -2.65 -3.04 0.00 0.00 177.10 172.75 3lwv n PRO 32 N 5.81 0.50 0.00 0.43 -0.02 -1.26 -2.25 135.00 138.22 3lwv n PRO 32 Ca -0.02 0.04 0.13 0.00 -2.02 0.00 0.00 63.50 61.64 3lwv n PRO 32 Cb 0.49 -1.50 0.45 0.00 -0.02 0.00 0.00 33.50 32.92 3lwv n PRO 32 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3lwv n ASP 33 N -1.14 0.63 -4.49 2.55 8.00 -1.26 -4.89 116.55 115.95 3lwv n ASP 33 Ca 0.13 -0.52 -0.33 0.00 0.71 0.00 0.00 54.79 54.79 3lwv n ASP 33 Cb 0.12 0.04 -0.13 0.00 -0.02 0.00 0.00 41.12 41.13 3lwv n ASP 33 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3lwv s TRP 34 N -2.65 2.74 0.13 1.24 0.51 -0.95 -5.04 118.94 114.91 3lwv s TRP 34 Ca 0.22 -0.13 0.00 0.00 -2.12 0.00 0.00 56.10 54.07 3lwv s TRP 34 Cb 0.19 -1.64 0.00 0.00 -0.81 0.00 0.00 33.47 31.21 3lwv s TRP 34 CO 0.55 0.21 0.00 0.41 -0.51 0.00 0.00 176.95 177.61 3lwv n GLY 35 N 2.27 -1.65 2.72 0.98 0.00 -0.54 -4.86 105.19 104.10 3lwv n GLY 35 Ca -0.17 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 3lwv n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3lwv s PHE 36 N -1.67 1.45 0.62 1.61 0.40 -1.26 -5.08 117.98 114.05 3lwv s PHE 36 Ca 0.00 -1.47 -0.18 0.00 -0.60 0.00 0.00 56.93 54.68 3lwv s PHE 36 Cb 0.00 -1.48 -0.03 0.00 0.51 0.00 0.00 43.02 42.01 3lwv s PHE 36 CO 0.00 -0.82 1.09 -2.30 0.70 0.00 0.00 175.22 173.89 3lwv n PRO 37 N 4.93 0.98 -0.32 0.24 -0.02 -1.26 -4.85 135.00 134.68 3lwv n PRO 37 Ca -0.04 0.38 0.24 0.00 -2.02 0.00 0.00 63.50 62.06 3lwv n PRO 37 Cb 0.43 -2.31 0.46 0.00 -0.02 0.00 0.00 33.50 32.06 3lwv n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3lwv h PRO 38 N 0.49 0.14 -0.76 0.52 0.11 -1.89 0.04 132.00 130.65 3lwv h PRO 38 Ca -0.49 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.46 3lwv h PRO 38 Cb 1.35 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.35 3lwv h PRO 38 CO 0.52 0.09 0.18 0.39 -0.21 0.00 0.00 178.00 178.97 3lwv n GLU 39 N -5.22 3.62 -0.10 1.05 -0.58 -1.26 -3.35 120.64 114.80 3lwv n GLU 39 Ca 0.31 -2.66 0.03 0.00 -0.42 0.00 0.00 57.16 54.42 3lwv n GLU 39 Cb 1.01 -2.11 0.04 0.00 -0.57 0.00 0.00 31.44 29.81 3lwv n GLU 39 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3lwv n LYS 40 N 0.07 1.48 -3.60 3.49 4.81 -0.00 -5.03 118.16 119.38 3lwv n LYS 40 Ca 0.33 -1.55 -0.37 0.00 -0.87 0.00 0.00 58.31 55.85 3lwv n LYS 40 Cb 1.21 -0.98 -0.08 0.00 0.02 0.00 0.00 35.03 35.20 3lwv n LYS 40 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3lwv s ARG 41 N -1.21 4.14 0.50 1.64 0.52 -1.21 -4.83 118.95 118.49 3lwv s ARG 41 Ca 0.09 -0.11 -0.22 0.00 -0.52 0.00 0.00 55.73 54.98 3lwv s ARG 41 Cb 0.08 -3.50 -0.08 0.00 0.52 0.00 0.00 34.95 31.97 3lwv s ARG 41 CO 0.01 0.10 1.00 -2.30 0.02 0.00 0.00 175.30 174.13 3lwv n PRO 42 N 4.11 1.21 -0.35 3.54 -0.02 -1.26 -4.60 135.00 137.63 3lwv n PRO 42 Ca -0.13 0.44 0.17 0.00 -2.02 0.00 0.00 63.50 61.97 3lwv n PRO 42 Cb 0.52 -2.12 0.39 0.00 -0.02 0.00 0.00 33.50 32.27 3lwv n PRO 42 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3lwv h ILE 43 N 1.14 0.55 -0.26 4.25 6.09 -1.99 0.31 117.51 127.60 3lwv h ILE 43 Ca -0.46 -0.20 -0.07 0.00 -1.37 0.00 0.00 64.86 62.76 3lwv h ILE 43 Cb 1.35 -0.09 -0.02 0.00 0.47 0.00 0.00 36.82 38.53 3lwv h ILE 43 CO 0.54 0.11 -0.12 -0.33 -3.07 0.00 0.00 178.15 175.28 3lwv h GLU 44 N 0.59 0.44 0.08 2.19 3.07 -2.01 -2.05 114.58 116.90 3lwv h GLU 44 Ca 0.64 -0.12 -0.29 0.00 -0.50 0.00 0.00 59.36 59.09 3lwv h GLU 44 Cb 1.21 -0.05 0.03 0.00 -0.84 0.00 0.00 28.75 29.10 3lwv h GLU 44 CO -0.46 0.56 -1.18 1.98 -1.40 0.00 0.00 179.01 178.51 3lwv h MET 45 N 0.41 0.62 -0.68 2.33 4.05 -1.32 -2.82 114.93 117.53 3lwv h MET 45 Ca 0.08 -0.79 0.15 0.00 -0.28 0.00 0.00 59.70 58.86 3lwv h MET 45 Cb 0.46 0.25 -0.12 0.00 -0.80 0.00 0.00 31.60 31.39 3lwv h MET 45 CO 0.03 1.35 -0.04 1.25 0.23 0.00 0.00 176.91 179.72 3lwv h HIS 46 N 0.30 -0.13 0.40 1.39 6.17 -0.97 -2.44 115.15 119.87 3lwv h HIS 46 Ca -0.17 0.05 -0.02 0.00 0.71 0.00 0.00 60.37 60.95 3lwv h HIS 46 Cb 1.85 0.16 0.00 0.00 2.52 0.00 0.00 27.41 31.95 3lwv h HIS 46 CO 0.11 -0.23 -0.19 0.82 0.71 0.00 0.00 177.93 179.15 3lwv h ILE 47 N 0.08 0.59 -1.47 6.26 2.04 -1.39 -1.84 117.51 121.77 3lwv h ILE 47 Ca 0.35 -0.36 0.43 0.00 1.00 0.00 0.00 64.86 66.28 3lwv h ILE 47 Cb 0.59 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 3lwv h ILE 47 CO -0.62 0.06 1.16 1.56 0.00 0.00 0.00 178.15 180.31 3lwv h GLN 48 N -0.75 0.00 -0.98 2.37 1.08 -1.28 -0.74 115.11 114.81 3lwv h GLN 48 Ca -0.06 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.69 3lwv h GLN 48 Cb 0.52 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 27.54 3lwv h GLN 48 CO 0.09 0.00 -0.94 1.19 -0.95 0.00 0.00 178.83 178.22 3lwv n PHE 49 N -3.86 2.30 -4.50 2.96 3.72 -0.94 -1.42 117.46 115.72 3lwv n PHE 49 Ca 0.33 -2.61 -0.25 0.00 -0.05 0.00 0.00 57.45 54.87 3lwv n PHE 49 Cb 1.61 -0.25 -0.10 0.00 -0.94 0.00 0.00 39.48 39.80 3lwv n PHE 49 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3lwv s GLY 50 N -3.51 2.03 -0.02 1.37 0.00 -0.29 -1.38 107.32 105.53 3lwv s GLY 50 Ca 0.40 -1.98 0.01 0.00 0.00 0.00 0.00 44.72 43.14 3lwv s GLY 50 CO -0.05 -2.00 -0.01 0.14 0.00 0.00 0.00 173.10 171.19 3lwv s VAL 51 N -2.57 0.17 -0.21 1.40 1.01 0.62 -1.54 120.40 119.27 3lwv s VAL 51 Ca 0.31 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.18 3lwv s VAL 51 Cb -0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.11 3lwv s VAL 51 CO 0.16 0.10 0.20 -0.63 0.00 0.00 0.00 175.10 174.93 3lwv s ILE 52 N 0.53 5.34 -1.26 2.22 1.01 0.57 -0.66 121.20 128.95 3lwv s ILE 52 Ca -0.05 0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.75 3lwv s ILE 52 Cb -0.08 -3.54 0.12 0.00 0.01 0.00 0.00 42.46 38.97 3lwv s ILE 52 CO -0.01 0.36 1.61 -3.20 0.00 0.00 0.00 174.94 173.70 3lwv n ASN 53 N 4.00 5.06 -4.76 3.58 4.05 -1.26 -0.18 115.26 125.75 3lwv n ASN 53 Ca -0.14 -2.95 -0.39 0.00 0.45 0.00 0.00 54.58 51.54 3lwv n ASN 53 Cb 0.52 -1.65 -0.06 0.00 1.23 0.00 0.00 39.78 39.82 3lwv n ASN 53 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 3lwv s LEU 54 N 2.73 4.57 -0.92 1.20 2.96 -1.01 -1.46 118.68 126.74 3lwv s LEU 54 Ca 0.48 2.00 -0.15 0.00 -0.22 0.00 0.00 54.13 56.23 3lwv s LEU 54 Cb 0.01 -3.69 0.19 0.00 0.50 0.00 0.00 46.19 43.19 3lwv s LEU 54 CO 0.04 0.05 0.98 -0.62 -1.32 0.00 0.00 176.35 175.47 3lwv s ASP 55 N -1.20 6.78 0.28 3.68 -1.08 -0.42 -0.34 116.67 124.36 3lwv s ASP 55 Ca 0.44 -2.53 -0.30 0.00 -0.52 0.00 0.00 52.55 49.63 3lwv s ASP 55 Cb -0.26 -2.30 -0.13 0.00 -1.46 0.00 0.00 42.92 38.78 3lwv s ASP 55 CO 0.32 -0.75 1.43 1.17 0.52 0.00 0.00 175.17 177.86 3lwv n LYS 56 N 4.98 2.23 -3.09 4.34 4.81 -0.06 -4.52 118.16 126.86 3lwv n LYS 56 Ca 0.20 0.79 -0.30 0.00 -0.87 0.00 0.00 58.31 58.13 3lwv n LYS 56 Cb 0.47 -2.46 -0.04 0.00 0.02 0.00 0.00 35.03 33.02 3lwv n LYS 56 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3lwv s PRO 57 N -0.76 3.78 0.29 1.64 0.05 -1.26 -2.15 135.00 136.59 3lwv s PRO 57 Ca 0.64 0.37 -0.30 0.00 0.05 0.00 0.00 61.00 61.76 3lwv s PRO 57 Cb -0.59 -2.49 -0.11 0.00 0.05 0.00 0.00 34.50 31.36 3lwv s PRO 57 CO 0.52 0.10 1.48 -2.14 0.05 0.00 0.00 177.00 177.01 3lwv s PRO 58 N -3.51 4.21 0.00 0.56 0.02 -1.26 -4.38 135.00 130.64 3lwv s PRO 58 Ca 0.49 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.93 3lwv s PRO 58 Cb -0.10 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3lwv s PRO 58 CO 0.27 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 176.88 3lwv n GLY 59 N 1.77 1.29 3.78 0.52 0.00 0.10 -4.98 105.19 107.68 3lwv n GLY 59 Ca 0.06 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 3lwv n GLY 59 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3lwv s PRO 60 N 0.00 3.04 1.01 1.61 0.02 -1.26 -4.54 135.00 134.89 3lwv s PRO 60 Ca 0.00 1.31 -0.14 0.00 0.02 0.00 0.00 61.00 62.19 3lwv s PRO 60 Cb 0.00 -1.99 0.20 0.00 0.02 0.00 0.00 34.50 32.73 3lwv s PRO 60 CO 0.00 -1.05 1.13 0.95 -0.33 0.00 0.00 177.00 177.70 3lwv s THR 61 N -2.38 1.91 0.21 0.99 -4.23 -1.26 -4.30 115.64 106.59 3lwv s THR 61 Ca 0.66 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.22 3lwv s THR 61 Cb -0.19 -2.62 -0.09 0.00 1.34 0.00 0.00 72.50 70.95 3lwv s THR 61 CO 0.39 0.00 1.49 0.28 -0.54 0.00 0.00 174.62 176.24 3lwv h SER 62 N -1.90 0.17 -0.26 3.99 0.02 -1.89 -2.74 113.55 110.94 3lwv h SER 62 Ca -0.50 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.30 3lwv h SER 62 Cb 1.32 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 3lwv h SER 62 CO 0.53 0.84 0.05 0.45 -1.14 0.00 0.00 176.83 177.56 3lwv h HIS 63 N 0.09 0.45 0.23 3.45 3.86 -1.92 -2.27 115.15 119.04 3lwv h HIS 63 Ca -0.02 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 3lwv h HIS 63 Cb 1.29 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.64 3lwv h HIS 63 CO 0.02 0.52 -0.11 0.93 0.86 0.00 0.00 177.93 180.15 3lwv h GLU 64 N 0.25 -0.30 -0.70 2.45 5.08 -1.93 -1.54 114.58 117.89 3lwv h GLU 64 Ca 0.08 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.59 3lwv h GLU 64 Cb 0.31 0.07 -0.13 0.00 0.50 0.00 0.00 28.75 29.49 3lwv h GLU 64 CO 0.00 -0.18 -0.30 0.28 -1.00 0.00 0.00 179.01 177.81 3lwv h VAL 65 N -0.32 0.16 -0.70 3.13 2.07 -1.45 0.96 116.25 120.10 3lwv h VAL 65 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3lwv h VAL 65 Cb 0.25 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 3lwv h VAL 65 CO 0.05 0.00 0.44 0.58 0.02 0.00 0.00 177.57 178.66 3lwv h VAL 66 N -0.09 1.19 -0.68 2.57 2.07 -1.17 -2.27 116.25 117.86 3lwv h VAL 66 Ca 0.29 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 3lwv h VAL 66 Cb 0.56 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3lwv h VAL 66 CO -0.76 0.19 0.15 0.00 0.02 0.00 0.00 177.57 177.17 3lwv h ALA 67 N 1.54 0.98 -0.15 1.67 0.00 0.17 -1.88 119.26 121.59 3lwv h ALA 67 Ca 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3lwv h ALA 67 Cb -0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3lwv h ALA 67 CO -0.05 0.66 0.08 -1.49 0.00 0.00 0.00 179.25 178.45 3lwv h TRP 68 N 1.04 0.20 -0.59 0.00 6.55 -0.87 -2.47 115.95 119.80 3lwv h TRP 68 Ca 0.21 -0.00 0.10 0.00 0.95 0.00 0.00 58.89 60.15 3lwv h TRP 68 Cb 0.38 -0.06 -0.08 0.00 -0.86 0.00 0.00 29.16 28.54 3lwv h TRP 68 CO 0.03 0.20 0.17 0.82 -1.05 0.00 0.00 178.44 178.60 3lwv h ILE 69 N 0.14 0.70 -0.30 1.49 2.04 -1.19 0.11 117.51 120.50 3lwv h ILE 69 Ca 0.05 