#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aa9 s GLU 2 N 0.00 3.02 0.11 2.12 2.02 -1.26 -4.89 118.70 119.82 2aa9 s GLU 2 Ca 0.00 1.21 -0.17 0.00 0.02 0.00 0.00 54.97 56.03 2aa9 s GLU 2 Cb 0.00 -1.99 0.04 0.00 0.10 0.00 0.00 34.13 32.28 2aa9 s GLU 2 CO 0.00 -1.05 0.42 -1.54 0.02 0.00 0.00 175.26 173.11 2aa9 s SER 3 N -2.96 -0.27 -0.03 -0.19 1.04 -1.26 -0.46 113.70 109.57 2aa9 s SER 3 Ca 0.63 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.85 2aa9 s SER 3 Cb -0.17 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.44 2aa9 s SER 3 CO 0.43 -0.83 -0.06 -0.22 0.98 0.00 0.00 173.24 173.54 2aa9 s LEU 4 N -2.65 1.59 -0.19 2.42 0.20 -0.60 -4.92 118.68 114.53 2aa9 s LEU 4 Ca 0.01 -0.15 -0.05 0.00 0.69 0.00 0.00 54.13 54.63 2aa9 s LEU 4 Cb 0.01 -0.47 -0.03 0.00 -0.43 0.00 0.00 46.19 45.28 2aa9 s LEU 4 CO -0.10 0.01 0.00 -0.89 -0.29 0.00 0.00 176.35 175.07 2aa9 s THR 5 N 0.52 4.07 -0.23 3.68 2.01 -1.26 -0.14 115.64 124.28 2aa9 s THR 5 Ca -0.07 -0.28 -0.12 0.00 0.31 0.00 0.00 61.69 61.52 2aa9 s THR 5 Cb -0.11 -2.83 -0.05 0.00 0.01 0.00 0.00 72.50 69.53 2aa9 s THR 5 CO 0.00 0.45 0.24 -0.76 -0.69 0.00 0.00 174.62 173.86 2aa9 s LEU 6 N 0.75 4.12 0.58 4.42 1.43 0.18 -4.96 118.68 125.19 2aa9 s LEU 6 Ca 0.00 0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 2aa9 s LEU 6 Cb -0.14 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 2aa9 s LEU 6 CO 0.02 0.01 0.98 -1.10 0.23 0.00 0.00 176.35 176.49 2aa9 s GLN 7 N 1.22 3.63 0.27 1.70 -0.21 -1.26 -2.22 119.66 122.78 2aa9 s GLN 7 Ca 0.11 0.69 -0.30 0.00 0.02 0.00 0.00 55.36 55.88 2aa9 s GLN 7 Cb -0.14 -2.14 -0.14 0.00 1.00 0.00 0.00 33.01 31.60 2aa9 s GLN 7 CO 0.06 -0.47 1.21 -2.30 -2.12 0.00 0.00 175.29 171.66 2aa9 n PRO 8 N -2.53 1.67 -3.76 2.91 -0.02 -1.26 -4.90 135.00 127.12 2aa9 n PRO 8 Ca 0.05 0.59 -0.37 0.00 -2.02 0.00 0.00 63.50 61.75 2aa9 n PRO 8 Cb 0.54 -2.11 -0.13 0.00 -0.02 0.00 0.00 33.50 31.79 2aa9 n PRO 8 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2aa9 s ILE 9 N -0.63 4.06 0.25 4.25 1.01 0.46 -5.00 121.20 125.59 2aa9 s ILE 9 Ca 0.63 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.79 2aa9 s ILE 9 Cb -0.69 -3.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 2aa9 s ILE 9 CO 0.56 0.16 1.59 0.00 0.00 0.00 0.00 174.94 177.25 2aa9 h ALA 10 N 8.24 0.90 -1.83 9.38 0.00 -1.81 -3.40 119.26 130.73 2aa9 h ALA 10 Ca -0.34 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.07 2aa9 h ALA 10 Cb 1.14 -0.09 -0.21 0.00 0.00 0.00 0.00 17.79 18.64 2aa9 h ALA 10 CO 0.60 0.69 0.35 0.50 0.00 0.00 0.00 179.25 181.40 2aa9 s ARG 11 N -3.87 0.85 0.04 0.00 3.52 -1.09 -4.99 118.95 113.42 2aa9 s ARG 11 Ca -0.04 0.18 0.08 0.00 -0.13 0.00 0.00 55.73 55.82 2aa9 s ARG 11 Cb 0.12 0.40 -0.03 0.00 -1.56 0.00 0.00 34.95 33.89 2aa9 s ARG 11 CO 0.79 -0.27 -0.24 0.14 -0.81 0.00 0.00 175.30 174.91 2aa9 s VAL 12 N -1.25 1.94 -0.28 7.11 -7.23 -0.63 -0.26 120.40 119.79 2aa9 s VAL 12 Ca -0.06 -1.30 -0.25 0.00 -1.81 0.00 0.00 61.98 58.56 2aa9 s VAL 12 Cb -0.00 -1.67 0.13 0.00 0.56 0.00 0.00 36.38 35.40 2aa9 s VAL 12 CO 0.05 0.31 1.05 -0.62 -0.31 0.00 0.00 175.10 175.59 2aa9 s ASP 13 N -1.19 -0.43 0.00 4.85 -1.08 -0.47 -4.00 116.67 114.34 2aa9 s ASP 13 Ca 0.10 0.83 0.00 0.00 -0.52 0.00 0.00 52.55 52.96 2aa9 s ASP 13 Cb -0.09 0.85 0.00 0.00 -1.46 0.00 0.00 42.92 42.21 2aa9 s ASP 13 CO 0.02 -0.14 0.00 0.61 0.52 0.00 0.00 175.17 176.18 2aa9 n GLY 14 N 2.20 0.30 3.09 2.66 0.00 -0.57 -4.53 105.19 108.34 2aa9 n GLY 14 Ca -0.12 -1.69 -0.24 0.00 0.00 0.00 0.00 46.02 43.97 2aa9 n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aa9 s THR 15 N -2.45 1.21 -0.12 2.61 2.01 -1.26 -0.93 115.64 116.71 2aa9 s THR 15 Ca 0.00 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.43 2aa9 s THR 15 Cb 0.00 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 71.48 2aa9 s THR 15 CO 0.00 0.35 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.45 2aa9 s ILE 16 N 0.03 1.89 -0.43 1.82 -1.09 0.28 -4.95 121.20 118.76 2aa9 s ILE 16 Ca -0.02 -0.90 -0.21 0.00 -2.23 0.00 0.00 60.65 57.29 2aa9 s ILE 16 Cb -0.10 -1.67 0.02 0.00 -1.58 0.00 0.00 42.46 39.13 2aa9 s ILE 16 CO 0.01 0.52 0.65 0.20 -1.23 0.00 0.00 174.94 175.09 2aa9 s ASN 17 N 0.70 6.34 0.53 3.58 0.01 -1.26 -0.74 114.94 124.10 2aa9 s ASN 17 Ca -0.11 -0.27 -0.21 0.00 -0.71 0.00 0.00 52.86 51.55 2aa9 s ASN 17 Cb -0.16 -2.32 -0.05 0.00 0.41 0.00 0.00 41.25 39.12 2aa9 s ASN 17 CO 0.02 -0.77 1.26 -0.76 -1.51 0.00 0.00 177.10 175.35 2aa9 s LEU 18 N 2.83 3.86 0.78 0.60 1.43 -0.82 -4.94 118.68 122.42 2aa9 s LEU 18 Ca 0.23 2.54 -0.11 0.00 -1.03 0.00 0.00 54.13 55.76 2aa9 s LEU 18 Cb -0.14 -4.34 0.06 0.00 0.03 0.00 0.00 46.19 41.80 2aa9 s LEU 18 CO 0.19 -1.38 1.09 -2.16 0.23 0.00 0.00 176.35 174.31 2aa9 s PRO 19 N -2.94 2.23 0.78 1.29 0.04 -1.26 -4.74 135.00 130.40 2aa9 s PRO 19 Ca 0.70 0.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 2aa9 s PRO 19 Cb -0.35 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.34 2aa9 s PRO 19 CO 0.40 -1.56 1.14 0.20 0.04 0.00 0.00 177.00 177.22 2aa9 s GLY 20 N -3.75 1.94 0.04 0.56 0.00 -1.25 -0.65 107.32 104.22 2aa9 s GLY 20 Ca 0.60 0.56 -0.31 0.00 0.00 0.00 0.00 44.72 45.58 2aa9 s GLY 20 CO 0.55 0.94 1.44 -0.45 0.00 0.00 0.00 173.10 175.58 2aa9 s SER 21 N -2.71 6.80 0.12 1.64 0.15 0.29 -4.11 113.70 115.89 2aa9 s SER 21 Ca 0.67 2.23 -0.17 0.00 0.70 0.00 0.00 55.95 59.38 2aa9 s SER 21 Cb -0.22 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.49 2aa9 s SER 21 CO 0.51 -0.73 1.67 0.50 1.20 0.00 0.00 173.24 176.39 2aa9 h LYS 22 N 7.62 0.51 -0.49 5.44 3.11 -1.91 0.27 116.57 131.12 2aa9 h LYS 22 Ca -0.40 -0.09 0.01 0.00 -2.81 0.00 0.00 60.65 57.36 2aa9 h LYS 22 Cb 1.19 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 32.31 2aa9 h LYS 22 CO 0.90 0.50 0.31 0.77 -2.81 0.00 0.00 179.45 179.12 2aa9 h SER 23 N 0.41 0.52 -0.19 4.20 0.02 -1.99 -1.73 113.55 114.79 2aa9 h SER 23 Ca 0.11 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 2aa9 h SER 23 Cb 0.18 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2aa9 h SER 23 CO -0.01 0.37 -0.35 0.58 -1.14 0.00 0.00 176.83 176.29 2aa9 h VAL 24 N 0.63 1.33 -0.14 2.27 2.07 -1.94 -3.05 116.25 117.42 2aa9 h VAL 24 Ca 0.19 -1.57 0.04 0.00 0.82 0.00 0.00 66.70 66.17 2aa9 h VAL 24 Cb -0.04 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 2aa9 h VAL 24 CO -0.06 0.48 -0.10 0.28 0.02 0.00 0.00 177.57 178.19 2aa9 h SER 25 N 0.24 -0.32 0.37 0.57 0.02 -0.68 0.11 113.55 113.86 2aa9 h SER 25 Ca 0.01 0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 60.89 2aa9 h SER 25 Cb 0.94 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 2aa9 h SER 25 CO 0.08 -0.13 -0.57 0.78 -1.14 0.00 0.00 176.83 175.84 2aa9 h ASN 26 N -0.10 0.23 -0.29 3.07 2.35 -1.42 -0.66 115.58 118.76 2aa9 h ASN 26 Ca 0.09 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 2aa9 h ASN 26 Cb 0.24 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 2aa9 h ASN 26 CO -0.21 0.75 -0.08 0.03 -1.65 0.00 0.00 177.43 176.27 2aa9 h ARG 27 N 0.16 0.56 -0.59 0.81 3.08 -1.37 -2.56 114.38 114.47 2aa9 h ARG 27 Ca -0.00 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 59.77 2aa9 h ARG 27 Cb 1.05 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.05 2aa9 h ARG 27 CO 0.09 0.77 0.14 0.00 -1.07 0.00 0.00 179.97 179.90 2aa9 h ALA 28 N 0.77 1.14 -0.39 0.04 0.00 -0.56 -1.22 119.26 119.05 2aa9 h ALA 28 Ca 0.07 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2aa9 h ALA 28 Cb 0.57 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2aa9 h ALA 28 CO 0.03 0.58 0.02 -0.07 0.00 0.00 0.00 179.25 179.81 2aa9 h LEU 29 N 0.87 0.66 -0.41 0.00 3.38 -1.07 0.57 115.31 119.31 2aa9 h LEU 29 Ca 0.19 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2aa9 h LEU 29 Cb 0.32 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2aa9 h LEU 29 CO 0.00 0.79 0.05 0.25 0.09 0.00 0.00 178.44 179.62 2aa9 h LEU 30 N 0.50 0.67 -0.60 1.67 5.85 -1.25 -1.26 115.31 120.89 2aa9 h LEU 30 Ca 0.11 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 2aa9 h LEU 30 Cb 0.45 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2aa9 h LEU 30 CO 0.02 0.78 0.06 -0.07 -0.34 0.00 0.00 178.44 178.89 2aa9 h LEU 31 N 0.54 0.98 -1.21 2.25 3.38 -1.16 -1.49 115.31 118.60 2aa9 h LEU 31 Ca 0.12 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2aa9 h LEU 31 Cb 0.40 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2aa9 h LEU 31 CO 0.01 1.01 0.48 0.00 0.09 0.00 0.00 178.44 180.03 2aa9 h ALA 32 N 1.00 1.42 -0.25 1.53 0.00 -0.75 0.11 119.26 122.33 2aa9 h ALA 32 Ca 0.18 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2aa9 h ALA 32 Cb 0.47 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2aa9 h ALA 32 CO 0.02 0.52 -0.35 0.00 0.00 0.00 0.00 179.25 179.44 2aa9 h ALA 33 N 1.50 0.94 0.00 0.00 0.00 -0.81 -2.99 119.26 117.89 2aa9 h ALA 33 Ca 0.27 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2aa9 h ALA 33 Cb -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2aa9 h ALA 33 CO -0.06 0.62 -0.45 -0.07 0.00 0.00 0.00 179.25 179.29 2aa9 h LEU 34 N 0.45 0.00-10.43 0.00 3.38 -0.73 0.18 115.31 108.17 2aa9 h LEU 34 Ca 0.05 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.55 2aa9 h LEU 34 Cb 0.82 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.70 2aa9 h LEU 34 CO 0.07 0.38 0.29 0.00 0.09 0.00 0.00 178.44 179.27 2aa9 s ALA 35 N -3.02 1.80 -0.09 1.53 0.00 0.32 -0.67 121.76 121.63 2aa9 s ALA 35 Ca 0.04 -0.34 -0.14 0.00 0.00 0.00 0.00 51.96 51.52 2aa9 s ALA 35 Cb 0.07 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 20.05 2aa9 s ALA 35 CO 0.73 -2.18 0.35 -1.01 0.00 0.00 0.00 175.76 173.66 2aa9 s HIS 36 N -3.16 3.59 0.00 0.00 3.76 -0.41 -0.73 115.29 118.34 2aa9 s HIS 36 Ca 0.63 0.79 0.00 0.00 -0.15 0.00 0.00 55.06 56.33 2aa9 s HIS 36 Cb -0.16 -2.31 0.00 0.00 1.11 0.00 0.00 32.58 31.22 2aa9 s HIS 36 CO 0.55 0.44 0.00 0.41 -0.85 0.00 0.00 174.74 175.29 2aa9 n GLY 37 N 2.59 0.85 3.72 -2.22 0.00 -1.26 -1.18 105.19 107.69 2aa9 n GLY 37 Ca -0.13 -2.08 -0.36 0.00 0.00 0.00 0.00 46.02 43.45 2aa9 n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2aa9 s LYS 38 N -1.43 4.24 -0.13 1.61 2.20 -1.26 -1.01 119.74 123.96 2aa9 s LYS 38 Ca 0.00 0.05 -0.02 0.00 -0.36 0.00 0.00 55.97 55.64 2aa9 s LYS 38 Cb 0.00 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.86 2aa9 s LYS 38 CO 0.00 0.22 -0.07 0.99 -0.36 0.00 0.00 175.35 176.13 2aa9 s THR 39 N 0.53 3.63 -0.29 3.43 2.01 -0.57 -4.38 115.64 120.00 2aa9 s THR 39 Ca 0.15 -0.47 -0.05 0.00 0.31 0.00 0.00 61.69 61.63 2aa9 s THR 39 Cb -0.13 -2.55 0.02 0.00 0.01 0.00 0.00 72.50 69.85 2aa9 s THR 39 CO 0.03 0.52 0.05 -0.69 -0.69 0.00 0.00 174.62 173.84 2aa9 s VAL 40 N 0.11 3.67 -0.17 3.82 1.01 -0.00 -0.61 120.40 128.23 2aa9 s VAL 40 Ca -0.03 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 2aa9 s VAL 40 Cb -0.14 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2aa9 s VAL 40 CO 0.03 0.08 0.11 -0.76 0.00 0.00 0.00 175.10 174.57 2aa9 s LEU 41 N 1.44 4.14 0.23 3.92 1.43 0.67 -0.66 118.68 129.87 2aa9 s LEU 41 Ca 0.01 0.26 0.12 0.00 -1.03 0.00 0.00 54.13 53.49 2aa9 s LEU 41 Cb -0.17 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 2aa9 s LEU 41 CO 0.01 0.25 -0.22 0.42 0.23 0.00 0.00 176.35 177.03 2aa9 s THR 42 N -0.04 2.41 -1.73 5.49 -4.23 -0.36 -1.05 115.64 116.12 2aa9 s THR 42 Ca 0.09 -2.20 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 2aa9 s THR 42 Cb -0.12 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.52 2aa9 s THR 42 CO 0.00 -0.24 0.00 -3.20 -0.54 0.00 0.00 174.62 170.64 2aa9 n ASN 43 N -0.12 -5.38 -4.77 3.99 4.05 -0.55 -0.85 115.26 111.63 2aa9 n ASN 43 Ca -0.09 0.14 -0.39 0.00 0.45 0.00 0.00 54.58 54.68 2aa9 n ASN 43 Cb 0.58 -4.47 0.00 0.00 1.23 0.00 0.00 39.78 37.12 2aa9 n ASN 43 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 2aa9 s LEU 44 N -5.05 4.15 0.15 1.20 2.96 0.06 -3.76 118.68 118.39 2aa9 s LEU 44 Ca 0.00 2.68 -0.30 0.00 -0.22 0.00 0.00 54.13 56.29 2aa9 s LEU 44 Cb 0.00 -3.97 -0.07 0.00 0.50 0.00 0.00 46.19 42.65 2aa9 s LEU 44 CO 0.00 -0.98 1.04 -0.22 -1.32 0.00 0.00 176.35 174.87 2aa9 s LEU 45 N -2.63 4.50 -0.40 -0.68 2.96 -1.26 -4.28 118.68 116.89 2aa9 s LEU 45 Ca 0.59 1.97 -0.10 0.00 -0.22 0.00 0.00 54.13 56.38 2aa9 s LEU 45 Cb -0.38 -3.60 0.06 0.00 0.50 0.00 0.00 46.19 42.77 2aa9 s LEU 45 CO 0.49 -0.15 0.23 -0.62 -1.32 0.00 0.00 176.35 174.98 2aa9 s ASP 46 N -0.10 5.64 0.31 3.68 3.68 -1.26 -4.78 116.67 123.83 2aa9 s ASP 46 Ca 0.48 -1.29 -0.17 0.00 2.13 0.00 0.00 52.55 53.70 2aa9 s ASP 46 Cb -0.27 -1.99 0.02 0.00 -1.45 0.00 0.00 42.92 39.24 2aa9 s ASP 46 CO 0.33 -0.47 0.68 -0.94 0.13 0.00 0.00 175.17 174.90 2aa9 s SER 47 N 1.86 -0.08 0.20 -0.34 1.04 -1.26 -4.58 113.70 110.53 2aa9 s SER 47 Ca 0.02 -0.87 -0.11 0.00 0.48 0.00 0.00 55.95 55.47 2aa9 s SER 47 Cb -0.21 0.73 0.20 0.00 0.10 0.00 0.00 66.02 66.84 2aa9 s SER 47 CO 0.04 -1.40 1.79 0.44 0.98 0.00 0.00 173.24 175.09 2aa9 h ASP 48 N 2.05 0.43 -0.43 7.02 3.45 -0.78 -0.67 116.42 127.50 2aa9 h ASP 48 Ca -0.24 0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.21 2aa9 h ASP 48 Cb 1.25 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.95 2aa9 h ASP 48 CO 0.31 0.29 0.14 0.44 -1.57 0.00 0.00 179.24 178.84 2aa9 h ASP 49 N 0.57 0.68 0.26 6.45 3.32 -1.72 -0.53 116.42 125.45 2aa9 h ASP 49 Ca 0.27 -0.11 -0.23 0.00 0.02 0.00 0.00 57.03 56.98 2aa9 h ASP 49 Cb 0.19 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2aa9 h ASP 49 CO -0.19 0.67 -0.93 0.58 -1.72 0.00 0.00 179.24 177.65 2aa9 h VAL 50 N 0.72 1.37 -0.55 -1.35 2.07 -1.73 -2.96 116.25 113.83 2aa9 h VAL 50 Ca 0.16 -2.37 -0.04 0.00 0.82 0.00 0.00 66.70 65.28 2aa9 h VAL 50 Cb 0.24 2.