#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cnb n GLY 6 N 0.00 2.36 0.43 -1.67 0.00 -0.54 -5.02 105.19 100.75 1cnb n GLY 6 Ca 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.70 1cnb n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cnb n TYR 7 N 0.00 0.00 -2.20 1.61 4.02 -1.26 -3.87 117.16 115.45 1cnb n TYR 7 Ca 0.00 -0.65 -0.27 0.00 -0.01 0.00 0.00 57.90 56.97 1cnb n TYR 7 Cb 0.00 -0.13 0.15 0.00 -0.02 0.00 0.00 39.34 39.34 1cnb n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1cnb s GLY 8 N -2.16 1.77 0.47 2.72 0.00 -1.26 -4.73 107.32 104.13 1cnb s GLY 8 Ca 0.21 -1.39 0.25 0.00 0.00 0.00 0.00 44.72 43.80 1cnb s GLY 8 CO -0.01 -0.72 1.92 1.70 0.00 0.00 0.00 173.10 175.98 1cnb h LYS 9 N -1.14 0.00 -0.01 2.90 1.63 -1.97 -0.32 116.57 117.66 1cnb h LYS 9 Ca -0.41 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 1cnb h LYS 9 Cb 1.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1cnb h LYS 9 CO 0.40 0.19 -0.51 0.72 -3.45 0.00 0.00 179.45 176.81 1cnb n HIS 10 N -3.48 0.00 -1.27 1.91 8.25 -1.26 -4.56 115.22 114.82 1cnb n HIS 10 Ca -0.01 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.46 1cnb n HIS 10 Cb 0.36 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.48 1cnb n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1cnb n ASN 11 N -0.68 0.46 -3.91 0.41 6.94 -1.21 -4.98 115.26 112.29 1cnb n ASN 11 Ca 0.05 -1.70 -0.30 0.00 -0.02 0.00 0.00 54.58 52.61 1cnb n ASN 11 Cb 0.29 -0.12 0.25 0.00 -2.36 0.00 0.00 39.78 37.84 1cnb n ASN 11 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1cnb s GLY 12 N -0.78 1.53 0.40 4.83 0.00 -0.13 -1.47 107.32 111.70 1cnb s GLY 12 Ca 0.03 -0.76 0.24 0.00 0.00 0.00 0.00 44.72 44.23 1cnb s GLY 12 CO 0.00 0.11 1.62 -2.55 0.00 0.00 0.00 173.10 172.28 1cnb h PRO 13 N -2.71 0.11 0.00 2.90 0.11 -1.83 0.25 132.00 130.82 1cnb h PRO 13 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1cnb h PRO 13 Cb 1.32 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1cnb h PRO 13 CO 0.38 0.07 0.00 -0.85 -0.21 0.00 0.00 178.00 177.39 1cnb n GLU 14 N -4.93 0.66 -0.02 1.05 0.00 -1.26 -3.34 120.64 112.80 1cnb n GLU 14 Ca 0.36 0.02 0.02 0.00 0.00 0.00 0.00 57.16 57.56 1cnb n GLU 14 Cb 1.29 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 31.14 1cnb n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1cnb n HIS 15 N -1.12 0.00 -0.34 -1.84 8.25 0.07 -4.69 115.22 115.55 1cnb n HIS 15 Ca 0.17 0.00 0.26 0.00 -0.26 0.00 0.00 57.72 57.90 1cnb n HIS 15 Cb 0.14 -0.37 0.55 0.00 1.12 0.00 0.00 29.99 31.44 1cnb n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1cnb h TRP 16 N 0.00 0.58 -1.01 4.41 6.55 -1.54 -1.78 115.95 123.16 1cnb h TRP 16 Ca -0.11 0.02 0.28 0.00 0.95 0.00 0.00 58.89 60.03 1cnb h TRP 16 Cb 0.95 -0.16 -0.06 0.00 -0.86 0.00 0.00 29.16 29.03 1cnb h TRP 16 CO 0.00 0.00 0.70 1.12 -1.05 0.00 0.00 178.44 179.22 1cnb h HIS 17 N 0.30 0.22 -0.74 0.49 2.07 -1.81 0.58 115.15 116.26 1cnb h HIS 17 Ca 0.63 0.01 -0.06 0.00 -2.85 0.00 0.00 60.37 58.10 1cnb h HIS 17 Cb 1.76 -0.06 -0.03 0.00 2.57 0.00 0.00 27.41 31.65 1cnb h HIS 17 CO -0.00 0.03 0.23 0.87 -3.07 0.00 0.00 177.93 175.99 1cnb h LYS 18 N 0.14 1.15 0.00 5.12 1.57 -1.68 -2.77 116.57 120.09 1cnb h LYS 18 Ca 0.51 -0.25 -0.35 0.00 -1.87 0.00 0.00 60.65 58.70 1cnb h LYS 18 Cb 1.76 -0.17 -0.07 0.00 0.08 0.00 0.00 32.23 33.84 1cnb h LYS 18 CO -0.09 0.98 -2.30 -0.25 -0.57 0.00 0.00 179.45 177.21 1cnb n ASP 19 N -4.27 0.38 -3.62 0.86 8.00 -0.73 -4.74 116.55 112.44 1cnb n ASP 19 Ca 0.06 -0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.28 1cnb n ASP 19 Cb 0.23 0.92 -0.10 0.00 -0.02 0.00 0.00 41.12 42.15 1cnb n ASP 19 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1cnb n PHE 20 N -2.72 2.13 0.21 1.24 3.72 0.19 -4.97 117.46 117.26 1cnb n PHE 20 Ca -0.31 -4.00 0.14 0.00 -0.05 0.00 0.00 57.45 53.23 1cnb n PHE 20 Cb 1.11 -0.40 0.54 0.00 -0.94 0.00 0.00 39.48 39.80 1cnb n PHE 20 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1cnb h PRO 21 N 5.02 0.00 0.00 -1.08 0.13 -1.71 0.30 132.00 134.66 1cnb h PRO 21 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1cnb h PRO 21 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1cnb h PRO 21 CO 0.65 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.93 1cnb n ILE 22 N -3.00 0.67 -0.04 -3.56 3.06 -1.26 -2.50 119.36 112.72 1cnb n ILE 22 Ca 0.04 0.17 0.19 0.00 -2.50 0.00 0.00 62.75 60.64 1cnb n ILE 22 Cb 0.74 -0.89 0.64 0.00 0.54 0.00 0.00 39.64 40.67 1cnb n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1cnb h ALA 23 N 2.70 2.38 -0.49 1.51 0.00 -0.72 0.13 119.26 124.77 1cnb h ALA 23 Ca 0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.55 1cnb h ALA 23 Cb 0.21 0.01 -0.25 0.00 0.00 0.00 0.00 17.79 17.76 1cnb h ALA 23 CO 0.00 -0.54 -0.49 0.36 0.00 0.00 0.00 179.25 178.57 1cnb n LYS 24 N -4.41 2.69 -0.18 0.00 2.85 -1.04 -4.96 118.16 113.10 1cnb n LYS 24 Ca 0.11 -3.71 -0.05 0.00 -1.05 0.00 0.00 58.31 53.61 1cnb n LYS 24 Cb 0.57 -2.02 0.04 0.00 -0.65 0.00 0.00 35.03 32.97 1cnb n LYS 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1cnb n GLY 25 N -0.91 -2.27 0.09 2.58 0.00 0.46 -5.02 105.19 100.14 1cnb n GLY 25 Ca 0.37 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 45.01 1cnb n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1cnb h GLU 26 N 0.00 0.00 -1.34 1.61 4.39 -1.96 -3.40 114.58 113.89 1cnb h GLU 26 Ca -0.06 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.20 1cnb h GLU 26 Cb 0.19 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.44 1cnb h GLU 26 CO 0.04 0.00 -1.08 2.89 -1.16 0.00 0.00 179.01 179.70 1cnb n ARG 27 N -2.43 1.66 -2.82 2.33 1.85 -1.26 -4.85 116.66 111.15 1cnb n ARG 27 Ca 0.02 -3.60 -0.34 0.00 -1.00 0.00 0.00 57.85 52.92 1cnb n ARG 27 Cb 0.50 -1.57 -0.07 0.00 -1.05 0.00 0.00 32.46 30.27 1cnb n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1cnb s GLN 28 N -3.10 4.35 0.14 2.89 -1.52 -1.26 -2.16 119.66 119.00 1cnb s GLN 28 Ca 0.34 1.18 0.07 0.00 -1.95 0.00 0.00 55.36 55.00 1cnb s GLN 28 Cb 0.42 -2.43 -0.04 0.00 -0.22 0.00 0.00 33.01 30.74 1cnb s GLN 28 CO -0.03 0.10 -0.15 -1.12 -0.25 0.00 0.00 175.29 173.84 1cnb s SER 29 N -1.97 2.19 0.85 5.90 0.01 -1.26 -4.68 113.70 114.74 1cnb s SER 29 Ca 0.57 -0.85 -0.10 0.00 1.31 0.00 0.00 55.95 56.87 1cnb s SER 29 Cb -0.13 -0.09 0.15 0.00 0.21 0.00 0.00 66.02 66.16 1cnb s SER 29 CO 0.17 -0.13 1.18 -2.16 0.41 0.00 0.00 173.24 172.71 1cnb s PRO 30 N -2.86 1.28 0.24 12.44 0.04 -1.26 -4.60 135.00 140.28 1cnb s PRO 30 Ca 0.12 -0.51 -0.01 0.00 0.04 0.00 0.00 61.00 60.65 1cnb s PRO 30 Cb -0.04 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1cnb s PRO 30 CO 0.04 -1.91 0.22 0.14 0.04 0.00 0.00 177.00 175.53 1cnb s VAL 31 N -3.57 0.00 -0.14 -0.36 -7.23 -1.26 0.08 120.40 107.93 1cnb s VAL 