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.81 3lwv h ILE 69 Cb 0.06 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 3lwv h ILE 69 CO -0.01 0.06 0.18 0.11 0.00 0.00 0.00 178.15 178.49 3lwv h LYS 70 N 0.32 0.36 -0.20 2.37 1.57 -1.19 0.41 116.57 120.21 3lwv h LYS 70 Ca 0.30 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.95 3lwv h LYS 70 Cb 0.42 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3lwv h LYS 70 CO -0.35 0.24 -0.31 1.57 -0.57 0.00 0.00 179.45 180.03 3lwv h LYS 71 N 0.37 0.56 -0.16 3.15 5.09 -1.03 0.25 116.57 124.81 3lwv h LYS 71 Ca 0.12 -0.34 -0.16 0.00 0.09 0.00 0.00 60.65 60.36 3lwv h LYS 71 Cb -0.01 0.03 -0.01 0.00 0.10 0.00 0.00 32.23 32.35 3lwv h LYS 71 CO -0.05 0.94 -0.57 0.82 -2.09 0.00 0.00 179.45 178.50 3lwv h ILE 72 N 0.24 1.33 -0.13 0.07 2.04 -0.73 -2.73 117.51 117.61 3lwv h ILE 72 Ca 0.02 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 64.03 3lwv h ILE 72 Cb 0.89 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 3lwv h ILE 72 CO 0.07 0.57 0.00 0.18 0.00 0.00 0.00 178.15 178.97 3lwv n LEU 73 N -3.94 1.85 -3.43 1.44 4.77 0.13 -4.96 117.00 112.85 3lwv n LEU 73 Ca -0.03 -0.72 -0.21 0.00 -0.03 0.00 0.00 56.01 55.01 3lwv n LEU 73 Cb 0.62 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.69 3lwv n LEU 73 CO 0.47 0.36 -0.01 0.59 -1.33 0.00 0.00 177.39 177.47 3lwv n ASN 74 N 0.44 -5.80 -4.63 -1.43 3.02 -0.22 -5.00 115.26 101.65 3lwv n ASN 74 Ca 0.17 -0.83 -0.31 0.00 -0.03 0.00 0.00 54.58 53.59 3lwv n ASN 74 Cb 0.38 -4.49 -0.09 0.00 -0.61 0.00 0.00 39.78 34.97 3lwv n ASN 74 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3lwv s LEU 75 N -5.87 3.25 0.03 3.41 1.43 0.70 -5.03 118.68 116.60 3lwv s LEU 75 Ca 0.43 -0.22 -0.17 0.00 -1.03 0.00 0.00 54.13 53.14 3lwv s LEU 75 Cb -0.10 -1.97 -0.27 0.00 0.03 0.00 0.00 46.19 43.88 3lwv s LEU 75 CO 0.79 0.21 1.08 -0.33 0.23 0.00 0.00 176.35 178.33 3lwv h GLU 76 N 3.84 0.54 -3.74 1.70 5.08 -1.94 -3.44 114.58 116.61 3lwv h GLU 76 Ca -0.48 -0.67 -0.19 0.00 -1.00 0.00 0.00 59.36 57.02 3lwv h GLU 76 Cb 1.17 0.22 -0.24 0.00 0.50 0.00 0.00 28.75 30.39 3lwv h GLU 76 CO 0.56 1.28 -0.65 0.21 -1.00 0.00 0.00 179.01 179.41 3lwv s LYS 77 N -3.01 0.22 -0.27 2.33 2.20 -1.26 -5.05 119.74 114.90 3lwv s LYS 77 Ca -0.11 -0.27 -0.26 0.00 -0.36 0.00 0.00 55.97 54.96 3lwv s LYS 77 Cb 0.04 0.09 0.15 0.00 -1.51 0.00 0.00 37.83 36.60 3lwv s LYS 77 CO 0.89 -0.04 1.19 0.00 -0.36 0.00 0.00 175.35 177.03 3lwv s ALA 78 N -0.78 -2.06 0.02 3.13 0.00 -1.26 -1.06 121.76 119.75 3lwv s ALA 78 Ca -0.09 1.77 0.01 0.00 0.00 0.00 0.00 51.96 53.65 3lwv s ALA 78 Cb -0.05 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 3lwv s ALA 78 CO -0.00 -0.20 -0.04 0.20 0.00 0.00 0.00 175.76 175.72 3lwv s GLY 79 N -0.18 0.26 0.53 0.00 0.00 -0.68 -4.99 107.32 102.25 3lwv s GLY 79 Ca 0.04 -0.45 -0.01 0.00 0.00 0.00 0.00 44.72 44.30 3lwv s GLY 79 CO -0.08 -0.49 0.78 -2.38 0.00 0.00 0.00 173.10 170.93 3lwv s HIS 80 N -0.93 3.05 0.00 1.90 -3.43 -1.26 -0.87 115.29 113.75 3lwv s HIS 80 Ca -0.08 0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.38 3lwv s HIS 80 Cb -0.07 -2.63 0.00 0.00 -1.43 0.00 0.00 32.58 28.45 3lwv s HIS 80 CO -0.00 -0.73 0.00 0.41 -2.00 0.00 0.00 174.74 172.42 3lwv n GLY 81 N -2.33 1.03 3.68 -1.38 0.00 -0.71 -4.92 105.19 100.55 3lwv n GLY 81 Ca 0.05 -1.42 -0.59 0.00 0.00 0.00 0.00 46.02 44.06 3lwv n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lwv n GLY 82 N 5.00 0.54 3.75 -0.02 0.00 -1.26 -4.86 105.19 108.34 3lwv n GLY 82 Ca 0.00 0.89 -0.42 0.00 0.00 0.00 0.00 46.02 46.50 3lwv n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3lwv s THR 83 N 2.55 2.14 -0.08 2.61 2.01 -1.26 -4.90 115.64 118.71 3lwv s THR 83 Ca 0.97 0.12 -0.02 0.00 0.31 0.00 0.00 61.69 63.06 3lwv s THR 83 Cb -1.16 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 3lwv s THR 83 CO 0.65 0.02 0.02 -0.76 -0.69 0.00 0.00 174.62 173.86 3lwv s LEU 84 N -0.36 3.67 0.78 4.42 1.43 -1.26 -5.08 118.68 122.29 3lwv s LEU 84 Ca 0.64 0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.78 3lwv s LEU 84 Cb -0.47 -1.89 0.07 0.00 0.03 0.00 0.00 46.19 43.93 3lwv s LEU 84 CO 0.46 0.37 1.14 -1.81 0.23 0.00 0.00 176.35 176.73 3lwv s ASP 85 N -1.02 4.10 0.29 2.29 -0.00 -1.26 -3.74 116.67 117.33 3lwv s ASP 85 Ca 0.15 2.07 0.03 0.00 -0.00 0.00 0.00 52.55 54.80 3lwv s ASP 85 Cb -0.11 -2.55 0.63 0.00 -0.00 0.00 0.00 42.92 40.88 3lwv s ASP 85 CO 0.04 -2.31 1.80 -0.65 -0.00 0.00 0.00 175.17 174.04 3lwv h PRO 86 N -0.95 0.80 0.00 8.23 0.11 -1.84 -1.74 132.00 136.62 3lwv h PRO 86 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3lwv h PRO 86 Cb 1.26 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3lwv h PRO 86 CO 0.49 0.53 -0.28 1.63 -0.21 0.00 0.00 178.00 180.16 3lwv n LYS 87 N -4.73 0.17 -2.91 1.05 4.01 -1.26 0.01 118.16 114.50 3lwv n LYS 87 Ca 0.20 0.09 -0.36 0.00 -0.51 0.00 0.00 58.31 57.73 3lwv n LYS 87 Cb 0.46 -1.65 -0.06 0.00 -0.51 0.00 0.00 35.03 33.27 3lwv n LYS 87 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3lwv s VAL 88 N -3.08 4.36 0.22 -0.18 1.01 -0.65 -4.60 120.40 117.48 3lwv s VAL 88 Ca 0.10 1.59 0.01 0.00 0.00 0.00 0.00 61.98 63.68 3lwv s VAL 88 Cb 0.15 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.61 3lwv s VAL 88 CO 0.64 0.14 0.07 -1.54 0.00 0.00 0.00 175.10 174.41 3lwv n SER 89 N 0.54 2.24 0.00 3.32 3.41 -1.09 -4.18 113.62 117.86 3lwv n SER 89 Ca 0.01 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 3lwv n SER 89 Cb 0.51 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3lwv n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3lwv n GLY 90 N 2.31 -1.86 3.60 5.00 0.00 -0.91 -0.82 105.19 112.49 3lwv n GLY 90 Ca -0.06 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 3lwv n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lwv s VAL 91 N 0.00 3.03 -0.31 1.61 1.01 -0.29 -0.88 120.40 124.57 3lwv s VAL 91 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.03 3lwv s VAL 91 Cb 0.00 -3.04 0.09 0.00 0.00 0.00 0.00 36.38 33.43 3lwv s VAL 91 CO 0.00 -0.03 0.04 -0.22 0.00 0.00 0.00 175.10 174.89 3lwv s LEU 92 N 8.65 3.60 0.16 3.92 2.96 0.54 -4.84 118.68 133.67 3lwv s LEU 92 Ca 0.99 -1.81 -0.30 0.00 -0.22 0.00 0.00 54.13 52.79 3lwv s LEU 92 Cb -0.31 -1.33 -0.08 0.00 0.50 0.00 0.00 46.19 44.97 3lwv s LEU 92 CO 0.34 -0.36 1.32 -2.84 -1.32 0.00 0.00 176.35 173.49 3lwv s PRO 93 N 1.20 4.38 -0.27 0.98 0.02 -1.26 -2.42 135.00 137.63 3lwv s PRO 93 Ca 0.07 2.03 0.02 0.00 0.02 0.00 0.00 61.00 63.14 3lwv s PRO 93 Cb -0.19 -3.22 0.08 0.00 0.02 0.00 0.00 34.50 31.19 3lwv s PRO 93 CO -0.13 -0.30 -0.02 0.08 -0.33 0.00 0.00 177.00 176.31 3lwv s VAL 94 N 0.46 1.74 0.15 3.83 1.01 0.75 -1.74 120.40 126.60 3lwv s VAL 94 Ca 0.59 -1.60 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 3lwv s VAL 94 Cb -0.36 -2.09 -0.07 0.00 0.00 0.00 0.00 36.38 33.87 3lwv s VAL 94 CO 0.35 -0.29 1.09 0.00 0.00 0.00 0.00 175.10 176.25 3lwv s ALA 95 N 1.25 3.35 -0.02 5.51 0.00 -0.05 -0.31 121.76 131.48 3lwv s ALA 95 Ca -0.00 0.78 0.01 0.00 0.00 0.00 0.00 51.96 52.75 3lwv s ALA 95 Cb -0.19 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 3lwv s ALA 95 CO -0.09 -0.21 -0.03 -0.51 0.00 0.00 0.00 175.76 174.92 3lwv s LEU 96 N -0.12 3.37 0.00 0.00 1.43 -0.59 -1.69 118.68 121.08 3lwv s LEU 96 Ca 0.50 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 3lwv s LEU 96 Cb -0.28 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.06 3lwv s LEU 96 CO 0.33 0.31 0.00 -0.62 0.23 0.00 0.00 176.35 176.60 3lwv n GLU 97 N 1.67 0.00 0.00 1.70 -0.58 -0.22 -0.95 120.64 122.25 3lwv n GLU 97 Ca -0.16 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.67 3lwv n GLU 97 Cb 0.53 0.00 0.38 0.00 -0.57 0.00 0.00 31.44 31.78 3lwv n GLU 97 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3lwv n LYS 98 N 14.00 0.00 0.00 3.49 5.02 -0.51 -2.25 118.16 137.91 3lwv n LYS 98 Ca 0.00 0.19 0.12 0.00 -2.02 0.00 0.00 58.31 56.61 3lwv n LYS 98 Cb 0.00 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 33.80 3lwv n LYS 98 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3lwv n ALA 99 N -1.50 3.40 -0.33 7.82 0.00 -0.13 -4.54 120.51 125.23 3lwv n ALA 99 Ca 0.04 -0.37 0.16 0.00 0.00 0.00 0.00 53.44 53.28 3lwv n ALA 99 Cb 0.21 -1.13 0.39 0.00 0.00 0.00 0.00 19.45 18.92 3lwv n ALA 99 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3lwv h THR 100 N 0.38 0.66 0.00 0.00 2.02 -1.45 0.50 112.91 115.01 3lwv h THR 100 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3lwv h THR 100 Cb 0.50 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3lwv h THR 100 CO 0.00 0.12 0.00 0.54 0.37 0.00 0.00 175.52 176.55 3lwv n ARG 101 N -4.72 0.15 0.00 6.66 1.74 -1.26 -2.86 116.66 116.37 3lwv n ARG 101 Ca 0.23 0.37 0.05 0.00 -0.77 0.00 0.00 57.85 57.73 3lwv n ARG 101 Cb 0.66 -1.78 0.22 0.00 -1.02 0.00 0.00 32.46 30.54 3lwv n ARG 101 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3lwv n VAL 102 N -2.06 1.20 0.29 1.55 0.24 0.16 -2.07 118.33 117.65 3lwv n VAL 102 Ca 0.03 0.30 0.17 0.00 -2.04 0.00 0.00 64.34 62.80 3lwv n VAL 102 Cb 0.23 -1.13 0.96 0.00 -1.47 0.00 0.00 33.84 32.43 3lwv n VAL 102 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 3lwv h VAL 103 N 0.00 0.40 0.00 3.34 -1.51 -1.73 0.30 116.25 117.05 3lwv h VAL 103 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3lwv h VAL 103 Cb 0.15 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 3lwv h VAL 103 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 177.57 176.40 3lwv h GLN 104 N 0.00 0.00 0.00 5.19 3.07 -1.69 -0.58 115.11 121.09 3lwv h GLN 104 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.69 3lwv h GLN 104 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.66 3lwv h GLN 104 CO -0.00 0.00 -0.68 0.00 0.09 0.00 0.00 178.83 178.24 3lwv h ALA 105 N 2.14 0.71 0.00 0.06 0.00 -1.15 -3.36 119.26 117.65 3lwv h ALA 105 Ca 0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 3lwv h ALA 105 Cb 0.37 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3lwv h ALA 105 CO 0.00 0.35 -1.36 1.28 0.00 0.00 0.00 179.25 179.52 3lwv n LEU 106 N -2.98 0.83 -0.12 0.00 4.32 -0.29 -4.54 117.00 114.23 3lwv n LEU 106 Ca -0.00 0.36 -0.10 0.00 -0.02 0.00 0.00 56.01 56.25 3lwv n LEU 106 Cb 0.65 0.05 -0.02 0.00 -1.62 0.00 0.00 43.42 42.49 3lwv n LEU 106 CO 0.39 0.08 0.86 -0.07 -1.22 0.00 0.00 