#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6x s ALA 3 N 0.00 2.93 0.92 3.55 0.00 -1.26 -4.85 121.76 123.05 1r6x s ALA 3 Ca 0.00 0.80 -0.10 0.00 0.00 0.00 0.00 51.96 52.65 1r6x s ALA 3 Cb 0.00 -3.33 0.15 0.00 0.00 0.00 0.00 23.12 19.94 1r6x s ALA 3 CO 0.00 -0.51 1.12 -2.14 0.00 0.00 0.00 175.76 174.23 1r6x s PRO 4 N -2.87 1.01 -0.00 0.00 0.02 -1.26 -4.81 135.00 127.09 1r6x s PRO 4 Ca 0.65 1.37 -0.30 0.00 0.02 0.00 0.00 61.00 62.73 1r6x s PRO 4 Cb -0.24 -1.74 -0.07 0.00 0.02 0.00 0.00 34.50 32.48 1r6x s PRO 4 CO 0.29 -2.57 1.65 -1.58 -0.33 0.00 0.00 177.00 174.45 1r6x s HIS 5 N -2.69 2.17 0.00 6.54 2.46 -1.26 -0.48 115.29 122.02 1r6x s HIS 5 Ca 0.66 0.26 0.00 0.00 0.47 0.00 0.00 55.06 56.44 1r6x s HIS 5 Cb -0.22 -3.93 0.00 0.00 -0.13 0.00 0.00 32.58 28.31 1r6x s HIS 5 CO 0.58 -3.82 0.00 0.41 -2.47 0.00 0.00 174.74 169.44 1r6x n GLY 6 N 4.06 0.60 1.70 1.59 0.00 -1.26 -2.90 105.19 108.98 1r6x n GLY 6 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1r6x n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r6x n GLY 7 N -2.00 3.16 3.19 -0.02 0.00 0.36 -5.01 105.19 104.88 1r6x n GLY 7 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1r6x n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r6x s ILE 8 N -2.04 1.86 -0.48 -0.61 1.01 -1.26 -4.42 121.20 115.26 1r6x s ILE 8 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 60.65 59.45 1r6x s ILE 8 Cb 0.00 -1.61 0.03 0.00 0.01 0.00 0.00 42.46 40.89 1r6x s ILE 8 CO 0.00 0.52 1.12 -0.22 0.00 0.00 0.00 174.94 176.35 1r6x s LEU 9 N 0.32 3.66 -1.52 2.97 2.96 -1.26 -4.76 118.68 121.06 1r6x s LEU 9 Ca -0.16 0.39 -0.11 0.00 -0.22 0.00 0.00 54.13 54.04 1r6x s LEU 9 Cb -0.17 -3.48 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 1r6x s LEU 9 CO 0.07 -1.25 2.58 0.00 -1.32 0.00 0.00 176.35 176.43 1r6x n GLN 10 N 7.81 3.44 -2.63 1.98 1.13 -1.26 -4.84 117.38 123.01 1r6x n GLN 10 Ca 0.11 -2.52 -0.42 0.00 -1.94 0.00 0.00 57.00 52.23 1r6x n GLN 10 Cb 0.49 -2.98 -0.03 0.00 0.11 0.00 0.00 30.24 27.83 1r6x n GLN 10 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1r6x s ASP 11 N 2.36 6.49 0.44 1.08 -1.08 -1.26 -2.47 116.67 122.24 1r6x s ASP 11 Ca 0.58 -1.47 0.23 0.00 -0.52 0.00 0.00 52.55 51.37 1r6x s ASP 11 Cb 0.16 -2.54 0.99 0.00 -1.46 0.00 0.00 42.92 40.08 1r6x s ASP 11 CO -0.07 -1.46 1.87 -0.07 0.52 0.00 0.00 175.17 175.96 1r6x h LEU 12 N 12.38 0.00 -0.17 -1.34 3.38 -1.18 -0.86 115.31 127.53 1r6x h LEU 12 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1r6x h LEU 12 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1r6x h LEU 12 CO 1.36 0.24 0.07 0.40 0.09 0.00 0.00 178.44 180.60 1r6x h ILE 13 N 0.00 1.14 -0.45 1.22 1.08 -1.84 -0.45 117.51 118.21 1r6x h ILE 13 Ca -0.00 -0.42 -0.11 0.00 -0.39 0.00 0.00 64.86 63.93 1r6x h ILE 13 Cb 0.67 1.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 1r6x h ILE 13 CO 0.03 0.14 -0.14 0.00 -0.69 0.00 0.00 178.15 177.48 1r6x h ALA 14 N 0.93 0.63 -0.63 1.87 0.00 -1.79 -1.99 119.26 118.28 1r6x h ALA 14 Ca 0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1r6x h ALA 14 Cb 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1r6x h ALA 14 CO -0.01 0.55 0.35 -0.09 0.00 0.00 0.00 179.25 180.06 1r6x h ARG 15 N 0.74 0.87 -0.70 0.00 2.43 -0.99 -3.09 114.38 113.65 1r6x h ARG 15 Ca 0.11 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1r6x h ARG 15 Cb 0.70 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1r6x h ARG 15 CO 0.05 0.66 0.00 -0.25 -1.51 0.00 0.00 179.97 178.92 1r6x n ASP 16 N -4.56 4.14 -0.27 -3.80 8.00 -0.19 -4.60 116.55 115.26 1r6x n ASP 16 Ca 0.05 -2.15 0.07 0.00 0.71 0.00 0.00 54.79 53.47 1r6x n ASP 16 Cb 0.08 -0.51 0.22 0.00 -0.02 0.00 0.00 41.12 40.89 1r6x n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r6x h ALA 17 N 4.26 1.16 0.00 2.24 0.00 -1.27 -1.30 119.26 124.35 1r6x h ALA 17 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1r6x h ALA 17 Cb 1.12 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1r6x h ALA 17 CO 0.08 -0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.37 1r6x n LEU 18 N -5.01 0.00 -0.23 0.00 4.77 -1.26 -2.77 117.00 112.49 1r6x n LEU 18 Ca 0.16 0.12 0.06 0.00 -0.03 0.00 0.00 56.01 56.32 1r6x n LEU 18 Cb 0.48 -0.12 0.09 0.00 -2.33 0.00 0.00 43.42 41.54 1r6x n LEU 18 CO 0.17 -0.05 0.45 2.29 -1.33 0.00 0.00 177.39 178.92 1r6x n LYS 19 N -1.12 0.81 -0.11 3.23 2.85 -0.50 -4.84 118.16 118.48 1r6x n LYS 19 Ca 0.12 -2.00 -0.07 0.00 -1.05 0.00 0.00 58.31 55.31 1r6x n LYS 19 Cb 0.10 -1.13 0.01 0.00 -0.65 0.00 0.00 35.03 33.36 1r6x n LYS 19 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1r6x h LYS 20 N 0.01 0.36 -0.85 -1.58 3.64 -1.38 -1.05 116.57 115.72 1r6x h LYS 20 Ca -0.00 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1r6x h LYS 20 Cb 1.15 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 1r6x h LYS 20 CO 0.00 0.24 0.56 -0.91 -2.27 0.00 0.00 179.45 177.07 1r6x h ASN 21 N 0.37 0.96 -0.36 4.20 2.35 -1.88 0.12 115.58 121.34 1r6x h ASN 21 Ca 0.15 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 1r6x h ASN 21 Cb 0.05 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1r6x h ASN 21 CO -0.10 0.69 0.03 -0.08 -1.65 0.00 0.00 177.43 176.32 1r6x h GLU 22 N 1.13 0.61 -0.39 0.81 4.81 -1.84 -1.55 114.58 118.16 1r6x h GLU 22 Ca 0.31 -0.18 -0.13 0.00 -0.13 0.00 0.00 59.36 59.24 1r6x h GLU 22 Cb -0.11 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1r6x h GLU 22 CO -0.08 0.70 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.57 1r6x h LEU 23 N 0.43 0.83 -0.30 1.64 3.38 -0.90 -2.31 115.31 118.08 1r6x h LEU 23 Ca 0.11 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1r6x h LEU 23 Cb 0.40 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1r6x h LEU 23 CO 0.01 1.04 0.11 0.25 0.09 0.00 0.00 178.44 179.95 1r6x h LEU 24 N 0.69 0.42 -0.49 1.67 5.85 -0.68 -0.97 115.31 121.80 1r6x h LEU 24 Ca 0.09 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1r6x h LEU 24 Cb 0.79 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 1r6x h LEU 24 CO 0.07 0.49 0.24 -1.28 -0.34 0.00 0.00 178.44 177.61 1r6x h SER 25 N 0.34 0.33 -0.48 1.25 0.87 -1.18 -2.24 113.55 112.44 1r6x h SER 25 Ca 0.10 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1r6x h SER 25 Cb 0.20 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1r6x h SER 25 CO -0.01 0.23 0.20 -0.08 -0.53 0.00 0.00 176.83 176.64 1r6x h GLU 26 N 0.46 0.71 0.00 2.24 4.81 -1.20 -2.58 114.58 119.02 1r6x h GLU 26 Ca 0.22 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1r6x h GLU 26 Cb 0.14 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1r6x h GLU 26 CO -0.16 0.63 -0.02 0.00 -0.73 0.00 0.00 179.01 178.73 1r6x h ALA 27 N 1.04 1.75 -0.06 2.92 0.00 -0.77 -1.73 119.26 122.41 1r6x h ALA 27 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1r6x h ALA 27 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1r6x h ALA 27 CO -0.01 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.30 1r6x n GLN 28 N -4.20 1.95 -2.13 0.00 6.02 -0.88 -4.91 117.38 113.23 1r6x n GLN 28 Ca -0.03 -1.39 -0.35 0.00 -0.01 0.00 0.00 57.00 55.22 1r6x n GLN 28 Cb 0.10 -1.47 0.02 0.00 1.02 0.00 0.00 30.24 29.91 1r6x n GLN 28 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1r6x s SER 29 N -1.92 5.51 0.37 1.08 1.04 -0.65 -4.94 113.70 114.19 1r6x s SER 29 Ca 0.34 2.19 0.26 0.00 0.48 0.00 0.00 55.95 59.23 1r6x s SER 29 Cb 0.20 -2.58 0.82 0.00 0.10 0.00 0.00 66.02 64.57 1r6x s SER 29 CO 0.31 -1.36 1.76 0.77 0.98 0.00 0.00 173.24 175.70 1r6x h SER 30 N 0.95 0.00 0.22 7.02 4.64 -1.92 -3.26 113.55 121.19 1r6x h SER 30 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1r6x h SER 30 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1r6x h SER 30 CO 0.56 0.00 -0.57 -0.90 -0.87 0.00 0.00 176.83 175.05 1r6x n ASP 31 N -2.71 1.02 -4.78 4.97 5.75 -1.26 -4.93 116.55 114.61 1r6x n ASP 31 Ca 0.03 -0.82 -0.39 0.00 -0.01 0.00 0.00 54.79 53.61 1r6x n ASP 31 Cb 0.40 0.46 -0.06 0.00 -1.03 0.00 0.00 41.12 40.89 1r6x n ASP 31 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1r6x s ILE 32 N -2.79 4.40 0.24 2.12 2.07 -1.23 -5.02 121.20 120.99 1r6x s ILE 32 Ca 0.15 1.63 -0.30 0.00 -1.41 0.00 0.00 60.65 60.72 1r6x s ILE 32 Cb 0.18 -4.08 -0.09 0.00 0.13 0.00 0.00 42.46 38.59 1r6x s ILE 32 CO 0.68 0.46 1.31 -0.22 -1.91 0.00 0.00 174.94 175.26 1r6x s LEU 33 N -1.31 4.42 -0.05 8.50 2.96 -1.26 -4.87 118.68 127.08 1r6x s LEU 33 Ca 0.37 2.49 0.05 0.00 -0.22 0.00 0.00 54.13 56.83 1r6x s LEU 33 Cb -0.22 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 42.83 1r6x s LEU 33 CO 0.25 -0.53 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.85 1r6x s VAL 34 N -0.26 2.43 -0.11 1.68 1.01 -1.26 -0.51 120.40 123.38 1r6x s VAL 34 Ca 0.54 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1r6x s VAL 34 Cb -0.38 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.12 1r6x s VAL 34 CO 0.42 0.58 -0.10 0.86 0.00 0.00 0.00 175.10 176.86 1r6x s TRP 35 N -0.43 1.61 -0.33 5.22 -0.11 -0.19 -4.95 118.94 119.76 1r6x s TRP 35 Ca 0.04 -0.78 -0.25 0.00 1.22 0.00 0.00 56.10 56.34 1r6x s TRP 35 Cb -0.12 -1.27 0.01 0.00 -1.50 0.00 0.00 33.47 30.59 1r6x s TRP 35 CO 0.01 -0.49 0.85 1.21 -4.62 0.00 0.00 176.95 173.92 1r6x s ASN 36 N 1.42 6.68 0.35 5.86 3.04 -1.26 -1.08 114.94 129.95 1r6x s ASN 36 Ca 0.00 0.65 -0.28 0.00 0.04 0.00 0.00 52.86 53.27 1r6x s ASN 36 Cb -0.13 -2.43 -0.11 0.00 -1.54 0.00 0.00 41.25 37.04 1r6x s ASN 36 CO -0.06 -0.71 1.42 -0.76 -3.04 0.00 0.00 177.10 173.95 1r6x s LEU 37 N 3.15 4.36 0.69 3.21 1.43 0.18 -4.93 118.68 126.77 1r6x s LEU 37 Ca 0.35 2.89 -0.10 0.00 -1.03 0.00 0.00 54.13 56.24 1r6x s LEU 37 Cb -0.13 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.45 1r6x s LEU 37 CO 0.14 -0.74 1.06 0.42 0.23 0.00 0.00 176.35 177.46 1r6x s THR 38 N -1.04 3.24 0.22 5.49 -4.23 -1.26 -4.69 115.64 113.37 1r6x s THR 38 Ca 0.52 0.25 -0.08 0.00 -1.18 0.00 0.00 61.69 61.20 1r6x s THR 38 Cb -0.44 -3.37 0.18 0.00 1.34 0.00 0.00 72.50 70.21 1r6x s THR 38 CO 0.58 -0.46 1.72 -0.65 -0.54 0.00 0.00 174.62 175.26 1r6x h PRO 39 N -0.59 0.33 -0.46 3.99 0.11 -2.00 0.15 132.00 133.54 1r6x h PRO 39 Ca -0.45 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 1r6x h PRO 39 Cb 1.27 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1r6x h PRO 39 CO 0.63 0.22 -0.17 -0.09 -0.21 0.00 0.00 178.00 178.38 1r6x h ARG 40 N 0.34 0.88 -0.20 1.05 2.43 -2.00 -2.68 114.38 114.21 1r6x h ARG 40 Ca 0.35 -0.34 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1r6x h ARG 40 Cb 0.52 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1r6x h ARG 40 CO -0.40 0.98 -0.10 1.96 -1.51 0.00 0.00 179.97 180.91 1r6x h GLN 41 N 0.78 0.31 -0.53 0.20 4.20 -1.68 -1.01 115.11 117.38 1r6x h GLN 41 Ca 0.11 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 1r6x h GLN 41 Cb 0.70 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1r6x h GLN 41 CO 0.05 0.42 -0.08 1.25 -0.67 0.00 0.00 178.83 179.80 1r6x h LEU 42 N 0.30 0.96 -0.23 1.46 5.85 -0.68 0.17 115.31 123.13 1r6x h LEU 42 Ca 0.06 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 1r6x h LEU 42 Cb 0.37 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1r6x h LEU 42 CO 0.02 1.06 -0.07 0.00 -0.34 0.00 0.00 178.44 179.11 1r6x h ASP 44 N 0.19 0.56 0.28 0.00 3.32 -1.00 -2.87 116.42 116.89 1r6x h ASP 44 Ca 0.06 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 1r6x h ASP 44 Cb 0.54 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1r6x h ASP 44 CO 0.03 0.55 -0.31 -0.29 -1.72 0.00 0.00 179.24 177.49 1r6x h ILE 45 N 0.53 1.24 -0.59 0.35 2.10 -0.67 -1.44 117.51 119.03 1r6x h ILE 45 Ca 0.14 -1.13 -0.04 0.00 1.08 0.00 0.00 64.86 64.91 1r6x h ILE 45 Cb 0.15 1.57 -0.03 0.00 -1.09 0.00 0.00 36.82 37.42 1r6x h ILE 45 CO -0.02 0.33 0.22 -0.08 -1.08 0.00 0.00 178.15 177.52 1r6x h GLU 46 N 0.05 0.90 0.00 2.19 4.81 -1.23 -0.05 114.58 121.25 1r6x h GLU 46 Ca 0.01 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 59.00 1r6x h GLU 46 Cb 0.58 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1r6x h GLU 46 CO 0.04 0.78 -0.32 -0.07 -0.73 0.00 0.00 179.01 178.71 1r6x h LEU 47 N 0.83 0.00 0.01 1.64 3.38 -1.23 -1.23 115.31 118.70 1r6x h LEU 47 Ca 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1r6x h LEU 47 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1r6x h LEU 47 CO -0.01 0.32 -0.01 0.40 0.09 0.00 0.00 178.44 179.23 1r6x h ILE 48 N 0.00 1.52 -0.19 1.22 2.04 -0.92 0.14 117.51 121.32 1r6x h ILE 48 Ca -0.00 -1.69 -0.02 0.00 1.00 0.00 0.00 64.86 64.15 1r6x h ILE 48 Cb 0.89 2.65 -0.01 0.00 -0.74 0.00 0.00 36.82 39.61 1r6x h ILE 48 CO 0.04 0.43 0.05 -0.07 0.00 0.00 0.00 178.15 178.60 1r6x h LEU 49 N -0.76 0.24 -1.72 1.44 3.38 -0.92 -2.52 115.31 114.45 1r6x h LEU 49 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1r6x h LEU 49 Cb 0.72 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1r6x h LEU 49 CO 0.00 0.25 0.00 -0.46 0.09 0.00 0.00 178.44 178.32 1r6x n ASN 50 N -4.43 2.57 0.00 -0.43 2.04 -0.47 -0.73 115.26 113.81 1r6x n ASN 50 Ca -0.00 -1.87 0.00 0.00 -0.44 0.00 0.00 54.58 52.27 1r6x n ASN 50 Cb 0.14 -0.19 0.00 0.00 -2.53 0.00 0.00 39.78 37.20 1r6x n ASN 50 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1r6x n GLY 51 N 1.31 0.82 0.26 4.83 0.00 -0.95 -4.24 105.19 107.23 1r6x n GLY 51 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 1r6x n GLY 51 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1r6x h GLY 52 N 0.00 0.00 -3.29 -0.02 0.00 -1.03 -2.01 103.07 96.71 