#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1doa s SER -1 N 0.00 6.27 0.64 1.61 1.04 -1.26 -5.03 113.70 116.97 1doa s SER -1 Ca 0.00 1.62 -0.17 0.00 0.48 0.00 0.00 55.95 57.88 1doa s SER -1 Cb 0.00 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.60 1doa s SER -1 CO 0.00 -0.83 1.19 -1.00 0.98 0.00 0.00 173.24 173.58 1doa s HIS 0 N -2.67 2.34 -0.07 5.02 4.02 -1.26 -4.95 115.29 117.72 1doa s HIS 0 Ca 0.60 1.54 -0.30 0.00 1.02 0.00 0.00 55.06 57.92 1doa s HIS 0 Cb -0.12 -3.43 -0.02 0.00 -1.02 0.00 0.00 32.58 27.99 1doa s HIS 0 CO 0.37 -2.22 1.04 1.41 1.02 0.00 0.00 174.74 176.36 1doa s MET 1 N -3.60 4.44 0.20 1.40 -2.45 -1.26 -5.02 119.30 113.01 1doa s MET 1 Ca 0.75 1.46 -0.16 0.00 -1.25 0.00 0.00 55.69 56.49 1doa s MET 1 Cb -0.28 -3.52 -0.08 0.00 1.25 0.00 0.00 34.83 32.21 1doa s MET 1 CO 0.37 -0.27 0.63 -1.14 1.05 0.00 0.00 175.02 175.66 1doa s GLN 2 N 1.77 4.05 -0.06 4.11 0.74 -1.26 -4.93 119.66 124.08 1doa s GLN 2 Ca 0.51 0.61 0.01 0.00 0.05 0.00 0.00 55.36 56.54 1doa s GLN 2 Cb -0.20 -2.83 -0.03 0.00 1.10 0.00 0.00 33.01 31.05 1doa s GLN 2 CO 0.21 0.40 -0.05 0.95 -0.55 0.00 0.00 175.29 176.25 1doa s THR 3 N -1.58 3.82 -0.20 -0.34 -4.23 -1.26 -1.72 115.64 110.12 1doa s THR 3 Ca 0.42 -0.49 -0.01 0.00 -1.18 0.00 0.00 61.69 60.44 1doa s THR 3 Cb -0.15 -2.59 0.02 0.00 1.34 0.00 0.00 72.50 71.12 1doa s THR 3 CO 0.20 0.56 -0.14 -0.63 -0.54 0.00 0.00 174.62 174.07 1doa s ILE 4 N -0.86 2.52 -0.46 2.99 -1.09 0.24 -4.94 121.20 119.60 1doa s ILE 4 Ca 0.14 -0.86 -0.19 0.00 -2.23 0.00 0.00 60.65 57.50 1doa s ILE 4 Cb -0.11 -2.13 0.04 0.00 -1.58 0.00 0.00 42.46 38.67 1doa s ILE 4 CO 0.03 0.44 0.57 -0.75 -1.23 0.00 0.00 174.94 174.00 1doa s LYS 5 N 1.34 3.17 -0.26 2.79 2.20 -1.26 -0.76 119.74 126.94 1doa s LYS 5 Ca 0.04 -0.67 -0.09 0.00 -0.36 0.00 0.00 55.97 54.89 1doa s LYS 5 Cb -0.14 -4.01 -0.03 0.00 -1.51 0.00 0.00 37.83 32.14 1doa s LYS 5 CO -0.09 -1.04 0.12 0.00 -0.36 0.00 0.00 175.35 173.98 1doa s VAL 7 N 1.67 3.40 -0.26 0.00 1.01 0.31 -1.57 120.40 124.96 1doa s VAL 7 Ca 0.06 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 1doa s VAL 7 Cb -0.16 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1doa s VAL 7 CO 0.06 0.47 0.20 -0.69 0.00 0.00 0.00 175.10 175.14 1doa s VAL 8 N 0.87 5.32 0.35 2.92 1.01 -0.52 0.06 120.40 130.41 1doa s VAL 8 Ca -0.02 0.22 0.09 0.00 0.00 0.00 0.00 61.98 62.27 1doa s VAL 8 Cb -0.15 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 1doa s VAL 8 CO 0.01 0.28 -0.06 0.68 0.00 0.00 0.00 175.10 176.01 1doa s VAL 9 N 1.51 2.33 0.00 2.92 -7.23 0.22 -3.70 120.40 116.45 1doa s VAL 9 Ca 0.08 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 1doa s VAL 9 Cb -0.15 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.08 1doa s VAL 9 CO 0.08 -0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 1doa n GLY 10 N -0.85 3.50 3.61 2.32 0.00 -1.26 -0.36 105.19 112.14 1doa n GLY 10 Ca -0.05 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 1doa n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1doa s ASP 11 N 0.00 1.79 0.64 1.61 1.01 -1.26 -4.36 116.67 116.10 1doa s ASP 11 Ca 0.00 1.13 -0.18 0.00 0.71 0.00 0.00 52.55 54.21 1doa s ASP 11 Cb 0.00 -1.75 -0.01 0.00 1.01 0.00 0.00 42.92 42.16 1doa s ASP 11 CO 0.00 -3.65 1.25 -0.83 0.21 0.00 0.00 175.17 172.16 1doa s GLY 12 N -3.32 2.74 0.00 0.21 0.00 -1.26 -3.11 107.32 102.58 1doa s GLY 12 Ca 0.67 1.09 0.00 0.00 0.00 0.00 0.00 44.72 46.48 1doa s GLY 12 CO 0.59 1.50 0.00 0.00 0.00 0.00 0.00 173.10 175.19 1doa n ALA 13 N -1.93 0.00 0.55 3.20 0.00 -1.26 -4.80 120.51 116.27 1doa n ALA 13 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.68 1doa n ALA 13 Cb 0.49 -1.16 0.39 0.00 0.00 0.00 0.00 19.45 19.17 1doa n ALA 13 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1doa n VAL 14 N -1.78 0.81 0.00 0.00 0.24 -1.18 -4.90 118.33 111.53 1doa n VAL 14 Ca 0.00 0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.49 1doa n VAL 14 Cb 0.25 -0.94 0.00 0.00 -1.47 0.00 0.00 33.84 31.68 1doa n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1doa n GLY 15 N 0.26 1.18 0.14 7.63 0.00 -1.26 -4.37 105.19 108.77 1doa n GLY 15 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1doa n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1doa h LYS 16 N 1.03 0.38 0.22 1.61 1.57 -1.90 -2.29 116.57 117.19 1doa h LYS 16 Ca 0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1doa h LYS 16 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1doa h LYS 16 CO 0.00 0.33 -0.11 1.15 -0.57 0.00 0.00 179.45 180.26 1doa h THR 17 N 0.33 0.85 -0.66 -0.16 2.02 -1.92 -2.98 112.91 110.39 1doa h THR 17 Ca 0.10 -0.46 0.03 0.00 0.77 0.00 0.00 66.41 66.85 1doa h THR 17 Cb 0.06 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1doa h THR 17 CO -0.02 0.10 0.44 0.00 0.37 0.00 0.00 175.52 176.41 1doa h LEU 19 N 0.80 0.36 0.09 0.00 6.46 -1.35 -0.71 115.31 120.96 1doa h LEU 19 Ca 0.26 -0.05 -0.29 0.00 -0.12 0.00 0.00 57.88 57.68 1doa h LEU 19 Cb 0.06 -0.09 0.03 0.00 -0.73 0.00 0.00 40.66 39.92 1doa h LEU 19 CO -0.07 0.40 -1.20 -0.07 -0.62 0.00 0.00 178.44 176.88 1doa h LEU 20 N 0.38 0.88 -0.40 2.25 3.38 -1.14 -2.27 115.31 118.40 1doa h LEU 20 Ca 0.09 -0.79 -0.18 0.00 0.09 0.00 0.00 57.88 57.09 1doa h LEU 20 Cb 0.22 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1doa h LEU 20 CO 0.00 1.59 -0.67 0.40 0.09 0.00 0.00 178.44 179.86 1doa h ILE 21 N 0.30 1.33 -0.46 1.22 2.04 -1.33 -1.42 117.51 119.19 1doa h ILE 21 Ca -0.17 -1.97 0.01 0.00 1.00 0.00 0.00 64.86 63.73 1doa h ILE 21 Cb 1.87 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 39.87 1doa h ILE 21 CO 0.23 0.61 0.29 -1.28 0.00 0.00 0.00 178.15 178.00 1doa h SER 22 N 0.40 0.50 0.12 1.72 0.87 -1.18 -1.05 113.55 114.92 1doa h SER 22 Ca -0.02 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.39 1doa h SER 22 Cb 1.24 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 1doa h SER 22 CO 0.12 0.36 -0.51 0.22 -0.53 0.00 0.00 176.83 176.49 1doa h TYR 23 N 0.60 0.54 0.00 2.24 3.20 -1.25 0.17 116.97 122.47 1doa h TYR 23 Ca 0.18 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1doa h TYR 23 Cb -0.04 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.13 1doa h TYR 23 CO -0.05 0.86 -0.69 0.25 -1.64 0.00 0.00 178.16 176.89 1doa n THR 24 N -3.96 0.04 0.00 1.81 -2.24 -0.55 -4.29 114.28 105.09 1doa n THR 24 Ca -0.02 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1doa