177.39 177.43 3lwv h LEU 107 N 0.00 0.55 -1.57 2.23 3.38 -1.54 -2.91 115.31 115.45 3lwv h LEU 107 Ca -0.14 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 3lwv h LEU 107 Cb 1.47 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 3lwv h LEU 107 CO 0.04 0.63 -0.11 1.55 0.09 0.00 0.00 178.44 180.64 3lwv h PRO 108 N 0.44 0.00 -7.32 1.13 0.13 -1.83 -3.45 132.00 121.10 3lwv h PRO 108 Ca 0.11 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.73 3lwv h PRO 108 Cb 0.30 0.00 0.14 0.00 0.13 0.00 0.00 31.00 31.56 3lwv h PRO 108 CO 0.00 0.11 0.30 0.00 -0.23 0.00 0.00 178.00 178.18 3lwv s ALA 109 N -3.82 2.11 0.55 -0.56 0.00 -1.10 -4.23 121.76 114.72 3lwv s ALA 109 Ca -0.00 0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.09 3lwv s ALA 109 Cb 0.11 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 3lwv s ALA 109 CO 0.57 -1.90 0.91 0.20 0.00 0.00 0.00 175.76 175.55 3lwv s GLY 110 N -3.38 1.59 0.38 0.00 0.00 -1.26 -4.01 107.32 100.64 3lwv s GLY 110 Ca 0.62 -0.28 0.06 0.00 0.00 0.00 0.00 44.72 45.12 3lwv s GLY 110 CO 0.56 -0.06 0.02 0.54 0.00 0.00 0.00 173.10 174.16 3lwv s LYS 111 N -4.95 1.84 -0.03 2.90 -0.14 -0.55 -1.55 119.74 117.26 3lwv s LYS 111 Ca 0.51 -2.03 -0.02 0.00 -1.36 0.00 0.00 55.97 53.07 3lwv s LYS 111 Cb -0.11 -1.39 0.01 0.00 -1.68 0.00 0.00 37.83 34.66 3lwv s LYS 111 CO 0.49 -0.08 0.08 -2.00 -0.76 0.00 0.00 175.35 173.08 3lwv s GLU 112 N -3.76 0.08 0.12 1.68 2.12 -0.27 -1.22 118.70 117.45 3lwv s GLU 112 Ca 0.35 0.13 0.04 0.00 0.36 0.00 0.00 54.97 55.85 3lwv s GLU 112 Cb 0.09 -0.00 -0.04 0.00 0.26 0.00 0.00 34.13 34.44 3lwv s GLU 112 CO 0.17 -0.04 -0.10 0.71 -0.54 0.00 0.00 175.26 175.46 3lwv s TYR 113 N 0.22 1.14 -0.24 5.30 1.51 0.17 -0.24 117.35 125.21 3lwv s TYR 113 Ca -0.01 -0.72 -0.01 0.00 -1.01 0.00 0.00 57.07 55.32 3lwv s TYR 113 Cb -0.02 -0.61 0.03 0.00 -0.11 0.00 0.00 41.96 41.25 3lwv s TYR 113 CO -0.01 0.02 -0.07 0.08 -1.11 0.00 0.00 175.55 174.46 3lwv s VAL 114 N -2.90 2.77 0.20 0.71 1.01 -0.21 -0.83 120.40 121.16 3lwv s VAL 114 Ca 0.11 -1.06 0.09 0.00 0.00 0.00 0.00 61.98 61.12 3lwv s VAL 114 Cb 0.00 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3lwv s VAL 114 CO -0.00 0.20 -0.10 0.00 0.00 0.00 0.00 175.10 175.21 3lwv s ALA 115 N 1.31 2.94 -0.27 5.51 0.00 -0.24 -2.07 121.76 128.94 3lwv s ALA 115 Ca -0.00 -1.55 0.02 0.00 0.00 0.00 0.00 51.96 50.43 3lwv s ALA 115 Cb -0.17 -0.68 0.06 0.00 0.00 0.00 0.00 23.12 22.33 3lwv s ALA 115 CO -0.05 0.41 -0.09 -1.17 0.00 0.00 0.00 175.76 174.86 3lwv s LEU 116 N -3.03 3.56 -0.09 0.00 2.96 0.00 -2.00 118.68 120.10 3lwv s LEU 116 Ca 0.26 -1.41 -0.12 0.00 -0.22 0.00 0.00 54.13 52.64 3lwv s LEU 116 Cb -0.08 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 3lwv s LEU 116 CO 0.16 -0.21 0.29 -0.32 -1.32 0.00 0.00 176.35 174.95 3lwv s MET 117 N 1.12 3.90 -0.23 1.98 -2.45 0.34 -1.01 119.30 122.94 3lwv s MET 117 Ca -0.08 0.15 -0.03 0.00 -1.25 0.00 0.00 55.69 54.48 3lwv s MET 117 Cb -0.20 -3.28 0.01 0.00 1.25 0.00 0.00 34.83 32.60 3lwv s MET 117 CO -0.05 0.56 -0.05 -1.58 1.05 0.00 0.00 175.02 174.96 3lwv s HIS 118 N -0.53 3.00 0.37 4.11 2.46 0.86 -0.48 115.29 125.08 3lwv s HIS 118 Ca 0.19 -1.19 -0.25 0.00 0.47 0.00 0.00 55.06 54.28 3lwv s HIS 118 Cb -0.14 -2.09 -0.10 0.00 -0.13 0.00 0.00 32.58 30.12 3lwv s HIS 118 CO 0.07 -0.63 1.00 -0.51 -2.47 0.00 0.00 174.74 172.21 3lwv s LEU 119 N 1.42 4.20 0.00 8.88 1.43 0.27 -0.96 118.68 133.93 3lwv s LEU 119 Ca 0.04 1.93 0.27 0.00 -1.03 0.00 0.00 54.13 55.33 3lwv s LEU 119 Cb -0.15 -4.15 0.78 0.00 0.03 0.00 0.00 46.19 42.70 3lwv s LEU 119 CO -0.04 -0.31 1.58 1.41 0.23 0.00 0.00 176.35 179.22 3lwv n HIS 120 N 0.13 0.00 -4.00 0.29 8.25 -0.79 -4.87 115.22 114.24 3lwv n HIS 120 Ca 0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.38 3lwv n HIS 120 Cb 0.50 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.55 3lwv n HIS 120 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3lwv s GLY 121 N -2.17 0.94 -0.08 -1.41 0.00 -1.26 -4.97 107.32 98.36 3lwv s GLY 121 Ca 0.31 -1.14 -0.25 0.00 0.00 0.00 0.00 44.72 43.65 3lwv s GLY 121 CO 0.40 -0.72 0.76 0.99 0.00 0.00 0.00 173.10 174.52 3lwv s ASP 122 N -3.13 7.03 -0.03 1.64 1.01 -1.26 -4.90 116.67 117.03 3lwv s ASP 122 Ca 0.24 1.24 0.01 0.00 0.71 0.00 0.00 52.55 54.76 3lwv s ASP 122 Cb -0.02 -2.44 0.01 0.00 1.01 0.00 0.00 42.92 41.49 3lwv s ASP 122 CO 0.15 -0.19 -0.04 -0.69 0.21 0.00 0.00 175.17 174.61 3lwv s VAL 123 N 1.08 0.43 0.39 -1.27 1.01 -1.26 -5.05 120.40 115.73 3lwv s VAL 123 Ca 0.39 -0.12 -0.25 0.00 0.00 0.00 0.00 61.98 62.00 3lwv s VAL 123 Cb -0.18 -0.44 -0.11 0.00 0.00 0.00 0.00 36.38 35.65 3lwv s VAL 123 CO 0.18 0.17 1.08 -2.65 0.00 0.00 0.00 175.10 173.88 3lwv n PRO 124 N 3.66 1.51 0.13 2.72 -0.02 -1.26 -4.83 135.00 136.91 3lwv n PRO 124 Ca -0.21 0.54 0.17 0.00 -2.02 0.00 0.00 63.50 61.98 3lwv n PRO 124 Cb 0.53 -2.09 0.75 0.00 -0.02 0.00 0.00 33.50 32.66 3lwv n PRO 124 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3lwv h GLU 125 N 1.78 0.00 0.13 -0.52 5.08 -1.99 -1.94 114.58 117.11 3lwv h GLU 125 Ca -0.44 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.64 3lwv h GLU 125 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3lwv h GLU 125 CO 0.58 0.00 -1.30 0.38 -1.00 0.00 0.00 179.01 177.68 3lwv h ASP 126 N 0.00 0.41 0.38 1.42 3.04 -1.99 -2.65 116.42 117.03 3lwv h ASP 126 Ca 0.14 -0.46 -0.02 0.00 -3.24 0.00 0.00 57.03 53.45 3lwv h ASP 126 Cb 0.66 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 38.82 3lwv h ASP 126 CO -0.00 1.37 -0.18 0.50 -2.04 0.00 0.00 179.24 178.88 3lwv h LYS 127 N 0.07 -0.49 -0.08 4.15 3.11 -1.76 -1.93 116.57 119.64 3lwv h LYS 127 Ca -0.15 0.03 0.02 0.00 -2.81 0.00 0.00 60.65 57.74 3lwv h LYS 127 Cb 1.98 0.11 -0.04 0.00 -1.00 0.00 0.00 32.23 33.28 3lwv h LYS 127 CO 0.20 -0.26 -0.31 0.82 -2.81 0.00 0.00 179.45 177.09 3lwv h ILE 128 N -0.63 0.00 -1.00 2.00 2.04 -1.46 0.77 117.51 119.22 3lwv h ILE 128 Ca -0.05 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.02 3lwv h ILE 128 Cb 0.46 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.43 3lwv h ILE 128 CO 0.09 0.00 0.60 0.40 0.00 0.00 0.00 178.15 179.24 3lwv h ILE 129 N -0.33 0.65 -0.18 -0.67 2.04 -1.50 -1.49 117.51 116.03 3lwv h ILE 129 Ca 0.02 -0.24 -0.21 0.00 1.00 0.00 0.00 64.86 65.43 3lwv h ILE 129 Cb 0.39 -0.12 0.01 0.00 -0.74 0.00 0.00 36.82 36.36 3lwv h ILE 129 CO -0.25 0.13 -0.72 -0.61 0.00 0.00 0.00 178.15 176.70 3lwv h GLN 130 N 0.70 0.77 -0.37 2.37 4.15 -0.70 -2.58 115.11 119.45 3lwv h GLN 130 Ca 0.60 -0.59 -0.15 0.00 0.77 0.00 0.00 58.65 59.28 3lwv h GLN 130 Cb 1.01 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 3lwv h GLN 130 CO -0.41 1.21 -0.37 0.28 -1.93 0.00 0.00 178.83 177.60 3lwv h VAL 131 N 0.54 1.28 -0.54 2.39 2.07 -0.04 -3.04 116.25 118.91 3lwv h VAL 131 Ca -0.03 -1.54 -0.05 0.00 0.82 0.00 0.00 66.70 65.89 3lwv h VAL 131 Cb 1.33 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 3lwv h VAL 131 CO 0.15 0.51 0.14 0.24 0.02 0.00 0.00 177.57 178.64 3lwv h MET 132 N 0.71 0.82 -0.90 1.57 2.86 -1.36 -2.38 114.93 116.25 3lwv h MET 132 Ca 0.06 -0.16 0.24 0.00 -2.06 0.00 0.00 59.70 57.78 3lwv h MET 132 Cb 0.96 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 32.45 3lwv h MET 132 CO 0.09 0.73 0.63 -0.22 1.06 0.00 0.00 176.91 179.20 3lwv h LYS 133 N 0.80 0.11 0.00 1.72 3.64 -1.33 -1.86 116.57 119.64 3lwv h LYS 133 Ca 0.18 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3lwv h LYS 133 Cb 0.27 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3lwv h LYS 133 CO -0.00 0.08 0.00 0.39 -2.27 0.00 0.00 179.45 177.64 3lwv n GLU 134 N -4.35 0.06 0.08 1.90 1.02 -0.90 -3.10 120.64 115.36 3lwv n GLU 134 Ca 0.19 0.11 0.12 0.00 -0.02 0.00 0.00 57.16 57.56 3lwv n GLU 134 Cb 0.89 -1.58 0.21 0.00 -0.02 0.00 0.00 31.44 30.94 3lwv n GLU 134 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 3lwv h PHE 135 N 0.00 0.00 -3.28 -0.32 0.04 -1.47 -3.46 116.94 108.46 3lwv h PHE 135 Ca 0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 3lwv h PHE 135 Cb 0.49 0.00 0.11 0.00 2.20 0.00 0.00 35.95 38.75 3lwv h PHE 135 CO 0.00 0.00 0.50 0.39 -0.60 0.00 0.00 178.31 178.60 3lwv n GLU 136 N -2.23 2.11 0.00 1.51 1.02 -1.18 -4.61 120.64 117.26 3lwv n GLU 136 Ca 0.04 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 3lwv n GLU 136 Cb 0.45 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 3lwv n GLU 136 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3lwv n GLY 137 N 0.82 -1.25 3.80 0.62 0.00 -0.20 -4.95 105.19 104.03 3lwv n GLY 137 Ca 0.05 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.70 3lwv n GLY 137 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lwv s GLU 138 N 0.00 4.12 0.23 1.61 2.02 -1.26 -0.87 118.70 124.54 3lwv s GLU 138 Ca 0.00 1.32 0.00 0.00 0.02 0.00 0.00 54.97 56.31 3lwv s GLU 138 Cb 0.00 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.88 3lwv s GLU 138 CO 0.00 -0.15 0.14 0.96 0.02 0.00 0.00 175.26 176.23 3lwv s ILE 139 N -1.92 0.10 -0.03 -1.63 -4.36 0.21 -4.91 121.20 108.65 3lwv s ILE 139 Ca 0.61 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.99 3lwv s ILE 139 Cb -0.16 -2.52 0.03 0.00 1.25 0.00 0.00 42.46 41.07 3lwv s ILE 139 CO 0.20 0.00 0.06 0.27 0.24 0.00 0.00 174.94 175.71 3lwv s ILE 140 N -4.01 -0.07 0.16 8.37 -4.36 -1.26 -0.59 121.20 119.45 3lwv s ILE 140 Ca 0.39 0.23 0.07 0.00 -0.26 0.00 0.00 60.65 61.08 3lwv s ILE 140 Cb 0.07 -0.12 -0.04 0.00 1.25 0.00 0.00 42.46 43.61 3lwv s ILE 140 CO 0.14 0.09 -0.15 0.00 0.24 0.00 0.00 174.94 175.26 3lwv s GLN 141 N 1.20 1.21 -0.25 0.37 -2.07 -0.56 -4.96 119.66 114.60 3lwv s GLN 141 Ca -0.08 -1.42 -0.20 0.00 -1.82 0.00 0.00 55.36 51.84 3lwv s GLN 141 Cb -0.13 -1.10 -0.02 0.00 -1.09 0.00 0.00 33.01 30.68 3lwv s GLN 141 CO -0.04 0.20 0.61 0.50 -1.32 0.00 0.00 175.29 175.25 3lwv s ARG 142 N -3.10 4.12 -0.01 9.60 6.06 -1.26 -2.61 118.95 131.75 3lwv s ARG 142 Ca 0.16 0.52 0.08 0.00 -2.50 0.00 0.00 55.73 53.99 3lwv s ARG 142 Cb -0.03 -3.64 -0.02 0.00 0.06 0.00 0.00 34.95 31.32 3lwv s ARG 142 CO 0.05 -0.38 -0.25 -1.17 -2.50 0.00 0.00 175.30 171.06 3lwv s LEU 153 N 2.38 2.06 -0.02 -0.88 2.96 -1.26 -5.12 118.68 118.80 3lwv s LEU 153 Ca 0.26 -0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 53.41 3lwv s LEU 153 Cb -0.16 -1.28 0.10 0.00 0.50 0.00 0.00 46.19 45.36 3lwv s