#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b9x s ARG 4 N 0.00 3.72 0.08 1.97 1.81 0.01 -4.79 118.95 121.75 3b9x s ARG 4 Ca 0.00 -0.08 -0.31 0.00 -1.72 0.00 0.00 55.73 53.63 3b9x s ARG 4 Cb 0.00 -3.77 -0.07 0.00 -0.45 0.00 0.00 34.95 30.66 3b9x s ARG 4 CO 0.00 -0.57 1.35 0.15 -0.68 0.00 0.00 175.30 175.56 3b9x s LYS 5 N 2.35 4.33 0.07 3.54 1.02 -1.26 -0.69 119.74 129.10 3b9x s LYS 5 Ca 0.19 1.98 0.03 0.00 0.02 0.00 0.00 55.97 58.19 3b9x s LYS 5 Cb -0.16 -3.35 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 3b9x s LYS 5 CO 0.12 -0.43 -0.10 0.96 -0.92 0.00 0.00 175.35 174.98 3b9x s ILE 6 N 1.41 0.83 -0.21 2.17 -4.36 -0.18 -1.23 121.20 119.64 3b9x s ILE 6 Ca 0.63 -1.38 -0.04 0.00 -0.26 0.00 0.00 60.65 59.61 3b9x s ILE 6 Cb -0.34 -1.05 -0.01 0.00 1.25 0.00 0.00 42.46 42.31 3b9x s ILE 6 CO 0.29 -0.43 -0.05 -0.63 0.24 0.00 0.00 174.94 174.36 3b9x s ILE 7 N -1.85 3.39 -0.33 8.37 1.01 -0.89 -1.35 121.20 129.55 3b9x s ILE 7 Ca -0.01 -0.49 -0.15 0.00 0.00 0.00 0.00 60.65 59.99 3b9x s ILE 7 Cb -0.07 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 3b9x s ILE 7 CO 0.00 0.43 0.36 -0.22 0.00 0.00 0.00 174.94 175.52 3b9x s LEU 8 N 1.32 4.35 -0.24 2.97 2.96 -0.96 -1.21 118.68 127.87 3b9x s LEU 8 Ca 0.04 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.75 3b9x s LEU 8 Cb -0.14 -2.35 -0.02 0.00 0.50 0.00 0.00 46.19 44.18 3b9x s LEU 8 CO -0.02 -0.30 0.04 -0.62 -1.32 0.00 0.00 176.35 174.13 3b9x s ASP 9 N 1.72 4.94 0.20 3.68 2.15 -0.66 -1.41 116.67 127.29 3b9x s ASP 9 Ca 0.12 -0.25 -0.17 0.00 0.43 0.00 0.00 52.55 52.68 3b9x s ASP 9 Cb -0.16 -1.88 0.03 0.00 -0.30 0.00 0.00 42.92 40.60 3b9x s ASP 9 CO 0.11 -0.03 0.53 0.00 -0.17 0.00 0.00 175.17 175.61 3b9x n ASP 11 N -0.35 2.32 -4.75 0.00 5.75 -1.26 -1.75 116.55 116.52 3b9x n ASP 11 Ca -0.09 -3.29 -0.41 0.00 -0.01 0.00 0.00 54.79 50.99 3b9x n ASP 11 Cb 0.62 -0.60 -0.02 0.00 -1.03 0.00 0.00 41.12 40.10 3b9x n ASP 11 CO 0.00 0.00 0.00 -2.84 -0.11 0.00 0.00 177.20 174.25 3b9x s PRO 12 N -2.86 4.26 0.00 0.11 0.02 -1.26 -4.23 135.00 131.04 3b9x s PRO 12 Ca 0.44 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.77 3b9x s PRO 12 Cb 0.32 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.74 3b9x s PRO 12 CO -0.10 -0.42 0.00 0.41 -0.33 0.00 0.00 177.00 176.55 3b9x n GLY 13 N 2.12 1.25 0.22 0.52 0.00 -0.35 -4.36 105.19 104.59 3b9x n GLY 13 Ca 0.06 -1.17 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 3b9x n GLY 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3b9x h HIS 14 N 0.00 -0.46 0.00 1.61 3.86 -1.90 -1.85 115.15 116.41 3b9x h HIS 14 Ca 0.00 -0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.05 3b9x h HIS 14 Cb 0.00 0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 3b9x h HIS 14 CO 0.00 -0.21 -0.73 0.38 0.86 0.00 0.00 177.93 178.24 3b9x h ASP 15 N -0.63 0.00 -0.78 2.45 2.03 -1.96 -2.66 116.42 114.87 3b9x h ASP 15 Ca -0.05 0.00 0.14 0.00 -0.73 0.00 0.00 57.03 56.39 3b9x h ASP 15 Cb 0.46 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.86 3b9x h ASP 15 CO 0.08 0.73 0.35 0.44 -1.03 0.00 0.00 179.24 179.81 3b9x h ASP 16 N 0.00 0.38 -1.00 4.15 3.32 -1.91 -0.87 116.42 120.49 3b9x h ASP 16 Ca -0.01 0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.15 3b9x h ASP 16 Cb 1.39 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.94 3b9x h ASP 16 CO 0.09 0.16 0.66 0.00 -1.72 0.00 0.00 179.24 178.44 3b9x h ALA 17 N 1.53 1.27 -0.49 3.45 0.00 -0.97 0.71 119.26 124.77 3b9x h ALA 17 Ca 0.42 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3b9x h ALA 17 Cb 0.60 -0.41 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3b9x h ALA 17 CO -0.37 0.66 0.27 0.82 0.00 0.00 0.00 179.25 180.63 3b9x h ILE 18 N 1.36 1.17 -0.54 0.00 1.08 -1.27 -1.39 117.51 117.92 3b9x h ILE 18 Ca 0.37 -0.42 0.02 0.00 -0.39 0.00 0.00 64.86 64.43 3b9x h ILE 18 Cb -0.16 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.13 3b9x h ILE 18 CO -0.08 0.18 0.34 0.00 -0.69 0.00 0.00 178.15 177.90 3b9x h ALA 19 N 1.11 0.68 -0.79 1.87 0.00 -0.67 -1.15 119.26 120.32 3b9x h ALA 19 Ca 0.17 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3b9x h ALA 19 Cb 0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3b9x h ALA 19 CO -0.03 0.07 0.50 0.82 0.00 0.00 0.00 179.25 180.62 3b9x h ILE 20 N 0.68 1.11 -0.18 0.00 2.04 -0.54 -1.01 117.51 119.61 3b9x h ILE 20 Ca 0.21 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3b9x h ILE 20 Cb -0.03 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 3b9x h ILE 20 CO -0.07 0.18 0.09 -0.03 0.00 0.00 0.00 178.15 178.32 3b9x h MET 21 N 0.97 0.27 0.23 2.37 4.05 -0.79 -2.19 114.93 119.84 3b9x h MET 21 Ca 0.32 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.69 3b9x h MET 21 Cb 0.02 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.78 3b9x h MET 21 CO -0.12 0.29 -0.11 0.52 0.23 0.00 0.00 176.91 177.72 3b9x h MET 22 N 0.17 -0.30 -0.88 0.39 2.86 -1.05 -3.22 114.93 112.90 3b9x h MET 22 Ca 0.06 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.77 3b9x h MET 22 Cb 0.12 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 3b9x h MET 22 CO -0.01 -0.04 0.55 0.00 1.06 0.00 0.00 176.91 178.48 3b9x h ALA 23 N 0.16 1.18 0.00 6.32 0.00 -1.18 -2.17 119.26 123.58 3b9x h ALA 23 Ca -0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3b9x h ALA 23 Cb 0.40 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3b9x h ALA 23 CO 0.05 0.35 -0.21 0.00 0.00 0.00 0.00 179.25 179.44 3b9x h ALA 24 N 1.39 1.11 0.00 0.00 0.00 -1.48 -3.36 119.26 116.92 3b9x h ALA 24 Ca 0.37 -0.19 -0.36 0.00 0.00 0.00 0.00 54.91 54.72 3b9x h ALA 24 Cb 0.10 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 3b9x h ALA 24 CO -0.15 0.26 -2.38 1.17 0.00 0.00 0.00 179.25 178.16 3b9x n LYS 25 N -3.51 0.67 -2.28 0.00 3.00 -0.86 -4.95 118.16 110.23 3b9x n LYS 25 Ca -0.01 0.11 -0.42 0.00 -0.00 0.00 0.00 58.31 57.99 3b9x n LYS 25 Cb 0.37 -1.49 -0.03 0.00 0.00 0.00 0.00 35.03 33.88 3b9x n LYS 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 3b9x s HIS 26 N -2.48 3.30 0.36 5.64 2.46 -0.93 -4.91 115.29 118.73 3b9x s HIS 26 Ca -0.28 1.09 0.37 0.00 0.47 0.00 0.00 55.06 56.72 3b9x s HIS 26 Cb 0.08 -3.57 1.98 0.00 -0.13 0.00 0.00 32.58 30.94 3b9x s HIS 26 CO 0.61 -1.91 2.14 -1.00 -2.47 0.00 0.00 174.74 172.11 3b9x h PRO 27 N 6.87 0.00 -0.00 2.88 0.13 -1.93 -2.03 132.00 137.91 3b9x h PRO 27 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3b9x h PRO 27 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3b9x h PRO 27 CO 0.84 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.53 3b9x n ALA 28 N -2.00 2.59 -3.40 -0.56 0.00 -1.26 -4.73 120.51 111.15 3b9x n ALA 28 Ca -0.02 -0.17 -0.33 0.00 0.00 0.00 0.00 53.44 52.92 3b9x n ALA 28 Cb 0.09 -1.41 -0.15 0.00 0.00 0.00 0.00 19.45 17.98 3b9x n ALA 28 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3b9x s ILE 29 N -2.84 2.73 -0.57 0.00 -1.09 -0.77 -0.81 121.20 117.85 3b9x s ILE 29 Ca 0.19 -0.75 -0.16 0.00 -2.23 0.00 0.00 60.65 57.70 3b9x s ILE 29 Cb 0.19 -2.15 0.14 0.00 -1.58 0.00 0.00 42.46 39.06 3b9x s ILE 29 CO 0.53 0.51 0.52 -0.62 -1.23 0.00 0.00 174.94 174.66 3b9x s ASP 30 N 0.77 6.23 -0.63 3.58 2.15 0.13 -4.77 116.67 124.12 3b9x s ASP 30 Ca -0.06 -1.89 -0.23 0.00 0.43 0.00 0.00 52.55 50.80 3b9x s ASP 30 Cb -0.15 -2.20 0.06 0.00 -0.30 0.00 0.00 42.92 40.32 3b9x s ASP 30 CO 0.01 -0.82 0.97 -0.22 -0.17 0.00 0.00 175.17 174.94 3b9x s LEU 31 N 1.44 4.23 0.25 -1.34 2.96 -1.26 -1.01 118.68 123.95 3b9x s LEU 31 Ca 0.05 -0.79 0.01 0.00 -0.22 0.00 0.00 54.13 53.18 3b9x s LEU 31 Cb -0.28 -2.53 0.30 0.00 0.50 0.00 0.00 46.19 44.18 3b9x s LEU 31 CO 0.02 -1.41 1.64 -0.07 -1.32 0.00 0.00 176.35 175.21 3b9x h LEU 32 N 11.35 0.50 0.00 -0.68 3.38 -1.61 -3.48 115.31 124.77 3b9x h LEU 32 Ca -0.28 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3b9x h LEU 32 Cb 1.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3b9x h LEU 32 CO 1.16 0.84 0.00 0.61 0.09 0.00 0.00 178.44 181.14 3b9x n GLY 33 N -0.12 1.29 3.24 0.83 0.00 -1.26 -4.60 105.19 104.58 3b9x n GLY 33 Ca -0.01 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 3b9x n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3b9x s ILE 34 N -2.00 2.43 -0.09 -0.61 1.01 -0.78 -2.26 121.20 118.90 3b9x s ILE 34 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.79 3b9x s ILE 34 Cb 0.00 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 3b9x s ILE 34 CO 0.00 0.53 -0.08 0.42 0.00 0.00 0.00 174.94 175.82 3b9x s THR 35 N 0.66 3.62 -0.04 2.92 -4.23 -0.50 -0.80 115.64 117.26 3b9x s THR 35 Ca -0.09 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 3b9x s THR 35 Cb -0.16 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 3b9x s THR 35 CO 0.02 0.58 -0.02 -0.63 -0.54 0.00 0.00 174.62 174.03 3b9x s ILE 36 N -0.52 4.07 0.08 2.99 -1.09 0.01 -1.10 121.20 125.64 3b9x s ILE 36 Ca 0.08 -0.47 0.05 0.00 -2.23 0.00 0.00 60.65 58.09 3b9x s ILE 36 Cb -0.12 -2.74 -0.03 0.00 -1.58 0.00 0.00 42.46 37.99 3b9x s ILE 36 CO 0.02 0.51 -0.15 0.54 -1.23 0.00 0.00 174.94 174.63 3b9x s VAL 37 N -0.95 1.18 0.62 2.92 0.11 -0.72 -0.87 120.40 122.70 3b9x s VAL 37 Ca 0.16 -1.34 -0.16 0.00 -2.93 0.00 0.00 61.98 57.71 3b9x s VAL 37 Cb -0.11 -1.13 -0.02 0.00 -1.53 0.00 0.00 36.38 33.59 3b9x s VAL 37 CO 0.05 -0.21 1.10 0.00 -3.33 0.00 0.00 175.10 172.72 3b9x s ALA 38 N -1.27 2.57 0.00 1.54 0.00 -0.68 -4.32 121.76 119.60 3b9x s ALA 38 Ca -0.01 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.53 3b9x s ALA 38 Cb -0.10 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3b9x s ALA 38 CO 0.02 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.11 3b9x n GLY 39 N -0.46 -1.65 0.33 0.00 0.00 -1.26 -4.58 105.19 97.56 3b9x n GLY 39 Ca 0.10 0.73 0.16 0.00 0.00 0.00 0.00 46.02 47.01 3b9x n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3b9x n ASN 40 N 0.00 -0.07 -3.94 1.61 5.03 -1.26 -3.70 115.26 112.93 3b9x n ASN 40 Ca 0.00 1.61 -0.16 0.00 0.87 0.00 0.00 54.58 56.91 3b9x n ASN 40 Cb 0.00 -0.60 -0.09 0.00 -1.02 0.00 0.00 39.78 38.06 3b9x n ASN 40 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3b9x s GLN 41 N -5.90 1.45 0.75 3.52 -1.52 -1.26 -1.86 119.66 114.84 3b9x s GLN 41 Ca -0.12 -1.80 -0.15 0.00 -1.95 0.00 0.00 55.36 51.33 3b9x s GLN 41 Cb 0.28 0.17 0.01 0.00 -0.22 0.00 0.00 33.01 33.25 3b9x s GLN 41 CO 0.74 -0.47 0.86 0.25 -0.25 0.00 0.00 175.29 176.42 3b9x n THR 42 N -0.45 2.20 -0.22 -0.19 -2.24 -1.26 -4.64 