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 2aa9 h VAL 50 CO -0.01 0.71 0.17 -0.09 0.02 0.00 0.00 177.57 178.38 2aa9 h ARG 51 N 0.27 0.81 -0.58 1.57 2.43 -0.63 0.77 114.38 119.03 2aa9 h ARG 51 Ca -0.08 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 58.88 2aa9 h ARG 51 Cb 1.56 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.96 2aa9 h ARG 51 CO 0.17 0.70 0.09 0.45 -1.51 0.00 0.00 179.97 179.87 2aa9 h HIS 52 N 0.79 0.99 -0.21 2.20 3.86 -1.09 0.03 115.15 121.72 2aa9 h HIS 52 Ca 0.18 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 2aa9 h HIS 52 Cb 0.23 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 2aa9 h HIS 52 CO 0.01 0.85 0.01 1.98 0.86 0.00 0.00 177.93 181.64 2aa9 h MET 53 N 0.89 0.37 -0.87 2.45 1.85 -1.18 -1.43 114.93 117.00 2aa9 h MET 53 Ca 0.18 -0.11 0.03 0.00 -0.61 0.00 0.00 59.70 59.19 2aa9 h MET 53 Cb 0.40 -0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.34 2aa9 h MET 53 CO 0.01 0.55 0.56 -0.07 -0.40 0.00 0.00 176.91 177.56 2aa9 h LEU 54 N 0.15 0.93 -0.91 3.39 3.38 -0.60 -0.70 115.31 120.95 2aa9 h LEU 54 Ca 0.06 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2aa9 h LEU 54 Cb 0.37 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2aa9 h LEU 54 CO 0.01 0.64 0.06 0.78 0.09 0.00 0.00 178.44 180.02 2aa9 h ASN 55 N 1.09 0.82 -0.49 -0.43 -0.26 -0.85 -0.38 115.58 115.09 2aa9 h ASN 55 Ca 0.35 -0.18 -0.09 0.00 -0.56 0.00 0.00 56.30 55.82 2aa9 h ASN 55 Cb 0.01 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.03 2aa9 h ASN 55 CO -0.12 0.85 -0.04 0.00 -1.06 0.00 0.00 177.43 177.06 2aa9 h ALA 56 N 1.25 0.66 -0.63 -0.83 0.00 -0.55 -0.71 119.26 118.45 2aa9 h ALA 56 Ca 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2aa9 h ALA 56 Cb 0.40 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2aa9 h ALA 56 CO 0.01 0.50 0.23 -0.07 0.00 0.00 0.00 179.25 179.93 2aa9 h LEU 57 N 0.74 0.88 -0.17 0.00 3.38 -0.80 -0.48 115.31 118.86 2aa9 h LEU 57 Ca 0.13 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2aa9 h LEU 57 Cb 0.57 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2aa9 h LEU 57 CO 0.03 0.82 0.08 0.74 0.09 0.00 0.00 178.44 180.21 2aa9 h THR 58 N 0.88 1.00 -0.26 0.22 2.02 -0.88 -0.28 112.91 115.61 2aa9 h THR 58 Ca 0.21 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.33 2aa9 h THR 58 Cb 0.23 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 2aa9 h THR 58 CO -0.01 0.03 0.17 0.00 0.37 0.00 0.00 175.52 176.08 2aa9 h ALA 59 N 1.09 1.86 -0.01 6.16 0.00 -0.70 -0.41 119.26 127.25 2aa9 h ALA 59 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2aa9 h ALA 59 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2aa9 h ALA 59 CO -0.05 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.60 2aa9 n LEU 60 N -4.50 0.40 0.00 0.00 4.77 -0.23 -4.91 117.00 112.53 2aa9 n LEU 60 Ca 0.01 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2aa9 n LEU 60 Cb 0.10 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2aa9 n LEU 60 CO 0.35 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2aa9 n GLY 61 N 1.04 0.81 3.74 -0.72 0.00 -0.16 -4.58 105.19 105.32 2aa9 n GLY 61 Ca 0.22 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2aa9 n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aa9 s VAL 62 N -2.00 4.07 -0.18 1.61 1.01 -0.17 -5.00 120.40 119.75 2aa9 s VAL 62 Ca 0.00 1.90 -0.10 0.00 0.00 0.00 0.00 61.98 63.78 2aa9 s VAL 62 Cb 0.00 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 2aa9 s VAL 62 CO 0.00 0.38 0.15 -0.55 0.00 0.00 0.00 175.10 175.08 2aa9 s SER 63 N -0.54 6.28 0.20 3.32 0.15 -1.26 -4.29 113.70 117.56 2aa9 s SER 63 Ca 0.45 0.32 -0.19 0.00 0.70 0.00 0.00 55.95 57.23 2aa9 s SER 63 Cb -0.27 -2.10 0.04 0.00 -1.71 0.00 0.00 66.02 61.98 2aa9 s SER 63 CO 0.33 0.22 0.57 -0.72 1.20 0.00 0.00 173.24 174.84 2aa9 s TYR 64 N 0.06 -0.24 0.10 3.44 -0.85 -1.26 -0.71 117.35 117.89 2aa9 s TYR 64 Ca 0.11 -0.09 0.06 0.00 -0.52 0.00 0.00 57.07 56.63 2aa9 s TYR 64 Cb -0.12 0.48 -0.03 0.00 0.38 0.00 0.00 41.96 42.67 2aa9 s TYR 64 CO 0.00 -0.94 -0.14 0.95 -1.52 0.00 0.00 175.55 173.89 2aa9 s THR 65 N -3.85 1.26 0.04 -3.49 -4.23 -0.67 -4.98 115.64 99.72 2aa9 s THR 65 Ca 0.07 -1.56 0.06 0.00 -1.18 0.00 0.00 61.69 59.09 2aa9 s THR 65 Cb -0.02 -1.36 -0.02 0.00 1.34 0.00 0.00 72.50 72.44 2aa9 s THR 65 CO -0.04 -0.33 -0.18 -0.76 -0.54 0.00 0.00 174.62 172.77 2aa9 s LEU 66 N -2.16 2.16 1.03 4.79 1.43 -1.26 -1.48 118.68 123.20 2aa9 s LEU 66 Ca 0.05 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.51 2aa9 s LEU 66 Cb -0.07 -0.84 0.21 0.00 0.03 0.00 0.00 46.19 45.52 2aa9 s LEU 66 CO 0.03 0.12 1.13 -0.94 0.23 0.00 0.00 176.35 176.92 2aa9 s SER 67 N -1.12 2.41 0.27 2.29 1.04 -0.05 -4.86 113.70 113.67 2aa9 s SER 67 Ca 0.05 0.85 -0.01 0.00 0.48 0.00 0.00 55.95 57.33 2aa9 s SER 67 Cb -0.08 -1.30 0.47 0.00 0.10 0.00 0.00 66.02 65.20 2aa9 s SER 67 CO 0.01 -3.23 1.85 0.00 0.98 0.00 0.00 173.24 172.86 2aa9 h ALA 68 N -1.96 1.42 -0.16 5.32 0.00 -2.01 -0.85 119.26 121.02 2aa9 h ALA 68 Ca -0.50 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2aa9 h ALA 68 Cb 1.31 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2aa9 h ALA 68 CO 0.50 0.29 0.00 -0.40 0.00 0.00 0.00 179.25 179.65 2aa9 n ASP 69 N -4.59 1.76 -1.61 0.00 3.85 -1.26 -4.94 116.55 109.76 2aa9 n ASP 69 Ca 0.17 -1.70 -0.18 0.00 -0.71 0.00 0.00 54.79 52.37 2aa9 n ASP 69 Cb 0.27 -0.10 -0.05 0.00 -1.35 0.00 0.00 41.12 39.89 2aa9 n ASP 69 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2aa9 n ARG 70 N 0.38 -1.32 0.00 0.11 1.74 -0.32 -4.84 116.66 112.41 2aa9 n ARG 70 Ca 0.17 1.05 0.08 0.00 -0.77 0.00 0.00 57.85 58.37 2aa9 n ARG 70 Cb 0.35 -5.39 -0.03 0.00 -1.02 0.00 0.00 32.46 26.37 2aa9 n ARG 70 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2aa9 n THR 71 N -3.00 0.00 -4.99 0.55 -2.24 -1.26 -4.44 114.28 98.90 2aa9 n THR 71 Ca -0.19 -0.27 -0.32 0.00 -2.27 0.00 0.00 64.05 61.00 2aa9 n THR 71 Cb 0.62 1.13 -0.17 0.00 -2.10 0.00 0.00 70.33 69.81 2aa9 n THR 71 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2aa9 s ARG 72 N -2.08 3.03 -0.05 -0.78 3.52 -1.26 -0.76 118.95 120.57 2aa9 s ARG 72 Ca 0.11 -0.87 0.01 0.00 -0.13 0.00 0.00 55.73 54.85 2aa9 s ARG 72 Cb 0.13 -2.35 0.02 0.00 -1.56 0.00 0.00 34.95 31.19 2aa9 s ARG 72 CO 0.48 0.10 -0.05 0.00 -0.81 0.00 0.00 175.30 175.02 2aa9 s GLU 74 N 1.00 2.54 -0.17 0.00 2.12 -0.55 -0.24 118.70 123.41 2aa9 s GLU 74 Ca -0.10 -1.26 -0.08 0.00 0.36 0.00 0.00 54.97 53.89 2aa9 s GLU 74 Cb -0.14 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 2aa9 s GLU 74 CO -0.00 -0.71 0.10 0.42 -0.54 0.00 0.00 175.26 174.53 2aa9 s ILE 75 N 1.36 5.16 -0.47 -3.70 1.09 0.22 -1.67 121.20 123.19 2aa9 s ILE 75 Ca -0.01 0.09 -0.22 0.00 -1.10 0.00 0.00 60.65 59.42 2aa9 s ILE 75 Cb -0.20 -3.32 0.03 0.00 -1.06 0.00 0.00 42.46 37.91 2aa9 s ILE 75 CO 0.02 0.49 0.72 -0.63 -0.10 0.00 0.00 174.94 175.43 2aa9 s ILE 76 N 0.07 4.72 0.47 2.92 -1.09 0.12 -1.52 121.20 126.89 2aa9 s ILE 76 Ca 0.08 0.12 -0.24 0.00 -2.23 0.00 0.00 60.65 58.38 2aa9 s ILE 76 Cb -0.12 -4.30 -0.07 0.00 -1.58 0.00 0.00 42.46 36.39 2aa9 s ILE 76 CO -0.00 -0.74 1.36 -0.83 -1.23 0.00 0.00 174.94 173.50 2aa9 s GLY 77 N 2.27 2.90 0.27 6.18 0.00 -0.18 -4.35 107.32 114.41 2aa9 s GLY 77 Ca 0.24 1.33 0.26 0.00 0.00 0.00 0.00 44.72 46.55 2aa9 s GLY 77 CO 0.19 1.90 1.75 -0.57 0.00 0.00 0.00 173.10 176.36 2aa9 h ASN 78 N 2.15 0.00 -4.44 1.64 -1.24 -0.40 -3.41 115.58 109.88 2aa9 h ASN 78 Ca -0.50 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.22 2aa9 h ASN 78 Cb 1.27 0.00 0.10 0.00 0.73 0.00 0.00 38.32 40.42 2aa9 h ASN 78 CO 0.60 0.00 -0.48 0.61 -1.29 0.00 0.00 177.43 176.87 2aa9 n GLY 79 N 1.01 -0.11 0.00 1.57 0.00 0.09 -4.91 105.19 102.84 2aa9 n GLY 79 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2aa9 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aa9 n GLY 80 N -1.57 1.43 3.53 -0.02 0.00 0.15 -4.91 105.19 103.80 2aa9 n GLY 80 Ca 0.00 -1.74 -0.44 0.00 0.00 0.00 0.00 46.02 43.85 2aa9 n GLY 80 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2aa9 n PRO 81 N -1.79 0.96 -2.98 1.61 -0.02 -1.26 -4.61 135.00 126.91 2aa9 n PRO 81 Ca 0.00 0.34 -0.34 0.00 -2.02 0.00 0.00 63.50 61.48 2aa9 n PRO 81 Cb 0.00 -1.68 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 2aa9 n PRO 81 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2aa9 s LEU 82 N 0.97 4.12 0.03 2.45 1.43 -1.26 -5.08 118.68 121.34 2aa9 s LEU 82 Ca 0.61 1.51 0.01 0.00 -1.03 0.00 0.00 54.13 55.24 2aa9 s LEU 82 Cb -0.67 -4.12 -0.02 0.00 0.03 0.00 0.00 46.19 41.41 2aa9 s LEU 82 CO 0.58 -0.19 -0.05 -1.00 0.23 0.00 0.00 176.35 175.93 2aa9 s HIS 83 N -1.90 0.44 -0.06 0.29 3.76 -1.26 -4.90 115.29 111.66 2aa9 s HIS 83 Ca 0.54 -0.53 -0.29 0.00 -0.15 0.00 0.00 55.06 54.63 2aa9 s HIS 83 Cb -0.12 -0.28 0.10 0.00 1.11 0.00 0.00 32.58 33.38 2aa9 s HIS 83 CO 0.18 -0.15 0.82 0.00 -0.85 0.00 0.00 174.74 174.74 2aa9 s ALA 84 N -1.48 -1.82 0.15 -1.40 0.00 -1.26 -4.84 121.76 111.11 2aa9 s ALA 84 Ca -0.13 1.27 0.01 0.00 0.00 0.00 0.00 51.96 53.11 2aa9 s ALA 84 Cb -0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 2aa9 s ALA 84 CO -0.01 -0.45 0.04 0.39 0.00 0.00 0.00 175.76 175.74 2aa9 n GLU 85 N 0.51 1.01 -1.64 0.00 4.71 -1.26 -2.06 120.64 121.91 2aa9 n GLU 85 Ca -0.14 -1.21 -0.10 0.00 -0.01 0.00 0.00 57.16 55.71 2aa9 n GLU 85 Cb 0.59 0.57 -0.03 0.00 -1.01 0.00 0.00 31.44 31.56 2aa9 n GLU 85 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2aa9 n GLY 86 N 1.68 0.67 3.87 0.62 0.00 -1.24 -3.09 105.19 107.69 2aa9 n GLY 86 Ca -0.03 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 2aa9 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aa9 n ALA 87 N 0.13 -1.58 -1.67 4.61 0.00 -0.12 -4.86 120.51 117.03 2aa9 n ALA 87 Ca -0.10 0.03 -0.46 0.00 0.00 0.00 0.00 53.44 52.91 2aa9 n ALA 87 Cb 0.42 -3.39 -0.04 0.00 0.00 0.00 0.00 19.45 16.45 2aa9 n ALA 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2aa9 n LEU 88 N -4.52 3.15 -4.69 0.00 7.94 -1.10 -4.31 117.00 113.47 2aa9 n LEU 88 Ca -0.09 1.07 -0.37 0.00 -1.11 0.00 0.00 56.01 55.51 2aa9 n LEU 88 Cb 0.59 -1.43 -0.07 0.00 0.53 0.00 0.00 43.42 43.03 2aa9 n LEU 88 CO 0.74 -0.25 0.05 -0.70 -1.11 0.00 0.00 177.39 176.11 2aa9 s GLU 89 N 1.12 4.20 -0.25 1.96 2.12 -1.26 -0.66 118.70 125.94 2aa9 s GLU 89 Ca 0.79 0.15 -0.07 0.00 0.36 0.00 0.00 54.97 56.21 2aa9 s GLU 89 Cb -0.67 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.19 2aa9 s GLU 89 CO 0.38 0.06 0.05 -0.51 -0.54 0.00 0.00 175.26 174.70 2aa9 s LEU 90 N 1.01 3.35 -0.31 2.70 1.43 0.42 -4.97 118.68 122.31 2aa9 s LEU 90 Ca 0.18 -0.25 -0.18 0.00 -1.03 0.00 0.00 54.13 52.85 2aa9 s LEU 90 Cb -0.14 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 2aa9 s LEU 90 CO 0.07 -0.04 0.50 0.12 0.23 0.00 0.00 176.35 177.23 2aa9 s PHE 91 N 1.59 3.21 -0.20 0.29 5.36 -1.26 -1.61 117.98 125.36 2aa9 s PHE 91 Ca 0.06 0.34 0.16 0.00 -0.96 0.00 0.00 56.93 56.54 2aa9 s PHE 91 Cb -0.15 -2.83 0.61 0.00 -0.34 0.00 0.00 43.02 40.31 2aa9 s PHE 91 CO 0.02 -0.43 1.52 1.28 -1.46 0.00 0.00 175.22 176.15 2aa9 n LEU 92 N 5.65 4.41 0.00 6.12 4.77 0.34 -4.89 117.00 133.40 2aa9 n LEU 92 Ca -0.05 -2.99 0.00 0.00 -0.03 0.00 0.00 56.01 52.94 2aa9 n LEU 92 Cb 0.49 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2aa9 n LEU 92 CO 0.43 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 2aa9 n GLY 93 N -0.19 3.50 1.45 -0.72 0.00 -1.26 -1.45 105.19 106.52 2aa9 n GLY 93 Ca 0.23 0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.26 2aa9 n GLY 93 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2aa9 n ASN 94 N 5.25 2.74 -4.46 1.61 5.15 -1.26 -0.80 115.26 123.48 2aa9 n ASN 94 Ca 0.00 -3.42 -0.43 0.00 -0.60 0.00 0.00 54.58 50.13 2aa9 n ASN 94 Cb 0.00 -0.43 -0.04 0.00 -0.53 0.00 0.00 39.78 38.79 2aa9 n ASN 94 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2aa9 s ALA 95 N -3.02 3.11 0.38 5.20 0.00 -0.53 -4.90 121.76 122.01 2aa9 s ALA 95 Ca 0.41 -1.96 0.08 0.00 0.00 0.00 0.00 51.96 50.48 2aa9 s ALA 95 Cb 0.38 -3.94 0.76 0.00 0.00 0.00 0.00 23.12 20.33 2aa9 s ALA 95 CO -0.04 -2.87 1.94 0.78 0.00 0.00 0.00 175.76 175.57 2aa9 h GLY 96 N 11.38 0.40 1.22 0.00 0.00 -1.95 -0.19 103.07 113.94 2aa9 h GLY 96 Ca -0.21 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2aa9 h GLY 96 CO 1.19 0.21 0.00 -1.30 0.00 0.00 0.00 176.54 176.63 2aa9 n THR 97 N -4.33 0.09 -0.09 4.70 -2.24 -1.26 -1.25 114.28 109.89 2aa9 n THR 97 Ca 0.01 0.02 -0.19 0.00 -2.27 0.00 0.00 64.05 61.62 2aa9 n THR 97 Cb 0.21 -0.62 -0.07 0.00 -2.10 0.00 0.00 70.33 67.76 2aa9 n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2aa9 n ALA 98 N -1.11 1.77 0.09 6.98 0.00 -0.77 -4.45 120.51 123.02 2aa9 n ALA 98 Ca 0.16 -0.74 -0.13 0.00 0.00 0.00 0.00 53.44 52.73 2aa9 n ALA 98 Cb 0.13 0.24 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 2aa9 n ALA 98 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2aa9 h MET 99 N -0.58 -0.15 -0.04 0.00 -1.53 -0.94 -0.91 114.93 110.77 2aa9 h MET 99 Ca -0.46 0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 55.79 2aa9 h MET 99 Cb 1.44 0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 32.52 2aa9 h MET 99 CO -0.26 -0.10 -0.03 0.00 0.14 0.00 0.00 176.91 176.66 2aa9 h ARG 100 N -0.16 0.09 -0.68 0.39 -0.00 -1.42 -1.30 114.38 111.30 2aa9 h ARG 100 Ca -0.01 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.98 59.42 2aa9 h ARG 100 Cb 0.14 -0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.08 2aa9 h ARG 100 CO 0.00 0.51 0.38 -1.35 0.00 0.00 0.00 179.97 179.51 2aa9 h PRO 101 N -0.33 0.95 -0.02 0.04 0.11 -1.74 -2.38 132.00 128.63 2aa9 h PRO 101 Ca 0.01 -0.11 -0.10 0.00 0.11 0.00 0.00 66.00 65.91 2aa9 h PRO 101 Cb 0.48 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 2aa9 h PRO 101 CO 0.01 0.71 -0.48 -0.07 -0.21 0.00 0.00 178.00 177.95 2aa9 h LEU 102 N 0.93 0.05 -1.02 2.35 3.38 -1.21 0.14 115.31 119.93 2aa9 h LEU 102 Ca 0.24 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.20 2aa9 h LEU 102 Cb 0.03 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2aa9 h LEU 102 CO -0.04 0.52 0.64 0.00 0.09 0.00 0.00 178.44 179.65 2aa9 h ALA 103 N 1.48 1.29 0.05 1.53 0.00 -0.72 -1.35 119.26 121.55 2aa9 h ALA 103 Ca -0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2aa9 h ALA 103 Cb 0.86 -0.40 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2aa9 h ALA 103 CO 0.06 0.66 -0.31 0.00 0.00 0.00 0.00 179.25 179.66 2aa9 h ALA 104 N 1.38 -0.03 -0.95 0.00 0.00 -1.27 -3.36 119.26 115.02 2aa9 h ALA 104 Ca 0.36 -0.58 0.03 0.00 0.00 0.00 0.00 54.91 54.72 2aa9 h ALA 104 Cb -0.14 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2aa9 h ALA 104 CO -0.08 0.14 0.63 0.00 0.00 0.00 0.00 179.25 179.94 2aa9 h ALA 105 N 0.03 1.37 0.00 0.00 0.00 -0.81 -1.43 119.26 118.41 2aa9 h ALA 105 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2aa9 h ALA 105 Cb 1.24 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2aa9 h ALA 105 CO 0.06 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.14 2aa9 n LEU 106 N -4.43 0.00 -0.17 0.00 4.77 -0.52 -2.34 117.00 114.31 2aa9 n LEU 106 Ca 0.12 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.24 2aa9 n LEU 106 Cb 0.08 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 41.71 2aa9 n LEU 106 CO 0.35 0.00 0.81 0.00 -1.33 0.00 0.00 177.39 177.22 2aa9 s LEU 108 N -2.44 4.31 0.00 0.00 1.43 -0.99 -0.98 118.68 120.01 2aa9 s LEU 108 Ca 0.28 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 2aa9 s LEU 108 Cb 0.20 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.85 2aa9 s LEU 108 CO 0.48 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 177.26 2aa9 n GLY 109 N 3.08 0.35 3.87 -3.19 0.00 -1.26 -4.75 105.19 103.28 2aa9 n GLY 109 Ca 0.08 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 2aa9 