#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1doa h PRO 6 N 0.00 -0.19 -3.78 5.31 0.11 -1.96 -3.49 132.00 128.00 1doa h PRO 6 Ca 0.00 0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.99 1doa h PRO 6 Cb 0.00 0.04 -0.19 0.00 0.11 0.00 0.00 31.00 30.97 1doa h PRO 6 CO 0.00 -0.13 -0.55 0.99 -0.21 0.00 0.00 178.00 178.10 1doa s THR 7 N -2.89 0.12 0.00 -1.15 2.01 -1.26 -4.59 115.64 107.88 1doa s THR 7 Ca -0.03 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 60.97 1doa s THR 7 Cb 0.00 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.80 1doa s THR 7 CO 0.09 -0.55 0.00 0.00 -0.69 0.00 0.00 174.62 173.47 1doa n ALA 8 N 1.03 0.00 -0.99 7.40 0.00 -1.26 -5.02 120.51 121.66 1doa n ALA 8 Ca -0.20 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.31 1doa n ALA 8 Cb 0.57 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.32 1doa n ALA 8 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1doa n GLU 9 N 0.00 3.38 -0.03 0.00 0.00 -1.26 -4.46 120.64 118.27 1doa n GLU 9 Ca 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 57.16 54.23 1doa n GLU 9 Cb 0.00 -1.96 0.02 0.00 0.00 0.00 0.00 31.44 29.50 1doa n GLU 9 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1doa n GLN 10 N -0.26 1.14 0.09 5.31 7.27 -1.26 -3.54 117.38 126.13 1doa n GLN 10 Ca 0.24 -0.13 -0.04 0.00 0.07 0.00 0.00 57.00 57.13 1doa n GLN 10 Cb 0.98 -1.37 0.14 0.00 2.41 0.00 0.00 30.24 32.40 1doa n GLN 10 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1doa h LEU 11 N 0.18 0.23 -1.34 1.69 3.38 -1.98 -2.97 115.31 114.51 1doa h LEU 11 Ca 0.00 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1doa h LEU 11 Cb 0.40 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1doa h LEU 11 CO 0.01 0.77 -0.31 0.00 0.09 0.00 0.00 178.44 179.00 1doa h ALA 12 N 1.24 1.45 0.00 1.53 0.00 -1.96 -2.38 119.26 119.14 1doa h ALA 12 Ca -0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1doa h ALA 12 Cb 1.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1doa h ALA 12 CO 0.09 0.41 -0.58 0.37 0.00 0.00 0.00 179.25 179.54 1doa h GLN 13 N 0.03 0.00 -0.01 0.00 4.15 -1.79 -2.86 115.11 114.63 1doa h GLN 13 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1doa h GLN 13 Cb 0.57 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.26 1doa h GLN 13 CO 0.04 0.58 0.01 0.82 -1.93 0.00 0.00 178.83 178.35 1doa h ILE 14 N 0.00 0.38 0.00 2.39 2.04 -1.41 -3.13 117.51 117.78 1doa h ILE 14 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1doa h ILE 14 Cb 1.04 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1doa h ILE 14 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.23 1doa n ALA 15 N -2.25 2.48 -0.52 1.87 0.00 -1.08 -4.23 120.51 116.78 1doa n ALA 15 Ca -0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 1doa n ALA 15 Cb 0.09 -1.63 0.04 0.00 0.00 0.00 0.00 19.45 17.96 1doa n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1doa n ALA 16 N 1.82 4.52 -1.00 0.00 0.00 -1.18 -4.15 120.51 120.52 1doa n ALA 16 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.19 1doa n ALA 16 Cb 0.20 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1doa n ALA 16 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1doa n GLU 17 N 0.37 0.00 0.00 0.00 1.02 -1.26 -5.13 120.64 115.63 1doa n GLU 17 Ca 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1doa n GLU 17 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.10 1doa n GLU 17 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1doa n ASN 18 N -0.89 0.00 -4.41 1.62 5.15 -1.26 -4.38 115.26 111.09 1doa n ASN 18 Ca 0.00 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.60 1doa n ASN 18 Cb 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.13 1doa n ASN 18 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1doa s GLU 19 N 0.00 3.31 0.00 1.20 2.12 -1.26 -4.51 118.70 119.56 1doa s GLU 19 Ca 0.00 -0.72 0.00 0.00 0.36 0.00 0.00 54.97 54.61 1doa s GLU 19 Cb 0.00 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 30.94 1doa s GLU 19 CO 0.00 -0.38 0.00 0.39 -0.54 0.00 0.00 175.26 174.73 1doa n GLU 20 N 4.93 0.00 -0.19 4.30 -0.58 -1.26 -4.94 120.64 122.90 1doa n GLU 20 Ca -0.14 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.68 1doa n GLU 20 Cb 0.49 0.00 0.24 0.00 -0.57 0.00 0.00 31.44 31.60 1doa n GLU 20 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1doa n ASP 21 N 0.00 2.30 0.12 1.62 9.92 -1.26 -4.37 116.55 124.88 1doa n ASP 21 Ca 0.00 -1.93 -0.05 0.00 -0.53 0.00 0.00 54.79 52.28 1doa n ASP 21 Cb 0.00 -0.25 -0.03 0.00 -0.64 0.00 0.00 41.12 40.21 1doa n ASP 21 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1doa h GLU 22 N 2.66 -0.34 0.00 -1.24 4.81 -1.93 -3.46 114.58 115.09 1doa h GLU 22 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1doa h GLU 22 Cb 0.60 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1doa h GLU 22 CO 0.00 -0.22 0.00 0.72 -0.73 0.00 0.00 179.01 178.78 1doa n HIS 23 N -3.82 0.00 -3.72 0.92 8.25 -1.26 -4.86 115.22 110.73 1doa n HIS 23 Ca -0.04 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.28 1doa n HIS 23 Cb 0.14 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.17 1doa n HIS 23 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1doa s SER 24 N 0.00 -0.29 -0.55 0.41 1.04 -1.26 -5.10 113.70 107.96 1doa s SER 24 Ca 0.00 0.23 -0.27 0.00 0.48 0.00 0.00 55.95 56.39 1doa s SER 24 Cb 0.00 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 1doa s SER 24 CO 0.00 -0.46 1.66 -0.69 0.98 0.00 0.00 173.24 174.72 1doa s VAL 25 N -1.23 3.55 0.20 5.02 1.01 -1.26 -4.91 120.40 122.78 1doa s VAL 25 Ca -0.12 0.44 -0.29 0.00 0.00 0.00 0.00 61.98 62.00 1doa s VAL 25 Cb -0.04 -4.12 -0.17 0.00 0.00 0.00 0.00 36.38 32.05 1doa s VAL 25 CO 0.05 -0.97 0.63 0.59 0.00 0.00 0.00 175.10 175.41 1doa n ASN 26 N 10.98 -0.75 0.03 3.32 4.13 -1.26 -4.94 115.26 126.77 1doa n ASN 26 Ca 0.17 1.14 -0.02 0.00 1.68 0.00 0.00 54.58 57.54 1doa n ASN 26 Cb 0.50 -1.01 -0.01 0.00 -1.54 0.00 0.00 39.78 37.72 1doa n ASN 26 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1doa h TYR 27 N 1.30 -0.20 0.00 3.10 3.20 -2.04 -3.50 116.97 118.83 1doa h TYR 27 Ca -0.31 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.56 1doa h TYR 27 Cb 1.42 0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.78 1doa h TYR 27 CO 0.44 -0.09 0.00 1.63 -1.64 0.00 0.00 178.16 178.50 1doa n LYS 28 N -2.79 0.00 -1.64 1.82 5.02 -1.26 -5.06 118.16 114.25 1doa n LYS 28 Ca -0.01 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.90 1doa n LYS 28 Cb 0.06 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.12 1doa n LYS 28 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1doa n PRO 29 N 1.59 1.05 -2.61 1.97 -0.02 -1.26 -4.97 135.00 130.74 1doa n PRO 29 Ca 0.00 0.40 -0.32 0.00 -2.02 0.00 0.00 63.50 61.56 1doa n PRO 29 Cb 0.00 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.20 1doa n PRO 29 