114.28 107.49 3b9x n THR 42 Ca 0.03 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3b9x n THR 42 Cb 0.65 -0.99 0.23 0.00 -2.10 0.00 0.00 70.33 68.12 3b9x n THR 42 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3b9x h LEU 43 N -0.49 0.87 -1.07 3.22 5.85 -1.88 -0.94 115.31 120.87 3b9x h LEU 43 Ca -0.46 -0.03 0.18 0.00 0.84 0.00 0.00 57.88 58.41 3b9x h LEU 43 Cb 1.33 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 42.04 3b9x h LEU 43 CO 0.45 0.65 0.61 -2.24 -0.34 0.00 0.00 178.44 177.57 3b9x h ASP 44 N 1.02 0.76 0.13 1.25 2.03 -1.97 -1.32 116.42 118.32 3b9x h ASP 44 Ca 0.27 0.08 -0.23 0.00 -0.73 0.00 0.00 57.03 56.43 3b9x h ASP 44 Cb -0.09 -0.06 0.01 0.00 -0.83 0.00 0.00 39.33 38.36 3b9x h ASP 44 CO -0.06 0.29 -1.10 0.11 -1.03 0.00 0.00 179.24 177.46 3b9x h LYS 45 N 0.75 0.27 -0.13 4.15 1.57 -1.57 -3.20 116.57 118.42 3b9x h LYS 45 Ca 0.56 -0.46 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3b9x h LYS 45 Cb 0.88 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3b9x h LYS 45 CO -0.34 1.22 -0.05 1.79 -0.57 0.00 0.00 179.45 181.49 3b9x h THR 46 N -0.35 1.12 -0.08 -0.16 1.35 -1.14 -1.71 112.91 111.93 3b9x h THR 46 Ca -0.22 -0.50 -0.01 0.00 -0.55 0.00 0.00 66.41 65.13 3b9x h THR 46 Cb 1.69 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 69.20 3b9x h THR 46 CO 0.10 0.16 0.01 0.25 -0.25 0.00 0.00 175.52 175.79 3b9x h LEU 47 N 0.18 0.14 -0.19 3.87 5.85 -1.35 -0.60 115.31 123.21 3b9x h LEU 47 Ca 0.04 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 3b9x h LEU 47 Cb 0.22 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3b9x h LEU 47 CO 0.01 0.39 0.11 0.40 -0.34 0.00 0.00 178.44 179.00 3b9x h ILE 48 N -0.11 1.10 -0.33 4.05 2.04 -1.50 0.09 117.51 122.84 3b9x h ILE 48 Ca 0.03 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.68 3b9x h ILE 48 Cb 0.31 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 3b9x h ILE 48 CO 0.00 0.09 0.05 0.78 0.00 0.00 0.00 178.15 179.07 3b9x h ASN 49 N 0.21 -0.03 -0.26 1.72 2.35 -1.30 0.24 115.58 118.50 3b9x h ASN 49 Ca 0.07 0.06 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 3b9x h ASN 49 Cb 0.05 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 3b9x h ASN 49 CO -0.01 0.02 0.08 1.23 -1.65 0.00 0.00 177.43 177.10 3b9x h GLY 50 N 0.16 0.32 0.91 2.83 0.00 -0.92 -1.41 103.07 104.96 3b9x h GLY 50 Ca 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 3b9x h GLY 50 CO -0.22 0.02 0.10 1.41 0.00 0.00 0.00 176.54 177.84 3b9x h LEU 51 N 0.19 0.30 -0.68 3.11 3.38 -0.39 -2.71 115.31 118.52 3b9x h LEU 51 Ca 0.12 -0.15 0.15 0.00 0.09 0.00 0.00 57.88 58.09 3b9x h LEU 51 Cb 0.10 -0.08 -0.11 0.00 0.09 0.00 0.00 40.66 40.66 3b9x h LEU 51 CO -0.13 0.36 0.01 0.78 0.09 0.00 0.00 178.44 179.56 3b9x h ASN 52 N 0.21 -0.28 -0.04 -0.43 -0.26 -0.52 0.40 115.58 114.65 3b9x h ASN 52 Ca 0.07 0.17 0.02 0.00 -0.56 0.00 0.00 56.30 56.00 3b9x h ASN 52 Cb 0.15 0.29 -0.02 0.00 -1.06 0.00 0.00 38.32 37.69 3b9x h ASN 52 CO -0.01 -0.13 -0.06 0.58 -1.06 0.00 0.00 177.43 176.75 3b9x h VAL 53 N 0.12 0.83 -0.40 2.81 2.07 -1.05 -1.06 116.25 119.57 3b9x h VAL 53 Ca 0.36 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.83 3b9x h VAL 53 Cb 0.61 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3b9x h VAL 53 CO -0.58 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.04 3b9x h GLN 55 N 0.53 -0.14 -0.88 0.00 4.15 -0.84 0.20 115.11 118.13 3b9x h GLN 55 Ca 0.12 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.61 3b9x h GLN 55 Cb 0.43 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.09 3b9x h GLN 55 CO 0.02 -0.09 0.55 -0.22 -1.93 0.00 0.00 178.83 177.15 3b9x h LYS 56 N -0.15 0.97 -0.16 1.69 1.63 -1.02 -1.19 116.57 118.35 3b9x h LYS 56 Ca 0.04 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3b9x h LYS 56 Cb 0.20 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 3b9x h LYS 56 CO -0.10 0.64 0.00 1.28 -3.45 0.00 0.00 179.45 177.83 3b9x n LEU 57 N -4.60 1.99 -3.88 5.20 4.77 -0.70 -4.93 117.00 114.85 3b9x n LEU 57 Ca 0.13 -0.80 -0.26 0.00 -0.03 0.00 0.00 56.01 55.05 3b9x n LEU 57 Cb 0.17 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3b9x n LEU 57 CO 0.31 0.40 -0.19 -0.62 -1.33 0.00 0.00 177.39 175.96 3b9x n GLU 58 N 0.54 -3.01 -3.07 3.23 1.02 -0.11 -4.95 120.64 114.29 3b9x n GLU 58 Ca 0.17 0.43 -0.40 0.00 -0.02 0.00 0.00 57.16 57.34 3b9x n GLU 58 Cb 0.39 -4.47 -0.05 0.00 -0.02 0.00 0.00 31.44 27.29 3b9x n GLU 58 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3b9x s ILE 59 N -3.84 5.03 -0.99 -3.67 1.01 0.52 -5.02 121.20 114.24 3b9x s ILE 59 Ca 0.10 1.36 -0.04 0.00 0.00 0.00 0.00 60.65 62.07 3b9x s ILE 59 Cb -0.04 -4.01 0.25 0.00 0.01 0.00 0.00 42.46 38.67 3b9x s ILE 59 CO 0.88 0.20 0.94 0.59 0.00 0.00 0.00 174.94 177.54 3b9x n ASN 60 N 4.25 4.78 -3.78 3.58 3.02 -1.26 -4.69 115.26 121.15 3b9x n ASN 60 Ca -0.01 -3.11 -0.14 0.00 -0.03 0.00 0.00 54.58 51.28 3b9x n ASN 60 Cb 0.51 -1.18 -0.15 0.00 -0.61 0.00 0.00 39.78 38.35 3b9x n ASN 60 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3b9x s VAL 61 N -1.43 -0.05 0.30 2.41 1.01 -1.26 -5.12 120.40 116.27 3b9x s VAL 61 Ca 0.29 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 3b9x s VAL 61 Cb -0.07 -0.12 -0.11 0.00 0.00 0.00 0.00 36.38 36.07 3b9x s VAL 61 CO -0.10 0.07 1.55 -2.84 0.00 0.00 0.00 175.10 173.78 3b9x s PRO 62 N 0.96 4.14 -0.14 2.72 0.02 -1.26 -4.85 135.00 136.59 3b9x s PRO 62 Ca -0.08 2.54 -0.01 0.00 0.02 0.00 0.00 61.00 63.47 3b9x s PRO 62 Cb -0.11 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.37 3b9x s PRO 62 CO -0.03 -0.58 -0.11 0.08 -0.33 0.00 0.00 177.00 176.02 3b9x s VAL 63 N -0.23 3.16 -0.09 3.83 1.01 -1.26 -1.87 120.40 124.95 3b9x s VAL 63 Ca 0.61 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.01 3b9x s VAL 63 Cb -0.47 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.57 3b9x s VAL 63 CO 0.50 0.51 -0.22 -0.31 0.00 0.00 0.00 175.10 175.59 3b9x s TYR 64 N 0.46 2.36 0.13 5.22 2.02 0.02 -0.49 117.35 127.07 3b9x s TYR 64 Ca -0.08 -0.95 -0.30 0.00 -0.37 0.00 0.00 57.07 55.36 3b9x s TYR 64 Cb -0.16 -1.59 -0.06 0.00 -0.40 0.00 0.00 41.96 39.75 3b9x s TYR 64 CO 0.04 -0.39 1.00 0.00 -1.57 0.00 0.00 175.55 174.63 3b9x s ALA 65 N 0.39 3.28 0.00 3.71 0.00 -1.26 -0.81 121.76 127.07 3b9x s ALA 65 Ca -0.18 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.42 3b9x s ALA 65 Cb -0.18 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3b9x s ALA 65 CO 0.08 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.18 3b9x n GLY 66 N 2.20 2.86 3.67 0.00 0.00 -0.05 -1.46 105.19 112.41 3b9x n GLY 66 Ca 0.02 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 3b9x n GLY 66 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3b9x s MET 67 N 4.33 4.22 0.00 1.61 -1.94 -1.26 -4.90 119.30 121.36 3b9x s MET 67 Ca 0.00 2.04 0.23 0.00 -1.71 0.00 0.00 55.69 56.25 3b9x s MET 67 Cb 0.00 -3.78 1.08 0.00 2.01 0.00 0.00 34.83 34.14 3b9x s MET 67 CO 0.00 -0.73 1.74 -0.35 -0.01 0.00 0.00 175.02 175.67 3b9x n PRO 68 N 6.34 1.41 -3.64 2.03 -0.04 -1.26 -1.68 135.00 138.15 3b9x n PRO 68 Ca 0.15 -0.60 -0.12 0.00 -0.04 0.00 0.00 63.50 62.89 3b9x n PRO 68 Cb 0.43 -1.40 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 3b9x n PRO 68 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3b9x s GLN 69 N -1.92 1.00 0.91 0.54 -1.52 -1.26 -4.65 119.66 112.76 3b9x s GLN 69 Ca 0.35 -0.52 -0.12 0.00 -1.95 0.00 0.00 55.36 53.12 3b9x s GLN 69 Cb 0.18 0.44 0.14 0.00 -0.22 0.00 0.00 33.01 33.55 3b9x s GLN 69 CO 0.28 -0.37 1.09 -1.25 -0.25 0.00 0.00 175.29 174.79 3b9x s PRO 70 N -3.13 1.11 0.47 2.91 0.04 -1.26 -4.95 135.00 130.19 3b9x s PRO 70 Ca -0.01 0.70 0.25 0.00 0.04 0.00 0.00 61.00 61.98 3b9x s PRO 70 Cb 0.01 -1.80 1.12 0.00 0.04 0.00 0.00 34.50 33.87 3b9x s PRO 70 CO -0.07 -2.31 1.92 -0.84 0.04 0.00 0.00 177.00 175.74 3b9x h ILE 71 N -1.60 0.57 0.00 0.56 3.07 -1.92 -3.42 117.51 114.78 3b9x h ILE 71 Ca -0.51 -0.91 0.00 0.00 1.55 0.00 0.00 64.86 64.99 3b9x h ILE 71 Cb 1.30 1.61 0.00 0.00 -0.27 0.00 0.00 36.82 39.45 3b9x h ILE 71 CO 0.56 0.19 0.00 0.80 -1.05 0.00 0.00 178.15 178.65 3b9x n MET 72 N -3.49 0.00 -1.24 0.16 0.00 -1.26 -5.10 117.12 106.20 3b9x n MET 72 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.41 3b9x n MET 72 Cb 0.36 -0.13 0.17 0.00 0.00 0.00 0.00 33.22 33.62 3b9x n MET 72 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 3b9x s ARG 73 N -1.72 0.41 0.12 2.12 1.70 -1.26 -5.00 118.95 115.31 3b9x s ARG 73 Ca 0.00 0.41 -0.30 0.00 -0.47 0.00 0.00 55.73 55.36 3b9x s ARG 73 Cb 0.00 -1.74 -0.07 0.00 -0.57 0.00 0.00 34.95 32.57 3b9x s ARG 73 CO 0.00 -2.72 1.23 -0.65 -1.08 0.00 0.00 175.30 172.08 3b9x s GLN 74 N -5.06 4.44 0.59 3.89 -1.52 -1.26 -4.68 119.66 116.05 3b9x s GLN 74 Ca 0.65 1.86 -0.20 0.00 -1.95 0.00 0.00 55.36 55.73 3b9x s GLN 74 Cb -0.17 -3.29 -0.03 0.00 -0.22 0.00 0.00 33.01 29.30 3b9x s GLN 74 CO 0.57 -0.22 1.34 -1.14 -0.25 0.00 0.00 175.29 175.58 3b9x s GLN 75 N 0.56 2.90 0.05 2.91 0.74 -1.26 -5.03 119.66 120.52 3b9x s GLN 75 Ca 0.57 2.17 0.01 0.00 0.05 0.00 0.00 55.36 58.17 3b9x s GLN 75 Cb -0.32 -2.09 -0.03 0.00 1.10 0.00 0.00 33.01 31.67 3b9x s GLN 75 CO 0.32 -1.36 -0.06 0.96 -0.55 0.00 0.00 175.29 174.60 3b9x s ILE 76 N -1.34 0.46 0.36 -2.34 -4.36 -1.26 -5.15 121.20 107.57 3b9x s ILE 76 Ca 0.76 -1.21 0.09 0.00 -0.26 0.00 0.00 60.65 60.03 3b9x s ILE 76 Cb -0.39 -0.74 -0.07 0.00 1.25 0.00 0.00 42.46 42.50 3b9x s ILE 76 CO 0.45 -0.51 -0.06 0.68 0.24 0.00 0.00 174.94 175.73 3b9x s VAL 77 N -1.87 2.19 0.00 8.37 -7.23 -1.26 -4.78 120.40 115.82 3b9x s VAL 77 Ca -0.07 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 57.96 3b9x s VAL 77 Cb -0.07 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.13 3b9x s VAL 77 CO -0.01 -0.15 0.00 0.00 -0.31 0.00 0.00 175.10 174.63 3b9x n ALA 78 N -0.85 0.00 0.00 1.32 0.00 -0.78 -5.01 120.51 115.20 3b9x n ALA 78 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3b9x n ALA 78 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 3b9x n ALA 78 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3b9x n ILE 81 N -0.44 0.00 0.81 0.00 2.08 -1.26 -4.53 119.36 116.02 3b9x n ILE 81 Ca 0.00 0.00 0.08 0.00 0.56 0.00 0.00 62.75 63.39 3b9x n ILE 81 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 38.81 3b9x n ILE 81 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 3b9x n HIS 82 N 0.00 0.00 -1.98 1.39 8.25 -1.26 -4.80 115.22 116.82 3b9x n