n THR 24 Cb 0.57 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 1doa n THR 24 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1doa n THR 25 N -1.58 0.00 0.00 4.28 -2.24 -0.42 -5.01 114.28 109.30 1doa n THR 25 Ca 0.05 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1doa n THR 25 Cb 0.35 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1doa n THR 25 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1doa n ASN 26 N -1.14 0.00 -4.52 3.42 5.03 0.58 -4.98 115.26 113.65 1doa n ASN 26 Ca 0.00 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.07 1doa n ASN 26 Cb 0.00 -0.03 -0.12 0.00 -1.02 0.00 0.00 39.78 38.62 1doa n ASN 26 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1doa s LYS 27 N 0.00 3.73 0.45 3.52 2.20 -1.25 -4.93 119.74 123.46 1doa s LYS 27 Ca 0.00 -0.45 -0.25 0.00 -0.36 0.00 0.00 55.97 54.91 1doa s LYS 27 Cb 0.00 -3.56 -0.08 0.00 -1.51 0.00 0.00 37.83 32.68 1doa s LYS 27 CO 0.00 -0.24 1.39 0.34 -0.36 0.00 0.00 175.35 176.48 1doa n PHE 28 N 5.01 2.54 -2.10 4.03 7.35 -1.26 -4.39 117.46 128.64 1doa n PHE 28 Ca -0.14 0.45 -0.40 0.00 -0.76 0.00 0.00 57.45 56.60 1doa n PHE 28 Cb 0.51 -2.43 -0.03 0.00 0.35 0.00 0.00 39.48 37.88 1doa n PHE 28 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1doa s PRO 29 N -2.43 2.87 0.00 -7.13 0.02 -1.26 -4.90 135.00 122.16 1doa s PRO 29 Ca 0.62 0.69 0.00 0.00 0.02 0.00 0.00 61.00 62.33 1doa s PRO 29 Cb -0.46 -4.31 0.00 0.00 0.02 0.00 0.00 34.50 29.75 1doa s PRO 29 CO 0.57 -2.45 0.57 -1.13 -0.33 0.00 0.00 177.00 174.23 1doa n SER 30 N 11.74 0.00 0.00 2.53 3.41 -1.26 -4.74 113.62 125.30 1doa n SER 30 Ca 0.19 0.77 0.00 0.00 -0.26 0.00 0.00 58.87 59.57 1doa n SER 30 Cb 0.51 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1doa n SER 30 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1doa n GLU 31 N -1.92 0.00 -2.73 4.33 0.00 -1.26 -4.96 120.64 114.10 1doa n GLU 31 Ca 0.00 0.07 -0.40 0.00 0.00 0.00 0.00 57.16 56.83 1doa n GLU 31 Cb 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 31.44 30.85 1doa n GLU 31 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1doa s TYR 32 N -0.16 3.93 -0.22 4.31 5.04 -1.26 -5.06 117.35 123.93 1doa s TYR 32 Ca 0.00 1.88 -0.04 0.00 -2.44 0.00 0.00 57.07 56.47 1doa s TYR 32 Cb 0.00 -3.02 0.10 0.00 0.35 0.00 0.00 41.96 39.39 1doa s TYR 32 CO 0.00 0.33 0.24 0.08 -1.34 0.00 0.00 175.55 174.86 1doa s VAL 33 N -0.94 -0.34 0.83 3.14 1.01 -1.26 -4.79 120.40 118.05 1doa s VAL 33 Ca 0.42 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 1doa s VAL 33 Cb -0.26 -0.72 0.09 0.00 0.00 0.00 0.00 36.38 35.49 1doa s VAL 33 CO 0.32 -0.23 1.10 -2.84 0.00 0.00 0.00 175.10 173.45 1doa s PRO 34 N 2.34 1.74 0.05 2.72 0.02 -1.26 -4.96 135.00 135.64 1doa s PRO 34 Ca 0.08 1.15 -0.22 0.00 0.02 0.00 0.00 61.00 62.02 1doa s PRO 34 Cb -0.16 -1.84 -0.14 0.00 0.02 0.00 0.00 34.50 32.38 1doa s PRO 34 CO -0.15 -2.00 1.51 1.15 -0.33 0.00 0.00 177.00 177.18 1doa h THR 35 N -1.39 1.22 -3.46 0.99 2.02 -2.01 -3.44 112.91 106.85 1doa h THR 35 Ca -0.45 -0.69 -0.48 0.00 0.77 0.00 0.00 66.41 65.56 1doa h THR 35 Cb 1.25 1.51 -0.33 0.00 -1.74 0.00 0.00 68.15 68.84 1doa h THR 35 CO 0.50 0.20 -0.80 -0.69 0.37 0.00 0.00 175.52 175.10 1doa s VAL 36 N -5.13 0.94 0.14 3.16 1.01 -1.26 -4.82 120.40 114.43 1doa s VAL 36 Ca -0.14 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 1doa s VAL 36 Cb 0.05 -0.88 -0.07 0.00 0.00 0.00 0.00 36.38 35.49 1doa s VAL 36 CO 0.69 0.31 1.03 0.12 0.00 0.00 0.00 175.10 177.26 1doa s PHE 37 N 0.70 3.70 0.84 5.22 5.36 -1.26 -5.02 117.98 127.52 1doa s PHE 37 Ca -0.13 1.69 -0.12 0.00 -0.96 0.00 0.00 56.93 57.40 1doa s PHE 37 Cb -0.15 -3.17 0.10 0.00 -0.34 0.00 0.00 43.02 39.46 1doa s PHE 37 CO 0.03 -0.22 1.18 -0.51 -1.46 0.00 0.00 175.22 174.24 1doa s ASP 38 N 0.01 3.42 0.18 6.13 1.01 -1.26 -4.29 116.67 121.88 1doa s ASP 38 Ca 0.49 2.29 -0.32 0.00 0.71 0.00 0.00 52.55 55.72 1doa s ASP 38 Cb -0.26 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 40.98 1doa s ASP 38 CO 0.32 -2.78 1.63 0.20 0.21 0.00 0.00 175.17 174.76 1doa s ASN 39 N -2.36 6.50 0.01 0.27 0.02 -1.26 -4.82 114.94 113.30 1doa s ASN 39 Ca 0.71 2.72 -0.01 0.00 -1.02 0.00 0.00 52.86 55.25 1doa s ASN 39 Cb -0.26 -2.60 -0.01 0.00 0.02 0.00 0.00 41.25 38.40 1doa s ASN 39 CO 0.53 -0.88 0.01 -0.47 0.02 0.00 0.00 177.10 176.30 1doa s TYR 40 N 1.18 0.16 0.01 2.20 6.14 -1.09 -4.98 117.35 120.97 1doa s TYR 40 Ca 0.72 -0.33 0.07 0.00 0.64 0.00 0.00 57.07 58.17 1doa s TYR 40 Cb -0.46 -0.12 -0.02 0.00 0.42 0.00 0.00 41.96 41.77 1doa s TYR 40 CO 0.32 -0.17 -0.23 0.00 0.64 0.00 0.00 175.55 176.10 1doa s ALA 41 N -1.14 1.93 -0.05 3.97 0.00 -1.26 0.28 121.76 125.49 1doa s ALA 41 Ca -0.12 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 1doa s ALA 41 Cb -0.08 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.62 1doa s ALA 41 CO -0.00 0.46 0.11 0.08 0.00 0.00 0.00 175.76 176.41 1doa s VAL 42 N -0.63 -0.03 0.07 0.00 1.01 -0.50 -4.95 120.40 115.37 1doa s VAL 42 Ca 0.09 0.10 -0.31 0.00 0.00 0.00 0.00 61.98 61.87 1doa s VAL 42 Cb -0.09 -0.18 -0.06 0.00 0.00 0.00 0.00 36.38 36.05 1doa s VAL 42 CO 0.00 0.04 1.21 -0.89 0.00 0.00 0.00 175.10 175.46 1doa s THR 43 N 0.65 3.96 -0.06 3.92 2.01 -1.26 -0.65 115.64 124.21 1doa s THR 43 Ca -0.05 1.42 0.02 0.00 0.31 0.00 0.00 61.69 63.39 1doa s THR 43 Cb -0.07 -3.91 0.01 0.00 0.01 0.00 0.00 72.50 68.55 1doa s THR 43 CO -0.03 0.12 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.21 1doa s VAL 44 N 1.00 1.11 -0.20 3.82 1.01 0.15 -4.92 120.40 122.37 1doa s VAL 44 Ca 0.59 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.89 1doa s VAL 44 Cb -0.30 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1doa s VAL 44 CO 0.30 0.35 0.67 -0.32 0.00 0.00 0.00 175.10 176.10 1doa s MET 45 N 0.67 4.22 -0.03 2.72 1.75 -1.26 -1.89 119.30 125.47 1doa s MET 45 Ca -0.14 0.69 -0.01 0.00 -1.25 0.00 0.00 55.69 54.98 1doa s MET 45 Cb -0.16 -3.59 0.03 0.00 2.84 0.00 0.00 34.83 33.95 1doa s MET 45 CO 0.04 -0.29 0.06 0.42 -0.65 0.00 0.00 175.02 174.60 1doa s ILE 46 N 2.05 -0.05 -1.07 10.11 -1.09 -0.87 -4.85 121.20 125.44 1doa s ILE 46 Ca 0.30 0.18 -0.05 0.00 -2.23 0.00 0.00 60.65 58.86 1doa s ILE 46 Cb -0.16 -0.11 0.04 0.00 -1.58 0.00 0.00 42.46 40.65 1doa s ILE 46 CO 0.10 0.08 0.27 0.61 -1.23 0.00 0.00 174.94 174.77 1doa n GLY 47 N 4.06 -0.49 1.95 6.18 0.00 -1.26 -0.88 105.19 114.75 1doa n GLY 47 