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1doa s PRO 30 N -2.76 3.96 0.88 0.52 0.04 -1.26 -5.02 135.00 131.35 1doa s PRO 30 Ca 0.75 0.85 -0.14 0.00 0.04 0.00 0.00 61.00 62.50 1doa s PRO 30 Cb -0.42 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 31.90 1doa s PRO 30 CO 0.47 -0.15 0.41 0.00 0.04 0.00 0.00 177.00 177.77 1doa n ALA 31 N -1.29 -2.34 -2.07 8.56 0.00 -1.26 -4.85 120.51 117.27 1doa n ALA 31 Ca 0.05 -0.50 -0.41 0.00 0.00 0.00 0.00 53.44 52.59 1doa n ALA 31 Cb 0.54 -1.80 -0.00 0.00 0.00 0.00 0.00 19.45 18.19 1doa n ALA 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1doa n GLN 32 N -1.27 4.23 -1.24 0.00 1.13 -1.26 -4.96 117.38 114.01 1doa n GLN 32 Ca 0.07 -3.42 -0.22 0.00 -1.94 0.00 0.00 57.00 51.50 1doa n GLN 32 Cb 0.52 -2.74 0.16 0.00 0.11 0.00 0.00 30.24 28.30 1doa n GLN 32 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1doa n LYS 33 N 2.52 -1.46 -4.00 -1.09 4.81 -1.26 -5.10 118.16 112.57 1doa n LYS 33 Ca 0.56 -1.48 -0.08 0.00 -0.87 0.00 0.00 58.31 56.44 1doa n LYS 33 Cb 0.28 -1.09 -0.09 0.00 0.02 0.00 0.00 35.03 34.16 1doa n LYS 33 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1doa s SER 34 N -4.39 0.30 0.18 3.14 1.04 -1.26 -4.97 113.70 107.74 1doa s SER 34 Ca 0.56 -0.89 -0.18 0.00 0.48 0.00 0.00 55.95 55.92 1doa s SER 34 Cb -0.03 0.28 0.14 0.00 0.10 0.00 0.00 66.02 66.51 1doa s SER 34 CO 0.40 -0.69 1.62 0.40 0.98 0.00 0.00 173.24 175.96 1doa h ILE 35 N 2.92 0.37 -0.77 -1.02 2.04 -1.98 0.59 117.51 119.65 1doa h ILE 35 Ca -0.34 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1doa h ILE 35 Cb 1.18 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 1doa h ILE 35 CO 0.60 0.00 0.44 -0.61 0.00 0.00 0.00 178.15 178.58 1doa h GLN 36 N -0.10 1.06 -0.53 2.37 4.15 -1.98 0.38 115.11 120.46 1doa h GLN 36 Ca 0.23 -0.11 -0.11 0.00 0.77 0.00 0.00 58.65 59.43 1doa h GLN 36 Cb 0.46 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1doa h GLN 36 CO -0.55 0.77 -0.10 0.93 -1.93 0.00 0.00 178.83 177.95 1doa h GLU 37 N 1.07 1.00 -0.52 1.69 5.08 -1.42 -2.30 114.58 119.19 1doa h GLU 37 Ca 0.28 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1doa h GLU 37 Cb 0.00 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1doa h GLU 37 CO -0.05 1.04 0.11 0.82 -1.00 0.00 0.00 179.01 179.92 1doa h ILE 38 N 0.89 1.25 0.00 3.13 1.08 0.12 -2.82 117.51 121.15 1doa h ILE 38 Ca 0.14 -0.90 -0.01 0.00 -0.39 0.00 0.00 64.86 63.71 1doa h ILE 38 Cb 0.65 0.84 -0.00 0.00 -3.07 0.00 0.00 36.82 35.24 1doa h ILE 38 CO 0.05 0.32 -0.04 -0.61 -0.69 0.00 0.00 178.15 177.18 1doa h GLN 39 N 0.73 0.00 -0.02 2.37 5.75 0.04 -2.89 115.11 121.08 1doa h GLN 39 Ca 0.16 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1doa h GLN 39 Cb 0.36 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.91 1doa h GLN 39 CO 0.01 0.04 -0.04 -0.85 -2.65 0.00 0.00 178.83 175.33 1doa n GLU 40 N -4.04 1.76 -0.11 1.69 0.28 -0.90 -4.61 120.64 114.71 1doa n GLU 40 Ca -0.03 -1.61 -0.02 0.00 -0.16 0.00 0.00 57.16 55.34 1doa n GLU 40 Cb 0.13 -1.38 0.22 0.00 1.43 0.00 0.00 31.44 31.83 1doa n GLU 40 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1doa h LEU 41 N 3.74 0.72 -5.40 -1.84 3.38 -1.28 -3.37 115.31 111.26 1doa h LEU 41 Ca 0.00 -0.12 -0.34 0.00 0.09 0.00 0.00 57.88 57.51 1doa h LEU 41 Cb 0.82 -0.19 -0.25 0.00 0.09 0.00 0.00 40.66 41.13 1doa h LEU 41 CO 0.00 0.71 -0.74 0.47 0.09 0.00 0.00 178.44 178.96 1doa n ASP 42 N -4.29 -1.20 0.26 -0.43 9.92 -1.26 -4.96 116.55 114.59 1doa n ASP 42 Ca 0.04 -3.35 0.15 0.00 -0.53 0.00 0.00 54.79 51.09 1doa n ASP 42 Cb 0.21 0.90 0.85 0.00 -0.64 0.00 0.00 41.12 42.44 1doa n ASP 42 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1doa h LYS 43 N 3.21 0.00 0.00 -1.24 1.63 -1.82 -1.73 116.57 116.63 1doa h LYS 43 Ca -0.03 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.72 1doa h LYS 43 Cb 1.03 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.65 1doa h LYS 43 CO 0.30 0.00 -0.26 0.38 -3.45 0.00 0.00 179.45 176.42 1doa h ASP 44 N 0.00 0.00 -2.70 4.20 2.03 -1.95 -3.41 116.42 114.60 1doa h ASP 44 Ca 0.03 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.70 1doa h ASP 44 Cb 0.15 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 38.51 1doa h ASP 44 CO -0.00 0.26 0.54 -0.62 -1.03 0.00 0.00 179.24 178.39 1doa s ASP 45 N -6.88 6.18 0.23 4.15 2.15 -0.65 -4.92 116.67 116.93 1doa s ASP 45 Ca -0.03 -0.95 -0.07 0.00 0.43 0.00 0.00 52.55 51.93 1doa s ASP 45 Cb 0.15 -2.42 0.37 0.00 -0.30 0.00 0.00 42.92 40.72 1doa s ASP 45 CO 0.70 -1.42 1.75 -0.08 -0.17 0.00 0.00 175.17 175.95 1doa h GLU 46 N 9.55 0.47 -0.82 4.34 4.81 -1.86 -1.44 114.58 129.63 1doa h GLU 46 Ca -0.29 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.95 1doa h GLU 46 Cb 1.07 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.29 1doa h GLU 46 CO 1.17 0.31 0.52 1.03 -0.73 0.00 0.00 179.01 181.32 1doa h SER 47 N 0.49 0.86 0.24 1.04 0.87 -1.96 -2.09 113.55 113.00 1doa h SER 47 Ca 0.36 -0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.77 1doa h SER 47 Cb 0.47 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1doa h SER 47 CO -0.33 0.58 -0.59 0.25 -0.53 0.00 0.00 176.83 176.21 1doa h LEU 48 N 1.01 0.40 -0.78 2.23 5.85 -1.64 -2.24 115.31 120.14 1doa h LEU 48 Ca 0.33 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 1doa h LEU 48 Cb 0.03 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1doa h LEU 48 CO -0.12 0.90 -0.12 0.03 -0.34 0.00 0.00 178.44 178.79 1doa h ARG 49 N 0.26 0.80 -0.47 1.25 3.08 -0.87 0.41 114.38 118.86 1doa h ARG 49 Ca -0.00 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.70 1doa h ARG 49 Cb 1.11 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1doa h ARG 49 CO 0.10 0.88 -0.02 0.87 -1.07 0.00 0.00 179.97 180.74 1doa h LYS 50 N 0.72 0.78 -0.26 0.04 1.57 -1.27 -0.22 116.57 117.93 1doa h LYS 50 Ca 0.12 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1doa h LYS 50 Cb 0.61 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1doa h LYS 50 CO 0.04 0.80 0.04 -0.92 -0.57 0.00 0.00 179.45 178.84 1doa h TYR 51 N 0.73 0.46 -0.35 -1.35 3.20 -0.82 -1.22 116.97 117.61 1doa h TYR 51 Ca 0.14 -0.06 -0.14 0.00 3.14 0.00 0.00 58.73 61.80 1doa h TYR 51 Cb 0.47 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1doa h TYR 51 CO 0.02 0.54 -0.36 0.87 -1.64 0.00 0.00 178.16 177.60 1doa h LYS 52 N 0.24 0.81 -0.65 1.82 1.57 -0.79 -2.91 116.57 116.67 1doa h LYS 52 Ca 0.08 -0.40 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1doa h LYS 52 Cb 0.33 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 1doa h LYS 52 CO 0.01 1.03 0.33 1.49 -0.57 0.00 0.00 179.45 181.74 1doa h GLU 53 N 0.67 0.91 -0.69 3.15 4.81 -0.80 0.77 114.58 123.40 1doa h GLU 53 Ca 0.06 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1doa h GLU 53 Cb 0.91 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 1doa h GLU 53 CO 0.08 0.71 0.34 0.00 -0.73 