1r6x h GLY 52 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1r6x h GLY 52 CO 0.00 0.00 0.21 0.69 0.00 0.00 0.00 176.54 177.44 1r6x n PHE 53 N -4.15 2.17 -1.62 5.60 0.99 -0.22 -4.39 117.46 115.83 1r6x n PHE 53 Ca -0.03 -1.20 -0.42 0.00 -0.00 0.00 0.00 57.45 55.80 1r6x n PHE 53 Cb 0.16 -0.63 0.00 0.00 -1.00 0.00 0.00 39.48 38.01 1r6x n PHE 53 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1r6x n SER 54 N -0.28 1.54 0.00 4.37 7.64 -0.76 -0.53 113.62 125.60 1r6x n SER 54 Ca 0.38 1.09 0.10 0.00 1.01 0.00 0.00 58.87 61.45 1r6x n SER 54 Cb 1.30 -1.37 0.62 0.00 -1.01 0.00 0.00 64.21 63.76 1r6x n SER 54 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1r6x n PRO 55 N 0.29 0.91 -1.74 1.43 -0.04 -1.14 -4.51 135.00 130.20 1r6x n PRO 55 Ca 0.09 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 1r6x n PRO 55 Cb 0.37 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 1r6x n PRO 55 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1r6x n LEU 56 N -0.86 4.24 -0.15 1.53 4.32 0.31 -4.89 117.00 121.50 1r6x n LEU 56 Ca 0.16 1.21 0.03 0.00 -0.02 0.00 0.00 56.01 57.38 1r6x n LEU 56 Cb 0.07 -1.56 0.04 0.00 -1.62 0.00 0.00 43.42 40.35 1r6x n LEU 56 CO 0.12 -0.08 0.41 0.35 -1.22 0.00 0.00 177.39 176.96 1r6x n THR 57 N 0.72 0.80 -3.11 -5.08 -2.24 -1.26 -4.84 114.28 99.28 1r6x n THR 57 Ca 0.04 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1r6x n THR 57 Cb 0.37 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1r6x n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r6x n GLY 58 N -0.55 -1.11 3.82 3.38 0.00 -1.26 -1.33 105.19 108.15 1r6x n GLY 58 Ca 0.05 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 1r6x n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r6x s PHE 59 N -3.00 3.78 0.22 1.61 0.40 -0.57 -4.96 117.98 115.46 1r6x s PHE 59 Ca 0.00 1.20 -0.32 0.00 -0.60 0.00 0.00 56.93 57.21 1r6x s PHE 59 Cb 0.00 -2.45 -0.12 0.00 0.51 0.00 0.00 43.02 40.97 1r6x s PHE 59 CO 0.00 0.59 1.71 -0.51 0.70 0.00 0.00 175.22 177.71 1r6x s LEU 60 N -1.16 4.37 0.83 -0.37 1.43 -0.62 -1.47 118.68 121.69 1r6x s LEU 60 Ca 0.28 2.87 -0.12 0.00 -1.03 0.00 0.00 54.13 56.14 1r6x s LEU 60 Cb -0.19 -3.60 0.09 0.00 0.03 0.00 0.00 46.19 42.52 1r6x s LEU 60 CO 0.18 -0.97 1.18 0.54 0.23 0.00 0.00 176.35 177.51 1r6x s ASN 61 N 1.12 4.30 0.43 2.29 2.20 -1.26 -3.99 114.94 120.03 1r6x s ASN 61 Ca 0.74 0.79 0.10 0.00 -0.94 0.00 0.00 52.86 53.55 1r6x s ASN 61 Cb -0.50 -1.28 0.95 0.00 -2.00 0.00 0.00 41.25 38.42 1r6x s ASN 61 CO 0.33 -2.04 2.04 -0.08 -2.94 0.00 0.00 177.10 174.42 1r6x h GLU 62 N -1.15 0.30 0.02 3.55 4.81 -1.95 0.30 114.58 120.47 1r6x h GLU 62 Ca -0.47 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1r6x h GLU 62 Cb 1.33 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1r6x h GLU 62 CO 0.65 0.27 -0.01 -0.97 -0.73 0.00 0.00 179.01 178.21 1r6x h ASN 63 N 0.30 -0.02 -0.30 1.04 -0.00 -2.00 0.37 115.58 114.97 1r6x h ASN 63 Ca 0.08 -0.10 -0.17 0.00 -0.00 0.00 0.00 56.30 56.11 1r6x h ASN 63 Cb 0.09 0.01 -0.00 0.00 -0.00 0.00 0.00 38.32 38.41 1r6x h ASN 63 CO -0.01 0.09 -0.48 0.44 -0.00 0.00 0.00 177.43 177.48 1r6x h ASP 64 N -0.13 0.94 -0.43 1.15 3.32 -1.87 -3.06 116.42 116.35 1r6x h ASP 64 Ca -0.00 -0.51 0.04 0.00 0.02 0.00 0.00 57.03 56.58 1r6x h ASP 64 Cb 0.12 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 1r6x h ASP 64 CO 0.00 1.27 0.19 0.22 -1.72 0.00 0.00 179.24 179.21 1r6x h TYR 65 N 0.64 0.34 -0.78 4.55 3.20 -0.82 -0.91 116.97 123.19 1r6x h TYR 65 Ca 0.03 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1r6x h TYR 65 Cb 1.08 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 39.22 1r6x h TYR 65 CO 0.07 0.15 0.52 1.03 -1.64 0.00 0.00 178.16 178.30 1r6x h SER 66 N 0.38 0.90 -0.56 -2.11 0.87 -0.94 -0.55 113.55 111.54 1r6x h SER 66 Ca 0.19 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.64 1r6x h SER 66 Cb 0.14 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 1r6x h SER 66 CO -0.16 0.65 0.01 0.28 -0.53 0.00 0.00 176.83 177.07 1r6x h SER 67 N 1.06 0.99 -0.28 6.23 0.02 -1.34 -2.36 113.55 117.87 1r6x h SER 67 Ca 0.29 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1r6x h SER 67 Cb -0.12 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.14 1r6x h SER 67 CO -0.06 1.04 0.05 0.58 -1.14 0.00 0.00 176.83 177.30 1r6x h VAL 68 N 0.93 1.23 -0.11 2.27 2.07 0.23 0.20 116.25 123.06 1r6x h VAL 68 Ca 0.17 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.93 1r6x h VAL 68 Cb 0.53 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1r6x h VAL 68 CO 0.03 0.25 -0.01 0.58 0.02 0.00 0.00 177.57 178.44 1r6x h VAL 69 N 0.28 0.92 0.12 2.57 2.07 -0.99 -1.48 116.25 119.74 1r6x h VAL 69 Ca 0.09 -0.01 -0.36 0.00 0.82 0.00 0.00 66.70 67.24 1r6x h VAL 69 Cb 0.33 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1r6x h VAL 69 CO 0.00 0.01 -1.94 0.41 0.02 0.00 0.00 177.57 176.07 1r6x n THR 70 N -5.12 1.77 0.40 2.57 -1.04 -0.90 -4.35 114.28 107.60 1r6x n THR 70 Ca -0.05 -0.61 0.08 0.00 -2.04 0.00 0.00 64.05 61.43 1r6x n THR 70 Cb 0.07 -1.76 0.10 0.00 -1.82 0.00 0.00 70.33 66.92 1r6x n THR 70 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1r6x n ASP 71 N -3.56 2.53 -2.74 8.00 10.43 0.65 -4.98 116.55 126.87 1r6x n ASP 71 Ca -0.32 -1.73 -0.21 0.00 2.57 0.00 0.00 54.79 55.10 1r6x n ASP 71 Cb 1.02 -0.08 0.01 0.00 1.84 0.00 0.00 41.12 43.91 1r6x n ASP 71 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1r6x n SER 72 N 0.86 -5.70 -3.83 -2.24 7.64 -0.56 -4.94 113.62 104.85 1r6x n SER 72 Ca 0.11 -0.14 -0.11 0.00 1.01 0.00 0.00 58.87 59.74 1r6x n SER 72 Cb 0.41 -4.69 -0.08 0.00 -1.01 0.00 0.00 64.21 58.84 1r6x n SER 72 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1r6x s ARG 73 N -5.40 0.67 0.86 1.43 0.52 -1.11 -1.30 118.95 114.63 1r6x s ARG 73 Ca 0.16 -0.55 -0.12 0.00 -0.52 0.00 0.00 55.73 54.70 1r6x s ARG 73 Cb -0.07 0.28 0.11 0.00 0.52 0.00 0.00 34.95 35.79 1r6x s ARG 73 CO 0.20 -0.19 1.10 -0.51 0.02 0.00 0.00 175.30 175.92 1r6x s LEU 74 N -1.93 2.32 0.55 2.53 1.43 0.35 -1.26 118.68 122.68 1r6x s LEU 74 Ca -0.07 1.29 0.25 0.00 -1.03 0.00 0.00 54.13 54.57 1r6x s LEU 74 Cb -0.02 -3.77 1.45 0.00 0.03 0.00 0.00 46.19 43.88 1r6x s LEU 74 CO -0.02 -2.36 2.04 0.00 0.23 0.00 0.00 176.35 176.24 1r6x h ALA 75 N -1.36 2.21 -0.05 4.21 0.00 -1.80 0.49 119.26 122.97 1r6x h ALA 75 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1r6x h ALA 75 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1r6x h ALA 75 CO 0.58 -0.45 0.00 -0.40 0.00 0.00 0.00 179.25 178.98 1r6x n ASP 76 N -4.21 0.55 0.00 0.00 5.75 -1.26 -4.89 116.55 112.49 1r6x n ASP 76 Ca 0.05 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.36 1r6x n ASP 76 Cb 0.45 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1r6x n ASP 76 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r6x n GLY 77 N 0.92 0.54 3.72 6.12 0.00 0.16 -5.06 105.19 111.60 1r6x n GLY 77 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1r6x n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r6x s THR 78 N -2.24 3.63 0.11 2.61 2.01 -1.25 -4.71 115.64 115.79 1r6x s THR 78 Ca 0.00 1.19 -0.34 0.00 0.31 0.00 0.00 61.69 62.85 1r6x s THR 78 Cb 0.00 -3.76 -0.13 0.00 0.01 0.00 0.00 72.50 68.62 1r6x s THR 78 CO 0.00 0.10 1.65 -0.11 -0.69 0.00 0.00 174.62 175.57 1r6x n LEU 79 N 3.75 3.19 -3.26 4.42 7.94 -1.26 -0.50 117.00 131.29 1r6x n LEU 79 Ca 0.10 1.06 0.03 0.00 -1.11 0.00 0.00 56.01 56.09 1r6x n LEU 79 Cb 0.44 -1.42 -0.02 0.00 0.53 0.00 0.00 43.42 42.95 1r6x n LEU 79 CO 0.57 -0.23 0.38 0.86 -1.11 0.00 0.00 177.39 177.87 1r6x s TRP 80 N 1.63 -1.08 -0.10 1.96 -0.11 -0.42 -4.81 118.94 116.00 1r6x s TRP 80 Ca 0.82 1.35 0.22 0.00 1.22 0.00 0.00 56.10 59.71 1r6x s TRP 80 Cb -0.68 0.45 -0.23 0.00 -1.50 0.00 0.00 33.47 31.52 1r6x s TRP 80 CO 0.41 -0.58 0.64 0.25 -4.62 0.00 0.00 176.95 173.05 1r6x n THR 81 N 5.37 0.29 -4.03 5.86 -2.24 -1.26 -2.74 114.28 115.53 1r6x n THR 81 Ca -0.06 -0.54 -0.34 0.00 -2.27 0.00 0.00 64.05 60.85 1r6x n THR 81 Cb 0.52 -0.15 -0.15 0.00 -2.10 0.00 0.00 70.33 68.45 1r6x n THR 81 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1r6x s ILE 82 N -3.41 2.55 0.13 2.28 -1.09 -1.26 -4.88 121.20 115.52 1r6x s ILE 82 Ca -0.06 -0.90 -0.31 0.00 -2.23 0.00 0.00 60.65 57.15 1r6x s ILE 82 Cb 0.12 -2.18 -0.09 0.00 -1.58 0.00 0.00 42.46 38.74 1r6x s ILE 82 CO 0.87 0.40 1.48 -2.16 -1.23 0.00 0.00 174.94 174.30 1r6x s PRO 83 N 1.33 4.27 -0.35 2.79 0.04 -1.26 -4.98 135.00 136.83 1r6x s PRO 83 Ca 0.03 2.20 -0.01 0.00 0.04 0.00 0.00 61.00 63.26 1r6x s PRO 83 Cb -0.15 -3.25 0.09 0.00 0.04 0.00 0.00 34.50 31.23 1r6x s PRO 83 CO -0.08 -0.53 0.09 0.42 0.04 0.00 0.00 177.00 176.94 1r6x s ILE 84 N 1.30 2.97 0.18 0.56 -1.09 -1.26 -5.09 121.20 118.77 1r6x s ILE 84 Ca 0.67 -1.85 0.06 0.00 -2.23 0.00 0.00 60.65 57.30 1r6x s ILE 84 Cb -0.40 -2.94 -0.05 0.00 -1.58 0.00 0.00 42.46 37.50 1r6x s ILE 84 CO 0.31 -0.45 -0.12 0.42 -1.23 0.00 0.00 174.94 173.87 1r6x s THR 85 N 1.14 1.45 -0.57 2.92 -4.23 -1.26 -1.59 115.64 113.50 1r6x s THR 85 Ca 0.03 -2.13 -0.17 0.00 -1.18 0.00 0.00 61.69 58.24 1r6x s THR 85 Cb -0.21 -1.97 0.12 0.00 1.34 0.00 0.00 72.50 71.78 1r6x s THR 85 CO -0.04 -0.65 0.58 -0.22 -0.54 0.00 0.00 174.62 173.75 1r6x s LEU 86 N -3.25 5.95 -0.15 4.79 2.96 -1.26 -4.98 118.68 122.74 1r6x s LEU 86 Ca 0.20 -1.71 -0.22 0.00 -0.22 0.00 0.00 54.13 52.19 1r6x s LEU 86 Cb 0.01 -2.24 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1r6x s LEU 86 CO 0.04 -0.94 0.65 1.51 -1.32 0.00 0.00 176.35 176.30 1r6x s ASP 87 N 3.57 6.80 0.27 3.68 1.47 -1.26 -1.04 116.67 130.16 1r6x s ASP 87 Ca 0.06 0.97 0.02 0.00 1.18 0.00 0.00 52.55 54.79 1r6x s ASP 87 Cb -0.27 -2.37 -0.05 0.00 -0.34 0.00 0.00 42.92 39.88 1r6x s ASP 87 CO 0.04 -0.21 0.06 0.68 0.68 0.00 0.00 175.17 176.42 1r6x s VAL 88 N 1.47 0.82 0.63 2.11 -7.23 0.13 -4.26 120.40 114.07 1r6x s VAL 88 Ca 0.32 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.39 1r6x s VAL 88 Cb -0.16 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.17 1r6x s VAL 88 CO 0.13 -0.09 1.01 1.51 -0.31 0.00 0.00 175.10 177.34 1r6x s ASP 89 N -3.35 5.81 0.20 4.85 -4.77 -1.26 -1.76 116.67 116.39 1r6x s ASP 89 Ca 0.35 1.12 -0.11 0.00 -3.30 0.00 0.00 52.55 50.61 1r6x s ASP 89 Cb 0.08 -2.09 0.24 0.00 -1.09 0.00 0.00 42.92 40.06 1r6x s ASP 89 CO 0.13 -1.06 1.71 -0.08 0.70 0.00 0.00 175.17 176.56 1r6x h GLU 90 N -0.37 0.23 -0.68 2.11 4.81 -1.95 -1.73 114.58 117.00 1r6x h GLU 90 Ca -0.45 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1r6x h GLU 90 Cb 1.23 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 1r6x h GLU 90 CO 0.62 0.15 0.45 0.00 -0.73 0.00 0.00 179.01 179.51 1r6x h ALA 91 N 1.44 0.86 -0.59 2.92 0.00 -2.00 -1.60 119.26 120.30 1r6x h ALA 91 Ca 0.28 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1r6x h ALA 91 Cb 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1r6x h ALA 91 CO -0.38 0.29 0.12 0.35 0.00 0.00 0.00 179.25 179.64 1r6x h PHE 92 N 0.93 1.01 -0.27 0.00 3.57 -1.85 -2.60 116.94 117.73 1r6x h PHE 92 Ca 0.25 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 1r6x h PHE 92 Cb -0.11 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.34 1r6x h PHE 92 CO -0.03 0.87 0.15 0.00 -2.23 0.00 0.00 178.31 177.07 1r6x h ALA 93 N 1.02 1.75 0.00 2.41 0.00 -0.82 -2.17 119.26 121.46 1r6x h ALA 93 Ca 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1r6x h ALA 93 Cb 0.38 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1r6x h ALA 93 CO 0.01 0.21 -0.14 -0.91 0.00 0.00 0.00 179.25 178.42 1r6x h ASN 94 N 0.37 0.00 0.17 0.00 4.21 -0.90 -2.31 115.58 117.12 1r6x h ASN 94 Ca 0.10 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.61 1r6x h ASN 94 Cb 0.