HIS 82 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3b9x n HIS 82 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3b9x n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3b9x n GLY 83 N 1.38 -1.88 0.06 -1.41 0.00 -1.26 -2.91 105.19 99.18 3b9x n GLY 83 Ca 0.04 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 3b9x n GLY 83 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3b9x h ASP 84 N 0.00 0.06 1.53 1.61 3.58 -1.99 -3.09 116.42 118.12 3b9x h ASP 84 Ca 0.00 -0.20 -0.09 0.00 0.42 0.00 0.00 57.03 57.16 3b9x h ASP 84 Cb 0.00 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 3b9x h ASP 84 CO 0.00 0.24 -0.42 0.71 -2.88 0.00 0.00 179.24 176.89 3b9x h THR 85 N -0.12 0.73 0.00 2.25 1.35 -2.00 -3.48 112.91 111.64 3b9x h THR 85 Ca 0.01 -2.00 0.00 0.00 -0.55 0.00 0.00 66.41 63.88 3b9x h THR 85 Cb 0.20 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 3b9x h THR 85 CO -0.00 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 3b9x n GLY 86 N 1.14 0.70 2.63 5.82 0.00 -1.17 -4.71 105.19 109.61 3b9x n GLY 86 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 3b9x n GLY 86 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3b9x n LEU 87 N 0.00 -0.94 -4.80 0.99 7.94 -1.14 -1.21 117.00 117.83 3b9x n LEU 87 Ca 0.00 -3.78 -0.33 0.00 -1.11 0.00 0.00 56.01 50.79 3b9x n LEU 87 Cb 0.00 0.43 0.02 0.00 0.53 0.00 0.00 43.42 44.40 3b9x n LEU 87 CO 0.00 1.92 0.72 -1.81 -1.11 0.00 0.00 177.39 177.11 3b9x s ASP 88 N -1.79 5.70 0.00 1.96 1.01 -1.23 -4.49 116.67 117.83 3b9x s ASP 88 Ca 0.25 1.84 0.00 0.00 0.71 0.00 0.00 52.55 55.36 3b9x s ASP 88 Cb 0.38 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.77 3b9x s ASP 88 CO -0.05 -1.23 0.00 0.61 0.21 0.00 0.00 175.17 174.71 3b9x n GLY 89 N -0.92 2.26 3.73 0.21 0.00 -1.26 -4.65 105.19 104.56 3b9x n GLY 89 Ca 0.09 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 3b9x n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3b9x s PRO 90 N 0.00 1.93 -0.16 1.61 0.04 -1.26 -4.85 135.00 132.32 3b9x s PRO 90 Ca 0.00 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.47 3b9x s PRO 90 Cb 0.00 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 3b9x s PRO 90 CO 0.00 -1.93 -0.12 0.08 0.04 0.00 0.00 177.00 175.07 3b9x s VAL 91 N -2.55 3.02 -0.06 -0.36 1.01 -1.26 -5.07 120.40 115.12 3b9x s VAL 91 Ca 0.66 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 62.03 3b9x s VAL 91 Cb -0.22 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 3b9x s VAL 91 CO 0.52 0.50 -0.16 -0.36 0.00 0.00 0.00 175.10 175.60 3b9x s PHE 92 N 0.73 2.68 0.87 5.22 0.08 -1.26 -5.12 117.98 121.17 3b9x s PHE 92 Ca -0.05 -0.32 -0.13 0.00 0.12 0.00 0.00 56.93 56.54 3b9x s PHE 92 Cb -0.15 -1.66 0.05 0.00 -0.57 0.00 0.00 43.02 40.69 3b9x s PHE 92 CO 0.02 0.06 0.74 0.39 -0.10 0.00 0.00 175.22 176.32 3b9x n GLU 93 N 2.62 -0.09 -1.62 0.44 -0.58 -1.26 -4.88 120.64 115.27 3b9x n GLU 93 Ca -0.17 0.03 -0.45 0.00 -0.42 0.00 0.00 57.16 56.15 3b9x n GLU 93 Cb 0.52 -2.08 -0.02 0.00 -0.57 0.00 0.00 31.44 29.30 3b9x n GLU 93 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3b9x n PRO 94 N -2.30 1.54 -2.27 3.49 -0.02 -1.26 -4.87 135.00 129.31 3b9x n PRO 94 Ca 0.10 0.54 -0.43 0.00 -2.02 0.00 0.00 63.50 61.69 3b9x n PRO 94 Cb 0.52 -1.99 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 3b9x n PRO 94 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3b9x s LEU 95 N 0.16 3.98 0.00 2.45 0.20 -1.26 -4.86 118.68 119.35 3b9x s LEU 95 Ca 0.60 1.55 0.14 0.00 0.69 0.00 0.00 54.13 57.12 3b9x s LEU 95 Cb -0.69 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 41.51 3b9x s LEU 95 CO 0.59 -1.07 0.76 0.35 -0.29 0.00 0.00 176.35 176.69 3b9x n THR 96 N 6.05 0.00 -3.16 3.68 -2.24 -1.26 -4.99 114.28 112.36 3b9x n THR 96 Ca 0.16 -0.32 -0.36 0.00 -2.27 0.00 0.00 64.05 61.26 3b9x n THR 96 Cb 0.45 1.14 -0.06 0.00 -2.10 0.00 0.00 70.33 69.77 3b9x n THR 96 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3b9x s ARG 97 N -1.84 4.18 0.06 -0.78 3.52 -1.26 -5.08 118.95 117.74 3b9x s ARG 97 Ca 0.11 0.77 0.06 0.00 -0.13 0.00 0.00 55.73 56.54 3b9x s ARG 97 Cb 0.11 -2.87 -0.03 0.00 -1.56 0.00 0.00 34.95 30.60 3b9x s ARG 97 CO 0.40 0.40 -0.17 -0.65 -0.81 0.00 0.00 175.30 174.47 3b9x s GLN 98 N -2.01 1.03 0.56 5.12 -0.21 -1.26 -4.98 119.66 117.90 3b9x s GLN 98 Ca 0.42 -0.92 -0.21 0.00 0.02 0.00 0.00 55.36 54.67 3b9x s GLN 98 Cb -0.16 -1.11 -0.04 0.00 1.00 0.00 0.00 33.01 32.70 3b9x s GLN 98 CO 0.20 0.27 1.33 0.00 -2.12 0.00 0.00 175.29 174.97 3b9x s ALA 99 N -1.01 2.74 0.82 6.09 0.00 -1.26 -4.79 121.76 124.35 3b9x s ALA 99 Ca 0.03 1.28 -0.12 0.00 0.00 0.00 0.00 51.96 53.14 3b9x s ALA 99 Cb -0.09 -3.55 0.09 0.00 0.00 0.00 0.00 23.12 19.57 3b9x s ALA 99 CO 0.02 -1.36 1.16 -1.21 0.00 0.00 0.00 175.76 174.38 3b9x s GLU 100 N -2.99 1.62 0.12 0.00 0.41 0.36 -4.97 118.70 113.25 3b9x s GLU 100 Ca 0.73 1.58 -0.07 0.00 -0.41 0.00 0.00 54.97 56.81 3b9x s GLU 100 Cb -0.39 -1.79 -0.11 0.00 -1.78 0.00 0.00 34.13 30.06 3b9x s GLU 100 CO 0.45 -2.19 1.30 0.66 -0.49 0.00 0.00 175.26 174.98 3b9x h SER 101 N -1.16 0.66 -3.02 -0.19 4.64 -1.95 -3.43 113.55 109.10 3b9x h SER 101 Ca -0.45 -0.50 -0.54 0.00 -0.47 0.00 0.00 61.79 59.83 3b9x h SER 101 Cb 1.27 -0.20 0.08 0.00 -0.31 0.00 0.00 62.40 63.24 3b9x h SER 101 CO 0.46 1.29 0.87 0.41 -0.87 0.00 0.00 176.83 178.99 3b9x n THR 102 N -3.80 0.74 -2.17 2.95 -1.04 -1.26 -4.95 114.28 104.74 3b9x n THR 102 Ca -0.07 -0.19 -0.39 0.00 -2.04 0.00 0.00 64.05 61.36 3b9x n THR 102 Cb 0.82 -1.89 -0.02 0.00 -1.82 0.00 0.00 70.33 67.43 3b9x n THR 102 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3b9x s HIS 103 N 0.29 3.00 0.33 -1.42 2.46 -1.26 -4.53 115.29 114.16 3b9x s HIS 103 Ca 0.68 1.48 0.08 0.00 0.47 0.00 0.00 55.06 57.76 3b9x s HIS 103 Cb -0.53 -3.55 0.78 0.00 -0.13 0.00 0.00 32.58 29.15 3b9x s HIS 103 CO 0.45 -1.68 1.83 0.00 -2.47 0.00 0.00 174.74 172.86 3b9x h ALA 104 N 2.88 1.78 -0.33 1.58 0.00 -1.52 0.03 119.26 123.67 3b9x h ALA 104 Ca -0.49 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 3b9x h ALA 104 Cb 1.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3b9x h ALA 104 CO 0.63 -0.07 -0.13 0.28 0.00 0.00 0.00 179.25 179.96 3b9x h VAL 105 N 0.74 1.29 -0.13 0.00 2.07 -1.88 -1.38 116.25 116.96 3b9x h VAL 105 Ca 0.51 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 3b9x h VAL 105 Cb 0.81 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3b9x h VAL 105 CO -0.27 0.40 0.02 0.50 0.02 0.00 0.00 177.57 178.23 3b9x h LYS 106 N 0.45 0.21 -0.72 1.57 3.64 -1.77 -2.38 116.57 117.57 3b9x h LYS 106 Ca 0.08 -0.06 0.16 0.00 -1.27 0.00 0.00 60.65 59.56 3b9x h LYS 106 Cb 0.65 -0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.32 3b9x h LYS 106 CO 0.04 0.42 0.01 -0.92 -2.27 0.00 0.00 179.45 176.73 3b9x h TYR 107 N -0.02 -0.04 -0.21 1.91 3.20 -0.93 -0.19 116.97 120.69 3b9x h TYR 107 Ca 0.04 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3b9x h TYR 107 Cb 0.31 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 3b9x h TYR 107 CO 0.02 -0.22 0.08 0.82 -1.64 0.00 0.00 178.16 177.22 3b9x h ILE 108 N 0.11 1.18 0.53 1.81 2.04 -1.11 -1.78 117.51 120.28 3b9x h ILE 108 Ca 0.39 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 3b9x h ILE 108 Cb 0.68 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3b9x h ILE 108 CO -0.63 0.18 -0.26 0.40 0.00 0.00 0.00 178.15 177.84 3b9x h ILE 109 N 0.18 0.48 -0.37 -0.67 2.04 -0.92 -1.94 117.51 116.31 3b9x h ILE 109 Ca 0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 3b9x h ILE 109 Cb 0.20 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3b9x h ILE 109 CO -0.00 0.00 0.16 0.44 0.00 0.00 0.00 178.15 178.75 3b9x h ASP 110 N -0.71 0.50 -0.54 1.72 3.32 -1.07 0.50 116.42 120.13 3b9x h ASP 110 Ca -0.07 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 56.87 3b9x h ASP 110 Cb 0.55 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 3b9x h ASP 110 CO 0.12 0.51 0.30 0.74 -1.72 0.00 0.00 179.24 179.18 3b9x h THR 111 N 0.46 1.00 -0.28 0.35 2.02 -1.37 -0.34 112.91 114.75 3b9x h THR 111 Ca 0.13 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 67.03 3b9x h THR 111 Cb 0.15 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3b9x h THR 111 CO -0.01 0.11 -0.13 -0.07 0.37 0.00 0.00 175.52 175.78 3b9x h LEU 112 N 0.59 0.60 -0.63 2.58 3.38 -1.13 -2.12 115.31 118.58 3b9x h LEU 112 Ca 0.23 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3b9x h LEU 112 Cb 0.09 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3b9x h LEU 112 CO -0.13 0.87 0.39 0.24 0.09 0.00 0.00 178.44 179.90 3b9x h MET 113 N 0.32 0.85 0.00 1.13 2.86 -0.79 -2.75 114.93 116.55 3b9x h MET 113 Ca 0.06 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3b9x h MET 113 Cb 0.64 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 3b9x h MET 113 CO 0.04 0.60 -0.14 0.00 1.06 0.00 0.00 176.91 178.47 3b9x h ALA 114 N 1.20 1.04 -2.06 6.32 0.00 -1.05 -3.46 119.26 121.24 3b9x h ALA 114 Ca 0.23 -0.13 -0.42 0.00 0.00 0.00 0.00 54.91 54.59 3b9x h ALA 114 Cb -0.04 -0.02 0.19 0.00 0.00 0.00 0.00 17.79 17.91 3b9x h ALA 114 CO -0.04 0.17 0.14 -1.54 0.00 0.00 0.00 179.25 177.98 3b9x s SER 115 N -6.02 1.13 -0.15 0.00 1.04 -0.80 -4.98 113.70 103.92 3b9x s SER 115 Ca 0.00 0.71 0.16 0.00 0.48 0.00 0.00 55.95 57.31 3b9x s SER 115 Cb 0.10 -1.02 0.69 0.00 0.10 0.00 0.00 66.02 65.89 3b9x s SER 115 CO 0.60 -4.00 1.61 -0.67 0.98 0.00 0.00 173.24 171.75 3b9x n ASP 116 N -4.69 4.77 0.00 7.02 2.03 -1.26 -4.96 116.55 119.46 3b9x n ASP 116 Ca 0.12 -2.64 0.00 0.00 0.52 0.00 0.00 54.79 52.79 3b9x n ASP 116 Cb 0.59 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 3b9x n ASP 116 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3b9x n GLY 117 N 0.68 0.52 0.74 0.27 0.00 -1.26 -4.96 105.19 101.17 3b9x n GLY 117 Ca 0.25 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 46.08 3b9x n GLY 117 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3b9x n ASP 118 N 0.46 3.31 -4.74 1.61 5.75 -1.26 -3.55 116.55 118.13 3b9x n ASP 118 Ca 0.00 -2.42 -0.40 0.00 -0.01 0.00 0.00 54.79 51.96 3b9x n ASP 118 Cb 0.00 -0.36 -0.05 0.00 -1.03 0.00 0.00 41.12 39.69 3b9x n ASP 118 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3b9x s ILE 119 N -1.75 4.66 -0.13 2.12 1.01 -1.26 -4.47 121.20 121.38 3b9x s ILE 119 Ca 0.31 1.81 -0.07 0.00 0.00 0.00 0.00 60.65 62.70 3b9x s ILE 119 Cb 0.21 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 