0.00 0.00 179.01 179.42 1doa h ALA 54 N 1.16 0.89 0.04 2.92 0.00 -1.19 0.28 119.26 123.36 1doa h ALA 54 Ca 0.22 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1doa h ALA 54 Cb 0.08 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.61 1doa h ALA 54 CO -0.03 0.44 -0.56 -0.07 0.00 0.00 0.00 179.25 179.03 1doa h LEU 55 N 0.96 0.42 0.00 0.00 3.38 -1.27 -3.36 115.31 115.43 1doa h LEU 55 Ca 0.24 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1doa h LEU 55 Cb 0.10 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1doa h LEU 55 CO -0.03 1.21 -0.47 0.18 0.09 0.00 0.00 178.44 179.41 1doa n LEU 56 N -4.27 0.49 0.00 1.67 4.77 0.27 -4.79 117.00 115.13 1doa n LEU 56 Ca -0.11 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1doa n LEU 56 Cb 0.67 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1doa n LEU 56 CO 0.45 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1doa n GLY 57 N 1.46 2.24 3.64 -0.72 0.00 1.00 -4.83 105.19 107.97 1doa n GLY 57 Ca 0.05 -0.52 -0.06 0.00 0.00 0.00 0.00 46.02 45.49 1doa n GLY 57 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1doa s ARG 58 N 0.00 0.58 1.63 1.61 1.70 -1.26 -4.71 118.95 118.50 1doa s ARG 58 Ca 0.00 0.94 0.00 0.00 -0.47 0.00 0.00 55.73 56.20 1doa s ARG 58 Cb 0.00 0.14 0.00 0.00 -0.57 0.00 0.00 34.95 34.52 1doa s ARG 58 CO 0.00 -0.11 0.00 0.28 -1.08 0.00 0.00 175.30 174.39 1doa n VAL 59 N 3.79 0.00 -2.00 4.99 0.31 -1.26 -5.04 118.33 119.11 1doa n VAL 59 Ca -0.18 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.13 1doa n VAL 59 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 1doa n VAL 59 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1doa n ALA 60 N 0.29 -3.12 -3.61 3.52 0.00 -1.26 -4.97 120.51 111.35 1doa n ALA 60 Ca 0.00 0.31 -0.27 0.00 0.00 0.00 0.00 53.44 53.48 1doa n ALA 60 Cb 0.00 -0.83 -0.17 0.00 0.00 0.00 0.00 19.45 18.45 1doa n ALA 60 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1doa s VAL 61 N -1.04 0.00 0.00 0.00 1.01 -1.26 -4.68 120.40 114.43 1doa s VAL 61 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1doa s VAL 61 Cb -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1doa s VAL 61 CO 0.31 -0.37 0.00 -1.54 0.00 0.00 0.00 175.10 173.50 1doa n SER 62 N 5.24 0.00 -4.72 3.32 3.41 -1.26 -4.96 113.62 114.65 1doa n SER 62 Ca -0.07 0.00 -0.65 0.00 -0.26 0.00 0.00 58.87 57.89 1doa n SER 62 Cb 0.47 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.33 1doa n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1doa n ALA 63 N -3.00 -1.26 -0.12 7.33 0.00 -1.26 -4.90 120.51 117.30 1doa n ALA 63 Ca 0.00 0.48 -0.21 0.00 0.00 0.00 0.00 53.44 53.72 1doa n ALA 63 Cb 0.00 -1.98 -0.10 0.00 0.00 0.00 0.00 19.45 17.37 1doa n ALA 63 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1doa n ASP 64 N 4.10 2.02 0.00 0.00 -0.08 -1.26 -4.47 116.55 116.85 1doa n ASP 64 Ca 0.29 0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 1doa n ASP 64 Cb -0.00 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 42.94 1doa n ASP 64 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1doa n PRO 65 N -3.55 0.00 -0.19 -0.67 -0.02 -1.26 -4.32 135.00 124.99 1doa n PRO 65 Ca -0.45 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.02 1doa n PRO 65 Cb 0.91 -0.79 0.09 0.00 -0.02 0.00 0.00 33.50 33.69 1doa n PRO 65 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1doa h ASN 66 N 0.00 -0.21 -3.26 2.55 -0.00 -2.01 -3.42 115.58 109.22 1doa h ASN 66 Ca 0.00 0.13 -0.54 0.00 -0.00 0.00 0.00 56.30 55.89 1doa h ASN 66 Cb 0.00 0.23 -0.02 0.00 -0.00 0.00 0.00 38.32 38.53 1doa h ASN 66 CO 0.00 -0.08 0.52 -0.69 -0.00 0.00 0.00 177.43 177.18 1doa s VAL 67 N -6.15 4.51 0.99 2.57 1.01 -1.26 -5.06 120.40 117.01 1doa s VAL 67 Ca -0.13 1.80 -0.16 0.00 0.00 0.00 0.00 61.98 63.48 1doa s VAL 67 Cb 0.18 -4.15 0.21 0.00 0.00 0.00 0.00 36.38 32.61 1doa s VAL 67 CO 0.73 0.09 1.29 -2.84 0.00 0.00 0.00 175.10 174.37 1doa s PRO 68 N 1.42 0.40 0.13 2.72 0.02 -1.26 -4.74 135.00 133.69 1doa s PRO 68 Ca 0.54 -0.35 -0.12 0.00 0.02 0.00 0.00 61.00 61.09 1doa s PRO 68 Cb -0.24 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.42 1doa s PRO 68 CO 0.26 -2.59 1.47 -0.97 -0.33 0.00 0.00 177.00 174.84 1doa h ASN 69 N -1.77 0.96 -4.35 2.53 -1.24 -1.97 -3.41 115.58 106.33 1doa h ASN 69 Ca -0.44 -0.46 -0.70 0.00 0.71 0.00 0.00 56.30 55.41 1doa h ASN 69 Cb 1.24 -0.27 -0.27 0.00 0.73 0.00 0.00 38.32 39.76 1doa h ASN 69 CO 0.38 1.22 -0.86 -0.69 -1.29 0.00 0.00 177.43 176.19 1doa s VAL 70 N -4.41 2.28 -0.31 2.57 1.01 -1.26 0.77 120.40 121.06 1doa s VAL 70 Ca -0.11 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 60.68 1doa s VAL 70 Cb 0.11 -1.86 0.14 0.00 0.00 0.00 0.00 36.38 34.77 1doa s VAL 70 CO 0.87 0.47 0.33 0.54 0.00 0.00 0.00 175.10 177.30 1doa s VAL 71 N -0.74 -0.42 0.12 2.92 0.11 -0.68 -5.00 120.40 116.71 1doa s VAL 71 Ca 0.11 -0.56 -0.31 0.00 -2.93 0.00 0.00 61.98 58.29 1doa s VAL 71 Cb -0.10 -0.93 -0.07 0.00 -1.53 0.00 0.00 36.38 33.75 1doa s VAL 71 CO 0.01 -0.47 1.31 -0.69 -3.33 0.00 0.00 175.10 171.93 1doa s VAL 72 N 2.20 3.52 -0.19 2.04 1.01 -1.26 -2.10 120.40 125.62 1doa s VAL 72 Ca 0.11 1.13 -0.14 0.00 0.00 0.00 0.00 61.98 63.07 1doa s VAL 72 Cb -0.14 -3.72 -0.21 0.00 0.00 0.00 0.00 36.38 32.31 1doa s VAL 72 CO -0.27 0.11 0.18 0.41 0.00 0.00 0.00 175.10 175.53 1doa n THR 73 N 3.62 1.62 -3.80 3.92 -1.04 0.23 -4.59 114.28 114.24 1doa n THR 73 Ca 0.09 -0.32 -0.05 0.00 -2.04 0.00 0.00 64.05 61.74 1doa n THR 73 Cb 0.44 -1.88 -0.01 0.00 -1.82 0.00 0.00 70.33 67.06 1doa n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1doa s ARG 74 N -2.46 1.43 -0.10 -2.82 1.70 -0.89 -2.08 118.95 113.73 1doa s ARG 74 Ca -0.28 -0.82 -0.01 0.00 -0.47 0.00 0.00 55.73 54.15 1doa s ARG 74 Cb 0.07 0.47 0.03 0.00 -0.57 0.00 0.00 34.95 34.95 1doa s ARG 74 CO 0.64 -0.66 -0.05 -1.17 -1.08 0.00 0.00 175.30 172.99 1doa s LEU 75 N -3.00 0.96 -0.03 -1.89 2.96 -1.20 -1.12 118.68 115.36 1doa s LEU 75 Ca 0.13 -0.22 0.06 0.00 -0.22 0.00 0.00 54.13 53.88 1doa s LEU 75 Cb -0.03 -0.69 -0.02 0.00 0.50 0.00 0.00 46.19 45.95 1doa s LEU 75 CO 0.04 -0.15 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.83 1doa s THR 76 N 1.80 2.51 -0.49 3.68 2.01 0.38 -2.40 115.64 123.14 1doa s THR 76 Ca 0.05 -0.93 -0.19 0.00 0.31 0.00 0.00 61.69 60.93 1doa s THR 76 Cb -0.12 -1.93 0.05 0.00 0.01 0.00 0.00 72.50 70.51 1doa s THR 76 CO -0.07 0.58 0.59 -0.22 -0.69 0.00 0.00 174.62 174.82 1doa s LEU 77 N -0.65 4.95 -0.43 4.42 2.96 0.09 0.03 118.68 130.05 1doa s LEU 77 Ca 0.10 -0.85 -0.26 0.00 -0.22 0.00 0.00 54.13 52.90 1doa s LEU 77 Cb -0.10 -2.45 0.02 0.00 0.50 0.00 0.00 46.19 44.16 1doa s LEU 77 CO -0.00 -0.83 0.94 -0.69 -1.32 0.00 0.00 176.35 174.45 1doa s VAL 78 N 2.53 4.49 -0.13 1.68 1.01 -0.27 -4.54 120.40 125.18 1doa s VAL 78 Ca 0.15 0.93 -0.06 0.00 0.00 0.00 0.00 61.98 63.00 1doa s VAL 78 Cb -0.19 -4.41 0.06 0.00 0.00 