31 Ca 0.69 -1.91 -0.15 0.00 -1.81 0.00 0.00 61.98 58.80 1cnb s VAL 31 Cb -0.06 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 1cnb s VAL 31 CO 0.49 0.00 0.33 -0.62 -0.31 0.00 0.00 175.10 175.00 1cnb s ASP 32 N -3.19 6.52 -0.45 4.85 2.15 -1.26 -2.99 116.67 122.29 1cnb s ASP 32 Ca 0.37 0.61 -0.18 0.00 0.43 0.00 0.00 52.55 53.78 1cnb s ASP 32 Cb 0.05 -2.20 0.04 0.00 -0.30 0.00 0.00 42.92 40.50 1cnb s ASP 32 CO 0.15 0.11 0.49 -0.63 -0.17 0.00 0.00 175.17 175.13 1cnb s ILE 33 N 0.30 5.04 -0.64 4.11 1.01 0.68 -4.94 121.20 126.77 1cnb s ILE 33 Ca 0.19 -0.49 -0.21 0.00 0.00 0.00 0.00 60.65 60.13 1cnb s ILE 33 Cb -0.14 -4.13 0.08 0.00 0.01 0.00 0.00 42.46 38.28 1cnb s ILE 33 CO 0.06 -0.56 0.88 -0.62 0.00 0.00 0.00 174.94 174.69 1cnb s ASP 34 N 2.19 6.18 0.63 3.58 -1.08 -1.26 -0.10 116.67 126.81 1cnb s ASP 34 Ca 0.12 -1.14 0.41 0.00 -0.52 0.00 0.00 52.55 51.42 1cnb s ASP 34 Cb -0.19 -2.38 2.11 0.00 -1.46 0.00 0.00 42.92 41.01 1cnb s ASP 34 CO 0.12 -1.33 2.26 0.71 0.52 0.00 0.00 175.17 177.45 1cnb h THR 35 N 5.96 0.01 0.00 1.71 1.35 -1.95 -1.39 112.91 118.60 1cnb h THR 35 Ca -0.29 -0.16 -0.08 0.00 -0.55 0.00 0.00 66.41 65.33 1cnb h THR 35 Cb 1.08 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 1cnb h THR 35 CO 1.16 0.00 -0.85 0.45 -0.25 0.00 0.00 175.52 176.02 1cnb h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.02 -3.34 115.15 118.38 1cnb h HIS 36 Ca -0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.07 1cnb h HIS 36 Cb 0.16 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 1cnb h HIS 36 CO 0.00 0.33 -1.84 2.41 0.86 0.00 0.00 177.93 179.69 1cnb n THR 37 N -2.96 0.75 -1.85 2.45 -1.04 -0.95 -4.97 114.28 105.71 1cnb n THR 37 Ca -0.02 -0.65 -0.41 0.00 -2.04 0.00 0.00 64.05 60.93 1cnb n THR 37 Cb 0.69 -0.36 -0.01 0.00 -1.82 0.00 0.00 70.33 68.84 1cnb n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cnb s ALA 38 N -3.08 3.63 -0.23 2.41 0.00 -0.57 -4.86 121.76 119.07 1cnb s ALA 38 Ca -0.06 1.52 -0.12 0.00 0.00 0.00 0.00 51.96 53.29 1cnb s ALA 38 Cb 0.10 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 1cnb s ALA 38 CO 0.85 -0.96 0.25 0.21 0.00 0.00 0.00 175.76 176.11 1cnb s LYS 39 N -1.38 4.09 -0.08 0.00 2.36 0.07 -4.84 119.74 119.96 1cnb s LYS 39 Ca 0.56 -0.11 -0.30 0.00 -2.55 0.00 0.00 55.97 53.58 1cnb s LYS 39 Cb -0.46 -3.55 -0.04 0.00 -1.05 0.00 0.00 37.83 32.73 1cnb s LYS 39 CO 0.55 -0.00 1.40 -0.47 1.55 0.00 0.00 175.35 178.38 1cnb s TYR 40 N 1.24 2.65 -0.28 4.03 5.04 -1.26 -0.60 117.35 128.16 1cnb s TYR 40 Ca 0.12 0.76 -0.01 0.00 -2.44 0.00 0.00 57.07 55.50 1cnb s TYR 40 Cb -0.14 -3.65 0.05 0.00 0.35 0.00 0.00 41.96 38.57 1cnb s TYR 40 CO 0.06 -2.43 -0.03 0.34 -1.34 0.00 0.00 175.55 172.15 1cnb s ASP 41 N 2.26 4.72 0.58 4.32 2.15 -0.41 -4.89 116.67 125.40 1cnb s ASP 41 Ca 0.62 -1.20 0.37 0.00 0.43 0.00 0.00 52.55 52.76 1cnb s ASP 41 Cb -0.28 -1.68 1.69 0.00 -0.30 0.00 0.00 42.92 42.35 1cnb s ASP 41 CO 0.22 -0.22 2.11 1.55 -0.17 0.00 0.00 175.17 178.66 1cnb h PRO 42 N 7.97 0.00 -0.01 4.34 0.13 -1.92 -2.79 132.00 139.71 1cnb h PRO 42 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1cnb h PRO 42 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1cnb h PRO 42 CO 0.53 0.01 0.00 -1.13 -0.23 0.00 0.00 178.00 177.19 1cnb n SER 43 N -3.13 0.17 -4.67 1.44 3.41 -1.26 -4.81 113.62 104.78 1cnb n SER 43 Ca -0.01 -1.34 -0.43 0.00 -0.26 0.00 0.00 