3b9x s ILE 119 CO 0.13 0.34 0.13 -0.89 0.00 0.00 0.00 174.94 174.64 3b9x s THR 120 N 0.03 5.38 -0.08 2.92 2.01 -0.37 -1.78 115.64 123.75 3b9x s THR 120 Ca 0.42 0.16 -0.08 0.00 0.31 0.00 0.00 61.69 62.50 3b9x s THR 120 Cb -0.21 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 3b9x s THR 120 CO 0.26 0.60 0.20 -0.76 -0.69 0.00 0.00 174.62 174.23 3b9x s LEU 121 N -0.85 4.41 -0.53 4.42 1.43 -0.66 -2.09 118.68 124.81 3b9x s LEU 121 Ca 0.14 0.57 0.04 0.00 -1.03 0.00 0.00 54.13 53.85 3b9x s LEU 121 Cb -0.12 -2.23 0.16 0.00 0.03 0.00 0.00 46.19 44.03 3b9x s LEU 121 CO 0.03 0.38 0.39 -0.69 0.23 0.00 0.00 176.35 176.69 3b9x s VAL 122 N -1.07 1.49 -0.02 -1.59 1.01 -0.35 -1.13 120.40 118.74 3b9x s VAL 122 Ca 0.18 -3.28 -0.23 0.00 0.00 0.00 0.00 61.98 58.65 3b9x s VAL 122 Cb -0.13 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 3b9x s VAL 122 CO 0.07 -1.10 0.69 -2.16 0.00 0.00 0.00 175.10 172.61 3b9x s PRO 123 N -0.49 4.43 -0.01 2.72 0.05 -1.23 -1.65 135.00 138.81 3b9x s PRO 123 Ca 0.28 0.90 0.01 0.00 0.05 0.00 0.00 61.00 62.24 3b9x s PRO 123 Cb -0.03 -3.40 0.02 0.00 0.05 0.00 0.00 34.50 31.14 3b9x s PRO 123 CO -0.16 0.21 0.89 1.33 0.05 0.00 0.00 177.00 179.32 3b9x n VAL 124 N 3.22 0.17 -3.51 -0.36 0.24 -0.01 -1.05 118.33 117.02 3b9x n VAL 124 Ca -0.03 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 3b9x n VAL 124 Cb 0.51 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 3b9x n VAL 124 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3b9x n GLY 125 N -0.12 5.73 3.61 7.63 0.00 -1.25 -4.66 105.19 116.13 3b9x n GLY 125 Ca 0.01 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 3b9x n GLY 125 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3b9x n PRO 126 N 0.00 0.09 -0.71 1.61 -0.02 -1.26 -4.86 135.00 129.85 3b9x n PRO 126 Ca 0.00 0.10 -0.01 0.00 -2.02 0.00 0.00 63.50 61.57 3b9x n PRO 126 Cb 0.00 -2.25 0.25 0.00 -0.02 0.00 0.00 33.50 31.49 3b9x n PRO 126 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3b9x n LEU 127 N -2.55 4.75 -0.13 2.45 4.77 -1.26 -4.58 117.00 120.46 3b9x n LEU 127 Ca 0.12 -2.44 -0.04 0.00 -0.03 0.00 0.00 56.01 53.61 3b9x n LEU 127 Cb 0.51 -0.66 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 3b9x n LEU 127 CO 0.49 0.62 0.80 0.28 -1.33 0.00 0.00 177.39 178.25 3b9x h SER 128 N 2.34 -0.33 -0.41 -1.43 0.02 -1.91 -1.28 113.55 110.56 3b9x h SER 128 Ca 0.12 0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.12 3b9x h SER 128 Cb 1.77 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 64.52 3b9x h SER 128 CO 0.47 -0.11 0.06 0.78 -1.14 0.00 0.00 176.83 176.89 3b9x h ASN 129 N 0.03 0.72 -0.05 3.07 2.35 -1.93 -2.14 115.58 117.63 3b9x h ASN 129 Ca 0.20 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 3b9x h ASN 129 Cb 0.31 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3b9x h ASN 129 CO -0.40 0.75 -0.11 0.40 -1.65 0.00 0.00 177.43 176.42 3b9x h ILE 130 N 0.73 1.43 -0.70 2.81 1.08 -1.81 -2.43 117.51 118.61 3b9x h ILE 130 Ca 0.15 -1.44 -0.06 0.00 -0.39 0.00 0.00 64.86 63.12 3b9x h ILE 130 Cb 0.36 2.27 -0.03 0.00 -3.07 0.00 0.00 36.82 36.35 3b9x h ILE 130 CO 0.01 0.40 0.21 0.00 -0.69 0.00 0.00 178.15 178.07 3b9x h ALA 131 N 0.46 0.92 -0.35 1.87 0.00 -1.19 -0.73 119.26 120.24 3b9x h ALA 131 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3b9x h ALA 131 Cb 0.70 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3b9x h ALA 131 CO 0.02 0.61 0.12 0.28 0.00 0.00 0.00 179.25 180.28 3b9x h VAL 132 N 1.04 1.20 -0.46 0.00 2.07 -1.44 -2.20 116.25 116.46 3b9x h VAL 132 Ca 0.23 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 3b9x h VAL 132 Cb 0.32 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3b9x h VAL 132 CO -0.01 0.22 0.16 0.00 0.02 0.00 0.00 177.57 177.97 3b9x h ALA 133 N 0.96 0.60 -0.54 1.67 0.00 -1.27 0.90 119.26 121.59 3b9x h ALA 133 Ca 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3b9x h ALA 133 Cb 0.23 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3b9x h ALA 133 CO -0.01 0.24 0.32 0.52 0.00 0.00 0.00 179.25 180.32 3b9x h MET 134 N 0.61 0.73 0.00 0.00 2.86 -0.97 -0.59 114.93 117.57 3b9x h MET 134 Ca 0.15 -0.06 -0.26 0.00 -2.06 0.00 0.00 59.70 57.47 3b9x h MET 134 Cb 0.23 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 3b9x h MET 134 CO -0.01 0.52 -1.51 0.00 1.06 0.00 0.00 176.91 176.96 3b9x h ARG 135 N 0.74 0.00 -0.25 1.72 2.47 -1.33 -2.83 114.38 114.90 3b9x h ARG 135 Ca 0.20 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.75 3b9x h ARG 135 Cb -0.02 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.29 3b9x h ARG 135 CO -0.04 0.58 -0.53 1.98 0.56 0.00 0.00 179.97 182.53 3b9x h MET 136 N 0.00 0.72 -2.38 0.04 4.05 -0.58 -3.39 114.93 113.39 3b9x h MET 136 Ca -0.21 -0.44 -0.55 0.00 -0.28 0.00 0.00 59.70 58.22 3b9x h MET 136 Cb 1.92 0.05 -0.37 0.00 -0.80 0.00 0.00 31.60 32.39 3b9x h MET 136 CO 0.09 1.06 -0.87 -1.14 0.23 0.00 0.00 176.91 176.28 3b9x s GLN 137 N -4.10 0.70 0.61 0.39 2.00 -0.25 -4.99 119.66 114.02 3b9x s GLN 137 Ca -0.09 -1.56 0.31 0.00 -2.00 0.00 0.00 55.36 52.02 3b9x s GLN 137 Cb 0.11 -1.24 1.68 0.00 0.80 0.00 0.00 33.01 34.36 3b9x s GLN 137 CO 0.86 -1.28 1.93 -1.35 -0.50 0.00 0.00 175.29 174.96 3b9x h PRO 138 N 6.45 0.00 0.00 1.67 0.11 -1.71 -2.76 132.00 135.76 3b9x h PRO 138 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3b9x h PRO 138 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3b9x h PRO 138 CO 0.29 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.08 3b9x n ALA 139 N -1.89 2.02 0.26 -0.75 0.00 -1.26 -2.54 120.51 116.36 3b9x n ALA 139 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.55 3b9x n ALA 139 Cb 0.29 -1.42 0.71 0.00 0.00 0.00 0.00 19.45 19.03 3b9x n ALA 139 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3b9x h ILE 140 N 0.00 0.51 0.09 0.00 3.07 -1.85 -3.36 117.51 115.97 3b9x h ILE 140 Ca 0.00 -0.58 0.02 0.00 1.55 0.00 0.00 64.86 65.85 3b9x h ILE 140 Cb 0.55 1.39 -0.04 0.00 -0.27 0.00 0.00 36.82 38.45 3b9x h ILE 140 CO 0.00 0.12 -0.28 -0.07 -1.05 0.00 0.00 178.15 176.87 3b9x h LEU 141 N 0.00 -0.80 -1.03 0.16 3.38 -1.72 -0.37 115.31 114.93 3b9x h LEU 141 Ca -0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3b9x h LEU 141 Cb 0.38 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3b9x h LEU 141 CO 0.02 -0.36 0.00 1.55 0.09 0.00 0.00 178.44 179.73 3b9x h PRO 142 N -0.48 0.00 0.00 1.13 0.13 -1.82 -2.87 132.00 128.09 3b9x h PRO 142 Ca 0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.15 3b9x h PRO 142 Cb 0.52 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 3b9x h PRO 142 CO -0.18 0.00 -0.09 0.87 -0.23 0.00 0.00 178.00 178.37 3b9x h LYS 143 N 0.00 0.00 -6.04 0.86 1.79 -1.26 -3.44 116.57 108.48 3b9x h LYS 143 Ca 0.00 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.88 3b9x h LYS 143 Cb 0.26 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.83 3b9x h LYS 143 CO 0.00 0.09 0.65 0.42 -1.08 0.00 0.00 179.45 179.53 3b9x s ILE 144 N -3.41 4.66 0.14 1.86 1.01 -1.00 -4.11 121.20 120.36 3b9x s ILE 144 Ca 0.04 1.57 -0.12 0.00 0.00 0.00 0.00 60.65 62.14 3b9x s ILE 144 Cb 0.07 -4.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 3b9x s ILE 144 CO 0.63 -0.32 1.51 -0.09 0.00 0.00 0.00 174.94 176.68 3b9x h ARG 145 N 7.97 0.90 -2.05 2.79 2.43 -1.40 -3.45 114.38 121.58 3b9x h ARG 145 Ca -0.22 -0.41 0.07 0.00 -0.81 0.00 0.00 59.98 58.62 3b9x h ARG 145 Cb 1.08 -0.02 -0.18 0.00 -0.42 0.00 0.00 29.97 30.43 3b9x h ARG 145 CO 0.96 1.06 0.46 -2.00 -1.51 0.00 0.00 179.97 178.94 3b9x s GLU 146 N -4.60 0.80 -0.18 0.20 2.12 -1.26 -4.58 118.70 111.21 3b9x s GLU 146 Ca -0.12 -0.10 -0.00 0.00 0.36 0.00 0.00 54.97 55.11 3b9x s GLU 146 Cb 0.11 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.88 3b9x s GLU 146 CO 0.86 -0.31 -0.15 0.42 -0.54 0.00 0.00 175.26 175.54 3b9x s ILE 147 N -2.26 2.59 -0.37 -3.70 1.01 0.42 -1.65 121.20 117.24 3b9x s ILE 147 Ca 0.01 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 3b9x s ILE 147 Cb -0.01 -2.12 0.09 0.00 0.01 0.00 0.00 42.46 40.44 3b9x s ILE 147 CO -0.03 0.50 0.12 -0.69 0.00 0.00 0.00 174.94 174.84 3b9x s VAL 148 N 1.14 3.06 0.10 2.92 1.01 -0.28 -0.14 120.40 128.21 3b9x s VAL 148 Ca 0.01 -1.91 0.07 0.00 0.00 0.00 0.00 61.98 60.15 3b9x s VAL 148 Cb -0.14 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 3b9x s VAL 148 CO -0.06 -0.51 -0.08 -1.48 0.00 0.00 0.00 175.10 172.97 3b9x s LEU 149 N 1.14 3.12 -0.34 3.92 0.05 0.04 -3.57 118.68 123.02 3b9x s LEU 149 Ca 0.05 -0.35 -0.13 0.00 0.05 0.00 0.00 54.13 53.75 3b9x s LEU 149 Cb -0.21 -1.90 -0.02 0.00 -2.05 0.00 0.00 46.19 42.01 3b9x s LEU 149 CO -0.04 0.18 0.24 -0.32 -0.55 0.00 0.00 176.35 175.86 3b9x s MET 150 N -2.21 3.46 0.00 1.48 -2.45 -0.21 -0.94 119.30 118.43 3b9x s MET 150 Ca 0.22 -0.66 0.00 0.00 -1.25 0.00 0.00 55.69 54.00 3b9x s MET 150 Cb -0.11 -3.80 0.00 0.00 1.25 0.00 0.00 34.83 32.16 3b9x s MET 150 CO 0.14 -0.46 0.00 0.41 1.05 0.00 0.00 175.02 176.17 3b9x n GLY 151 N 5.10 1.62 0.00 2.11 0.00 -0.85 -4.59 105.19 108.58 3b9x n GLY 151 Ca -0.13 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3b9x n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b9x n GLY 152 N -0.38 -1.10 3.64 -0.02 0.00 -1.26 -3.72 105.19 102.35 3b9x n GLY 152 Ca 0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 46.02 44.38 3b9x n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b9x s ALA 153 N -1.01 -2.16 -0.30 4.61 0.00 -1.26 -1.33 121.76 120.30 3b9x s ALA 153 Ca 0.00 2.15 0.20 0.00 0.00 0.00 0.00 51.96 54.31 3b9x s ALA 153 Cb 0.00 -1.62 0.17 0.00 0.00 0.00 0.00 23.12 21.68 3b9x s ALA 153 CO 0.00 -0.32 1.42 0.10 0.00 0.00 0.00 175.76 176.96 3b9x h TYR 154 N 5.71 0.00 0.00 0.00 -0.00 -1.96 -3.41 116.97 117.30 3b9x h TYR 154 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.45 3b9x h TYR 154 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.92 3b9x h TYR 154 CO 0.16 0.20 0.00 0.41 -0.00 0.00 0.00 178.16 178.93 3b9x n GLY 155 N 1.17 0.50 3.79 0.10 0.00 -1.26 -4.84 105.19 104.65 3b9x n GLY 155 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3b9x n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b9x s THR 156 N 2.84 4.44 0.08 2.61 2.01 -1.26 -4.91 115.64 121.45 3b9x s THR 156 Ca 0.00 1.58 -0.01 0.00 0.31 0.00 0.00 61.69 63.57 3b9x s THR 156 Cb 0.00 -4.05 0.02 0.00 0.01 0.00 0.00 72.50 68.47 3b9x s THR 156 CO 0.00 0.45 0.11 0.61 -0.69 0.00 0.00 174.62 175.10 3b9x n GLY 157 