n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aa9 s SER 110 N -4.00 6.07 -0.05 1.61 0.01 -1.26 -0.63 113.70 115.45 2aa9 s SER 110 Ca 0.00 0.17 -0.31 0.00 1.31 0.00 0.00 55.95 57.12 2aa9 s SER 110 Cb 0.00 -1.79 0.11 0.00 0.21 0.00 0.00 66.02 64.55 2aa9 s SER 110 CO 0.00 0.17 1.12 0.20 0.41 0.00 0.00 173.24 175.14 2aa9 s ASN 111 N -2.48 -0.17 -0.37 2.44 0.01 -1.25 -4.79 114.94 108.33 2aa9 s ASN 111 Ca 0.33 -0.10 0.04 0.00 -0.71 0.00 0.00 52.86 52.42 2aa9 s ASN 111 Cb -0.13 0.26 0.16 0.00 0.41 0.00 0.00 41.25 41.95 2aa9 s ASN 111 CO 0.26 -0.44 0.42 -0.62 -1.51 0.00 0.00 177.10 175.20 2aa9 s ASP 112 N -2.58 0.72 0.02 -1.22 3.68 -0.88 -3.96 116.67 112.44 2aa9 s ASP 112 Ca 0.10 -1.42 0.02 0.00 2.13 0.00 0.00 52.55 53.38 2aa9 s ASP 112 Cb 0.00 0.80 -0.01 0.00 -1.45 0.00 0.00 42.92 42.26 2aa9 s ASP 112 CO -0.04 -0.25 -0.06 -0.63 0.13 0.00 0.00 175.17 174.32 2aa9 s ILE 113 N 1.53 0.47 -0.12 4.11 1.01 -0.46 -0.94 121.20 126.79 2aa9 s ILE 113 Ca 0.17 -0.61 -0.00 0.00 0.00 0.00 0.00 60.65 60.21 2aa9 s ILE 113 Cb -0.13 -0.47 -0.02 0.00 0.01 0.00 0.00 42.46 41.85 2aa9 s ILE 113 CO -0.05 -0.11 -0.12 -0.69 0.00 0.00 0.00 174.94 173.97 2aa9 s VAL 114 N -0.69 3.16 -0.17 2.92 1.01 0.17 0.53 120.40 127.34 2aa9 s VAL 114 Ca -0.03 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 2aa9 s VAL 114 Cb -0.06 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 2aa9 s VAL 114 CO 0.00 0.53 -0.03 -0.76 0.00 0.00 0.00 175.10 174.84 2aa9 s LEU 115 N 0.21 3.25 0.00 3.92 1.43 0.00 -0.44 118.68 127.05 2aa9 s LEU 115 Ca -0.07 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 2aa9 s LEU 115 Cb -0.15 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 2aa9 s LEU 115 CO 0.05 0.15 0.18 1.07 0.23 0.00 0.00 176.35 178.02 2aa9 n THR 116 N 3.69 0.00 -2.54 5.49 5.66 -0.63 -1.55 114.28 124.39 2aa9 n THR 116 Ca -0.17 -1.03 0.00 0.00 -3.05 0.00 0.00 64.05 59.80 2aa9 n THR 116 Cb 0.52 0.55 0.00 0.00 -1.55 0.00 0.00 70.33 69.86 2aa9 n THR 116 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2aa9 n GLY 117 N -0.29 1.61 3.73 1.09 0.00 -1.26 -0.50 105.19 109.56 2aa9 n GLY 117 Ca 0.02 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 2aa9 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aa9 s GLU 118 N 1.07 1.51 0.28 1.61 2.02 0.02 -4.83 118.70 120.39 2aa9 s GLU 118 Ca 0.00 0.98 0.02 0.00 0.02 0.00 0.00 54.97 55.99 2aa9 s GLU 118 Cb 0.00 -1.83 0.68 0.00 0.10 0.00 0.00 34.13 33.08 2aa9 s GLU 118 CO 0.00 -2.11 1.68 -1.35 0.02 0.00 0.00 175.26 173.50 2aa9 h PRO 119 N -1.46 0.32 -0.16 0.39 0.11 -2.00 0.20 132.00 129.40 2aa9 h PRO 119 Ca -0.47 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2aa9 h PRO 119 Cb 1.27 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2aa9 h PRO 119 CO 0.53 0.21 -0.16 -0.09 -0.21 0.00 0.00 178.00 178.28 2aa9 h ARG 120 N 0.33 0.26 -0.03 1.05 9.65 -1.93 -2.11 114.38 121.60 2aa9 h ARG 120 Ca 0.53 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 59.31 2aa9 h ARG 120 Cb 1.01 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.55 2aa9 h ARG 120 CO -0.55 0.43 -0.13 1.98 2.80 0.00 0.00 179.97 184.49 2aa9 h MET 121 N 0.25 0.04 0.00 0.20 4.05 -1.22 0.07 114.93 118.31 2aa9 h MET 121 Ca 0.05 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 2aa9 h MET 121 Cb 0.43 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 2aa9 h MET 121 CO 0.03 0.18 0.00 1.63 0.23 0.00 0.00 176.91 178.97 2aa9 n LYS 122 N -4.36 0.75 -0.03 0.39 5.02 -0.79 -2.42 118.16 116.72 2aa9 n LYS 122 Ca -0.02 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.28 2aa9 n LYS 122 Cb 0.21 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.75 2aa9 n LYS 122 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2aa9 n GLU 123 N -1.00 1.29 -3.74 1.97 1.02 -0.01 -4.54 120.64 115.63 2aa9 n GLU 123 Ca 0.18 -1.20 -0.36 0.00 -0.02 0.00 0.00 57.16 55.76 2aa9 n GLU 123 Cb 0.08 -1.07 -0.10 0.00 -0.02 0.00 0.00 31.44 30.33 2aa9 n GLU 123 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2aa9 s ARG 124 N -0.65 3.97 0.35 3.49 0.52 -1.01 -5.05 118.95 120.56 2aa9 s ARG 124 Ca 0.05 -0.33 -0.27 0.00 -0.52 0.00 0.00 55.73 54.66 2aa9 s ARG 124 Cb 0.03 -3.45 -0.12 0.00 0.52 0.00 0.00 34.95 31.93 2aa9 s ARG 124 CO 0.04 0.03 1.24 -0.35 0.02 0.00 0.00 175.30 176.28 2aa9 n PRO 125 N 4.34 1.96 0.00 3.54 -0.04 -1.26 -4.43 135.00 139.11 2aa9 n PRO 125 Ca -0.15 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 2aa9 n PRO 125 Cb 0.52 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 2aa9 n PRO 125 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2aa9 n ILE 126 N 0.21 0.00 -0.36 0.52 3.06 -0.18 -4.92 119.36 117.69 2aa9 n ILE 126 Ca 0.06 0.00 0.03 0.00 -2.50 0.00 0.00 62.75 60.34 2aa9 n ILE 126 Cb 0.36 1.37 0.18 0.00 0.54 0.00 0.00 39.64 42.09 2aa9 n ILE 126 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 2aa9 h GLY 127 N 0.00 1.53 1.79 4.50 0.00 -1.71 -1.79 103.07 107.38 2aa9 h GLY 127 Ca 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 2aa9 h GLY 127 CO 0.00 0.31 -0.24 0.45 0.00 0.00 0.00 176.54 177.06 2aa9 h HIS 128 N 1.14 0.28 -0.12 5.60 3.86 -1.91 0.70 115.15 124.69 2aa9 h HIS 128 Ca 0.44 -0.05 -0.12 0.00 -1.16 0.00 0.00 60.37 59.48 2aa9 h HIS 128 Cb 0.21 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2aa9 h HIS 128 CO -0.00 0.48 -0.39 1.25 0.86 0.00 0.00 177.93 180.12 2aa9 h LEU 129 N 0.23 0.55 -0.80 2.43 5.85 -1.71 -2.71 115.31 119.14 2aa9 h LEU 129 Ca 0.04 -0.61 -0.00 0.00 0.84 0.00 0.00 57.88 58.15 2aa9 h LEU 129 Cb 0.56 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 2aa9 h LEU 129 CO 0.04 1.06 0.49 0.58 -0.34 0.00 0.00 178.44 180.28 2aa9 h VAL 130 N 0.07 1.22 -0.52 1.05 2.07 -1.10 -0.13 116.25 118.91 2aa9 h VAL 130 Ca -0.02 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.05 2aa9 h VAL 130 Cb 1.02 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2aa9 h VAL 130 CO 0.08 0.23 0.33 0.44 0.02 0.00 0.00 177.57 178.67 2aa9 h ASP 131 N 1.10 0.56 -0.32 0.57 3.45 -0.86 -0.57 116.42 120.34 2aa9 h ASP 131 Ca 0.29 -0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.70 2aa9 h ASP 131 Cb -0.06 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.57 2aa9 h ASP 131 CO -0.06 0.40 0.04 0.00 -1.57 0.00 0.00 179.24 178.05 2aa9 h ALA 132 N 1.21 0.43 -0.80 3.45 0.00 -1.09 -2.10 119.26 120.36 2aa9 h ALA 132 Ca 0.20 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2aa9 h ALA 132 Cb -0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2aa9 h ALA 132 CO -0.07 0.14 0.48 -0.07 0.00 0.00 0.00 179.25 179.73 2aa9 h LEU 133 N 0.36 0.96 -1.03 0.00 3.38 -0.77 -2.15 115.31 116.07 2aa9 h LEU 133 Ca 0.10 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2aa9 h LEU 133 Cb 0.37 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2aa9 h LEU 133 CO 0.01 0.74 0.28 0.03 0.09 0.00 0.00 178.44 179.59 2aa9 h ARG 134 N 1.10 0.97 0.00 1.13 3.08 -0.99 -1.22 114.38 118.45 2aa9 h ARG 134 Ca 0.29 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2aa9 h ARG 134 Cb -0.04 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 2aa9 h ARG 134 CO -0.05 0.78 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.51 2aa9 h LEU 135 N 0.96 0.00 -0.81 3.04 3.38 -0.74 -0.40 115.31 120.75 2aa9 h LEU 135 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2aa9 h LEU 135 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2aa9 h LEU 135 CO -0.02 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2aa9 n GLY 136 N -1.27 -0.11 0.00 0.83 0.00 -0.62 -4.82 105.19 99.21 2aa9 n GLY 136 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2aa9 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aa9 n GLY 137 N 1.10 0.70 3.77 -0.02 0.00 -0.16 -1.11 105.19 109.47 2aa9 n GLY 137 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 2aa9 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aa9 s ALA 138 N -2.00 2.99 -0.29 4.61 0.00 -0.56 -4.11 121.76 122.40 2aa9 s ALA 138 Ca 0.00 1.03 -0.09 0.00 0.00 0.00 0.00 51.96 52.91 2aa9 s ALA 138 Cb 0.00 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 2aa9 s ALA 138 CO 0.00 -0.79 0.12 0.21 0.00 0.00 0.00 175.76 175.30 2aa9 s LYS 139 N -2.66 3.43 -0.02 0.00 2.47 0.42 -4.29 119.74 119.09 2aa9 s LYS 139 Ca 0.64 -0.64 0.01 0.00 -1.56 0.00 0.00 55.97 54.41 2aa9 s LYS 139 Cb -0.32 -3.47 0.01 0.00 -1.46 0.00 0.00 37.83 32.59 2aa9 s LYS 139 CO 0.39 -0.34 -0.03 0.42 0.16 0.00 0.00 175.35 175.94 2aa9 s ILE 140 N 1.61 0.35 -0.07 5.43 1.01 -1.26 -1.33 121.20 126.94 2aa9 s ILE 140 Ca 0.05 -0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.65 2aa9 s ILE 140 Cb -0.16 -0.36 -0.00 0.00 0.01 0.00 0.00 42.46 41.95 2aa9 s ILE 140 CO 0.05 0.14 -0.23 -0.89 0.00 0.00 0.00 174.94 174.01 2aa9 s THR 141 N 0.45 1.94 -0.23 2.92 2.01 -0.27 -4.97 115.64 117.49 2aa9 s THR 141 Ca -0.05 -0.98 -0.26 0.00 0.31 0.00 0.00 61.69 60.71 2aa9 s THR 141 Cb -0.08 -1.67 0.00 0.00 0.01 0.00 0.00 72.50 70.76 2aa9 s THR 141 CO -0.01 0.54 0.91 -0.31 -0.69 0.00 0.00 174.62 175.06 2aa9 s TYR 142 N 0.10 3.33 -0.42 4.92 2.02 -1.26 -0.69 117.35 125.35 2aa9 s TYR 142 Ca -0.10 1.27 0.23 0.00 -0.37 0.00 0.00 57.07 58.09 2aa9 s TYR 142 Cb -0.15 -3.13 0.27 0.00 -0.40 0.00 0.00 41.96 38.54 2aa9 s TYR 142 CO 0.06 -0.42 1.39 -0.07 -1.57 0.00 0.00 175.55 174.94 2aa9 h LEU 143 N 9.24 0.00 0.00 -1.29 3.38 -1.62 -3.46 115.31 121.55 2aa9 h LEU 143 Ca -0.22 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2aa9 h LEU 143 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2aa9 h LEU 143 CO 0.91 0.01 0.00 -0.62 0.09 0.00 0.00 178.44 178.83 2aa9 n GLU 144 N -2.75 0.00 -2.51 1.13 1.02 -1.26 -5.01 120.64 111.26 2aa9 n GLU 144 Ca 0.03 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 2aa9 n GLU 144 Cb 0.52 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.90 2aa9 n GLU 144 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2aa9 s GLN 145 N 2.27 4.58 0.36 3.49 2.00 -1.26 -4.98 119.66 126.12 2aa9 s GLN 145 Ca 0.00 1.72 -0.28 0.00 -2.00 0.00 0.00 55.36 54.80 2aa9 s GLN 145 Cb 0.00 -3.29 -0.11 0.00 0.80 0.00 0.00 33.01 30.41 2aa9 s GLN 145 CO 0.00 0.04 1.47 -1.91 -0.50 0.00 0.00 175.29 174.40 2aa9 n GLU 146 N 2.52 2.61 -1.00 1.67 4.07 -1.26 -2.53 120.64 126.73 2aa9 n GLU 146 Ca 0.03 0.92 0.00 0.00 -0.06 0.00 0.00 57.16 58.05 2aa9 n GLU 146 Cb 0.46 -2.63 0.00 0.00 -0.06 0.00 0.00 31.44 29.21 2aa9 n GLU 146 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2aa9 n ASN 147 N 0.65 -2.23 -4.11 4.31 3.02 -1.26 -5.02 115.26 110.62 2aa9 n ASN 147 Ca 0.02 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.49 2aa9 n ASN 147 Cb 0.38 -0.43 -0.10 0.00 -0.61 0.00 0.00 39.78 39.02 2aa9 n ASN 147 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2aa9 s TYR 148 N -2.51 0.62 0.87 3.10 1.51 -1.05 -1.01 117.35 118.89 2aa9 s TYR 148 Ca 0.00 -1.07 -0.11 0.00 -1.01 0.00 0.00 57.07 54.88 2aa9 s TYR 148 Cb 0.00 -0.42 0.11 0.00 -0.11 0.00 0.00 41.96 41.54 2aa9 s TYR 148 CO 0.00 -0.36 1.09 -2.14 -1.11 0.00 0.00 175.55 173.03 2aa9 s PRO 149 N -3.93 1.50 0.50 -1.71 0.02 -1.26 -4.63 135.00 125.49 2aa9 s PRO 149 Ca 0.10 0.88 -0.19 0.00 0.02 0.00 0.00 61.00 61.81 2aa9 s PRO 149 Cb 0.08 -1.83 -0.08 0.00 0.02 0.00 0.00 34.50 32.69 2aa9 s PRO 149 CO -0.08 -2.09 1.04 -1.25 -0.33 0.00 0.00 177.00 174.29 2aa9 s PRO 150 N -4.94 3.73 0.03 5.54 0.04 -1.26 -4.49 135.00 133.65 2aa9 s PRO 150 Ca 0.63 1.32 0.09 0.00 0.04 0.00 0.00 61.00 63.08 2aa9 s PRO 150 Cb -0.18 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 2aa9 s PRO 150 CO 0.57 -0.48 -0.26 -0.51 0.04 0.00 0.00 177.00 176.35 2aa9 s LEU 151 N -3.66 2.13 -0.25 -3.56 1.43 -0.60 -1.69 118.68 112.48 2aa9 s LEU 151 Ca 0.66 -0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 53.16 2aa9 s LEU 151 Cb -0.16 -1.28 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 2aa9 s LEU 151 CO 0.23 0.27 0.02 -0.60 0.23 0.00 0.00 176.35 176.50 2aa9 s ARG 152 N -1.06 3.33 -0.26 1.70 3.52 0.13 -0.82 118.95 125.50 2aa9 s ARG 152 Ca 0.11 -0.67 -0.10 0.00 -0.13 0.00 0.00 55.73 54.94 2aa9 s ARG 152 Cb -0.10 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 2aa9 s ARG 152 CO 0.01 -0.28 0.14 -0.51 -0.81 0.00 0.00 175.30 173.86 2aa9 s LEU 153 N 1.51 3.84 -0.09 -0.88 1.43 0.19 -1.11 118.68 123.56 2aa9 s LEU 153 Ca 0.05 -0.05 0.13 0.00 -1.03 0.00 0.00 54.13 53.23 2aa9 s LEU 153 Cb -0.15 -2.05 0.28 0.00 0.03 0.00 0.00 46.19 44.29 2aa9 s LEU 153 CO -0.00 -0.02 1.19 0.00 0.23 0.00 0.00 176.35 177.75 2aa9 n GLN 154 N 4.83 2.25 0.00 1.70 6.02 -0.44 -1.36 117.38 130.39 2aa9 n GLN 154 Ca -0.15 -2.32 0.00 0.00 -0.01 0.00 0.00 57.00 54.52 2aa9 n GLN 154 Cb 0.52 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.35 2aa9 n GLN 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2aa9 n GLY 155 N -0.77 -1.89 0.00 1.08 0.00 -1.25 -3.80 105.19 98.56 2aa9 n GLY 155 Ca 0.13 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.78 2aa9 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aa9 n GLY 156 N 0.00 0.55 3.61 -0.02 0.00 0.19 -0.43 105.19 109.09 2aa9 n GLY 156 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2aa9 n GLY 156 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2aa9 s PHE 157 N -2.00 2.13 -0.46 1.61 5.36 -0.15 -3.59 117.98 120.87 2aa9 s PHE 157 Ca 0.00 0.64 0.13 0.00 -0.96 0.00 0.00 56.93 56.73 2aa9 s PHE 157 Cb 0.00 -4.14 -0.16 0.00 -0.34 0.00 0.00 43.02 38.39 2aa9 s PHE 157 CO 0.00 -2.55 0.48 0.25 -1.46 0.00 0.00 175.22 171.94 2aa9 n THR 158 N 6.98 0.00 0.00 0.12 -2.24 -0.26 -4.48 114.28 114.40 2aa9 n THR 158 Ca 0.19 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2aa9 n THR 158 Cb 0.47 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 2aa9 n THR 158 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aa9 n GLY 159 N 1.41 -0.16 0.00 3.38 0.00 -1.15 -1.28 105.19 107.38 2aa9 n GLY 159 Ca 0.01 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.91 2aa9 n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aa9 n GLY 160 N 0.00 -1.10 3.58 -0.02 0.00 0.11 -4.52 105.19 103.23 2aa9 n GLY 160 Ca 0.00 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 2aa9 n GLY 160 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2aa9 s ASN 161 N -4.00 6.52 -0.08 1.61 0.01 -1.26 -1.12 114.94 116.61 2aa9 s ASN 161 Ca 0.00 0.27 0.04 0.00 -0.71 0.00 0.00 52.86 52.46 2aa9 s ASN 161 Cb 0.00 -2.39 0.00 0.00 0.41 0.00 0.00 41.25 39.27 2aa9 s ASN 161 CO 0.00 -0.75 -0.21 -0.69 -1.51 0.00 0.00 177.10 173.94 2aa9 s VAL 162 N 3.10 1.82 0.01 1.60 1.01 -0.36 -4.70 120.40 122.87 2aa9 s VAL 162 Ca 0.31 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 2aa9 s VAL 162 Cb -0.13 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 2aa9 s VAL 162 CO 0.18 0.51 0.16 -1.81 0.00 0.00 0.00 175.10 174.13 