0.00 0.00 36.38 31.84 1doa s VAL 78 CO 0.13 -0.74 0.29 0.00 0.00 0.00 0.00 175.10 174.77 1doa h SER 80 N 7.52 0.00 1.02 0.00 4.64 -1.94 -3.19 113.55 121.60 1doa h SER 80 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1doa h SER 80 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1doa h SER 80 CO 0.28 0.42 -0.88 0.74 -0.87 0.00 0.00 176.83 176.52 1doa h THR 81 N 0.00 0.00 -3.06 2.95 2.02 -1.96 -3.45 112.91 109.40 1doa h THR 81 Ca -0.00 -0.90 -0.57 0.00 0.77 0.00 0.00 66.41 65.71 1doa h THR 81 Cb 0.99 1.44 -0.05 0.00 -1.74 0.00 0.00 68.15 68.79 1doa h THR 81 CO 0.05 0.00 0.95 0.00 0.37 0.00 0.00 175.52 176.90 1doa s ALA 82 N -3.32 3.45 0.02 6.16 0.00 -1.21 -4.94 121.76 121.93 1doa s ALA 82 Ca 0.01 0.22 -0.24 0.00 0.00 0.00 0.00 51.96 51.95 1doa s ALA 82 Cb 0.10 -3.73 -0.17 0.00 0.00 0.00 0.00 23.12 19.32 1doa s ALA 82 CO 0.77 -1.59 1.40 -1.35 0.00 0.00 0.00 175.76 175.00 1doa h PRO 83 N 8.98 0.09 -5.87 0.00 0.11 -1.88 -3.44 132.00 129.98 1doa h PRO 83 Ca -0.26 -0.03 -0.63 0.00 0.11 0.00 0.00 66.00 65.18 1doa h PRO 83 Cb 1.10 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 1doa h PRO 83 CO 1.01 0.42 -0.37 0.20 -0.21 0.00 0.00 178.00 179.05 1doa s GLY 84 N -2.99 2.27 0.44 -0.55 0.00 -1.26 -5.08 107.32 100.15 1doa s GLY 84 Ca -0.15 -0.53 -0.25 0.00 0.00 0.00 0.00 44.72 43.79 1doa s GLY 84 CO 0.69 -0.30 1.36 -4.14 0.00 0.00 0.00 173.10 170.71 1doa s PRO 85 N -1.51 3.78 -0.31 2.90 0.02 -1.26 -5.03 135.00 133.59 1doa s PRO 85 Ca 0.24 2.27 0.02 0.00 0.02 0.00 0.00 61.00 63.56 1doa s PRO 85 Cb -0.13 -2.67 0.09 0.00 0.02 0.00 0.00 34.50 31.81 1doa s PRO 85 CO 0.13 -0.68 0.04 -0.51 -0.33 0.00 0.00 177.00 175.64 1doa s LEU 86 N -2.65 3.76 0.32 -5.54 1.02 -1.26 -5.08 118.68 109.26 1doa s LEU 86 Ca 0.60 -1.85 0.03 0.00 0.02 0.00 0.00 54.13 52.93 1doa s LEU 86 Cb -0.40 -1.37 -0.05 0.00 0.02 0.00 0.00 46.19 44.38 1doa s LEU 86 CO 0.52 -0.36 0.09 -1.61 0.02 0.00 0.00 176.35 175.01 1doa s GLU 87 N 1.16 1.64 -0.23 1.70 2.02 -1.26 -0.73 118.70 122.99 1doa s GLU 87 Ca 0.07 -1.93 -0.03 0.00 0.02 0.00 0.00 54.97 53.10 1doa s GLU 87 Cb -0.19 -0.59 0.11 0.00 0.10 0.00 0.00 34.13 33.56 1doa s GLU 87 CO -0.12 -0.30 0.25 -0.51 0.02 0.00 0.00 175.26 174.61 1doa s LEU 88 N -3.46 -0.17 -0.97 1.80 1.43 -1.01 -4.99 118.68 111.32 1doa s LEU 88 Ca 0.34 -0.36 -0.24 0.00 -1.03 0.00 0.00 54.13 52.84 1doa s LEU 88 Cb 0.07 0.46 -0.02 0.00 0.03 0.00 0.00 46.19 46.73 1doa s LEU 88 CO 0.15 -0.35 1.82 -1.81 0.23 0.00 0.00 176.35 176.39 1doa s ASP 89 N 2.35 5.51 0.00 2.29 1.01 -1.26 -3.27 116.67 123.30 1doa s ASP 89 Ca 0.08 -1.00 0.00 0.00 0.71 0.00 0.00 52.55 52.34 1doa s ASP 89 Cb -0.15 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.21 1doa s ASP 89 CO -0.19 -2.43 0.90 0.18 0.21 0.00 0.00 175.17 173.85 1doa n LEU 90 N 12.62 2.48 -4.04 1.23 4.77 -0.89 -4.63 117.00 128.54 1doa n LEU 90 Ca 0.39 -1.14 -0.29 0.00 -0.03 0.00 0.00 56.01 54.94 1doa n LEU 90 Cb 0.48 -0.50 -0.17 0.00 -2.33 0.00 0.00 43.42 40.90 1doa n LEU 90 CO 0.63 0.46 -0.49 0.42 -1.33 0.00 0.00 177.39 177.07 1doa s THR 91 N 0.77 1.48 0.00 -5.08 -4.23 -1.26 -4.74 115.64 102.58 1doa s THR 91 Ca 0.00 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1doa s THR 91 Cb 0.00 -1.37 0.00 0.00 1.34 0.00 0.00 72.50 72.47 1doa s THR 91 CO 0.00 0.44 0.00 0.61 -0.54 0.00 0.00 174.62 175.13 1doa n GLY 92 N 4.33 0.91 3.68 3.99 0.00 -1.26 -4.86 105.19 111.97 1doa n GLY 92 Ca -0.18 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1doa n GLY 92 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1doa s ASP 93 N -4.00 6.63 -0.01 1.61 -4.77 -1.26 -4.89 116.67 109.97 1doa s ASP 93 Ca 0.00 2.39 0.11 0.00 -3.30 0.00 0.00 52.55 51.75 1doa s ASP 93 Cb 0.00 -2.55 -0.16 0.00 -1.09 0.00 0.00 42.92 39.12 1doa s ASP 93 CO 0.00 -0.90 0.27 0.18 0.70 0.00 0.00 175.17 175.42 1doa n LEU 94 N 6.26 0.09 0.30 2.11 4.77 -1.26 -4.52 117.00 124.75 1doa n LEU 94 Ca 0.16 -0.09 0.17 0.00 -0.03 0.00 0.00 56.01 56.23 1doa n LEU 94 Cb 0.42 0.00 0.96 0.00 -2.33 0.00 0.00 43.42 42.47 1doa n LEU 94 CO 0.63 0.02 1.11 -0.33 -1.33 0.00 0.00 177.39 177.49 1doa h GLU 95 N 0.00 0.00 -0.48 3.23 4.39 -1.92 -1.97 114.58 117.83 1doa h GLU 95 Ca 0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.73 1doa h GLU 95 Cb 0.45 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 1doa h GLU 95 CO 0.00 0.02 0.32 0.66 -1.16 0.00 0.00 179.01 178.85 1doa h SER 96 N 0.00 0.47 0.45 1.42 4.64 -1.95 -1.02 113.55 117.55 1doa h SER 96 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1doa h SER 96 Cb 0.09 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1doa h SER 96 CO 0.00 0.32 0.00 0.49 -0.87 0.00 0.00 176.83 176.78 1doa n PHE 97 N -4.47 0.00 1.27 4.77 0.99 -0.74 -2.59 117.46 116.69 1doa n PHE 97 Ca 0.05 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.54 1doa n PHE 97 Cb 0.14 -0.49 0.13 0.00 -1.00 0.00 0.00 39.48 38.26 1doa n PHE 97 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1doa n LYS 98 N -1.49 1.54 -1.01 -1.08 5.02 -0.38 -3.25 118.16 117.49 1doa n LYS 98 Ca 0.03 -0.83 -0.01 0.00 -2.02 0.00 0.00 58.31 55.48 1doa n LYS 98 Cb 0.15 -1.19 -0.02 0.00 -0.02 0.00 0.00 35.03 33.95 1doa n LYS 98 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1doa n LYS 99 N 0.17 0.00 -4.01 1.97 4.81 -1.07 -4.94 118.16 115.09 1doa n LYS 99 Ca 0.08 -1.16 -0.22 0.00 -0.87 0.00 0.00 58.31 56.14 1doa n LYS 99 Cb 0.20 0.11 -0.03 0.00 0.02 0.00 0.00 35.03 35.33 1doa n LYS 99 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1doa s GLN 100 N 0.00 3.30 -0.79 1.64 -0.21 -1.25 -5.07 119.66 117.28 1doa s GLN 100 Ca 0.11 -0.83 0.01 0.00 0.02 0.00 0.00 55.36 54.67 1doa s GLN 100 Cb 0.13 -2.81 0.19 0.00 1.00 0.00 0.00 33.01 31.52 1doa s GLN 100 CO -0.06 0.43 0.63 -1.54 -2.12 0.00 0.00 175.29 172.64 1doa s SER 101 N -3.87 5.46 -0.69 5.90 1.04 -1.26 -4.65 113.70 115.63 1doa s SER 101 Ca 0.34 -3.67 -0.25 0.00 0.48 0.00 0.00 55.95 52.84 1doa s SER 101 Cb -0.09 -1.80 0.05 0.00 0.10 0.00 0.00 66.02 64.28 1doa s SER 101 CO 0.28 -0.17 1.14 -0.36 0.98 0.00 0.00 173.24 175.11 1doa s PHE 102 N -1.24 2.48 0.21 5.02 0.40 -1.24 -4.95 117.98 118.66 1doa s PHE 102 Ca 0.25 -0.19 -0.22 0.00 -0.60 0.00 0.00 56.93 56.17 1doa s PHE 102 Cb -0.08 -4.46 -0.08 0.00 0.51 0.00 0.00 43.02 38.90 1doa s PHE 102 CO -0.13 -1.84 0.76 0.14 0.70 0.00 0.00 175.22 174.85 1doa s VAL 103 N 4.97 4.48 -0.25 -0.44 -7.23 -1.26 0.15 120.40 120.83 1doa s VAL 103 Ca 0.31 1.45 -0.03 0.00 -1.81 0.00 0.00 61.98 61.89 1doa s VAL 103 Cb -0.11 -3.95 0.10 0.00 0.56 0.00 0.00 36.38 32.98 1doa s VAL 103 CO 0.14 0.29 0.21 -0.22 -0.31 0.00 0.00 175.10 175.21 1doa s LEU 104 N -1.75 0.05 0.25 1.32 2.96 -0.34 -4.92 118.68 116.25 1doa s LEU 104 Ca 0.41 -0.67 -0.31 0.00 -0.22 0.00 0.00 54.13 53.34 1doa s LEU 104 Cb -0.19 0.18 -0.14 0.00 0.50 0.00 0.00 46.19 46.55 1doa s LEU 104 CO 0.23 -0.37 1.28 1.17 -1.32 0.00 