58.87 56.84 1cnb n SER 43 Cb 0.23 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1cnb n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1cnb s LEU 44 N -1.70 4.18 0.43 1.04 1.02 -1.06 -5.01 118.68 117.59 1cnb s LEU 44 Ca 0.34 1.53 -0.06 0.00 0.02 0.00 0.00 54.13 55.96 1cnb s LEU 44 Cb 0.16 -3.55 -0.04 0.00 0.02 0.00 0.00 46.19 42.78 1cnb s LEU 44 CO 0.26 -0.61 0.74 -0.54 0.02 0.00 0.00 176.35 176.22 1cnb s LYS 45 N 2.79 3.60 0.63 1.70 1.02 -1.24 -4.99 119.74 123.25 1cnb s LYS 45 Ca 0.49 0.20 -0.18 0.00 0.02 0.00 0.00 55.97 56.50 1cnb s LYS 45 Cb -0.18 -2.43 -0.01 0.00 -0.52 0.00 0.00 37.83 34.69 1cnb s LYS 45 CO 0.13 -0.10 1.22 -2.14 -0.92 0.00 0.00 175.35 173.54 1cnb s PRO 46 N -4.38 2.72 0.52 -1.68 0.02 -1.26 -2.55 135.00 128.38 1cnb s PRO 46 Ca 0.47 1.83 -0.19 0.00 0.02 0.00 0.00 61.00 63.13 1cnb s PRO 46 Cb -0.10 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.45 1cnb s PRO 46 CO 0.40 -1.41 1.05 -0.51 -0.33 0.00 0.00 177.00 176.20 1cnb s LEU 47 N -4.39 3.74 -0.26 -5.54 1.43 -1.26 -1.54 118.68 110.86 1cnb s LEU 47 Ca 0.77 1.91 -0.01 0.00 -1.03 0.00 0.00 54.13 55.77 1cnb s LEU 47 Cb -0.31 -4.55 0.08 0.00 0.03 0.00 0.00 46.19 41.44 1cnb s LEU 47 CO 0.37 -0.91 0.05 -0.55 0.23 0.00 0.00 176.35 175.53 1cnb s SER 48 N -2.21 3.65 -0.35 2.29 0.15 0.11 -4.87 113.70 112.48 1cnb s SER 48 Ca 0.66 -1.29 -0.05 0.00 0.70 0.00 0.00 55.95 55.98 1cnb s SER 48 Cb -0.17 -0.86 0.06 0.00 -1.71 0.00 0.00 66.02 63.34 1cnb s SER 48 CO 0.25 -0.34 0.11 -0.69 1.20 0.00 0.00 173.24 173.77 1cnb s VAL 49 N 1.63 3.49 -0.69 4.45 1.01 -1.26 -0.96 120.40 128.06 1cnb s VAL 49 Ca 0.03 -1.41 -0.07 0.00 0.00 0.00 0.00 61.98 60.53 1cnb s VAL 49 Cb -0.18 -3.07 0.18 0.00 0.00 0.00 0.00 36.38 33.31 1cnb s VAL 49 CO -0.15 -0.28 0.55 -0.44 0.00 0.00 0.00 175.10 174.78 1cnb s SER 50 N 1.51 5.82 0.00 3.32 0.01 0.74 -4.87 113.70 120.24 1cnb s SER 50 Ca -0.01 -2.72 0.04 0.00 1.31 0.00 0.00 55.95 54.57 1cnb s SER 50 Cb -0.21 -2.00 0.10 0.00 0.21 0.00 0.00 66.02 64.13 1cnb s SER 50 CO 0.00 -0.47 1.05 -1.22 0.41 0.00 0.00 173.24 173.01 1cnb n TYR 51 N 3.78 0.15 0.28 2.43 4.01 -1.26 -0.19 117.16 126.35 1cnb n TYR 51 Ca 0.09 -0.45 0.13 0.00 -0.16 0.00 0.00 57.90 57.50 1cnb n TYR 51 Cb 0.41 -0.04 0.81 0.00 -0.31 0.00 0.00 39.34 40.22 1cnb n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1cnb h ASP 52 N 0.73 0.00 -0.47 7.72 2.03 -1.90 -2.29 116.42 122.24 1cnb h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1cnb h ASP 52 Cb 0.54 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 1cnb h ASP 52 CO 0.00 0.02 0.00 1.67 -1.03 0.00 0.00 179.24 179.90 1cnb n GLN 53 N -4.03 4.19 -2.13 4.15 -0.06 -1.25 -5.02 117.38 113.24 1cnb n GLN 53 Ca -0.03 -3.05 -0.36 0.00 -2.00 0.00 0.00 57.00 51.56 1cnb n GLN 53 Cb 0.10 -2.11 0.01 0.00 -4.06 0.00 0.00 30.24 24.19 1cnb n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1cnb s ALA 54 N -2.76 2.71 -0.21 1.69 0.00 -0.86 -4.63 121.76 117.69 1cnb s ALA 54 Ca 0.50 0.96 -0.01 0.00 0.00 0.00 0.00 51.96 53.41 1cnb s ALA 54 Cb 0.39 -3.42 0.06 0.00 0.00 0.00 0.00 23.12 20.15 1cnb s ALA 54 CO 0.14 -0.94 -0.00 0.99 0.00 0.00 0.00 175.76 175.95 1cnb s THR 55 N -1.61 0.96 0.22 0.00 2.01 -1.26 -4.89 115.64 111.07 1cnb s THR 55 Ca 0.72 -0.86 -0.11 0.00 0.31 0.00 0.00 61.69 61.75 1cnb s THR 55 Cb -0.29 -1.37 -0.07 0.00 0.01 0.00 0.00 72.50 70.78 1cnb s THR 55 CO 0.33 -0.18 