LEU 153 CO 0.09 0.30 0.95 0.00 -1.32 0.00 0.00 176.35 176.36 3lwv s ARG 154 N -0.65 0.77 -0.05 1.98 1.70 -1.07 -5.18 118.95 116.46 3lwv s ARG 154 Ca 0.10 -0.31 -0.02 0.00 -0.47 0.00 0.00 55.73 55.03 3lwv s ARG 154 Cb -0.10 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.59 3lwv s ARG 154 CO -0.01 -0.34 0.08 -0.08 -1.08 0.00 0.00 175.30 173.87 3lwv s THR 155 N -3.02 4.82 -0.01 4.99 -1.32 -1.26 -1.50 115.64 118.34 3lwv s THR 155 Ca 0.06 -0.24 -0.09 0.00 -1.21 0.00 0.00 61.69 60.22 3lwv s THR 155 Cb -0.01 -3.15 0.01 0.00 -1.51 0.00 0.00 72.50 67.84 3lwv s THR 155 CO -0.07 0.46 0.18 -0.60 -2.21 0.00 0.00 174.62 172.38 3lwv s ARG 156 N -1.41 0.48 -0.16 7.08 6.06 0.24 -4.99 118.95 126.25 3lwv s ARG 156 Ca 0.19 -0.25 -0.05 0.00 -2.50 0.00 0.00 55.73 53.12 3lwv s ARG 156 Cb -0.12 0.20 -0.03 0.00 0.06 0.00 0.00 34.95 35.06 3lwv s ARG 156 CO 0.10 -0.11 0.02 0.21 -2.50 0.00 0.00 175.30 173.01 3lwv s LYS 157 N -1.13 3.73 -0.40 5.12 2.20 -1.26 -0.62 119.74 127.37 3lwv s LYS 157 Ca -0.12 -0.41 -0.13 0.00 -0.36 0.00 0.00 55.97 54.95 3lwv s LYS 157 Cb -0.06 -3.05 0.04 0.00 -1.51 0.00 0.00 37.83 33.25 3lwv s LYS 157 CO 0.02 0.33 0.26 0.08 -0.36 0.00 0.00 175.35 175.68 3lwv s VAL 158 N 0.17 4.83 0.14 4.02 1.01 -0.05 -1.01 120.40 129.51 3lwv s VAL 158 Ca 0.02 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 3lwv s VAL 158 Cb -0.13 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 3lwv s VAL 158 CO 0.01 -0.33 1.40 1.88 0.00 0.00 0.00 175.10 178.06 3lwv h TYR 159 N 8.53 0.93 -2.05 5.22 -1.99 -0.91 -0.51 116.97 126.19 3lwv h TYR 159 Ca -0.26 -0.37 0.02 0.00 2.00 0.00 0.00 58.73 60.13 3lwv h TYR 159 Cb 1.11 -0.16 -0.19 0.00 2.00 0.00 0.00 36.73 39.49 3lwv h TYR 159 CO 0.58 1.17 0.36 1.52 -0.00 0.00 0.00 178.16 181.79 3lwv s TYR 160 N -3.90 -0.49 -0.05 4.88 1.13 -1.17 -4.80 117.35 112.94 3lwv s TYR 160 Ca -0.09 0.69 0.02 0.00 -1.41 0.00 0.00 57.07 56.28 3lwv s TYR 160 Cb 0.10 0.47 0.01 0.00 -1.10 0.00 0.00 41.96 41.44 3lwv s TYR 160 CO 0.88 -0.54 -0.12 0.42 -2.51 0.00 0.00 175.55 173.68 3lwv s ILE 161 N -1.88 1.07 -0.09 -3.49 1.01 -1.26 -1.07 121.20 115.49 3lwv s ILE 161 Ca -0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 3lwv s ILE 161 Cb -0.00 -0.97 0.03 0.00 0.01 0.00 0.00 42.46 41.52 3lwv s ILE 161 CO 0.01 0.33 -0.04 -0.70 0.00 0.00 0.00 174.94 174.54 3lwv s GLU 162 N 0.51 1.10 -0.32 2.79 2.12 0.24 -4.95 118.70 120.19 3lwv s GLU 162 Ca -0.11 -0.09 -0.24 0.00 0.36 0.00 0.00 54.97 54.90 3lwv s GLU 162 Cb -0.14 -1.30 0.00 0.00 0.26 0.00 0.00 34.13 32.96 3lwv s GLU 162 CO 0.03 -0.28 0.80 0.08 -0.54 0.00 0.00 175.26 175.34 3lwv s VAL 163 N 1.81 4.77 -0.17 3.70 1.01 -1.26 -0.16 120.40 130.09 3lwv s VAL 163 Ca 0.05 1.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.96 3lwv s VAL 163 Cb -0.12 -4.17 -0.16 0.00 0.00 0.00 0.00 36.38 31.93 3lwv s VAL 163 CO -0.07 -0.31 0.23 -0.07 0.00 0.00 0.00 175.10 174.89 3lwv h LEU 164 N 9.55 0.00 -7.49 3.92 3.38 -0.86 -3.49 115.31 120.33 3lwv h LEU 164 Ca -0.24 -0.47 -0.15 0.00 0.09 0.00 0.00 57.88 57.11 3lwv h LEU 164 Cb 1.09 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.60 3lwv h LEU 164 CO 0.90 1.17 -0.40 -1.61 0.09 0.00 0.00 178.44 178.59 3lwv s GLU 165 N -2.25 0.37 -0.11 1.13 2.02 -0.96 -5.00 118.70 113.90 3lwv s GLU 165 Ca -0.22 0.23 0.03 0.00 0.02 0.00 0.00 54.97 55.03 3lwv s GLU 165 Cb 0.03 0.17 0.01 0.00 0.10 0.00 0.00 34.13 34.44 3lwv s GLU 165 CO 0.49 -0.06 -0.21 0.42 0.02 0.00 0.00 175.26 175.92 3lwv s ILE 166 N -0.17 1.89 -0.55 -1.63 1.01 -1.26 0.13 121.20 120.62 3lwv s ILE 166 Ca -0.03 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.78 3lwv s ILE 166 Cb -0.03 -1.66 0.20 0.00 0.01 0.00 0.00 42.46 40.98 3lwv s ILE 166 CO 0.01 0.52 0.51 -0.62 0.00 0.00 0.00 174.94 175.36 3lwv n GLU 167 N 3.82 1.28 0.00 2.79 1.02 0.69 -5.00 120.64 125.25 3lwv n GLU 167 Ca -0.20 -3.90 0.00 0.00 -0.02 0.00 0.00 57.16 53.04 3lwv n GLU 167 Cb 0.52 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3lwv n GLU 167 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3lwv n GLY 168 N 1.88 1.68 0.12 0.62 0.00 -1.26 -2.83 105.19 105.40 3lwv n GLY 168 Ca 0.25 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.33 3lwv n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lwv n ARG 169 N 0.00 0.37 -3.41 1.61 1.74 -1.26 -4.83 116.66 110.88 3lwv n ARG 169 Ca 0.00 -0.25 -0.38 0.00 -0.77 0.00 0.00 57.85 56.45 3lwv n ARG 169 Cb 0.00 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 29.87 3lwv n ARG 169 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3lwv s ASP 170 N -2.80 6.42 -0.16 0.55 -0.00 -1.13 -0.56 116.67 119.00 3lwv s ASP 170 Ca 0.15 0.50 0.01 0.00 -0.00 0.00 0.00 52.55 53.21 3lwv s ASP 170 Cb 0.18 -2.22 0.02 0.00 -0.00 0.00 0.00 42.92 40.90 3lwv s ASP 170 CO 0.66 -0.05 -0.16 -0.69 -0.00 0.00 0.00 175.17 174.92 3lwv s VAL 171 N 1.22 1.76 -0.20 -1.27 1.01 0.36 -0.22 120.40 123.07 3lwv s VAL 171 Ca 0.18 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 3lwv s VAL 171 Cb -0.15 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 3lwv s VAL 171 CO 0.08 0.49 0.04 -0.22 0.00 0.00 0.00 175.10 175.48 3lwv s LEU 172 N 1.39 3.52 0.06 3.92 2.96 0.12 -0.51 118.68 130.15 3lwv s LEU 172 Ca 0.05 -0.08 -0.15 0.00 -0.22 0.00 0.00 54.13 53.73 3lwv s LEU 172 Cb -0.13 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.69 3lwv s LEU 172 CO -0.11 0.10 0.34 0.72 -1.32 0.00 0.00 176.35 176.08 3lwv s PHE 173 N 0.77 -0.14 -0.00 5.38 -0.12 -0.84 -0.09 117.98 122.94 3lwv s PHE 173 Ca 0.02 -0.04 -0.01 0.00 -0.05 0.00 0.00 56.93 56.86 3lwv s PHE 173 Cb -0.14 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.35 3lwv s PHE 173 CO 0.02 -0.56 0.09 1.03 -0.05 0.00 0.00 175.22 175.75 3lwv s ARG 174 N -2.87 3.10 -0.03 1.99 0.52 0.77 -1.08 118.95 121.35 3lwv s ARG 174 Ca -0.03 -0.47 -0.02 0.00 -0.52 0.00 0.00 55.73 54.69 3lwv s ARG 174 Cb 0.00 -2.88 0.02 0.00 0.52 0.00 0.00 34.95 32.61 3lwv s ARG 174 CO -0.05 0.65 0.07 0.54 0.02 0.00 0.00 175.30 176.52 3lwv s VAL 175 N -1.21 -0.02 -0.17 3.52 0.11 -0.01 -0.59 120.40 122.03 3lwv s VAL 175 Ca 0.23 0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 59.31 3lwv s VAL 175 Cb -0.12 -0.11 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 3lwv s VAL 175 CO 0.14 0.03 -0.01 -0.83 -3.33 0.00 0.00 175.10 171.10 3lwv s GLY 176 N 0.42 1.76 0.11 6.54 0.00 -0.23 -0.65 107.32 115.25 3lwv s GLY 176 Ca -0.03 -0.84 -0.01 0.00 0.00 0.00 0.00 44.72 43.84 3lwv s GLY 176 CO -0.01 0.02 0.02 -1.34 0.00 0.00 0.00 173.10 171.79 3lwv s VAL 177 N 0.49 0.17 0.62 1.40 -7.23 -0.36 -0.25 120.40 115.24 3lwv s VAL 177 Ca -0.02 -1.88 -0.17 0.00 -1.81 0.00 0.00 61.98 58.10 3lwv s VAL 177 Cb -0.14 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 3lwv s VAL 177 CO 0.02 -0.64 1.13 -0.70 -0.31 0.00 0.00 175.10 174.60 3lwv s GLU 178 N -4.00 2.96 0.31 4.82 2.12 -0.18 -1.48 118.70 123.25 3lwv s GLU 178 Ca 0.18 1.53 -0.29 0.00 0.36 0.00 0.00 54.97 56.75 3lwv s GLU 178 Cb 0.08 -1.96 -0.11 0.00 0.26 0.00 0.00 34.13 32.40 3lwv s GLU 178 CO -0.02 -1.15 1.53 0.00 -0.54 0.00 0.00 175.26 175.08 3lwv s ALA 179 N -2.06 3.67 0.00 6.30 0.00 -1.26 -2.63 121.76 125.79 3lwv s ALA 179 Ca 0.70 1.53 0.00 0.00 0.00 0.00 0.00 51.96 54.19 3lwv s ALA 179 Cb -0.23 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.27 3lwv s ALA 179 CO 0.36 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.57 3lwv n GLY 180 N 1.64 2.53 3.66 0.00 0.00 -1.26 -5.01 105.19 106.73 3lwv n GLY 180 Ca 0.06 -0.41 -0.48 0.00 0.00 0.00 0.00 46.02 45.18 3lwv n GLY 180 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3lwv n THR 181 N 0.00 0.06 -3.19 2.61 -1.04 -1.08 -4.94 114.28 106.71 3lwv n THR 181 Ca 0.00 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.05 61.60 3lwv n THR 181 Cb 0.00 -1.42 -0.07 0.00 -1.82 0.00 0.00 70.33 67.02 3lwv n THR 181 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3lwv s TYR 182 N 1.19 3.27 0.20 -1.42 4.12 -1.26 -4.96 117.35 118.48 3lwv s TYR 182 Ca 0.82 0.69 -0.05 0.00 0.02 0.00 0.00 57.07 58.55 3lwv s TYR 182 Cb -0.75 -2.77 0.13 0.00 -1.52 0.00 0.00 41.96 37.05 3lwv s TYR 182 CO 0.42 -0.31 1.57 0.82 0.02 0.00 0.00 175.55 178.07 3lwv h ILE 183 N 5.41 1.28 -0.18 2.71 1.08 -1.99 -2.26 117.51 123.56 3lwv h ILE 183 Ca -0.28 -1.49 0.05 0.00 -0.39 0.00 0.00 64.86 62.75 3lwv h ILE 183 Cb 1.13 1.39 -0.07 0.00 -3.07 0.00 0.00 36.82 36.20 3lwv h ILE 183 CO 0.74 0.49 -0.33 0.03 -0.69 0.00 0.00 178.15 178.39 3lwv h ARG 184 N 0.63 -0.36 -0.22 2.37 3.08 -1.99 -0.60 114.38 117.28 3lwv h ARG 184 Ca 0.06 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.18 3lwv h ARG 184 Cb 0.87 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.97 3lwv h ARG 184 CO 0.08 -0.24 -0.00 1.03 -1.07 0.00 0.00 179.97 179.76 3lwv h SER 185 N -0.38 -0.09 -0.51 7.04 0.87 -1.96 -1.16 113.55 117.35 3lwv h SER 185 Ca 0.11 0.05 0.08 0.00 -1.23 0.00 0.00 61.79 60.79 3lwv h SER 185 Cb 0.55 0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 62.54 3lwv h SER 185 CO -0.39 -0.02 0.16 0.25 -0.53 0.00 0.00 176.83 176.30 3lwv h LEU 186 N 0.07 0.13 -0.97 2.23 5.85 -0.87 -0.90 115.31 120.85 3lwv h LEU 186 Ca 0.11 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 3lwv h LEU 186 Cb 0.13 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3lwv h LEU 186 CO -0.18 0.10 -0.14 0.40 -0.34 0.00 0.00 178.44 178.28 3lwv h ILE 187 N 0.32 1.25 -0.40 4.05 2.04 -0.75 -1.45 117.51 122.57 3lwv h ILE 187 Ca 0.25 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 3lwv h ILE 187 Cb 0.30 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3lwv h ILE 187 CO -0.28 0.37 0.24 -0.74 0.00 0.00 0.00 178.15 177.73 3lwv h HIS 188 N 0.54 0.52 -0.10 1.37 2.76 -0.49 -1.38 115.15 118.38 3lwv h HIS 188 Ca 0.09 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.18 3lwv h HIS 188 Cb 0.55 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 3lwv h HIS 188 CO 0.02 0.38 -0.33 0.45 -1.30 0.00 0.00 177.93 177.15 3lwv h HIS 189 N 0.52 0.23 -0.62 5.26 3.86 -0.75 -1.10 115.15 122.55 3lwv h HIS 189 Ca 0.14 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.23 3lwv h HIS 189 Cb 0.01 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 3lwv h HIS 189 CO -0.03 0.52 0.09 0.82 0.86 0.00 0.00 177.93 180.18 3lwv h ILE 190 N 0.18 1.26 -0.74 2.45 2.04 -1.12 -1.25 117.51 