0.00 176.35 177.33 1doa n LYS 105 N 5.30 1.77 -1.54 1.98 4.81 -1.26 -3.73 118.16 125.47 1doa n LYS 105 Ca -0.05 0.63 -0.35 0.00 -0.87 0.00 0.00 58.31 57.67 1doa n LYS 105 Cb 0.47 -2.20 0.09 0.00 0.02 0.00 0.00 35.03 33.40 1doa n LYS 105 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1doa s GLU 106 N -0.77 2.27 0.00 1.64 -1.05 -1.02 -3.65 118.70 116.13 1doa s GLU 106 Ca 0.66 1.90 0.00 0.00 -0.15 0.00 0.00 54.97 57.38 1doa s GLU 106 Cb -0.69 -1.83 0.00 0.00 -0.44 0.00 0.00 34.13 31.17 1doa s GLU 106 CO 0.53 -1.77 0.00 0.41 0.95 0.00 0.00 175.26 175.39 1doa n GLY 107 N 0.64 0.50 3.73 -3.83 0.00 -0.90 -4.93 105.19 100.39 1doa n GLY 107 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1doa n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1doa s VAL 108 N -1.69 4.50 0.31 1.61 -7.23 -1.24 -4.27 120.40 112.39 1doa s VAL 108 Ca 0.00 2.07 -0.29 0.00 -1.81 0.00 0.00 61.98 61.95 1doa s VAL 108 Cb 0.00 -4.32 -0.10 0.00 0.56 0.00 0.00 36.38 32.52 1doa s VAL 108 CO 0.00 0.31 1.16 -1.61 -0.31 0.00 0.00 175.10 174.65 1doa s GLU 109 N 0.01 4.50 0.34 4.82 2.02 -1.26 -1.44 118.70 127.70 1doa s GLU 109 Ca 0.47 1.91 -0.14 0.00 0.02 0.00 0.00 54.97 57.23 1doa s GLU 109 Cb -0.23 -3.10 0.03 0.00 0.10 0.00 0.00 34.13 30.93 1doa s GLU 109 CO 0.30 0.05 0.68 1.52 0.02 0.00 0.00 175.26 177.83 1doa s TYR 110 N -1.19 0.27 0.07 1.61 1.13 0.15 -4.83 117.35 114.56 1doa s TYR 110 Ca 0.47 -0.79 -0.22 0.00 -1.41 0.00 0.00 57.07 55.13 1doa s TYR 110 Cb -0.34 0.57 0.05 0.00 -1.10 0.00 0.00 41.96 41.15 1doa s TYR 110 CO 0.44 -1.36 0.52 -0.98 -2.51 0.00 0.00 175.55 171.66 1doa s ARG 111 N -2.94 1.08 -0.17 -3.49 1.70 -1.11 -0.64 118.95 113.38 1doa s ARG 111 Ca 0.18 -0.33 -0.08 0.00 -0.47 0.00 0.00 55.73 55.03 1doa s ARG 111 Cb -0.04 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 1doa s ARG 111 CO 0.12 -0.41 0.12 0.42 -1.08 0.00 0.00 175.30 174.46 1doa s ILE 112 N -2.83 5.28 -0.44 4.99 1.01 -1.26 -1.11 121.20 126.83 1doa s ILE 112 Ca -0.03 0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.67 1doa s ILE 112 Cb -0.00 -3.37 0.10 0.00 0.01 0.00 0.00 42.46 39.21 1doa s ILE 112 CO -0.05 0.50 0.30 -0.75 0.00 0.00 0.00 174.94 174.94 1doa s LYS 113 N -0.10 2.46 -0.02 2.79 2.20 0.10 -1.12 119.74 126.06 1doa s LYS 113 Ca 0.09 -1.67 -0.25 0.00 -0.36 0.00 0.00 55.97 53.79 1doa s LYS 113 Cb -0.12 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.34 1doa s LYS 113 CO 0.00 -1.10 0.75 0.42 -0.36 0.00 0.00 175.35 175.07 1doa s ILE 114 N 1.35 4.92 -0.32 5.43 1.01 0.19 -0.47 121.20 133.33 1doa s ILE 114 Ca 0.05 1.57 0.01 0.00 0.00 0.00 0.00 60.65 62.28 1doa s ILE 114 Cb -0.25 -4.09 0.10 0.00 0.01 0.00 0.00 42.46 38.23 1doa s ILE 114 CO -0.00 0.28 0.07 -0.44 0.00 0.00 0.00 174.94 174.85 1doa s SER 115 N 0.52 4.27 0.25 3.58 0.01 -0.28 -0.54 113.70 121.51 1doa s SER 115 Ca 0.39 -1.79 0.00 0.00 1.31 0.00 0.00 55.95 55.87 1doa s SER 115 Cb -0.19 -1.14 0.00 0.00 0.21 0.00 0.00 66.02 64.90 1doa s SER 115 CO 0.21 -0.39 0.03 2.22 0.41 0.00 0.00 173.24 175.71 1doa n PHE 116 N 4.63 0.31 -3.66 2.43 -1.74 -1.06 0.75 117.46 119.12 1doa n PHE 116 Ca -0.00 -1.19 -0.06 0.00 -0.56 0.00 0.00 57.45 55.64 1doa n PHE 116 Cb 0.42 -0.17 -0.07 0.00 1.52 0.00 0.00 39.48 41.18 1doa n PHE 116 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 1doa s ARG 117 N -2.91 0.48 0.00 3.97 3.52 -0.89 -1.59 118.95 121.53 1doa s ARG 117 Ca 0.02 1.19 -0.16 0.00 -0.13 0.00 0.00 55.73 56.65 1doa s ARG 117 Cb -0.00 0.46 -0.06 0.00 -1.56 0.00 0.00 34.95 33.80 1doa s ARG 117 CO 0.01 -0.21 0.46 0.08 -0.81 0.00 0.00 175.30 174.84 1doa s VAL 118 N 2.43 4.98 -0.07 7.11 1.01 -1.26 -1.69 120.40 132.90 1doa s VAL 118 Ca -0.06 0.95 -0.09 0.00 0.00 0.00 0.00 61.98 62.79 1doa s VAL 118 Cb -0.11 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1doa s VAL 118 CO -0.16 0.54 -0.18 0.59 0.00 0.00 0.00 175.10 175.89 1doa n ASN 119 N 2.05 1.25 -0.06 3.32 3.02 0.23 -2.88 115.26 122.21 1doa n ASN 119 Ca -0.12 0.20 -0.06 0.00 -0.03 0.00 0.00 54.58 54.57 1doa n ASN 119 Cb 0.52 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 39.13 1doa n ASN 119 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1doa n ARG 120 N -3.74 0.38 -0.41 3.52 3.00 -1.26 -4.47 116.66 113.69 1doa n ARG 120 Ca -0.07 0.15 0.00 0.00 -0.01 0.00 0.00 57.85 57.92 1doa n ARG 120 Cb 0.26 -1.16 0.00 0.00 0.00 0.00 0.00 32.46 31.56 1doa n ARG 120 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1doa n GLU 121 N -4.09 2.56 -3.50 5.56 -0.58 -1.26 -4.69 120.64 114.64 1doa n GLU 121 Ca -0.10 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.28 1doa n GLU 121 Cb 0.37 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.19 1doa n GLU 121 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1doa s ILE 122 N 1.36 5.01 -0.35 -3.67 1.01 -1.26 -3.78 121.20 119.51 1doa s ILE 122 Ca 0.00 0.68 -0.07 0.00 0.00 0.00 0.00 60.65 61.27 1doa s ILE 122 Cb 0.00 -3.69 0.05 0.00 0.01 0.00 0.00 42.46 38.82 1doa s ILE 122 CO 0.00 0.38 0.13 -0.69 0.00 0.00 0.00 174.94 174.76 1doa s VAL 123 N -1.30 3.82 -0.30 2.92 1.01 -0.97 -4.99 120.40 120.59 1doa s VAL 123 Ca 0.31 -1.21 -0.22 0.00 0.00 0.00 0.00 61.98 60.86 1doa s VAL 123 Cb -0.15 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 1doa s VAL 123 CO 0.17 -0.25 0.72 -0.55 0.00 0.00 0.00 175.10 175.19 1doa s SER 124 N 1.52 6.60 -1.31 3.32 0.15 -1.26 -1.60 113.70 121.12 1doa s SER 124 Ca -0.01 0.59 -0.02 0.00 0.70 0.00 0.00 55.95 57.21 1doa s SER 124 Cb -0.20 -2.38 -0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1doa s SER 124 CO 0.02 -0.55 0.64 0.61 1.20 0.00 0.00 173.24 175.16 1doa n GLY 125 N 4.27 -0.37 3.74 9.45 0.00 -1.25 -1.67 105.19 119.35 1doa n GLY 125 Ca 0.02 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1doa n GLY 125 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1doa s MET 126 N -6.08 4.28 0.16 1.61 0.00 -0.78 -3.76 119.30 114.73 1doa s MET 126 Ca 0.07 2.26 0.05 0.00 0.00 0.00 0.00 55.69 58.07 1doa s MET 126 Cb -0.02 -3.13 -0.04 0.00 0.00 0.00 0.00 34.83 31.63 1doa s MET 126 CO 0.83 -0.42 -0.11 -1.59 0.00 0.00 0.00 175.02 173.73 1doa s LYS 127 N -0.07 1.11 -0.27 4.11 -2.85 -1.07 -0.47 119.74 120.23 1doa s LYS 127 Ca 0.61 -1.46 -0.01 0.00 -1.00 0.00 0.00 55.97 54.10 1doa s LYS 127 Cb -0.41 -0.74 0.04 0.00 -2.06 0.00 0.00 37.83 34.66 1doa s LYS 127 CO 0.40 0.10 -0.04 -0.47 0.10 0.00 0.00 175.35 175.45 1doa s TYR 128 N -3.17 3.18 -0.21 1.78 5.04 -0.33 -2.82 117.35 120.82 1doa s TYR 128 Ca 0.17 -1.77 -0.09 0.00 -2.44 0.00 0.00 57.07 52.94 1doa s TYR 128 Cb 0.01 -2.07 -0.04 0.00 0.35 0.00 0.00 41.96 40.21 1doa s TYR 128 CO 0.02 -0.78 0.11 0.42 -1.34 0.00 0.00 175.55 173.98 1doa s ILE 129 N 1.27 5.03 -0.11 3.14 1.01 -0.90 -1.51 121.20 129.14 1doa s ILE 129 Ca -0.03 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.71 1doa s ILE 129 Cb -0.18 -3.31 0.01 0.00 0.01 0.00 0.00 42.46 38.98 