N 1.38 -0.60 0.97 4.40 0.00 -0.73 -4.86 105.19 105.75 3b9x n GLY 157 Ca -0.05 -1.76 -0.01 0.00 0.00 0.00 0.00 46.02 44.20 3b9x n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3b9x n ASN 158 N -3.05 0.63 -0.35 1.61 0.23 -0.93 -4.72 115.26 108.68 3b9x n ASN 158 Ca 0.02 0.08 -0.01 0.00 -0.53 0.00 0.00 54.58 54.14 3b9x n ASN 158 Cb 0.05 -0.20 0.12 0.00 -2.08 0.00 0.00 39.78 37.67 3b9x n ASN 158 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 3b9x h PHE 159 N -0.06 1.16 -3.28 -2.53 3.57 -1.86 -3.43 116.94 110.51 3b9x h PHE 159 Ca -0.02 0.03 -0.40 0.00 3.53 0.00 0.00 57.97 61.11 3b9x h PHE 159 Cb 0.56 -0.39 -0.14 0.00 2.79 0.00 0.00 35.95 38.77 3b9x h PHE 159 CO -0.02 0.68 -0.64 0.95 -2.23 0.00 0.00 178.31 177.06 3b9x s THR 160 N -6.10 0.99 0.66 4.41 -4.23 -1.05 -5.01 115.64 105.31 3b9x s THR 160 Ca -0.13 -2.02 0.39 0.00 -1.18 0.00 0.00 61.69 58.75 3b9x s THR 160 Cb 0.18 -2.51 0.39 0.00 1.34 0.00 0.00 72.50 71.90 3b9x s THR 160 CO 0.81 -0.18 2.21 -0.65 -0.54 0.00 0.00 174.62 176.27 3b9x h PRO 161 N 2.37 0.00 0.00 3.99 0.11 -1.84 -3.06 132.00 133.56 3b9x h PRO 161 Ca -0.39 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.45 3b9x h PRO 161 Cb 1.23 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 3b9x h PRO 161 CO 0.65 0.00 -2.19 0.43 -0.21 0.00 0.00 178.00 176.68 3b9x n SER 162 N -3.10 0.47 -4.06 -2.05 7.64 -1.26 -1.78 113.62 109.48 3b9x n SER 162 Ca -0.02 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.65 3b9x n SER 162 Cb 0.19 1.14 -0.15 0.00 -1.01 0.00 0.00 64.21 64.38 3b9x n SER 162 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3b9x s ALA 163 N -2.63 0.95 0.27 -0.43 0.00 -1.16 -4.36 121.76 114.41 3b9x s ALA 163 Ca -0.09 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.24 3b9x s ALA 163 Cb 0.07 -0.25 -0.08 0.00 0.00 0.00 0.00 23.12 22.85 3b9x s ALA 163 CO 0.77 0.22 0.69 -2.00 0.00 0.00 0.00 175.76 175.44 3b9x s GLU 164 N -0.21 4.04 0.14 0.00 -6.30 -1.26 -2.18 118.70 112.92 3b9x s GLU 164 Ca 0.03 0.66 -0.24 0.00 -2.50 0.00 0.00 54.97 52.93 3b9x s GLU 164 Cb -0.05 -2.62 -0.01 0.00 0.00 0.00 0.00 34.13 31.45 3b9x s GLU 164 CO -0.00 0.27 1.64 0.35 0.02 0.00 0.00 175.26 177.53 3b9x h PHE 165 N 2.71 -0.64 -0.70 5.30 3.57 -1.95 -0.89 116.94 124.35 3b9x h PHE 165 Ca -0.48 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.20 3b9x h PHE 165 Cb 1.18 0.30 -0.10 0.00 2.79 0.00 0.00 35.95 40.12 3b9x h PHE 165 CO 0.63 -0.32 0.15 -0.91 -2.23 0.00 0.00 178.31 175.63 3b9x h ASN 166 N -0.31 -0.01 0.00 0.41 2.35 -1.90 0.22 115.58 116.35 3b9x h ASN 166 Ca 0.10 0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3b9x h ASN 166 Cb 0.45 0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.01 3b9x h ASN 166 CO -0.30 -0.03 -0.00 0.40 -1.65 0.00 0.00 177.43 175.85 3b9x h ILE 167 N 0.26 1.44 -0.78 2.81 1.08 -1.81 -3.30 117.51 117.22 3b9x h ILE 167 Ca 0.39 -1.32 0.19 0.00 -0.39 0.00 0.00 64.86 63.72 3b9x h ILE 167 Cb 0.64 2.34 -0.05 0.00 -3.07 0.00 0.00 36.82 36.68 3b9x h ILE 167 CO -0.49 0.34 0.53 0.15 -0.69 0.00 0.00 178.15 178.00 3b9x h PHE 168 N -0.57 0.33 0.00 1.37 3.57 -0.81 -1.22 116.94 119.61 3b9x h PHE 168 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3b9x h PHE 168 Cb 0.56 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.20 3b9x h PHE 168 CO 0.12 0.10 0.00 0.00 -2.23 0.00 0.00 178.31 176.31 3b9x h ALA 169 N 1.64 1.00 -0.66 2.41 0.00 -1.03 -3.37 119.26 119.24 3b9x h ALA 169 Ca 0.39 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.15 3b9x h ALA 169 Cb 1.13 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.77 3b9x h ALA 169 CO -0.10 0.00 -0.45 -3.47 0.00 0.00 0.00 179.25 175.24 3b9x n ASP 170 N -2.93 -3.12 -0.04 0.00 -0.08 -0.57 -4.71 116.55 105.10 3b9x n ASP 170 Ca 0.02 -2.83 0.01 0.00 -1.51 0.00 0.00 54.79 50.47 3b9x n ASP 170 Cb 0.34 1.67 0.32 0.00 2.34 0.00 0.00 41.12 45.79 3b9x n ASP 170 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3b9x h PRO 171 N 4.64 0.61 -0.21 -0.67 0.11 -1.44 -2.34 132.00 132.70 3b9x h PRO 171 Ca -0.01 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 65.97 3b9x h PRO 171 Cb 1.10 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3b9x h PRO 171 CO 0.07 0.53 -0.06 0.93 -0.21 0.00 0.00 178.00 179.27 3b9x h GLU 172 N 0.61 0.42 -0.56 1.05 3.07 -1.95 0.76 114.58 117.97 3b9x h GLU 172 Ca 0.15 -0.16 0.08 0.00 -0.50 0.00 0.00 59.36 58.92 3b9x h GLU 172 Cb 0.16 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 27.98 3b9x h GLU 172 CO -0.01 0.66 0.22 0.00 -1.40 0.00 0.00 179.01 178.49 3b9x h ALA 173 N 0.74 0.71 -0.54 3.43 0.00 -1.88 -1.82 119.26 119.90 3b9x h ALA 173 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3b9x h ALA 173 Cb 0.51 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3b9x h ALA 173 CO 0.02 -0.17 0.35 0.00 0.00 0.00 0.00 179.25 179.46 3b9x h ALA 174 N 1.36 0.68 -0.82 0.00 0.00 -0.98 -1.95 119.26 117.55 3b9x h ALA 174 Ca 0.27 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.23 3b9x h ALA 174 Cb 0.29 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 3b9x h ALA 174 CO -0.26 0.13 0.48 -0.09 0.00 0.00 0.00 179.25 179.51 3b9x h ARG 175 N 0.73 0.79 0.16 0.00 9.65 -0.08 -0.36 114.38 125.27 3b9x h ARG 175 Ca 0.20 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 3b9x h ARG 175 Cb -0.08 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.31 3b9x h ARG 175 CO -0.04 0.52 -0.17 0.28 2.80 0.00 0.00 179.97 183.36 3b9x h VAL 176 N 0.81 0.63 -0.87 0.20 2.07 -0.99 -2.00 116.25 116.10 3b9x h VAL 176 Ca 0.39 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.97 3b9x h VAL 176 Cb 0.33 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 3b9x h VAL 176 CO -0.23 0.00 0.57 0.58 0.02 0.00 0.00 177.57 178.51 3b9x h VAL 177 N -0.36 1.08 0.00 2.57 2.07 -0.59 -2.33 116.25 118.69 3b9x h VAL 177 Ca 0.00 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3b9x h VAL 177 Cb 0.35 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3b9x h VAL 177 CO -0.05 0.18 -0.23 0.49 0.02 0.00 0.00 177.57 177.99 3b9x n PHE 178 N -4.48 0.63 0.07 1.57 3.72 -0.22 -2.78 117.46 115.97 3b9x n PHE 178 Ca 0.13 0.18 0.09 0.00 -0.05 0.00 0.00 57.45 57.80 3b9x n PHE 178 Cb 0.18 -0.75 0.19 0.00 -0.94 0.00 0.00 39.48 38.17 3b9x n PHE 178 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3b9x n THR 179 N -2.06 0.66 0.23 4.37 -2.24 -0.78 -4.64 114.28 109.82 3b9x n THR 179 Ca 0.05 -0.83 0.11 0.00 -2.27 0.00 0.00 64.05 61.11 3b9x n THR 179 Cb 0.41 0.80 0.47 0.00 -2.10 0.00 0.00 70.33 69.91 3b9x n THR 179 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3b9x h SER 180 N 3.43 0.00 0.00 3.42 4.64 -1.24 -3.47 113.55 120.33 3b9x h SER 180 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3b9x h SER 180 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3b9x h SER 180 CO 0.00 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 3b9x n GLY 181 N 0.24 1.17 3.76 -0.77 0.00 -1.26 -5.03 105.19 103.31 3b9x n GLY 181 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3b9x n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b9x s VAL 182 N -3.68 3.60 0.03 1.61 1.01 -1.26 -4.98 120.40 116.72 3b9x s VAL 182 Ca 0.00 1.53 -0.35 0.00 0.00 0.00 0.00 61.98 63.16 3b9x s VAL 182 Cb 0.00 -3.94 -0.13 0.00 0.00 0.00 0.00 36.38 32.30 3b9x s VAL 182 CO 0.00 0.30 1.68 -2.65 0.00 0.00 0.00 175.10 174.43 3b9x n PRO 183 N 0.97 1.99 -5.28 2.72 -0.02 -1.26 -4.88 135.00 129.24 3b9x n PRO 183 Ca 0.00 0.72 -0.31 0.00 -2.02 0.00 0.00 63.50 61.89 3b9x n PRO 183 Cb 0.46 -2.50 -0.16 0.00 -0.02 0.00 0.00 33.50 31.28 3b9x n PRO 183 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3b9x s LEU 184 N 2.24 2.10 -0.09 2.45 1.43 -1.25 -0.44 118.68 125.11 3b9x s LEU 184 Ca 0.86 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 53.55 3b9x s LEU 184 Cb -0.74 -1.36 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 3b9x s LEU 184 CO 0.46 0.32 -0.23 -0.69 0.23 0.00 0.00 176.35 176.43 3b9x s VAL 185 N -0.58 1.99 -0.22 -1.59 1.01 0.80 -1.46 120.40 120.35 3b9x s VAL 185 Ca 0.09 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.09 3b9x s VAL 185 Cb -0.10 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.59 3b9x s VAL 185 CO -0.01 0.55 -0.14 -0.32 0.00 0.00 0.00 175.10 175.18 3b9x s MET 186 N 0.24 2.70 -0.78 2.72 0.00 0.22 -0.78 119.30 123.61 3b9x s MET 186 Ca -0.15 -1.04 -0.17 0.00 0.00 0.00 0.00 55.69 54.34 3b9x s MET 186 Cb -0.17 -2.76 0.16 0.00 0.00 0.00 0.00 34.83 32.05 3b9x s MET 186 CO 0.07 -0.37 0.85 -1.64 0.00 0.00 0.00 175.02 173.93 3b9x s MET 187 N 1.23 3.42 0.80 4.11 -1.94 -0.12 -0.67 119.30 126.13 3b9x s MET 187 Ca -0.01 -1.89 -0.06 0.00 -1.71 0.00 0.00 55.69 52.02 3b9x s MET 187 Cb -0.16 -4.53 0.15 0.00 2.01 0.00 0.00 34.83 32.30 3b9x s MET 187 CO -0.09 -1.51 1.10 0.20 -0.01 0.00 0.00 175.02 174.71 3b9x s GLY 188 N 3.09 1.76 0.59 -0.03 0.00 -1.24 -2.00 107.32 109.49 3b9x s GLY 188 Ca 0.20 -1.52 0.29 0.00 0.00 0.00 0.00 44.72 43.69 3b9x s GLY 188 CO -0.04 -0.90 2.13 1.41 0.00 0.00 0.00 173.10 175.70 3b9x h LEU 189 N -0.89 0.00 -0.56 0.66 3.38 -1.46 -0.28 115.31 116.16 3b9x h LEU 189 Ca -0.39 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 3b9x h LEU 189 Cb 1.