2aa9 s ASP 163 N 0.33 6.15 -0.05 3.32 1.01 -1.26 -0.75 116.67 125.42 2aa9 s ASP 163 Ca -0.15 0.26 -0.04 0.00 0.71 0.00 0.00 52.55 53.32 2aa9 s ASP 163 Cb -0.17 -1.87 0.01 0.00 1.01 0.00 0.00 42.92 41.91 2aa9 s ASP 163 CO 0.07 0.24 0.13 0.54 0.21 0.00 0.00 175.17 176.36 2aa9 s VAL 164 N -1.34 -0.00 -0.11 -1.27 0.11 -0.30 -4.16 120.40 113.33 2aa9 s VAL 164 Ca 0.28 0.01 -0.26 0.00 -2.93 0.00 0.00 61.98 59.08 2aa9 s VAL 164 Cb -0.13 -0.20 -0.02 0.00 -1.53 0.00 0.00 36.38 34.51 2aa9 s VAL 164 CO 0.20 0.01 0.85 -0.62 -3.33 0.00 0.00 175.10 172.20 2aa9 s ASP 165 N 0.16 7.06 -0.10 3.54 -1.08 -1.26 -1.28 116.67 123.71 2aa9 s ASP 165 Ca -0.01 1.30 0.14 0.00 -0.52 0.00 0.00 52.55 53.46 2aa9 s ASP 165 Cb -0.02 -2.48 0.44 0.00 -1.46 0.00 0.00 42.92 39.41 2aa9 s ASP 165 CO -0.00 -0.32 1.36 0.61 0.52 0.00 0.00 175.17 177.33 2aa9 n GLY 166 N 3.25 3.45 0.12 2.66 0.00 -1.23 -4.65 105.19 108.79 2aa9 n GLY 166 Ca 0.04 -0.75 0.12 0.00 0.00 0.00 0.00 46.02 45.43 2aa9 n GLY 166 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2aa9 h SER 167 N 1.97 0.00 0.00 1.61 4.64 -1.87 -0.51 113.55 119.39 2aa9 h SER 167 Ca 0.00 -0.06 -0.28 0.00 -0.47 0.00 0.00 61.79 60.98 2aa9 h SER 167 Cb 1.15 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.18 2aa9 h SER 167 CO 0.13 0.03 -2.05 0.52 -0.87 0.00 0.00 176.83 174.59 2aa9 n VAL 168 N -2.46 1.05 -3.67 0.95 0.31 -1.26 -4.75 118.33 108.50 2aa9 n VAL 168 Ca 0.04 -0.52 -0.14 0.00 -0.01 0.00 0.00 64.34 63.71 2aa9 n VAL 168 Cb 0.47 -0.90 -0.08 0.00 -0.91 0.00 0.00 33.84 32.42 2aa9 n VAL 168 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2aa9 s SER 169 N -5.34 -0.61 0.24 4.52 0.15 -1.26 -4.85 113.70 106.55 2aa9 s SER 169 Ca -0.17 1.16 0.26 0.00 0.70 0.00 0.00 55.95 57.90 2aa9 s SER 169 Cb 0.06 1.18 0.72 0.00 -1.71 0.00 0.00 66.02 66.26 2aa9 s SER 169 CO 0.52 -0.21 1.73 0.77 1.20 0.00 0.00 173.24 177.24 2aa9 h SER 170 N 5.15 0.00 0.56 5.45 4.64 -1.82 -3.31 113.55 124.22 2aa9 h SER 170 Ca -0.28 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.00 2aa9 h SER 170 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2aa9 h SER 170 CO 0.14 0.00 -0.16 1.56 -0.87 0.00 0.00 176.83 177.51 2aa9 h GLN 171 N 0.00 0.00 -0.13 4.77 4.20 -1.95 -1.53 115.11 120.47 2aa9 h GLN 171 Ca 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 2aa9 h GLN 171 Cb 0.78 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 2aa9 h GLN 171 CO 0.00 0.16 -0.10 0.74 -0.67 0.00 0.00 178.83 178.95 2aa9 h PHE 172 N 0.00 0.36 -0.61 2.96 0.04 -1.93 -0.94 116.94 116.82 2aa9 h PHE 172 Ca -0.00 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 60.62 2aa9 h PHE 172 Cb 0.48 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.53 2aa9 h PHE 172 CO 0.00 0.68 0.18 1.25 -0.60 0.00 0.00 178.31 179.82 2aa9 h LEU 173 N -0.07 0.90 -0.60 1.54 5.85 -1.72 -2.07 115.31 119.14 2aa9 h LEU 173 Ca 0.02 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.61 2aa9 h LEU 173 Cb 0.61 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 2aa9 h LEU 173 CO 0.03 0.87 0.27 0.74 -0.34 0.00 0.00 178.44 180.01 2aa9 h THR 174 N 0.88 0.84 -0.68 1.05 2.02 -1.17 0.45 112.91 116.30 2aa9 h THR 174 Ca 0.20 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 2aa9 h THR 174 Cb 0.30 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2aa9 h THR 174 CO -0.00 0.09 0.28 0.00 0.37 0.00 0.00 175.52 176.26 2aa9 h ALA 175 N 1.38 0.89 -0.44 6.16 0.00 -0.85 -2.25 119.26 124.15 2aa9 h ALA 175 Ca 0.29 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2aa9 h ALA 175 Cb 0.30 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2aa9 h ALA 175 CO -0.25 0.50 0.04 -0.07 0.00 0.00 0.00 179.25 179.46 2aa9 h LEU 176 N 0.97 0.72 -0.88 0.00 3.38 -0.75 -2.69 115.31 116.06 2aa9 h LEU 176 Ca 0.23 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2aa9 h LEU 176 Cb 0.19 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2aa9 h LEU 176 CO -0.02 0.82 0.58 -0.07 0.09 0.00 0.00 178.44 179.84 2aa9 h LEU 177 N 0.59 0.98 -0.82 1.67 3.38 -0.67 0.31 115.31 120.75 2aa9 h LEU 177 Ca 0.13 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 2aa9 h LEU 177 Cb 0.43 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2aa9 h LEU 177 CO 0.01 0.69 -0.54 0.24 0.09 0.00 0.00 178.44 178.93 2aa9 h MET 178 N 1.15 0.00 0.08 1.13 2.86 -1.33 -3.33 114.93 115.48 2aa9 h MET 178 Ca 0.34 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.82 2aa9 h MET 178 Cb -0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 2aa9 h MET 178 CO -0.09 0.54 -0.75 1.15 1.06 0.00 0.00 176.91 178.82 2aa9 h THR 179 N 0.00 1.43 -0.93 2.22 2.02 -1.13 -3.40 112.91 113.11 2aa9 h THR 179 Ca -0.01 -2.41 0.21 0.00 0.77 0.00 0.00 66.41 64.98 2aa9 h THR 179 Cb 1.03 3.04 -0.12 0.00 -1.74 0.00 0.00 68.15 70.37 2aa9 h THR 179 CO 0.07 0.63 0.48 0.00 0.37 0.00 0.00 175.52 177.08 2aa9 h ALA 180 N -0.04 1.54 -0.41 6.16 0.00 -1.05 -1.97 119.26 123.49 2aa9 h ALA 180 Ca -0.16 0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.00 2aa9 h ALA 180 Cb 1.43 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 2aa9 h ALA 180 CO 0.04 -0.25 0.33 -1.35 0.00 0.00 0.00 179.25 178.02 2aa9 h PRO 181 N 0.53 0.00 -0.01 0.00 0.11 -1.78 -0.94 132.00 129.90 2aa9 h PRO 181 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 2aa9 h PRO 181 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2aa9 h PRO 181 CO -0.47 0.00 -0.19 1.28 -0.21 0.00 0.00 178.00 178.41 2aa9 n LEU 182 N -4.18 0.92 -4.80 2.35 4.32 -0.74 -0.81 117.00 114.06 2aa9 n LEU 182 Ca 0.07 -0.22 -0.33 0.00 -0.02 0.00 0.00 56.01 55.51 2aa9 n LEU 182 Cb 0.52 -0.12 -0.01 0.00 -1.62 0.00 0.00 43.42 42.18 2aa9 n LEU 182 CO 0.34 0.17 0.72 0.00 -1.22 0.00 0.00 177.39 177.39 2aa9 s ALA 183 N -2.44 2.81 0.24 -1.18 0.00 -0.36 -4.61 121.76 116.22 2aa9 s ALA 183 Ca 0.27 0.47 -0.02 0.00 0.00 0.00 0.00 51.96 52.68 2aa9 s ALA 183 Cb 0.20 -3.23 0.26 0.00 0.00 0.00 0.00 23.12 20.34 2aa9 s ALA 183 CO 0.49 -0.57 1.66 -1.00 0.00 0.00 0.00 175.76 176.34 2aa9 h PRO 184 N 0.94 0.67 -6.17 0.00 0.13 -1.85 0.19 132.00 125.91 2aa9 h PRO 184 Ca -0.48 -0.27 -0.50 0.00 -0.87 0.00 0.00 66.00 63.88 2aa9 h PRO 184 Cb 1.22 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2aa9 h PRO 184 CO 0.58 0.85 -0.41 -1.21 -0.23 0.00 0.00 178.00 177.58 2aa9 s GLU 185 N -4.57 3.45 0.59 0.86 2.02 -0.41 -3.99 118.70 116.66 2aa9 s GLU 185 Ca -0.08 -0.61 -0.19 0.00 0.02 0.00 0.00 54.97 54.11 2aa9 s GLU 185 Cb 0.13 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 2aa9 s GLU 185 CO 0.82 0.44 1.20 -0.51 0.02 0.00 0.00 175.26 177.22 2aa9 s ASP 186 N -3.61 5.24 -0.02 -0.19 -0.00 -1.26 -3.93 116.67 112.90 2aa9 s ASP 186 Ca 0.35 2.36 0.05 0.00 -0.00 0.00 0.00 52.55 55.31 2aa9 s ASP 186 Cb -0.10 -2.60 -0.01 0.00 -0.00 0.00 0.00 42.92 40.21 2aa9 s ASP 186 CO 0.29 -1.56 -0.16 -0.89 -0.00 0.00 0.00 175.17 172.86 2aa9 s THR 187 N -1.62 1.28 -0.25 -1.27 2.01 0.20 -0.72 115.64 115.26 2aa9 s THR 187 Ca 0.77 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 62.10 2aa9 s THR 187 Cb -0.30 -1.07 0.05 0.00 0.01 0.00 0.00 72.50 71.19 2aa9 s THR 187 CO 0.32 0.36 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.82 2aa9 s VAL 188 N -0.30 2.36 -0.37 3.82 1.01 -0.28 -0.30 120.40 126.34 2aa9 s VAL 188 Ca 0.05 -1.41 -0.15 0.00 0.00 0.00 0.00 61.98 60.46 2aa9 s VAL 188 Cb -0.07 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 2aa9 s VAL 188 CO -0.00 0.08 0.34 -0.63 0.00 0.00 0.00 175.10 174.89 2aa9 s ILE 189 N 1.18 5.20 -0.21 2.22 1.01 0.14 -1.22 121.20 129.51 2aa9 s ILE 189 Ca -0.05 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 2aa9 s ILE 189 Cb -0.18 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 2aa9 s ILE 189 CO -0.06 -0.17 0.11 -0.60 0.00 0.00 0.00 174.94 174.22 2aa9 s ARG 190 N 1.92 4.04 -0.12 2.79 3.00 0.07 -0.61 118.95 130.04 2aa9 s ARG 190 Ca 0.09 -0.30 -0.25 0.00 -1.00 0.00 0.00 55.73 54.27 2aa9 s ARG 190 Cb -0.17 -3.37 -0.02 0.00 0.00 0.00 0.00 34.95 31.38 2aa9 s ARG 190 CO 0.11 0.19 0.82 0.42 0.00 0.00 0.00 175.30 176.84 2aa9 s ILE 191 N 0.64 4.93 0.13 4.11 -1.09 -0.43 -1.15 121.20 128.35 2aa9 s ILE 191 Ca 0.06 1.64 -0.18 0.00 -2.23 0.00 0.00 60.65 59.94 2aa9 s ILE 191 Cb -0.12 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 2aa9 s ILE 191 CO 0.01 0.11 1.77 0.11 -1.23 0.00 0.00 174.94 175.71 2aa9 h LYS 192 N 7.09 0.27 0.00 2.79 1.57 -1.52 -3.47 116.57 123.31 2aa9 h LYS 192 Ca -0.34 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 2aa9 h LYS 192 Cb 1.16 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2aa9 h LYS 192 CO 0.80 0.18 0.00 0.41 -0.57 0.00 0.00 179.45 180.27 2aa9 n GLY 193 N -1.17 2.95 3.86 3.86 0.00 -1.26 -5.07 105.19 108.36 2aa9 n GLY 193 Ca -0.02 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 2aa9 n GLY 193 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aa9 s ASP 194 N 1.23 5.95 -0.15 1.61 1.01 -1.26 -4.91 116.67 120.14 2aa9 s ASP 194 Ca 0.00 1.39 -0.01 0.00 0.71 0.00 0.00 52.55 54.65 2aa9 s ASP 194 Cb 0.00 -2.37 0.04 0.00 1.01 0.00 0.00 42.92 41.60 2aa9 s ASP 194 CO 0.00 -1.05 -0.06 -0.22 0.21 0.00 0.00 175.17 174.06 2aa9 s LEU 195 N -5.27 1.51 0.46 1.23 2.96 -1.25 -2.64 118.68 115.67 2aa9 s LEU 195 Ca 0.56 -0.58 -0.12 0.00 -0.22 0.00 0.00 54.13 53.77 2aa9 s LEU 195 Cb -0.11 -0.89 -0.06 0.00 0.50 0.00 0.00 46.19 45.62 2aa9 s LEU 195 CO 0.54 -0.17 0.85 0.68 -1.32 0.00 0.00 176.35 176.93 2aa9 s VAL 196 N 1.65 4.71 -1.40 1.68 -7.23 -0.20 -4.44 120.40 115.18 2aa9 s VAL 196 Ca 0.02 0.79 -0.13 0.00 -1.81 0.00 0.00 61.98 60.84 2aa9 s VAL 196 Cb -0.15 -3.75 0.02 0.00 0.56 0.00 0.00 36.38 33.06 2aa9 s VAL 196 CO -0.08 -0.63 0.32 -1.20 -0.31 0.00 0.00 175.10 173.20 2aa9 n SER 197 N -1.54 -1.25 -0.28 4.85 7.64 -1.23 -4.19 113.62 117.62 2aa9 n SER 197 Ca 0.04 -1.24 0.26 0.00 1.01 0.00 0.00 58.87 58.93 2aa9 n SER 197 Cb 0.54 -1.87 0.60 0.00 -1.01 0.00 0.00 64.21 62.47 2aa9 n SER 197 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2aa9 h LYS 198 N -2.10 0.23 -0.36 1.43 3.64 -1.86 -2.51 116.57 115.04 2aa9 h LYS 198 Ca -0.68 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 58.79 2aa9 h LYS 198 Cb 1.40 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 2aa9 h LYS 198 CO 0.62 0.15 0.31 -1.35 -2.27 0.00 0.00 179.45 176.91 2aa9 h PRO 199 N 0.23 0.00 0.00 1.90 0.11 -1.89 0.34 132.00 132.70 2aa9 h PRO 199 Ca 0.54 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.61 2aa9 h PRO 199 Cb 1.66 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.76 2aa9 h PRO 199 CO -0.16 0.00 -0.19 1.88 -0.21 0.00 0.00 178.00 179.32 2aa9 h TYR 200 N 0.00 0.00 -0.14 0.65 -1.99 -1.82 -1.70 116.97 111.98 2aa9 h TYR 200 Ca 0.17 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.69 2aa9 h TYR 200 Cb 0.79 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.52 2aa9 h TYR 200 CO 0.00 0.19 -0.75 0.82 -0.00 0.00 0.00 178.16 178.42 2aa9 h ILE 201 N 0.00 1.31 -0.52 -2.88 1.08 -1.12 -2.24 117.51 113.15 2aa9 h ILE 201 Ca -0.00 -2.00 -0.05 0.00 -0.39 0.00 0.00 64.86 62.42 2aa9 h ILE 201 Cb 0.71 1.99 -0.02 0.00 -3.07 0.00 0.00 36.82 36.43 2aa9 h ILE 201 CO 0.02 0.63 0.12 0.44 -0.69 0.00 0.00 178.15 178.67 2aa9 h ASP 202 N 0.47 0.74 -0.38 1.72 3.45 -1.12 -0.85 116.42 120.45 2aa9 h ASP 202 Ca -0.04 -0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.28 2aa9 h ASP 202 Cb 1.36 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.92 2aa9 h ASP 202 CO 0.15 0.73 0.19 0.40 -1.57 0.00 0.00 179.24 179.14 2aa9 h ILE 203 N 0.76 1.16 -0.51 0.35 2.04 -1.16 -1.76 117.51 118.40 2aa9 h ILE 203 Ca 0.17 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.60 2aa9 h ILE 203 Cb 0.29 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2aa9 h ILE 203 CO -0.00 0.17 0.32 0.74 0.00 0.00 0.00 178.15 179.38 2aa9 h THR 204 N 0.48 1.10 -0.25 -0.27 2.02 -0.78 -1.46 112.91 113.74 2aa9 h THR 204 Ca 0.13 -0.22 -0.09 0.00 0.77 0.00 0.00 66.41 67.00 2aa9 h THR 204 Cb 0.10 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2aa9 h THR 204 CO -0.02 0.12 -0.24 -0.07 0.37 0.00 0.00 175.52 175.68 2aa9 h LEU 205 N 0.65 0.48 -0.12 2.58 3.38 -1.02 -0.68 115.31 120.59 2aa9 h LEU 205 Ca 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2aa9 h LEU 205 Cb -0.04 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2aa9 h LEU 205 CO -0.06 0.72 0.03 -1.13 0.09 0.00 0.00 178.44 178.09 2aa9 h ASN 206 N 0.42 0.17 -0.61 -0.43 -0.73 -1.03 -0.94 115.58 112.44 2aa9 h ASN 206 Ca 0.06 -0.22 -0.03 0.00 1.87 0.00 0.00 56.30 57.98 2aa9 h ASN 206 Cb 0.65 -0.05 -0.03 0.00 0.27 0.00 0.00 38.32 39.17 2aa9 h ASN 206 CO 0.05 0.35 0.25 -0.07 -0.37 0.00 0.00 177.43 177.63 2aa9 h LEU 207 N -0.01 0.84 -0.88 0.34 -0.00 -1.04 -1.42 115.31 113.13 2aa9 h LEU 207 Ca 0.04 -0.17 0.01 0.00 -0.00 0.00 0.00 57.88 57.76 2aa9 h LEU 207 Cb 0.24 -0.22 -0.04 0.00 -0.00 0.00 0.00 40.66 40.64 2aa9 h LEU 207 CO -0.00 0.78 0.58 0.24 -0.00 0.00 0.00 178.44 180.04 2aa9 h MET 208 N 0.85 1.16 -0.69 1.13 2.86 -0.99 -1.85 114.93 117.40 2aa9 h MET 208 Ca 0.20 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2aa9 h MET 208 Cb 0.20 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 2aa9 h MET 208 CO -0.02 0.77 0.23 -0.22 1.06 0.00 0.00 176.91 178.74 2aa9 h LYS 209 N 1.20 1.07 -0.83 1.72 3.64 -0.70 -0.45 116.57 122.21 2aa9 h LYS 209 Ca 0.32 -0.22 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 2aa9 h LYS 209 Cb -0.14 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.47 2aa9 h LYS 209 CO -0.07 0.91 0.55 1.15 -2.27 0.00 0.00 179.45 179.72 2aa9 h THR 210 N 1.01 1.05 -0.26 1.00 2.02 -0.64 -0.70 112.91 116.38 2aa9 h THR 210 Ca 0.23 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2aa9 h THR 210 Cb 0.27 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 2aa9 h THR 210 CO -0.01 0.17 0.00 0.49 0.37 0.00 0.00 175.52 176.54 2aa9 n PHE 211 N -4.49 0.85 -0.68 3.16 3.72 -0.75 -4.50 117.46 114.77 2aa9 n PHE 211 Ca 0.13 -0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 2aa9 n PHE 211 Cb 0.21 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 2aa9 n PHE 211 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2aa9 n GLY 212 N 0.37 0.63 3.07 1.37 0.00 -0.27 -0.45 105.19 109.91 2aa9 n GLY 212 Ca 0.12 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 2aa9 n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aa9 s VAL 213 N -2.00 1.11 0.12 1.61 1.01 -0.24 -4.90 120.40 117.11 2aa9 s VAL 213 Ca 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.50 2aa9 s VAL 213 Cb 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2aa9 s VAL 213 CO 0.00 0.33 -0.15 -1.61 0.00 0.00 0.00 175.10 173.67 2aa9 s GLU 214 N 0.14 1.03 0.35 2.72 2.02 -1.26 -2.22 118.70 121.47 2aa9 s GLU 214 Ca -0.04 -1.23 0.05 0.00 0.02 0.00 