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 1r6x h ASN 94 CO -0.02 0.14 -0.08 0.00 -1.29 0.00 0.00 177.43 176.18 1r6x n GLN 95 N -3.78 1.05 -4.11 0.81 6.02 -0.82 -4.89 117.38 111.66 1r6x n GLN 95 Ca -0.02 -0.44 -0.33 0.00 -0.01 0.00 0.00 57.00 56.20 1r6x n GLN 95 Cb 0.24 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 29.94 1r6x n GLN 95 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1r6x s ILE 96 N -2.26 4.75 0.10 5.09 1.01 -0.87 -5.10 121.20 123.92 1r6x s ILE 96 Ca 0.34 -0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.59 1r6x s ILE 96 Cb 0.21 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.51 1r6x s ILE 96 CO 0.42 0.40 0.15 -1.59 0.00 0.00 0.00 174.94 174.32 1r6x s LYS 97 N -1.60 0.86 0.36 2.79 0.00 -1.26 -4.96 119.74 115.92 1r6x s LYS 97 Ca 0.21 -1.11 -0.27 0.00 0.00 0.00 0.00 55.97 54.81 1r6x s LYS 97 Cb -0.12 0.31 -0.12 0.00 0.00 0.00 0.00 37.83 37.90 1r6x s LYS 97 CO 0.12 -0.26 1.20 -2.30 0.00 0.00 0.00 175.35 174.10 1r6x n PRO 98 N -0.06 1.85 -0.22 1.78 -0.02 -1.26 -1.68 135.00 135.39 1r6x n PRO 98 Ca -0.12 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1r6x n PRO 98 Cb 0.62 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1r6x n PRO 98 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1r6x n ASP 99 N 0.72 0.00 -4.76 2.55 8.00 0.90 -4.98 116.55 118.98 1r6x n ASP 99 Ca 0.07 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.15 1r6x n ASP 99 Cb 0.36 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 1r6x n ASP 99 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1r6x s THR 100 N -3.08 2.60 -0.19 -3.53 2.01 -0.68 -4.64 115.64 108.13 1r6x s THR 100 Ca 0.00 0.54 -0.09 0.00 0.31 0.00 0.00 61.69 62.45 1r6x s THR 100 Cb 0.00 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1r6x s THR 100 CO 0.00 0.10 0.09 -0.13 -0.69 0.00 0.00 174.62 174.00 1r6x s ARG 101 N -0.95 4.05 -0.07 4.92 0.52 -1.26 -0.93 118.95 125.23 1r6x s ARG 101 Ca 0.56 -0.28 0.05 0.00 -0.52 0.00 0.00 55.73 55.54 1r6x s ARG 101 Cb -0.42 -3.30 -0.01 0.00 0.52 0.00 0.00 34.95 31.74 1r6x s ARG 101 CO 0.48 0.30 -0.23 0.42 0.02 0.00 0.00 175.30 176.29 1r6x s ILE 102 N 0.31 1.97 -0.19 1.52 1.01 0.50 -4.08 121.20 122.24 1r6x s ILE 102 Ca 0.06 -1.00 -0.22 0.00 0.00 0.00 0.00 60.65 59.49 1r6x s ILE 102 Cb -0.12 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 1r6x s ILE 102 CO -0.01 0.54 0.68 0.00 0.00 0.00 0.00 174.94 176.16 1r6x s ALA 103 N 0.06 3.54 -0.27 9.38 0.00 0.34 -0.44 121.76 134.36 1r6x s ALA 103 Ca -0.09 -0.20 -0.11 0.00 0.00 0.00 0.00 51.96 51.56 1r6x s ALA 103 Cb -0.15 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 1r6x s ALA 103 CO 0.05 -0.59 0.19 -0.51 0.00 0.00 0.00 175.76 174.90 1r6x s LEU 104 N 2.00 4.04 0.26 0.00 1.43 0.13 -1.03 118.68 125.51 1r6x s LEU 104 Ca 0.31 0.02 0.09 0.00 -1.03 0.00 0.00 54.13 53.52 1r6x s LEU 104 Cb -0.16 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 1r6x s LEU 104 CO 0.11 -0.03 0.02 -0.36 0.23 0.00 0.00 176.35 176.32 1r6x s PHE 105 N 1.64 2.76 -0.11 0.29 0.40 -0.24 -0.74 117.98 121.98 1r6x s PHE 105 Ca 0.07 -0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 1r6x s PHE 105 Cb -0.16 -1.23 -0.02 0.00 0.51 0.00 0.00 43.02 42.13 1r6x s PHE 105 CO 0.10 0.60 -0.14 -1.14 0.70 0.00 0.00 175.22 175.34 1r6x s GLN 106 N -3.67 3.16 -1.23 0.44 0.74 0.49 -0.65 119.66 118.95 1r6x s GLN 106 Ca 0.31 -0.70 -0.02 0.00 0.05 0.00 0.00 55.36 55.00 1r6x s GLN 106 Cb -0.07 -2.55 0.01 0.00 1.10 0.00 0.00 33.01 31.50 1r6x s GLN 106 CO 0.21 0.31 0.16 -0.25 -0.55 0.00 0.00 175.29 175.16 1r6x n ASP 107 N 3.24 -4.31 -1.80 6.67 8.00 -1.26 -1.18 116.55 125.90 1r6x n ASP 107 Ca -0.18 0.01 -0.14 0.00 0.71 0.00 0.00 54.79 55.19 1r6x n ASP 107 Cb 0.53 -3.61 -0.04 0.00 -0.02 0.00 0.00 41.12 37.98 1r6x n ASP 107 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1r6x n ASP 108 N -1.99 -4.03 0.00 -2.24 4.64 -1.26 -4.66 116.55 107.01 1r6x n ASP 108 Ca -0.13 0.28 0.00 0.00 -1.38 0.00 0.00 54.79 53.56 1r6x n ASP 108 Cb 0.61 -3.59 0.00 0.00 -1.04 0.00 0.00 41.12 37.10 1r6x n ASP 108 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1r6x n GLU 109 N -2.30 0.52 -3.59 -0.67 -0.58 -0.52 -5.08 120.64 108.41 1r6x n GLU 109 Ca -0.15 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.19 1r6x n GLU 109 Cb 0.53 -0.37 -0.11 0.00 -0.57 0.00 0.00 31.44 30.92 1r6x n GLU 109 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1r6x s ILE 110 N -0.88 5.00 -0.04 -3.67 1.01 -0.33 -4.92 121.20 117.37 1r6x s ILE 110 Ca 0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.12 1r6x s ILE 110 Cb 0.00 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 1r6x s ILE 110 CO 0.00 0.07 1.53 -2.84 0.00 0.00 0.00 174.94 173.70 1r6x s PRO 111 N 1.68 4.22 -0.24 2.79 0.02 -1.26 -0.38 135.00 141.83 1r6x s PRO 111 Ca 0.06 2.06 -0.04 0.00 0.02 0.00 0.00 61.00 63.10 1r6x s PRO 111 Cb -0.17 -3.80 -0.13 0.00 0.02 0.00 0.00 34.50 30.41 1r6x s PRO 111 CO 0.09 -0.74 -0.25 -0.89 -0.33 0.00 0.00 177.00 174.87 1r6x n ILE 112 N 5.17 1.34 -3.78 2.83 2.08 0.08 -4.29 119.36 122.79 1r6x n ILE 112 Ca 0.15 -0.44 -0.04 0.00 0.56 0.00 0.00 62.75 62.98 1r6x n ILE 112 Cb 0.43 -1.53 -0.01 0.00 -0.75 0.00 0.00 39.64 37.77 1r6x n ILE 112 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1r6x s ALA 113 N -2.46 -1.54 -0.14 -1.39 0.00 -1.13 -1.41 121.76 113.70 1r6x s ALA 113 Ca -0.33 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.65 1r6x s ALA 113 Cb 0.10 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.92 1r6x s ALA 113 CO 0.49 -1.04 -0.20 0.42 0.00 0.00 0.00 175.76 175.43 1r6x s ILE 114 N -3.38 2.28 -0.18 0.00 -1.09 -0.31 -0.69 121.20 117.83 1r6x s ILE 114 Ca 0.12 -0.91 -0.08 0.00 -2.23 0.00 0.00 60.65 57.56 1r6x s ILE 114 Cb -0.03 -1.92 -0.04 0.00 -1.58 0.00 0.00 42.46 38.89 1r6x s ILE 114 CO 0.04 0.54 0.07 -0.22 -1.23 0.00 0.00 174.94 174.14 1r6x s LEU 115 N 0.74 3.87 -0.36 2.97 2.96 0.41 -1.30 118.68 127.98 1r6x s LEU 115 Ca -0.08 0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.82 1r6x s LEU 115 Cb -0.16 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.56 1r6x s LEU 115 CO 0.00 0.19 0.22 -0.89 -1.32 0.00 0.00 176.35 174.55 1r6x s THR 116 N 0.29 4.90 0.20 3.68 2.01 -0.19 -0.37 115.64 126.16 1r6x s THR 116 Ca 0.04 -0.56 -0.31 0.00 0.31 0.00 0.00 61.69 61.18 1r6x s THR 116 Cb -0.12 -3.63 -0.09 0.00 0.01 0.00 0.00 72.50 68.67 1r6x s THR 116 CO -0.00 -0.13 1.42 -0.69 -0.69 0.00 0.00 174.62 174.54 1r6x s VAL 117 N 1.64 2.90 -0.19 3.82 1.01 -0.11 -2.13 120.40 127.35 1r6x s VAL 117 Ca 0.04 0.71 0.02 0.00 0.00 0.00 0.00 61.98 62.75 1r6x s VAL 117 Cb -0.18 -3.46 -0.13 0.00 0.00 0.00 0.00 36.38 32.61 1r6x s VAL 117 CO 0.08 0.09 -0.16 0.00 0.00 0.00 0.00 175.10 175.11 1r6x n GLN 118 N 3.01 0.52 -3.68 2.72 6.02 0.67 -0.07 117.38 126.57 1r6x n GLN 118 Ca 0.09 0.11 -0.09 0.00 -0.01 0.00 0.00 57.00 57.10 1r6x n GLN 118 Cb 0.41 -1.38 -0.02 0.00 1.02 0.00 0.00 30.24 30.26 1r6x n GLN 118 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1r6x s ASP 119 N -5.83 -0.38 -0.05 1.08 -4.77 -1.05 -4.66 116.67 101.02 1r6x s ASP 119 Ca -0.25 -0.35 -0.01 0.00 -3.30 0.00 0.00 52.55 48.63 1r6x s ASP 119 Cb 0.07 0.66 0.03 0.00 -1.09 0.00 0.00 42.92 42.59 1r6x s ASP 119 CO 0.45 -1.17 0.03 -0.69 0.70 0.00 0.00 175.17 174.49 1r6x s VAL 120 N -3.81 0.09 0.09 2.11 1.01 -1.26 -1.02 120.40 117.61 1r6x s VAL 120 Ca 0.07 0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 1r6x s VAL 120 Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 1r6x s VAL 120 CO -0.01 0.19 0.08 -0.72 0.00 0.00 0.00 175.10 174.64 1r6x s TYR 121 N 1.79 0.44 -0.45 5.22 1.13 -0.32 -4.99 117.35 120.17 1r6x s TYR 121 Ca 0.01 -0.91 -0.11 0.00 -1.41 0.00 0.00 57.07 54.65 1r6x s TYR 121 Cb -0.12 -0.26 0.09 0.00 -1.10 0.00 0.00 41.96 40.56 1r6x s TYR 121 CO -0.03 -0.49 0.32 0.21 -2.51 0.00 0.00 175.55 173.05 1r6x s LYS 122 N -3.93 2.65 0.54 -3.49 2.20 -1.26 -0.35 119.74 116.10 1r6x s LYS 122 Ca 0.10 -1.55 -0.19 0.00 -0.36 0.00 0.00 55.97 53.97 1r6x s LYS 122 Cb 0.06 -3.91 -0.06 0.00 -1.51 0.00 0.00 37.83 32.42 1r6x s LYS 122 CO -0.08 -1.06 1.12 -1.25 -0.36 0.00 0.00 175.35 173.72 1r6x s PRO 123 N 1.45 3.40 -0.68 4.03 0.04 -1.26 -4.95 135.00 137.03 1r6x s PRO 123 Ca 0.04 1.57 -0.25 0.00 0.04 0.00 0.00 61.00 62.40 1r6x s PRO 123 Cb -0.25 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.33 1r6x s PRO 123 CO 0.02 -0.80 1.09 1.21 0.04 0.00 0.00 177.00 178.56 1r6x s ASN 124 N -1.84 6.19 0.51 6.66 3.84 -1.26 -4.87 114.94 124.17 1r6x s ASN 124 Ca 0.72 -0.70 0.29 0.00 0.21 0.00 0.00 52.86 53.38 1r6x s ASN 124 Cb -0.23 -2.48 1.33 0.00 -0.55 0.00 0.00 41.25 39.32 1r6x s ASN 124 CO 0.27 -1.59 1.99 0.11 -2.79 0.00 0.00 177.10 175.09 1r6x h LYS 125 N 9.73 0.00 -0.42 0.43 1.57 -1.97 -2.60 116.57 123.32 1r6x h LYS 125 Ca -0.28 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.38 1r6x h LYS 125 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1r6x h LYS 125 CO 1.22 0.12 -0.20 1.15 -0.57 0.00 0.00 179.45 181.17 1r6x h THR 126 N 0.00 1.28 -0.58 -0.16 2.02 -1.99 0.11 112.91 113.60 1r6x h THR 126 Ca -0.00 -1.35 -0.07 0.00 0.77 0.00 0.00 66.41 65.76 1r6x h THR 126 Cb 0.49 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1r6x h THR 126 CO 0.02 0.45 0.08 0.40 0.37 0.00 0.00 175.52 176.84 1r6x h ILE 127 N 0.70 1.26 -0.35 3.11 2.04 -1.90 -0.87 117.51 121.49 1r6x h ILE 127 Ca 0.09 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1r6x h ILE 127 Cb 0.76 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1r6x h ILE 127 CO 0.06 0.37 0.17 -0.08 0.00 0.00 0.00 178.15 178.67 1r6x h GLU 128 N 0.86 0.50 -0.57 2.37 4.81 -1.24 0.13 114.58 121.44 1r6x h GLU 128 Ca 0.17 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1r6x h GLU 128 Cb 0.44 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1r6x h GLU 128 CO 0.01 0.45 0.35 0.00 -0.73 0.00 0.00 179.01 179.09 1r6x h ALA 129 N 1.03 0.73 0.27 2.92 0.00 -0.58 -0.60 119.26 123.03 1r6x h ALA 129 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1r6x h ALA 129 Cb 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1r6x h ALA 129 CO -0.02 0.20 -0.13 0.93 0.00 0.00 0.00 179.25 180.24 1r6x h GLU 130 N 0.77 -0.34 -0.14 0.00 4.39 -0.97 0.15 114.58 118.43 1r6x h GLU 130 Ca 0.20 0.02 -0.21 0.00 0.34 0.00 0.00 59.36 59.72 1r6x h GLU 130 Cb -0.03 0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1r6x h GLU 130 CO -0.04 0.01 -0.73 0.87 -1.16 0.00 0.00 179.01 177.96 1r6x h LYS 131 N -0.81 0.74 0.18 2.33 1.57 -1.01 -2.24 116.57 117.32 1r6x h LYS 131 Ca -0.04 -0.61 -0.34 0.00 -1.87 0.00 0.00 60.65 57.79 1r6x h LYS 131 Cb 0.51 0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.96 1r6x h LYS 131 CO 0.06 1.22 -1.72 0.28 -0.57 0.00 0.00 179.45 178.72 1r6x h VAL 132 N 0.45 0.93 -0.25 0.50 2.07 -1.27 -3.40 116.25 115.28 1r6x h VAL 132 Ca -0.05 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 64.98 1r6x h VAL 132 Cb 1.36 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 33.88 1r6x h VAL 132 CO 0.15 0.84 0.00 0.49 0.02 0.00 0.00 177.57 179.07 1r6x n PHE 133 N -3.63 0.33 -0.99 1.57 0.99 -0.93 -4.91 117.46 109.90 1r6x n PHE 133 Ca -0.25 -0.39 0.00 0.00 -0.00 0.00 0.00 57.45 56.81 1r6x n PHE 133 Cb 1.05 -0.02 0.00 0.00 -1.00 0.00 0.00 39.48 39.51 1r6x n PHE 133 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1r6x n ARG 134 N 0.48 -0.36 -0.17 -1.08 1.74 -0.84 -4.45 116.66 111.98 1r6x n ARG 134 Ca 0.10 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1r6x n ARG 134 Cb 0.38 -3.35 0.00 0.00 -1.02 0.00 0.00 32.46 28.47 1r6x n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1r6x n GLY 135 N -2.16 1.82 3.66 -0.13 0.00 0.45 -4.87 105.19 103.96 1r6x n GLY 135 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1r6x n GLY 135 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r6x s ASP 136 N -3.26 6.75 0.65 1.61 3.68 -1.26 -4.87 116.67 119.97 1r6x s ASP 136 Ca 0.00 1.92 0.30 0.00 2.13 0.00 0.00 52.55 56.90 1r6x s ASP 136 Cb 0.00 -2.54 1.61 0.00 -1.45 0.00 0.00 42.92 40.55 1r6x s ASP 136 CO 0.00 -0.90 1.93 -0.65 0.13 0.00 0.00 175.17 175.68 1r6x h PRO 137 N 9.11 0.00 -0.00 4.34 0.11 -1.98 0.19 132.00 143.78 1r6x h PRO 137 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1r6x h PRO 137 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1r6x h PRO 137 CO 0.97 0.00 -0.31 -1.91 -0.21 0.00 0.00 178.00 176.54 1r6x n GLU 138 N -3.09 0.03 -1.76 1.05 2.13 -1.26 -4.23 120.64 113.51 1r6x n GLU 138 Ca 0.00 -0.01 -0.42 0.00 0.66 0.00 0.00 57.16 57.39 1r6x n GLU 138 Cb 0.43 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.61 1r6x n GLU 138 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1r6x s HIS 139 N -2.98 2.91 0.32 4.31 2.46 0.05 -4.85 115.29 117.52 1r6x s HIS 139 Ca 0.13 0.38 0.08 0.00 0.47 0.00 0.00 55.06 56.11 1r6x s HIS 139 Cb 0.18 -4.11 0.79 0.00 -0.13 0.00 0.00 32.58 29.31 1r6x s HIS 139 CO 0.63 -4.20 1.79 -1.35 -2.47 0.00 0.00 174.74 169.15 1r6x h PRO 140 N 6.85 0.70 -0.01 2.88 0.11 -1.89 -0.85 132.00 139.79 1r6x h PRO 140 Ca -0.43 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 1r6x h PRO 140 Cb 1.20 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1r6x h PRO 140 CO 0.95 0.46 -0.52 0.00 -0.21 0.00 0.00 178.00 178.68 1r6x h ALA 141 N 1.63 1.13 0.14 -0.75 0.00 -1.90 -1.68 119.26 117.84 1r6x h ALA 141 Ca 0.56 -0.47 -0.30 0.00 0.00 0.00 0.00 54.91 54.69 1r6x h ALA 141 Cb 0.93 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.66 1r6x h ALA 141 CO -0.34 0.65 -1.28 0.82 0.00 0.00 0.00 179.25 179.10 1r6x h ILE 142 N 0.01 1.28 -0.75 0.00 2.04 -1.52 -0.25 117.51 118.32 1r6x h ILE 142 Ca -0.00 -2.50 -0.02 0.00 1.00 0.00 0.00 64.86 63.34 1r6x h ILE 142 Cb 0.92 2.74 -0.04 0.00 -0.74 0.00 0.00 36.82 39.71 1r6x h ILE 142 CO 0.07 0.76 0.40 0.28 0.00 0.00 0.00 178.15 179.65 1r6x h SER 143 N 0.26 0.95 -0.06 1.72 0.02 -1.18 -1.28 113.55 113.99 1r6x h SER 143 Ca -0.20 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 1r6x h SER 143 Cb 1.95 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 64.25 1r6x h SER 143 CO 0.24 0.79 0.01 0.22 -1.14 0.00 0.00 176.83 176.96 1r6x h TYR 144 N 1.04 0.11 -0.61 3.45 3.20 -1.29 -0.31 116.97 122.57 1r6x h TYR 144 Ca 0.26 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.24 1r6x h TYR 144 Cb 0.06 -0.03 -0.10 0.00 1.54 0.00 0.00 36.73 38.21 1r6x h TYR 144 CO 0.00 0.32 0.07 1.25 -1.64 0.00 0.00 178.16 178.17 1r6x h LEU 145 N -0.13 -0.13 0.18 2.82 5.85 -0.65 0.11 115.31 123.36 1r6x h LEU 145 Ca 0.02 0.13 -0.34 0.00 0.84 0.00 0.00 57.88 58.53 1r6x h LEU 145 Cb 0.27 0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.52 1r6x h LEU 145 CO 0.00 -0.05 -1.66 -0.26 -0.34 0.00 0.00 178.44 176.12 1r6x h PHE 146 N 0.19 0.67 0.16 1.25 -1.00 -1.22 -3.34 116.94 113.65 1r6x h PHE 146 Ca 0.32 -0.49 -0.36 0.00 2.81 0.00 0.00 57.97 60.25 1r6x h PHE 146 Cb 0.51 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 40.04 1r6x h PHE 146 CO -0.30 1.58 -1.87 -0.91 -1.61 0.00 0.00 178.31 175.20 1r6x h ASN 147 N 0.10 0.52 0.00 2.17 2.35 -0.97 -3.44 115.58 116.31 1r6x h ASN 147 Ca -0.31 -0.94 -0.41 0.00 -0.55 0.00 0.00 56.30 54.10 1r6x h ASN 147 Cb 2.09 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 40.22 1r6x h ASN 147 CO 0.18 1.82 -2.39 0.52 -1.65 0.00 