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 3b9x h LEU 189 CO 0.41 0.00 0.13 0.44 0.09 0.00 0.00 178.44 179.50 3b9x h ASP 190 N 0.00 0.85 0.09 -0.43 3.32 -1.87 -1.78 116.42 116.59 3b9x h ASP 190 Ca 0.07 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 3b9x h ASP 190 Cb 0.39 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3b9x h ASP 190 CO -0.00 0.87 -0.04 0.25 -1.72 0.00 0.00 179.24 178.60 3b9x h LEU 191 N 0.80 -0.10 -1.61 1.55 6.46 -1.58 -3.40 115.31 117.43 3b9x h LEU 191 Ca 0.17 -0.22 -0.04 0.00 -0.12 0.00 0.00 57.88 57.67 3b9x h LEU 191 Cb 0.36 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 3b9x h LEU 191 CO 0.00 0.48 -0.20 0.71 -0.62 0.00 0.00 178.44 178.81 3b9x h THR 192 N -1.00 1.11 -0.00 1.05 1.35 -1.10 -0.70 112.91 113.62 3b9x h THR 192 Ca -0.01 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 3b9x h THR 192 Cb 0.31 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3b9x h THR 192 CO 0.02 0.20 0.01 0.78 -0.25 0.00 0.00 175.52 176.27 3b9x h ASN 193 N 0.00 0.00 0.45 5.36 2.35 -1.54 -1.54 115.58 120.66 3b9x h ASN 193 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3b9x h ASN 193 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3b9x h ASN 193 CO 0.03 0.00 0.00 1.56 -1.65 0.00 0.00 177.43 177.37 3b9x h GLN 194 N 0.00 0.00 -1.29 0.81 4.20 -1.33 -3.26 115.11 114.24 3b9x h GLN 194 Ca 0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 3b9x h GLN 194 Cb 0.01 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 27.55 3b9x h GLN 194 CO -0.00 0.00 0.76 0.25 -0.67 0.00 0.00 178.83 179.17 3b9x n THR 195 N -2.34 3.40 -1.71 -0.54 -2.24 -0.58 -4.97 114.28 105.31 3b9x n THR 195 Ca 0.00 -2.75 -0.42 0.00 -2.27 0.00 0.00 64.05 58.61 3b9x n THR 195 Cb 0.15 -1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 67.12 3b9x n THR 195 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3b9x n VAL 196 N -0.46 0.17 -3.33 2.28 0.24 -1.23 -2.61 118.33 113.39 3b9x n VAL 196 Ca 0.53 -0.03 -0.47 0.00 -2.04 0.00 0.00 64.34 62.33 3b9x n VAL 196 Cb 0.59 -2.07 -0.03 0.00 -1.47 0.00 0.00 33.84 30.86 3b9x n VAL 196 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3b9x s THR 198 N 0.53 4.27 0.50 0.00 -4.23 -1.26 -3.82 115.64 111.62 3b9x s THR 198 Ca 0.14 0.44 0.30 0.00 -1.18 0.00 0.00 61.69 61.39 3b9x s THR 198 Cb -0.15 -3.70 0.49 0.00 1.34 0.00 0.00 72.50 70.49 3b9x s THR 198 CO -0.06 -0.82 1.80 -0.65 -0.54 0.00 0.00 174.62 174.36 3b9x h PRO 199 N -0.23 0.12 0.00 3.99 0.11 -1.96 -0.08 132.00 133.96 3b9x h PRO 199 Ca -0.45 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 3b9x h PRO 199 Cb 1.22 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3b9x h PRO 199 CO 0.62 0.08 -0.57 0.38 -0.21 0.00 0.00 178.00 178.30 3b9x h ASP 200 N 0.12 0.00 -0.15 -2.05 2.03 -1.98 -0.70 116.42 113.69 3b9x h ASP 200 Ca 0.56 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.65 3b9x h ASP 200 Cb 1.97 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 40.48 3b9x h ASP 200 CO -0.10 0.57 -0.70 0.58 -1.03 0.00 0.00 179.24 178.55 3b9x h VAL 201 N 0.00 1.28 -0.37 4.15 2.07 -1.38 -1.91 116.25 120.09 3b9x h VAL 201 Ca -0.01 -1.91 -0.02 0.00 0.82 0.00 0.00 66.70 65.58 3b9x h VAL 201 Cb 1.02 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.65 3b9x h VAL 201 CO 0.07 0.61 0.14 0.40 0.02 0.00 0.00 177.57 178.81 3b9x h ILE 202 N 0.56 1.20 -0.27 4.57 2.04 -1.36 -2.69 117.51 121.55 3b9x h ILE 202 Ca -0.03 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.16 3b9x h ILE 202 Cb 1.32 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3b9x h ILE 202 CO 0.15 0.22 0.00 0.00 0.00 0.00 0.00 178.15 178.52 3b9x h ALA 203 N 0.98 1.51 -0.60 1.87 0.00 -1.07 -0.67 119.26 121.27 3b9x h ALA 203 Ca 0.12 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3b9x h ALA 203 Cb 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3b9x h ALA 203 CO -0.01 0.36 -0.00 -0.09 0.00 0.00 0.00 179.25 179.50 3b9x h ARG 204 N 0.39 1.06 -0.01 0.00 2.43 -1.11 -2.23 114.38 114.91 3b9x h ARG 204 Ca 0.09 -0.33 -0.21 0.00 -0.81 0.00 0.00 59.98 58.72 3b9x h ARG 204 Cb 0.26 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3b9x h ARG 204 CO 0.01 1.03 -0.88 0.52 -1.51 0.00 0.00 179.97 179.14 3b9x h MET 205 N 0.96 0.33 -0.95 0.20 2.86 -1.04 -2.83 114.93 114.46 3b9x h MET 205 Ca 0.17 -0.34 0.08 0.00 -2.06 0.00 0.00 59.70 57.55 3b9x h MET 205 Cb 0.56 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.24 3b9x h MET 205 CO 0.03 1.02 0.60 0.93 1.06 0.00 0.00 176.91 180.55 3b9x h GLU 206 N 0.20 1.03 -0.51 1.72 5.08 -1.04 -1.50 114.58 119.55 3b9x h GLU 206 Ca -0.06 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 3b9x h GLU 206 Cb 1.49 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3b9x h GLU 206 CO 0.15 0.68 0.00 -0.09 -1.00 0.00 0.00 179.01 178.75 3b9x h ARG 207 N 1.06 0.91 -0.64 2.33 2.43 -1.31 -2.09 114.38 117.06 3b9x h ARG 207 Ca 0.43 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3b9x h ARG 207 Cb 0.24 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3b9x h ARG 207 CO -0.20 0.93 0.34 0.00 -1.51 0.00 0.00 179.97 179.53 3b9x h ALA 208 N 0.94 1.39 -0.44 2.80 0.00 -1.23 -3.48 119.26 119.24 3b9x h ALA 208 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3b9x h ALA 208 Cb 0.52 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3b9x h ALA 208 CO 0.03 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.18 3b9x n GLY 209 N -1.21 -0.17 1.30 0.00 0.00 -0.59 -4.95 105.19 99.57 3b9x n GLY 209 Ca 0.06 -1.02 0.08 0.00 0.00 0.00 0.00 46.02 45.14 3b9x n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b9x n GLY 210 N 0.00 -2.05 0.29 -0.02 0.00 -1.26 -2.69 105.19 99.45 3b9x n GLY 210 Ca 0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 46.02 44.65 3b9x n GLY 210 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3b9x h PRO 211 N 0.00 0.68 -0.04 1.61 0.11 -1.91 -2.18 132.00 130.28 3b9x h PRO 211 Ca 0.01 -0.14 -0.18 0.00 0.11 0.00 0.00 66.00 65.81 3b9x h PRO 211 Cb 0.53 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 3b9x h PRO 211 CO 0.00 0.65 -0.75 0.00 -0.21 0.00 0.00 178.00 177.69 3b9x h ALA 212 N 1.42 0.65 -0.33 -0.75 0.00 -1.80 -2.10 119.26 116.34 3b9x h ALA 212 Ca 0.14 -0.63 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 3b9x h ALA 212 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3b9x h ALA 212 CO 0.00 0.81 -0.31 0.78 0.00 0.00 0.00 179.25 180.54 3b9x h GLY 213 N 1.57 0.78 0.85 0.00 0.00 -1.38 -1.80 103.07 103.10 3b9x h GLY 213 Ca -0.03 -0.72 -0.10 0.00 0.00 0.00 0.00 47.33 46.48 3b9x h GLY 213 CO 0.12 0.65 -0.28 0.83 0.00 0.00 0.00 176.54 177.86 3b9x h GLU 214 N 0.61 0.52 -0.24 4.80 5.08 -1.36 -2.28 114.58 121.71 3b9x h GLU 214 Ca 0.07 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3b9x h GLU 214 Cb 0.82 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 3b9x h GLU 214 CO 0.07 0.91 0.13 1.25 -1.00 0.00 0.00 179.01 180.37 3b9x h LEU 215 N 0.18 0.21 -0.86 1.33 5.85 -1.45 -0.14 115.31 120.43 3b9x h LEU 215 Ca 0.02 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.88 3b9x h LEU 215 Cb 0.85 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.75 3b9x h LEU 215 CO 0.06 0.16 0.46 0.15 -0.34 0.00 0.00 178.44 178.93 3b9x h PHE 216 N 0.28 0.81 -0.06 1.25 3.57 -1.30 -0.78 116.94 120.69 3b9x h PHE 216 Ca 0.10 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3b9x h PHE 216 Cb 0.01 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.51 3b9x h PHE 216 CO -0.08 0.22 -0.01 1.03 -2.23 0.00 0.00 178.31 177.24 3b9x h SER 217 N 0.67 0.11 -0.64 0.41 0.87 -0.97 -2.39 113.55 111.62 3b9x h SER 217 Ca 0.46 -0.34 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 3b9x h SER 217 Cb 0.62 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 3b9x h SER 217 CO -0.34 0.42 0.33 0.44 -0.53 0.00 0.00 176.83 177.15 3b9x h ASP 218 N -0.20 0.82 0.06 6.23 3.32 -0.27 -1.07 116.42 125.31 3b9x h ASP 218 Ca 0.02 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 3b9x h ASP 218 Cb 0.37 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3b9x h ASP 218 CO 0.00 0.70 -0.03 0.40 -1.72 0.00 0.00 179.24 178.59 3b9x h ILE 219 N 0.88 1.21 0.00 0.35 2.04 -1.26 -3.30 117.51 117.42 3b9x h ILE 219 Ca 0.22 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3b9x h ILE 219 Cb 0.08 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 3b9x h ILE 219 CO -0.03 0.24 -0.08 0.23 0.00 0.00 0.00 178.15 178.51 3b9x n MET 220 N -4.92 0.19 0.15 2.37 2.81 -0.90 -2.67 117.12 114.15 3b9x n MET 220 Ca -0.08 0.14 0.01 0.00 -1.81 0.00 0.00 57.70 55.95 3b9x n MET 220 Cb 0.24 -1.70 0.22 0.00 -0.71 0.00 0.00 33.22 31.26 3b9x n MET 220 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3b9x h ASN 221 N 0.00 0.00 0.00 7.83 -0.26 -1.28 -3.28 115.58 118.59 3b9x h ASN 221 Ca 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3b9x h ASN 221 Cb 0.67 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.93 3b9x h ASN 221 CO 0.00 0.54 -0.00 0.15 -1.06 0.00 0.00 177.43 177.06 3b9x h PHE 222 N 0.00 -0.00 0.00 1.19 3.57 -1.59 -3.23 116.94 116.88 3b9x h PHE 222 Ca -0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3b9x h PHE 222 Cb 1.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.77 3b9x h PHE 222 CO 0.00 0.49 0.00 0.25 -2.23 0.00 0.00 178.31 176.82 3b9x n THR 223 N -4.86 0.61 -0.07 4.41 -2.24 -1.23 -3.04 114.28 107.86 3b9x n THR 223 Ca -0.08 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.50 3b9x n THR 223 Cb 0.25 -0.80 -0.12 0.00 -2.10 0.00 0.00 70.33 67.56 3b9x n THR 223 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3b9x h LEU 224 N 0.68 0.09 -0.63 3.22 5.85 -1.61 -3.08 115.31 119.83 3b9x h LEU 224 Ca 0.00 -0.71 -0.12 0.00 0.84 0.00 0.00 57.88 57.89 3b9x h LEU 224 Cb 0.78 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3b9x h LEU 224 CO 0.00 1.41 -0.18 0.11 -0.34 0.00 0.00 178.44 179.44 3b9x h LYS 225 N -0.83 0.89 0.00 1.25 1.57 -1.75 -3.33 116.57 114.38 3b9x h LYS 225 Ca -0.26 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.13 3b9x h LYS 225 Cb 1.35 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 3b9x h LYS 225 CO -0.10 1.00 -1.19 0.25 -0.57 0.00 0.00 179.45 178.84 3b9x n THR 226 N -4.12 0.72 0.41 -0.16 -2.24 -1.25 -2.98 114.28 104.66 3b9x n THR 226 Ca 0.01 -0.58 0.12 0.00 -2.27 0.00 0.00 64.05 61.32 3b9x n THR 226 Cb 0.42 -0.41 0.07 0.00 -2.10 0.00 0.00 70.33 68.32 3b9x n THR 226 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3b9x n GLN 227 N -2.70 0.40 -0.02 -0.78 1.13 -1.24 -4.02 117.38 110.15 3b9x n GLN 227 Ca -0.03 0.07 -0.13 0.00 -1.94 0.00 0.00 57.00 54.98 3b9x n GLN 227 Cb 0.63 -1.71 -0.10 0.00 0.11 0.00 0.00 30.24 29.17 3b9x n GLN 227 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 3b9x h PHE 228 N 0.00 -0.04 0.00 1.08 3.57 -1.66 -3.04 116.94 116.85 3b9x h PHE 228 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3b9x h PHE 228 Cb 0.83 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.58 3b9x h PHE 228 CO 0.00 0.62 0.00 0.93 -2.23 0.00 0.00 178.31 177.63 3b9x h GLU 229 N -0.78 0.00 0.04 1.11 5.08 -1.72 -1.60 114.58 116.72 3b9x h GLU 229 Ca -0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 3b9x h GLU 229 Cb 0.68 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 3b9x h GLU 229 CO 0.01 0.00 -2.20 0.09 -1.00 0.00 0.00 179.01 175.91 3b9x n ASN 230 N -2.86 2.02 0.00 1.42 5.03 -1.25 -4.80 115.26 114.81 3b9x n ASN 230 Ca -0.00 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.55 3b9x n ASN 230 Cb 0.20 -0.68 0.00 0.00 -1.02 0.00 0.00 39.78 38.28 3b9x n ASN 230 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3b9x n TYR 231 N -3.59 0.00 -3.15 3.10 4.02 -1.15 -5.05 117.16 111.35 