0.00 54.97 53.76 2aa9 s GLU 214 Cb -0.10 -0.95 -0.03 0.00 0.10 0.00 0.00 34.13 33.15 2aa9 s GLU 214 CO 0.01 0.18 0.18 0.96 0.02 0.00 0.00 175.26 176.62 2aa9 s ILE 215 N -2.06 0.32 -0.38 -1.63 -5.25 -1.26 -4.81 121.20 106.12 2aa9 s ILE 215 Ca 0.09 -2.00 -0.13 0.00 -0.99 0.00 0.00 60.65 57.62 2aa9 s ILE 215 Cb -0.05 -2.45 0.02 0.00 2.95 0.00 0.00 42.46 42.92 2aa9 s ILE 215 CO 0.03 0.00 0.25 -0.70 -1.79 0.00 0.00 174.94 172.73 2aa9 s GLU 216 N -3.68 3.01 -0.36 0.37 2.12 -0.04 -4.97 118.70 115.16 2aa9 s GLU 216 Ca 0.33 -0.97 -0.16 0.00 0.36 0.00 0.00 54.97 54.53 2aa9 s GLU 216 Cb 0.03 -3.85 -0.00 0.00 0.26 0.00 0.00 34.13 30.57 2aa9 s GLU 216 CO 0.19 -0.67 0.41 1.21 -0.54 0.00 0.00 175.26 175.86 2aa9 s ASN 217 N 1.64 6.21 -0.96 -1.70 3.84 -1.26 -0.54 114.94 122.16 2aa9 s ASN 217 Ca 0.04 -0.31 -0.12 0.00 0.21 0.00 0.00 52.86 52.68 2aa9 s ASN 217 Cb -0.19 -2.22 0.24 0.00 -0.55 0.00 0.00 41.25 38.54 2aa9 s ASN 217 CO 0.09 -0.42 0.93 -1.10 -2.79 0.00 0.00 177.10 173.80 2aa9 s GLN 218 N 2.11 3.87 -1.29 0.43 -0.21 0.78 -4.69 119.66 120.66 2aa9 s GLN 218 Ca 0.13 -2.78 -0.11 0.00 0.02 0.00 0.00 55.36 52.62 2aa9 s GLN 218 Cb -0.16 -4.50 0.09 0.00 1.00 0.00 0.00 33.01 29.44 2aa9 s GLN 218 CO 0.12 -1.28 0.50 0.72 -2.12 0.00 0.00 175.29 173.23 2aa9 n HIS 219 N 3.49 -1.74 -1.64 0.91 8.25 -1.26 -0.93 115.22 122.30 2aa9 n HIS 219 Ca 0.19 0.49 -0.20 0.00 -0.26 0.00 0.00 57.72 57.94 2aa9 n HIS 219 Cb 0.44 -2.70 -0.08 0.00 1.12 0.00 0.00 29.99 28.77 2aa9 n HIS 219 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2aa9 n TYR 220 N -3.89 -0.10 -0.05 4.41 4.02 -1.26 -4.79 117.16 115.50 2aa9 n TYR 220 Ca 0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.87 2aa9 n TYR 220 Cb 0.52 -3.43 -0.10 0.00 -0.02 0.00 0.00 39.34 36.31 2aa9 n TYR 220 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2aa9 n GLN 221 N -2.38 1.54 -3.70 -0.72 1.13 -0.10 -4.83 117.38 108.32 2aa9 n GLN 221 Ca -0.20 -0.03 -0.14 0.00 -1.94 0.00 0.00 57.00 54.68 2aa9 n GLN 221 Cb 0.67 -1.33 -0.09 0.00 0.11 0.00 0.00 30.24 29.60 2aa9 n GLN 221 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2aa9 s GLN 222 N -2.47 0.63 -0.14 -1.09 0.74 -1.11 -1.32 119.66 114.91 2aa9 s GLN 222 Ca -0.06 0.54 -0.00 0.00 0.05 0.00 0.00 55.36 55.88 2aa9 s GLN 222 Cb 0.05 0.30 0.03 0.00 1.10 0.00 0.00 33.01 34.49 2aa9 s GLN 222 CO 0.54 -0.11 -0.10 -0.06 -0.55 0.00 0.00 175.29 175.02 2aa9 s PHE 223 N -0.07 1.80 -0.26 1.67 0.40 0.22 -0.16 117.98 121.59 2aa9 s PHE 223 Ca -0.03 -1.00 -0.14 0.00 -0.60 0.00 0.00 56.93 55.17 2aa9 s PHE 223 Cb -0.03 -1.39 -0.04 0.00 0.51 0.00 0.00 43.02 42.06 2aa9 s PHE 223 CO 0.02 -0.59 0.32 0.08 0.70 0.00 0.00 175.22 175.74 2aa9 s VAL 224 N 1.60 5.23 -0.11 -0.44 1.01 0.30 -0.69 120.40 127.30 2aa9 s VAL 224 Ca 0.04 0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.53 2aa9 s VAL 224 Cb -0.13 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2aa9 s VAL 224 CO -0.09 0.22 -0.23 -0.69 0.00 0.00 0.00 175.10 174.30 2aa9 s VAL 225 N 1.74 2.04 -0.02 2.92 1.01 0.59 -0.86 120.40 127.83 2aa9 s VAL 225 Ca 0.13 -1.00 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 2aa9 s VAL 225 Cb -0.15 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 2aa9 s VAL 225 CO 0.09 0.55 0.72 -0.54 0.00 0.00 0.00 175.10 175.92 2aa9 s LYS 226 N 0.51 4.44 0.74 2.72 1.02 -1.26 -0.63 119.74 127.28 2aa9 s LYS 226 Ca -0.15 0.94 -0.10 0.00 0.02 0.00 0.00 55.97 56.69 2aa9 s LYS 226 Cb -0.17 -3.40 0.16 0.00 -0.52 0.00 0.00 37.83 33.90 2aa9 s LYS 226 CO 0.05 0.18 1.01 0.41 -0.92 0.00 0.00 175.35 176.08 2aa9 n GLY 227 N 2.74 -0.85 2.34 -3.33 0.00 -1.25 -4.46 105.19 100.38 2aa9 n GLY 227 Ca -0.02 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 2aa9 n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aa9 n GLY 228 N -1.83 1.24 3.97 -0.02 0.00 0.68 -4.88 105.19 104.34 2aa9 n GLY 228 Ca 0.13 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 2aa9 n GLY 228 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aa9 s GLN 229 N -3.09 1.81 -0.02 1.61 -0.21 0.01 -5.02 119.66 114.75 2aa9 s GLN 229 Ca 0.00 -0.78 -0.02 0.00 0.02 0.00 0.00 55.36 54.58 2aa9 s GLN 229 Cb 0.00 -2.26 0.00 0.00 1.00 0.00 0.00 33.01 31.75 2aa9 s GLN 229 CO 0.00 -1.39 0.05 -1.12 -2.12 0.00 0.00 175.29 170.71 2aa9 s SER 230 N -4.65 -0.05 0.28 5.90 0.01 -1.26 -4.49 113.70 109.44 2aa9 s SER 230 Ca 0.64 0.10 -0.20 0.00 1.31 0.00 0.00 55.95 57.80 2aa9 s SER 230 Cb -0.07 0.10 -0.09 0.00 0.21 0.00 0.00 66.02 66.17 2aa9 s SER 230 CO 0.44 -0.02 0.79 -0.31 0.41 0.00 0.00 173.24 174.55 2aa9 s TYR 231 N 0.01 3.56 -0.03 2.43 2.02 -1.26 -4.79 117.35 119.29 2aa9 s TYR 231 Ca -0.00 1.44 0.05 0.00 -0.37 0.00 0.00 57.07 58.19 2aa9 s TYR 231 Cb -0.00 -2.67 -0.01 0.00 -0.40 0.00 0.00 41.96 38.87 2aa9 s TYR 231 CO 0.00 0.22 -0.19 -0.65 -1.57 0.00 0.00 175.55 173.36 2aa9 s GLN 232 N -2.34 1.72 0.33 -0.62 -1.52 0.41 -1.29 119.66 116.35 2aa9 s GLN 232 Ca 0.49 -0.67 -0.29 0.00 -1.95 0.00 0.00 55.36 52.94 2aa9 s GLN 232 Cb -0.15 -1.57 -0.12 0.00 -0.22 0.00 0.00 33.01 30.96 2aa9 s GLN 232 CO 0.20 0.34 1.44 0.45 -0.25 0.00 0.00 175.29 177.47 2aa9 n SER 233 N 2.85 3.37 -0.63 5.90 2.88 -0.33 -4.39 113.62 123.26 2aa9 n SER 233 Ca -0.16 1.20 0.09 0.00 -1.33 0.00 0.00 58.87 58.67 2aa9 n SER 233 Cb 0.53 -1.55 0.31 0.00 -0.75 0.00 0.00 64.21 62.75 2aa9 n SER 233 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2aa9 n PRO 234 N 0.99 1.82 0.00 -1.46 -0.04 -1.26 -5.00 135.00 130.05 2aa9 n PRO 234 Ca 0.05 -1.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 2aa9 n PRO 234 Cb 0.37 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2aa9 n PRO 234 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2aa9 n GLY 235 N 1.15 1.54 3.86 0.55 0.00 -1.26 -4.76 105.19 106.27 2aa9 n GLY 235 Ca 0.15 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 2aa9 n GLY 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aa9 s THR 236 N 0.00 5.48 -0.02 2.61 -4.23 -1.26 -0.82 115.64 117.39 2aa9 s THR 236 Ca 0.00 0.20 -0.00 0.00 -1.18 0.00 0.00 61.69 60.71 2aa9 s THR 236 Cb 0.00 -3.40 0.03 0.00 1.34 0.00 0.00 72.50 70.47 2aa9 s THR 236 CO 0.00 0.60 0.02 -0.47 -0.54 0.00 0.00 174.62 174.23 2aa9 s TYR 237 N -0.87 0.11 -0.28 3.99 5.04 0.17 -4.94 117.35 120.56 2aa9 s TYR 237 Ca 0.14 0.10 -0.16 0.00 -2.44 0.00 0.00 57.07 54.71 2aa9 s TYR 237 Cb -0.12 -0.31 -0.03 0.00 0.35 0.00 0.00 41.96 41.86 2aa9 s TYR 237 CO 0.03 -0.11 0.45 -1.17 -1.34 0.00 0.00 175.55 173.41 2aa9 s LEU 238 N 1.16 4.10 0.01 6.97 2.96 -1.26 -1.23 118.68 131.39 2aa9 s LEU 238 Ca -0.08 0.31 -0.30 0.00 -0.22 0.00 0.00 54.13 53.83 2aa9 s LEU 238 Cb -0.13 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.99 2aa9 s LEU 238 CO -0.03 -0.27 1.05 -0.69 -1.32 0.00 0.00 176.35 175.09 2aa9 s VAL 239 N 2.21 4.62 0.68 1.68 1.01 -0.03 -4.96 120.40 125.61 2aa9 s VAL 239 Ca 0.18 1.89 -0.17 0.00 0.00 0.00 0.00 61.98 63.87 2aa9 s VAL 239 Cb -0.16 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.02 2aa9 s VAL 239 CO 0.10 0.13 1.25 -1.61 0.00 0.00 0.00 175.10 174.98 2aa9 s GLU 240 N 1.13 2.39 0.81 2.72 2.02 -1.26 -4.72 118.70 121.79 2aa9 s GLU 240 Ca 0.54 1.93 -0.11 0.00 0.02 0.00 0.00 54.97 57.34 2aa9 s GLU 240 Cb -0.23 -1.84 0.08 0.00 0.10 0.00 0.00 34.13 32.24 2aa9 s GLU 240 CO 0.27 -1.68 1.13 0.20 0.02 0.00 0.00 175.26 175.20 2aa9 s GLY 241 N -1.66 1.82 -0.35 -1.39 0.00 -0.03 -0.55 107.32 105.16 2aa9 s GLY 241 Ca 0.79 0.50 -0.28 0.00 0.00 0.00 0.00 44.72 45.73 2aa9 s GLY 241 CO 0.41 0.88 1.02 -0.35 0.00 0.00 0.00 173.10 175.07 2aa9 s ASP 242 N -2.86 6.80 0.40 1.64 2.15 0.18 -4.25 116.67 120.73 2aa9 s ASP 242 Ca 0.66 0.81 0.20 0.00 0.43 0.00 0.00 52.55 54.65 2aa9 s ASP 242 Cb -0.21 -2.51 0.80 0.00 -0.30 0.00 0.00 42.92 40.70 2aa9 s ASP 242 CO 0.54 -0.91 1.79 0.00 -0.17 0.00 0.00 175.17 176.42 2aa9 h ALA 243 N 8.35 1.05 -0.09 3.66 0.00 -1.92 -1.53 119.26 128.78 2aa9 h ALA 243 Ca -0.22 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.22 2aa9 h ALA 243 Cb 1.07 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.82 2aa9 h ALA 243 CO 1.02 0.40 -0.65 0.77 0.00 0.00 0.00 179.25 180.79 2aa9 h SER 244 N 0.00 0.73 0.18 0.00 0.02 -1.91 -2.96 113.55 109.60 2aa9 h SER 244 Ca -0.00 -0.67 -0.04 0.00 -0.84 0.00 0.00 61.79 60.24 2aa9 h SER 244 Cb 0.80 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 2aa9 h SER 244 CO 0.04 1.28 -0.18 0.28 -1.14 0.00 0.00 176.83 177.11 2aa9 h SER 245 N 0.23 0.00 0.51 3.07 0.02 -1.93 -2.06 113.55 113.39 2aa9 h SER 245 Ca -0.06 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 2aa9 h SER 245 Cb 1.30 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 2aa9 h SER 245 CO 0.13 0.19 -0.27 0.00 -1.14 0.00 0.00 176.83 175.75 2aa9 h ALA 246 N 1.81 1.25 -0.94 3.77 0.00 -1.14 -3.27 119.26 120.74 2aa9 h ALA 246 Ca -0.00 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.77 2aa9 h ALA 246 Cb 0.33 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 2aa9 h ALA 246 CO 0.02 0.33 0.60 0.66 0.00 0.00 0.00 179.25 180.87 2aa9 h SER 247 N 0.00 0.85 -0.76 0.00 4.64 -1.21 -1.96 113.55 115.10 2aa9 h SER 247 Ca -0.00 0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 2aa9 h SER 247 Cb 0.59 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 2aa9 h SER 247 CO 0.03 0.49 0.31 1.88 -0.87 0.00 0.00 176.83 178.67 2aa9 h TYR 248 N 0.93 1.16 -0.06 4.77 0.05 -1.74 -0.15 116.97 121.94 2aa9 h TYR 248 Ca 0.45 -0.08 -0.25 0.00 0.05 0.00 0.00 58.73 58.89 2aa9 h TYR 248 Cb 0.44 -0.35 0.02 0.00 1.01 0.00 0.00 36.73 37.85 2aa9 h TYR 248 CO -0.00 0.88 -0.94 0.74 -1.05 0.00 0.00 178.16 177.78 2aa9 h PHE 249 N 1.10 1.03 -0.44 4.88 0.04 -1.58 -0.03 116.94 121.93 2aa9 h PHE 249 Ca 0.26 -0.52 -0.06 0.00 2.80 0.00 0.00 57.97 60.44 2aa9 h PHE 249 Cb 0.20 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 2aa9 h PHE 249 CO 0.02 1.36 0.03 -0.07 -0.60 0.00 0.00 178.31 179.04 2aa9 h LEU 250 N 0.44 0.74 -0.91 1.54 3.38 -1.30 -2.51 115.31 116.69 2aa9 h LEU 250 Ca -0.10 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 2aa9 h LEU 250 Cb 1.59 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 2aa9 h LEU 250 CO 0.19 0.85 0.13 0.00 0.09 0.00 0.00 178.44 179.69 2aa9 h ALA 251 N 0.92 1.11 -0.87 1.53 0.00 -0.99 -1.85 119.26 119.11 2aa9 h ALA 251 Ca 0.13 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.89 2aa9 h ALA 251 Cb 0.45 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 2aa9 h ALA 251 CO 0.02 0.59 0.53 0.00 0.00 0.00 0.00 179.25 180.39 2aa9 h ALA 252 N 1.25 1.23 -0.33 0.00 0.00 -0.68 -1.01 119.26 119.72 2aa9 h ALA 252 Ca 0.19 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 2aa9 h ALA 252 Cb 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2aa9 h ALA 252 CO 0.00 0.23 -0.37 0.00 0.00 0.00 0.00 179.25 179.11 2aa9 h ALA 253 N 1.44 0.72 0.00 0.00 0.00 -1.00 0.19 119.26 120.60 2aa9 h ALA 253 Ca 0.40 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2aa9 h ALA 253 Cb 0.26 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2aa9 h ALA 253 CO -0.21 0.66 -0.11 0.00 0.00 0.00 0.00 179.25 179.60 2aa9 h ALA 254 N 0.94 1.80 0.09 0.00 0.00 -0.53 0.26 119.26 121.82 2aa9 h ALA 254 Ca 0.06 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 2aa9 h ALA 254 Cb 0.92 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2aa9 h ALA 254 CO 0.08 0.13 -1.55 0.82 0.00 0.00 0.00 179.25 178.74 2aa9 h ILE 255 N 0.00 0.89 0.00 0.00 2.04 -0.94 -3.41 117.51 116.09 2aa9 h ILE 255 Ca -0.00 -2.33 -0.01 0.00 1.00 0.00 0.00 64.86 63.52 2aa9 h ILE 255 Cb 0.19 2.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.79 2aa9 h ILE 255 CO 0.01 0.67 -0.45 1.17 0.00 0.00 0.00 178.15 179.56 2aa9 n LYS 256 N -3.91 0.24 -1.97 2.37 3.00 0.63 -5.07 118.16 113.45 2aa9 n LYS 256 Ca -0.29 -1.37 -0.22 0.00 -0.00 0.00 0.00 58.31 56.43 2aa9 n LYS 256 Cb 0.89 -0.66 0.13 0.00 0.00 0.00 0.00 35.03 35.40 2aa9 n LYS 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2aa9 n GLY 257 N -0.23 -0.31 0.13 3.14 0.00 0.07 -1.61 105.19 106.39 2aa9 n GLY 257 Ca 0.03 -1.87 0.02 0.00 0.00 0.00 0.00 46.02 44.20 2aa9 n GLY 257 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aa9 n GLY 258 N -1.91 -2.06 3.08 -0.02 0.00 -1.26 -4.55 105.19 98.48 2aa9 n GLY 258 Ca 0.14 -1.46 -0.27 0.00 0.00 0.00 0.00 46.02 44.43 2aa9 n GLY 258 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aa9 s THR 259 N -2.19 1.42 -0.13 2.61 2.01 -1.26 -1.93 115.64 116.17 2aa9 s THR 259 Ca 0.00 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.38 2aa9 s THR 259 Cb 0.00 -1.27 0.00 0.00 0.01 0.00 0.00 72.50 71.25 2aa9 s THR 259 CO 0.00 0.42 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.45 2aa9 s VAL 260 N 0.58 2.20 -0.11 3.82 1.01 -0.43 -1.51 120.40 125.97 2aa9 s VAL 260 Ca -0.16 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 2aa9 s VAL 260 Cb -0.16 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 2aa9 s VAL 260 CO 0.05 0.55 -0.07 -0.75 0.00 0.00 0.00 175.10 174.88 2aa9 s LYS 261 N 0.69 3.18 -0.08 2.72 2.20 -0.11 -1.25 119.74 127.09 2aa9 s LYS 261 Ca -0.10 -0.56 0.03 0.00 -0.36 0.00 0.00 55.97 54.99 2aa9 s LYS 261 Cb -0.16 -2.71 -0.02 0.00 -1.51 0.00 0.00 37.83 33.43 2aa9 s LYS 261 CO 0.01 0.45 -0.17 0.14 -0.36 0.00 0.00 175.35 175.42 2aa9 s VAL 262 N -0.22 2.79 0.19 4.02 -7.23 -0.19 -0.55 120.40 119.20 2aa9 s VAL 262 Ca 0.03 -0.80 0.08 0.00 -1.81 0.00 0.00 61.98 59.48 2aa9 s VAL 262 Cb -0.13 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 2aa9 s VAL 262 CO 0.03 0.57 -0.03 0.42 -0.31 0.00 0.00 175.10 175.78 2aa9 s THR 263 N -0.25 3.54 0.00 5.32 -4.23 0.08 -1.76 115.64 118.35 2aa9 s THR 263 Ca 0.01 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 2aa9 s THR 263 Cb -0.13 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.92 2aa9 s THR 263 CO 0.03 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 2aa9 n GLY 264 N -0.21 0.86 3.05 3.99 0.00 -0.64 -1.95 105.19 110.30 2aa9 n GLY 264 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 2aa9 n GLY 264 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2aa9 s ILE 265 N -2.07 0.21 0.00 -0.61 -4.36 -1.25 -0.85 121.20 112.27 2aa9 s ILE 265 Ca 0.00 -1.44 0.00 0.00 -0.26 0.00 0.00 60.65 58.95 2aa9 s ILE 265 Cb 0.00 -1.01 0.00 0.00 1.25 0.00 0.00 42.46 42.70 2aa9 s ILE 265 CO 0.00 -0.78 0.00 0.61 0.24 0.00 0.00 174.94 175.01 2aa9 n GLY 266 N 0.72 2.62 0.29 6.27 0.00 -1.26 -0.92 105.19 112.91 2aa9 n GLY 266 Ca -0.18 -0.85 0.15 0.00 0.00 0.00 0.00 46.02 45.14 2aa9 n GLY 266 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2aa9 h ARG 267 N 0.00 0.00 -0.02 1.61 -0.00 -1.58 -2.19 114.38 112.20 2aa9 h ARG 267 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2aa9 h ARG 267 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 