1doa s ILE 129 CO -0.03 0.40 -0.20 -1.58 0.00 0.00 0.00 174.94 173.54 1doa s GLN 130 N 0.74 2.66 -0.23 2.79 0.74 -0.55 -2.42 119.66 123.39 1doa s GLN 130 Ca 0.06 -0.73 -0.02 0.00 0.05 0.00 0.00 55.36 54.72 1doa s GLN 130 Cb -0.13 -2.13 0.01 0.00 1.10 0.00 0.00 33.01 31.86 1doa s GLN 130 CO 0.02 0.03 -0.07 -1.01 -0.55 0.00 0.00 175.29 173.70 1doa s HIS 131 N 0.72 2.99 -0.33 1.67 3.76 0.14 -2.12 115.29 122.11 1doa s HIS 131 Ca -0.11 -1.36 -0.15 0.00 -0.15 0.00 0.00 55.06 53.30 1doa s HIS 131 Cb -0.16 -2.06 -0.02 0.00 1.11 0.00 0.00 32.58 31.46 1doa s HIS 131 CO 0.02 -0.68 0.34 0.99 -0.85 0.00 0.00 174.74 174.56 1doa s THR 132 N 1.37 5.19 -0.05 1.30 2.01 -0.95 -1.63 115.64 122.88 1doa s THR 132 Ca 0.03 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1doa s THR 132 Cb -0.15 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 1doa s THR 132 CO -0.05 -0.04 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.50 1doa s TYR 133 N 1.98 3.06 -0.16 4.92 1.51 0.42 -1.55 117.35 127.53 1doa s TYR 133 Ca 0.11 0.11 -0.02 0.00 -1.01 0.00 0.00 57.07 56.25 1doa s TYR 133 Cb -0.17 -1.72 0.05 0.00 -0.11 0.00 0.00 41.96 40.01 1doa s TYR 133 CO 0.11 0.43 0.02 0.50 -1.11 0.00 0.00 175.55 175.50 1doa s ARG 134 N -1.10 0.68 -1.40 -0.62 6.06 -0.37 -0.73 118.95 121.47 1doa s ARG 134 Ca 0.15 -0.28 -0.02 0.00 -2.50 0.00 0.00 55.73 53.08 1doa s ARG 134 Cb -0.11 -1.81 0.00 0.00 0.06 0.00 0.00 34.95 33.09 1doa s ARG 134 CO 0.05 -0.54 0.26 1.63 -2.50 0.00 0.00 175.30 174.20 1doa n LYS 135 N 5.07 -2.77 -0.64 5.12 5.02 -1.26 -2.05 118.16 126.64 1doa n LYS 135 Ca -0.09 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1doa n LYS 135 Cb 0.48 -5.32 0.00 0.00 -0.02 0.00 0.00 35.03 30.16 1doa n LYS 135 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1doa n GLY 136 N -1.21 1.23 3.69 0.72 0.00 -1.26 -5.03 105.19 103.34 1doa n GLY 136 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 1doa n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1doa s VAL 137 N -3.45 5.38 -0.48 1.61 1.01 -0.87 -5.04 120.40 118.55 1doa s VAL 137 Ca 0.00 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.90 1doa s VAL 137 Cb 0.00 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.90 1doa s VAL 137 CO 0.00 0.38 1.36 -1.59 0.00 0.00 0.00 175.10 175.26 1doa s LYS 138 N 0.75 3.50 0.00 2.72 0.00 -1.26 -1.24 119.74 124.21 1doa s LYS 138 Ca 0.08 0.69 0.14 0.00 0.00 0.00 0.00 55.97 56.87 1doa s LYS 138 Cb -0.12 -4.04 0.24 0.00 0.00 0.00 0.00 37.83 33.90 1doa s LYS 138 CO 0.02 -1.67 1.12 0.44 0.00 0.00 0.00 175.35 175.25 1doa n ILE 139 N 6.96 0.46 -3.63 3.79 -5.35 -0.60 -4.95 119.36 116.05 1doa n ILE 139 Ca 0.14 -0.73 -0.04 0.00 -0.27 0.00 0.00 62.75 61.84 1doa n ILE 139 Cb 0.49 0.92 -0.07 0.00 -1.74 0.00 0.00 39.64 39.24 1doa n ILE 139 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1doa s ASP 140 N -1.09 -0.77 -0.14 7.28 2.15 -1.22 -4.60 116.67 118.29 1doa s ASP 140 Ca 0.22 1.22 -0.00 0.00 0.43 0.00 0.00 52.55 54.42 1doa s ASP 140 Cb 0.13 1.38 -0.01 0.00 -0.30 0.00 0.00 42.92 44.12 1doa s ASP 140 CO 0.18 -0.19 -0.14 -0.54 -0.17 0.00 0.00 175.17 174.32 1doa s LYS 141 N 1.63 3.34 -0.04 4.34 1.02 -1.26 -2.24 119.74 126.53 1doa s LYS 141 Ca -0.09 -0.70 -0.02 0.00 0.02 0.00 0.00 55.97 55.18 1doa s LYS 141 Cb -0.05 -2.63 0.03 0.00 -0.52 0.00 0.00 37.83 34.66 1doa s LYS 141 CO -0.18 0.17 0.09 0.99 -0.92 0.00 0.00 175.35 175.50 1doa s THR 142 N 0.46 -0.05 -0.15 2.17 2.01 -0.90 -4.92 115.64 114.25 1doa s THR 142 Ca -0.10 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.08 1doa s THR 142 Cb -0.16 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.20 1doa s THR 142 CO 0.05 0.07 -0.19 -1.81 -0.69 0.00 0.00 174.62 172.05 1doa s ASP 143 N 0.97 3.36 -0.38 3.53 1.11 -1.26 -1.49 116.67 122.51 1doa s ASP 143 Ca -0.08 -0.55 -0.00 0.00 0.18 0.00 0.00 52.55 52.09 1doa s ASP 143 Cb -0.10 -1.51 0.10 0.00 1.07 0.00 0.00 42.92 42.48 1doa s ASP 143 CO -0.04 0.07 0.14 -0.31 1.18 0.00 0.00 175.17 176.20 1doa s TYR 144 N 0.91 3.62 0.12 4.23 2.02 -0.57 -4.98 117.35 122.71 1doa s TYR 144 Ca -0.04 -2.57 -0.31 0.00 -0.37 0.00 0.00 57.07 53.78 1doa s TYR 144 Cb -0.15 -3.04 -0.08 0.00 -0.40 0.00 0.00 41.96 38.29 1doa s TYR 144 CO -0.03 -0.95 1.32 1.41 -1.57 0.00 0.00 175.55 175.73 1doa s MET 145 N 1.07 4.37 -0.16 -0.62 -2.45 -1.26 -1.19 119.30 119.05 1doa s MET 145 Ca 0.08 1.99 0.13 0.00 -1.25 0.00 0.00 55.69 56.64 1doa s MET 145 Cb -0.21 -3.26 -0.19 0.00 1.25 0.00 0.00 34.83 32.42 1doa s MET 145 CO -0.05 -0.34 0.03 0.28 1.05 0.00 0.00 175.02 175.99 1doa n VAL 146 N 3.63 1.09 -0.06 10.11 0.31 0.38 -4.97 118.33 128.83 1doa n VAL 146 Ca 0.10 -0.65 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 1doa n VAL 146 Cb 0.43 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 1doa n VAL 146 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1doa n GLY 147 N 2.08 -3.52 3.83 2.92 0.00 -0.92 -4.91 105.19 104.67 1doa n GLY 147 Ca -0.27 -2.07 -0.37 0.00 0.00 0.00 0.00 46.02 43.30 1doa n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1doa s SER 148 N -1.28 6.90 0.06 1.61 0.01 -1.26 -1.87 113.70 117.87 1doa s SER 148 Ca 0.00 1.09 -0.00 0.00 1.31 0.00 0.00 55.95 58.35 1doa s SER 148 Cb 0.00 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 1doa s SER 148 CO 0.00 0.24 -0.04 -0.31 0.41 0.00 0.00 173.24 173.54 1doa s TYR 149 N -1.21 0.57 0.30 2.43 1.51 -0.63 -4.90 117.35 115.42 1doa s TYR 149 Ca 0.30 -0.93 0.07 0.00 -1.01 0.00 0.00 57.07 55.49 1doa s TYR 149 Cb -0.17 -0.39 -0.03 0.00 -0.11 0.00 0.00 41.96 41.26 1doa s TYR 149 CO 0.17 -0.29 0.29 0.20 -1.11 0.00 0.00 175.55 174.81 1doa s GLY 150 N -2.68 1.60 0.40 0.71 0.00 -1.26 -2.29 107.32 103.79 1doa s GLY 150 Ca 0.04 -1.52 -0.26 0.00 0.00 0.00 0.00 44.72 42.98 1doa s GLY 150 CO -0.07 -1.49 1.23 -4.14 0.00 0.00 0.00 173.10 168.63 1doa s PRO 151 N -3.97 4.04 0.03 2.90 0.02 -1.25 -4.71 135.00 132.06 1doa s PRO 151 Ca 0.38 1.98 -0.28 0.00 0.02 0.00 0.00 61.00 63.10 1doa s PRO 151 Cb -0.07 -2.74 0.09 0.00 0.02 0.00 0.00 34.50 31.81 1doa s PRO 151 CO 0.27 -0.38 0.97 -0.98 -0.33 0.00 0.00 177.00 176.55 1doa s ARG 152 N -2.23 0.86 0.00 5.54 1.70 -1.14 -4.95 118.95 118.73 1doa s ARG 152 Ca 0.56 -0.39 -0.21 0.00 -0.47 0.00 0.00 55.73 55.22 1doa s ARG 152 Cb -0.34 0.35 -0.19 0.00 -0.57 0.00 0.00 34.95 34.19 1doa s ARG 152 CO 0.43 -0.38 1.19 0.00 -1.08 0.00 0.00 175.30 175.46 1doa h ALA 153 N 2.00 0.13 -2.74 7.88 0.00 -1.86 -3.43 119.26 121.25 1doa h ALA 153 Ca -0.22 -0.43 -0.51 0.00 0.00 0.00 0.00 54.91 53.76 1doa h ALA 153 Cb 1.23 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1doa h ALA 153 CO 0.28 0.16 0.45 -2.00 0.00 0.00 0.00 179.25 178.14 1doa s GLU 154 N -3.69 4.66 0.61 0.00 2.12 -1.26 -5.03 118.70 116.12 1doa s GLU 154 Ca -0.14 1.71 -0.16 0.00 0.36 0.00 0.00 54.97 56.74 1doa s GLU 154 Cb 0.03 -3.24 -0.03 0.00 0.26 0.00 0.00 34.13 31.16 