3b9x n TYR 231 Ca -0.41 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.34 3b9x n TYR 231 Cb 0.97 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 40.34 3b9x n TYR 231 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3b9x n GLY 232 N 0.99 -0.11 3.86 2.72 0.00 -0.60 -5.04 105.19 107.01 3b9x n GLY 232 Ca 0.00 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 3b9x n GLY 232 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b9x s LEU 233 N -5.25 4.43 0.63 0.99 1.43 -1.24 -4.99 118.68 114.68 3b9x s LEU 233 Ca 0.22 0.71 0.20 0.00 -1.03 0.00 0.00 54.13 54.23 3b9x s LEU 233 Cb -0.10 -2.33 0.94 0.00 0.03 0.00 0.00 46.19 44.73 3b9x s LEU 233 CO 0.51 0.37 1.48 0.00 0.23 0.00 0.00 176.35 178.94 3b9x h ALA 234 N 4.82 2.15 -1.49 4.21 0.00 -1.94 -3.39 119.26 123.61 3b9x h ALA 234 Ca -0.53 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.40 3b9x h ALA 234 Cb 1.22 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3b9x h ALA 234 CO 0.60 -1.00 0.11 0.41 0.00 0.00 0.00 179.25 179.38 3b9x n GLY 235 N -1.50 0.86 3.63 0.00 0.00 -1.26 -4.70 105.19 102.22 3b9x n GLY 235 Ca 0.08 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 3b9x n GLY 235 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3b9x s GLY 236 N -2.52 1.15 0.70 -0.02 0.00 -1.16 -4.40 107.32 101.06 3b9x s GLY 236 Ca 0.04 0.61 -0.16 0.00 0.00 0.00 0.00 44.72 45.20 3b9x s GLY 236 CO 0.00 3.16 1.26 -4.14 0.00 0.00 0.00 173.10 173.39 3b9x s PRO 237 N 4.88 2.28 -0.89 2.90 0.02 -1.26 -1.04 135.00 141.88 3b9x s PRO 237 Ca 0.77 1.94 0.01 0.00 0.02 0.00 0.00 61.00 63.74 3b9x s PRO 237 Cb -0.28 -1.83 0.32 0.00 0.02 0.00 0.00 34.50 32.73 3b9x s PRO 237 CO 0.31 -1.77 1.48 1.33 -0.33 0.00 0.00 177.00 178.03 3b9x n VAL 238 N -2.35 4.99 -0.14 3.83 0.24 -1.07 -4.86 118.33 118.96 3b9x n VAL 238 Ca 0.15 -5.83 -0.08 0.00 -2.04 0.00 0.00 64.34 56.54 3b9x n VAL 238 Cb 0.49 -1.61 -0.02 0.00 -1.47 0.00 0.00 33.84 31.22 3b9x n VAL 238 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 3b9x h HIS 239 N 4.04 -1.07 -0.07 6.34 3.86 -1.89 -2.79 115.15 123.58 3b9x h HIS 239 Ca 0.37 0.07 -0.11 0.00 -1.16 0.00 0.00 60.37 59.54 3b9x h HIS 239 Cb 0.43 0.53 -0.01 0.00 1.06 0.00 0.00 27.41 29.42 3b9x h HIS 239 CO 1.13 -0.41 -0.44 -0.44 0.86 0.00 0.00 177.93 178.63 3b9x h ASP 240 N -0.26 0.16 0.22 2.45 3.32 -1.92 -2.50 116.42 117.89 3b9x h ASP 240 Ca 0.17 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 3b9x h ASP 240 Cb 0.56 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 3b9x h ASP 240 CO -0.59 0.59 -0.12 0.00 -1.72 0.00 0.00 179.24 177.40 3b9x h ALA 241 N 1.42 1.52 0.00 3.45 0.00 -1.68 -2.76 119.26 121.20 3b9x h ALA 241 Ca 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3b9x h ALA 241 Cb 0.83 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3b9x h ALA 241 CO 0.06 0.15 -0.04 1.79 0.00 0.00 0.00 179.25 181.22 3b9x h THR 242 N 0.00 0.78 -0.57 0.00 1.35 -1.51 -1.81 112.91 111.15 3b9x h THR 242 Ca -0.00 -0.14 -0.04 0.00 -0.55 0.00 0.00 66.41 65.68 3b9x h THR 242 Cb 0.26 1.08 -0.02 0.00 -1.73 0.00 0.00 68.15 67.74 3b9x h THR 242 CO 0.02 0.04 0.20 0.00 -0.25 0.00 0.00 175.52 175.52 3b9x h ILE 244 N 0.79 1.31 -0.79 0.00 1.08 -1.51 -2.65 117.51 115.73 3b9x h ILE 244 Ca 0.18 -1.14 0.17 0.00 -0.39 0.00 0.00 64.86 63.69 3b9x h ILE 244 Cb 0.25 1.71 -0.11 0.00 -3.07 0.00 0.00 36.82 35.60 3b9x h ILE 244 CO -0.01 0.34 0.29 1.23 -0.69 0.00 0.00 178.15 179.31 3b9x h GLY 245 N 0.03 1.22 1.53 5.37 0.00 -1.35 -0.76 103.07 109.11 3b9x h GLY 245 Ca 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3b9x h GLY 245 CO 0.03 -0.18 0.27 -1.82 0.00 0.00 0.00 176.54 174.83 3b9x h TYR 246 N 0.38 0.61 0.14 5.60 3.20 -0.74 -1.39 116.97 124.78 3b9x h TYR 246 Ca 0.46 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 62.02 3b9x h TYR 246 Cb 0.78 -0.20 0.03 0.00 1.54 0.00 0.00 36.73 38.87 3b9x h TYR 246 CO -0.19 0.42 -1.28 -0.07 -1.64 0.00 0.00 178.16 175.40 3b9x h LEU 247 N 0.64 0.84 -0.62 2.82 3.38 -0.90 -2.53 115.31 118.94 3b9x h LEU 247 Ca 0.17 -0.80 0.02 0.00 0.09 0.00 0.00 57.88 57.36 3b9x h LEU 247 Cb -0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 3b9x h LEU 247 CO -0.03 1.61 0.39 0.40 0.09 0.00 0.00 178.44 180.90 3b9x h ILE 248 N 0.24 1.11 -0.86 1.22 2.04 -1.03 -3.42 117.51 116.81 3b9x h ILE 248 Ca -0.20 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.43 3b9x h ILE 248 Cb 1.96 0.25 -0.20 0.00 -0.74 0.00 0.00 36.82 38.09 3b9x h ILE 248 CO 0.24 0.14 -0.34 0.21 0.00 0.00 0.00 178.15 178.41 3b9x s ASN 249 N -5.71 -1.38 0.48 1.72 2.47 -0.54 -5.03 114.94 106.96 3b9x s ASN 249 Ca -0.13 -0.13 0.32 0.00 0.42 0.00 0.00 52.86 53.34 3b9x s ASN 249 Cb 0.14 1.82 1.68 0.00 -1.45 0.00 0.00 41.25 43.44 3b9x s ASN 249 CO 0.76 -0.22 1.99 1.55 -3.72 0.00 0.00 177.10 177.46 3b9x h PRO 250 N 7.45 0.00 0.00 0.43 0.13 -1.66 -2.77 132.00 135.59 3b9x h PRO 250 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3b9x h PRO 250 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3b9x h PRO 250 CO 0.09 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.42 3b9x h ASP 251 N 0.00 0.00 0.70 1.44 3.32 -1.93 -2.48 116.42 117.47 3b9x h ASP 251 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3b9x h ASP 251 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3b9x h ASP 251 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3b9x n GLY 252 N 0.24 -1.27 3.09 2.75 0.00 -1.04 -4.74 105.19 104.22 3b9x n GLY 252 Ca 0.02 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3b9x n GLY 252 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3b9x s ILE 253 N -2.80 1.68 -0.15 -0.61 1.01 -0.93 -0.85 121.20 118.55 3b9x s ILE 253 Ca 0.18 -0.75 -0.22 0.00 0.00 0.00 0.00 60.65 59.86 3b9x s ILE 253 Cb 0.17 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 3b9x s ILE 253 CO 0.43 0.48 0.68 -0.75 0.00 0.00 0.00 174.94 175.78 3b9x s LYS 254 N 0.97 4.30 0.24 2.79 2.20 0.12 -4.97 119.74 125.39 3b9x s LYS 254 Ca -0.06 0.76 0.11 0.00 -0.36 0.00 0.00 55.97 56.42 3b9x s LYS 254 Cb -0.15 -3.53 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 3b9x s LYS 254 CO -0.02 -0.14 -0.15 0.95 -0.36 0.00 0.00 175.35 175.63 3b9x s THR 255 N 1.53 2.78 -0.04 3.43 -4.23 -1.26 -0.85 115.64 117.00 3b9x s THR 255 Ca 0.33 -2.08 0.03 0.00 -1.18 0.00 0.00 61.69 58.80 3b9x s THR 255 Cb -0.16 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.25 3b9x s THR 255 CO 0.13 -0.27 -0.14 -1.58 -0.54 0.00 0.00 174.62 172.22 3b9x s GLN 256 N -3.21 1.57 0.10 3.99 0.74 -0.52 -4.90 119.66 117.43 3b9x s GLN 256 Ca 0.27 -0.50 -0.30 0.00 0.05 0.00 0.00 55.36 54.88 3b9x s GLN 256 Cb -0.07 -1.36 -0.06 0.00 1.10 0.00 0.00 33.01 32.62 3b9x s GLN 256 CO 0.15 0.17 1.11 -1.21 -0.55 0.00 0.00 175.29 174.97 3b9x s GLU 257 N 0.18 4.53 0.02 1.67 2.02 -1.26 -0.66 118.70 125.20 3b9x s GLU 257 Ca -0.06 1.68 -0.04 0.00 0.02 0.00 0.00 54.97 56.57 3b9x s GLU 257 Cb -0.11 -3.34 -0.01 0.00 0.10 0.00 0.00 34.13 30.76 3b9x s GLU 257 CO 0.02 -0.07 0.06 -1.64 0.02 0.00 0.00 175.26 173.65 3b9x s MET 258 N 0.45 0.45 -0.19 1.61 -1.94 0.59 -4.95 119.30 115.33 3b9x s MET 258 Ca 0.53 -0.60 -0.29 0.00 -1.71 0.00 0.00 55.69 53.62 3b9x s MET 258 Cb -0.28 0.18 -0.01 0.00 2.01 0.00 0.00 34.83 36.73 3b9x s MET 258 CO 0.31 -0.10 1.26 -0.47 -0.01 0.00 0.00 175.02 176.01 3b9x s TYR 259 N -1.82 2.84 -0.10 -0.03 5.04 -1.26 -1.01 117.35 121.00 3b9x s TYR 259 Ca -0.12 1.01 0.02 0.00 -2.44 0.00 0.00 57.07 55.54 3b9x s TYR 259 Cb -0.06 -3.55 -0.01 0.00 0.35 0.00 0.00 41.96 38.68 3b9x s TYR 259 CO -0.01 -1.65 -0.18 0.08 -1.34 0.00 0.00 175.55 172.45 3b9x s VAL 260 N 3.63 2.60 -0.04 3.14 1.01 -1.26 -1.22 120.40 128.26 3b9x s VAL 260 Ca 0.54 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.73 3b9x s VAL 260 Cb -0.21 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 3b9x s VAL 260 CO 0.15 0.55 -0.15 -0.70 0.00 0.00 0.00 175.10 174.95 3b9x s GLU 261 N 0.14 1.53 -0.21 2.72 2.12 -0.63 -4.95 118.70 119.43 3b9x s GLU 261 Ca -0.10 -0.53 -0.17 0.00 0.36 0.00 0.00 54.97 54.53 3b9x s GLU 261 Cb -0.16 -1.37 -0.04 0.00 0.26 0.00 0.00 34.13 32.83 3b9x s GLU 261 CO 0.06 0.22 0.45 0.08 -0.54 0.00 0.00 175.26 175.53 3b9x s VAL 262 N 0.03 5.15 -0.40 3.70 1.01 -1.26 0.53 120.40 129.15 3b9x s VAL 262 Ca -0.02 0.79 -0.27 0.00 0.00 0.00 0.00 61.98 62.48 3b9x s VAL 262 Cb -0.10 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.53 3b9x s VAL 262 CO 0.01 0.20 0.98 -0.62 0.00 0.00 0.00 175.10 175.68 3b9x s ASP 263 N 1.19 6.66 -0.00 3.32 -1.08 -0.25 -4.89 116.67 121.63 3b9x s ASP 263 Ca 0.20 0.52 0.19 0.00 -0.52 0.00 0.00 52.55 52.94 3b9x s ASP 263 Cb -0.15 -2.49 0.55 0.00 -1.46 0.00 0.00 42.92 39.38 3b9x s ASP 263 CO 0.09 -0.98 1.46 1.33 0.52 0.00 0.00 175.17 177.59 3b9x n VAL 264 N 6.22 1.00 -1.83 1.11 0.24 -1.26 -0.34 118.33 123.48 3b9x n VAL 264 Ca 0.08 -1.00 -0.42 0.00 -2.04 0.00 0.00 64.34 60.96 3b9x n VAL 264 Cb 0.48 0.50 -0.03 0.00 -1.47 0.00 0.00 33.84 33.32 3b9x n VAL 264 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3b9x s ASN 265 N -1.00 6.51 0.61 -1.34 0.02 -1.26 -4.93 114.94 113.55 3b9x s ASN 265 Ca 0.42 2.65 -0.19 0.00 -1.02 0.00 0.00 52.86 54.72 3b9x s ASN 265 Cb 0.22 -2.57 -0.04 0.00 0.02 0.00 0.00 41.25 38.88 3b9x s ASN 265 CO 0.28 -0.93 1.09 -1.54 0.02 0.00 0.00 177.10 176.03 3b9x n SER 266 N 5.22 1.31 0.00 -1.22 3.41 -1.26 -3.24 113.62 117.84 3b9x n SER 266 Ca 0.16 0.83 0.00 0.00 -0.26 0.00 0.00 58.87 59.60 3b9x n SER 266 Cb 0.39 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 3b9x n SER 266 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3b9x n GLY 267 N 1.14 0.11 0.00 5.00 0.00 -1.26 -4.82 105.19 105.36 3b9x n GLY 267 Ca 0.14 -2.30 0.07 0.00 0.00 0.00 0.00 46.02 43.94 3b9x n GLY 267 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3b9x n PRO 268 N 0.00 0.30 -0.17 1.61 -0.04 -1.26 -2.52 135.00 132.92 3b9x n PRO 268 Ca 0.00 0.10 0.05 0.00 -0.04 0.00 0.00 63.50 63.60 3b9x n PRO 268 Cb 0.00 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.02 3b9x n PRO 268 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b9x n TYR 270 N -0.73 2.23 -1.02 0.00 9.36 -1.05 -1.47 117.16 124.48 3b9x n TYR 270 Ca 0.07 0.18 -0.01 0.00 3.32 0.00 0.00 57.90 61.47 3b9x n TYR 270 Cb 0.58 -2.58 -0.00 0.00 -0.63 0.00 0.00 39.34 36.71 3b9x n TYR 270 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3b9x n GLY 271 N 3.89 0.46 3.72 2.98 0.00 0.54 -4.69 105.19 112.09 3b9x n