2aa9 h ARG 267 CO 0.00 0.05 -0.03 0.09 -0.00 0.00 0.00 179.97 180.08 2aa9 n ASN 268 N -3.66 1.98 -4.64 0.08 3.02 -1.26 -4.99 115.26 105.79 2aa9 n ASN 268 Ca -0.02 -1.63 -0.39 0.00 -0.03 0.00 0.00 54.58 52.50 2aa9 n ASN 268 Cb 0.14 0.02 0.03 0.00 -0.61 0.00 0.00 39.78 39.37 2aa9 n ASN 268 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2aa9 n SER 269 N 0.50 1.33 0.04 6.41 7.64 -0.83 -4.92 113.62 123.81 2aa9 n SER 269 Ca 0.17 0.93 0.13 0.00 1.01 0.00 0.00 58.87 61.10 2aa9 n SER 269 Cb 0.44 -1.41 0.37 0.00 -1.01 0.00 0.00 64.21 62.60 2aa9 n SER 269 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 2aa9 n MET 270 N -0.53 0.15 -2.64 1.43 0.00 -1.26 -4.88 117.12 109.39 2aa9 n MET 270 Ca 0.11 0.08 -0.42 0.00 0.00 0.00 0.00 57.70 57.47 2aa9 n MET 270 Cb 0.44 -1.63 -0.03 0.00 0.00 0.00 0.00 33.22 31.99 2aa9 n MET 270 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2aa9 s GLN 271 N -3.07 4.53 0.53 3.17 -0.21 -1.26 -4.52 119.66 118.83 2aa9 s GLN 271 Ca 0.10 1.51 0.24 0.00 0.02 0.00 0.00 55.36 57.24 2aa9 s GLN 271 Cb 0.15 -3.43 1.47 0.00 1.00 0.00 0.00 33.01 32.21 2aa9 s GLN 271 CO 0.63 -0.10 2.13 0.78 -2.12 0.00 0.00 175.29 176.62 2aa9 h GLY 272 N 6.76 0.00 1.66 3.09 0.00 -1.90 -2.84 103.07 109.84 2aa9 h GLY 272 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2aa9 h GLY 272 CO 0.76 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.52 2aa9 n ASP 273 N -3.98 0.00 0.26 0.19 10.43 -1.26 -1.29 116.55 120.90 2aa9 n ASP 273 Ca -0.03 0.19 0.18 0.00 2.57 0.00 0.00 54.79 57.70 2aa9 n ASP 273 Cb 0.16 -0.33 0.79 0.00 1.84 0.00 0.00 41.12 43.58 2aa9 n ASP 273 CO 0.00 0.00 0.00 0.16 -1.07 0.00 0.00 177.20 176.29 2aa9 h ILE 274 N 0.00 0.00 0.00 0.53 3.07 -1.79 -1.46 117.51 117.85 2aa9 h ILE 274 Ca 0.00 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 66.11 2aa9 h ILE 274 Cb 0.14 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 37.91 2aa9 h ILE 274 CO 0.00 0.00 0.00 0.54 -1.05 0.00 0.00 178.15 177.64 2aa9 n ARG 275 N -2.90 0.02 -0.08 0.16 5.12 -0.41 -1.93 116.66 116.64 2aa9 n ARG 275 Ca -0.00 0.25 0.04 0.00 -1.93 0.00 0.00 57.85 56.20 2aa9 n ARG 275 Cb 0.21 -1.50 0.37 0.00 -1.16 0.00 0.00 32.46 30.38 2aa9 n ARG 275 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2aa9 h PHE 276 N 0.00 0.66 -0.42 -1.55 3.57 -1.47 -1.54 116.94 116.20 2aa9 h PHE 276 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2aa9 h PHE 276 Cb 0.23 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2aa9 h PHE 276 CO 0.00 0.40 0.21 0.00 -2.23 0.00 0.00 178.31 176.70 2aa9 h ALA 277 N 1.67 1.59 -0.35 2.41 0.00 -1.60 -1.20 119.26 121.77 2aa9 h ALA 277 Ca 0.21 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2aa9 h ALA 277 Cb -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2aa9 h ALA 277 CO -0.05 0.34 0.04 -0.44 0.00 0.00 0.00 179.25 179.14 2aa9 h ASP 278 N 0.58 0.49 -0.34 0.00 3.32 -1.45 -1.12 116.42 117.90 2aa9 h ASP 278 Ca 0.15 -0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 2aa9 h ASP 278 Cb 0.05 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2aa9 h ASP 278 CO -0.02 0.54 -0.26 0.58 -1.72 0.00 0.00 179.24 178.36 2aa9 h VAL 279 N 0.52 1.29 -0.76 -1.35 2.07 -1.14 -0.93 116.25 115.94 2aa9 h VAL 279 Ca 0.12 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 2aa9 h VAL 279 Cb 0.28 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 2aa9 h VAL 279 CO 0.00 0.46 0.42 -0.07 0.02 0.00 0.00 177.57 178.41 2aa9 h LEU 280 N 0.55 0.94 -0.55 2.57 3.38 -0.91 -0.86 115.31 120.43 2aa9 h LEU 280 Ca 0.06 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2aa9 h LEU 280 Cb 0.82 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2aa9 h LEU 280 CO 0.07 0.75 0.19 -0.08 0.09 0.00 0.00 178.44 179.46 2aa9 h GLU 281 N 1.06 0.84 0.00 1.13 4.81 -0.99 -1.09 114.58 120.35 2aa9 h GLU 281 Ca 0.27 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2aa9 h GLU 281 Cb 0.02 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 2aa9 h GLU 281 CO -0.04 0.76 -0.12 0.87 -0.73 0.00 0.00 179.01 179.74 2aa9 h LYS 282 N 0.76 0.00 0.00 1.92 1.57 -0.43 -1.03 116.57 119.36 2aa9 h LYS 282 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2aa9 h LYS 282 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2aa9 h LYS 282 CO -0.01 0.12 0.00 -1.33 -0.57 0.00 0.00 179.45 177.66 2aa9 n MET 283 N -4.35 0.12 0.00 3.15 2.81 -0.40 -4.89 117.12 113.56 2aa9 n MET 283 Ca -0.03 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 2aa9 n MET 283 Cb 0.19 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 2aa9 n MET 283 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2aa9 n GLY 284 N 1.31 1.02 3.91 3.03 0.00 -0.39 -0.19 105.19 113.88 2aa9 n GLY 284 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 2aa9 n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aa9 s ALA 285 N -2.00 3.28 -0.16 4.61 0.00 -0.47 -1.49 121.76 125.53 2aa9 s ALA 285 Ca 0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 51.96 51.25 2aa9 s ALA 285 Cb 0.00 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 2aa9 s ALA 285 CO 0.00 -0.78 0.05 0.99 0.00 0.00 0.00 175.76 176.02 2aa9 s THR 286 N -2.99 4.67 -0.04 0.00 2.01 -0.60 -4.25 115.64 114.44 2aa9 s THR 286 Ca 0.54 -0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.52 2aa9 s THR 286 Cb -0.11 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 2aa9 s THR 286 CO 0.46 0.49 -0.24 -0.63 -0.69 0.00 0.00 174.62 174.01 2aa9 s ILE 287 N 0.14 2.20 -0.04 1.82 -1.09 -1.26 -0.22 121.20 122.75 2aa9 s ILE 287 Ca 0.04 -1.04 0.07 0.00 -2.23 0.00 0.00 60.65 57.49 2aa9 s ILE 287 Cb -0.12 -1.79 -0.02 0.00 -1.58 0.00 0.00 42.46 38.95 2aa9 s ILE 287 CO 0.01 0.58 -0.25 0.00 -1.23 0.00 0.00 174.94 174.04 2aa9 s TRP 289 N -0.40 2.64 0.35 0.00 0.52 -1.26 -0.75 118.94 120.04 2aa9 s TRP 289 Ca 0.04 -0.25 0.04 0.00 0.02 0.00 0.00 56.10 55.95 2aa9 s TRP 289 Cb -0.12 -1.62 -0.01 0.00 -1.15 0.00 0.00 33.47 30.57 2aa9 s TRP 289 CO 0.01 0.12 0.13 0.41 0.02 0.00 0.00 176.95 177.64 2aa9 n GLY 290 N 2.41 3.34 0.18 0.98 0.00 0.11 -4.98 105.19 107.23 2aa9 n GLY 290 Ca -0.17 -2.08 -0.11 0.00 0.00 0.00 0.00 46.02 43.66 2aa9 n GLY 290 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2aa9 h ASP 291 N 1.43 0.52 0.00 1.61 3.58 -1.96 -2.15 116.42 119.45 2aa9 h ASP 291 Ca -0.27 -0.35 -0.04 0.00 0.42 0.00 0.00 57.03 56.78 2aa9 h ASP 291 Cb 1.06 -0.15 -0.09 0.00 1.72 0.00 0.00 39.33 41.86 2aa9 h ASP 291 CO 0.43 1.10 -0.49 -0.67 -2.88 0.00 0.00 179.24 176.74 2aa9 n ASP 292 N -3.83 1.37 -3.68 2.28 2.03 -1.26 -4.00 116.55 109.46 2aa9 n ASP 292 Ca -0.05 -2.86 -0.10 0.00 0.52 0.00 0.00 54.79 52.30 2aa9 n ASP 292 Cb 0.73 -0.38 -0.05 0.00 -0.72 0.00 0.00 41.12 40.70 2aa9 n ASP 292 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 2aa9 s TYR 293 N -1.74 -0.14 -0.02 -0.67 -0.85 -0.10 -1.62 117.35 112.21 2aa9 s TYR 293 Ca 0.28 -0.18 0.01 0.00 -0.52 0.00 0.00 57.07 56.65 2aa9 s TYR 293 Cb 0.27 0.26 0.01 0.00 0.38 0.00 0.00 41.96 42.89 2aa9 s TYR 293 CO -0.05 -0.75 -0.01 0.42 -1.52 0.00 0.00 175.55 173.64 2aa9 s ILE 294 N -3.83 0.21 0.12 -3.49 1.01 -0.72 -0.71 121.20 113.78 2aa9 s ILE 294 Ca 0.05 -0.01 0.06 0.00 0.00 0.00 0.00 60.65 60.75 2aa9 s ILE 294 Cb 0.01 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.20 2aa9 s ILE 294 CO -0.09 0.11 -0.14 -0.94 0.00 0.00 0.00 174.94 173.88 2aa9 s SER 295 N 0.53 1.98 -0.03 3.58 1.04 0.07 -1.02 113.70 119.84 2aa9 s SER 295 Ca -0.05 -0.79 0.04 0.00 0.48 0.00 0.00 55.95 55.62 2aa9 s SER 295 Cb -0.08 -0.07 -0.00 0.00 0.10 0.00 0.00 66.02 65.97 2aa9 s SER 295 CO -0.01 -0.13 -0.14 0.00 0.98 0.00 0.00 173.24 173.94 2aa9 s THR 297 N 0.06 1.61 0.19 0.00 2.01 0.70 -1.31 115.64 118.89 2aa9 s THR 297 Ca -0.03 -0.82 -0.33 0.00 0.31 0.00 0.00 61.69 60.83 2aa9 s THR 297 Cb -0.10 -1.38 -0.15 0.00 0.01 0.00 0.00 72.50 70.89 2aa9 s THR 297 CO 0.01 0.46 1.36 -1.14 -0.69 0.00 0.00 174.62 174.62 2aa9 n ARG 298 N 3.09 1.70 0.00 4.92 3.00 -0.81 -1.55 116.66 127.00 2aa9 n ARG 298 Ca -0.18 0.61 0.00 0.00 -0.00 0.00 0.00 57.85 58.28 2aa9 n ARG 298 Cb 0.53 -2.24 0.00 0.00 0.00 0.00 0.00 32.46 30.75 2aa9 n ARG 298 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2aa9 n GLY 299 N 2.40 1.45 3.32 5.14 0.00 -1.26 -4.74 105.19 111.51 2aa9 n GLY 299 Ca 0.14 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2aa9 n GLY 299 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2aa9 s GLU 300 N 0.90 1.65 -0.20 1.61 -1.05 -0.55 -4.97 118.70 116.07 2aa9 s GLU 300 Ca 0.00 -1.95 -0.05 0.00 -0.15 0.00 0.00 54.97 52.83 2aa9 s GLU 300 Cb 0.00 0.03 0.07 0.00 -0.44 0.00 0.00 34.13 33.80 2aa9 s GLU 300 CO 0.00 -0.52 0.12 -1.17 0.95 0.00 0.00 175.26 174.64 2aa9 s LEU 301 N -3.38 0.32 0.02 1.83 2.96 -1.24 -3.26 118.68 115.93 2aa9 s LEU 301 Ca 0.36 -0.72 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 2aa9 s LEU 301 Cb 0.04 -0.18 -0.03 0.00 0.50 0.00 0.00 46.19 46.52 2aa9 s LEU 301 CO 0.20 -0.37 -0.11 0.20 -1.32 0.00 0.00 176.35 174.95 2aa9 s ASN 302 N 2.16 4.28 0.71 3.68 0.01 0.73 -0.92 114.94 125.59 2aa9 s ASN 302 Ca 0.04 -0.26 -0.16 0.00 -0.71 0.00 0.00 52.86 51.77 2aa9 s ASN 302 Cb -0.16 -0.88 0.02 0.00 0.41 0.00 0.00 41.25 40.64 2aa9 s ASN 302 CO -0.16 0.27 1.22 0.00 -1.51 0.00 0.00 177.10 176.92 2aa9 n ALA 303 N 1.55 0.60 -2.26 0.60 0.00 0.04 -4.58 120.51 116.46 2aa9 n ALA 303 Ca -0.16 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.01 2aa9 n ALA 303 Cb 0.52 -2.27 -0.10 0.00 0.00 0.00 0.00 19.45 17.60 2aa9 n ALA 303 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2aa9 s ILE 304 N -1.68 0.84 -0.24 0.00 -5.25 -1.26 -4.95 121.20 108.66 2aa9 s ILE 304 Ca 0.79 -2.00 -0.03 0.00 -0.99 0.00 0.00 60.65 58.41 2aa9 s ILE 304 Cb -0.35 -2.12 0.08 0.00 2.95 0.00 0.00 42.46 43.02 2aa9 s ILE 304 CO 0.45 -0.49 0.08 -0.62 -1.79 0.00 0.00 174.94 172.56 2aa9 s ASP 305 N -3.20 3.26 0.02 4.36 3.68 -1.26 -0.91 116.67 122.63 2aa9 s ASP 305 Ca 0.23 -1.10 -0.10 0.00 2.13 0.00 0.00 52.55 53.72 2aa9 s ASP 305 Cb 0.05 -0.57 0.01 0.00 -1.45 0.00 0.00 42.92 40.96 2aa9 s ASP 305 CO 0.04 -0.37 0.19 -0.04 0.13 0.00 0.00 175.17 175.13 2aa9 s MET 306 N 1.88 0.63 -0.08 4.34 -1.94 -0.77 -4.99 119.30 118.38 2aa9 s MET 306 Ca 0.04 -0.51 -0.30 0.00 -1.71 0.00 0.00 55.69 53.22 2aa9 s MET 306 Cb -0.17 0.26 -0.02 0.00 2.01 0.00 0.00 34.83 36.91 2aa9 s MET 306 CO -0.19 -0.17 1.09 0.34 -0.01 0.00 0.00 175.02 176.08 2aa9 s ASP 307 N -1.78 7.17 -0.13 3.03 -1.08 -1.26 -0.91 116.67 121.71 2aa9 s ASP 307 Ca -0.09 1.66 0.15 0.00 -0.52 0.00 0.00 52.55 53.75 2aa9 s ASP 307 Cb -0.03 -2.56 0.41 0.00 -1.46 0.00 0.00 42.92 39.28 2aa9 s ASP 307 CO -0.01 -0.49 1.31 0.23 0.52 0.00 0.00 175.17 176.73 2aa9 n MET 308 N 5.00 2.62 0.31 4.34 2.81 -0.11 -4.72 117.12 127.37 2aa9 n MET 308 Ca 0.09 -2.56 0.18 0.00 -1.81 0.00 0.00 57.70 53.61 2aa9 n MET 308 Cb 0.48 -1.62 1.00 0.00 -0.71 0.00 0.00 33.22 32.37 2aa9 n MET 308 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 2aa9 h ASN 309 N 1.40 0.00 1.41 7.83 -0.73 -1.70 -1.85 115.58 121.94 2aa9 h ASN 309 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2aa9 h ASN 309 Cb 1.17 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.76 2aa9 h ASN 309 CO 0.13 0.02 -0.02 0.00 -0.37 0.00 0.00 177.43 177.19 2aa9 n HIS 310 N -3.39 0.84 -3.00 0.67 1.44 -1.26 -3.52 115.22 106.99 2aa9 n HIS 310 Ca -0.02 0.24 -0.15 0.00 -2.01 0.00 0.00 57.72 55.78 2aa9 n HIS 310 Cb 0.13 -0.89 0.00 0.00 0.12 0.00 0.00 29.99 29.35 2aa9 n HIS 310 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 2aa9 n ILE 311 N -2.19 0.11 -0.24 0.61 -5.35 -0.71 -4.73 119.36 106.86 2aa9 n ILE 311 Ca 0.06 -3.78 0.09 0.00 -0.27 0.00 0.00 62.75 58.84 2aa9 n ILE 311 Cb 0.42 0.19 0.35 0.00 -1.74 0.00 0.00 39.64 38.87 2aa9 n ILE 311 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2aa9 h PRO 312 N 2.96 0.74 0.10 6.28 0.13 -1.68 0.62 132.00 141.15 2aa9 h PRO 312 Ca 0.02 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2aa9 h PRO 312 Cb 1.04 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2aa9 h PRO 312 CO 0.44 0.49 -0.05 -0.44 -0.23 0.00 0.00 178.00 178.21 2aa9 h ASP 313 N 0.76 -0.11 0.14 1.44 3.45 -1.94 -3.24 116.42 116.91 2aa9 h ASP 313 Ca 0.39 -0.39 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 2aa9 h ASP 313 Cb 0.48 0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 39.28 2aa9 h ASP 313 CO -0.16 0.52 -0.06 0.00 -1.57 0.00 0.00 179.24 177.97 2aa9 h ALA 314 N -0.47 1.54 -0.20 3.45 0.00 -1.88 -2.53 119.26 119.17 2aa9 h ALA 314 Ca -0.01 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2aa9 h ALA 314 Cb 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2aa9 h ALA 314 CO 0.02 0.08 0.14 0.00 0.00 0.00 0.00 179.25 179.49 2aa9 h ALA 315 N 1.94 2.11 -0.18 0.00 0.00 -0.89 -0.72 119.26 121.50 2aa9 h ALA 315 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2aa9 h ALA 315 Cb 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2aa9 h ALA 315 CO 0.01 -0.15 0.08 0.52 0.00 0.00 0.00 179.25 179.70 2aa9 h MET 316 N 0.06 0.25 -0.20 0.00 2.86 -1.53 -1.32 114.93 115.04 2aa9 h MET 316 Ca 0.09 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 2aa9 h MET 316 Cb 0.28 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2aa9 h MET 316 CO -0.01 0.20 -0.08 1.15 1.06 0.00 0.00 176.91 179.24 2aa9 h THR 317 N 0.25 1.17 -0.00 2.22 2.02 -1.30 -0.85 112.91 116.42 2aa9 h THR 317 Ca 0.06 -0.73 -0.08 0.00 0.77 0.00 0.00 66.41 66.43 2aa9 h THR 317 Cb 0.05 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2aa9 h THR 317 CO -0.01 0.24 -0.38 0.40 0.37 0.00 0.00 175.52 176.14 2aa9 h ILE 318 N 0.30 1.27 -0.79 3.11 1.08 -1.30 -1.27 117.51 119.91 2aa9 h ILE 318 Ca 0.06 -1.30 -0.03 0.00 -0.39 0.00 0.00 64.86 63.21 2aa9 h ILE 318 Cb 0.33 1.70 -0.04 0.00 -3.07 0.00 0.00 36.82 35.75 2aa9 h ILE 318 CO 0.02 0.37 0.37 0.00 -0.69 0.00 0.00 178.15 178.21 2aa9 h ALA 319 N 1.62 1.02 0.02 1.87 0.00 -1.05 0.72 119.26 123.47 2aa9 h ALA 319 Ca -0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.51 2aa9 h ALA 319 Cb 0.67 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2aa9 h ALA 319 CO 0.05 0.60 -1.17 1.79 0.00 0.00 0.00 179.25 180.52 2aa9 h THR 320 N 1.13 1.52 0.00 0.00 1.35 -1.49 -3.23 112.91 112.19 2aa9 h THR 320 Ca 0.27 -3.24 -0.02 0.00 -0.55 0.00 0.00 66.41 62.87 2aa9 h THR 320 Cb 0.14 2.79 -0.00 0.00 -1.73 0.00 0.00 68.15 69.35 2aa9 h THR 320 CO -0.03 0.88 -0.10 0.00 -0.25 0.00 0.00 175.52 176.02 2aa9 h ALA 321 N 0.92 1.74 -0.02 6.62 0.00 -0.97 -1.76 119.26 125.78 2aa9 h ALA 321 Ca -0.08 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2aa9 h ALA 321 Cb 1.85 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 2aa9 h ALA 321 CO 0.13 0.12 0.05 0.00 0.00 0.00 0.00 179.25 179.55 2aa9 h ALA 322 N 1.90 1.33 0.00 0.00 0.00 -0.87 -0.53 119.26 121.10 2aa9 h ALA 322 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2aa9 h ALA 322 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2aa9 h ALA 322 CO 0.01 -0.06 -0.02 -0.07 0.00 0.00 0.00 179.25 179.12 2aa9 h LEU 323 N 0.00 0.00 -1.63 0.00 3.38 -1.46 -2.49 115.31 113.11 2aa9 h LEU 323 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2aa9 h LEU 323 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2aa9 h LEU 323 CO -0.00 0.02 0.00 0.49 0.09 0.00 0.00 178.44 179.04 2aa9 n PHE 324 N -3.25 0.03 -3.21 1.13 3.01 -0.21 -4.71 117.46 110.24 2aa9 n PHE 324 Ca -0.02 -0.02 -0.24 0.00 1.01 0.00 0.00 57.45 58.18 2aa9 n PHE 324 Cb 0.13 -0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.60 2aa9 n PHE 324 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2aa9 s ALA 325 N -1.22 3.68 -0.29 4.37 0.00 -0.94 -4.84 121.76 122.52 2aa9 s ALA 325 Ca 0.18 -0.89 -0.22 0.00 0.00 0.00 0.00 51.96 51.03 2aa9 s ALA 325 Cb 0.12 -2.