1doa s GLU 154 CO 0.77 0.21 1.09 -1.83 -0.54 0.00 0.00 175.26 174.96 1doa s GLU 155 N -0.98 3.11 0.17 4.30 -1.05 -1.26 -4.88 118.70 118.11 1doa s GLU 155 Ca 0.46 1.37 -0.01 0.00 -0.15 0.00 0.00 54.97 56.64 1doa s GLU 155 Cb -0.30 -1.99 -0.04 0.00 -0.44 0.00 0.00 34.13 31.36 1doa s GLU 155 CO 0.37 -1.00 0.35 0.71 0.95 0.00 0.00 175.26 176.64 1doa s TYR 156 N -2.25 3.49 -0.32 4.83 2.02 -0.62 -4.99 117.35 119.50 1doa s TYR 156 Ca 0.67 0.31 -0.02 0.00 -0.37 0.00 0.00 57.07 57.66 1doa s TYR 156 Cb -0.19 -1.83 0.11 0.00 -0.40 0.00 0.00 41.96 39.65 1doa s TYR 156 CO 0.36 0.43 0.14 -1.21 -1.57 0.00 0.00 175.55 173.70 1doa s GLU 157 N -3.14 0.50 -0.03 -0.62 2.02 -1.26 -2.57 118.70 113.60 1doa s GLU 157 Ca 0.38 -0.94 -0.13 0.00 0.02 0.00 0.00 54.97 54.31 1doa s GLU 157 Cb -0.11 -1.55 -0.05 0.00 0.10 0.00 0.00 34.13 32.51 1doa s GLU 157 CO 0.28 -1.04 0.33 0.12 0.02 0.00 0.00 175.26 174.97 1doa s PHE 158 N 1.66 3.69 -0.09 1.61 5.36 0.29 -4.90 117.98 125.62 1doa s PHE 158 Ca 0.11 0.86 0.04 0.00 -0.96 0.00 0.00 56.93 56.98 1doa s PHE 158 Cb -0.18 -2.19 -0.01 0.00 -0.34 0.00 0.00 43.02 40.30 1doa s PHE 158 CO -0.25 0.67 -0.21 -0.51 -1.46 0.00 0.00 175.22 173.46 1doa s LEU 159 N -1.07 2.27 0.60 6.12 1.43 -1.26 0.58 118.68 127.35 1doa s LEU 159 Ca 0.21 -0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 52.76 1doa s LEU 159 Cb -0.15 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 1doa s LEU 159 CO 0.11 0.21 0.96 0.42 0.23 0.00 0.00 176.35 178.27 1doa s THR 160 N 0.08 4.25 0.90 5.49 -4.23 -0.27 -4.97 115.64 116.90 1doa s THR 160 Ca -0.10 0.43 -0.10 0.00 -1.18 0.00 0.00 61.69 60.74 1doa s THR 160 Cb -0.15 -3.69 0.14 0.00 1.34 0.00 0.00 72.50 70.13 1doa s THR 160 CO 0.06 -0.81 1.12 -2.84 -0.54 0.00 0.00 174.62 171.61 1doa s PRO 161 N -5.07 1.13 0.11 3.99 0.02 -1.26 -4.41 135.00 129.51 1doa s PRO 161 Ca 0.54 1.37 -0.31 0.00 0.02 0.00 0.00 61.00 62.61 1doa s PRO 161 Cb -0.11 -1.75 -0.08 0.00 0.02 0.00 0.00 34.50 32.58 1doa s PRO 161 CO 0.49 -2.49 1.43 1.41 -0.33 0.00 0.00 177.00 177.51 1doa s MET 162 N -4.71 4.29 0.13 5.54 1.75 -1.26 -4.62 119.30 120.43 1doa s MET 162 Ca 0.65 2.13 0.05 0.00 -1.25 0.00 0.00 55.69 57.28 1doa s MET 162 Cb -0.21 -3.27 -0.04 0.00 2.84 0.00 0.00 34.83 34.15 1doa s MET 162 CO 0.58 -0.49 -0.13 -1.21 -0.65 0.00 0.00 175.02 173.13 1doa s GLU 163 N 1.26 1.03 0.09 4.11 2.02 0.19 -4.92 118.70 122.48 1doa s GLU 163 Ca 0.66 -1.30 -0.01 0.00 0.02 0.00 0.00 54.97 54.33 1doa s GLU 163 Cb -0.38 -0.80 -0.04 0.00 0.10 0.00 0.00 34.13 33.00 1doa s GLU 163 CO 0.30 0.14 0.27 -1.21 0.02 0.00 0.00 175.26 174.78 1doa s GLU 164 N -3.01 3.49 0.26 1.61 2.02 -1.26 0.34 118.70 122.14 1doa s GLU 164 Ca 0.11 -0.34 -0.13 0.00 0.02 0.00 0.00 54.97 54.63 1doa s GLU 164 Cb -0.03 -2.98 -0.08 0.00 0.10 0.00 0.00 34.13 31.15 1doa s GLU 164 CO 0.02 0.56 0.64 0.00 0.02 0.00 0.00 175.26 176.50 1doa s ALA 165 N -1.57 3.46 0.69 5.21 0.00 -0.52 -4.94 121.76 124.08 1doa s ALA 165 Ca 0.37 -0.09 -0.15 0.00 0.00 0.00 0.00 51.96 52.08 1doa s ALA 165 Cb -0.13 -2.61 0.02 0.00 0.00 0.00 0.00 23.12 20.40 1doa s ALA 165 CO 0.27 0.42 1.15 -2.14 0.00 0.00 0.00 175.76 175.46 1doa s PRO 166 N -2.71 2.53 -0.23 0.00 0.02 -1.26 -2.14 135.00 131.21 1doa s PRO 166 Ca 0.49 1.55 -0.25 0.00 0.02 0.00 0.00 61.00 62.81 1doa s PRO 166 Cb -0.12 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.49 1doa s PRO 166 CO 0.19 -1.49 0.83 0.15 -0.33 0.00 0.00 177.00 176.36 1doa s LYS 167 N -3.99 4.21 0.00 5.54 1.02 -1.26 -2.13 119.74 123.13 1doa s LYS 167 Ca 0.70 0.97 0.07 0.00 0.02 0.00 0.00 55.97 57.73 1doa s LYS 167 Cb -0.24 -3.63 0.32 0.00 -0.52 0.00 0.00 37.83 33.76 1doa s LYS 167 CO 0.43 -0.48 1.20 0.41 -0.92 0.00 0.00 175.35 175.99 1doa n GLY 168 N 3.68 -0.70 0.44 -3.33 0.00 -1.26 -3.74 105.19 100.27 1doa n GLY 168 Ca 0.05 -0.03 0.22 0.00 0.00 0.00 0.00 46.02 46.27 1doa n GLY 168 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1doa h MET 169 N 0.00 0.00 0.00 1.61 2.86 -1.98 -3.33 114.93 114.09 1doa h MET 169 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1doa h MET 169 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1doa h MET 169 CO 0.00 0.00 0.00 -0.11 1.06 0.00 0.00 176.91 177.86 1doa n LEU 170 N -3.40 0.00 -4.56 1.22 7.94 -1.25 -4.97 117.00 111.98 1doa n LEU 170 Ca 0.12 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.70 1doa n LEU 170 Cb 0.98 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.89 1doa n LEU 170 CO 0.23 0.00 1.46 0.00 -1.11 0.00 0.00 177.39 177.97 1doa s ALA 171 N -2.00 2.12 -0.12 1.96 0.00 -1.26 -4.59 121.76 117.88 1doa s ALA 171 Ca 0.00 -1.93 0.14 0.00 0.00 0.00 0.00 51.96 50.17 1doa s ALA 171 Cb 0.00 -4.57 0.30 0.00 0.00 0.00 0.00 23.12 18.85 1doa s ALA 171 CO 0.00 -4.40 1.15 -2.13 0.00 0.00 0.00 175.76 170.38 1doa n ARG 172 N 8.75 1.00 0.00 0.00 0.63 -1.25 -4.35 116.66 121.44 1doa n ARG 172 Ca 0.39 -2.47 0.00 0.00 -0.92 0.00 0.00 57.85 54.85 1doa n ARG 172 Cb 0.48 -1.18 0.00 0.00 0.45 0.00 0.00 32.46 32.21 1doa n ARG 172 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1doa n GLY 173 N -0.86 -0.15 3.37 5.14 0.00 -1.26 -4.22 105.19 107.21 1doa n GLY 173 Ca 0.13 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 1doa n GLY 173 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1doa s SER 174 N -1.00 3.90 0.13 1.61 0.01 -1.26 -1.73 113.70 115.35 1doa s SER 174 Ca 0.00 -0.33 0.09 0.00 1.31 0.00 0.00 55.95 57.02 1doa s SER 174 Cb 0.00 -1.43 -0.04 0.00 0.21 0.00 0.00 66.02 64.76 1doa s SER 174 CO 0.00 0.20 -0.17 -0.31 0.41 0.00 0.00 173.24 173.37 1doa s TYR 175 N 0.14 2.54 -0.27 2.43 1.51 0.23 -4.68 117.35 119.27 1doa s TYR 175 Ca -0.08 -0.26 -0.13 0.00 -1.01 0.00 0.00 57.07 55.60 1doa s TYR 175 Cb -0.15 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.32 1doa s TYR 175 CO 0.05 0.41 0.26 1.21 -1.11 0.00 0.00 175.55 176.37 1doa s ASN 176 N -2.24 6.14 -0.17 2.29 3.04 0.09 -0.87 114.94 123.22 1doa s ASN 176 Ca 0.19 0.14 -0.03 0.00 0.04 0.00 0.00 52.86 53.20 1doa s ASN 176 Cb -0.10 -2.16 -0.02 0.00 -1.54 0.00 0.00 41.25 37.43 1doa s ASN 176 CO 0.11 -0.09 -0.07 -0.63 -3.04 0.00 0.00 177.10 173.38 1doa s ILE 177 N 1.77 3.45 -0.13 -5.21 1.01 0.27 -0.44 121.20 121.91 1doa s ILE 177 Ca 0.11 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 1doa s ILE 177 Cb -0.16 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 1doa s ILE 177 CO 0.10 0.48 -0.07 -0.54 0.00 0.00 0.00 174.94 174.91 1doa s LYS 178 N 0.68 3.44 0.04 2.79 1.02 -0.65 -0.70 119.74 126.35 1doa s LYS 178 Ca -0.04 -0.57 -0.01 0.00 0.02 0.00 0.00 55.97 55.38 1doa s LYS 178 Cb -0.15 -2.78 -0.03 0.00 -0.52 0.00 0.00 37.83 34.34 1doa s LYS 178 CO 0.02 0.31 -0.03 -1.12 -0.92 0.00 0.00 175.35 173.62 1doa s SER 179 N 0.14 0.41 0.04 2.83 0.01 -0.40 -0.68 113.70 116.05 1doa s SER 179 Ca -0.03 -0.83 -0.27 0.00 1.31 0.00 0.00 55.95 56.13 1doa s SER 179 Cb -0.14 0.17 0.07 