120.34 3lwv h ILE 190 Ca 0.02 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.87 3lwv h ILE 190 Cb 0.68 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3lwv h ILE 190 CO 0.05 0.38 0.47 1.23 0.00 0.00 0.00 178.15 180.28 3lwv h GLY 191 N 1.03 1.05 1.01 5.37 0.00 -0.14 -1.24 103.07 110.15 3lwv h GLY 191 Ca 0.19 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 3lwv h GLY 191 CO 0.01 0.40 0.06 1.41 0.00 0.00 0.00 176.54 178.42 3lwv h LEU 192 N 1.00 0.86 -1.26 3.11 3.38 -0.97 -0.67 115.31 120.76 3lwv h LEU 192 Ca 0.27 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3lwv h LEU 192 Cb -0.08 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3lwv h LEU 192 CO -0.05 0.92 0.04 0.00 0.09 0.00 0.00 178.44 179.43 3lwv h ALA 193 N 0.97 1.40 0.00 1.53 0.00 -0.83 -0.81 119.26 121.51 3lwv h ALA 193 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3lwv h ALA 193 Cb 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3lwv h ALA 193 CO 0.02 0.43 0.00 -0.07 0.00 0.00 0.00 179.25 179.62 3lwv h LEU 194 N 0.53 0.00 0.00 0.00 3.38 -1.10 -3.48 115.31 114.64 3lwv h LEU 194 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3lwv h LEU 194 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3lwv h LEU 194 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3lwv n GLY 195 N 0.99 2.41 0.10 0.83 0.00 -0.31 -4.80 105.19 104.41 3lwv n GLY 195 Ca 0.04 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.67 3lwv n GLY 195 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3lwv n VAL 196 N 0.00 0.61 0.00 1.61 0.24 -1.23 -4.86 118.33 114.70 3lwv n VAL 196 Ca 0.00 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 3lwv n VAL 196 Cb 0.00 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 31.66 3lwv n VAL 196 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3lwv n GLY 197 N 1.02 -1.00 3.56 7.63 0.00 -0.52 -4.22 105.19 111.66 3lwv n GLY 197 Ca 0.05 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 3lwv n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lwv s ALA 198 N -2.02 -1.90 0.12 4.61 0.00 -1.26 -1.88 121.76 119.42 3lwv s ALA 198 Ca 0.00 1.45 0.02 0.00 0.00 0.00 0.00 51.96 53.43 3lwv s ALA 198 Cb 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 3lwv s ALA 198 CO 0.00 -0.40 -0.06 -3.38 0.00 0.00 0.00 175.76 171.92 3lwv s HIS 199 N -1.58 1.02 -0.15 0.00 -3.43 -0.13 -4.47 115.29 106.55 3lwv s HIS 199 Ca -0.01 -0.90 -0.25 0.00 -0.80 0.00 0.00 55.06 53.11 3lwv s HIS 199 Cb -0.01 -0.57 -0.02 0.00 -1.43 0.00 0.00 32.58 30.56 3lwv s HIS 199 CO -0.00 -0.11 0.82 1.41 -2.00 0.00 0.00 174.74 174.86 3lwv s MET 200 N -3.83 4.32 -0.01 -0.38 1.75 -1.26 -0.10 119.30 119.79 3lwv s MET 200 Ca 0.15 1.02 0.14 0.00 -1.25 0.00 0.00 55.69 55.75 3lwv s MET 200 Cb 0.05 -3.56 -0.19 0.00 2.84 0.00 0.00 34.83 33.97 3lwv s MET 200 CO -0.02 -0.28 0.46 -1.13 -0.65 0.00 0.00 175.02 173.40 3lwv n SER 201 N 5.05 1.15 -3.64 1.11 3.41 -0.18 -4.95 113.62 115.58 3lwv n SER 201 Ca 0.04 -0.44 -0.10 0.00 -0.26 0.00 0.00 58.87 58.11 3lwv n SER 201 Cb 0.49 1.31 -0.07 0.00 -0.26 0.00 0.00 64.21 65.68 3lwv n SER 201 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3lwv s GLU 202 N -2.64 0.69 -0.02 4.33 2.12 -1.21 -4.99 118.70 116.98 3lwv s GLU 202 Ca 0.00 0.92 -0.04 0.00 0.36 0.00 0.00 54.97 56.21 3lwv s GLU 202 Cb 0.10 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.77 3lwv s GLU 202 CO 0.59 -0.10 0.10 -1.17 -0.54 0.00 0.00 175.26 174.14 3lwv s LEU 203 N 0.72 1.66 -0.16 2.70 2.96 -1.26 -0.82 118.68 124.48 3lwv s LEU 203 Ca -0.02 -0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 53.80 3lwv s LEU 203 Cb -0.05 0.44 0.07 0.00 0.50 0.00 0.00 46.19 47.15 3lwv s LEU 203 CO -0.07 -0.19 0.35 -0.60 -1.32 0.00 0.00 176.35 174.52 3lwv s ARG 204 N -0.63 0.28 -0.17 1.98 3.52 -0.88 -2.67 118.95 120.38 3lwv s ARG 204 Ca -0.07 0.81 -0.26 0.00 -0.13 0.00 0.00 55.73 56.08 3lwv s ARG 204 Cb -0.04 0.06 -0.01 0.00 -1.56 0.00 0.00 34.95 33.40 3lwv s ARG 204 CO 0.00 -0.22 0.85 0.50 -0.81 0.00 0.00 175.30 175.62 3lwv s ARG 205 N 2.00 4.30 0.00 5.12 3.52 -0.01 -1.05 118.95 132.83 3lwv s ARG 205 Ca -0.04 1.05 0.18 0.00 -0.13 0.00 0.00 55.73 56.78 3lwv s ARG 205 Cb -0.11 -3.58 -0.16 0.00 -1.56 0.00 0.00 34.95 29.55 3lwv s ARG 205 CO -0.11 -0.35 0.79 0.25 -0.81 0.00 0.00 175.30 175.07 3lwv n THR 206 N 4.77 0.00 -3.63 4.11 -2.24 0.67 -1.14 114.28 116.82 3lwv n THR 206 Ca 0.05 -0.12 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 3lwv n THR 206 Cb 0.49 1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 69.68 3lwv n THR 206 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3lwv s ARG 207 N -2.58 0.80 -0.34 -0.78 3.52 -1.09 -2.53 118.95 115.95 3lwv s ARG 207 Ca 0.08 0.96 0.01 0.00 -0.13 0.00 0.00 55.73 56.65 3lwv s ARG 207 Cb 0.14 0.39 0.14 0.00 -1.56 0.00 0.00 34.95 34.06 3lwv s ARG 207 CO 0.68 -0.10 0.27 0.45 -0.81 0.00 0.00 175.30 175.80 3lwv s SER 208 N 0.36 2.24 1.52 -2.12 0.15 0.35 -1.11 113.70 115.09 3lwv s SER 208 Ca 0.00 -1.69 0.00 0.00 0.70 0.00 0.00 55.95 54.96 3lwv s SER 208 Cb -0.05 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 3lwv s SER 208 CO 0.00 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.74 3lwv n GLY 209 N 4.41 2.71 0.10 9.45 0.00 -0.59 -2.19 105.19 119.07 3lwv n GLY 209 Ca 0.08 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 45.98 3lwv n GLY 209 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3lwv n PRO 210 N 13.04 1.14 -3.62 1.61 -0.02 -1.26 -4.80 135.00 141.09 3lwv n PRO 210 Ca 0.00 -0.20 -0.36 0.00 -2.02 0.00 0.00 63.50 60.92 3lwv n PRO 210 Cb 0.00 -1.47 -0.07 0.00 -0.02 0.00 0.00 33.50 31.93 3lwv n PRO 210 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3lwv s PHE 211 N -1.99 3.44 0.19 6.00 0.08 -0.93 -5.03 117.98 119.73 3lwv s PHE 211 Ca 0.44 0.48 -0.00 0.00 0.12 0.00 0.00 56.93 57.96 3lwv s PHE 211 Cb 0.21 -2.26 -0.04 0.00 -0.57 0.00 0.00 43.02 40.35 3lwv s PHE 211 CO 0.34 0.26 0.10 0.15 -0.10 0.00 0.00 175.22 175.97 3lwv s LYS 212 N 0.43 1.17 -0.75 0.44 1.02 -1.26 -0.50 119.74 120.29 3lwv s LYS 212 Ca 0.13 -1.61 -0.26 0.00 0.02 0.00 0.00 55.97 54.25 3lwv s LYS 212 Cb -0.12 0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 37.31 3lwv s LYS 212 CO 0.01 -0.33 1.76 -1.21 -0.92 0.00 0.00 175.35 174.66 3lwv s GLU 213 N -4.10 2.78 0.03 1.68 2.02 -1.05 -4.56 118.70 115.50 3lwv s GLU 213 Ca 0.35 0.07 0.01 0.00 0.02 0.00 0.00 54.97 55.41 3lwv s GLU 213 Cb 0.07 -4.63 -0.00 0.00 0.10 0.00 0.00 34.13 29.66 3lwv s GLU 213 CO 0.10 -2.78 0.03 -0.40 0.02 0.00 0.00 175.26 172.22 3lwv n ASP 214 N 12.24 -0.07 0.17 -0.19 5.68 -1.26 -5.00 116.55 128.12 3lwv n ASP 214 Ca 0.24 -1.21 0.13 0.00 -0.50 0.00 0.00 54.79 53.46 3lwv n ASP 214 Cb 0.50 0.17 0.60 0.00 -1.14 0.00 0.00 41.12 41.25 3lwv n ASP 214 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3lwv h GLU 215 N 0.00 0.00 0.00 0.11 4.39 -2.03 -1.43 114.58 115.62 3lwv h GLU 215 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3lwv h GLU 215 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3lwv h GLU 215 CO 0.03 0.00 -0.03 1.79 -1.16 0.00 0.00 179.01 179.65 3lwv h THR 216 N 0.00 0.00 -2.87 1.13 1.35 -1.91 -3.44 112.91 107.17 3lwv h THR 216 Ca 0.00 -0.71 -0.57 0.00 -0.55 0.00 0.00 66.41 64.58 3lwv h THR 216 Cb 0.21 1.70 -0.03 0.00 -1.73 0.00 0.00 68.15 68.30 3lwv h THR 216 CO 0.00 0.00 1.17 -0.22 -0.25 0.00 0.00 175.52 176.22 3lwv s LEU 217 N -5.27 3.67 -0.08 3.87 2.96 -0.54 -4.51 118.68 118.78 3lwv s LEU 217 Ca 0.09 1.29 0.05 0.00 -0.22 0.00 0.00 54.13 55.34 3lwv s LEU 217 Cb 0.09 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.24 3lwv s LEU 217 CO 0.63 -1.47 -0.24 -0.51 -1.32 0.00 0.00 176.35 173.45 3lwv s ILE 218 N 5.88 2.15 0.94 6.68 2.07 -0.54 -4.86 121.20 133.52 3lwv s ILE 218 Ca 0.72 -1.02 -0.13 0.00 -1.41 0.00 0.00 60.65 58.81 3lwv s ILE 218 Cb -0.21 -1.80 0.15 0.00 0.13 0.00 0.00 42.46 40.73 3lwv s ILE 218 CO 0.32 0.56 1.14 0.42 -1.91 0.00 0.00 174.94 175.47 3lwv s THR 219 N 0.03 1.98 0.08 4.00 -4.23 -1.26 -1.31 115.64 114.93 3lwv s THR 219 Ca -0.09 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.25 3lwv s THR 219 Cb -0.15 -2.73 -0.09 0.00 1.34 0.00 0.00 72.50 70.86 3lwv s THR 219 CO 0.06 0.00 1.43 -0.07 -0.54 0.00 0.00 174.62 175.50 3lwv h LEU 220 N -1.60 0.58 0.04 4.79 3.38 -1.99 0.16 115.31 120.68 3lwv h LEU 220 Ca -0.50 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.07 3lwv h LEU 220 Cb 1.32 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 3lwv h LEU 220 CO 0.59 0.88 -0.24 0.45 0.09 0.00 0.00 178.44 180.21 3lwv h HIS 221 N 0.28 -0.65 -0.70 1.13 3.86 -1.98 0.47 115.15 117.57 3lwv h HIS 221 Ca 0.05 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.32 3lwv h HIS 221 Cb 0.68 0.28 -0.05 0.00 1.06 0.00 0.00 27.41 29.38 3lwv h HIS 221 CO 0.07 -0.34 0.43 -0.44 0.86 0.00 0.00 177.93 178.51 3lwv h ASP 222 N -0.40 0.69 -0.11 2.45 3.32 -1.92 0.22 116.42 120.66 3lwv h ASP 222 Ca 0.05 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3lwv h ASP 222 Cb 0.46 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3lwv h ASP 222 CO -0.19 0.47 0.07 0.25 -1.72 0.00 0.00 179.24 178.12 3lwv h LEU 223 N 0.83 0.11 -0.38 1.55 5.85 -0.17 -0.84 115.31 122.26 3lwv h LEU 223 Ca 0.29 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.87 3lwv h LEU 223 Cb 0.06 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3lwv h LEU 223 CO -0.13 0.08 -0.68 -0.37 -0.34 0.00 0.00 178.44 177.00 3lwv h VAL 224 N 0.14 1.32 -0.46 1.05 -1.51 0.25 -2.56 116.25 114.48 3lwv h VAL 224 Ca 0.04 -2.48 -0.13 0.00 -1.23 0.00 0.00 66.70 62.90 3lwv h VAL 224 Cb -0.01 2.40 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 3lwv h VAL 224 CO -0.02 0.67 -0.21 0.44 -1.23 0.00 0.00 177.57 177.21 3lwv h ASP 225 N 0.00 0.99 -0.54 4.19 3.32 -0.88 -2.59 116.42 120.92 3lwv h ASP 225 Ca -0.01 -0.40 -0.06 0.00 0.02 0.00 0.00 57.03 56.58 3lwv h ASP 225 Cb 1.35 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 3lwv h ASP 225 CO 0.09 1.17 0.12 1.88 -1.72 0.00 0.00 179.24 180.78 3lwv h TYR 226 N 0.81 0.95 -0.15 4.55 0.05 -1.06 -0.66 116.97 121.46 3lwv h TYR 226 Ca 0.10 -0.10 0.03 0.00 0.05 0.00 0.00 58.73 58.82 3lwv h TYR 226 Cb 0.79 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 3lwv h TYR 226 CO 0.05 0.80 -0.06 -0.92 -1.05 0.00 0.00 178.16 176.99 3lwv h