Ca -0.26 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1doa n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1doa n GLY 48 N -0.97 0.46 3.01 -0.02 0.00 -1.26 -5.05 105.19 101.36 1doa n GLY 48 Ca -0.06 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 1doa n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1doa s GLU 49 N -0.96 0.88 0.28 1.61 0.41 -0.06 -5.13 118.70 115.72 1doa s GLU 49 Ca 0.00 -0.32 -0.29 0.00 -0.41 0.00 0.00 54.97 53.95 1doa s GLU 49 Cb 0.00 -0.83 -0.10 0.00 -1.78 0.00 0.00 34.13 31.42 1doa s GLU 49 CO 0.00 0.15 1.22 -2.14 -0.49 0.00 0.00 175.26 174.00 1doa s PRO 50 N 0.01 4.48 -0.07 0.39 0.02 -1.26 -2.04 135.00 136.53 1doa s PRO 50 Ca -0.00 2.01 -0.05 0.00 0.02 0.00 0.00 61.00 62.98 1doa s PRO 50 Cb -0.06 -3.15 0.03 0.00 0.02 0.00 0.00 34.50 31.34 1doa s PRO 50 CO 0.00 -0.03 0.17 0.71 -0.33 0.00 0.00 177.00 177.52 1doa s TYR 51 N -0.90 -0.19 -0.50 6.54 1.51 -0.79 -4.41 117.35 118.60 1doa s TYR 51 Ca 0.48 0.50 -0.21 0.00 -1.01 0.00 0.00 57.07 56.83 1doa s TYR 51 Cb -0.36 0.01 0.04 0.00 -0.11 0.00 0.00 41.96 41.55 1doa s TYR 51 CO 0.45 -0.14 0.73 0.99 -1.11 0.00 0.00 175.55 176.47 1doa s THR 52 N 0.64 4.71 -0.39 -0.71 2.01 -0.70 0.29 115.64 121.49 1doa s THR 52 Ca -0.05 -0.09 -0.21 0.00 0.31 0.00 0.00 61.69 61.65 1doa s THR 52 Cb -0.06 -4.35 0.01 0.00 0.01 0.00 0.00 72.50 68.11 1doa s THR 52 CO -0.03 -0.85 0.67 -0.22 -0.69 0.00 0.00 174.62 173.50 1doa s LEU 53 N 3.09 4.31 -0.20 4.42 2.96 0.18 -0.59 118.68 132.85 1doa s LEU 53 Ca 0.22 -0.00 -0.16 0.00 -0.22 0.00 0.00 54.13 53.97 1doa s LEU 53 Cb -0.16 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 1doa s LEU 53 CO 0.16 -0.70 0.40 -0.83 -1.32 0.00 0.00 176.35 174.06 1doa s GLY 54 N 1.90 2.09 -0.17 7.98 0.00 0.06 -1.41 107.32 117.77 1doa s GLY 54 Ca 0.25 -0.52 -0.07 0.00 0.00 0.00 0.00 44.72 44.38 1doa s GLY 54 CO 0.17 0.81 0.06 1.08 0.00 0.00 0.00 173.10 175.23 1doa s LEU 55 N 1.30 3.86 -0.28 0.66 1.43 0.14 -1.33 118.68 124.46 1doa s LEU 55 Ca 0.19 0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1doa s LEU 55 Cb -0.15 -1.96 0.08 0.00 0.03 0.00 0.00 46.19 44.19 1doa s LEU 55 CO 0.08 0.22 0.05 -0.36 0.23 0.00 0.00 176.35 176.57 1doa s PHE 56 N 0.11 1.96 0.50 0.29 0.40 -0.61 -2.67 117.98 117.96 1doa s PHE 56 Ca 0.05 -1.73 -0.18 0.00 -0.60 0.00 0.00 56.93 54.47 1doa s PHE 56 Cb -0.12 -1.70 -0.08 0.00 0.51 0.00 0.00 43.02 41.62 1doa s PHE 56 CO 0.01 -0.82 0.99 0.34 0.70 0.00 0.00 175.22 176.44 1doa s ASP 57 N 1.53 6.58 0.19 1.36 3.68 -1.26 -1.44 116.67 127.31 1doa s ASP 57 Ca 0.05 1.68 0.07 0.00 2.13 0.00 0.00 52.55 56.48 1doa s ASP 57 Cb -0.18 -2.53 -0.04 0.00 -1.45 0.00 0.00 42.92 38.72 1doa s ASP 57 CO -0.16 -0.61 -0.14 0.42 0.13 0.00 0.00 175.17 174.80 1doa s THR 58 N -2.40 1.64 -0.84 1.71 -4.23 -1.24 -4.87 115.64 105.41 1doa s THR 58 Ca 0.61 -2.11 -0.14 0.00 -1.18 0.00 0.00 61.69 58.87 1doa s THR 58 Cb -0.11 -1.95 0.22 0.00 1.34 0.00 0.00 72.50 72.00 1doa s THR 58 CO 0.25 -0.57 0.78 0.00 -0.54 0.00 0.00 174.62 174.55 1doa s ALA 59 N -2.83 4.11 -2.00 3.99 0.00 -1.26 -4.90 121.76 118.87 1doa s ALA 59 Ca 0.20 -3.35 0.11 0.00 0.00 0.00 0.00 51.96 48.91 1doa s ALA 59 Cb -0.01 -3.51 0.64 0.00 0.00 0.00 0.00 23.12 20.24 1doa s ALA 59 CO 0.06 -2.27 1.06 0.41 0.00 0.00 0.00 175.76 175.02 1doa n GLY 60 N 3.90 -0.43 3.76 0.00 0.00 -1.26 -4.65 105.19 106.51 1doa n GLY 60 Ca 0.14 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1doa n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1doa s GLN 61 N -2.00 2.58 0.55 1.61 1.11 -1.26 -4.65 119.66 117.60 1doa s GLN 61 Ca 0.16 1.40 0.29 0.00 0.01 0.00 0.00 55.36 57.23 1doa s GLN 61 Cb 0.07 -1.92 1.61 0.00 -1.01 0.00 0.00 33.01 31.76 1doa s GLN 61 CO 0.12 -1.42 2.14 1.49 0.01 0.00 0.00 175.29 177.63 1doa h GLU 62 N -0.25 0.00 0.00 2.91 4.81 -2.02 -0.58 114.58 119.45 1doa h GLU 62 Ca -0.46 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1doa h GLU 62 Cb 1.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1doa h GLU 62 CO 0.53 0.08 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.38 1doa h ASP 63 N 0.00 0.00 -0.36 1.04 3.32 -1.94 -3.07 116.42 115.41 1doa h ASP 63 Ca -0.00 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 1doa h ASP 63 Cb 0.23 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.62 1doa h ASP 63 CO 0.01 0.06 -0.39 -1.22 -1.72 0.00 0.00 179.24 175.98 1doa n TYR 64 N -3.37 1.22 0.51 4.55 4.02 -0.22 -4.67 117.16 119.20 1doa n TYR 64 Ca -0.02 -1.80 0.12 0.00 -0.01 0.00 0.00 57.90 56.19 1doa n TYR 64 Cb 0.21 -0.41 0.46 0.00 -0.02 0.00 0.00 39.34 39.58 1doa n TYR 64 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1doa n ASP 65 N -1.01 0.69 -0.10 7.72 9.92 -1.16 -1.44 116.55 131.17 1doa n ASP 65 Ca 0.32 0.62 -0.11 0.00 -0.53 0.00 0.00 54.79 55.10 1doa n ASP 65 Cb 0.87 -0.79 -0.16 0.00 -0.64 0.00 0.00 41.12 40.41 1doa n ASP 65 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1doa n ARG 66 N -2.21 0.68 -0.02 -1.24 0.63 -1.26 -4.53 116.66 108.72 1doa n ARG 66 Ca 0.04 0.02 -0.19 0.00 -0.92 0.00 0.00 57.85 56.80 1doa n ARG 66 Cb 0.31 -1.53 -0.14 0.00 0.45 0.00 0.00 32.46 31.55 1doa n ARG 66 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1doa h LEU 67 N 0.00 0.24 -0.76 6.15 5.85 -1.85 -3.40 115.31 121.53 1doa h LEU 67 Ca -0.54 -0.89 0.15 0.00 0.84 0.00 0.00 57.88 57.44 1doa h LEU 67 Cb 2.20 -0.08 -0.14 0.00 0.37 0.00 0.00 40.66 43.01 1doa h LEU 67 CO 0.02 1.33 -0.18 -0.09 -0.34 0.00 0.00 178.44 179.17 1doa h ARG 68 N -0.64 0.00 0.00 1.25 2.43 -1.49 -0.68 114.38 115.25 1doa h ARG 68 Ca -0.16 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1doa h ARG 68 Cb 1.42 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1doa h ARG 68 CO 0.04 0.00 0.00 -2.30 -1.51 0.00 0.00 179.97 176.20 1doa n PRO 69 N -5.50 0.01 0.08 0.20 -0.02 -1.26 -2.32 135.00 126.20 1doa n PRO 69 Ca 0.11 0.43 0.08 0.00 -2.02 0.00 0.00 63.50 62.10 1doa n PRO 69 Cb 0.39 -1.50 0.38 0.00 -0.02 0.00 0.00 33.50 32.75 1doa n PRO 69 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1doa n LEU 70 N -1.47 0.35 0.01 2.45 4.32 -0.26 -1.50 117.00 120.90 1doa n LEU 70 Ca 0.01 0.62 0.11 0.00 -0.02 0.00 0.00 56.01 56.73 1doa n LEU 70 Cb 0.03 -0.61 -0.10 0.00 -1.62 0.00 0.00 43.42 41.11 1doa n LEU 70 CO 0.02 -0.58 -0.38 -1.54 -1.22 0.00 0.00 177.39 173.69 1doa n SER 71 N -1.93 0.42 -0.33 -1.43 3.41 -0.98 -4.55 113.62 108.24 1doa n SER 71 Ca 0.01 -0.24 -0.01 0.00 -0.26 0.00 0.00 58.87 58.37 1doa n SER 71 Cb 0.12 1.39 0.16 0.00 -0.26 0.00 0.00 64.21 65.63 1doa n SER 71 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1doa h TYR 72 N 0.00 1.16 -2.88 7.33 -1.99 -1.45 -3.43 116.97 115.70 1doa h TYR 72 Ca 0.00 0.03 -0.58 0.00 2.00 0.00 0.00 58.73 60.18 1doa h TYR 72 Cb 0.83 -0.39 0.10 0.00 2.00 0.00 0.00 36.73 39.27 1doa h TYR 72 CO 0.00 0.71 0.50 -2.30 -0.00 0.00 0.00 178.16 177.07 1doa n PRO 73 N -4.41 1.96 -0.92 4.88 -0.02 -1.26 -1.73 135.00 133.50 1doa n PRO 73 Ca 0.11 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1doa n PRO 73 Cb 0.04 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1doa n PRO 73 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1doa n GLN 74 N 1.27 -0.27 -1.79 -0.52 1.13 -1.26 -5.01 117.38 110.92 1doa n GLN 74 Ca 0.09 0.07 -0.40 0.00 -1.94 0.00 0.00 57.00 54.81 1doa n GLN 74 Cb 0.33 -3.31 0.01 0.00 0.11 0.00 0.00 30.24 27.39 1doa n GLN 74 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1doa s THR 75 N -2.47 2.05 -0.18 5.09 2.01 -0.71 -4.77 115.64 116.67 1doa s THR 75 Ca 0.00 0.05 0.15 0.00 0.31 0.00 0.00 61.69 62.19 1doa s THR 75 Cb 0.00 -3.03 -0.24 0.00 0.01 0.00 0.00 72.50 69.24 1doa s THR 75 CO 0.00 0.01 0.15 0.47 -0.69 0.00 0.00 174.62 174.56 1doa n ASP 76 N -0.06 0.42 -3.64 3.53 10.43 0.32 -4.95 116.55 122.60 1doa n ASP 76 Ca 0.04 0.06 -0.14 0.00 2.57 0.00 0.00 54.79 57.32 1doa n ASP 76 Cb 0.41 0.61 -0.08 0.00 1.84 0.00 0.00 41.12 43.91 1doa n ASP 76 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1doa s VAL 77 N -2.51 0.00 0.10 2.53 -7.23 -0.87 -4.37 120.40 108.05 1doa s VAL 77 Ca -0.12 -0.02 0.06 0.00 -1.81 0.00 0.00 61.98 60.08 1doa s VAL 77 Cb 0.07 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 36.08 1doa s VAL 77 CO 0.80 -0.01 -0.03 -0.36 -0.31 0.00 0.00 175.10 175.19 1doa s PHE 78 N 0.00 2.90 -0.31 2.82 0.08 -1.02 -0.53 117.98 121.93 1doa s PHE 78 Ca -0.02 -0.07 0.01 0.00 0.12 0.00 0.00 56.93 56.96 1doa s PHE 78 Cb -0.04 -1.49 0.10 0.00 -0.57 0.00 0.00 43.02 41.01 1doa s PHE 78 CO 0.03 0.47 0.06 -0.51 -0.10 0.00 0.00 175.22 175.17 1doa s LEU 79 N -2.33 3.19 -0.25 -0.37 1.43 0.11 -2.22 118.68 118.24 1doa s LEU 79 Ca 0.25 -1.77 -0.23 0.00 -1.03 0.00 0.00 54.13 51.35 1doa s LEU 79 Cb -0.11 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.92 1doa s LEU 79 CO 0.17 -0.38 0.75 -0.69 0.23 0.00 0.00 176.35 176.43 1doa s VAL 80 N 1.33 4.89 0.10 -1.59 1.01 -0.45 0.70 120.40 126.39 1doa s VAL 80 Ca 0.08 1.40 0.07 0.00 0.00 0.00 0.00 61.98 63.53 1doa s VAL 80 Cb -0.18 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1doa s VAL 80 CO -0.17 -0.04 -0.08 0.00 0.00 0.00 0.00 175.10 174.81 1doa s PHE 82 N -1.22 -0.43 0.29 0.00 -0.12 0.13 -4.43 117.98 112.21 1doa s PHE 82 Ca 0.22 1.05 -0.29 0.00 -0.05 0.00 0.00 56.93 57.86 1doa s PHE 82 Cb -0.11 0.15 -0.09 0.00 -0.63 0.00 0.00 43.02 42.33 1doa s PHE 82 CO 0.14 -0.21 1.07 0.45 -0.05 0.00 0.00 175.22 176.62 1doa s SER 83 N 0.26 7.24 0.14 1.98 0.15 -1.26 -0.82 113.70 121.38 1doa s SER 83 Ca -0.00 2.19 -0.11 0.00 0.70 0.00 0.00 55.95 58.72 1doa s SER 83 Cb -0.03 -2.62 -0.06 0.00 -1.71 0.00 0.00 66.02 61.60 1doa s SER 83 CO -0.00 -0.16 1.45 0.58 1.20 0.00 0.00 173.24 176.31 1doa h VAL 84 N 2.96 1.27 -0.43 4.45 2.07 -1.62 -3.10 116.25 121.85 1doa h VAL 84 Ca -0.47 -1.63 -0.23 0.00 0.82 0.00 0.00 66.70 65.20 1doa h VAL 84 Cb 1.21 1.47 -0.13 0.00 -1.52 0.00 0.00 31.29 32.32 1doa h VAL 84 CO 0.66 0.54 0.29 1.33 0.02 0.00 0.00 177.57 180.41 1doa n VAL 85 N -4.04 2.00 -3.23 2.57 0.24 -1.26 -3.32 118.33 111.30 1doa n VAL 85 Ca -0.03 -0.88 -0.08 0.00 -2.04 0.00 0.00 64.34 61.31 1doa n VAL 85 Cb 0.58 -0.82 -0.04 0.00 -1.47 0.00 0.00 33.84 32.10 1doa n VAL 85 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1doa s SER 86 N 0.04 -0.32 0.55 -1.34 0.15 -1.17 -5.01 113.70 106.60 1doa s SER 86 Ca 0.25 -1.33 0.24 0.00 0.70 0.00 0.00 55.95 55.80 1doa s SER 86 Cb 0.21 1.29 1.55 0.00 -1.71 0.00 0.00 66.02 67.35 1doa s SER 86 CO 0.04 -0.19 2.19 -0.65 1.20 0.00 0.00 173.24 175.83 1doa h PRO 87 N 6.70 0.00 -0.93 5.44 0.11 -1.80 -2.64 132.00 138.88 1doa h PRO 87 Ca 0.06 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.26 1doa h PRO 87 Cb 1.11 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 1doa h PRO 87 CO 0.14 0.03 0.60 0.66 -0.21 0.00 0.00 178.00 179.21 1doa h SER 88 N 0.00 0.89 -0.00 -2.05 4.64 -1.95 -0.15 113.55 114.93 1doa h SER 88 Ca -0.00 0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 1doa h SER 88 Cb 0.06 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1doa h SER 88 CO 0.00 0.55 -0.27 0.77 -0.87 0.00 0.00 176.83 177.01 1doa h SER 89 N 1.00 0.25 -0.95 4.97 4.64 -1.81 -2.85 113.55 118.79 1doa h SER 89 Ca 0.42 -0.77 0.19 0.00 -0.47 0.00 0.00 61.79 61.16 1doa h SER 89 Cb 0.30 -0.08 -0.08 0.00 -0.31 0.00 0.00 62.40 62.23 1doa h SER 89 CO -0.17 0.98 0.61 0.15 -0.87 0.00 0.00 176.83 177.53 1doa h PHE 90 N -0.46 0.81 0.06 4.77 3.57 -1.38 -1.14 116.94 123.17 1doa h PHE 90 Ca -0.03 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1doa h PHE 90 Cb 1.02 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.51 1doa h PHE 90 CO 0.18 0.21 -0.03 0.93 -2.23 0.00 0.00 178.31 177.37 1doa h GLU 91 N 0.61 -0.08 0.00 1.11 4.39 -1.09 -3.11 114.58 116.41 1doa h GLU 91 Ca 0.51 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.22 1doa h GLU 91 Cb 0.99 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1doa h GLU 91 CO -0.26 0.43 0.33 -0.91 -1.16 0.00 0.00 179.01 177.44 1doa h ASN 92 N -0.66 0.00 -0.00 1.42 2.35 -1.00 -1.14 115.58 116.56 1doa h ASN 92 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1doa h ASN 92 Cb 0.55 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 1doa h ASN 92 CO 0.01 0.00 0.00 0.58 -1.65 0.00 0.00 177.43 176.38 1doa h VAL 93 N 0.00 1.01 -0.03 2.81 2.07 -1.25 0.15 116.25 121.02 1doa h VAL 93 Ca 0.00 -0.04 -0.23 0.00 0.82 0.00 0.00 66.70 67.25 1doa h VAL 93 Cb 0.66 1.03 0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1doa h VAL 93 CO 0.00 0.01 -0.93 0.50 0.02 0.00 0.00 177.57 177.17 1doa h LYS 94 N -0.01 0.55 0.33 1.57 3.11 -1.38 -1.89 116.57 118.85 1doa h LYS 94 Ca 0.00 -0.55 -0.02 0.00 -2.81 0.00 0.00 60.65 57.27 1doa h LYS 94 Cb 0.02 0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.40 1doa h LYS 94 CO -0.00 1.18 -0.16 0.93 -2.81 0.00 0.00 179.45 178.59 1doa h GLU 95 N 