0.57 -0.94 -0.69 0.00 0.00 174.62 173.71 1cnb s SER 56 N 1.66 6.69 -0.05 3.53 1.04 -1.26 -2.24 113.70 123.06 1cnb s SER 56 Ca -0.03 1.00 -0.05 0.00 0.48 0.00 0.00 55.95 57.35 1cnb s SER 56 Cb -0.18 -2.26 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 1cnb s SER 56 CO -0.08 -0.05 -0.12 0.18 0.98 0.00 0.00 173.24 174.16 1cnb n LEU 57 N 0.04 0.94 -3.80 2.42 4.77 -0.21 -3.89 117.00 117.27 1cnb n LEU 57 Ca -0.00 0.15 -0.04 0.00 -0.03 0.00 0.00 56.01 56.08 1cnb n LEU 57 Cb 0.52 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1cnb n LEU 57 CO 0.44 -0.12 0.70 0.00 -1.33 0.00 0.00 177.39 177.08 1cnb s ARG 58 N -2.22 1.38 -0.02 3.23 1.04 -1.20 0.86 118.95 122.02 1cnb s ARG 58 Ca -0.12 -0.81 0.05 0.00 -1.04 0.00 0.00 55.73 53.82 1cnb s ARG 58 Cb 0.04 0.44 -0.01 0.00 -2.04 0.00 0.00 34.95 33.37 1cnb s ARG 58 CO 0.15 -0.64 -0.18 -1.50 -0.04 0.00 0.00 175.30 173.10 1cnb s ILE 59 N -3.03 1.42 0.07 4.99 2.07 -0.82 0.19 121.20 126.09 1cnb s ILE 59 Ca 0.14 -0.76 -0.07 0.00 -1.41 0.00 0.00 60.65 58.56 1cnb s ILE 59 Cb -0.02 -1.19 -0.01 0.00 0.13 0.00 0.00 42.46 41.37 1cnb s ILE 59 CO 0.04 0.40 0.14 -1.48 -1.91 0.00 0.00 174.94 172.14 1cnb s LEU 60 N -0.33 1.66 -0.40 8.50 2.34 -0.09 -1.65 118.68 128.71 1cnb s LEU 60 Ca 0.05 -0.69 -0.09 0.00 0.06 0.00 0.00 54.13 53.45 1cnb s LEU 60 Cb -0.08 0.84 0.07 0.00 -0.56 0.00 0.00 46.19 46.46 1cnb s LEU 60 CO -0.00 -0.68 0.23 0.21 -1.06 0.00 0.00 176.35 175.05 1cnb s ASN 61 N -2.78 5.61 0.00 1.48 3.84 -0.63 -0.71 114.94 121.76 1cnb s ASN 61 Ca 0.04 -1.40 0.23 0.00 0.21 0.00 0.00 52.86 51.94 1cnb s ASN 61 Cb 0.05 -1.98 0.75 0.00 -0.55 0.00 0.00 41.25 39.53 1cnb s ASN 61 CO -0.10 -0.49 1.56 -0.46 -2.79 0.00 0.00 177.10 174.82 1cnb n ASN 62 N 4.91 1.93 0.00 -4.21 0.23 -0.89 -0.82 115.26 116.41 1cnb n ASN 62 Ca -0.10 -1.70 0.00 0.00 -0.53 0.00 0.00 54.58 52.24 1cnb n ASN 62 Cb 0.43 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 1cnb n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cnb n GLY 63 N 1.20 0.55 0.00 4.83 0.00 -1.26 -4.81 105.19 105.69 1cnb n GLY 63 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1cnb n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1cnb n HIS 64 N -2.00 0.00 -0.25 1.61 -0.00 -1.26 -4.64 115.22 108.67 1cnb n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1cnb n HIS 64 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1cnb n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1cnb n ALA 65 N -0.28 0.00 -2.61 1.59 0.00 -1.26 -4.86 120.51 113.08 1cnb n ALA 65 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1cnb n ALA 65 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 1cnb n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1cnb s PHE 66 N -2.08 2.15 -0.05 0.00 -0.12 -1.26 -2.09 117.98 114.53 1cnb s PHE 66 Ca 0.00 -0.54 0.05 0.00 -0.05 0.00 0.00 56.93 56.39 1cnb s PHE 66 Cb 0.00 -1.41 -0.02 0.00 -0.63 0.00 0.00 43.02 40.96 1cnb s PHE 66 CO 0.00 -0.13 -0.19 -0.80 -0.05 0.00 0.00 175.22 174.05 1cnb s ASN 67 N -0.29 3.62 -0.23 1.98 0.02 0.11 -4.06 114.94 116.10 1cnb s ASN 67 Ca 0.02 -0.32 -0.06 0.00 -1.02 0.00 0.00 52.86 51.47 1cnb s ASN 67 Cb -0.11 -0.73 -0.03 0.00 0.02 0.00 0.00 41.25 40.40 1cnb s ASN 67 CO 0.01 0.32 0.04 -0.69 0.02 0.00 0.00 177.10 176.80 1cnb s VAL 68 N -0.57 4.16 0.07 1.60 1.01 -0.42 -0.91 120.40 125.34 1cnb s VAL 68 Ca 0.08 