0.00 0.21 0.00 0.00 66.02 66.32 1doa s SER 179 CO 0.03 -0.50 0.62 0.00 0.41 0.00 0.00 173.24 173.81 1doa s ARG 180 N -3.09 1.14 -0.30 12.44 1.70 -1.01 -1.08 118.95 128.74 1doa s ARG 180 Ca -0.01 -0.09 -0.00 0.00 -0.47 0.00 0.00 55.73 55.16 1doa s ARG 180 Cb 0.02 0.53 0.06 0.00 -0.57 0.00 0.00 34.95 34.99 1doa s ARG 180 CO -0.07 -0.42 -0.02 -0.06 -1.08 0.00 0.00 175.30 173.65 1doa s PHE 181 N -2.34 3.31 0.00 5.89 0.40 -0.33 -2.11 117.98 122.79 1doa s PHE 181 Ca -0.06 -2.09 0.00 0.00 -0.60 0.00 0.00 56.93 54.19 1doa s PHE 181 Cb -0.00 -2.16 0.00 0.00 0.51 0.00 0.00 43.02 41.37 1doa s PHE 181 CO -0.00 -0.84 0.00 -2.37 0.70 0.00 0.00 175.22 172.70 1doa n THR 182 N 4.55 0.00 -3.54 0.64 5.66 -1.13 -0.80 114.28 119.66 1doa n THR 182 Ca -0.12 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.87 1doa n THR 182 Cb 0.43 -0.08 0.00 0.00 -1.55 0.00 0.00 70.33 69.13 1doa n THR 182 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1doa n ASP 183 N 0.00 -0.41 0.21 1.09 5.68 -1.23 -2.59 116.55 119.31 1doa n ASP 183 Ca 0.00 -1.21 0.15 0.00 -0.50 0.00 0.00 54.79 53.23 1doa n ASP 183 Cb 0.00 0.66 0.74 0.00 -1.14 0.00 0.00 41.12 41.39 1doa n ASP 183 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1doa h ASP 184 N 0.47 0.00 -0.65 -1.12 3.32 -1.41 -1.46 116.42 115.57 1doa h ASP 184 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1doa h ASP 184 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1doa h ASP 184 CO 0.09 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.08 1doa n ASP 185 N -2.55 3.85 0.00 6.45 10.43 -1.26 -4.82 116.55 128.65 1doa n ASP 185 Ca -0.01 -2.00 0.00 0.00 2.57 0.00 0.00 54.79 55.35 1doa n ASP 185 Cb 0.11 -0.43 0.00 0.00 1.84 0.00 0.00 41.12 42.64 1doa n ASP 185 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1doa n ARG 186 N 1.64 -0.09 -1.70 -1.24 1.74 -0.55 -4.94 116.66 111.52 1doa n ARG 186 Ca 0.23 0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.90 1doa n ARG 186 Cb 0.62 -3.93 -0.03 0.00 -1.02 0.00 0.00 32.46 28.10 1doa n ARG 186 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1doa n THR 187 N -2.02 0.22 -3.40 0.55 -1.04 -1.26 -4.78 114.28 102.55 1doa n THR 187 Ca 0.00 -0.06 -0.44 0.00 -2.04 0.00 0.00 64.05 61.51 1doa n THR 187 Cb 0.02 -1.81 -0.06 0.00 -1.82 0.00 0.00 70.33 66.66 1doa n THR 187 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1doa s ASP 188 N 0.93 6.01 0.12 8.00 -1.08 -1.26 -3.54 116.67 125.85 1doa s ASP 188 Ca 0.74 -1.81 -0.14 0.00 -0.52 0.00 0.00 52.55 50.83 1doa s ASP 188 Cb -0.57 -2.14 -0.04 0.00 -1.46 0.00 0.00 42.92 38.71 1doa s ASP 188 CO 0.38 -0.79 1.50 0.45 0.52 0.00 0.00 175.17 177.23 1doa h HIS 189 N 8.73 0.90 -2.90 -5.34 3.86 -1.32 -3.47 115.15 115.61 1doa h HIS 189 Ca -0.27 -0.22 -0.06 0.00 -1.16 0.00 0.00 60.37 58.67 1doa h HIS 189 Cb 1.09 -0.21 -0.15 0.00 1.06 0.00 0.00 27.41 29.20 1doa h HIS 189 CO 0.69 0.96 0.03 -1.17 0.86 0.00 0.00 177.93 179.30 1doa s LEU 190 N -9.15 -0.03 -0.27 2.43 2.96 -1.20 -4.98 118.68 108.45 1doa s LEU 190 Ca -0.12 0.07 -0.16 0.00 -0.22 0.00 0.00 54.13 53.71 1doa s LEU 190 Cb 0.10 2.11 0.08 0.00 0.50 0.00 0.00 46.19 48.98 1doa s LEU 190 CO 0.83 -0.76 0.66 -0.55 -1.32 0.00 0.00 176.35 175.21 1doa s SER 191 N -2.18 -0.89 0.31 3.68 0.15 -1.26 -1.19 113.70 112.33 1doa s SER 191 Ca -0.03 1.45 -0.18 0.00 0.70 0.00 0.00 55.95 57.88 1doa s SER 191 Cb -0.00 1.32 0.03 0.00 -1.71 0.00 0.00 66.02 65.66 1doa s SER 191 CO -0.04 -0.23 0.72 -1.66 1.20 0.00 0.00 173.24 173.22 1doa s TRP 192 N 1.56 -0.01 0.05 3.44 -2.14 -0.24 -5.00 118.94 116.60 1doa s TRP 192 Ca -0.10 -0.51 0.03 0.00 2.66 0.00 0.00 56.10 58.19 1doa s TRP 192 Cb -0.05 0.69 -0.03 0.00 -3.10 0.00 0.00 33.47 30.98 1doa s TRP 192 CO -0.18 -1.33 -0.10 -1.83 -2.66 0.00 0.00 176.95 170.84 1doa s GLU 193 N -3.37 0.66 0.20 3.25 1.03 -1.26 -1.28 118.70 117.93 1doa s GLU 193 Ca 0.14 -0.81 -0.17 0.00 0.03 0.00 0.00 54.97 54.16 1doa s GLU 193 Cb -0.05 -0.54 0.02 0.00 -0.80 0.00 0.00 34.13 32.77 1doa s GLU 193 CO 0.09 0.11 0.52 1.67 -1.33 0.00 0.00 175.26 176.33 1doa s TRP 194 N -1.26 -0.08 -0.09 4.83 1.48 0.12 -4.19 118.94 119.75 1doa s TRP 194 Ca -0.06 -0.27 0.03 0.00 -1.06 0.00 0.00 56.10 54.73 1doa s TRP 194 Cb -0.10 0.38 -0.02 0.00 -1.16 0.00 0.00 33.47 32.58 1doa s TRP 194 CO 0.01 -0.93 -0.17 -0.80 -4.06 0.00 0.00 176.95 171.00 1doa s ASN 195 N -2.89 3.71 0.16 -2.66 0.01 -1.20 0.94 114.94 113.02 1doa s ASN 195 Ca 0.10 -0.35 0.10 0.00 -0.71 0.00 0.00 52.86 52.00 1doa s ASN 195 Cb -0.01 -1.20 -0.04 0.00 0.41 0.00 0.00 41.25 40.41 1doa s ASN 195 CO -0.01 0.23 -0.21 -0.22 -1.51 0.00 0.00 177.10 175.38 1doa s LEU 196 N -0.07 2.55 -0.04 0.60 2.96 -0.05 -3.68 118.68 120.94 1doa s LEU 196 Ca -0.04 -0.74 -0.00 0.00 -0.22 0.00 0.00 54.13 53.13 1doa s LEU 196 Cb -0.14 -1.33 0.03 0.00 0.50 0.00 0.00 46.19 45.25 1doa s LEU 196 CO 0.04 0.14 0.01 -0.89 -1.32 0.00 0.00 176.35 174.33 1doa s THR 197 N -1.45 0.21 0.26 3.68 2.01 0.12 0.78 115.64 121.25 1doa s THR 197 Ca 0.19 0.13 -0.08 0.00 0.31 0.00 0.00 61.69 62.24 1doa s THR 197 Cb -0.09 -0.33 -0.07 0.00 0.01 0.00 0.00 72.50 72.02 1doa s THR 197 CO 0.10 0.18 0.57 -0.63 -0.69 0.00 0.00 174.62 174.15 1doa s ILE 198 N 1.38 4.94 0.32 1.82 -1.09 -0.71 -1.20 121.20 126.67 1doa s ILE 198 Ca -0.05 0.37 -0.06 0.00 -2.23 0.00 0.00 60.65 58.68 1doa s ILE 198 Cb -0.13 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.10 1doa s ILE 198 CO -0.02 -0.18 0.50 -0.54 -1.23 0.00 0.00 174.94 173.47 1doa s LYS 199 N -3.10 1.85 0.21 2.79 1.02 -1.24 -4.47 119.74 116.79 1doa s LYS 199 Ca 0.47 -1.61 0.20 0.00 0.02 0.00 0.00 55.97 55.04 1doa s LYS 199 Cb -0.11 0.46 0.02 0.00 -0.52 0.00 0.00 37.83 37.69 1doa s LYS 199 CO 0.24 -0.78 1.13 -0.22 -0.92 0.00 0.00 175.35 174.81 1doa h LYS 200 N 2.14 0.00 -4.81 1.68 3.64 -1.93 -2.70 116.57 114.60 1doa h LYS 200 Ca -0.28 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 58.82 1doa h LYS 200 Cb 1.24 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.90 1doa h LYS 200 CO 0.39 0.16 -0.72 -2.00 -2.27 0.00 0.00 179.45 175.01 1doa s GLU 201 N -3.15 0.83 -0.24 1.90 2.56 -1.26 -4.72 118.70 114.62 1doa s GLU 201 Ca 0.01 -1.22 -0.29 0.00 0.00 0.00 0.00 54.97 53.47 1doa s GLU 201 Cb 0.08 -0.39 -0.01 0.00 2.00 0.00 0.00 34.13 35.82 1doa s GLU 201 CO 0.77 0.04 1.34 -1.58 -0.56 0.00 0.00 175.26 175.27 1doa s TRP 202 N -2.89 2.64 -1.04 5.30 0.23 -1.26 -3.80 118.94 118.12 1doa s TRP 202 Ca 0.08 0.85 -0.11 0.00 -2.03 0.00 0.00 56.10 54.89 1doa s TRP 202 Cb 0.00 -3.79 -0.04 0.00 0.03 0.00 0.00 33.47 29.67 1doa s TRP 202 CO -0.02 -1.92 0.84 1.17 0.96 0.00 0.00 176.95 177.97 1doa n LYS 203 N 7.14 -1.71 0.00 4.98 4.81 -1.26 -5.09 118.16 127.04 1doa n LYS 203 Ca 0.15 0.78 0.14 0.00 -0.87 0.00 0.00 58.31 58.51 1doa n LYS 203 Cb 0.46 -5.03 0.55 0.00 0.02 0.00 0.00 35.03 31.04 1doa n LYS 203 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10