0.32 -0.43 0.00 1.90 4.39 -1.44 -3.41 114.58 115.91 1doa h GLU 95 Ca -0.09 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1doa h GLU 95 Cb 1.56 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.31 1doa h GLU 95 CO 0.17 -0.28 -0.38 1.17 -1.16 0.00 0.00 179.01 178.53 1doa n LYS 96 N -4.46 0.28 -0.01 2.33 4.81 0.01 -4.58 118.16 116.53 1doa n LYS 96 Ca -0.05 0.34 -0.03 0.00 -0.87 0.00 0.00 58.31 57.70 1doa n LYS 96 Cb 0.17 -1.24 -0.02 0.00 0.02 0.00 0.00 35.03 33.96 1doa n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1doa h TRP 97 N -0.59 -0.30 -0.87 5.64 -0.00 -1.49 -1.05 115.95 117.30 1doa h TRP 97 Ca 0.00 0.01 0.11 0.00 -0.00 0.00 0.00 58.89 59.02 1doa h TRP 97 Cb 0.38 0.14 -0.08 0.00 -0.00 0.00 0.00 29.16 29.59 1doa h TRP 97 CO -0.16 -0.09 0.50 0.28 -0.00 0.00 0.00 178.44 178.96 1doa h VAL 98 N -0.09 0.86 -0.52 1.49 2.07 -1.61 -0.96 116.25 117.48 1doa h VAL 98 Ca 0.01 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 1doa h VAL 98 Cb 0.12 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 1doa h VAL 98 CO -0.09 0.14 -0.10 -0.65 0.02 0.00 0.00 177.57 176.89 1doa h PRO 99 N 0.79 0.97 -0.47 1.57 0.11 -1.77 -0.59 132.00 132.61 1doa h PRO 99 Ca 0.44 -0.35 0.03 0.00 0.11 0.00 0.00 66.00 66.23 1doa h PRO 99 Cb 0.47 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 1doa h PRO 99 CO -0.28 1.02 0.26 1.49 -0.21 0.00 0.00 178.00 180.27 1doa h GLU 100 N 0.87 0.50 -0.07 1.05 4.81 0.08 0.11 114.58 121.94 1doa h GLU 100 Ca 0.14 -0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 59.11 1doa h GLU 100 Cb 0.65 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.92 1doa h GLU 100 CO 0.04 0.33 -0.87 -0.84 -0.73 0.00 0.00 179.01 176.95 1doa h ILE 101 N 0.52 1.33 0.00 2.32 3.07 -1.15 -2.55 117.51 121.05 1doa h ILE 101 Ca 0.19 -2.18 -0.05 0.00 1.55 0.00 0.00 64.86 64.37 1doa h ILE 101 Cb 0.06 2.20 -0.01 0.00 -0.27 0.00 0.00 36.82 38.80 1doa h ILE 101 CO -0.11 0.67 -0.23 0.71 -1.05 0.00 0.00 178.15 178.14 1doa h THR 102 N 0.38 0.55 0.01 0.16 1.35 -1.01 0.44 112.91 114.78 1doa h THR 102 Ca -0.07 -1.18 -0.00 0.00 -0.55 0.00 0.00 66.41 64.61 1doa h THR 102 Cb 1.49 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.72 1doa h THR 102 CO 0.16 0.23 -0.01 -0.74 -0.25 0.00 0.00 175.52 174.92 1doa h HIS 103 N 0.00 -0.01 0.00 4.73 -0.00 -0.70 -3.26 115.15 115.91 1doa h HIS 103 Ca -0.00 -0.00 -0.22 0.00 -0.00 0.00 0.00 60.37 60.14 1doa h HIS 103 Cb 0.79 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.18 1doa h HIS 103 CO 0.00 0.49 -1.10 0.45 -0.00 0.00 0.00 177.93 177.77 1doa h HIS 104 N -0.53 0.01 -2.68 5.26 3.86 -1.25 -3.41 115.15 116.43 1doa h HIS 104 Ca -0.00 -0.01 -0.60 0.00 -1.16 0.00 0.00 60.37 58.60 1doa h HIS 104 Cb 0.51 -0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.59 1doa h HIS 104 CO 0.10 1.01 -0.82 0.00 0.86 0.00 0.00 177.93 179.08 1doa n PRO 106 N 2.85 0.00 -0.29 0.00 -0.02 -1.23 -2.74 135.00 133.57 1doa n PRO 106 Ca 0.22 0.70 -0.04 0.00 -2.02 0.00 0.00 63.50 62.36 1doa n PRO 106 Cb 0.41 -1.32 0.06 0.00 -0.02 0.00 0.00 33.50 32.64 1doa n PRO 106 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1doa n LYS 107 N -2.07 1.52 -3.53 -0.52 4.76 -1.26 -4.86 118.16 112.20 1doa n LYS 107 Ca 0.00 -0.78 -0.38 0.00 -2.87 0.00 0.00 58.31 54.28 1doa n LYS 107 Cb 0.00 -1.42 -0.10 0.00 -1.84 0.00 0.00 35.03 31.67 1doa n LYS 107 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1doa s THR 108 N -1.02 5.27 1.01 -0.18 2.01 -1.11 -4.97 115.64 116.66 1doa s THR 108 Ca 0.14 0.31 -0.12 0.00 0.31 0.00 0.00 61.69 62.34 1doa s THR 108 Cb 0.12 -3.58 0.20 0.00 0.01 0.00 0.00 72.50 69.24 1doa s THR 108 CO 0.03 0.24 1.08 -2.84 -0.69 0.00 0.00 174.62 172.44 1doa s PRO 109 N 1.71 0.26 0.20 4.92 0.02 -1.26 -4.86 135.00 135.98 1doa s PRO 109 Ca 0.10 1.08 -0.23 0.00 0.02 0.00 0.00 61.00 61.97 1doa s PRO 109 Cb -0.15 -1.67 0.05 0.00 0.02 0.00 0.00 34.50 32.74 1doa s PRO 109 CO 0.09 -3.00 0.77 -0.59 -0.33 0.00 0.00 177.00 173.95 1doa s PHE 110 N -2.64 -0.26 0.08 6.54 -0.71 -1.26 -2.44 117.98 117.29 1doa s PHE 110 Ca 0.67 -0.08 0.01 0.00 -1.04 0.00 0.00 56.93 56.49 1doa s PHE 110 Cb -0.23 0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 1doa s PHE 110 CO 0.60 -0.99 -0.06 -0.51 -1.34 0.00 0.00 175.22 172.92 1doa s LEU 111 N -2.85 2.45 -0.15 -1.99 1.43 -0.94 -1.68 118.68 114.94 1doa s LEU 111 Ca 0.09 -0.91 -0.08 0.00 -1.03 0.00 0.00 54.13 52.20 1doa s LEU 111 Cb -0.03 -0.04 -0.04 0.00 0.03 0.00 0.00 46.19 46.10 1doa s LEU 111 CO 0.00 -0.43 0.13 -0.76 0.23 0.00 0.00 176.35 175.52 1doa s LEU 112 N -2.71 4.29 -0.19 1.79 1.02 -1.10 -1.34 118.68 120.44 1doa s LEU 112 Ca 0.06 0.36 0.01 0.00 0.02 0.00 0.00 54.13 54.59 1doa s LEU 112 Cb 0.02 -2.07 0.03 0.00 0.02 0.00 0.00 46.19 44.20 1doa s LEU 112 CO -0.04 0.32 -0.17 -0.69 0.02 0.00 0.00 176.35 175.79 1doa s VAL 113 N -0.50 1.94 -0.73 -1.59 1.01 0.18 -1.69 120.40 119.03 1doa s VAL 113 Ca 0.12 -0.99 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 1doa s VAL 113 Cb -0.12 -1.84 0.08 0.00 0.00 0.00 0.00 36.38 34.51 1doa s VAL 113 CO 0.02 0.40 1.01 -0.83 0.00 0.00 0.00 175.10 175.70 1doa s GLY 114 N 1.31 1.49 0.41 4.51 0.00 -0.50 0.18 107.32 114.72 1doa s GLY 114 Ca 0.02 -2.06 -0.20 0.00 0.00 0.00 0.00 44.72 42.49 1doa s GLY 114 CO -0.11 2.06 0.91 -0.51 0.00 0.00 0.00 173.10 175.45 1doa s THR 115 N 3.78 4.45 -0.63 0.90 -4.23 -0.00 -0.70 115.64 119.20 1doa s THR 115 Ca 0.25 1.38 -0.05 0.00 -1.18 0.00 0.00 61.69 62.09 1doa s THR 115 Cb -0.14 -3.61 0.01 0.00 1.34 0.00 0.00 72.50 70.10 1doa s THR 115 CO 0.05 -0.29 0.65 0.00 -0.54 0.00 0.00 174.62 174.50 1doa n GLN 116 N -0.57 -1.61 0.06 3.99 6.02 -0.57 -2.18 117.38 122.51 1doa n GLN 116 Ca 0.06 1.67 0.12 0.00 -0.01 0.00 0.00 57.00 58.84 1doa n GLN 116 Cb 0.54 -5.65 0.19 0.00 1.02 0.00 0.00 30.24 26.33 1doa n GLN 116 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1doa n ILE 117 N -1.31 0.34 0.16 5.09 -6.64 -1.09 -3.62 119.36 112.30 1doa n ILE 117 Ca 0.04 -0.26 0.02 0.00 -1.77 0.00 0.00 62.75 60.78 1doa n ILE 117 Cb 0.48 -0.13 0.34 0.00 -1.44 0.00 0.00 39.64 38.90 1doa n ILE 117 CO 0.00 0.00 0.00 -2.24 -1.77 0.00 0.00 176.55 172.54 1doa h ASP 118 N 0.00 0.07 0.41 7.28 -0.00 -1.92 -2.60 116.42 119.65 1doa h ASP 118 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 57.03 57.01 1doa h ASP 118 Cb 0.73 -0.02 0.00 0.00 -0.00 0.00 0.00 39.33 40.04 1doa h ASP 118 CO 0.00 