0.00 177.43 175.91 1r6x n VAL 148 N -3.53 1.37 -1.77 2.81 0.31 0.19 -5.01 118.33 112.71 1r6x n VAL 148 Ca -0.28 -0.39 -0.41 0.00 -0.01 0.00 0.00 64.34 63.24 1r6x n VAL 148 Cb 1.06 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 1r6x n VAL 148 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r6x n ALA 149 N -3.89 2.29 -1.44 3.52 0.00 -0.10 -4.96 120.51 115.94 1r6x n ALA 149 Ca -0.48 0.33 -0.35 0.00 0.00 0.00 0.00 53.44 52.94 1r6x n ALA 149 Cb 0.88 -2.41 0.09 0.00 0.00 0.00 0.00 19.45 18.00 1r6x n ALA 149 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1r6x s GLY 150 N -0.19 2.44 0.00 0.00 0.00 -1.26 -4.83 107.32 103.49 1r6x s GLY 150 Ca 0.54 0.93 0.30 0.00 0.00 0.00 0.00 44.72 46.50 1r6x s GLY 150 CO 0.63 1.34 2.00 1.22 0.00 0.00 0.00 173.10 178.29 1r6x n ASP 151 N -2.53 0.31 -4.22 1.64 8.00 -1.08 -4.46 116.55 114.21 1r6x n ASP 151 Ca 0.14 -0.67 -0.27 0.00 0.71 0.00 0.00 54.79 54.70 1r6x n ASP 151 Cb 0.50 -0.10 -0.15 0.00 -0.02 0.00 0.00 41.12 41.35 1r6x n ASP 151 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1r6x s TYR 152 N -2.32 1.83 -0.01 1.24 1.51 -0.72 -4.00 117.35 114.87 1r6x s TYR 152 Ca 0.35 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 56.09 1r6x s TYR 152 Cb 0.21 -1.17 -0.03 0.00 -0.11 0.00 0.00 41.96 40.86 1r6x s TYR 152 CO 0.43 -0.02 -0.07 0.71 -1.11 0.00 0.00 175.55 175.49 1r6x s TYR 153 N -0.51 2.89 -0.27 2.71 2.02 0.52 0.17 117.35 124.88 1r6x s TYR 153 Ca 0.08 -0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 1r6x s TYR 153 Cb -0.08 -1.63 0.05 0.00 -0.40 0.00 0.00 41.96 39.90 1r6x s TYR 153 CO -0.00 0.36 -0.06 0.08 -1.57 0.00 0.00 175.55 174.36 1r6x s VAL 154 N -0.96 2.64 0.15 0.71 1.01 -0.21 -1.17 120.40 122.57 1r6x s VAL 154 Ca 0.16 -1.42 -0.18 0.00 0.00 0.00 0.00 61.98 60.55 1r6x s VAL 154 Cb -0.11 -2.49 -0.07 0.00 0.00 0.00 0.00 36.38 33.70 1r6x s VAL 154 CO 0.06 -0.02 0.61 -0.83 0.00 0.00 0.00 175.10 174.93 1r6x s GLY 155 N 1.21 2.58 0.00 4.51 0.00 -0.19 -4.08 107.32 111.34 1r6x s GLY 155 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.68 1r6x s GLY 155 CO -0.03 0.36 0.00 0.61 0.00 0.00 0.00 173.10 174.04 1r6x n GLY 156 N 1.06 0.99 3.86 0.20 0.00 -0.54 -0.24 105.19 110.51 1r6x n GLY 156 Ca -0.06 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 1r6x n GLY 156 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r6x s SER 157 N 0.00 6.74 0.08 1.61 1.04 -0.90 -1.51 113.70 120.75 1r6x s SER 157 Ca 0.00 0.96 0.03 0.00 0.48 0.00 0.00 55.95 57.43 1r6x s SER 157 Cb 0.00 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.84 1r6x s SER 157 CO 0.00 0.10 0.05 -0.76 0.98 0.00 0.00 173.24 173.61 1r6x s LEU 158 N -2.07 3.70 -0.10 2.42 1.43 -0.44 -1.02 118.68 122.60 1r6x s LEU 158 Ca 0.38 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.45 1r6x s LEU 158 Cb -0.14 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.71 1r6x s LEU 158 CO 0.19 0.18 -0.17 -1.61 0.23 0.00 0.00 176.35 175.17 1r6x s GLU 159 N -2.32 2.34 0.22 1.70 2.02 -0.42 -4.91 118.70 117.33 1r6x s GLU 159 Ca 0.28 -0.62 -0.20 0.00 0.02 0.00 0.00 54.97 54.45 1r6x s GLU 159 Cb -0.12 -1.90 -0.08 0.00 0.10 0.00 0.00 34.13 32.13 1r6x s GLU 159 CO 0.20 0.02 0.73 0.00 0.02 0.00 0.00 175.26 176.23 1r6x s ALA 160 N 0.75 3.41 -0.02 5.21 0.00 -1.26 -1.16 121.76 128.68 1r6x s ALA 160 Ca -0.11 0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 1r6x s ALA 160 Cb -0.16 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 1r6x s ALA 160 CO 0.02 0.32 -0.09 -0.89 0.00 0.00 0.00 175.76 175.12 1r6x n ILE 161 N 0.74 0.82 -3.49 0.00 5.41 -0.50 -4.82 119.36 117.52 1r6x n ILE 161 Ca -0.02 0.11 -0.13 0.00 1.00 0.00 0.00 62.75 63.71 1r6x n ILE 161 Cb 0.51 -1.69 -0.04 0.00 -0.71 0.00 0.00 39.64 37.72 1r6x n ILE 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r6x s GLN 162 N -2.18 1.01 0.55 0.38 -2.07 -0.91 -4.99 119.66 111.45 1r6x s GLN 162 Ca -0.09 -0.13 -0.17 0.00 -1.82 0.00 0.00 55.36 53.14 1r6x s GLN 162 Cb 0.03 0.47 -0.06 0.00 -1.09 0.00 0.00 33.01 32.36 1r6x s GLN 162 CO 0.12 -0.40 1.05 -0.51 -1.32 0.00 0.00 175.29 174.23 1r6x s LEU 163 N -2.01 3.63 0.33 2.60 1.43 -1.26 -4.63 118.68 118.77 1r6x s LEU 163 Ca -0.02 1.85 -0.27 0.00 -1.03 0.00 0.00 54.13 54.66 1r6x s LEU 163 Cb -0.01 -4.54 -0.13 0.00 0.03 0.00 0.00 46.19 41.54 1r6x s LEU 163 CO -0.03 -1.01 1.09 -2.65 0.23 0.00 0.00 176.35 173.98 1r6x n PRO 164 N -1.62 1.59 -2.74 1.29 -0.02 -1.26 -4.90 135.00 127.34 1r6x n PRO 164 Ca 0.09 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 1r6x n PRO 164 Cb 0.53 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.93 1r6x n PRO 164 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1r6x s GLN 165 N -1.74 4.68 0.04 -0.52 2.00 -1.26 -5.06 119.66 117.80 1r6x s GLN 165 Ca 0.58 1.43 0.09 0.00 -2.00 0.00 0.00 55.36 55.46 1r6x s GLN 165 Cb -0.63 -3.38 -0.03 0.00 0.80 0.00 0.00 33.01 29.77 1r6x s GLN 165 CO 0.60 0.20 -0.25 -1.01 -0.50 0.00 0.00 175.29 174.32 1r6x s HIS 166 N 0.08 2.35 -1.13 1.67 3.76 -1.26 -5.02 115.29 115.74 1r6x s HIS 166 Ca 0.47 -0.39 0.10 0.00 -0.15 0.00 0.00 55.06 55.08 1r6x s HIS 166 Cb -0.23 -1.40 0.12 0.00 1.11 0.00 0.00 32.58 32.18 1r6x s HIS 166 CO 0.29 0.14 0.91 0.66 -0.85 0.00 0.00 174.74 175.89 1r6x n TYR 167 N 1.76 0.10 -4.58 1.40 4.02 -1.26 -4.96 117.16 113.64 1r6x n TYR 167 Ca -0.17 -0.12 -0.30 0.00 -0.01 0.00 0.00 57.90 57.30 1r6x n TYR 167 Cb 0.52 -0.01 -0.12 0.00 -0.02 0.00 0.00 39.34 39.71 1r6x n TYR 167 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1r6x s ASP 168 N -0.86 3.76 -0.56 7.72 1.01 -1.26 -4.88 116.67 121.59 1r6x s ASP 168 Ca 0.14 -0.48 -0.19 0.00 0.71 0.00 0.00 52.55 52.72 1r6x s ASP 168 Cb 0.09 -0.56 0.03 0.00 1.01 0.00 0.00 42.92 43.49 1r6x s ASP 168 CO 0.13 0.24 0.57 -1.22 0.21 0.00 0.00 175.17 175.09 1r6x n TYR 169 N 1.37 -2.13 -2.15 4.23 4.02 -1.26 -4.88 117.16 116.35 1r6x n TYR 169 Ca -0.16 0.89 -0.41 0.00 -0.01 0.00 0.00 57.90 58.21 1r6x n TYR 169 Cb 0.52 -1.98 -0.02 0.00 -0.02 0.00 0.00 39.34 37.84 1r6x n TYR 169 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1r6x s PRO 170 N -3.36 4.38 0.00 -0.72 0.04 -1.26 -2.76 135.00 131.32 1r6x s PRO 170 Ca 0.19 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1r6x s PRO 170 Cb -0.02 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.42 1r6x s PRO 170 CO 0.80 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 178.07 1r6x n GLY 171 N 1.22 1.23 0.15 0.56 0.00 -1.26 -4.83 105.19 102.27 1r6x n GLY 171 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1r6x n GLY 171 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1r6x h LEU 172 N 0.00 0.00 -7.09 0.99 5.85 -1.88 -3.38 115.31 109.81 1r6x h LEU 172 Ca 0.00 0.00 -0.78 0.00 0.84 0.00 0.00 57.88 57.94 1r6x h LEU 172 Cb 0.00 0.00 -0.23 0.00 0.37 0.00 0.00 40.66 40.80 1r6x h LEU 172 CO 0.00 0.05 1.16 0.54 -0.34 0.00 0.00 178.44 179.85 1r6x n ARG 173 N -2.87 3.84 -1.93 1.25 1.74 -1.26 -1.29 116.66 116.13 1r6x n ARG 173 Ca 0.01 -4.12 -0.41 0.00 -0.77 0.00 0.00 57.85 52.56 1r6x n ARG 173 Cb 0.57 -2.73 -0.01 0.00 -1.02 0.00 0.00 32.46 29.27 1r6x n ARG 173 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1r6x s LYS 174 N -0.78 4.11 0.75 5.56 -0.14 -1.26 -4.95 119.74 123.02 1r6x s LYS 174 Ca 0.36 2.39 -0.10 0.00 -1.36 0.00 0.00 55.97 57.25 1r6x s LYS 174 Cb 0.01 -2.93 0.06 0.00 -1.68 0.00 0.00 37.83 33.29 1r6x s LYS 174 CO 0.02 -0.46 1.10 0.95 -0.76 0.00 0.00 175.35 176.20 1r6x s THR 175 N -1.16 2.46 0.23 2.17 -4.23 -1.26 -4.78 115.64 109.06 1r6x s THR 175 Ca 0.53 0.02 -0.07 0.00 -1.18 0.00 0.00 61.69 60.99 1r6x s THR 175 Cb -0.43 -3.12 0.18 0.00 1.34 0.00 0.00 72.50 70.47 1r6x s THR 175 CO 0.57 -0.15 1.82 -0.65 -0.54 0.00 0.00 174.62 175.68 1r6x h PRO 176 N -0.81 0.78 -0.55 3.99 0.11 -1.87 0.88 132.00 134.53 1r6x h PRO 176 Ca -0.45 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1r6x h PRO 176 Cb 1.31 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1r6x h PRO 176 CO 0.64 0.52 0.26 0.00 -0.21 0.00 0.00 178.00 179.21 1r6x h ALA 177 N 1.38 0.71 -0.29 -0.75 0.00 -1.87 0.41 119.26 118.85 1r6x h ALA 177 Ca 0.34 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1r6x h ALA 177 Cb 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1r6x h ALA 177 CO -0.19 0.28 0.07 1.96 0.00 0.00 0.00 179.25 181.38 1r6x h GLN 178 N 0.75 0.47 -0.56 0.00 4.20 -1.75 -1.56 115.11 116.65 1r6x h GLN 178 Ca 0.19 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 1r6x h GLN 178 Cb 0.13 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1r6x h GLN 178 CO -0.02 0.54 0.14 -0.07 -0.67 0.00 0.00 178.83 178.75 1r6x h LEU 179 N 0.31 0.85 -1.03 1.46 3.38 -0.70 0.12 115.31 119.70 1r6x h LEU 179 Ca 0.09 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1r6x h LEU 179 Cb 0.28 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1r6x h LEU 179 CO 0.00 0.86 0.65 0.03 0.09 0.00 0.00 178.44 180.07 1r6x h ARG 180 N 0.80 1.24 -0.25 1.13 3.08 -0.82 -0.45 114.38 119.11 1r6x h ARG 180 Ca 0.18 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 60.01 1r6x h ARG 180 Cb 0.34 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1r6x h ARG 180 CO 0.00 0.82 -0.44 1.25 -1.07 0.00 0.00 179.97 180.53 1r6x h LEU 181 N 1.27 0.66 -0.55 3.04 5.85 -0.85 -1.25 115.31 123.49 1r6x h LEU 181 Ca 0.39 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1r6x h LEU 181 Cb -0.03 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1r6x h LEU 181 CO -0.11 1.01 0.31 -0.08 -0.34 0.00 0.00 178.44 179.22 1r6x h GLU 182 N 0.50 0.76 -0.22 1.25 4.57 -0.01 0.11 114.58 121.54 1r6x h GLU 182 Ca 0.04 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 1r6x h GLU 182 Cb 0.96 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 1r6x h GLU 182 CO 0.09 0.58 -0.02 0.74 -1.18 0.00 0.00 179.01 179.22 1r6x h PHE 183 N 0.74 0.45 -0.91 0.92 0.05 -0.98 -2.89 116.94 114.32 1r6x h PHE 183 Ca 0.19 -0.09 -0.02 0.00 3.82 0.00 0.00 57.97 61.88 1r6x h PHE 183 Cb 0.04 -0.11 -0.04 0.00 2.00 0.00 0.00 35.95 37.83 1r6x h PHE 183 CO -0.02 0.61 0.51 0.37 -0.18 0.00 0.00 178.31 179.60 1r6x h GLN 184 N 0.15 1.27 0.00 1.51 4.15 -1.04 0.27 115.11 121.41 1r6x h GLN 184 Ca 0.06 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1r6x h GLN 184 Cb 0.45 -0.25 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 1r6x h GLN 184 CO 0.02 0.92 -0.03 0.77 -1.93 0.00 0.00 178.83 178.57 1r6x h SER 185 N 1.27 0.00 -0.24 -0.69 0.02 -0.66 -1.24 113.55 112.01 1r6x h SER 185 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1r6x h SER 185 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1r6x h SER 185 CO -0.05 0.03 0.00 0.54 -1.14 0.00 0.00 176.83 176.21 1r6x n ARG 186 N -3.37 1.94 -2.78 3.45 1.74 -0.77 -4.96 116.66 111.93 1r6x n ARG 186 Ca -0.02 -1.81 -0.20 0.00 -0.77 0.00 0.00 57.85 55.05 1r6x n ARG 186 Cb 0.16 -1.32 0.02 0.00 -1.02 0.00 0.00 32.46 30.29 1r6x n ARG 186 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1r6x n GLN 187 N 0.86 -3.60 -2.91 5.56 6.02 -0.47 -4.93 117.38 117.90 1r6x n GLN 187 Ca 0.12 0.84 -0.44 0.00 -0.01 0.00 0.00 57.00 57.52 1r6x n GLN 187 Cb 0.43 -5.47 -0.02 0.00 1.02 0.00 0.00 30.24 26.20 1r6x n GLN 187 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1r6x s TRP 188 N -3.06 3.15 -0.47 1.08 0.52 0.84 -4.79 118.94 116.20 1r6x s TRP 188 Ca 0.20 -1.48 0.24 0.00 0.02 0.00 0.00 56.10 55.07 1r6x s TRP 188 Cb -0.09 -4.31 0.27 0.00 -1.15 0.00 0.00 33.47 28.20 1r6x s TRP 188 CO 0.24 -1.50 1.32 0.38 0.02 0.00 0.00 176.95 177.42 1r6x h ASP 189 N 8.62 0.00 -3.41 2.95 -0.00 -1.92 -3.41 116.42 119.25 1r6x h ASP 189 Ca 0.18 -0.08 -0.66 0.00 -0.00 0.00 0.00 57.03 56.48 1r6x h ASP 189 Cb 1.00 0.00 -0.36 0.00 -0.00 0.00 0.00 39.33 39.97 1r6x h ASP 189 CO 1.14 0.04 -0.83 -0.13 -0.00 0.00 0.00 179.24 179.46 1r6x s ARG 190 N -3.24 2.54 -0.05 4.15 0.52 -1.26 -4.67 118.95 116.94 1r6x s ARG 190 Ca 0.04 -1.00 0.01 0.00 -0.52 0.00 0.00 55.73 54.26 1r6x s ARG 190 Cb 0.10 -2.64 0.02 0.00 0.52 0.00 0.00 34.95 32.96 1r6x s ARG 190 CO 0.72 -0.37 -0.04 0.08 0.02 0.00 0.00 175.30 175.71 1r6x s VAL 191 N 1.25 0.54 -0.27 3.52 1.01 -1.26 -1.17 120.40 124.01 1r6x s VAL 191 Ca -0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1r6x s VAL 191 Cb -0.16 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1r6x s VAL 191 CO -0.09 0.24 0.17 0.54 0.00 0.00 0.00 175.10 175.96 1r6x s VAL 192 N 1.09 5.20 0.01 2.92 0.11 0.22 -0.95 120.40 129.00 1r6x s VAL 192 Ca -0.08 0.13 -0.12 0.00 -2.93 0.00 0.00 61.98 58.98 1r6x s VAL 192 Cb -0.14 -3.47 -0.06 0.00 -1.53 0.00 0.00 36.38 31.18 1r6x s VAL 192 CO -0.01 0.27 0.38 0.00 -3.33 0.00 0.00 175.10 172.41 1r6x s ALA 193 N 1.68 3.73 -0.18 1.54 0.00 -0.19 -1.02 121.76 127.31 1r6x s ALA 193 Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1r6x s ALA 193 Cb -0.16 -2.31 0.01 0.00 0.00 0.00 0.00 23.12 20.67 1r6x s ALA 193 CO 0.10 0.52 -0.17 0.12 0.00 0.00 0.00 175.76 176.33 1r6x s PHE 194 N -1.18 2.80 0.01 0.00 5.36 -0.02 -2.05 117.98 122.90 1r6x s PHE 194 Ca 0.26 -1.49 -0.17 0.00 -0.96 0.00 0.00 56.93 54.57 1r6x s PHE 194 Cb -0.15 -1.94 -0.06 0.00 -0.34 0.00 0.00 43.02 40.53 1r6x s PHE 194 CO 0.14 -0.74 0.47 -1.14 -1.46 0.00 0.00 175.22 172.49 1r6x s GLN 195 N 1.27 4.06 -0.10 10.12 2.00 -1.26 -1.38 119.66 134.36 1r6x s GLN 195 Ca 0.04 0.52 -0.30 0.00 -2.00 0.00 0.00 55.36 53.61 1r6x s GLN 195 Cb -0.13 -3.25 0.10 0.00 0.80 0.00 0.00 33.01 30.52 1r6x s GLN 195 CO -0.10 0.61 0.85 -0.08 -0.50 0.00 0.00 175.29 176.07 1r6x s THR 196 N -0.87 0.00 -0.04 -0.34 -1.32 -1.26 -5.00 115.64 106.80 1r6x s THR 196 Ca 0.26 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.80 1r6x s THR 196 Cb -0.17 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 69.91 1r6x s THR 196 CO 0.15 0.00 0.99 -2.11 -2.21 0.00 0.00 174.62 171.44 1r6x n ARG 197 N 0.74 0.66 -4.40 7.08 1.85 -1.26 -1.22 116.66 120.11 1r6x n ARG 197 Ca -0.14 -1.50 -0.20 0.00 -1.00 0.00 0.00 57.85 55.01 1r6x n ARG 197 Cb 0.58 -0.87 -0.10 0.00 -1.05 0.00 0.00 32.46 31.02 1r6x n ARG 197 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1r6x s ASN 198 N -1.50 1.90 0.89 2.89 -0.87 -1.26 -4.65 114.94 112.35 1r6x s ASN 198 Ca 0.10 -1.47 -0.11 0.00 -1.57 0.00 0.00 52.86 49.81 1r6x s ASN 198 Cb 0.09 0.20 0.13 0.00 -0.02 0.00 0.00 41.25 41.65 1r6x s ASN 198 CO 0.01 -0.76 1.09 -2.84 -2.57 0.00 0.00 177.10 172.03 1r6x s PRO 199 N -3.89 1.28 -0.04 -0.60 0.02 -1.26 -5.04 135.00 125.47 1r6x s PRO 199 Ca 0.34 0.95 0.06 0.00 0.02 0.00 0.00 61.00 62.38 1r6x s PRO 199 Cb 0.07 -1.80 -0.02 0.00 0.02 0.00 0.00 34.50 32.77 1r6x s PRO 199 CO 0.15 -2.26 -0.23 -1.64 -0.33 0.00 0.00 177.00 172.69 1r6x s MET 200 N -4.87 2.32 0.21 5.54 -1.94 -1.26 -5.08 119.30 114.21 1r6x s MET 200 Ca 0.64 -0.87 0.00 0.00 -1.71 0.00 0.00 55.69 53.75 1r6x s MET 200 Cb -0.19 -2.16 0.00 0.00 2.01 0.00 0.00 34.83 34.50 1r6x s MET 200 CO 0.57 0.53 0.02 0.72 -0.01 0.00 0.00 175.02 176.85 1r6x n HIS 201 N 2.54 0.31 -0.31 -0.03 8.25 -1.26 -4.99 115.22 119.74 1r6x n HIS 201 Ca -0.17 -1.00 0.07 0.00 -0.26 0.00 0.00 57.72 56.36 1r6x n HIS 201 Cb 0.51 -0.14 0.22 0.00 1.12 0.00 0.00 29.99 31.71 1r6x n HIS 201 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1r6x h ARG 202 N 0.00 0.72 -0.90 -0.41 9.65 -1.75 -1.40 114.38 120.29 1r6x h ARG 202 Ca -0.17 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.70 1r6x h ARG 202 Cb 0.51 -0.16 -0.05 0.00 -1.39 0.00 0.00 29.97 28.88 1r6x h ARG 202 CO 0.27 0.47 0.59 0.00 2.80 0.00 0.00 179.97 184.11 1r6x h ALA 203 N 1.54 1.43 -0.20 2.80 0.00 -1.88 -0.84 119.26 122.11 1r6x h ALA 203 Ca 0.46 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.19 1r6x h ALA 203 Cb 0.58 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1r6x h ALA 203 CO -0.32 0.49 -0.48 0.45 0.00 0.00 0.00 179.25 179.39 1r6x h HIS 204 N 1.13 0.64 -0.48 0.00 3.86 -1.65 -0.66 115.15 117.99 1r6x h HIS 204 Ca 0.35 -0.21 -0.04 0.00 -1.16 0.00 0.00 60.37 59.31 1r6x h HIS 204 Cb 0.01 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1r6x h HIS 204 CO -0.00 0.90 0.13 -0.09 0.86 0.00 0.00 177.93 179.74 1r6x h ARG 205 N 0.42 0.77 -0.26 2.45 1.12 -0.89 -2.02 114.38 115.97 1r6x h ARG 205 Ca 0.02 -0.18 -0.05 0.00 -1.11 0.00 0.00 59.98 58.67 1r6x h ARG 205 Cb 1.00 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.84 1r6x h ARG 205 CO 0.09 0.74 -0.04 0.93 -3.11 0.00 0.00 179.97 178.58 1r6x h GLU 206 N 0.65 0.48 -0.32 0.20 4.39 -0.96 -2.02 114.58 117.00 1r6x h GLU 206 Ca 0.15 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 1r6x h GLU 206 Cb 0.30 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1r6x h GLU 206 CO -0.00 0.68 -0.26 1.37 -1.16 0.00 0.00 179.01 179.64 1r6x h LEU 207 N 0.23 0.64 -0.37 1.33 8.10 -1.09 -0.30 115.31 123.85 1r6x h LEU 207 Ca 0.07 -0.23 -0.18 0.00 0.11 0.00 0.00 57.88 57.64 1r6x h LEU 207 Cb 0.49 -0.18 -0.00 0.00 -0.44 0.00 0.00 40.66 40.53 1r6x h LEU 207 CO 0.02 0.88 -0.63 0.71 -4.11 0.00 0.00 178.44 175.31 1r6x h THR 208 N 0.55 1.31 -0.47 0.15 1.35 -1.38 -0.95 112.91 113.48 1r6x h THR 208 Ca 0.07 -1.88 -0.07 0.00 -0.55 0.00 0.00 66.41 63.98 1r6x h THR 208 Cb 0.73 1.84 -0.02 0.00 -1.73 0.00 0.00 68.15 68.97 1r6x h THR 208 CO 0.06 0.59 0.01 0.58 -0.25 0.00 0.00 175.52 176.51 1r6x h VAL 209 N 0.48 1.26 -0.68 6.82 2.07 -1.20 -1.75 116.25 123.26 1r6x h VAL 209 Ca -0.01 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 1r6x h VAL 209 Cb 1.21 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1r6x h VAL 209 CO 0.12 0.36 0.28 -0.09 0.02 0.00 0.00 177.57 178.26 1r6x h ARG 210 N 0.67 1.01 -0.59 1.57 2.43 -0.98 -1.23 114.38 117.26 1r6x h ARG 210 Ca 0.13 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1r6x h ARG 210 Cb 0.49 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1r6x h ARG 210 CO 0.02 0.83 0.38 0.00 -1.51 0.00 0.00 179.97 179.69 1r6x h ALA 211 N 1.12 0.74 -0.14 2.80 0.00 -0.95 -1.07 119.26 121.78 1r6x h ALA 211 Ca 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1r6x h ALA 211 Cb 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1r6x h ALA 211 CO -0.02 0.19 0.06 0.00 0.00 0.00 0.00 179.25 179.48 1r6x h ALA 212 N 1.20 0.18 -0.70 0.00 0.00 -1.01 -2.43 119.26 116.49 1r6x h ALA 212 Ca 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1r6x h ALA 212 Cb -0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1r6x h ALA 212 CO -0.04 -0.24 0.33 0.00 0.00 0.00 0.00 179.25 179.29 1r6x h ARG 213 N 0.07 1.01 0.00 0.00 3.08 -1.01 0.29 114.38 117.82 1r6x h ARG 213 Ca 0.05 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 1r6x h ARG 213 Cb 0.15 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1r6x h ARG 213 CO -0.00 0.80 -0.36 0.93 -1.07 0.00 0.00 179.97 180.27 1r6x h GLU 214 N 0.98 0.00 -0.48 0.04 5.08 -1.16 -2.48 114.58 116.56 1r6x h GLU 214 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1r6x h GLU 214 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1r6x h GLU 214 CO -0.03 0.36 0.00 0.00 -1.00 0.00 0.00 179.01 178.34 1r6x n ALA 215 N -2.46 2.42 -3.82 3.43 0.00 -0.92 -4.94 120.51 114.22 1r6x n ALA 215 Ca -0.02 -1.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.17 1r6x n ALA 215 Cb 0.40 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 18.93 1r6x n ALA 215 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1r6x n ASN 216 N 1.33 -1.36 -3.20 0.00 3.02 -0.31 -4.96 115.26 109.78 1r6x n ASN 216 Ca 0.20 -0.94 -0.19 0.00 -0.03 0.00 0.00 54.58 53.62 1r6x n ASN 216 Cb 0.55 -3.48 -0.07 0.00 -0.61 0.00 0.00 39.78 36.18 1r6x n ASN 216 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r6x n ALA 217 N -4.31 0.60 -2.28 5.41 0.00 0.87 -4.81 120.51 115.98 1r6x n ALA 217 Ca -0.28 -1.77 -0.22 0.00 0.00 0.00 0.00 53.44 51.17 1r6x n ALA 217 Cb 0.67 1.35 -0.03 0.00 0.00 0.00 0.00 19.45 21.44 1r6x n ALA 217 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1r6x s LYS 218 N -3.27 2.43 -0.13 0.00 -0.14 -0.32 -4.33 119.74 113.99 1r6x s LYS 218 Ca 0.30 -1.67 -0.02 0.00 -1.36 0.00 0.00 55.97 53.21 1r6x s LYS 218 Cb 0.01 -2.28 -0.02 0.00 -1.68 0.00 0.00 37.83 33.86 1r6x s LYS 218 CO 0.21 -0.28 -0.07 0.08 -0.76 0.00 0.00 175.35 174.53 1r6x s VAL 219 N -2.55 3.62 -0.29 3.17 1.01 0.12 -0.61 120.40 124.87 1r6x s VAL 219 Ca 0.45 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1r6x s VAL 219 Cb -0.02 -2.55 0.05 0.00 0.00 0.00 0.00 36.38 33.85 1r6x s VAL 219 CO 0.26 0.52 -0.01 -0.22 0.00 0.00 0.00 175.10 175.65 1r6x s LEU 220 N 0.16 3.79 -0.35 3.92 2.96 -0.19 -0.80 118.68 128.17 1r6x s LEU 220 Ca -0.03 -1.21 -0.23 0.00 -0.22 0.00 0.00 54.13 52.44 1r6x s LEU 220 Cb -0.14 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.85 1r6x s LEU 220 CO 0.03 -0.24 0.79 -0.63 -1.32 0.00 0.00 176.35 174.99 1r6x s ILE 221 N 1.27 4.74 -0.57 6.68 1.01 0.10 -0.84 121.20 133.59 1r6x s ILE 221 Ca -0.04 0.99 0.06 0.00 0.00 0.00 0.00 60.65 61.66 1r6x s ILE 221 Cb -0.19 -4.20 0.27 0.00 0.01 0.00 0.00 42.46 38.36 1r6x s ILE 221 CO -0.01 -0.38 0.76 1.57 0.00 0.00 0.00 174.94 176.87 1r6x n HIS 222 N 6.37 2.94 -2.15 3.97 -0.00 -0.48 -1.90 115.22 123.97 1r6x n HIS 222 Ca 0.03 -4.02 -0.36 0.00 0.46 0.00 0.00 57.72 53.83 1r6x n HIS 222 Cb 0.48 -0.51 0.01 0.00 -0.12 0.00 0.00 29.99 29.86 1r6x n HIS 222 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 1r6x s PRO 223 N -2.49 3.41 -0.04 1.57 0.02 -1.23 -4.28 135.00 131.97 1r6x s PRO 223 Ca 0.41 1.80 -0.23 0.00 0.02 0.00 0.00 61.00 63.00 1r6x s PRO 223 Cb 0.19 -2.18 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 1r6x s PRO 223 CO -0.06 -0.84 0.68 0.08 -0.33 0.00 0.00 177.00 176.53 1r6x s VAL 224 N -1.58 4.99 -0.32 3.83 1.01 -0.35 -0.61 120.40 127.36 1r6x s VAL 224 Ca 0.70 1.41 -0.02 0.00 0.00 0.00 0.00 61.98 64.07 1r6x s VAL 224 Cb -0.29 -4.02 0.12 0.00 0.00 0.00 0.00 36.38 32.18 1r6x s VAL 224 CO 0.34 0.30 0.16 -0.69 0.00 0.00 0.00 175.10 175.21 1r6x s VAL 225 N 0.50 0.04 0.00 2.92 1.01 -0.30 -4.79 120.40 119.78 1r6x s VAL 225 Ca 0.36 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1r6x s VAL 225 Cb -0.18 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1r6x s VAL 225 CO 0.18 -0.83 0.00 0.61 0.00 0.00 0.00 175.10 175.06 1r6x n GLY 226 N 4.75 -2.15 2.71 4.51 0.00 -1.26 -3.90 105.19 109.84 1r6x n GLY 226 Ca 0.01 0.75 -0.24 0.00 0.00 0.00 0.00 46.02 46.54 1r6x n GLY 226 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r6x s LEU 227 N -0.64 0.53 0.00 0.99 1.43 -0.85 -4.98 118.68 115.16 1r6x s LEU 227 Ca 0.00 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1r6x s LEU 227 Cb 0.00 -0.35 0.00 0.00 0.03 0.00 0.00 46.19 45.87 1r6x s LEU 227 CO 0.00 -0.26 0.00 0.35 0.23 0.00 0.00 176.35 176.67 1r6x n THR 228 N 5.20 0.00 -3.17 5.49 -2.24 -1.26 -0.82 114.28 117.47 1r6x n THR 228 Ca -0.06 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.33 1r6x n THR 228 Cb 0.49 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 1r6x n THR 228 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1r6x s LYS 229 N 2.84 4.33 0.10 -0.78 2.20 -1.26 -4.84 119.74 122.33 1r6x s LYS 229 Ca 0.00 0.86 -0.35 0.00 -0.36 0.00 0.00 55.97 56.13 1r6x s LYS 229 Cb 0.00 -3.27 -0.14 0.00 -1.51 0.00 0.00 37.83 32.91 1r6x s LYS 229 CO 0.00 0.57 1.56 -2.30 -0.36 0.00 0.00 175.35 174.82 1r6x n PRO 230 N 1.88 1.91 -0.33 4.03 -0.02 -1.26 -2.06 135.00 139.15 1r6x n PRO 230 Ca -0.08 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1r6x n PRO 230 Cb 0.50 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1r6x n PRO 230 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r6x n GLY 231 N 3.35 0.76 3.74 -1.23 0.00 -1.26 -5.07 105.19 105.48 1r6x n GLY 231 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1r6x n GLY 231 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r6x s ASP 232 N -2.47 3.98 0.34 1.61 1.01 -0.88 -4.96 116.67 115.30 1r6x s ASP 232 Ca 0.00 1.66 -0.29 0.00 0.71 0.00 0.00 52.55 54.63 1r6x s ASP 232 Cb 0.00 -2.34 -0.11 0.00 1.01 0.00 0.00 42.92 41.48 1r6x s ASP 232 CO 0.00 -2.35 1.43 -0.63 0.21 0.00 0.00 175.17 173.84 1r6x s ILE 233 N -2.92 2.33 0.21 0.77 -1.09 -1.26 -4.89 121.20 114.35 1r6x s ILE 233 Ca 0.62 0.32 -0.29 0.00 -2.23 0.00 0.00 60.65 59.07 1r6x s ILE 233 Cb -0.18 -3.21 -0.16 0.00 -1.58 0.00 0.00 42.46 37.34 1r6x s ILE 233 CO 0.56 0.07 0.79 -0.67 -1.23 0.00 0.00 174.94 174.47 1r6x n ASP 234 N 0.88 -0.01 0.23 3.58 -0.08 -1.26 -4.73 116.55 115.16 1r6x n ASP 234 Ca 0.02 1.15 0.07 0.00 -1.51 0.00 0.00 54.79 54.51 1r6x n ASP 234 Cb 0.40 -1.09 0.58 0.00 2.34 0.00 0.00 41.12 43.34 1r6x n ASP 234 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 1r6x h HIS 235 N 1.74 0.03 -0.29 -0.67 2.07 -1.98 -1.60 115.15 114.45 1r6x h HIS 235 Ca -0.35 -0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.06 1r6x h HIS 235 Cb 1.39 -0.01 -0.00 0.00 2.57 0.00 0.00 27.41 31.36 1r6x h HIS 235 CO 0.46 0.09 -0.26 0.45 -3.07 0.00 0.00 177.93 175.60 1r6x h HIS 236 N 0.03 0.82 -0.37 6.12 3.86 -1.99 -0.22 115.15 123.41 1r6x h HIS 236 Ca 0.01 -0.24 -0.01 0.00 -1.16 0.00 0.00 60.37 58.97 1r6x h HIS 236 Cb 0.12 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 1r6x h HIS 236 CO 0.00 0.97 0.21 1.15 0.86 0.00 0.00 177.93 181.12 1r6x h THR 237 N 0.43 1.14 -0.29 2.45 2.02 -1.81 -1.48 112.91 115.36 1r6x h THR 237 Ca 0.05 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1r6x h THR 237 Cb 0.82 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1r6x h THR 237 CO 0.07 0.14 0.13 0.03 0.37 0.00 0.00 175.52 176.26 1r6x h ARG 238 N 0.47 0.42 -0.74 6.66 3.08 -1.20 -1.26 114.38 121.81 1r6x h ARG 238 Ca 0.13 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1r6x h ARG 238 Cb 0.04 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1r6x h ARG 238 CO -0.02 0.41 0.48 0.28 -1.07 0.00 0.00 179.97 180.04 1r6x h VAL 239 N 0.33 1.20 -0.72 2.04 2.07 -0.89 -0.03 116.25 120.25 1r6x h VAL 239 Ca 0.10 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1r6x h VAL 239 Cb 0.13 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1r6x h VAL 239 CO -0.01 0.19 0.35 0.03 0.02 0.00 0.00 177.57 178.15 1r6x h ARG 240 N 1.00 1.01 -0.45 1.57 3.08 -1.06 -0.21 114.38 119.32 1r6x h ARG 240 Ca 0.27 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1r6x h ARG 240 Cb -0.09 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.75 1r6x h ARG 240 CO -0.06 0.78 0.20 0.28 -1.07 0.00 0.00 179.97 180.10 1r6x h VAL 241 N 1.01 1.19 -0.52 2.04 2.07 -0.29 -1.82 116.25 119.94 1r6x h VAL 241 Ca 0.25 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1r6x h VAL 241 Cb 0.09 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1r6x h VAL 241 CO -0.03 0.22 0.13 1.88 0.02 0.00 0.00 177.57 179.78 1r6x h TYR 242 N 0.58 0.87 -0.48 1.57 0.05 -0.42 -0.31 116.97 118.84 1r6x h TYR 242 Ca 0.15 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 1r6x h TYR 242 Cb 0.16 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 1r6x h TYR 242 CO -0.00 0.77 0.18 1.96 -1.05 0.00 0.00 178.16 180.02 1r6x h GLN 243 N 0.73 0.68 0.04 4.88 4.20 -0.93 -2.15 115.11 122.56 1r6x h GLN 243 Ca 0.16 -0.10 