GLY 271 Ca 0.20 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3b9x n GLY 271 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3b9x s ARG 272 N -0.72 4.43 -0.44 1.61 3.52 -0.54 -4.20 118.95 122.62 3b9x s ARG 272 Ca 0.00 1.85 -0.26 0.00 -0.13 0.00 0.00 55.73 57.19 3b9x s ARG 272 Cb 0.00 -3.30 0.02 0.00 -1.56 0.00 0.00 34.95 30.12 3b9x s ARG 272 CO 0.00 -0.23 0.96 0.95 -0.81 0.00 0.00 175.30 176.17 3b9x s THR 273 N 0.70 4.46 -0.49 4.11 -4.23 -1.26 -1.09 115.64 117.84 3b9x s THR 273 Ca 0.58 0.93 -0.23 0.00 -1.18 0.00 0.00 61.69 61.78 3b9x s THR 273 Cb -0.32 -4.44 0.04 0.00 1.34 0.00 0.00 72.50 69.12 3b9x s THR 273 CO 0.32 -0.79 0.83 -0.69 -0.54 0.00 0.00 174.62 173.75 3b9x s VAL 274 N 3.79 4.56 -0.24 2.29 1.01 0.19 -4.63 120.40 127.37 3b9x s VAL 274 Ca 0.39 0.29 -0.09 0.00 0.00 0.00 0.00 61.98 62.57 3b9x s VAL 274 Cb -0.10 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 3b9x s VAL 274 CO 0.25 -0.88 0.12 0.00 0.00 0.00 0.00 175.10 174.59 3b9x n ASP 276 N 4.42 4.87 -0.26 0.00 2.03 -0.36 -4.83 116.55 122.42 3b9x n ASP 276 Ca -0.15 -2.96 0.06 0.00 0.52 0.00 0.00 54.79 52.25 3b9x n ASP 276 Cb 0.52 -1.62 0.20 0.00 -0.72 0.00 0.00 41.12 39.49 3b9x n ASP 276 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3b9x h GLU 277 N 6.79 0.39 -0.03 -0.67 5.08 -1.94 -2.91 114.58 121.28 3b9x h GLU 277 Ca 0.42 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3b9x h GLU 277 Cb 0.78 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3b9x h GLU 277 CO 1.50 0.26 -0.04 1.28 -1.00 0.00 0.00 179.01 181.00 3b9x n LEU 278 N -5.04 2.86 -1.28 1.33 4.77 -1.26 -4.97 117.00 113.40 3b9x n LEU 278 Ca 0.15 -0.98 -0.12 0.00 -0.03 0.00 0.00 56.01 55.03 3b9x n LEU 278 Cb 0.45 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 3b9x n LEU 278 CO 0.16 0.48 -0.15 0.61 -1.33 0.00 0.00 177.39 177.17 3b9x n GLY 279 N 1.32 0.30 0.28 -0.72 0.00 -1.10 -4.95 105.19 100.33 3b9x n GLY 279 Ca 0.13 -0.39 0.17 0.00 0.00 0.00 0.00 46.02 45.94 3b9x n GLY 279 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3b9x h VAL 280 N 0.00 0.15 0.00 1.61 -1.51 -1.93 -3.02 116.25 111.54 3b9x h VAL 280 Ca -0.28 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 3b9x h VAL 280 Cb 1.10 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 3b9x h VAL 280 CO 0.36 0.04 -0.19 0.18 -1.23 0.00 0.00 177.57 176.73 3b9x n LEU 281 N -3.21 0.62 -1.97 4.19 4.77 -1.26 -4.94 117.00 115.21 3b9x n LEU 281 Ca -0.01 0.43 -0.18 0.00 -0.03 0.00 0.00 56.01 56.22 3b9x n LEU 281 Cb 0.25 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 3b9x n LEU 281 CO 0.27 -0.10 -0.22 0.61 -1.33 0.00 0.00 177.39 176.62 3b9x n GLY 282 N 1.36 0.01 3.90 -0.72 0.00 -1.14 -5.02 105.19 103.58 3b9x n GLY 282 Ca 0.05 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 3b9x n GLY 282 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b9x s LYS 283 N -4.67 3.41 0.40 1.61 1.02 -1.26 -5.08 119.74 115.17 3b9x s LYS 283 Ca 0.00 -0.34 -0.26 0.00 0.02 0.00 0.00 55.97 55.39 3b9x s LYS 283 Cb 0.00 -3.08 -0.09 0.00 -0.52 0.00 0.00 37.83 34.15 3b9x s LYS 283 CO 0.00 0.67 1.24 -1.25 -0.92 0.00 0.00 175.35 175.09 3b9x s PRO 284 N -1.95 4.02 0.47 -1.68 0.04 -1.26 -4.67 135.00 129.97 3b9x s PRO 284 Ca 0.27 2.02 -0.24 0.00 0.04 0.00 0.00 61.00 63.09 3b9x s PRO 284 Cb -0.13 -2.74 -0.07 0.00 0.04 0.00 0.00 34.50 31.60 3b9x s PRO 284 CO 0.19 -0.40 1.35 0.00 0.04 0.00 0.00 177.00 178.18 3b9x s ALA 285 N -1.31 3.08 0.00 8.56 0.00 -1.26 -4.49 121.76 126.34 3b9x s ALA 285 Ca 0.56 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.85 3b9x s ALA 285 Cb -0.35 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.23 3b9x s ALA 285 CO 0.45 -1.12 0.26 0.27 0.00 0.00 0.00 175.76 175.61 3b9x n ASN 286 N -0.42 0.51 -3.82 0.00 0.23 -0.18 -4.84 115.26 106.74 3b9x n ASN 286 Ca 0.07 -0.77 -0.13 0.00 -0.53 0.00 0.00 54.58 53.22 3b9x n ASN 286 Cb 0.44 0.34 -0.13 0.00 -2.08 0.00 0.00 39.78 38.35 3b9x n ASN 286 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3b9x s THR 287 N -0.34 -0.01 -0.42 5.53 2.01 -0.80 -3.95 115.64 117.67 3b9x s THR 287 Ca 0.00 0.03 -0.22 0.00 0.31 0.00 0.00 61.69 61.81 3b9x s THR 287 Cb 0.00 -0.18 0.02 0.00 0.01 0.00 0.00 72.50 72.35 3b9x s THR 287 CO 0.00 0.01 0.73 -0.54 -0.69 0.00 0.00 174.62 174.13 3b9x s LYS 288 N 0.23 3.48 -0.21 4.92 1.02 -0.53 -0.30 119.74 128.36 3b9x s LYS 288 Ca -0.01 -0.07 -0.10 0.00 0.02 0.00 0.00 55.97 55.80 3b9x s LYS 288 Cb -0.02 -3.90 -0.05 0.00 -0.52 0.00 0.00 37.83 33.34 3b9x s LYS 288 CO -0.01 -0.98 0.15 0.08 -0.92 0.00 0.00 175.35 173.68 3b9x s VAL 289 N 3.05 5.39 0.08 3.17 1.01 0.17 -0.61 120.40 132.65 3b9x s VAL 289 Ca 0.27 0.22 -0.31 0.00 0.00 0.00 0.00 61.98 62.17 3b9x s VAL 289 Cb -0.13 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.67 3b9x s VAL 289 CO 0.19 0.41 1.75 -0.83 0.00 0.00 0.00 175.10 176.62 3b9x s GLY 290 N 0.57 1.47 -0.07 4.51 0.00 0.16 -1.43 107.32 112.53 3b9x s GLY 290 Ca 0.09 1.29 -0.11 0.00 0.00 0.00 0.00 44.72 45.98 3b9x s GLY 290 CO 0.00 3.05 -0.21 1.39 0.00 0.00 0.00 173.10 177.34 3b9x n ILE 291 N 4.87 1.39 -4.12 0.90 2.08 -0.03 -4.07 119.36 120.38 3b9x n ILE 291 Ca 0.17 0.25 -0.15 0.00 0.56 0.00 0.00 62.75 63.58 3b9x n ILE 291 Cb 0.40 -2.04 -0.13 0.00 -0.75 0.00 0.00 39.64 37.12 3b9x n ILE 291 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3b9x s THR 292 N -2.54 0.58 -0.04 1.39 -4.23 -1.14 -4.29 115.64 105.36 3b9x s THR 292 Ca -0.17 -0.82 0.07 0.00 -1.18 0.00 0.00 61.69 59.58 3b9x s THR 292 Cb 0.02 -0.59 -0.01 0.00 1.34 0.00 0.00 72.50 73.26 3b9x s THR 292 CO 0.26 -0.19 -0.24 -0.51 -0.54 0.00 0.00 174.62 173.40 3b9x s ILE 293 N -0.95 1.93 -0.72 2.99 2.07 -1.26 0.12 121.20 125.38 3b9x s ILE 293 Ca -0.05 -1.02 -0.26 0.00 -1.41 0.00 0.00 60.65 57.91 3b9x s ILE 293 Cb -0.07 -1.62 0.01 0.00 0.13 0.00 0.00 42.46 40.90 3b9x s ILE 293 CO 0.00 0.54 1.56 -0.62 -1.91 0.00 0.00 174.94 174.51 3b9x s ASP 294 N -0.32 5.78 0.50 4.50 -1.08 -0.03 -4.90 116.67 121.13 3b9x s ASP 294 Ca 0.02 -0.24 0.24 0.00 -0.52 0.00 0.00 52.55 52.06 3b9x s ASP 294 Cb -0.12 -2.55 1.35 0.00 -1.46 0.00 0.00 42.92 40.15 3b9x s ASP 294 CO 0.02 -2.08 2.05 0.71 0.52 0.00 0.00 175.17 176.39 3b9x h THR 295 N 6.49 0.70 -0.07 1.71 1.35 -1.93 -1.56 112.91 119.59 3b9x h THR 295 Ca -0.21 -0.55 -0.03 0.00 -0.55 0.00 0.00 66.41 65.07 3b9x h THR 295 Cb 1.09 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 68.85 3b9x h THR 295 CO 1.26 0.13 -0.06 0.44 -0.25 0.00 0.00 175.52 177.05 3b9x h ASP 296 N 0.00 0.18 -0.51 5.36 3.32 -1.99 -0.99 116.42 121.79 3b9x h ASP 296 Ca -0.00 -0.46 0.06 0.00 0.02 0.00 0.00 57.03 56.64 3b9x h ASP 296 Cb 0.33 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 3b9x h ASP 296 CO 0.02 0.61 0.23 -0.25 -1.72 0.00 0.00 179.24 178.12 3b9x h TRP 297 N -0.24 0.41 -0.04 4.55 7.01 -1.91 -2.56 115.95 123.18 3b9x h TRP 297 Ca 0.01 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 3b9x h TRP 297 Cb 0.55 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.50 3b9x h TRP 297 CO 0.08 0.18 -0.02 0.35 -2.79 0.00 0.00 178.44 176.24 3b9x h PHE 298 N 0.44 0.10 -0.03 2.65 3.57 -1.21 -0.89 116.94 121.56 3b9x h PHE 298 Ca 0.23 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 3b9x h PHE 298 Cb 0.19 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3b9x h PHE 298 CO -0.13 0.50 -0.21 -1.49 -2.23 0.00 0.00 178.31 174.76 3b9x h TRP 299 N -0.33 0.05 -0.73 0.41 -0.00 -1.24 -0.35 115.95 113.75 3b9x h TRP 299 Ca 0.01 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 58.85 3b9x h TRP 299 Cb 0.48 -0.02 -0.03 0.00 -0.00 0.00 0.00 29.16 29.59 3b9x h TRP 299 CO 0.08 0.26 0.29 0.78 -0.00 0.00 0.00 178.44 179.84 3b9x h GLY 300 N 0.70 1.18 0.98 1.49 0.00 -1.25 -1.55 103.07 104.62 3b9x h GLY 300 Ca 0.01 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 3b9x h GLY 300 CO 0.03 0.61 0.19 -2.00 0.00 0.00 0.00 176.54 175.37 3b9x h LEU 301 N 1.05 0.75 -0.13 3.11 5.85 -0.19 -1.63 115.31 124.13 3b9x h LEU 301 Ca 0.24 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3b9x h LEU 301 Cb 0.22 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3b9x h LEU 301 CO -0.02 0.74 -0.04 0.58 -0.34 0.00 0.00 178.44 179.36 3b9x h VAL 302 N 0.73 0.85 -0.44 1.05 2.07 -0.89 -2.16 116.25 117.46 3b9x h VAL 302 Ca 0.18 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.74 3b9x h VAL 302 Cb 0.23 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3b9x h VAL 302 CO -0.01 0.00 0.20 -0.08 0.02 0.00 0.00 177.57 177.70 3b9x h GLU 303 N -0.01 0.40 -0.85 1.57 4.81 -1.23 -0.79 114.58 118.48 3b9x h GLU 303 Ca 0.07 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.41 3b9x h GLU 303 Cb 0.11 -0.09 -0.09 0.00 0.63 0.00 0.00 28.75 29.32 3b9x h GLU 303 CO -0.14 0.26 0.45 1.49 -0.73 0.00 0.00 179.01 180.34 3b9x h GLU 304 N 0.41 0.66 -0.31 1.92 4.81 -1.01 -1.09 114.58 119.97 3b9x h GLU 304 Ca 0.19 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.21 3b9x h GLU 304 Cb 0.12 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 3b9x h GLU 304 CO -0.15 0.43 -0.49 0.00 -0.73 0.00 0.00 179.01 178.08 3b9x h VAL 306 N 0.67 1.03 -0.05 0.00 2.07 -0.27 -2.68 116.25 117.01 3b9x h VAL 306 Ca 0.03 -0.19 -0.19 0.00 0.82 0.00 0.00 66.70 67.17 3b9x h VAL 306 Cb 1.08 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3b9x h VAL 306 CO 0.11 0.10 -0.78 0.03 0.02 0.00 0.00 177.57 177.05 3b9x h ARG 307 N 0.56 0.36 0.00 1.57 3.08 -1.15 -2.98 114.38 115.81 3b9x h ARG 307 Ca 0.22 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3b9x h ARG 307 Cb 0.18 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3b9x h ARG 307 CO -0.06 0.98 0.04 0.41 -1.07 0.00 0.00 179.97 180.27 3b9x n GLY 308 N 0.66 -0.37 0.35 0.04 0.00 -1.01 -1.83 105.19 103.03 3b9x n GLY 308 Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.04 3b9x n GLY 308 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3b9x n TYR 309 N -1.36 0.00 -2.08 1.61 4.01 -1.13 -4.92 117.16 113.29 3b9x n TYR 309 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 3b9x n TYR 309 Cb 0.04 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 3b9x n TYR 309 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3b9x s ILE 310 N -1.60 3.55 -2.00 -0.72 1.01 -0.76 -4.37 121.20 116.32 3b9x s ILE 310 Ca 0.12 0.83 0.22 0.00 0.00 0.00 0.00 60.65 61.82 3b9x s ILE 310 Cb 0.11 -3.53 0.63 0.00 0.01 0.00 0.00 42.46 39.68 3b9x s ILE 310 CO 0.32 -0.04 1.70 0.29 0.00 0.00 0.00 174.94 177.21