0.42 0.00 0.18 -0.00 0.00 0.00 179.24 179.84 1doa n LEU 119 N -4.11 0.00 0.27 0.15 4.77 -1.24 -2.95 117.00 113.89 1doa n LEU 119 Ca -0.02 0.22 0.14 0.00 -0.03 0.00 0.00 56.01 56.32 1doa n LEU 119 Cb 0.40 -0.22 0.83 0.00 -2.33 0.00 0.00 43.42 42.11 1doa n LEU 119 CO 0.39 -0.02 1.12 0.03 -1.33 0.00 0.00 177.39 177.58 1doa h ARG 120 N 0.00 0.00 -2.66 3.23 3.08 -1.65 -3.26 114.38 113.13 1doa h ARG 120 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1doa h ARG 120 Cb 0.20 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.86 1doa h ARG 120 CO 0.00 0.00 -0.84 -0.51 -1.07 0.00 0.00 179.97 177.55 1doa s ASP 121 N -6.33 2.76 -0.12 7.04 1.01 -1.15 -4.95 116.67 114.92 1doa s ASP 121 Ca -0.05 -2.84 -0.10 0.00 0.71 0.00 0.00 52.55 50.27 1doa s ASP 121 Cb 0.16 -0.71 0.04 0.00 1.01 0.00 0.00 42.92 43.41 1doa s ASP 121 CO 0.58 -0.22 0.32 -0.62 0.21 0.00 0.00 175.17 175.45 1doa s ASP 122 N 0.20 -0.35 0.00 0.27 2.15 -1.23 -5.01 116.67 112.70 1doa s ASP 122 Ca 0.24 0.66 0.00 0.00 0.43 0.00 0.00 52.55 53.89 1doa s ASP 122 Cb -0.11 0.64 0.00 0.00 -0.30 0.00 0.00 42.92 43.15 1doa s ASP 122 CO -0.09 -0.13 0.28 -2.65 -0.17 0.00 0.00 175.17 172.41 1doa n PRO 123 N 3.22 0.00 -0.34 4.34 -0.02 -1.26 -2.03 135.00 138.92 1doa n PRO 123 Ca -0.16 0.16 0.22 0.00 -2.02 0.00 0.00 63.50 61.70 1doa n PRO 123 Cb 0.57 -0.78 0.45 0.00 -0.02 0.00 0.00 33.50 33.72 1doa n PRO 123 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1doa h SER 124 N 0.00 0.56 -0.09 2.55 0.87 -2.00 -0.93 113.55 114.51 1doa h SER 124 Ca 0.00 0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 1doa h SER 124 Cb 0.00 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1doa h SER 124 CO 0.00 -0.07 -0.18 0.71 -0.53 0.00 0.00 176.83 176.76 1doa h THR 125 N 0.40 1.40 0.00 2.23 1.35 -1.94 -3.11 112.91 113.23 1doa h THR 125 Ca 0.71 -1.47 -0.05 0.00 -0.55 0.00 0.00 66.41 65.05 1doa h THR 125 Cb 1.54 2.13 -0.01 0.00 -1.73 0.00 0.00 68.15 70.08 1doa h THR 125 CO -0.57 0.42 -0.25 0.40 -0.25 0.00 0.00 175.52 175.27 1doa h ILE 126 N -0.16 0.95 0.32 6.82 2.04 -0.85 -2.90 117.51 123.73 1doa h ILE 126 Ca 0.00 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 1doa h ILE 126 Cb 0.77 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 1doa h ILE 126 CO 0.04 0.24 -0.52 -0.08 0.00 0.00 0.00 178.15 177.83 1doa h GLU 127 N 0.00 -0.86 0.00 2.37 4.81 -1.12 -2.10 114.58 117.68 1doa h GLU 127 Ca -0.00 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1doa h GLU 127 Cb 0.51 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1doa h GLU 127 CO 0.03 -0.57 0.00 0.87 -0.73 0.00 0.00 179.01 178.61 1doa h LYS 128 N -0.89 0.00 0.00 1.92 1.57 -1.52 -3.29 116.57 114.36 1doa h LYS 128 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1doa h LYS 128 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1doa h LYS 128 CO -0.17 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 179.99 1doa n LEU 129 N -2.60 1.16 0.01 2.94 4.77 -0.93 -3.48 117.00 118.87 1doa n LEU 129 Ca 0.02 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1doa n LEU 129 Cb 0.32 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1doa n LEU 129 CO 0.25 -0.24 0.51 0.00 -1.33 0.00 0.00 177.39 176.59 1doa n ALA 130 N -1.21 0.61 -0.01 -1.18 0.00 -0.81 -1.64 120.51 116.27 1doa n ALA 130 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1doa n ALA 130 Cb 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 1doa n ALA 130 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1doa h LYS 131 N 0.00 -0.09 -1.31 0.00 3.64 -1.67 -3.34 116.57 113.80 1doa h LYS 131 Ca 0.00 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 1doa h LYS 131 Cb 0.40 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.18 1doa h LYS 131 CO 0.00 0.24 0.14 -1.71 -2.27 0.00 0.00 179.45 175.85 1doa n ASN 132 N -4.80 4.16 -3.51 4.20 2.85 -0.65 -4.82 115.26 112.69 1doa n ASN 132 Ca -0.04 -2.44 -0.24 0.00 -0.11 0.00 0.00 54.58 51.75 1doa n ASN 132 Cb 0.18 -0.77 0.05 0.00 1.24 0.00 0.00 39.78 40.49 1doa n ASN 132 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1doa n LYS 133 N 0.52 -2.12 -3.66 1.20 4.81 -1.23 -5.02 118.16 112.65 1doa n LYS 133 Ca 0.11 0.65 -0.08 0.00 -0.87 0.00 0.00 58.31 58.13 1doa n LYS 133 Cb 0.65 -4.96 -0.08 0.00 0.02 0.00 0.00 35.03 30.66 1doa n LYS 133 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 1doa s GLN 134 N -5.33 0.49 0.10 1.64 -2.07 -1.10 -5.03 119.66 108.36 1doa s GLN 134 Ca 0.41 1.07 0.08 0.00 -1.82 0.00 0.00 55.36 55.11 1doa s GLN 134 Cb -0.10 0.25 -0.03 0.00 -1.09 0.00 0.00 33.01 32.03 1doa s GLN 134 CO 0.80 -0.19 -0.21 0.15 -1.32 0.00 0.00 175.29 174.53 1doa s LYS 135 N 2.00 1.15 0.32 9.60 1.02 -1.26 -1.92 119.74 130.64 1doa s LYS 135 Ca -0.07 -1.16 -0.26 0.00 0.02 0.00 0.00 55.97 54.50 1doa s LYS 135 Cb -0.09 -1.41 -0.14 0.00 -0.52 0.00 0.00 37.83 35.67 1doa s LYS 135 CO -0.16 0.33 0.69 -2.30 -0.92 0.00 0.00 175.35 172.99 1doa n PRO 136 N 1.12 0.69 -2.67 -1.68 -0.02 -1.26 -4.97 135.00 126.21 1doa n PRO 136 Ca -0.19 0.24 -0.35 0.00 -2.02 0.00 0.00 63.50 61.18 1doa n PRO 136 Cb 0.53 -1.48 -0.05 0.00 -0.02 0.00 0.00 33.50 32.48 1doa n PRO 136 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1doa s ILE 137 N -1.21 4.02 0.20 4.25 -1.09 -1.21 -5.07 121.20 121.08 1doa s ILE 137 Ca 0.62 1.44 0.10 0.00 -2.23 0.00 0.00 60.65 60.58 1doa s ILE 137 Cb -0.72 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 36.42 1doa s ILE 137 CO 0.58 -0.09 -0.16 0.42 -1.23 0.00 0.00 174.94 174.46 1doa s THR 138 N -1.84 2.76 0.31 2.92 -4.23 -1.26 -5.01 115.64 109.31 1doa s THR 138 Ca 0.59 -1.92 0.08 0.00 -1.18 0.00 0.00 61.69 59.26 1doa s THR 138 Cb -0.17 -2.37 0.31 0.00 1.34 0.00 0.00 72.50 71.61 1doa s THR 138 CO 0.22 -0.16 1.75 -0.65 -0.54 0.00 0.00 174.62 175.24 1doa h PRO 139 N 2.89 0.64 -0.43 3.99 0.11 -1.99 0.11 132.00 137.33 1doa h PRO 139 Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1doa h PRO 139 Cb 1.22 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1doa h PRO 139 CO 0.53 0.42 0.22 0.93 -0.21 0.00 0.00 178.00 179.89 1doa h GLU 140 N 0.66 0.61 0.27 1.05 4.39 -1.98 0.19 114.58 119.76 1doa h GLU 140 Ca 0.61 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 60.22 1doa h GLU 140 Cb 1.08 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 1doa h GLU 140 CO -0.43 0.50 -0.13 1.15 -1.16 0.00 0.00 179.01 178.95 1doa h THR 141 N 0.55 0.75 -0.60 1.13 2.02 -1.26 -2.80 112.91 112.70 1doa h THR 141 Ca 0.15 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 1doa h THR 141 Cb 0.08 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1doa h THR 141 CO -0.02 0.02 0.29 0.00 0.37 0.00 0.00 175.52 176.18 1doa h ALA 142 N 0.31 0.78 -0.17 6.16 0.00 -0.98 -2.66 119.26 122.70 1doa h ALA 142 Ca -0.04 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1doa h ALA 142 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1doa h ALA 142 CO 0.06 0.34 0.12 0.93 0.00 0.00 0.00 179.25 180.70 1doa h GLU 143 N 0.82 0.03 0.28 0.00 5.08 -0.58 0.10 114.58 120.32 1doa h GLU 143 Ca 0.21 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1doa h GLU 143 Cb 0.12 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1doa h GLU 143 CO -0.03 0.02 -0.14 0.87 -1.00 0.00 0.00 179.01 178.74 1doa h LYS 144 N 0.03 -0.37 -0.85 2.33 1.57 -1.20 -1.92 116.57 116.17 1doa h LYS 144 Ca 0.08 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1doa h LYS 144 Cb 0.27 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 1doa h LYS 144 CO -0.00 -0.04 0.54 1.25 -0.57 0.00 0.00 179.45 180.63 1doa h LEU 145 N -0.76 0.91 0.12 2.94 5.85 -1.25 -0.36 115.31 122.76 1doa h LEU 145 Ca -0.04 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1doa h LEU 145 Cb 0.50 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1doa h LEU 145 CO 0.06 0.62 -0.06 0.00 -0.34 0.00 0.00 178.44 178.72 1doa h ALA 146 N 1.35 -0.17 -0.25 1.25 0.00 -0.83 0.30 119.26 120.91 1doa h ALA 146 Ca 0.34 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 1doa h ALA 146 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1doa h ALA 146 CO -0.11 -0.60 -0.10 -0.09 0.00 0.00 0.00 179.25 178.35 1doa h ARG 147 N -0.17 0.41 -0.25 0.00 2.43 -1.07 0.56 114.38 116.30 1doa h ARG 147 Ca -0.01 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 1doa h ARG 147 Cb 0.14 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1doa h ARG 147 CO 0.02 0.52 0.04 -0.44 -1.51 0.00 0.00 179.97 178.61 1doa h ASP 148 N 0.39 0.39 0.74 -3.80 3.45 -0.65 -2.30 116.42 114.64 1doa h ASP 148 Ca 0.08 -0.25 0.00 0.00 0.43 0.00 0.00 57.03 57.28 1doa h ASP 148 Cb 0.42 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 1doa h ASP 148 CO 0.02 0.54 0.00 0.18 -1.57 0.00 0.00 179.24 178.42 1doa n LEU 149 N -4.70 0.00 -1.59 1.55 4.77 0.10 -4.91 117.00 112.22 1doa n LEU 149 Ca -0.03 0.44 -0.11 0.00 -0.03 0.00 0.00 56.01 56.28 1doa n LEU 149 Cb 0.20 -0.44 0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1doa n LEU 149 CO 0.37 -0.07 0.01 0.29 -1.33 0.00 0.00 177.39 176.66 1doa n LYS 150 N -1.44 -2.44 -2.55 3.23 5.02 0.15 -5.01 118.16 115.13 1doa n LYS 150 Ca 0.08 0.43 -0.41 0.00 -2.02 0.00 0.00 58.31 56.39 1doa n LYS 150 Cb 0.26 -4.30 -0.04 0.00 -0.02 0.00 0.00 35.03 30.93 1doa n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1doa s ALA 151 N -2.86 3.36 0.41 7.82 0.00 0.12 -4.90 121.76 125.71 1doa s ALA 151 Ca 0.15 0.79 0.23 0.00 0.00 0.00 0.00 51.96 53.13 1doa s ALA 151 Cb -0.07 -3.33 1.26 0.00 0.00 0.00 0.00 23.12 20.98 1doa s ALA 151 CO 0.19 -0.15 1.68 0.28 0.00 0.00 0.00 175.76 177.76 1doa h VAL 152 N 3.61 0.28 -2.21 0.00 2.07 -1.64 -3.42 116.25 114.94 1doa h VAL 152 Ca -0.45 -0.08 0.19 0.00 0.82 0.00 0.00 66.70 67.18 1doa h VAL 152 Cb 1.21 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1doa h VAL 152 CO 0.71 0.04 0.57 0.29 0.02 0.00 0.00 177.57 179.21 1doa n LYS 153 N -4.75 0.38 -4.44 1.57 5.02 -1.26 -5.09 118.16 109.60 1doa n LYS 153 Ca 0.32 -0.97 -0.22 0.00 -2.02 0.00 0.00 58.31 55.42 1doa n LYS 153 Cb 1.17 1.39 -0.16 0.00 -0.02 0.00 0.00 35.03 37.40 1doa n LYS 153 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1doa s TYR 154 N -2.62 1.15 0.05 2.13 5.04 -1.26 -2.71 117.35 119.13 1doa s TYR 154 Ca 0.21 -0.37 -0.01 0.00 -2.44 0.00 0.00 57.07 54.46 1doa s TYR 154 Cb -0.02 -0.86 -0.04 0.00 0.35 0.00 0.00 41.96 41.40 1doa s TYR 154 CO 0.03 -0.20 -0.03 0.14 -1.34 0.00 0.00 175.55 174.14 1doa s VAL 155 N 0.58 0.24 0.12 3.14 -7.23 -0.68 -4.97 120.40 111.59 1doa s VAL 155 Ca -0.10 -1.67 -0.03 0.00 -1.81 0.00 0.00 61.98 58.37 1doa s VAL 155 Cb -0.13 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 1doa s VAL 155 CO 0.02 -0.91 0.10 -1.83 -0.31 0.00 0.00 175.10 172.17 1doa s GLU 156 N -3.50 0.91 0.10 4.82 -1.05 -1.26 -1.41 118.70 117.30 1doa s GLU 156 Ca 0.04 -1.31 -0.25 0.00 -0.15 0.00 0.00 54.97 53.29 1doa s GLU 156 Cb 0.05 0.27 0.09 0.00 -0.44 0.00 0.00 34.13 34.10 1doa s GLU 156 CO -0.08 -0.27 1.14 0.00 0.95 0.00 0.00 175.26 177.00 1doa s SER 158 N -3.46 1.51 0.20 0.00 0.15 -0.96 -1.51 113.70 109.62 1doa s SER 158 Ca 0.23 -0.18 0.25 0.00 0.70 0.00 0.00 55.95 56.94 1doa s SER 158 Cb -0.01 -0.59 0.90 0.00 -1.71 0.00 0.00 66.02 64.62 1doa s SER 158 CO 0.02 -0.10 1.74 0.00 1.20 0.00 0.00 173.24 176.11 1doa n ALA 159 N 4.52 1.99 -0.06 5.45 0.00 -1.26 0.11 120.51 131.26 1doa n ALA 159 Ca -0.17 0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 1doa n ALA 159 Cb 0.51 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1doa n ALA 159 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1doa h LEU 160 N 0.00 0.00 -1.58 0.00 7.12 -1.94 -3.37 115.31 115.53 1doa h LEU 160 Ca 0.00 -0.24 0.00 0.00 0.13 0.00 0.00 57.88 57.77 1doa h LEU 160 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.66 1doa h LEU 160 CO 0.00 0.66 0.00 0.35 -0.13 0.00 0.00 178.44 179.32 1doa n THR 161 N -4.72 0.37 -1.51 1.05 -2.24 -1.22 -4.87 114.28 101.14 1doa n THR 161 Ca -0.04 -0.52 -0.07 0.00 -2.27 0.00 0.00 64.05 61.15 1doa n THR 161 Cb 0.15 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 1doa n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1doa n GLN 162 N 0.78 -1.49 -2.57 -0.78 6.02 0.12 -4.87 117.38 114.58 1doa n GLN 162 Ca 0.17 0.42 -0.43 0.00 -0.01 0.00 0.00 57.00 57.15 1doa n GLN 162 Cb 0.43 -4.66 -0.02 0.00 1.02 0.00 0.00 30.24 27.01 1doa n GLN 162 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1doa s LYS 163 N -3.20 4.22 0.00 -1.09 1.02 -1.20 -3.31 119.74 116.18 1doa s LYS 163 Ca 0.00 1.42 0.00 0.00 0.02 0.00 0.00 55.97 57.41 1doa s LYS 163 Cb 0.00 -3.70 0.00 0.00 -0.52 0.00 0.00 37.83 33.61 1doa s LYS 163 CO 0.00 -0.70 0.00 0.41 -0.92 0.00 0.00 175.35 174.14 1doa n GLY 164 N 3.51 2.03 0.30 -3.33 0.00 -1.26 -2.27 105.19 104.17 1doa n GLY 164 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 1doa