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 1r6x h GLN 243 Cb 0.33 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.00 1r6x h GLN 243 CO 0.00 0.57 -0.41 1.49 -0.67 0.00 0.00 178.83 179.81 1r6x h GLU 244 N 0.68 0.21 0.00 1.46 4.57 -1.04 -3.35 114.58 117.11 1r6x h GLU 244 Ca 0.16 -0.28 -0.05 0.00 -1.18 0.00 0.00 59.36 58.01 1r6x h GLU 244 Cb 0.15 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1r6x h GLU 244 CO -0.01 1.05 -0.26 0.97 -1.18 0.00 0.00 179.01 179.58 1r6x h ILE 245 N -0.50 0.94 0.00 2.32 2.10 -0.99 -2.30 117.51 119.09 1r6x h ILE 245 Ca -0.06 -0.98 -0.02 0.00 1.08 0.00 0.00 64.86 64.88 1r6x h ILE 245 Cb 1.23 1.57 -0.00 0.00 -1.09 0.00 0.00 36.82 38.53 1r6x h ILE 245 CO 0.08 0.26 -0.09 -0.29 -1.08 0.00 0.00 178.15 177.03 1r6x h ILE 246 N 0.00 0.38 0.00 2.19 2.10 -1.51 -0.56 117.51 120.11 1r6x h ILE 246 Ca -0.00 -0.50 0.00 0.00 1.08 0.00 0.00 64.86 65.44 1r6x h ILE 246 Cb 0.55 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.64 1r6x h ILE 246 CO 0.03 0.09 0.00 0.29 -1.08 0.00 0.00 178.15 177.48 1r6x n LYS 247 N -3.44 0.19 -0.08 2.19 5.02 -0.86 -2.32 118.16 118.85 1r6x n LYS 247 Ca -0.01 0.38 0.12 0.00 -2.02 0.00 0.00 58.31 56.78 1r6x n LYS 247 Cb 0.24 -1.84 0.32 0.00 -0.02 0.00 0.00 35.03 33.73 1r6x n LYS 247 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1r6x n ARG 248 N -2.20 1.99 -2.79 1.97 5.12 -0.22 -4.94 116.66 115.60 1r6x n ARG 248 Ca 0.03 -1.48 -0.31 0.00 -1.93 0.00 0.00 57.85 54.15 1r6x n ARG 248 Cb 0.25 -1.45 -0.04 0.00 -1.16 0.00 0.00 32.46 30.07 1r6x n ARG 248 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1r6x s TYR 249 N -1.78 3.46 0.62 -1.55 1.51 -0.98 -5.03 117.35 113.60 1r6x s TYR 249 Ca 0.34 1.15 -0.18 0.00 -1.01 0.00 0.00 57.07 57.38 1r6x s TYR 249 Cb 0.20 -2.53 -0.05 0.00 -0.11 0.00 0.00 41.96 39.47 1r6x s TYR 249 CO 0.29 -0.14 0.84 -2.30 -1.11 0.00 0.00 175.55 173.13 1r6x n PRO 250 N -1.26 0.71 -1.70 -1.71 -0.02 -1.26 -4.76 135.00 125.01 1r6x n PRO 250 Ca 0.03 0.28 -0.62 0.00 -2.02 0.00 0.00 63.50 61.18 1r6x n PRO 250 Cb 0.54 -2.05 -0.08 0.00 -0.02 0.00 0.00 33.50 31.88 1r6x n PRO 250 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1r6x n ASN 251 N -0.61 1.55 -4.10 2.55 3.02 -1.26 -2.57 115.26 113.84 1r6x n ASN 251 Ca 0.13 1.14 -0.29 0.00 -0.03 0.00 0.00 54.58 55.53 1r6x n ASN 251 Cb 0.48 -1.01 -0.04 0.00 -0.61 0.00 0.00 39.78 38.60 1r6x n ASN 251 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r6x n GLY 252 N 3.69 -0.23 0.00 7.41 0.00 -1.26 -4.87 105.19 109.93 1r6x n GLY 252 Ca 0.27 0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.46 1r6x n GLY 252 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1r6x n ILE 253 N -4.44 0.00 -4.30 -0.61 3.06 -1.06 -5.03 119.36 106.98 1r6x n ILE 253 Ca -0.25 -0.13 -0.18 0.00 -2.50 0.00 0.00 62.75 59.69 1r6x n ILE 253 Cb 0.66 0.50 -0.10 0.00 0.54 0.00 0.00 39.64 41.23 1r6x n ILE 253 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1r6x s ALA 254 N -2.13 1.77 0.00 1.51 0.00 -1.26 0.14 121.76 121.79 1r6x s ALA 254 Ca -0.01 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.45 1r6x s ALA 254 Cb 0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 1r6x s ALA 254 CO 0.16 0.07 -0.01 0.12 0.00 0.00 0.00 175.76 176.10 1r6x s PHE 255 N -2.66 0.07 -0.12 0.00 5.36 0.02 -4.95 117.98 115.69 1r6x s PHE 255 Ca 0.17 -0.12 0.01 0.00 -0.96 0.00 0.00 56.93 56.02 1r6x s PHE 255 Cb -0.02 -0.05 -0.02 0.00 -0.34 0.00 0.00 43.02 42.60 1r6x s PHE 255 CO 0.05 -0.04 -0.14 -1.17 -1.46 0.00 0.00 175.22 172.45 1r6x s LEU 256 N -0.34 2.69 -0.08 6.12 2.96 -1.26 -0.72 118.68 128.04 1r6x s LEU 256 Ca -0.04 -0.32 -0.12 0.00 -0.22 0.00 0.00 54.13 53.43 1r6x s LEU 256 Cb -0.02 -1.59 0.03 0.00 0.50 0.00 0.00 46.19 45.10 1r6x s LEU 256 CO -0.00 0.19 0.31 -0.55 -1.32 0.00 0.00 176.35 174.97 1r6x s SER 257 N 0.20 -0.27 0.01 3.68 0.15 -0.80 -4.99 113.70 111.68 1r6x s SER 257 Ca -0.08 0.44 -0.14 0.00 0.70 0.00 0.00 55.95 56.87 1r6x s SER 257 Cb -0.15 0.53 -0.06 0.00 -1.71 0.00 0.00 66.02 64.63 1r6x s SER 257 CO 0.05 -0.21 0.40 -0.76 1.20 0.00 0.00 173.24 173.92 1r6x s LEU 258 N -0.32 4.46 -0.28 3.45 1.43 -0.41 -3.48 118.68 123.53 1r6x s LEU 258 Ca -0.04 0.94 -0.05 0.00 -1.03 0.00 0.00 54.13 53.94 1r6x s LEU 258 Cb -0.03 -2.64 0.01 0.00 0.03 0.00 0.00 46.19 43.56 1r6x s LEU 258 CO 0.02 0.30 0.04 -0.22 0.23 0.00 0.00 176.35 176.72 1r6x s LEU 259 N -1.20 3.64 -0.32 1.79 2.96 0.22 -4.34 118.68 121.43 1r6x s LEU 259 Ca 0.25 -0.73 -0.07 0.00 -0.22 0.00 0.00 54.13 53.36 1r6x s LEU 259 Cb -0.16 -1.82 -0.23 0.00 0.50 0.00 0.00 46.19 44.48 1r6x s LEU 259 CO 0.14 -0.17 3.40 -0.81 -1.32 0.00 0.00 176.35 177.59 1r6x n PRO 260 N 4.81 2.27 -3.22 0.98 -0.04 -1.25 -1.15 135.00 137.40 1r6x n PRO 260 Ca -0.15 -1.20 -0.37 0.00 -0.04 0.00 0.00 63.50 61.74 1r6x n PRO 260 Cb 0.48 -2.14 -0.06 0.00 -0.04 0.00 0.00 33.50 31.74 1r6x n PRO 260 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1r6x s LEU 261 N 0.03 4.42 -0.62 1.53 2.96 -1.26 -4.70 118.68 121.04 1r6x s LEU 261 Ca 0.65 1.29 -0.14 0.00 -0.22 0.00 0.00 54.13 55.71 1r6x s LEU 261 Cb 0.28 -3.26 0.16 0.00 0.50 0.00 0.00 46.19 43.87 1r6x s LEU 261 CO -0.01 0.14 0.56 0.00 -1.32 0.00 0.00 176.35 175.72 1r6x s ALA 262 N -1.35 3.74 0.54 5.97 0.00 -1.26 -2.01 121.76 127.39 1r6x s ALA 262 Ca 0.37 -2.79 -0.20 0.00 0.00 0.00 0.00 51.96 49.33 1r6x s ALA 262 Cb -0.18 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1r6x s ALA 262 CO 0.20 -2.08 1.19 -1.64 0.00 0.00 0.00 175.76 173.43 1r6x s MET 263 N 1.10 3.32 0.00 0.00 1.00 -0.00 -4.93 119.30 119.78 1r6x s MET 263 Ca 0.08 1.81 0.17 0.00 0.00 0.00 0.00 55.69 57.74 1r6x s MET 263 Cb -0.24 -2.13 -0.13 0.00 0.00 0.00 0.00 34.83 32.34 1r6x s MET 263 CO -0.01 -0.92 0.75 0.54 0.00 0.00 0.00 175.02 175.38 1r6x n ARG 264 N -1.13 1.59 -3.60 2.03 3.00 -1.26 -4.81 116.66 112.48 1r6x n ARG 264 Ca 0.11 -0.24 -0.24 0.00 -0.01 0.00 0.00 57.85 57.48 1r6x n ARG 264 Cb 0.49 -1.28 0.08 0.00 0.00 0.00 0.00 32.46 31.74 1r6x n ARG 264 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1r6x n MET 265 N -1.03 -7.62 -1.09 5.56 2.81 -1.26 -3.70 117.12 110.80 1r6x n MET 265 Ca 0.04 0.81 -0.25 0.00 -1.81 0.00 0.00 57.70 56.50 1r6x n MET 265 Cb 0.29 -5.85 0.08 0.00 -0.71 0.00 0.00 33.22 27.03 1r6x n MET 265 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1r6x n SER 266 N -3.02 6.29 0.00 7.83 2.88 -1.16 -4.16 113.62 122.28 1r6x n SER 266 Ca -0.03 -3.41 0.00 0.00 -1.33 0.00 0.00 58.87 54.10 1r6x n SER 266 Cb 0.57 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 1r6x n SER 266 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r6x n GLY 267 N -0.45 1.72 0.24 0.46 0.00 -0.63 -1.69 105.19 104.83 1r6x n GLY 267 Ca 0.48 0.31 -0.07 0.00 0.00 0.00 0.00 46.02 46.73 1r6x n GLY 267 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1r6x h ASP 268 N 0.00 0.71 -0.77 1.61 -0.00 -1.88 0.42 116.42 116.51 1r6x h ASP 268 Ca 0.00 -0.10 -0.02 0.00 -0.00 0.00 0.00 57.03 56.91 1r6x h ASP 268 Cb 0.00 -0.18 -0.04 0.00 -0.00 0.00 0.00 39.33 39.11 1r6x h ASP 268 CO 0.00 0.60 0.39 0.03 -0.00 0.00 0.00 179.24 180.26 1r6x h ARG 269 N 0.76 1.10 -0.21 4.15 3.08 -1.80 -2.01 114.38 119.45 1r6x h ARG 269 Ca 0.20 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 1r6x h ARG 269 Cb 0.05 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1r6x h ARG 269 CO -0.03 0.83 -0.33 1.49 -1.07 0.00 0.00 179.97 180.86 1r6x h GLU 270 N 1.10 0.42 -0.73 0.04 4.81 -0.70 -2.27 114.58 117.25 1r6x h GLU 270 Ca 0.27 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1r6x h GLU 270 Cb 0.08 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1r6x h GLU 270 CO -0.04 0.70 0.34 0.00 -0.73 0.00 0.00 179.01 179.29 1r6x h ALA 271 N 1.29 1.23 -0.45 2.92 0.00 -0.23 0.30 119.26 124.32 1r6x h ALA 271 Ca 0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1r6x h ALA 271 Cb 0.76 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1r6x h ALA 271 CO 0.06 0.59 -0.00 0.28 0.00 0.00 0.00 179.25 180.17 1r6x h VAL 272 N 1.03 1.26 -0.66 0.00 2.07 -1.16 -1.08 116.25 117.71 1r6x h VAL 272 Ca 0.25 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 1r6x h VAL 272 Cb 0.12 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1r6x h VAL 272 CO -0.03 0.36 0.41 -0.25 0.02 0.00 0.00 177.57 178.08 1r6x h TRP 273 N 0.64 0.87 -0.86 1.57 7.01 -0.81 -1.12 115.95 123.25 1r6x h TRP 273 Ca 0.13 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 1r6x h TRP 273 Cb 0.50 -0.29 -0.04 0.00 -2.10 0.00 0.00 29.16 27.23 1r6x h TRP 273 CO 0.04 0.58 0.52 0.45 -2.79 0.00 0.00 178.44 177.24 1r6x h HIS 274 N 0.90 1.13 -0.71 2.65 3.86 -0.12 -0.11 115.15 122.74 1r6x h HIS 274 Ca 0.24 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.42 1r6x h HIS 274 Cb -0.04 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 28.02 1r6x h HIS 274 CO -0.02 0.75 0.33 0.00 0.86 0.00 0.00 177.93 179.84 1r6x h ALA 275 N 1.28 0.92 -0.15 2.45 0.00 -0.51 0.10 119.26 123.36 1r6x h ALA 275 Ca 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1r6x h ALA 275 Cb -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1r6x h ALA 275 CO -0.06 0.50 0.07 0.82 0.00 0.00 0.00 179.25 180.58 1r6x h ILE 276 N 1.00 1.13 -0.26 0.00 2.04 -0.71 -0.34 117.51 120.38 1r6x h ILE 276 Ca 0.24 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1r6x h ILE 276 Cb 0.14 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1r6x h ILE 276 CO -0.03 0.12 0.17 0.40 0.00 0.00 0.00 178.15 178.81 1r6x h ILE 277 N 0.10 1.06 -0.21 -0.67 2.04 -0.73 -0.53 117.51 118.56 1r6x h ILE 277 Ca 0.05 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 1r6x h ILE 277 Cb 0.13 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1r6x h ILE 277 CO -0.01 0.06 -0.13 0.03 0.00 0.00 0.00 178.15 178.10 1r6x h ARG 278 N 0.35 0.35 -0.55 2.37 -0.00 -0.70 -0.84 114.38 115.35 1r6x h ARG 278 Ca 0.10 -0.09 -0.07 0.00 -0.50 0.00 0.00 59.98 59.41 1r6x h ARG 278 Cb -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 29.97 29.87 1r6x h ARG 278 CO -0.02 0.49 0.07 -0.22 0.00 0.00 0.00 179.97 180.28 1r6x h LYS 279 N 0.33 0.92 -0.01 0.04 3.64 -0.52 -0.69 116.57 120.29 1r6x h LYS 279 Ca 0.06 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 1r6x h LYS 279 Cb 0.44 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1r6x h LYS 279 CO 0.03 0.90 -0.19 -0.91 -2.27 0.00 0.00 179.45 177.01 1r6x h ASN 280 N 0.81 0.01 -0.00 4.20 2.35 -0.23 -1.38 115.58 121.33 1r6x h ASN 280 Ca 0.16 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1r6x h ASN 280 Cb 0.44 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1r6x h ASN 280 CO 0.01 0.19 -0.00 -1.22 -1.65 0.00 0.00 177.43 174.77 1r6x n TYR 281 N -4.32 0.00 0.00 1.19 4.02 -0.41 -4.79 117.16 112.86 1r6x n TYR 281 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1r6x n TYR 281 Cb 0.25 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 1r6x n TYR 281 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1r6x n GLY 282 N 1.05 0.72 3.80 2.72 0.00 -0.52 -4.02 105.19 108.94 1r6x n GLY 282 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1r6x n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r6x s ALA 283 N -2.00 3.03 -0.03 4.61 0.00 -0.32 -4.26 121.76 122.80 1r6x s ALA 283 Ca 0.00 0.52 0.13 0.00 0.00 0.00 0.00 51.96 52.61 1r6x s ALA 283 Cb 0.00 -3.20 -0.20 0.00 0.00 0.00 0.00 23.12 19.72 1r6x s ALA 283 CO 0.00 -0.04 0.27 -1.13 0.00 0.00 0.00 175.76 174.86 1r6x n SER 284 N -0.45 2.04 -4.13 0.00 3.41 -0.13 -4.37 113.62 110.00 1r6x n SER 284 Ca 0.06 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.51 1r6x n SER 284 Cb 0.52 1.53 -0.12 0.00 -0.26 0.00 0.00 64.21 65.89 1r6x n SER 284 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1r6x s HIS 285 N -2.85 1.00 -0.03 7.33 3.76 -0.35 -1.22 115.29 122.93 1r6x s HIS 285 Ca -0.05 -0.48 -0.01 0.00 -0.15 0.00 0.00 55.06 54.38 1r6x s HIS 285 Cb 0.08 -0.57 0.03 0.00 1.11 0.00 0.00 32.58 33.23 1r6x s HIS 285 CO 0.53 0.00 0.05 0.12 -0.85 0.00 0.00 174.74 174.60 1r6x s PHE 286 N -1.32 -0.00 -0.04 1.40 5.36 -0.09 -1.03 117.98 122.26 1r6x s PHE 286 Ca -0.05 0.21 -0.29 0.00 -0.96 0.00 0.00 56.93 55.84 1r6x s PHE 286 Cb -0.10 -0.23 -0.03 0.00 -0.34 0.00 0.00 43.02 42.32 1r6x s PHE 286 CO 0.02 -0.11 0.93 0.42 -1.46 0.00 0.00 175.22 175.01 1r6x s ILE 287 N 1.19 4.88 -0.21 3.12 1.01 -0.87 -1.13 121.20 129.19 1r6x s ILE 287 Ca -0.08 1.93 -0.03 0.00 0.00 0.00 0.00 60.65 62.47 1r6x s ILE 287 Cb -0.13 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.08 1r6x s ILE 287 CO -0.04 0.13 -0.08 -0.69 0.00 0.00 0.00 174.94 174.27 1r6x s VAL 288 N 1.25 3.01 0.76 2.92 1.01 -0.54 -4.65 120.40 124.18 1r6x s VAL 288 Ca 0.48 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 1r6x s VAL 288 Cb -0.20 -2.36 0.10 0.00 0.00 0.00 0.00 36.38 33.92 1r6x s VAL 288 CO 0.23 0.44 1.08 -0.83 0.00 0.00 0.00 175.10 176.03 1r6x s GLY 289 N 1.42 1.70 0.11 4.51 0.00 -1.26 -1.36 107.32 112.45 1r6x s GLY 289 Ca 0.05 -1.04 -0.30 0.00 0.00 0.00 0.00 44.72 43.43 1r6x s GLY 289 CO -0.06 -0.54 1.22 -1.60 0.00 0.00 0.00 173.10 172.12 1r6x s ARG 290 N -5.38 4.44 -1.49 2.90 3.52 -1.26 -2.28 118.95 119.39 1r6x s ARG 290 Ca 0.63 1.84 -0.11 0.00 -0.13 0.00 0.00 55.73 57.96 1r6x s ARG 290 Cb -0.09 -3.30 0.07 0.00 -1.56 0.00 0.00 34.95 30.07 1r6x s ARG 290 CO 0.47 -0.22 0.93 -3.47 -0.81 0.00 0.00 175.30 172.19 1r6x n ASP 291 N 3.48 -4.11 -4.63 -2.12 2.03 0.46 -4.84 116.55 106.82 1r6x n ASP 291 Ca 0.08 -0.79 -0.50 0.00 0.52 0.00 0.00 54.79 54.10 1r6x n ASP 