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1cnb s VAL 68 Cb -0.11 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1cnb s VAL 68 CO 0.01 0.38 0.19 -1.61 0.00 0.00 0.00 175.10 174.06 1cnb s GLU 69 N 1.31 3.31 0.13 2.72 2.02 0.49 -2.26 118.70 126.43 1cnb s GLU 69 Ca 0.05 -0.51 0.08 0.00 0.02 0.00 0.00 54.97 54.60 1cnb s GLU 69 Cb -0.15 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 1cnb s GLU 69 CO 0.02 0.59 -0.18 -0.06 0.02 0.00 0.00 175.26 175.66 1cnb s PHE 70 N -1.50 1.68 -0.52 1.61 0.40 0.33 -1.04 117.98 118.93 1cnb s PHE 70 Ca 0.34 -0.47 -0.29 0.00 -0.60 0.00 0.00 56.93 55.91 1cnb s PHE 70 Cb -0.13 -0.87 0.03 0.00 0.51 0.00 0.00 43.02 42.56 1cnb s PHE 70 CO 0.27 0.24 1.23 0.34 0.70 0.00 0.00 175.22 177.99 1cnb s ASP 71 N -2.34 6.46 -0.42 1.36 2.15 -0.95 -4.77 116.67 118.17 1cnb s ASP 71 Ca 0.10 0.35 0.05 0.00 0.43 0.00 0.00 52.55 53.48 1cnb s ASP 71 Cb -0.07 -2.55 0.44 0.00 -0.30 0.00 0.00 42.92 40.44 1cnb s ASP 71 CO 0.05 -1.42 1.37 -0.90 -0.17 0.00 0.00 175.17 174.10 1cnb n ASP 72 N 8.41 5.52 0.10 -0.34 5.75 -1.26 -4.60 116.55 130.12 1cnb n ASP 72 Ca 0.11 -3.76 0.12 0.00 -0.01 0.00 0.00 54.79 51.25 1cnb n ASP 72 Cb 0.49 -0.52 0.07 0.00 -1.03 0.00 0.00 41.12 40.14 1cnb n ASP 72 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1cnb h SER 73 N 2.28 0.00 -5.33 -1.12 4.64 -1.94 -3.47 113.55 108.60 1cnb h SER 73 Ca 0.41 -0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.50 1cnb h SER 73 Cb 1.20 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.14 1cnb h SER 73 CO 0.96 0.04 -0.63 -1.10 -0.87 0.00 0.00 176.83 175.24 1cnb s GLN 74 N -3.28 0.81 -1.18 4.77 -0.21 -1.26 -5.06 119.66 114.24 1cnb s GLN 74 Ca 0.03 -1.31 -0.18 0.00 0.02 0.00 0.00 55.36 53.91 1cnb s GLN 74 Cb 0.10 0.24 -0.03 0.00 1.00 0.00 0.00 33.01 34.33 1cnb s GLN 74 CO 0.76 -0.21 2.01 -0.25 -2.12 0.00 0.00 175.29 175.47 1cnb n ASP 75 N -0.02 3.55 -0.10 5.90 9.92 -1.26 -4.54 116.55 130.00 1cnb n ASP 75 Ca -0.09 -2.79 -0.24 0.00 -0.53 0.00 0.00 54.79 51.14 1cnb n ASP 75 Cb 0.63 -1.52 -0.11 0.00 -0.64 0.00 0.00 41.12 39.47 1cnb n ASP 75 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1cnb n LYS 76 N 7.09 0.62 -3.95 -1.24 5.02 -1.26 -4.83 118.16 119.60 1cnb n LYS 76 Ca 0.50 0.35 -0.31 0.00 -2.02 0.00 0.00 58.31 56.83 1cnb n LYS 76 Cb 0.42 -1.62 -0.15 0.00 -0.02 0.00 0.00 35.03 33.66 1cnb n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cnb s ALA 77 N -2.47 2.21 0.14 7.82 0.00 -1.26 -3.75 121.76 124.44 1cnb s ALA 77 Ca -0.32 -1.71 0.05 0.00 0.00 0.00 0.00 51.96 49.97 1cnb s ALA 77 Cb 0.10 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 1cnb s ALA 77 CO 0.58 -1.36 -0.11 0.14 0.00 0.00 0.00 175.76 175.01 1cnb s VAL 78 N 1.27 1.19 -0.06 0.00 -7.23 0.73 -1.27 120.40 115.02 1cnb s VAL 78 Ca -0.01 -1.92 0.03 0.00 -1.81 0.00 0.00 61.98 58.28 1cnb s VAL 78 Cb -0.19 -1.70 0.01 0.00 0.56 0.00 0.00 36.38 35.06 1cnb s VAL 78 CO -0.09 -0.63 -0.15 -0.22 -0.31 0.00 0.00 175.10 173.70 1cnb s LEU 79 N -2.89 1.79 0.35 1.32 0.20 0.42 -0.18 118.68 119.69 1cnb s LEU 79 Ca 0.13 -0.35 -0.09 0.00 0.69 0.00 0.00 54.13 54.51 1cnb s LEU 79 Cb -0.00 -0.95 0.02 0.00 -0.43 0.00 0.00 46.19 44.82 1cnb s LEU 79 CO 0.01 0.09 0.59 -1.59 -0.29 0.00 0.00 176.35 175.16 1cnb s LYS 80 N 0.44 1.98 1.85 1.98 -2.85 -0.14 -1.24 119.74 121.77 1cnb s LYS 80 Ca -0.12 -1.57 0.00 0.00 -1.00 0.00 0.00 55.97 53.28 1cnb s LYS 80 Cb -0.15 