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.07 2aa9 s ALA 325 CO 0.19 -0.13 0.70 0.21 0.00 0.00 0.00 175.76 176.73 2aa9 s LYS 326 N -4.42 4.00 0.00 0.00 2.20 -0.10 -4.77 119.74 116.65 2aa9 s LYS 326 Ca 0.43 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.56 2aa9 s LYS 326 Cb -0.10 -3.70 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 2aa9 s LYS 326 CO 0.37 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 2aa9 n GLY 327 N 4.22 -3.08 3.68 5.54 0.00 -1.26 -0.78 105.19 113.50 2aa9 n GLY 327 Ca 0.01 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 2aa9 n GLY 327 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aa9 s THR 328 N -0.77 5.28 -0.10 2.61 2.01 -1.26 -4.44 115.64 118.97 2aa9 s THR 328 Ca 0.00 0.46 -0.10 0.00 0.31 0.00 0.00 61.69 62.37 2aa9 s THR 328 Cb 0.00 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 2aa9 s THR 328 CO 0.00 0.31 0.21 -0.89 -0.69 0.00 0.00 174.62 173.57 2aa9 s THR 329 N 1.06 5.37 -0.10 -0.82 2.01 -0.43 -4.42 115.64 118.31 2aa9 s THR 329 Ca 0.14 0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.53 2aa9 s THR 329 Cb -0.14 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 68.89 2aa9 s THR 329 CO 0.06 0.57 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.56 2aa9 s THR 330 N -0.79 1.21 -0.20 -0.82 2.01 -0.08 -0.05 115.64 116.92 2aa9 s THR 330 Ca 0.16 -0.46 -0.04 0.00 0.31 0.00 0.00 61.69 61.66 2aa9 s THR 330 Cb -0.13 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 2aa9 s THR 330 CO 0.06 0.39 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.59 2aa9 s LEU 331 N 1.16 3.08 0.36 4.42 1.43 -0.33 -1.84 118.68 126.96 2aa9 s LEU 331 Ca -0.04 -0.27 0.09 0.00 -1.03 0.00 0.00 54.13 52.87 2aa9 s LEU 331 Cb -0.14 -1.77 -0.06 0.00 0.03 0.00 0.00 46.19 44.25 2aa9 s LEU 331 CO -0.03 0.05 0.03 -0.13 0.23 0.00 0.00 176.35 176.50 2aa9 s ARG 332 N 1.08 2.08 -1.26 1.70 0.52 -0.09 -1.41 118.95 121.58 2aa9 s ARG 332 Ca 0.02 -1.79 -0.02 0.00 -0.52 0.00 0.00 55.73 53.42 2aa9 s ARG 332 Cb -0.15 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.42 2aa9 s ARG 332 CO 0.01 0.09 0.94 -1.71 0.02 0.00 0.00 175.30 174.64 2aa9 n ASN 333 N -0.99 -2.37 -2.22 0.23 5.15 -0.86 -0.94 115.26 113.25 2aa9 n ASN 333 Ca -0.04 -0.67 -0.17 0.00 -0.60 0.00 0.00 54.58 53.10 2aa9 n ASN 333 Cb 0.63 -4.78 0.03 0.00 -0.53 0.00 0.00 39.78 35.13 2aa9 n ASN 333 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2aa9 n ILE 334 N -4.28 2.15 -0.26 -1.44 -5.35 -0.37 -3.56 119.36 106.24 2aa9 n ILE 334 Ca -0.25 -3.82 0.08 0.00 -0.27 0.00 0.00 62.75 58.50 2aa9 n ILE 334 Cb 0.65 -0.42 0.32 0.00 -1.74 0.00 0.00 39.64 38.46 2aa9 n ILE 334 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 2aa9 h TYR 335 N 2.27 0.89 -0.01 4.28 3.20 -1.86 -1.40 116.97 124.35 2aa9 h TYR 335 Ca 0.22 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.11 2aa9 h TYR 335 Cb 1.46 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 39.44 2aa9 h TYR 335 CO 0.75 0.40 0.23 -2.95 -1.64 0.00 0.00 178.16 174.95 2aa9 h ASN 336 N 0.82 0.00 -0.34 -2.11 -1.07 -1.88 0.60 115.58 111.59 2aa9 h ASN 336 Ca 0.40 0.00 0.10 0.00 0.07 0.00 0.00 56.30 56.87 2aa9 h ASN 336 Cb 0.45 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.68 2aa9 h ASN 336 CO -0.17 0.00 0.29 -0.50 0.07 0.00 0.00 177.43 177.12 2aa9 h TRP 337 N 0.00 0.00 0.00 4.14 4.06 -1.64 -2.17 115.95 120.35 2aa9 h TRP 337 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2aa9 h TRP 337 Cb 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.63 2aa9 h TRP 337 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 2aa9 h ARG 338 N 0.00 0.00 -0.31 0.49 3.08 -1.07 -0.21 114.38 116.35 2aa9 h ARG 338 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2aa9 h ARG 338 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2aa9 h ARG 338 CO -0.00 0.00 0.00 1.33 -1.07 0.00 0.00 179.97 180.23 2aa9 n VAL 339 N -2.82 1.96 -0.57 2.04 0.24 -0.81 -3.99 118.33 114.38 2aa9 n VAL 339 Ca 0.02 -1.60 0.00 0.00 -2.04 0.00 0.00 64.34 60.72 2aa9 n VAL 339 Cb 0.31 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 2aa9 n VAL 339 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2aa9 n LYS 340 N -0.12 3.62 -0.29 7.34 5.02 -1.23 -4.70 118.16 127.81 2aa9 n LYS 340 Ca 0.19 0.00 0.27 0.00 -2.02 0.00 0.00 58.31 56.76 2aa9 n LYS 340 Cb 0.79 0.00 0.63 0.00 -0.02 0.00 0.00 35.03 36.42 2aa9 n LYS 340 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2aa9 h GLU 341 N 0.00 0.19 -3.65 1.97 3.07 -1.93 -3.42 114.58 110.81 2aa9 h GLU 341 Ca 0.00 -0.01 -0.15 0.00 -0.50 0.00 0.00 59.36 58.69 2aa9 h GLU 341 Cb 0.00 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 27.82 2aa9 h GLU 341 CO 0.00 0.13 -0.01 -0.08 -1.40 0.00 0.00 179.01 177.65 2aa9 s THR 342 N -5.22 0.00 -0.66 1.13 -1.32 -1.26 -4.84 115.64 103.47 2aa9 s THR 342 Ca -0.07 -1.35 -0.27 0.00 -1.21 0.00 0.00 61.69 58.79 2aa9 s THR 342 Cb 0.24 -2.67 0.02 0.00 -1.51 0.00 0.00 72.50 68.58 2aa9 s THR 342 CO 0.79 0.00 1.33 -0.62 -2.21 0.00 0.00 174.62 173.92 2aa9 s ASP 343 N -3.15 6.14 0.45 8.08 3.68 -1.26 -4.45 116.67 126.17 2aa9 s ASP 343 Ca 0.24 -0.12 0.25 0.00 2.13 0.00 0.00 52.55 55.04 2aa9 s ASP 343 Cb -0.02 -2.55 0.90 0.00 -1.45 0.00 0.00 42.92 39.79 2aa9 s ASP 343 CO 0.16 -1.78 1.81 0.03 0.13 0.00 0.00 175.17 175.52 2aa9 h ARG 344 N 10.53 0.00 -0.13 4.34 3.08 -1.28 -1.00 114.38 129.91 2aa9 h ARG 344 Ca -0.27 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.72 2aa9 h ARG 344 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 2aa9 h ARG 344 CO 1.23 0.19 -0.17 -0.07 -1.07 0.00 0.00 179.97 180.09 2aa9 h LEU 345 N 0.00 0.37 -0.10 3.04 3.38 -1.89 -0.01 115.31 120.11 2aa9 h LEU 345 Ca -0.00 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 2aa9 h LEU 345 Cb 0.77 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2aa9 h LEU 345 CO 0.03 0.81 0.03 0.15 0.09 0.00 0.00 178.44 179.54 2aa9 h PHE 346 N -0.05 0.15 -0.14 1.13 3.57 -1.91 -2.00 116.94 117.70 2aa9 h PHE 346 Ca 0.02 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2aa9 h PHE 346 Cb 0.72 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 2aa9 h PHE 346 CO 0.09 0.30 0.06 0.00 -2.23 0.00 0.00 178.31 176.53 2aa9 h ALA 347 N 0.84 0.17 -0.62 2.41 0.00 -1.21 -1.14 119.26 119.72 2aa9 h ALA 347 Ca 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2aa9 h ALA 347 Cb 0.22 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2aa9 h ALA 347 CO -0.00 -0.25 0.34 1.98 0.00 0.00 0.00 179.25 181.32 2aa9 h MET 348 N 0.07 0.86 -0.43 0.00 1.85 -1.02 -1.05 114.93 115.21 2aa9 h MET 348 Ca 0.05 -0.10 -0.03 0.00 -0.61 0.00 0.00 59.70 59.01 2aa9 h MET 348 Cb 0.15 -0.17 -0.02 0.00 0.43 0.00 0.00 31.60 31.99 2aa9 h MET 348 CO -0.00 0.65 0.15 0.00 -0.40 0.00 0.00 176.91 177.31 2aa9 h ALA 349 N 1.16 0.57 -0.07 0.39 0.00 -1.26 -0.95 119.26 119.10 2aa9 h ALA 349 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2aa9 h ALA 349 Cb 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2aa9 h ALA 349 CO -0.04 0.19 0.04 1.15 0.00 0.00 0.00 179.25 180.60 2aa9 h THR 350 N 0.56 1.01 -0.08 0.00 2.02 -0.93 -2.54 112.91 112.94 2aa9 h THR 350 Ca 0.14 -0.03 -0.16 0.00 0.77 0.00 0.00 66.41 67.13 2aa9 h THR 350 Cb 0.23 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2aa9 h THR 350 CO -0.01 0.02 -0.65 -0.33 0.37 0.00 0.00 175.52 174.92 2aa9 h GLU 351 N 0.09 0.33 -0.68 6.66 4.39 -1.12 -3.01 114.58 121.24 2aa9 h GLU 351 Ca 0.03 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 2aa9 h GLU 351 Cb -0.01 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 2aa9 h GLU 351 CO -0.01 0.87 0.37 -0.07 -1.16 0.00 0.00 179.01 179.01 2aa9 h LEU 352 N 0.24 0.84 -1.42 1.33 3.38 -1.07 -1.51 115.31 117.09 2aa9 h LEU 352 Ca -0.01 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2aa9 h LEU 352 Cb 1.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2aa9 h LEU 352 CO 0.11 0.67 -0.29 0.03 0.09 0.00 0.00 178.44 179.05 2aa9 h ARG 353 N 0.95 0.00 0.00 1.13 3.08 -1.32 -2.61 114.38 115.60 2aa9 h ARG 353 Ca 0.24 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.26 2aa9 h ARG 353 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2aa9 h ARG 353 CO -0.04 0.29 -0.17 0.87 -1.07 0.00 0.00 179.97 179.86 2aa9 h LYS 354 N 0.00 0.00 -0.50 0.04 1.57 -1.20 -1.72 116.57 114.76 2aa9 h LYS 354 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2aa9 h LYS 354 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2aa9 h LYS 354 CO 0.04 0.17 0.00 1.33 -0.57 0.00 0.00 179.45 180.42 2aa9 n VAL 355 N -3.87 0.66 0.00 0.50 0.24 -1.01 -4.66 118.33 110.19 2aa9 n VAL 355 Ca -0.02 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.54 2aa9 n VAL 355 Cb 0.26 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 2aa9 n VAL 355 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aa9 n GLY 356 N 1.45 1.18 3.79 7.63 0.00 -0.65 -2.06 105.19 116.54 2aa9 n GLY 356 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2aa9 n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aa9 s ALA 357 N -2.03 2.68 -0.23 4.61 0.00 -1.06 -4.26 121.76 121.47 2aa9 s ALA 357 Ca 0.00 0.54 -0.12 0.00 0.00 0.00 0.00 51.96 52.38 2aa9 s ALA 357 Cb 0.00 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 2aa9 s ALA 357 CO 0.00 -0.85 0.23 -2.00 0.00 0.00 0.00 175.76 173.14 2aa9 s GLU 358 N -3.81 4.10 -0.04 0.00 2.12 -0.59 -4.25 118.70 116.24 2aa9 s GLU 358 Ca 0.67 -0.14 0.02 0.00 0.36 0.00 0.00 54.97 55.88 2aa9 s GLU 358 Cb -0.19 -3.54 0.01 0.00 0.26 0.00 0.00 34.13 30.67 2aa9 s GLU 358 CO 0.34 0.03 -0.08 0.08 -0.54 0.00 0.00 175.26 175.09 2aa9 s VAL 359 N 1.13 0.72 -0.29 3.70 1.01 -1.26 -0.89 120.40 124.53 2aa9 s VAL 359 Ca 0.11 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 2aa9 s VAL 359 Cb -0.14 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 2aa9 s VAL 359 CO 0.05 0.24 0.12 -0.70 0.00 0.00 0.00 175.10 174.82 2aa9 s GLU 360 N 0.47 3.39 -0.63 2.72 2.12 -0.17 -4.98 118.70 121.62 2aa9 s GLU 360 Ca -0.07 -0.67 -0.22 0.00 0.36 0.00 0.00 54.97 54.36 2aa9 s GLU 360 Cb -0.11 -3.47 0.07 0.00 0.26 0.00 0.00 34.13 30.88 2aa9 s GLU 360 CO 0.01 -0.35 0.93 -2.00 -0.54 0.00 0.00 175.26 173.31 2aa9 s GLU 361 N 1.60 3.14 0.77 4.30 2.12 -1.26 -1.45 118.70 127.92 2aa9 s GLU 361 Ca 0.05 -0.78 -0.11 0.00 0.36 0.00 0.00 54.97 54.48 2aa9 s GLU 361 Cb -0.17 -4.20 0.06 0.00 0.26 0.00 0.00 34.13 30.09 2aa9 s GLU 361 CO 0.05 -1.73 1.14 0.20 -0.54 0.00 0.00 175.26 174.38 2aa9 s GLY 362 N 3.52 1.61 0.27 -1.50 0.00 0.73 -4.96 107.32 106.99 2aa9 s GLY 362 Ca 0.22 -0.62 -0.04 0.00 0.00 0.00 0.00 44.72 44.28 2aa9 s GLY 362 CO 0.11 -0.16 1.94 0.84 0.00 0.00 0.00 173.10 175.83 2aa9 h HIS 363 N -0.91 1.18 0.00 1.90 2.76 -2.02 -3.31 115.15 114.75 2aa9 h HIS 363 Ca -0.46 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 57.63 2aa9 h HIS 363 Cb 1.31 -0.40 -0.24 0.00 1.55 0.00 0.00 27.41 29.63 2aa9 h HIS 363 CO 0.35 0.74 -0.82 -0.40 -1.30 0.00 0.00 177.93 176.51 2aa9 n ASP 364 N -4.39 0.85 -3.80 3.26 3.85 -1.26 -4.76 116.55 110.30 2aa9 n ASP 364 Ca 0.11 -2.21 -0.09 0.00 -0.71 0.00 0.00 54.79 51.90 2aa9 n ASP 364 Cb 0.02 -0.30 -0.03 0.00 -1.35 0.00 0.00 41.12 39.45 2aa9 n ASP 364 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 2aa9 s TYR 365 N -0.39 -0.08 -0.01 2.11 -0.85 -1.25 -1.24 117.35 115.65 2aa9 s TYR 365 Ca 0.26 -0.29 0.00 0.00 -0.52 0.00 0.00 57.07 56.51 2aa9 s TYR 365 Cb 0.28 0.46 0.02 0.00 0.38 0.00 0.00 41.96 43.10 2aa9 s TYR 365 CO -0.11 -1.02 0.01 -1.50 -1.52 0.00 0.00 175.55 171.41 2aa9 s ILE 366 N -3.91 -0.00 -0.14 -3.49 2.07 -0.50 -0.20 121.20 115.03 2aa9 s ILE 366 Ca 0.12 0.11 0.01 0.00 -1.41 0.00 0.00 60.65 59.47 2aa9 s ILE 366 Cb -0.02 -0.08 -0.00 0.00 0.13 0.00 0.00 42.46 42.49 2aa9 s ILE 366 CO 0.02 0.06 -0.16 -0.60 -1.91 0.00 0.00 174.94 172.35 2aa9 s ARG 367 N 0.60 3.24 -0.14 3.50 3.52 -0.53 -1.18 118.95 127.97 2aa9 s ARG 367 Ca -0.05 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.81 2aa9 s ARG 367 Cb -0.08 -2.59 0.02 0.00 -1.56 0.00 0.00 34.95 30.74 2aa9 s ARG 367 CO -0.02 0.08 -0.13 0.42 -0.81 0.00 0.00 175.30 174.84 2aa9 s ILE 368 N 0.65 1.48 -0.28 4.11 1.01 0.92 -1.00 121.20 128.09 2aa9 s ILE 368 Ca -0.08 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 2aa9 s ILE 368 Cb -0.16 -1.40 0.03 0.00 0.01 0.00 0.00 42.46 40.94 2aa9 s ILE 368 CO 0.02 0.44 0.02 -0.89 0.00 0.00 0.00 174.94 174.53 2aa9 s THR 369 N 1.46 3.35 0.65 2.92 2.01 -0.07 -1.32 115.64 124.65 2aa9 s THR 369 Ca 0.04 -1.00 -0.16 0.00 0.31 0.00 0.00 61.69 60.87 2aa9 s THR 369 Cb -0.13 -2.78 -0.00 0.00 0.01 0.00 0.00 72.50 69.60 2aa9 s THR 369 CO -0.09 0.06 1.16 -2.16 -0.69 0.00 0.00 174.62 172.89 2aa9 s PRO 370 N 1.38 2.71 0.63 4.92 0.04 -1.26 -1.54 135.00 141.88 2aa9 s PRO 370 Ca -0.00 1.60 -0.09 0.00 0.04 0.00 0.00 61.00 62.54 2aa9 s PRO 370 Cb -0.18 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2aa9 s PRO 370 CO -0.01 -1.36 0.99 -1.25 0.04 0.00 0.00 177.00 175.42 2aa9 s PRO 371 N -3.81 3.02 0.30 0.56 0.04 -1.26 -4.83 135.00 129.01 2aa9 s PRO 371 Ca 0.72 0.