291 Cb 0.45 -3.92 -0.05 0.00 -0.72 0.00 0.00 41.12 36.88 1r6x n ASP 291 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1r6x n HIS 292 N -4.62 1.86 -2.21 -0.67 -0.00 -0.97 -0.92 115.22 107.70 1r6x n HIS 292 Ca -0.03 0.47 -0.13 0.00 -0.00 0.00 0.00 57.72 58.03 1r6x n HIS 292 Cb 0.56 -2.43 -0.02 0.00 -0.00 0.00 0.00 29.99 28.10 1r6x n HIS 292 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1r6x n ALA 293 N 3.16 -0.65 -2.42 1.57 0.00 -1.26 -4.02 120.51 116.89 1r6x n ALA 293 Ca 0.18 0.12 -0.34 0.00 0.00 0.00 0.00 53.44 53.41 1r6x n ALA 293 Cb 0.23 -1.48 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 1r6x n ALA 293 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1r6x s GLY 294 N -2.04 2.37 0.11 0.00 0.00 -0.09 -1.60 107.32 106.06 1r6x s GLY 294 Ca 0.00 -0.23 0.26 0.00 0.00 0.00 0.00 44.72 44.75 1r6x s GLY 294 CO 0.00 -0.02 1.80 -1.05 0.00 0.00 0.00 173.10 173.83 1r6x n PRO 295 N 0.44 0.12 0.00 2.90 -0.02 -1.26 -4.97 135.00 132.21 1r6x n PRO 295 Ca -0.03 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1r6x n PRO 295 Cb 0.52 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 1r6x n PRO 295 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r6x n GLY 296 N 1.09 0.82 3.37 -1.23 0.00 -1.26 -4.96 105.19 103.02 1r6x n GLY 296 Ca 0.06 -1.24 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 1r6x n GLY 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r6x s LYS 297 N 0.00 1.38 0.03 1.61 1.02 -1.26 -1.66 119.74 120.85 1r6x s LYS 297 Ca 0.00 -1.44 -0.00 0.00 0.02 0.00 0.00 55.97 54.54 1r6x s LYS 297 Cb 0.00 -1.58 0.01 0.00 -0.52 0.00 0.00 37.83 35.74 1r6x s LYS 297 CO 0.00 0.34 0.04 0.27 -0.92 0.00 0.00 175.35 175.08 1r6x n ASN 298 N 0.35 0.02 0.31 2.83 2.04 0.48 -4.85 115.26 116.43 1r6x n ASN 298 Ca -0.13 -1.02 0.18 0.00 -0.44 0.00 0.00 54.58 53.16 1r6x n ASN 298 Cb 0.56 -0.03 1.00 0.00 -2.53 0.00 0.00 39.78 38.78 1r6x n ASN 298 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 1r6x h SER 299 N -0.05 0.00 -0.64 0.53 4.64 -1.98 -1.63 113.55 114.42 1r6x h SER 299 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1r6x h SER 299 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1r6x h SER 299 CO 0.01 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 1r6x n LYS 300 N -3.56 3.57 -1.23 4.77 5.02 -1.26 -4.92 118.16 120.55 1r6x n LYS 300 Ca -0.03 -2.75 -0.07 0.00 -2.02 0.00 0.00 58.31 53.44 1r6x n LYS 300 Cb 0.10 -1.85 -0.03 0.00 -0.02 0.00 0.00 35.03 33.22 1r6x n LYS 300 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r6x n GLY 301 N 1.17 0.93 3.70 0.72 0.00 -0.61 -5.01 105.19 106.08 1r6x n GLY 301 Ca 0.25 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 1r6x n GLY 301 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r6x s VAL 302 N -2.27 5.33 0.30 1.61 1.01 -1.26 -4.80 120.40 120.33 1r6x s VAL 302 Ca 0.00 0.36 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 1r6x s VAL 302 Cb 0.00 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 1r6x s VAL 302 CO 0.00 0.36 1.41 -1.81 0.00 0.00 0.00 175.10 175.07 1r6x s ASP 303 N 0.73 6.62 0.23 3.32 1.01 -1.26 -0.38 116.67 126.93 1r6x s ASP 303 Ca 0.12 2.76 0.03 0.00 0.71 0.00 0.00 52.55 56.16 1r6x s ASP 303 Cb -0.13 -2.64 0.22 0.00 1.01 0.00 0.00 42.92 41.38 1r6x s ASP 303 CO 0.03 -0.69 1.55 -0.26 0.21 0.00 0.00 175.17 176.01 1r6x h PHE 304 N 4.11 0.40 -3.91 4.23 -1.00 -1.67 -3.45 116.94 115.64 1r6x h PHE 304 Ca -0.48 -0.15 -0.24 0.00 2.81 0.00 0.00 57.97 59.92 1r6x h PHE 304 Cb 1.22 -0.07 -0.18 0.00 3.61 0.00 0.00 35.95 40.53 1r6x h PHE 304 CO 0.57 0.82 -0.71 0.71 -1.61 0.00 0.00 178.31 178.09 1r6x s TYR 305 N -3.83 0.75 0.45 -0.55 1.51 -1.26 -5.03 117.35 109.39 1r6x s TYR 305 Ca -0.05 -0.74 -0.22 0.00 -1.01 0.00 0.00 57.07 55.06 1r6x s TYR 305 Cb 0.12 -0.45 -0.08 0.00 -0.11 0.00 0.00 41.96 41.44 1r6x s TYR 305 CO 0.81 -0.14 1.06 0.20 -1.11 0.00 0.00 175.55 176.37 1r6x s GLY 306 N -2.36 2.64 0.49 0.71 0.00 -1.26 -4.93 107.32 102.61 1r6x s GLY 306 Ca 0.01 0.69 0.23 0.00 0.00 0.00 0.00 44.72 45.65 1r6x s GLY 306 CO -0.03 1.07 1.94 -0.56 0.00 0.00 0.00 173.10 175.52 1r6x h PRO 307 N 1.97 0.15 -0.36 2.90 0.13 -1.99 -2.41 132.00 132.40 1r6x h PRO 307 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1r6x h PRO 307 Cb 1.22 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1r6x h PRO 307 CO 0.60 0.10 0.00 0.66 -0.23 0.00 0.00 178.00 179.13 1r6x n TYR 308 N -4.40 0.48 -0.19 1.56 4.02 -1.26 -0.40 117.16 116.97 1r6x n TYR 308 Ca 0.14 -0.47 -0.03 0.00 -0.01 0.00 0.00 57.90 57.53 1r6x n TYR 308 Cb 0.67 -0.02 0.07 0.00 -0.02 0.00 0.00 39.34 40.03 1r6x n TYR 308 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1r6x h ASP 309 N 2.25 0.41 -0.07 7.72 5.19 -1.81 -1.27 116.42 128.85 1r6x h ASP 309 Ca 0.00 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1r6x h ASP 309 Cb 0.74 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.20 1r6x h ASP 309 CO 0.00 0.27 0.03 0.00 -3.12 0.00 0.00 179.24 176.43 1r6x h ALA 310 N 1.31 0.08 -0.39 3.45 0.00 -1.81 -0.56 119.26 121.33 1r6x h ALA 310 Ca 0.25 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1r6x h ALA 310 Cb 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1r6x h ALA 310 CO -0.18 -0.36 0.16 0.37 0.00 0.00 0.00 179.25 179.24 1r6x h GLN 311 N -0.00 0.33 -0.64 0.00 4.15 -1.75 -1.21 115.11 115.98 1r6x h GLN 311 Ca 0.02 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1r6x h GLN 311 Cb 0.10 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 1r6x h GLN 311 CO -0.00 0.22 0.21 0.93 -1.93 0.00 0.00 178.83 178.26 1r6x h GLU 312 N 0.34 0.99 -0.23 1.69 5.08 -1.10 -0.73 114.58 120.62 1r6x h GLU 312 Ca 0.17 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1r6x h GLU 312 Cb 0.13 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1r6x h GLU 312 CO -0.16 0.86 -0.07 1.25 -1.00 0.00 0.00 179.01 179.90 1r6x h LEU 313 N 0.92 0.46 -0.63 1.33 5.85 -0.77 -1.71 115.31 120.76 1r6x h LEU 313 Ca 0.21 -0.38 -0.07 0.00 0.84 0.00 0.00 57.88 58.47 1r6x h LEU 313 Cb 0.28 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1r6x h LEU 313 CO -0.01 0.74 0.11 0.58 -0.34 0.00 0.00 178.44 179.51 1r6x h VAL 314 N 0.18 1.26 -1.01 1.05 2.07 -1.17 -2.47 116.25 116.16 1r6x h VAL 314 Ca 0.06 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.59 1r6x h VAL 314 Cb 0.54 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1r6x h VAL 314 CO 0.03 0.38 0.66 -0.08 0.02 0.00 0.00 177.57 178.58 1r6x h GLU 315 N 0.96 1.28 0.00 1.57 4.57 -1.06 0.25 114.58 122.15 1r6x h GLU 315 Ca 0.19 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 1r6x h GLU 315 Cb 0.43 -0.29 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1r6x h GLU 315 CO 0.01 0.85 -0.16 0.66 -1.18 0.00 0.00 179.01 179.19 1r6x h SER 316 N 1.32 0.00 -0.02 1.04 4.64 -0.86 -2.52 113.55 117.15 1r6x h SER 316 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1r6x h SER 316 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1r6x h SER 316 CO -0.11 0.16 -0.24 -1.22 -0.87 0.00 0.00 176.83 174.55 1r6x n TYR 317 N -3.71 0.00 -0.26 4.77 4.01 -0.70 -4.66 117.16 116.61 1r6x n TYR 317 Ca -0.02 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.78 1r6x n TYR 317 Cb 0.27 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.48 1r6x n TYR 317 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1r6x h LYS 318 N 3.12 0.14 -0.72 -0.72 2.10 -0.51 0.36 116.57 120.34 1r6x h LYS 318 Ca 0.00 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.59 1r6x h LYS 318 Cb 0.78 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 32.05 1r6x h LYS 318 CO 0.00 0.09 0.26 0.45 -2.00 0.00 0.00 179.45 178.25 1r6x h HIS 319 N 0.14 1.12 -0.03 0.07 3.86 -1.83 0.16 115.15 118.64 1r6x h HIS 319 Ca 0.42 -0.09 -0.15 0.00 -1.16 0.00 0.00 60.37 59.39 1r6x h HIS 319 Cb 0.75 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 1r6x h HIS 319 CO -0.37 0.87 -0.65 1.49 0.86 0.00 0.00 177.93 180.12 1r6x h GLU 320 N 1.06 0.13 0.00 2.45 4.81 -1.54 -3.06 114.58 118.43 1r6x h GLU 320 Ca 0.24 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1r6x h GLU 320 Cb 0.25 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1r6x h GLU 320 CO -0.01 0.74 -0.31 -0.07 -0.73 0.00 0.00 179.01 178.63 1r6x h LEU 321 N 0.09 0.00 -1.43 1.64 3.38 -0.62 -3.48 115.31 114.89 1r6x h LEU 321 Ca -0.01 -0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.58 1r6x h LEU 321 Cb 1.17 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.05 1r6x h LEU 321 CO 0.09 0.00 -0.76 -0.67 0.09 0.00 0.00 178.44 177.20 1r6x n ASP 322 N -2.94 -3.17 -4.04 -0.43 4.64 0.54 -4.99 116.55 106.16 1r6x n ASP 322 Ca 0.03 -0.65 -0.09 0.00 -1.38 0.00 0.00 54.79 52.71 1r6x n ASP 322 Cb 0.53 -4.83 -0.11 0.00 -1.04 0.00 0.00 41.12 35.67 1r6x n ASP 322 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 1r6x s ILE 323 N -3.40 0.21 -0.12 5.18 2.07 -1.13 -4.98 121.20 119.04 1r6x s ILE 323 Ca 0.19 -1.32 -0.06 0.00 -1.41 0.00 0.00 60.65 58.05 1r6x s ILE 323 Cb -0.09 -0.85 -0.04 0.00 0.13 0.00 0.00 42.46 41.62 1r6x s ILE 323 CO 0.75 -0.71 0.11 -0.70 -1.91 0.00 0.00 174.94 172.49 1r6x s GLU 324 N -2.55 3.37 -0.17 3.50 2.56 -0.36 -4.67 118.70 120.38 1r6x s GLU 324 Ca -0.05 -0.18 -0.12 0.00 0.00 0.00 0.00 54.97 54.62 1r6x s GLU 324 Cb -0.02 -3.12 -0.05 0.00 2.00 0.00 0.00 34.13 32.94 1r6x s GLU 324 CO -0.05 0.75 0.21 0.08 -0.56 0.00 0.00 175.26 175.70 1r6x s VAL 325 N -0.97 5.36 -0.30 3.70 1.01 -1.26 -0.91 120.40 127.03 1r6x s VAL 325 Ca 0.14 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.52 1r6x s VAL 325 Cb -0.12 -3.55 0.07 0.00 0.00 0.00 0.00 36.38 32.79 1r6x s VAL 325 CO 0.04 0.42 -0.03 -0.69 0.00 0.00 0.00 175.10 174.84 1r6x s VAL 326 N 0.34 2.38 0.31 2.92 1.01 -0.28 -4.93 120.40 122.15 1r6x s VAL 326 Ca 0.13 -1.84 -0.30 0.00 0.00 0.00 0.00 61.98 59.97 1r6x s VAL 326 Cb -0.12 -2.52 -0.12 0.00 0.00 0.00 0.00 36.38 33.62 1r6x s VAL 326 CO 0.01 -0.25 1.47 -2.65 0.00 0.00 0.00 175.10 173.68 1r6x n PRO 327 N 4.41 2.42 -1.83 2.72 -0.02 -1.26 -1.46 135.00 139.98 1r6x n PRO 327 Ca -0.08 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.84 1r6x n PRO 327 Cb 0.42 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 1r6x n PRO 327 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1r6x s PHE 328 N -0.44 1.59 -0.57 6.00 5.36 -0.46 -4.82 117.98 124.64 1r6x s PHE 328 Ca 0.61 -0.07 0.01 0.00 -0.96 0.00 0.00 56.93 56.52 1r6x s PHE 328 Cb -0.54 -4.08 0.15 0.00 -0.34 0.00 0.00 43.02 38.20 1r6x s PHE 328 CO 0.54 -4.63 0.35 1.03 -1.46 0.00 0.00 175.22 171.05 1r6x s ARG 329 N 4.45 2.26 0.46 10.12 0.52 -1.26 -4.82 118.95 130.68 1r6x s ARG 329 Ca 0.82 -2.59 -0.25 0.00 -0.52 0.00 0.00 55.73 53.20 1r6x s ARG 329 Cb -0.37 -3.51 -0.08 0.00 0.52 0.00 0.00 34.95 31.50 1r6x s ARG 329 CO 0.36 -1.14 1.34 -0.12 0.02 0.00 0.00 175.30 175.75 1r6x n MET 330 N 3.27 1.99 -4.33 3.54 0.00 -1.26 -4.78 117.12 115.55 1r6x n MET 330 Ca 0.06 0.71 -0.25 0.00 -0.00 0.00 0.00 57.70 58.23 1r6x n MET 330 Cb 0.35 -2.50 -0.09 0.00 0.00 0.00 0.00 33.22 30.98 1r6x n MET 330 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1r6x s VAL 331 N -1.22 3.08 0.26 1.12 -7.23 -1.26 -0.78 120.40 114.37 1r6x s VAL 331 Ca 0.63 -1.89 0.02 0.00 -1.81 0.00 0.00 61.98 58.92 1r6x s VAL 331 Cb -0.47 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 33.84 1r6x s VAL 331 CO 0.56 -0.24 0.09 0.28 -0.31 0.00 0.00 175.10 175.48 1r6x s THR 332 N -2.03 0.66 -0.19 5.32 -1.32 -0.25 -4.82 115.64 113.00 1r6x s THR 332 Ca 0.27 -2.00 -0.11 0.00 -1.21 0.00 0.00 61.69 58.64 1r6x s THR 332 Cb -0.07 -2.64 -0.05 0.00 -1.51 0.00 0.00 72.50 68.23 1r6x s THR 332 CO 0.16 -0.02 0.19 -0.47 -2.21 0.00 0.00 174.62 172.27 1r6x s TYR 333 N -3.68 3.41 -0.53 9.09 5.04 -1.23 -1.91 117.35 127.54 1r6x s TYR 333 Ca 0.37 0.40 -0.12 0.00 -2.44 0.00 0.00 57.07 55.28 1r6x s TYR 333 Cb 0.08 -2.23 0.13 0.00 0.35 0.00 0.00 41.96 40.29 1r6x s TYR 333 CO 0.14 0.25 0.44 -0.51 -1.34 0.00 0.00 175.55 174.52 1r6x s LEU 334 N 0.48 5.96 0.25 6.97 1.02 0.51 -0.81 118.68 133.06 1r6x s LEU 334 Ca 0.11 -1.95 -0.05 0.00 0.02 0.00 0.00 54.13 52.26 1r6x s LEU 334 Cb -0.12 -2.10 0.32 0.00 0.02 0.00 0.00 46.19 44.31 1r6x s LEU 334 CO 0.00 -0.74 1.87 1.55 0.02 0.00 0.00 176.35 179.05 1r6x h PRO 335 N 8.54 1.06 0.00 1.29 0.13 -1.84 0.19 132.00 141.36 1r6x h PRO 335 Ca -0.22 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1r6x h PRO 335 Cb 1.08 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1r6x h PRO 335 CO 0.92 0.70 0.00 -0.44 -0.23 0.00 0.00 178.00 178.95 1r6x h ASP 336 N 1.09 0.00 0.00 1.44 3.32 -1.93 -2.84 116.42 117.49 1r6x h ASP 336 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1r6x h ASP 336 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1r6x h ASP 336 CO -0.15 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.75 1r6x n GLU 337 N -2.32 0.54 -4.04 3.56 1.02 -0.97 -5.03 120.64 113.40 1r6x n GLU 337 Ca 0.01 -0.72 -0.40 0.00 -0.02 0.00 0.00 57.16 56.03 1r6x n GLU 337 Cb 0.17 -0.84 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 1r6x n GLU 337 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1r6x n ASP 338 N -0.15 -3.19 -3.88 1.62 4.64 0.61 -4.95 116.55 111.25 1r6x n ASP 338 Ca 0.00 -1.22 -0.09 0.00 -1.38 0.00 0.00 54.79 52.10 1r6x n ASP 338 Cb 0.19 -2.08 -0.04 0.00 -1.04 0.00 0.00 41.12 38.15 1r6x n ASP 338 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1r6x s ARG 339 N -7.10 1.52 -0.03 -0.67 1.70 -1.07 -5.01 118.95 108.29 1r6x s ARG 339 Ca 0.37 -1.07 0.00 0.00 -0.47 0.00 0.00 55.73 54.57 1r6x s ARG 339 Cb -0.19 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.67 1r6x s ARG 339 CO 0.95 -0.65 -0.01 0.71 -1.08 0.00 0.00 175.30 175.23 1r6x s TYR 340 N -3.95 3.09 0.01 5.89 1.51 -1.26 -0.36 117.35 122.27 1r6x s TYR 340 Ca 0.15 0.11 -0.15 0.00 -1.01 0.00 0.00 57.07 56.17 1r6x s TYR 340 Cb -0.02 -1.71 0.02 0.00 -0.11 0.00 0.00 41.96 40.15 1r6x s TYR 340 CO 0.04 0.45 0.32 0.00 -1.11 0.00 0.00 175.55 175.25 1r6x s ALA 341 N -1.00 -0.77 0.34 3.71 0.00 -0.80 -4.97 121.76 118.27 1r6x s ALA 341 Ca 0.17 0.