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 1cnb s LYS 80 CO 0.04 -0.87 0.00 0.41 0.10 0.00 0.00 175.35 175.04 1cnb n GLY 81 N -0.53 -1.36 7.00 0.59 0.00 -1.26 -0.71 105.19 108.92 1cnb n GLY 81 Ca -0.03 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1cnb n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cnb n GLY 82 N 0.00 1.91 0.39 -0.02 0.00 -0.59 -2.07 105.19 104.82 1cnb n GLY 82 Ca 0.00 -0.56 0.14 0.00 0.00 0.00 0.00 46.02 45.60 1cnb n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cnb n PRO 83 N 13.12 1.43 -2.92 1.61 -0.04 -1.26 -3.70 135.00 143.24 1cnb n PRO 83 Ca 0.00 -0.79 -0.37 0.00 -0.04 0.00 0.00 63.50 62.31 1cnb n PRO 83 Cb 0.00 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 1cnb n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1cnb s LEU 84 N -2.11 4.36 -0.22 1.53 1.43 -0.88 -5.07 118.68 117.72 1cnb s LEU 84 Ca 0.36 1.66 0.01 0.00 -1.03 0.00 0.00 54.13 55.13 1cnb s LEU 84 Cb 0.21 -3.80 0.03 0.00 0.03 0.00 0.00 46.19 42.66 1cnb s LEU 84 CO 0.38 -0.01 -0.14 -1.81 0.23 0.00 0.00 176.35 175.00 1cnb s ASP 85 N -1.60 3.83 0.00 2.29 1.01 -1.26 -4.39 116.67 116.55 1cnb s ASP 85 Ca 0.46 -0.93 0.00 0.00 0.71 0.00 0.00 52.55 52.79 1cnb s ASP 85 Cb -0.18 -1.55 0.00 0.00 1.01 0.00 0.00 42.92 42.20 1cnb s ASP 85 CO 0.23 -0.09 0.00 0.61 0.21 0.00 0.00 175.17 176.13 1cnb n GLY 86 N 4.57 -2.90 3.80 0.21 0.00 -1.26 -4.96 105.19 104.66 1cnb n GLY 86 Ca -0.18 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 1cnb n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cnb s THR 87 N -0.63 5.44 -0.13 2.61 2.01 -1.26 -4.62 115.64 119.06 1cnb s THR 87 Ca 0.00 0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.25 1cnb s THR 87 Cb 0.00 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 69.06 1cnb s THR 87 CO 0.00 0.52 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.94 1cnb s TYR 88 N -0.30 2.67 -0.14 4.92 1.51 -0.38 -1.77 117.35 123.85 1cnb s TYR 88 Ca 0.12 -1.11 -0.14 0.00 -1.01 0.00 0.00 57.07 54.93 1cnb s TYR 88 Cb -0.12 -1.80 -0.05 0.00 -0.11 0.00 0.00 41.96 39.89 1cnb s TYR 88 CO 0.01 -0.48 0.31 1.03 -1.11 0.00 0.00 175.55 175.31 1cnb s ARG 89 N 0.60 4.20 0.07 -0.62 0.52 -0.55 -0.44 118.95 122.74 1cnb s ARG 89 Ca -0.11 0.13 -0.31 0.00 -0.52 0.00 0.00 55.73 54.92 1cnb s ARG 89 Cb -0.16 -3.40 -0.08 0.00 0.52 0.00 0.00 34.95 31.82 1cnb s ARG 89 CO 0.03 0.29 1.69 -1.17 0.02 0.00 0.00 175.30 176.16 1cnb s LEU 90 N 0.31 4.37 -0.06 2.53 2.96 -0.40 -1.53 118.68 126.86 1cnb s LEU 90 Ca 0.18 2.52 0.01 0.00 -0.22 0.00 0.00 54.13 56.61 1cnb s LEU 90 Cb -0.13 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1cnb s LEU 90 CO 0.05 -0.91 -0.05 0.00 -1.32 0.00 0.00 176.35 174.12 1cnb n ILE 91 N 4.80 0.33 -3.79 6.68 3.06 -0.85 -4.51 119.36 125.08 1cnb n ILE 91 Ca 0.16 -0.13 -0.04 0.00 -2.50 0.00 0.00 62.75 60.24 1cnb n ILE 91 Cb 0.40 -0.71 -0.01 0.00 0.54 0.00 0.00 39.64 39.86 1cnb n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1cnb s GLN 92 N -2.11 1.37 -0.01 9.51 1.03 -1.22 -0.51 119.66 127.71 1cnb s GLN 92 Ca -0.08 -0.77 -0.07 0.00 0.04 0.00 0.00 55.36 54.49 1cnb s GLN 92 Cb 0.02 0.46 0.00 0.00 0.03 0.00 0.00 33.01 33.52 1cnb s GLN 92 CO 0.13 -0.63 0.14 -0.59 -2.54 0.00 0.00 175.29 171.81 1cnb s PHE 93 N -3.36 -0.00 0.29 9.60 -0.12 -0.96 0.24 117.98 123.67 1cnb s PHE 93 Ca 0.12 -0.01 -0.10 0.00 -0.05 0.00 0.00 56.93 56.89 1cnb s