TYR 227 N 0.87 -0.14 -0.62 4.88 3.20 -1.32 -2.01 116.97 121.83 3lwv h TYR 227 Ca 0.19 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 3lwv h TYR 227 Cb 0.34 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 3lwv h TYR 227 CO 0.02 -0.10 0.14 1.88 -1.64 0.00 0.00 178.16 178.46 3lwv h TYR 228 N -0.04 1.03 -0.96 -3.82 -1.99 -1.13 0.26 116.97 110.32 3lwv h TYR 228 Ca 0.08 -0.12 0.16 0.00 2.00 0.00 0.00 58.73 60.86 3lwv h TYR 228 Cb 0.16 -0.29 -0.08 0.00 2.00 0.00 0.00 36.73 38.51 3lwv h TYR 228 CO -0.21 0.86 0.61 0.74 -0.00 0.00 0.00 178.16 180.15 3lwv h PHE 229 N 0.94 0.95 0.08 4.88 0.05 -0.75 0.35 116.94 123.43 3lwv h PHE 229 Ca 0.20 0.03 -0.19 0.00 3.82 0.00 0.00 57.97 61.82 3lwv h PHE 229 Cb 0.36 -0.29 -0.00 0.00 2.00 0.00 0.00 35.95 38.01 3lwv h PHE 229 CO 0.02 0.30 -0.96 2.35 -0.18 0.00 0.00 178.31 179.85 3lwv h TRP 230 N 0.76 0.31 0.00 -0.55 7.01 -0.83 -1.97 115.95 120.67 3lwv h TRP 230 Ca 0.50 -0.22 -0.10 0.00 2.11 0.00 0.00 58.89 61.18 3lwv h TRP 230 Cb 0.77 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.80 3lwv h TRP 230 CO -0.00 1.37 -0.49 -0.22 -2.79 0.00 0.00 178.44 176.31 3lwv h LYS 231 N -0.57 0.00 -0.00 2.65 1.63 -0.21 -2.82 116.57 117.26 3lwv h LYS 231 Ca -0.21 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.59 3lwv h LYS 231 Cb 1.51 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.14 3lwv h LYS 231 CO 0.03 0.49 -0.01 0.39 -3.45 0.00 0.00 179.45 176.89 3lwv n GLU 232 N -3.42 2.21 0.00 1.90 1.02 0.12 -4.72 120.64 117.75 3lwv n GLU 232 Ca 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 56.82 3lwv n GLU 232 Cb 0.63 -0.82 0.00 0.00 -0.02 0.00 0.00 31.44 31.23 3lwv n GLU 232 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3lwv n ASP 233 N -0.39 0.41 0.00 1.62 10.43 -1.03 -5.00 116.55 122.59 3lwv n ASP 233 Ca 0.00 -0.85 0.00 0.00 2.57 0.00 0.00 54.79 56.51 3lwv n ASP 233 Cb 0.01 0.10 0.00 0.00 1.84 0.00 0.00 41.12 43.08 3lwv n ASP 233 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3lwv n GLY 234 N 0.10 0.57 3.58 0.44 0.00 -1.06 -4.96 105.19 103.86 3lwv n GLY 234 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3lwv n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lwv s ILE 235 N -2.67 4.43 -0.11 -0.61 -1.09 -0.77 -4.91 121.20 115.47 3lwv s ILE 235 Ca 0.00 0.96 0.16 0.00 -2.23 0.00 0.00 60.65 59.54 3lwv s ILE 235 Cb 0.00 -4.46 -0.20 0.00 -1.58 0.00 0.00 42.46 36.22 3lwv s ILE 235 CO 0.00 -0.82 0.59 1.21 -1.23 0.00 0.00 174.94 174.70 3lwv n GLU 236 N 7.26 0.64 -0.08 2.79 2.13 -1.26 -2.25 120.64 129.87 3lwv n GLU 236 Ca 0.08 0.17 -0.11 0.00 0.66 0.00 0.00 57.16 57.95 3lwv n GLU 236 Cb 0.48 -1.72 -0.08 0.00 0.27 0.00 0.00 31.44 30.39 3lwv n GLU 236 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3lwv h GLU 237 N 0.00 -0.35 -0.27 5.31 5.08 -1.97 -2.39 114.58 119.98 3lwv h GLU 237 Ca -0.27 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 3lwv h GLU 237 Cb 1.81 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.12 3lwv h GLU 237 CO 0.05 -0.24 -0.16 1.88 -1.00 0.00 0.00 179.01 179.55 3lwv h TYR 238 N -0.37 0.51 0.07 4.33 -1.99 -1.90 -2.35 116.97 115.27 3lwv h TYR 238 Ca 0.05 -0.08 -0.25 0.00 2.00 0.00 0.00 58.73 60.45 3lwv h TYR 238 Cb 0.50 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.09 3lwv h TYR 238 CO -0.66 0.61 -1.14 0.35 -0.00 0.00 0.00 178.16 177.32 3lwv h PHE 239 N 0.43 0.30 -0.47 4.88 3.57 -1.73 -2.85 116.94 121.07 3lwv h PHE 239 Ca 0.08 -0.22 0.03 0.00 3.53 0.00 0.00 57.97 61.39 3lwv h PHE 239 Cb 0.53 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 3lwv h PHE 239 CO 0.02 1.16 0.25 -0.09 -2.23 0.00 0.00 178.31 177.42 3lwv h ARG 240 N 0.05 0.49 0.00 1.11 2.43 -0.92 -1.49 114.38 116.05 3lwv h ARG 240 Ca -0.08 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3lwv h ARG 240 Cb 1.88 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 31.32 3lwv h ARG 240 CO 0.17 0.32 -0.08 0.87 -1.51 0.00 0.00 179.97 179.75 3lwv h LYS 241 N 0.50 0.00 0.00 0.20 1.57 -1.46 -2.40 116.57 114.98 3lwv h LYS 241 Ca 0.20 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3lwv h LYS 241 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3lwv h LYS 241 CO -0.12 0.08 -0.08 0.00 -0.57 0.00 0.00 179.45 178.75 3lwv h ALA 242 N 1.92 1.08 -3.36 3.86 0.00 -1.02 -3.43 119.26 118.30 3lwv h ALA 242 Ca -0.00 -0.07 -0.65 0.00 0.00 0.00 0.00 54.91 54.18 3lwv h ALA 242 Cb 0.17 -0.01 -0.25 0.00 0.00 0.00 0.00 17.79 17.71 3lwv h ALA 242 CO 0.01 0.10 -0.73 0.42 0.00 0.00 0.00 179.25 179.05 3lwv s ILE 243 N -3.87 3.35 0.12 0.00 -1.09 -0.90 -4.57 121.20 114.24 3lwv s ILE 243 Ca -0.01 -0.56 -0.00 0.00 -2.23 0.00 0.00 60.65 57.85 3lwv s ILE 243 Cb 0.11 -2.42 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 3lwv s ILE 243 CO 0.56 0.52 0.29 -1.10 -1.23 0.00 0.00 174.94 173.97 3lwv s GLN 244 N 0.25 3.48 0.45 2.79 -1.52 0.16 -4.88 119.66 120.39 3lwv s GLN 244 Ca -0.07 -0.42 -0.24 0.00 -1.95 0.00 0.00 55.36 52.68 3lwv s GLN 244 Cb -0.15 -2.96 -0.08 0.00 -0.22 0.00 0.00 33.01 29.61 3lwv s GLN 244 CO 0.04 0.53 1.24 -2.14 -0.25 0.00 0.00 175.29 174.71 3lwv s PRO 245 N -2.89 3.77 0.55 2.91 0.02 -1.26 -0.28 135.00 137.82 3lwv s PRO 245 Ca 0.36 1.99 0.27 0.00 0.02 0.00 0.00 61.00 63.65 3lwv s PRO 245 Cb -0.12 -2.54 1.46 0.00 0.02 0.00 0.00 34.50 33.32 3lwv s PRO 245 CO 0.28 -0.61 1.97 0.00 -0.33 0.00 0.00 177.00 178.31 3lwv h MET 246 N 2.24 0.00 -1.01 5.54 -0.00 -1.52 -0.43 114.93 119.76 3lwv h MET 246 Ca -0.50 0.00 0.30 0.00 -0.00 0.00 0.00 59.70 59.51 3lwv h MET 246 Cb 1.25 0.00 -0.14 0.00 -0.00 0.00 0.00 31.60 32.71 3lwv h MET 246 CO 0.61 0.00 0.58 0.93 -0.00 0.00 0.00 176.91 179.03 3lwv h GLU 247 N 0.00 0.38 -0.94 -0.10 3.07 -1.90 0.82 114.58 115.92 3lwv h GLU 247 Ca 0.25 -0.02 0.22 0.00 -0.50 0.00 0.00 59.36 59.31 3lwv h GLU 247 Cb 1.11 -0.09 -0.12 0.00 -0.84 0.00 0.00 28.75 28.81 3lwv h GLU 247 CO -0.00 0.25 0.48 -0.22 -1.40 0.00 0.00 179.01 178.12 3lwv h LYS 248 N 0.39 0.48 0.00 2.33 1.63 -1.43 -0.92 116.57 119.05 3lwv h LYS 248 Ca 0.71 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.48 3lwv h LYS 248 Cb 1.56 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.08 3lwv h LYS 248 CO -0.57 0.32 0.00 0.00 -3.45 0.00 0.00 179.45 175.75 3lwv n ALA 249 N -2.42 1.95 -0.43 5.00 0.00 0.28 -2.25 120.51 122.64 3lwv n ALA 249 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3lwv n ALA 249 Cb 0.67 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3lwv n ALA 249 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3lwv n VAL 250 N -0.98 0.19 0.17 0.00 0.31 -0.36 -4.65 118.33 113.01 3lwv n VAL 250 Ca 0.09 -0.38 0.19 0.00 -0.01 0.00 0.00 64.34 64.22 3lwv n VAL 250 Cb 0.04 1.19 0.80 0.00 -0.91 0.00 0.00 33.84 34.96 3lwv n VAL 250 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3lwv h GLU 251 N 0.00 0.00 -0.00 5.55 5.08 -1.39 -2.18 114.58 121.63 3lwv h GLU 251 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3lwv h GLU 251 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3lwv h GLU 251 CO 0.00 0.00 -0.69 -2.39 -1.00 0.00 0.00 179.01 174.93 3lwv n HIS 252 N -3.60 0.00 -2.92 4.33 1.44 -1.26 -4.94 115.22 108.27 3lwv n HIS 252 Ca 0.04 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.45 3lwv n HIS 252 Cb 0.47 -0.06 -0.03 0.00 0.12 0.00 0.00 29.99 30.49 3lwv n HIS 252 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3lwv s LEU 253 N -2.82 3.86 0.49 2.39 1.43 -0.82 -4.92 118.68 118.29 3lwv s LEU 253 Ca 0.13 1.08 -0.22 0.00 -1.03 0.00 0.00 54.13 54.09 3lwv s LEU 253 Cb 0.17 -3.95 -0.07 0.00 0.03 0.00 0.00 46.19 42.37 3lwv s LEU 253 CO 0.72 -0.37 1.18 -2.84 0.23 0.00 0.00 176.35 175.28 3lwv s PRO 254 N -3.80 3.59 0.13 1.29 0.02 -1.26 -4.83 135.00 130.13 3lwv s PRO 254 Ca 0.50 1.81 0.08 0.00 0.02 0.00 0.00 61.00 63.41 3lwv s PRO 254 Cb -0.10 -2.31 -0.04 0.00 0.02 0.00 0.00 34.50 32.07 3lwv s PRO 254 CO 0.31 -0.70 -0.19 0.15 -0.33 0.00 0.00 177.00 176.23 3lwv s LYS 255 N -2.84 1.17 -0.04 5.54 1.02 -1.26 -1.52 119.74 121.81 3lwv s LYS 255 Ca 0.67 -1.25 0.03 0.00 0.02 0.00 0.00 55.97 55.43 3lwv s LYS 255 Cb -0.29 -1.33 0.00 0.00 -0.52 0.00 0.00 37.83 35.68 3lwv s LYS 255 CO 0.35 0.29 -0.13 0.14 -0.92 0.00 0.00 175.35 175.09 3lwv s VAL 256 N -1.54 1.09 -0.14 3.17 -7.23 -0.82 -0.66 120.40 114.26 3lwv s VAL 256 Ca 0.10 -0.52 -0.06 0.00 -1.81 0.00 0.00 61.98 59.69 3lwv s VAL 256 Cb -0.08 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 3lwv s VAL 256 CO 0.05 0.33 0.06 0.26 -0.31 0.00 0.00 175.10 175.48 3lwv s TRP 257 N 0.17 3.29 0.13 2.82 0.51 0.71 -1.16 118.94 125.40 3lwv s TRP 257 Ca -0.04 0.18 0.07 0.00 -2.12 0.00 0.00 56.10 54.19 3lwv s TRP 257 Cb -0.10 -1.97 -0.04 0.00 -0.81 0.00 0.00 33.47 30.54 3lwv s TRP 257 CO 0.01 0.34 -0.07 0.96 -0.51 0.00 0.00 176.95 177.69 3lwv s ILE 258 N -0.23 3.48 0.62 2.03 -4.36 -0.36 -0.26 121.20 122.13 3lwv s ILE 258 Ca 0.08 -1.32 -0.18 0.00 -0.26 0.00 0.00 60.65 58.96 3lwv s ILE 258 Cb -0.12 -2.67 -0.02 0.00 1.25 0.00 0.00 42.46 40.90 3lwv s ILE 258 CO 0.01 0.04 1.22 -0.54 0.24 0.00 0.00 174.94 175.92 3lwv s LYS 259 N -2.44 2.79 0.59 0.37 1.02 -0.08 -3.93 119.74 118.06 3lwv s LYS 259 Ca 0.23 1.85 0.29 0.00 0.02 0.00 0.00 55.97 58.37 3lwv s LYS 259 Cb -0.10 -1.90 1.64 0.00 -0.52 0.00 0.00 37.83 36.94 3lwv s LYS 259 CO 0.15 -1.36 2.07 -0.44 -0.92 0.00 0.00 175.35 174.86 3lwv h ASP 260 N 0.66 0.00 0.64 2.83 3.32 -1.91 -1.85 116.42 120.12 3lwv h ASP 260 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3lwv h ASP 260 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3lwv h ASP 260 CO 0.54 0.00 -0.12 -1.54 -1.72 0.00 0.00 179.24 176.40 3lwv n SER 261 N -3.78 0.24 -0.00 6.45 3.41 -1.26 -2.91 113.62 115.76 3lwv n SER 261 Ca 0.02 -0.07 0.09 0.00 -0.26 0.00 0.00 58.87 58.65 3lwv n SER 261 Cb 0.37 -0.20 -0.12 0.00 -0.26 0.00 0.00 64.21 64.00 3lwv n SER 261 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3lwv n ALA 262 N -1.30 3.38 0.01 7.33 0.00 -0.70 -4.63 120.51 124.61 3lwv n ALA 262 Ca 0.10 -0.45 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 3lwv n ALA 262 Cb 0.30 -0.62 -0.08 0.00 0.00 0.00 0.00 19.45 19.06 3lwv n ALA 262 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3lwv h VAL 263 N 0.00 1.14 -0.70 0.00 2.07 -1.49 -2.32 116.25 114.94 3lwv h VAL 263 Ca 0.00 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 