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.08 1r6x s ALA 341 Cb -0.11 0.16 -0.11 0.00 0.00 0.00 0.00 23.12 23.06 1r6x s ALA 341 CO 0.07 -0.32 1.55 -2.14 0.00 0.00 0.00 175.76 174.92 1r6x s PRO 342 N -1.75 4.10 0.52 0.00 0.02 -1.26 -1.10 135.00 135.53 1r6x s PRO 342 Ca -0.11 2.60 0.18 0.00 0.02 0.00 0.00 61.00 63.69 1r6x s PRO 342 Cb -0.04 -2.99 1.31 0.00 0.02 0.00 0.00 34.50 32.80 1r6x s PRO 342 CO 0.02 -0.60 2.14 0.82 -0.33 0.00 0.00 177.00 179.05 1r6x h ILE 343 N 3.16 0.95 -0.40 2.83 2.04 -1.28 -0.62 117.51 124.19 1r6x h ILE 343 Ca -0.49 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.30 1r6x h ILE 343 Cb 1.23 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1r6x h ILE 343 CO 0.71 0.00 -0.03 0.44 0.00 0.00 0.00 178.15 179.27 1r6x h ASP 344 N 0.00 0.72 -0.61 1.72 3.32 -1.90 -2.60 116.42 117.08 1r6x h ASP 344 Ca 0.03 -0.33 0.18 0.00 0.02 0.00 0.00 57.03 56.93 1r6x h ASP 344 Cb 0.12 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1r6x h ASP 344 CO -0.00 0.87 0.48 -0.61 -1.72 0.00 0.00 179.24 178.26 1r6x h GLN 345 N 0.55 0.00 -5.05 3.56 5.75 -1.47 -3.33 115.11 115.13 1r6x h GLN 345 Ca 0.11 0.00 -0.68 0.00 -0.15 0.00 0.00 58.65 57.93 1r6x h GLN 345 Cb 0.52 0.00 -0.17 0.00 1.07 0.00 0.00 27.48 28.90 1r6x h GLN 345 CO 0.03 0.00 0.78 0.42 -2.65 0.00 0.00 178.83 177.41 1r6x s ILE 346 N -4.90 4.69 0.88 2.39 -1.09 -0.98 -5.03 121.20 117.17 1r6x s ILE 346 Ca -0.05 -1.44 -0.11 0.00 -2.23 0.00 0.00 60.65 56.82 1r6x s ILE 346 Cb 0.19 -4.76 0.12 0.00 -1.58 0.00 0.00 42.46 36.43 1r6x s ILE 346 CO 0.70 -1.49 1.10 -0.62 -1.23 0.00 0.00 174.94 173.40 1r6x s ASP 347 N 3.63 3.49 -1.06 3.58 2.15 -1.25 -4.80 116.67 122.41 1r6x s ASP 347 Ca 0.31 1.80 -0.26 0.00 0.43 0.00 0.00 52.55 54.83 1r6x s ASP 347 Cb -0.07 -2.41 -0.19 0.00 -0.30 0.00 0.00 42.92 39.95 1r6x s ASP 347 CO -0.07 -2.67 2.11 -0.89 -0.17 0.00 0.00 175.17 173.48 1r6x s THR 348 N -2.81 3.13 0.00 1.71 2.01 -1.26 -4.69 115.64 113.73 1r6x s THR 348 Ca 0.64 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.43 1r6x s THR 348 Cb -0.19 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.33 1r6x s THR 348 CO 0.58 -0.25 0.00 1.07 -0.69 0.00 0.00 174.62 175.33 1r6x n THR 349 N 8.76 0.00 -3.16 -0.82 5.66 -1.26 -5.07 114.28 118.40 1r6x n THR 349 Ca 0.43 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 61.00 1r6x n THR 349 Cb 0.46 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.24 1r6x n THR 349 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1r6x n LYS 350 N 0.00 4.03 -3.73 1.09 0.00 -1.26 -4.95 118.16 113.33 1r6x n LYS 350 Ca 0.00 -4.53 -0.22 0.00 0.00 0.00 0.00 58.31 53.56 1r6x n LYS 350 Cb 0.00 -2.51 -0.18 0.00 0.00 0.00 0.00 35.03 32.35 1r6x n LYS 350 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1r6x s THR 351 N -2.26 0.18 0.15 3.15 2.01 -1.26 -5.15 115.64 112.45 1r6x s THR 351 Ca 0.31 0.23 -0.16 0.00 0.31 0.00 0.00 61.69 62.38 1r6x s THR 351 Cb 0.00 -0.39 -0.07 0.00 0.01 0.00 0.00 72.50 72.05 1r6x s THR 351 CO 0.03 0.22 0.59 -0.60 -0.69 0.00 0.00 174.62 174.16 1r6x s ARG 352 N 2.05 4.07 0.03 4.92 3.52 -1.26 -5.10 118.95 127.19 1r6x s ARG 352 Ca 0.05 0.61 -0.00 0.00 -0.13 0.00 0.00 55.73 56.26 1r6x s ARG 352 Cb -0.12 -2.98 -0.03 0.00 -1.56 0.00 0.00 34.95 30.26 1r6x s ARG 352 CO -0.04 0.50 -0.03 0.95 -0.81 0.00 0.00 175.30 175.86 1r6x s THR 353 N -1.40 0.18 -0.13 4.11 -4.23 -1.26 -4.23 115.64 108.68 1r6x s THR 353 Ca 0.37 -1.23 -0.01 0.00 -1.18 0.00 0.00 61.69 59.64 1r6x s THR 353 Cb -0.16 -0.71 -0.02 0.00 1.34 0.00 0.00 72.50 72.95 1r6x s THR 353 CO 0.19 -0.66 -0.09 -0.76 -0.54 0.00 0.00 174.62 172.77 1r6x s LEU 354 N -1.96 2.99 0.07 4.79 1.43 0.01 -4.97 118.68 121.04 1r6x s LEU 354 Ca -0.08 -0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 52.73 1r6x s LEU 354 Cb -0.04 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.49 1r6x s LEU 354 CO -0.04 0.20 0.20 0.20 0.23 0.00 0.00 176.35 177.14 1r6x s ASN 355 N 0.14 0.08 -0.16 2.29 0.01 -1.26 -3.53 114.94 112.50 1r6x s ASN 355 Ca -0.04 -0.53 -0.01 0.00 -0.71 0.00 0.00 52.86 51.56 1r6x s ASN 355 Cb -0.14 0.33 0.05 0.00 0.41 0.00 0.00 41.25 41.89 1r6x s ASN 355 CO 0.04 -0.67 -0.01 -0.63 -1.51 0.00 0.00 177.10 174.32 1r6x s ILE 356 N -3.38 0.78 0.85 0.60 1.01 -1.26 -5.13 121.20 114.66 1r6x s ILE 356 Ca 0.01 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 1r6x s ILE 356 Cb 0.03 -1.09 0.10 0.00 0.01 0.00 0.00 42.46 41.51 1r6x s ILE 356 CO -0.08 0.01 1.11 -0.94 0.00 0.00 0.00 174.94 175.03 1r6x s SER 357 N 1.76 3.72 0.33 3.58 1.04 -1.26 -4.78 113.70 118.10 1r6x s SER 357 Ca 0.00 1.94 0.01 0.00 0.48 0.00 0.00 55.95 58.38 1r6x s SER 357 Cb -0.16 -2.51 0.56 0.00 0.10 0.00 0.00 66.02 64.02 1r6x s SER 357 CO -0.07 -2.55 1.99 1.23 0.98 0.00 0.00 173.24 174.82 1r6x h GLY 358 N -1.49 0.99 0.83 7.32 0.00 -2.00 -0.32 103.07 108.40 1r6x h GLY 358 Ca -0.44 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.51 1r6x h GLY 358 CO 0.48 0.36 -0.05 -0.84 0.00 0.00 0.00 176.54 176.49 1r6x h THR 359 N 0.95 1.00 -0.85 4.70 2.02 -1.99 -0.97 112.91 117.77 1r6x h THR 359 Ca 0.26 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1r6x h THR 359 Cb -0.10 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1r6x h THR 359 CO -0.05 0.09 0.46 -0.08 0.37 0.00 0.00 175.52 176.31 1r6x h GLU 360 N -0.31 1.20 -0.12 6.66 4.57 -1.84 -1.76 114.58 122.98 1r6x h GLU 360 Ca -0.01 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1r6x h GLU 360 Cb 0.26 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1r6x h GLU 360 CO 0.02 0.88 0.06 1.25 -1.18 0.00 0.00 179.01 180.05 1r6x h LEU 361 N 1.19 0.15 -0.52 1.64 5.85 -0.95 -1.15 115.31 121.52 1r6x h LEU 361 Ca 0.30 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.97 1r6x h LEU 361 Cb 0.04 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1r6x h LEU 361 CO -0.05 0.20 0.27 -0.09 -0.34 0.00 0.00 178.44 178.43 1r6x h ARG 362 N 0.09 0.50 -0.36 1.25 2.43 -0.92 -1.93 114.38 115.44 1r6x h ARG 362 Ca 0.04 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 1r6x h ARG 362 Cb 0.09 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1r6x h ARG 362 CO -0.01 0.33 -0.25 0.00 -1.51 0.00 0.00 179.97 178.54 1r6x h ARG 363 N 0.52 0.72 -0.40 0.20 3.08 -1.16 -2.84 114.38 114.49 1r6x h ARG 363 Ca 0.23 -0.30 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 1r6x h ARG 363 Cb 0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1r6x h ARG 363 CO -0.16 0.89 -0.12 0.00 -1.07 0.00 0.00 179.97 179.52 1r6x h ARG 364 N 0.62 0.78 0.00 0.04 3.08 -0.94 -2.90 114.38 115.07 1r6x h ARG 364 Ca 0.08 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 1r6x h ARG 364 Cb 0.75 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 1r6x h ARG 364 CO 0.06 0.93 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.74 1r6x h LEU 365 N 0.60 0.00 0.00 3.04 3.38 -1.30 0.53 115.31 121.56 1r6x h LEU 365 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1r6x h LEU 365 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1r6x h LEU 365 CO 0.04 0.07 -0.26 0.03 0.09 0.00 0.00 178.44 178.42 1r6x h ARG 366 N 0.00 0.00 -0.08 1.13 3.08 -1.31 -3.26 114.38 113.94 1r6x h ARG 366 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1r6x h ARG 366 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1r6x h ARG 366 CO 0.01 0.00 0.00 1.33 -1.07 0.00 0.00 179.97 180.24 1r6x n VAL 367 N -2.32 0.99 -2.18 2.04 0.24 -0.77 -4.98 118.33 111.35 1r6x n VAL 367 Ca 0.04 -1.00 -0.11 0.00 -2.04 0.00 0.00 64.34 61.24 1r6x n VAL 367 Cb 0.45 0.50 -0.01 0.00 -1.47 0.00 0.00 33.84 33.32 1r6x n VAL 367 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1r6x n GLY 368 N -0.28 -0.04 3.77 7.63 0.00 -0.14 -4.99 105.19 111.14 1r6x n GLY 368 Ca 0.03 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 1r6x n GLY 368 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r6x s GLY 369 N -2.52 2.94 0.48 -0.02 0.00 0.17 -5.00 107.32 103.37 1r6x s GLY 369 Ca 0.00 0.75 -0.24 0.00 0.00 0.00 0.00 44.72 45.23 1r6x s GLY 369 CO 0.00 1.27 1.34 -0.54 0.00 0.00 0.00 173.10 175.18 1r6x s GLU 370 N -1.81 3.53 -0.17 2.90 8.01 -1.26 -4.59 118.70 125.30 1r6x s GLU 370 Ca 0.49 2.21 0.01 0.00 0.01 0.00 0.00 54.97 57.69 1r6x s GLU 370 Cb -0.26 -2.48 0.02 0.00 -4.31 0.00 0.00 34.13 27.10 1r6x s GLU 370 CO 0.33 -0.87 -0.20 0.42 0.01 0.00 0.00 175.26 174.95 1r6x s ILE 371 N -1.30 2.04 0.55 -1.63 -1.09 -1.26 -5.05 121.20 113.47 1r6x s ILE 371 Ca 0.65 -0.93 -0.21 0.00 -2.23 0.00 0.00 60.65 57.92 1r6x s ILE 371 Cb -0.39 -1.84 -0.05 0.00 -1.58 0.00 0.00 42.46 38.60 1r6x s ILE 371 CO 0.48 0.54 1.36 -2.16 -1.23 0.00 0.00 174.94 173.94 1r6x s PRO 372 N 1.23 3.09 0.55 2.79 0.04 -1.26 -4.88 135.00 136.55 1r6x s PRO 372 Ca 0.03 2.25 0.33 0.00 0.04 0.00 0.00 61.00 63.65 1r6x s PRO 372 Cb -0.13 -2.23 1.50 0.00 0.04 0.00 0.00 34.50 33.68 1r6x s PRO 372 CO -0.11 -1.24 2.04 0.93 0.04 0.00 0.00 177.00 178.67 1r6x h GLU 373 N 1.39 0.00 0.00 4.56 5.08 -1.98 -1.63 114.58 122.00 1r6x h GLU 373 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1r6x h GLU 373 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1r6x h GLU 373 CO 0.57 0.05 0.00 0.11 -1.00 0.00 0.00 179.01 178.74 1r6x h TRP 374 N 0.00 0.00 0.05 4.33 5.08 -2.02 -3.19 115.95 120.20 1r6x h TRP 374 Ca -0.00 0.00 -0.32 0.00 1.08 0.00 0.00 58.89 59.65 1r6x h TRP 374 Cb 0.43 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.56 1r6x h TRP 374 CO 0.00 0.00 -1.76 0.34 -1.28 0.00 0.00 178.44 175.74 1r6x n PHE 375 N -2.54 0.96 -3.58 0.12 7.35 -0.63 -4.85 117.46 114.29 1r6x n PHE 375 Ca 0.02 0.30 -0.16 0.00 -0.76 0.00 0.00 57.45 56.85 1r6x n PHE 375 Cb 0.29 -1.11 -0.06 0.00 0.35 0.00 0.00 39.48 38.94 1r6x n PHE 375 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1r6x s SER 376 N -6.97 -0.52 0.36 -2.13 0.15 -1.08 -2.10 113.70 101.41 1r6x s SER 376 Ca -0.28 0.46 -0.28 0.00 0.70 0.00 0.00 55.95 56.56 1r6x s SER 376 Cb 0.07 0.48 -0.11 0.00 -1.71 0.00 0.00 66.02 64.76 1r6x s SER 376 CO 0.66 -0.61 1.40 -0.31 1.20 0.00 0.00 173.24 175.58 1r6x s TYR 377 N -1.53 2.79 0.28 3.44 1.51 -1.26 -4.24 117.35 118.35 1r6x s TYR 377 Ca -0.10 1.29 0.02 0.00 -1.01 0.00 0.00 57.07 57.27 1r6x s TYR 377 Cb -0.01 -3.86 0.61 0.00 -0.11 0.00 0.00 41.96 38.59 1r6x s TYR 377 CO 0.06 -2.46 1.79 -1.35 -1.11 0.00 0.00 175.55 172.48 1r6x h PRO 378 N 3.13 0.76 -0.13 -1.71 0.11 -1.93 -0.86 132.00 131.38 1r6x h PRO 378 Ca -0.50 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 1r6x h PRO 378 Cb 1.23 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1r6x h PRO 378 CO 0.65 0.51 -0.26 0.93 -0.21 0.00 0.00 178.00 179.61 1r6x h GLU 379 N 0.79 0.23 -0.04 1.05 3.07 -2.00 -1.54 114.58 116.14 1r6x h GLU 379 Ca 0.52 -0.08 -0.14 0.00 -0.50 0.00 0.00 59.36 59.16 1r6x h GLU 379 Cb 0.69 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.59 1r6x h GLU 379 CO -0.34 0.48 -0.52 0.28 -1.40 0.00 0.00 179.01 177.52 1r6x h VAL 380 N 0.21 1.41 -0.94 3.13 2.07 -1.59 -3.12 116.25 117.43 1r6x h VAL 380 Ca 0.03 -1.95 0.05 0.00 0.82 0.00 0.00 66.70 65.66 1r6x h VAL 380 Cb 0.58 2.44 -0.06 0.00 -1.52 0.00 0.00 31.29 32.73 1r6x h VAL 380 CO 0.04 0.57 0.60 0.58 0.02 0.00 0.00 177.57 179.38 1r6x h VAL 381 N -0.06 1.10 -0.98 2.57 2.07 -1.03 -1.63 116.25 118.28 1r6x h VAL 381 Ca -0.05 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.15 1r6x h VAL 381 Cb 1.20 -0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 1r6x h VAL 381 CO 0.10 0.20 0.63 0.50 0.02 0.00 0.00 177.57 179.03 1r6x h LYS 382 N 1.11 1.12 -0.19 1.57 1.63 -1.30 0.14 116.57 120.65 1r6x h LYS 382 Ca 0.40 -0.07 -0.07 0.00 -0.85 0.00 0.00 60.65 60.06 1r6x h LYS 382 Cb 0.12 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 1r6x h LYS 382 CO -0.16 0.74 -0.20 0.82 -3.45 0.00 0.00 179.45 177.20 1r6x h ILE 383 N 1.16 1.23 0.00 2.00 2.04 -1.24 -2.57 117.51 120.13 1r6x h ILE 383 Ca 0.42 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1r6x h ILE 383 Cb 0.15 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1r6x h ILE 383 CO -0.17 0.33 -0.57 -0.07 0.00 0.00 0.00 178.15 177.68 1r6x h LEU 384 N 0.31 0.00 -9.23 1.44 3.38 -1.00 -3.42 115.31 106.79 1r6x h LEU 384 Ca 0.05 -0.15 -0.55 0.00 0.09 0.00 0.00 57.88 57.33 1r6x h LEU 384 Cb 0.54 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1r6x h LEU 384 CO 0.04 0.07 1.31 -0.60 0.09 0.00 0.00 178.44 179.35 1r6x s ARG 385 N -3.19 3.80 -0.86 1.13 6.06 0.39 -2.71 118.95 123.58 1r6x s ARG 385 Ca 0.06 2.40 -0.00 0.00 -2.50 0.00 0.00 55.73 55.68 1r6x s ARG 385 Cb 0.12 -4.23 0.00 0.00 0.06 0.00 0.00 34.95 30.91 1r6x s ARG 385 CO 0.71 -1.34 0.02 0.39 -2.50 0.00 0.00 175.30 172.59 1r6x n GLU 386 N 7.94 -2.44 0.00 5.12 4.71 -1.23 -5.01 120.64 129.73 1r6x n GLU 386 Ca 0.23 0.47 0.06 0.00 -0.01 0.00 0.00 57.16 57.91 1r6x n GLU 386 Cb 0.42 -5.06 0.36 0.00 -1.01 0.00 0.00 31.44 26.16 1r6x n GLU 386 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65