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.04 2aa9 s PRO 371 Cb -0.25 -2.15 0.45 0.00 0.04 0.00 0.00 34.50 32.59 2aa9 s PRO 371 CO 0.39 -0.79 1.93 0.93 0.04 0.00 0.00 177.00 179.50 2aa9 h GLU 372 N -0.37 0.98 -3.26 4.56 4.39 -1.96 -3.43 114.58 115.50 2aa9 h GLU 372 Ca -0.45 -0.10 -0.17 0.00 0.34 0.00 0.00 59.36 58.99 2aa9 h GLU 372 Cb 1.24 -0.20 -0.25 0.00 -0.10 0.00 0.00 28.75 29.45 2aa9 h GLU 372 CO 0.62 0.71 -0.46 -1.59 -1.16 0.00 0.00 179.01 177.13 2aa9 s LYS 373 N -5.69 0.32 0.55 2.33 -2.85 -1.26 -5.15 119.74 107.99 2aa9 s LYS 373 Ca -0.11 0.14 -0.16 0.00 -1.00 0.00 0.00 55.97 54.84 2aa9 s LYS 373 Cb 0.17 0.15 -0.06 0.00 -2.06 0.00 0.00 37.83 36.03 2aa9 s LYS 373 CO 0.79 -0.05 1.02 -0.51 0.10 0.00 0.00 175.35 176.70 2aa9 s LEU 374 N -0.25 3.58 0.31 2.77 1.43 -1.26 -4.91 118.68 120.35 2aa9 s LEU 374 Ca -0.04 1.71 0.11 0.00 -1.03 0.00 0.00 54.13 54.88 2aa9 s LEU 374 Cb -0.03 -4.52 -0.06 0.00 0.03 0.00 0.00 46.19 41.61 2aa9 s LEU 374 CO 0.01 -0.88 -0.14 0.54 0.23 0.00 0.00 176.35 176.10 2aa9 s ASN 375 N -2.87 3.69 0.45 2.29 4.22 -0.87 -4.84 114.94 117.02 2aa9 s ASN 375 Ca 0.62 -1.09 -0.24 0.00 -2.14 0.00 0.00 52.86 50.00 2aa9 s ASN 375 Cb -0.13 -0.34 -0.07 0.00 1.28 0.00 0.00 41.25 41.98 2aa9 s ASN 375 CO 0.33 -0.07 1.26 0.12 -2.04 0.00 0.00 177.10 176.70 2aa9 s PHE 376 N -2.55 2.75 0.05 1.54 5.36 -1.26 -4.61 117.98 119.26 2aa9 s PHE 376 Ca 0.31 1.45 -0.16 0.00 -0.96 0.00 0.00 56.93 57.57 2aa9 s PHE 376 Cb -0.02 -3.58 0.03 0.00 -0.34 0.00 0.00 43.02 39.11 2aa9 s PHE 376 CO 0.16 -2.01 0.37 0.00 -1.46 0.00 0.00 175.22 172.28 2aa9 s ALA 377 N -1.37 -0.88 -0.38 11.12 0.00 -1.26 -4.85 121.76 124.15 2aa9 s ALA 377 Ca 0.62 0.15 -0.13 0.00 0.00 0.00 0.00 51.96 52.60 2aa9 s ALA 377 Cb -0.35 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.16 2aa9 s ALA 377 CO 0.43 -0.46 0.25 -2.00 0.00 0.00 0.00 175.76 173.99 2aa9 s GLU 378 N -2.67 3.10 -0.14 0.00 2.12 -1.26 -2.06 118.70 117.79 2aa9 s GLU 378 Ca -0.04 -0.91 -0.22 0.00 0.36 0.00 0.00 54.97 54.15 2aa9 s GLU 378 Cb -0.00 -3.85 -0.03 0.00 0.26 0.00 0.00 34.13 30.50 2aa9 s GLU 378 CO -0.04 -0.64 0.68 0.42 -0.54 0.00 0.00 175.26 175.14 2aa9 s ILE 379 N 1.66 5.02 0.22 -3.70 -1.09 0.84 -4.95 121.20 119.20 2aa9 s ILE 379 Ca 0.05 1.34 -0.29 0.00 -2.23 0.00 0.00 60.65 59.51 2aa9 s ILE 379 Cb -0.18 -4.00 -0.09 0.00 -1.58 0.00 0.00 42.46 36.61 2aa9 s ILE 379 CO 0.09 0.17 0.91 0.00 -1.23 0.00 0.00 174.94 174.88 2aa9 s ALA 380 N 1.43 3.36 -0.99 9.38 0.00 -1.26 -1.29 121.76 132.39 2aa9 s ALA 380 Ca 0.33 0.57 0.09 0.00 0.00 0.00 0.00 51.96 52.95 2aa9 s ALA 380 Cb -0.17 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 19.84 2aa9 s ALA 380 CO 0.13 0.21 0.71 0.25 0.00 0.00 0.00 175.76 177.07 2aa9 n THR 381 N 1.57 0.00 -2.76 0.00 -2.24 -1.26 -4.92 114.28 104.67 2aa9 n THR 381 Ca -0.02 -0.48 -0.18 0.00 -2.27 0.00 0.00 64.05 61.10 2aa9 n THR 381 Cb 0.47 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 2aa9 n THR 381 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2aa9 n TYR 382 N 0.26 -1.55 -3.06 4.78 4.01 -1.26 -0.52 117.16 119.83 2aa9 n TYR 382 Ca 0.05 0.22 -0.21 0.00 -0.16 0.00 0.00 57.90 57.80 2aa9 n TYR 382 Cb 0.20 -3.38 0.00 0.00 -0.31 0.00 0.00 39.34 35.86 2aa9 n TYR 382 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2aa9 n ASN 383 N -2.10 -4.36 -3.94 7.72 3.02 -1.26 -4.67 115.26 109.66 2aa9 n ASN 383 Ca -0.13 -0.23 -0.31 0.00 -0.03 0.00 0.00 54.58 53.89 2aa9 n ASN 383 Cb 0.61 -3.60 -0.15 0.00 -0.61 0.00 0.00 39.78 36.03 2aa9 n ASN 383 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2aa9 s ASP 384 N -2.55 4.32 0.34 6.41 -1.08 0.32 -4.92 116.67 119.52 2aa9 s ASP 384 Ca 0.28 -1.69 0.12 0.00 -0.52 0.00 0.00 52.55 50.73 2aa9 s ASP 384 Cb -0.14 -1.33 1.06 0.00 -1.46 0.00 0.00 42.92 41.05 2aa9 s ASP 384 CO 0.34 -0.33 1.58 1.12 0.52 0.00 0.00 175.17 178.41 2aa9 h HIS 385 N 7.83 0.43 0.00 -5.34 2.07 -1.83 0.71 115.15 119.02 2aa9 h HIS 385 Ca -0.12 0.05 -0.07 0.00 -2.85 0.00 0.00 60.37 57.39 2aa9 h HIS 385 Cb 1.04 -0.02 -0.01 0.00 2.57 0.00 0.00 27.41 30.98 2aa9 h HIS 385 CO 0.47 -0.44 -0.31 0.00 -3.07 0.00 0.00 177.93 174.57 2aa9 h ARG 386 N 0.02 0.00 -0.49 5.12 3.08 -1.92 -1.57 114.38 118.62 2aa9 h ARG 386 Ca 0.73 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.68 2aa9 h ARG 386 Cb 1.75 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.78 2aa9 h ARG 386 CO -0.83 0.31 -0.06 0.52 -1.07 0.00 0.00 179.97 178.85 2aa9 h MET 387 N 0.00 0.90 -0.22 0.04 2.86 -1.12 0.14 114.93 117.53 2aa9 h MET 387 Ca -0.00 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.30 2aa9 h MET 387 Cb 0.83 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 2aa9 h MET 387 CO 0.04 0.96 0.06 0.00 1.06 0.00 0.00 176.91 179.03 2aa9 h ALA 388 N 0.91 0.29 -0.42 6.32 0.00 -1.36 -1.85 119.26 123.15 2aa9 h ALA 388 Ca 0.13 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2aa9 h ALA 388 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2aa9 h ALA 388 CO 0.04 -0.07 -0.33 0.52 0.00 0.00 0.00 179.25 179.42 2aa9 h MET 389 N 0.18 0.95 -0.50 0.00 2.07 -1.20 -2.31 114.93 114.12 2aa9 h MET 389 Ca 0.07 -0.47 -0.02 0.00 -2.07 0.00 0.00 59.70 57.21 2aa9 h MET 389 Cb 0.26 -0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.97 2aa9 h MET 389 CO 0.00 1.13 0.23 0.00 1.07 0.00 0.00 176.91 179.34 2aa9 n PHE 391 N -4.59 0.30 0.27 0.00 3.72 -0.70 -2.26 117.46 114.20 2aa9 n PHE 391 Ca 0.02 0.10 0.12 0.00 -0.05 0.00 0.00 57.45 57.64 2aa9 n PHE 391 Cb 0.13 -0.66 0.76 0.00 -0.94 0.00 0.00 39.48 38.77 2aa9 n PHE 391 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2aa9 h SER 392 N 0.00 0.00 0.55 4.37 4.64 -1.12 -1.59 113.55 120.40 2aa9 h SER 392 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2aa9 h SER 392 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2aa9 h SER 392 CO 0.00 0.05 0.00 -0.07 -0.87 0.00 0.00 176.83 175.94 2aa9 h LEU 393 N 0.00 0.00 -2.00 5.97 3.38 -1.57 -2.46 115.31 118.63 2aa9 h LEU 393 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2aa9 h LEU 393 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2aa9 h LEU 393 CO 0.01 0.00 -0.03 0.58 0.09 0.00 0.00 178.44 179.08 2aa9 h VAL 394 N 0.00 0.96 0.00 1.22 2.07 -1.49 -1.72 116.25 117.29 2aa9 h VAL 394 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2aa9 h VAL 394 Cb 0.27 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2aa9 h VAL 394 CO 0.00 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.62 2aa9 n ALA 395 N -2.50 2.06 -1.08 1.67 0.00 -0.92 -3.06 120.51 116.67 2aa9 n ALA 395 Ca -0.03 -0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 2aa9 n ALA 395 Cb 0.12 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2aa9 n ALA 395 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2aa9 n LEU 396 N -1.12 6.46 0.00 0.00 4.77 -0.65 -0.41 117.00 126.06 2aa9 n LEU 396 Ca 0.11 -3.55 0.00 0.00 -0.03 0.00 0.00 56.01 52.54 2aa9 n LEU 396 Cb 0.09 -1.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 2aa9 n LEU 396 CO 0.11 1.40 0.00 -1.54 -1.33 0.00 0.00 177.39 176.03 2aa9 n SER 397 N 0.54 0.00 -0.28 -1.43 3.41 -1.17 -4.91 113.62 109.79 2aa9 n SER 397 Ca 0.37 -0.48 0.14 0.00 -0.26 0.00 0.00 58.87 58.63 2aa9 n SER 397 Cb 0.58 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 65.06 2aa9 n SER 397 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2aa9 n ASP 398 N -1.30 0.97 -4.46 4.04 8.00 -1.26 -4.33 116.55 118.20 2aa9 n ASP 398 Ca 0.00 -1.04 -0.31 0.00 0.71 0.00 0.00 54.79 54.14 2aa9 n ASP 398 Cb 0.00 0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 41.00 2aa9 n ASP 398 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2aa9 s THR 399 N -2.27 2.87 0.92 -3.53 -1.32 -1.26 -4.88 115.64 106.17 2aa9 s THR 399 Ca 0.32 -1.07 -0.13 0.00 -1.21 0.00 0.00 61.69 59.61 2aa9 s THR 399 Cb 0.20 -2.19 0.15 0.00 -1.51 0.00 0.00 72.50 69.15 2aa9 s THR 399 CO 0.43 0.40 1.16 -2.16 -2.21 0.00 0.00 174.62 172.24 2aa9 s PRO 400 N -1.27 1.04 -0.01 7.08 0.04 -1.26 -4.38 135.00 136.24 2aa9 s PRO 400 Ca 0.14 0.16 -0.04 0.00 0.04 0.00 0.00 61.00 61.30 2aa9 s PRO 400 Cb -0.11 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2aa9 s PRO 400 CO 0.04 -2.24 0.09 0.54 0.04 0.00 0.00 177.00 175.47 2aa9 s VAL 401 N -3.37 0.06 -0.16 -0.36 0.11 -0.94 -4.51 120.40 111.22 2aa9 s VAL 401 Ca 0.65 -0.46 -0.02 0.00 -2.93 0.00 0.00 61.98 59.22 2aa9 s VAL 401 Cb -0.13 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2aa9 s VAL 401 CO 0.53 -0.25 -0.08 -0.89 -3.33 0.00 0.00 175.10 171.08 2aa9 s THR 402 N -0.82 3.43 -0.24 5.04 2.01 -0.88 -0.65 115.64 123.54 2aa9 s THR 402 Ca -0.09 -0.52 -0.06 0.00 0.31 0.00 0.00 61.69 61.33 2aa9 s THR 402 Cb -0.05 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.95 2aa9 s THR 402 CO 0.00 0.50 0.04 -0.63 -0.69 0.00 0.00 174.62 173.84 2aa9 s ILE 403 N 0.54 4.05 0.40 1.82 -1.09 0.80 -0.11 121.20 127.60 2aa9 s ILE 403 Ca -0.06 -0.26 -0.23 0.00 -2.23 0.00 0.00 60.65 57.87 2aa9 s ILE 403 Cb -0.15 -2.88 -0.10 0.00 -1.58 0.00 0.00 42.46 37.75 2aa9 s ILE 403 CO 0.03 0.36 0.99 -0.76 -1.23 0.00 0.00 174.94 174.34 2aa9 s LEU 404 N 1.56 4.11 -1.25 2.97 1.02 -0.41 -1.56 118.68 125.11 2aa9 s LEU 404 Ca 0.06 1.87 -0.16 0.00 0.02 0.00 0.00 54.13 55.92 2aa9 s LEU 404 Cb -0.15 -4.28 0.00 0.00 0.02 0.00 0.00 46.19 41.79 2aa9 s LEU 404 CO 0.02 -0.37 0.62 -0.67 0.02 0.00 0.00 176.35 175.97 2aa9 n ASP 405 N -0.15 -3.26 0.21 2.29 4.64 0.40 -4.44 116.55 116.24 2aa9 n ASP 405 Ca 0.05 -1.08 0.17 0.00 -1.38 0.00 0.00 54.79 52.55 2aa9 n ASP 405 Cb 0.51 -2.89 0.83 0.00 -1.04 0.00 0.00 41.12 38.53 2aa9 n ASP 405 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2aa9 h PRO 406 N -2.01 0.00 0.00 -0.67 0.13 -1.79 -1.61 132.00 126.06 2aa9 h PRO 406 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2aa9 h PRO 406 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2aa9 h PRO 406 CO 0.54 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.94 2aa9 n LYS 407 N -3.87 0.09 0.20 0.86 5.02 -1.26 -2.23 118.16 116.97 2aa9 n LYS 407 Ca 0.01 0.23 0.14 0.00 -2.02 0.00 0.00 58.31 56.67 2aa9 n LYS 407 Cb 0.29 -1.50 0.67 0.00 -0.02 0.00 0.00 35.03 34.47 2aa9 n LYS 407 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2aa9 h THR 409 N 0.00 0.00 0.00 0.00 1.35 -1.69 -2.80 112.91 109.77 2aa9 h THR 409 Ca 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2aa9 h THR 409 Cb 0.21 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 2aa9 h THR 409 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 2aa9 n ALA 410 N -2.03 1.10 -0.36 6.62 0.00 -0.46 -0.06 120.51 125.33 2aa9 n ALA 410 Ca -0.01 0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.49 2aa9 n ALA 410 Cb 0.15 -1.10 0.17 0.00 0.00 0.00 0.00 19.45 18.68 2aa9 n ALA 410 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2aa9 h LYS 411 N 0.00 1.09 0.00 0.00 3.64 -1.74 0.77 116.57 120.33 2aa9 h LYS 411 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2aa9 h LYS 411 Cb 0.04 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 2aa9 h LYS 411 CO 0.00 0.72 0.00 0.25 -2.27 0.00 0.00 179.45 178.15 2aa9 n THR 412 N -4.53 0.00 -2.82 1.00 -2.24 -1.01 -2.39 114.28 102.29 2aa9 n THR 412 Ca 0.15 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.67 2aa9 n THR 412 Cb 0.20 1.03 0.01 0.00 -2.10 0.00 0.00 70.33 69.47 2aa9 n THR 412 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2aa9 n PHE 413 N -0.35 -3.31 -0.36 4.78 -0.00 0.92 -4.87 117.46 114.26 2aa9 n PHE 413 Ca 0.00 -1.74 0.09 0.00 -0.00 0.00 0.00 57.45 55.80 2aa9 n PHE 413 Cb 0.01 1.35 0.26 0.00 -0.00 0.00 0.00 39.48 41.10 2aa9 n PHE 413 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 2aa9 h PRO 414 N 4.62 0.89 -0.71 -7.13 0.11 -1.76 -1.90 132.00 126.12 2aa9 h PRO 414 Ca -0.01 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2aa9 h PRO 414 Cb 1.06 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2aa9 h PRO 414 CO 0.18 0.59 0.00 -0.25 -0.21 0.00 0.00 178.00 178.31 2aa9 n ASP 415 N -4.67 3.65 -0.17 -2.05 10.43 -1.26 -4.64 116.55 117.85 2aa9 n ASP 415 Ca 0.20 -2.49 -0.04 0.00 2.57 0.00 0.00 54.79 55.03 2aa9 n ASP 415 Cb 0.42 -0.57 0.02 0.00 1.84 0.00 0.00 41.12 42.83 2aa9 n ASP 415 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 2aa9 h TYR 416 N 2.41 -0.64 -0.16 1.24 3.20 -1.70 -1.85 116.97 119.48 2aa9 h TYR 416 Ca 0.00 0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 2aa9 h TYR 416 Cb 1.29 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.90 2aa9 h TYR 416 CO 0.61 -0.33 -0.27 0.74 -1.64 0.00 0.00 178.16 177.28 2aa9 h PHE 417 N -0.12 0.32 -0.60 -3.82 0.04 -1.86 -0.51 116.94 110.39 2aa9 h PHE 417 Ca 0.24 -0.06 -0.07 0.00 2.80 0.00 0.00 57.97 60.87 2aa9 h PHE 417 Cb 0.50 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 2aa9 h PHE 417 CO -0.53 0.54 0.09 1.49 -0.60 0.00 0.00 178.31 179.30 2aa9 h GLU 418 N 0.26 1.01 -0.44 1.51 4.57 -1.77 -1.02 114.58 118.69 2aa9 h GLU 418 Ca 0.04 -0.28 -0.12 0.00 -1.18 0.00 0.00 59.36 57.82 2aa9 h GLU 418 Cb 0.62 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 2aa9 h GLU 418 CO 0.04 0.95 -0.21 1.96 -1.18 0.00 0.00 179.01 180.58 2aa9 h GLN 419 N 0.91 0.92 -0.76 1.92 1.08 -0.90 -1.11 115.11 117.18 2aa9 h GLN 419 Ca 0.18 -0.40 -0.03 0.00 -1.45 0.00 0.00 58.65 56.95 2aa9 h GLN 419 Cb 0.44 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.81 2aa9 h GLN 419 CO 0.01 1.06 0.34 1.25 -0.95 0.00 0.00 178.83 180.54 2aa9 h LEU 420 N 0.76 1.01 -1.42 1.46 5.85 -0.97 -2.25 115.31 119.75 2aa9 h LEU 420 Ca 0.10 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2aa9 h LEU 420 Cb 0.78 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2aa9 h LEU 420 CO 0.06 0.88 -0.15 0.00 -0.34 0.00 0.00 178.44 178.89 2aa9 h ALA 421 N 1.17 1.53 -0.69 1.25 0.00 -0.91 -2.20 119.26 119.41 2aa9 h ALA 421 Ca 0.26 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2aa9 h ALA 421 Cb 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2aa9 h ALA 421 CO -0.03 0.34 0.46 -0.09 0.00 0.00 0.00 179.25 179.93 2aa9 h ARG 422 N 0.18 0.87 -0.02 0.00 2.43 -0.58 -1.90 114.38 115.37 2aa9 h ARG 422 Ca 0.04 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2aa9 h ARG 422 Cb 0.39 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2aa9 h ARG 422 CO 0.02 0.58 -0.27 0.44 -1.51 0.00 0.00 179.97 179.23 2aa9 n ILE 423 N -4.44 0.00 -2.62 1.20 -5.35 -1.05 -4.90 119.36 102.20 2aa9 n ILE 423 Ca 0.08 -0.27 -0.42 0.00 -0.27 0.00 0.00 62.75 61.86 2aa9 n ILE 423 Cb 0.07 1.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.95 2aa9 n ILE 423 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2aa9 s SER 424 N -2.33 7.17 0.11 7.28 0.01 -0.72 -1.37 113.70 123.86 2aa9 s SER 424 Ca 0.24 1.60 0.10 0.00 1.31 0.00 0.00 55.95 59.20 2aa9 s SER 424 Cb 0.19 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 2aa9 s SER 424 CO 0.48 -0.51 -0.25 -1.10 0.41 0.00 0.00 173.24 172.26 2aa9 s GLN 425 N 2.20 1.37 0.12 12.44 -1.52 0.64 -4.97 119.66 129.94 2aa9 s GLN 425 Ca 0.50 -1.27 0.20 0.00 -1.95 0.00 0.00 55.36 52.84 2aa9 s GLN 425 Cb -0.20 -1.78 -0.09 0.00 -0.22 0.00 0.00 33.01 30.73 2aa9 s GLN 425 CO 0.18 0.42 0.89 0.00 -0.25 0.00 0.00 175.29 176.54 2aa9 n ALA 426 N 1.06 2.29 0.02 6.09 0.00 -1.26 -2.66 120.51 126.04 2aa9 n ALA 426 Ca -0.18 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2aa9 n ALA 426 Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2aa9 n ALA 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50