3lwv h VAL 263 Cb 0.63 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3lwv h VAL 263 CO 0.00 0.11 0.31 0.00 0.02 0.00 0.00 177.57 178.01 3lwv h ALA 264 N 0.84 0.91 -0.79 1.67 0.00 -1.79 -2.19 119.26 117.92 3lwv h ALA 264 Ca 0.01 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.86 3lwv h ALA 264 Cb 0.17 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 17.61 3lwv h ALA 264 CO -0.00 0.50 0.41 0.00 0.00 0.00 0.00 179.25 180.17 3lwv h ALA 265 N 1.15 1.13 -0.05 0.00 0.00 -1.79 -2.32 119.26 117.38 3lwv h ALA 265 Ca 0.24 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 3lwv h ALA 265 Cb 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3lwv h ALA 265 CO -0.02 -0.01 -0.76 0.28 0.00 0.00 0.00 179.25 178.74 3lwv h VAL 266 N 0.67 1.41 0.00 0.00 2.07 -0.95 -1.28 116.25 118.17 3lwv h VAL 266 Ca 0.40 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.66 3lwv h VAL 266 Cb 0.45 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3lwv h VAL 266 CO -0.29 0.67 0.00 0.71 0.02 0.00 0.00 177.57 178.68 3lwv h THR 267 N 0.20 0.00 -0.53 2.57 1.35 -1.13 -2.47 112.91 112.91 3lwv h THR 267 Ca -0.03 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3lwv h THR 267 Cb 1.33 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 3lwv h THR 267 CO 0.12 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.80 3lwv n HIS 268 N -2.35 1.07 -0.53 4.73 8.25 -0.55 -4.81 115.22 121.03 3lwv n HIS 268 Ca 0.02 -0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.03 3lwv n HIS 268 Cb 0.24 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3lwv n HIS 268 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3lwv n GLY 269 N 1.09 0.88 3.77 -1.41 0.00 -0.93 -5.05 105.19 103.54 3lwv n GLY 269 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3lwv n GLY 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lwv s ALA 270 N -3.11 3.57 0.72 4.61 0.00 -0.79 -4.93 121.76 121.83 3lwv s ALA 270 Ca 0.00 1.45 -0.12 0.00 0.00 0.00 0.00 51.96 53.29 3lwv s ALA 270 Cb 0.00 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.58 3lwv s ALA 270 CO 0.00 -0.88 1.08 -0.51 0.00 0.00 0.00 175.76 175.45 3lwv s ASP 271 N -0.14 4.89 -0.41 0.00 1.01 -1.26 -4.42 116.67 116.35 3lwv s ASP 271 Ca 0.53 1.81 -0.21 0.00 0.71 0.00 0.00 52.55 55.38 3lwv s ASP 271 Cb -0.44 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 40.99 3lwv s ASP 271 CO 0.56 -1.77 0.69 -0.22 0.21 0.00 0.00 175.17 174.64 3lwv s LEU 272 N -5.56 4.32 0.58 1.23 2.96 -0.66 -4.92 118.68 116.64 3lwv s LEU 272 Ca 0.62 -0.05 -0.07 0.00 -0.22 0.00 0.00 54.13 54.41 3lwv s LEU 272 Cb -0.17 -2.83 -0.00 0.00 0.50 0.00 0.00 46.19 43.69 3lwv s LEU 272 CO 0.52 -0.74 0.91 0.00 -1.32 0.00 0.00 176.35 175.72 3lwv s ALA 273 N 2.92 3.26 0.45 5.97 0.00 -1.26 -0.44 121.76 132.65 3lwv s ALA 273 Ca 0.26 -0.58 0.11 0.00 0.00 0.00 0.00 51.96 51.74 3lwv s ALA 273 Cb -0.14 -2.68 1.01 0.00 0.00 0.00 0.00 23.12 21.32 3lwv s ALA 273 CO 0.18 -0.75 2.07 0.28 0.00 0.00 0.00 175.76 177.54 3lwv h VAL 274 N -0.16 1.03 0.00 0.00 2.07 -0.85 -2.73 116.25 115.61 3lwv h VAL 274 Ca -0.46 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3lwv h VAL 274 Cb 1.24 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3lwv h VAL 274 CO 0.61 0.07 0.00 -2.65 0.02 0.00 0.00 177.57 175.62 3lwv n PRO 275 N -4.49 0.06 -0.00 1.57 -0.02 -1.26 -2.77 135.00 128.09 3lwv n PRO 275 Ca 0.03 0.21 0.13 0.00 -2.02 0.00 0.00 63.50 61.85 3lwv n PRO 275 Cb 0.13 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.33 3lwv n PRO 275 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3lwv n GLY 276 N 0.04 0.74 3.72 -1.23 0.00 -1.03 -4.94 105.19 102.48 3lwv n GLY 276 Ca 0.05 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 3lwv n GLY 276 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lwv s ILE 277 N -1.99 5.04 -0.49 -0.61 1.01 -1.11 -0.91 121.20 122.14 3lwv s ILE 277 Ca 0.31 1.42 0.19 0.00 0.00 0.00 0.00 60.65 62.57 3lwv s ILE 277 Cb 0.20 -4.03 -0.25 0.00 0.01 0.00 0.00 42.46 38.39 3lwv s ILE 277 CO 0.31 0.26 0.63 0.00 0.00 0.00 0.00 174.94 176.14 3lwv n ALA 278 N 3.72 3.66 0.00 9.38 0.00 0.64 -4.21 120.51 133.70 3lwv n ALA 278 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3lwv n ALA 278 Cb 0.51 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.29 3lwv n ALA 278 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3lwv n LYS 279 N -1.78 0.00 -3.76 0.00 4.81 -1.20 -2.42 118.16 113.81 3lwv n LYS 279 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.35 3lwv n LYS 279 Cb 0.39 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.39 3lwv n LYS 279 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 3lwv s LEU 280 N 0.00 0.45 0.57 3.14 2.34 0.44 -0.21 118.68 125.41 3lwv s LEU 280 Ca 0.00 -0.53 -0.16 0.00 0.06 0.00 0.00 54.13 53.50 3lwv s LEU 280 Cb 0.00 1.78 -0.05 0.00 -0.56 0.00 0.00 46.19 47.36 3lwv s LEU 280 CO 0.00 -0.94 1.04 -1.00 -1.06 0.00 0.00 176.35 174.39 3lwv s HIS 281 N -3.87 3.08 0.52 3.48 3.76 0.16 0.10 115.29 122.52 3lwv s HIS 281 Ca 0.09 1.51 -0.07 0.00 -0.15 0.00 0.00 55.06 56.44 3lwv s HIS 281 Cb 0.01 -2.97 -0.04 0.00 1.11 0.00 0.00 32.58 30.70 3lwv s HIS 281 CO -0.05 -0.94 0.85 0.00 -0.85 0.00 0.00 174.74 173.74 3lwv s ALA 282 N -2.45 3.32 0.00 -1.40 0.00 0.13 -4.43 121.76 116.93 3lwv s ALA 282 Ca 0.63 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.18 3lwv s ALA 282 Cb -0.15 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.26 3lwv s ALA 282 CO 0.34 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.06 3lwv n GLY 283 N -2.40 0.07 3.70 0.00 0.00 -1.26 -4.65 105.19 100.64 3lwv n GLY 283 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3lwv n GLY 283 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lwv s ILE 284 N -2.02 3.34 0.07 -0.61 1.01 -1.26 -4.89 121.20 116.84 3lwv s ILE 284 Ca 0.00 0.82 0.06 0.00 0.00 0.00 0.00 60.65 61.53 3lwv s ILE 284 Cb 0.00 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 3lwv s ILE 284 CO 0.00 0.01 -0.11 -0.54 0.00 0.00 0.00 174.94 174.30 3lwv s LYS 285 N 2.17 2.21 0.39 2.79 1.02 -1.26 -0.80 119.74 126.26 3lwv s LYS 285 Ca 0.68 -0.94 -0.23 0.00 0.02 0.00 0.00 55.97 55.49 3lwv s LYS 285 Cb -0.36 -2.33 -0.14 0.00 -0.52 0.00 0.00 37.83 34.49 3lwv s LYS 285 CO 0.29 0.54 0.50 0.54 -0.92 0.00 0.00 175.35 176.30 3lwv n ARG 286 N 1.09 0.47 0.00 1.68 1.74 -1.25 -1.43 116.66 118.95 3lwv n ARG 286 Ca -0.14 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3lwv n ARG 286 Cb 0.52 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 3lwv n ARG 286 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3lwv n GLY 287 N 1.86 2.95 3.75 -0.13 0.00 0.10 -4.94 105.19 108.78 3lwv n GLY 287 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3lwv n GLY 287 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3lwv s ASP 288 N -1.40 5.26 -0.30 1.61 1.11 -0.51 -4.55 116.67 117.89 3lwv s ASP 288 Ca 0.00 2.65 -0.26 0.00 0.18 0.00 0.00 52.55 55.13 3lwv s ASP 288 Cb 0.00 -2.63 0.01 0.00 1.07 0.00 0.00 42.92 41.37 3lwv s ASP 288 CO 0.00 -1.56 0.90 -0.22 1.18 0.00 0.00 175.17 175.47 3lwv s LEU 289 N -3.65 4.04 0.05 1.23 2.96 -1.26 -0.82 118.68 121.23 3lwv s LEU 289 Ca 0.73 0.87 0.09 0.00 -0.22 0.00 0.00 54.13 55.59 3lwv s LEU 289 Cb -0.38 -3.27 -0.03 0.00 0.50 0.00 0.00 46.19 43.02 3lwv s LEU 289 CO 0.44 -0.70 -0.24 0.68 -1.32 0.00 0.00 176.35 175.21 3lwv s VAL 290 N 3.19 1.96 -0.15 1.68 -7.23 -0.32 -4.35 120.40 115.17 3lwv s VAL 290 Ca 0.38 -1.33 -0.17 0.00 -1.81 0.00 0.00 61.98 59.05 3lwv s VAL 290 Cb -0.14 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 3lwv s VAL 290 CO 0.13 0.29 0.45 0.00 -0.31 0.00 0.00 175.10 175.66 3lwv s ALA 291 N -0.81 3.52 -0.30 1.32 0.00 -0.58 -1.36 121.76 123.54 3lwv s ALA 291 Ca 0.10 -0.32 -0.18 0.00 0.00 0.00 0.00 51.96 51.57 3lwv s ALA 291 Cb -0.10 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 3lwv s ALA 291 CO 0.02 -0.14 0.50 0.42 0.00 0.00 0.00 175.76 176.56 3lwv s ILE 292 N 0.95 5.05 0.28 0.00 1.01 0.29 -1.94 121.20 126.84 3lwv s ILE 292 Ca 0.23 0.62 0.09 0.00 0.00 0.00 0.00 60.65 61.59 3lwv s ILE 292 Cb -0.15 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 3lwv s ILE 292 CO 0.09 -0.04 0.02 -0.04 0.00 0.00 0.00 174.94 174.97 3lwv s MET 293 N 2.33 2.30 0.60 2.79 -1.94 -0.31 -0.22 119.30 124.85 3lwv s MET 293 Ca 0.19 -1.44 -0.02 0.00 -1.71 0.00 0.00 55.69 52.72 3lwv s MET 293 Cb -0.16 -2.16 0.04 0.00 2.01 0.00 0.00 34.83 34.57 3lwv s MET 293 CO 0.11 0.33 0.85 0.95 -0.01 0.00 0.00 175.02 177.25 3lwv s THR 294 N -2.34 2.67 -1.21 2.05 -4.23 -0.39 -1.22 115.64 110.97 3lwv s THR 294 Ca 0.32 -0.50 0.12 0.00 -1.18 0.00 0.00 61.69 60.45 3lwv s THR 294 Cb -0.06 -3.05 0.15 0.00 1.34 0.00 0.00 72.50 70.89 3lwv s THR 294 CO 0.20 -0.04 1.34 0.18 -0.54 0.00 0.00 174.62 175.76 3lwv n LEU 295 N -2.52 0.00 -0.89 4.79 4.77 -1.25 -0.78 117.00 121.11 3lwv n LEU 295 Ca 0.07 0.40 0.12 0.00 -0.03 0.00 0.00 56.01 56.57 3lwv n LEU 295 Cb 0.60 -0.40 0.26 0.00 -2.33 0.00 0.00 43.42 41.55 3lwv n LEU 295 CO 0.48 -0.24 0.72 0.29 -1.33 0.00 0.00 177.39 177.31 3lwv n LYS 296 N -1.40 2.19 -2.01 3.23 5.02 -1.26 -4.95 118.16 118.98 3lwv n LYS 296 Ca 0.04 -1.77 -0.11 0.00 -2.02 0.00 0.00 58.31 54.45 3lwv n LYS 296 Cb 0.12 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.64 3lwv n LYS 296 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3lwv n ASP 297 N 1.04 -3.75 -4.83 4.39 8.00 0.04 -4.81 116.55 116.62 3lwv n ASP 297 Ca 0.17 0.05 -0.33 0.00 0.71 0.00 0.00 54.79 55.40 3lwv n ASP 297 Cb 0.51 -2.81 -0.07 0.00 -0.02 0.00 0.00 41.12 38.73 3lwv n ASP 297 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3lwv s GLU 298 N -4.19 4.12 -0.17 -1.24 2.02 -1.26 -4.87 118.70 113.11 3lwv s GLU 298 Ca 0.00 0.90 -0.21 0.00 0.02 0.00 0.00 54.97 55.68 3lwv s GLU 298 Cb 0.00 -2.31 -0.03 0.00 0.10 0.00 0.00 34.13 31.89 3lwv s GLU 298 CO 0.00 0.07 0.62 -1.17 0.02 0.00 0.00 175.26 174.80 3lwv s LEU 299 N -3.07 4.18 -0.24 1.80 2.96 -1.26 -1.26 118.68 121.80 3lwv s LEU 299 Ca 0.58 0.88 -0.17 0.00 -0.22 0.00 0.00 54.13 55.20 3lwv s LEU 299 Cb -0.10 -2.90 -0.13 0.00 0.50 0.00 0.00 46.19 43.56 3lwv s LEU 299 CO 0.15 -0.22 -0.15 0.52 -1.32 0.00 0.00 176.35 175.33 3lwv n VAL 300 N 4.45 1.52 -3.65 1.68 0.31 0.69 -4.08 118.33 119.26 3lwv n VAL 300 Ca -0.02 -0.18 -0.08 0.00 -0.01 0.00 0.00 64.34 