n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1doa h LEU 165 N 0.00 -0.71 -1.71 0.99 5.85 -1.83 -1.03 115.31 116.87 1doa h LEU 165 Ca 0.00 0.04 0.32 0.00 0.84 0.00 0.00 57.88 59.08 1doa h LEU 165 Cb 0.00 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 1doa h LEU 165 CO 0.00 -0.45 0.78 0.11 -0.34 0.00 0.00 178.44 178.55 1doa h LYS 166 N -0.72 0.15 -0.09 1.25 1.57 -1.93 0.10 116.57 116.92 1doa h LYS 166 Ca -0.07 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.53 1doa h LYS 166 Cb 0.57 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1doa h LYS 166 CO 0.08 0.10 -0.71 -0.97 -0.57 0.00 0.00 179.45 177.39 1doa h ASN 167 N 0.16 0.47 -0.57 0.86 -1.24 -1.86 -2.65 115.58 110.76 1doa h ASN 167 Ca 0.59 -0.30 0.03 0.00 0.71 0.00 0.00 56.30 57.33 1doa h ASN 167 Cb 1.99 -0.14 -0.04 0.00 0.73 0.00 0.00 38.32 40.86 1doa h ASN 167 CO -0.15 1.03 0.34 0.58 -1.29 0.00 0.00 177.43 177.94 1doa h VAL 168 N 0.28 1.04 0.00 2.57 2.07 0.56 0.16 116.25 122.92 1doa h VAL 168 Ca -0.03 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 67.11 1doa h VAL 168 Cb 1.27 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1doa h VAL 168 CO 0.12 0.12 -0.73 -0.26 0.02 0.00 0.00 177.57 176.84 1doa h PHE 169 N 0.66 0.00 -0.62 1.57 0.04 -1.57 -0.31 116.94 116.71 1doa h PHE 169 Ca 0.23 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.91 1doa h PHE 169 Cb 0.05 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 1doa h PHE 169 CO -0.06 0.73 0.01 -0.44 -0.60 0.00 0.00 178.31 177.95 1doa h ASP 170 N 0.00 1.06 0.81 2.17 3.32 -1.06 0.93 116.42 123.65 1doa h ASP 170 Ca -0.01 -0.30 -0.15 0.00 0.02 0.00 0.00 57.03 56.59 1doa h ASP 170 Cb 1.38 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1doa h ASP 170 CO 0.10 1.10 -0.72 -0.33 -1.72 0.00 0.00 179.24 177.67 1doa h GLU 171 N 0.99 0.00 -0.44 3.56 4.39 -0.85 -2.19 114.58 120.05 1doa h GLU 171 Ca 0.18 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 1doa h GLU 171 Cb 0.55 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1doa h GLU 171 CO 0.03 0.72 0.26 0.00 -1.16 0.00 0.00 179.01 178.86 1doa h ALA 172 N 1.28 0.56 0.70 3.43 0.00 -0.33 0.36 119.26 125.26 1doa h ALA 172 Ca -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1doa h ALA 172 Cb 1.31 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1doa h ALA 172 CO 0.09 0.05 -0.34 0.82 0.00 0.00 0.00 179.25 179.87 1doa h ILE 173 N 0.58 0.23 -0.90 0.00 1.08 -0.73 -1.97 117.51 115.80 1doa h ILE 173 Ca 0.16 -0.17 0.11 0.00 -0.39 0.00 0.00 64.86 64.57 1doa h ILE 173 Cb -0.00 0.27 -0.08 0.00 -3.07 0.00 0.00 36.82 33.94 1doa h ILE 173 CO -0.03 0.02 0.53 -0.07 -0.69 0.00 0.00 178.15 177.91 1doa h LEU 174 N -1.08 0.76 -1.37 1.44 3.38 -1.28 -0.61 115.31 116.55 1doa h LEU 174 Ca -0.10 0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1doa h LEU 174 Cb 0.75 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1doa h LEU 174 CO 0.16 0.41 0.45 0.00 0.09 0.00 0.00 178.44 179.55 1doa h ALA 175 N 1.50 1.61 0.00 1.53 0.00 -0.13 -1.21 119.26 122.56 1doa h ALA 175 Ca 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1doa h ALA 175 Cb 0.44 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1doa h ALA 175 CO -0.27 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1doa n ALA 176 N -2.44 2.26 0.05 0.00 0.00 -0.30 -3.57 120.51 116.51 1doa n ALA 176 Ca 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1doa n ALA 176 Cb 0.12 -1.46 -0.08 0.00 0.00 0.00 0.00 19.45 18.03 1doa n ALA 176 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1doa h LEU 177 N 0.00 0.00 -9.41 0.00 3.38 -0.55 -3.46 115.31 105.26 1doa h LEU 177 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1doa h LEU 177 Cb 0.67 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.44 1doa h LEU 177 CO 0.00 0.75 1.15 -0.70 0.09 0.00 0.00 178.44 179.73 1doa s GLU 178 N -2.81 4.15 0.50 1.13 2.56 -1.13 -4.94 118.70 118.15 1doa s GLU 178 Ca -0.01 2.53 -0.21 0.00 0.00 0.00 0.00 54.97 57.28 1doa s GLU 178 Cb 0.09 -3.88 -0.09 0.00 2.00 0.00 0.00 34.13 32.25 1doa s GLU 178 CO 0.80 -0.88 0.83 -2.30 -0.56 0.00 0.00 175.26 173.15 1doa n PRO 179 N 6.61 0.94 -0.23 4.30 -0.02 -1.26 -4.95 135.00 140.39 1doa n PRO 179 Ca 0.18 0.35 -0.13 0.00 -2.02 0.00 0.00 63.50 61.89 1doa n PRO 179 Cb 0.40 -1.93 -0.10 0.00 -0.02 0.00 0.00 33.50 31.85 1doa n PRO 179 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1doa h PRO 180 N 0.88 -0.26 -3.36 0.52 0.11 -1.93 -3.49 132.00 124.47 1doa h PRO 180 Ca -0.45 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1doa h PRO 180 Cb 1.37 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.53 1doa h PRO 180 CO 0.52 -0.17 -0.18 -1.91 -0.21 0.00 0.00 178.00 176.06 1doa n GLU 181 N -5.31 -0.61 0.00 1.05 2.13 -1.26 -4.99 120.64 111.65 1doa n GLU 181 Ca -0.02 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.71 1doa n GLU 181 Cb 0.31 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 30.27 1doa n GLU 181 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1doa n PRO 182 N 0.13 0.00 -0.79 5.31 -0.02 -1.26 -4.81 135.00 133.56 1doa n PRO 182 Ca -0.00 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1doa n PRO 182 Cb 0.01 -0.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 1doa n PRO 182 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1doa n LYS 183 N -1.57 -1.03 -2.58 -0.52 5.02 -1.26 -4.82 118.16 111.39 1doa n LYS 183 Ca 0.00 0.26 -0.35 0.00 -2.02 0.00 0.00 58.31 56.20 1doa n LYS 183 Cb 0.00 -4.64 0.00 0.00 -0.02 0.00 0.00 35.03 30.37 1doa n LYS 183 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1doa n LYS 184 N -0.49 4.02 -2.06 1.97 4.01 -1.26 -5.02 118.16 119.33 1doa n LYS 184 Ca 0.00 -4.51 -0.41 0.00 -0.51 0.00 0.00 58.31 52.88 1doa n LYS 184 Cb 0.26 -2.33 -0.03 0.00 -0.51 0.00 0.00 35.03 32.42 1doa n LYS 184 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1doa s SER 185 N -2.26 5.67 0.39 4.39 1.04 -1.26 -4.87 113.70 116.80 1doa s SER 185 Ca 0.46 0.80 0.23 0.00 0.48 0.00 0.00 55.95 57.92 1doa s SER 185 Cb 0.29 -2.53 0.30 0.00 0.10 0.00 0.00 66.02 64.19 1doa s SER 185 CO -0.19 -1.97 1.52 0.03 0.98 0.00 0.00 173.24 173.61 1doa h ARG 186 N 13.52 0.00 0.00 4.02 3.08 -2.03 -3.56 114.38 129.41 1doa h ARG 186 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1doa h ARG 186 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1doa h ARG 186 CO 1.12 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 180.56