64.05 3lwv n VAL 300 Cb 0.50 -2.01 -0.02 0.00 -0.91 0.00 0.00 33.84 31.40 3lwv n VAL 300 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3lwv s ALA 301 N -2.51 -1.53 0.05 3.52 0.00 -1.15 -1.80 121.76 118.35 3lwv s ALA 301 Ca -0.33 0.25 -0.00 0.00 0.00 0.00 0.00 51.96 51.87 3lwv s ALA 301 Cb 0.10 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 3lwv s ALA 301 CO 0.50 -0.90 0.20 -0.51 0.00 0.00 0.00 175.76 175.05 3lwv s LEU 302 N -2.80 4.34 0.26 0.00 1.02 -0.15 -0.55 118.68 120.79 3lwv s LEU 302 Ca 0.07 0.27 -0.18 0.00 0.02 0.00 0.00 54.13 54.31 3lwv s LEU 302 Cb -0.03 -2.90 0.02 0.00 0.02 0.00 0.00 46.19 43.30 3lwv s LEU 302 CO -0.03 0.18 0.63 -0.83 0.02 0.00 0.00 176.35 176.32 3lwv s GLY 303 N -2.44 0.07 -0.15 -3.19 0.00 -0.47 -2.04 107.32 99.10 3lwv s GLY 303 Ca 0.34 -0.44 -0.04 0.00 0.00 0.00 0.00 44.72 44.58 3lwv s GLY 303 CO 0.27 -0.26 -0.02 1.25 0.00 0.00 0.00 173.10 174.34 3lwv s LYS 304 N -3.94 3.64 0.32 2.90 2.20 -0.61 -1.18 119.74 123.07 3lwv s LYS 304 Ca 0.14 -0.48 -0.29 0.00 -0.36 0.00 0.00 55.97 54.98 3lwv s LYS 304 Cb -0.04 -2.94 -0.10 0.00 -1.51 0.00 0.00 37.83 33.24 3lwv s LYS 304 CO 0.06 0.30 1.28 0.00 -0.36 0.00 0.00 175.35 176.64 3lwv s ALA 305 N 0.21 3.49 -1.00 3.13 0.00 -0.00 -1.44 121.76 126.14 3lwv s ALA 305 Ca -0.01 1.22 0.12 0.00 0.00 0.00 0.00 51.96 53.29 3lwv s ALA 305 Cb -0.13 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 3lwv s ALA 305 CO 0.02 -0.59 0.67 -1.33 0.00 0.00 0.00 175.76 174.54 3lwv n MET 306 N 0.87 2.20 -4.05 0.00 0.00 -0.60 -0.72 117.12 114.82 3lwv n MET 306 Ca -0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 57.70 57.09 3lwv n MET 306 Cb 0.42 -1.13 -0.10 0.00 0.00 0.00 0.00 33.22 32.41 3lwv n MET 306 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 3lwv s MET 307 N -1.68 0.53 0.69 0.03 -1.94 -1.23 -4.88 119.30 110.82 3lwv s MET 307 Ca 0.09 -1.03 -0.11 0.00 -1.71 0.00 0.00 55.69 52.93 3lwv s MET 307 Cb 0.10 0.19 0.00 0.00 2.01 0.00 0.00 34.83 37.13 3lwv s MET 307 CO 0.35 -0.10 1.08 0.95 -0.01 0.00 0.00 175.02 177.29 3lwv s THR 308 N -3.18 3.74 0.29 2.05 -4.23 -1.26 -3.93 115.64 109.12 3lwv s THR 308 Ca 0.00 0.55 0.04 0.00 -1.18 0.00 0.00 61.69 61.11 3lwv s THR 308 Cb 0.03 -3.56 0.29 0.00 1.34 0.00 0.00 72.50 70.60 3lwv s THR 308 CO -0.07 -0.73 1.78 0.28 -0.54 0.00 0.00 174.62 175.34 3lwv h SER 309 N -0.58 0.76 -0.28 3.99 0.02 -1.28 -1.44 113.55 114.75 3lwv h SER 309 Ca -0.45 0.09 -0.19 0.00 -0.84 0.00 0.00 61.79 60.40 3lwv h SER 309 Cb 1.24 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.73 3lwv h SER 309 CO 0.63 0.30 -0.56 1.56 -1.14 0.00 0.00 176.83 177.62 3lwv h GLN 310 N 0.78 0.88 -0.10 3.45 1.08 -1.93 -2.79 115.11 116.48 3lwv h GLN 310 Ca 0.55 -0.57 0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3lwv h GLN 310 Cb 0.79 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 3lwv h GLN 310 CO -0.36 1.20 0.01 0.93 -0.95 0.00 0.00 178.83 179.66 3lwv h GLU 311 N 0.67 0.05 -0.64 1.46 5.08 -1.76 -1.48 114.58 117.97 3lwv h GLU 311 Ca 0.01 -0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.49 3lwv h GLU 311 Cb 1.17 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 3lwv h GLU 311 CO 0.12 0.04 0.43 0.52 -1.00 0.00 0.00 179.01 179.12 3lwv h MET 312 N 0.05 0.35 0.11 2.33 2.86 -1.29 -2.29 114.93 117.06 3lwv h MET 312 Ca 0.05 -0.02 -0.29 0.00 -2.06 0.00 0.00 59.70 57.37 3lwv h MET 312 Cb 0.04 -0.08 0.03 0.00 0.06 0.00 0.00 31.60 31.65 3lwv h MET 312 CO -0.07 0.23 -1.23 1.25 1.06 0.00 0.00 176.91 178.16 3lwv h LEU 313 N 0.37 0.84 0.00 1.22 5.85 -1.10 -3.33 115.31 119.15 3lwv h LEU 313 Ca 0.30 -0.77 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 3lwv h LEU 313 Cb 0.69 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3lwv h LEU 313 CO -0.08 1.58 -0.67 1.05 -0.34 0.00 0.00 178.44 179.98 3lwv h GLU 314 N 0.27 0.00 -7.48 1.25 4.11 -1.04 -3.48 114.58 108.22 3lwv h GLU 314 Ca -0.18 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 58.79 3lwv h GLU 314 Cb 1.90 0.00 0.09 0.00 0.50 0.00 0.00 28.75 31.24 3lwv h GLU 314 CO 0.23 0.10 0.33 0.15 0.07 0.00 0.00 179.01 179.89 3lwv s LYS 315 N -3.21 2.04 0.00 1.06 1.02 -0.88 -5.02 119.74 114.76 3lwv s LYS 315 Ca 0.02 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 55.94 3lwv s LYS 315 Cb 0.08 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.34 3lwv s LYS 315 CO 0.75 -1.45 0.15 0.25 -0.92 0.00 0.00 175.35 174.13 3lwv n THR 316 N -3.14 0.00 -3.96 2.17 -2.24 -1.26 -4.96 114.28 100.88 3lwv n THR 316 Ca 0.08 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.52 3lwv n THR 316 Cb 0.61 1.32 -0.06 0.00 -2.10 0.00 0.00 70.33 70.09 3lwv n THR 316 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3lwv s LYS 317 N -0.19 1.27 0.00 -0.78 1.02 -1.26 -4.48 119.74 115.33 3lwv s LYS 317 Ca 0.00 -1.19 0.00 0.00 0.02 0.00 0.00 55.97 54.80 3lwv s LYS 317 Cb 0.00 0.41 0.00 0.00 -0.52 0.00 0.00 37.83 37.72 3lwv s LYS 317 CO 0.00 -0.49 0.00 0.41 -0.92 0.00 0.00 175.35 174.35 3lwv n GLY 318 N -0.27 2.80 3.68 -3.33 0.00 -1.26 -4.69 105.19 102.12 3lwv n GLY 318 Ca -0.06 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 3lwv n GLY 318 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lwv s ILE 319 N -2.90 4.72 -0.16 -0.61 -1.09 -1.26 -0.19 121.20 119.72 3lwv s ILE 319 Ca 0.00 2.01 0.19 0.00 -2.23 0.00 0.00 60.65 60.62 3lwv s ILE 319 Cb 0.00 -4.29 -0.27 0.00 -1.58 0.00 0.00 42.46 36.32 3lwv s ILE 319 CO 0.00 -0.05 0.16 0.00 -1.23 0.00 0.00 174.94 173.83 3lwv n ALA 320 N 5.39 1.81 -3.71 9.38 0.00 0.41 -4.62 120.51 129.18 3lwv n ALA 320 Ca 0.10 -1.13 -0.13 0.00 0.00 0.00 0.00 53.44 52.28 3lwv n ALA 320 Cb 0.48 -0.30 -0.14 0.00 0.00 0.00 0.00 19.45 19.49 3lwv n ALA 320 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3lwv s VAL 321 N -2.72 -0.15 -0.35 0.00 1.01 -1.03 -1.56 120.40 115.60 3lwv s VAL 321 Ca -0.09 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.80 3lwv s VAL 321 Cb 0.08 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 36.11 3lwv s VAL 321 CO 0.83 0.09 1.13 -0.62 0.00 0.00 0.00 175.10 176.53 3lwv s ASP 322 N 1.63 6.82 -0.13 3.32 2.15 -0.52 -1.65 116.67 128.29 3lwv s ASP 322 Ca -0.06 0.97 -0.29 0.00 0.43 0.00 0.00 52.55 53.60 3lwv s ASP 322 Cb -0.11 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.95 3lwv s ASP 322 CO -0.08 -1.00 1.13 -0.69 -0.17 0.00 0.00 175.17 174.36 3lwv s VAL 323 N 3.96 4.49 0.00 1.11 1.01 -1.26 -1.57 120.40 128.13 3lwv s VAL 323 Ca 0.48 1.79 0.00 0.00 0.00 0.00 0.00 61.98 64.25 3lwv s VAL 323 Cb -0.12 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.11 3lwv s VAL 323 CO 0.20 -0.06 0.00 -0.62 0.00 0.00 0.00 175.10 174.62 3lwv n GLU 324 N 5.67 0.35 -3.97 2.72 1.02 -0.87 -4.94 120.64 120.62 3lwv n GLU 324 Ca 0.11 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.95 3lwv n GLU 324 Cb 0.47 -0.97 -0.16 0.00 -0.02 0.00 0.00 31.44 30.76 3lwv n GLU 324 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3lwv s LYS 325 N -1.94 1.92 -0.24 3.49 -0.14 -1.06 -5.01 119.74 116.76 3lwv s LYS 325 Ca 0.00 -0.73 -0.10 0.00 -1.36 0.00 0.00 55.97 53.78 3lwv s LYS 325 Cb 0.00 -2.27 -0.05 0.00 -1.68 0.00 0.00 37.83 33.83 3lwv s LYS 325 CO 0.00 -0.40 0.15 0.08 -0.76 0.00 0.00 175.35 174.41 3lwv s VAL 326 N 1.47 5.24 -0.18 3.17 1.01 -1.26 -0.98 120.40 128.86 3lwv s VAL 326 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.14 3lwv s VAL 326 Cb -0.16 -3.44 -0.13 0.00 0.00 0.00 0.00 36.38 32.66 3lwv s VAL 326 CO -0.08 0.35 -0.15 0.49 0.00 0.00 0.00 175.10 175.71 3lwv n PHE 327 N 4.26 0.00 -2.38 5.22 3.01 -0.74 -5.00 117.46 121.83 3lwv n PHE 327 Ca -0.15 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.90 3lwv n PHE 327 Cb 0.52 -0.72 -0.03 0.00 -0.01 0.00 0.00 39.48 39.24 3lwv n PHE 327 CO 0.00 0.00 0.00 1.41 1.01 0.00 0.00 176.76 179.18 3lwv s MET 328 N -2.37 4.49 0.64 -1.08 1.75 -1.10 -5.00 119.30 116.63 3lwv s MET 328 Ca -0.24 1.86 -0.17 0.00 -1.25 0.00 0.00 55.69 55.89 3lwv s MET 328 Cb 0.06 -3.25 -0.01 0.00 2.84 0.00 0.00 34.83 34.47 3lwv s MET 328 CO 0.44 -0.10 1.18 -2.14 -0.65 0.00 0.00 175.02 173.75 3lwv s PRO 329 N -0.11 2.74 0.55 4.11 0.02 -1.26 -4.86 135.00 136.20 3lwv s PRO 329 Ca 0.53 1.72 0.31 0.00 0.02 0.00 0.00 61.00 63.58 3lwv s PRO 329 Cb -0.32 -1.91 1.61 0.00 0.02 0.00 0.00 34.50 33.90 3lwv s PRO 329 CO 0.36 -1.36 2.12 0.00 -0.33 0.00 0.00 177.00 177.79 3lwv h ARG 330 N 0.44 0.00 -0.64 5.54 3.08 -1.94 -3.12 114.38 117.74 3lwv h ARG 330 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3lwv h ARG 330 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3lwv h ARG 330 CO 0.54 0.08 0.00 -0.40 -1.07 0.00 0.00 179.97 179.11 3lwv n ASP 331 N -3.52 3.51 0.06 7.04 5.75 -1.26 -4.26 116.55 123.87 3lwv n ASP 331 Ca -0.02 -1.99 -0.10 0.00 -0.01 0.00 0.00 54.79 52.67 3lwv n ASP 331 Cb 0.21 -0.42 0.02 0.00 -1.03 0.00 0.00 41.12 39.90 3lwv n ASP 331 CO 0.00 0.00 0.00 -0.50 -0.11 0.00 0.00 177.20 176.59 3lwv h TRP 332 N 3.89 0.53 -4.11 2.11 4.06 -1.94 -3.44 115.95 117.05 3lwv h TRP 332 Ca 0.00 -0.24 -0.60 0.00 2.06 0.00 0.00 58.89 60.11 3lwv h TRP 332 Cb 0.89 -0.08 -0.25 0.00 -1.00 0.00 0.00 29.16 28.72 3lwv h TRP 332 CO 0.42 1.00 -0.85 0.71 -3.56 0.00 0.00 178.44 176.17 3lwv s TYR 333 N -3.57 1.93 0.73 0.49 1.51 -1.26 -1.47 117.35 115.71 3lwv s TYR 333 Ca -0.05 -0.39 -0.12 0.00 -1.01 0.00 0.00 57.07 55.50 3lwv s TYR 333 Cb 0.10 -1.12 0.03 0.00 -0.11 0.00 0.00 41.96 40.86 3lwv s TYR 333 CO 0.84 0.15 1.09 -2.14 -1.11 0.00 0.00 175.55 174.37 3lwv s PRO 334 N -1.44 2.54 -1.30 -1.71 0.02 -1.26 -4.71 135.00 127.14 3lwv s PRO 334 Ca 0.08 1.17 -0.17 0.00 0.02 0.00 0.00 61.00 62.11 3lwv s PRO 334 Cb -0.09 -1.93 0.09 0.00 0.02 0.00 0.00 34.50 32.58 3lwv s PRO 334 CO 0.03 -1.43 1.75 1.63 -0.33 0.00 0.00 177.00 178.65 3lwv n LYS 335 N -3.18 3.20 0.00 5.54 5.02 -1.26 -4.49 118.16 122.99 3lwv n LYS 335 Ca 0.09 -3.31 0.06 0.00 -2.02 0.00 0.00 58.31 53.13 3lwv n LYS 335 Cb 0.53 -3.38 0.34 0.00 -0.02 0.00 0.00 35.03 32.51 3lwv n LYS 335 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3lwv n LEU 336 N 7.51 0.00 -0.76 -0.35 4.32 -1.26 -5.10 117.00 121.35 3lwv n LEU 336 Ca 0.47 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.59 3lwv n LEU 336 Cb 0.44 0.00 0.27 0.00 -1.62 0.00 0.00 43.42 42.52 3lwv n LEU 336 CO 0.76 0.00 0.73 -2.67 -1.22 0.00 0.00 177.39 174.99