PHE 93 Cb -0.03 -0.03 0.00 0.00 -0.63 0.00 0.00 43.02 42.34 1cnb s PHE 93 CO 0.04 -0.24 0.51 0.00 -0.05 0.00 0.00 175.22 175.47 1cnb s PHE 95 N -3.53 1.73 -0.07 0.00 0.40 -1.26 -1.13 117.98 114.13 1cnb s PHE 95 Ca 0.24 -0.80 0.01 0.00 -0.60 0.00 0.00 56.93 55.77 1cnb s PHE 95 Cb -0.01 -0.99 0.02 0.00 0.51 0.00 0.00 43.02 42.55 1cnb s PHE 95 CO 0.13 0.12 -0.06 -1.01 0.70 0.00 0.00 175.22 175.11 1cnb s HIS 96 N -3.21 1.01 0.23 0.36 3.76 -0.62 -4.67 115.29 112.14 1cnb s HIS 96 Ca 0.28 -0.37 -0.03 0.00 -0.15 0.00 0.00 55.06 54.79 1cnb s HIS 96 Cb 0.05 -0.88 -0.03 0.00 1.11 0.00 0.00 32.58 32.83 1cnb s HIS 96 CO 0.10 -0.30 0.24 1.67 -0.85 0.00 0.00 174.74 175.60 1cnb s TRP 97 N 1.23 1.01 0.27 1.40 -2.14 -1.24 -0.25 118.94 119.22 1cnb s TRP 97 Ca -0.05 -1.24 0.01 0.00 2.66 0.00 0.00 56.10 57.47 1cnb s TRP 97 Cb -0.14 -0.37 0.01 0.00 -3.10 0.00 0.00 33.47 29.87 1cnb s TRP 97 CO -0.02 -0.77 0.07 0.41 -2.66 0.00 0.00 176.95 173.98 1cnb n GLY 98 N -0.34 3.55 0.09 3.67 0.00 -1.14 -0.92 105.19 110.10 1cnb n GLY 98 Ca 0.02 -2.27 -0.07 0.00 0.00 0.00 0.00 46.02 43.69 1cnb n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1cnb h SER 99 N 0.53 0.08 -2.96 1.61 4.64 -1.89 -3.38 113.55 112.17 1cnb h SER 99 Ca -0.20 -0.07 -0.49 0.00 -0.47 0.00 0.00 61.79 60.55 1cnb h SER 99 Cb 0.65 -0.02 -0.14 0.00 -0.31 0.00 0.00 62.40 62.58 1cnb h SER 99 CO 0.33 0.97 -0.65 -0.76 -0.87 0.00 0.00 176.83 175.85 1cnb s LEU 100 N -7.01 2.41 0.44 5.97 2.01 -1.26 -5.03 118.68 116.21 1cnb s LEU 100 Ca -0.00 -1.26 0.30 0.00 0.01 0.00 0.00 54.13 53.18 1cnb s LEU 100 Cb 0.10 -0.57 1.25 0.00 0.01 0.00 0.00 46.19 46.98 1cnb s LEU 100 CO 0.82 -0.44 1.89 0.44 1.01 0.00 0.00 176.35 180.07 1cnb h ASP 101 N 2.20 0.00 -0.02 2.29 3.32 -1.90 -2.90 116.42 119.41 1cnb h ASP 101 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1cnb h ASP 101 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1cnb h ASP 101 CO 0.69 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.82 1cnb n GLY 102 N -0.01 -0.72 3.31 2.75 0.00 -1.26 -3.50 105.19 105.76 1cnb n GLY 102 Ca 0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1cnb n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1cnb s GLN 103 N -1.98 1.07 0.00 1.61 -2.07 -1.10 -4.74 119.66 112.45 1cnb s GLN 103 Ca 0.40 -1.05 0.00 0.00 -1.82 0.00 0.00 55.36 52.90 1cnb s GLN 103 Cb 0.19 0.38 0.00 0.00 -1.09 0.00 0.00 33.01 32.50 1cnb s GLN 103 CO 0.32 -0.39 0.00 0.41 -1.32 0.00 0.00 175.29 174.31 1cnb n GLY 104 N -0.18 3.51 3.70 2.60 0.00 -1.12 -2.88 105.19 110.82 1cnb n GLY 104 Ca -0.11 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 1cnb n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cnb s SER 105 N -0.05 3.15 -0.23 1.61 1.04 -0.49 -3.61 113.70 115.11 1cnb s SER 105 Ca 0.00 1.38 -0.14 0.00 0.48 0.00 0.00 55.95 57.67 1cnb s SER 105 Cb 0.00 -2.06 -0.09 0.00 0.10 0.00 0.00 66.02 63.97 1cnb s SER 105 CO 0.00 -2.83 -0.33 -0.62 0.98 0.00 0.00 173.24 170.44 1cnb n GLU 106 N -4.00 0.53 -2.70 4.02 1.02 -1.26 -4.85 120.64 113.40 1cnb n GLU 106 Ca 0.06 0.23 -0.33 0.00 -0.02 0.00 0.00 57.16 57.10 1cnb n GLU 106 Cb 0.56 -1.40 -0.06 0.00 -0.02 0.00 0.00 31.44 30.52 1cnb n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1cnb s HIS 107 N -2.59 3.26 0.10 -0.32 3.76 -1.26 -4.48 115.29 113.76 1cnb s HIS 107 Ca -0.33 1.59 0.06 0.00 -0.15 0.00 0.00 55.06 56.22 1cnb s HIS 107 Cb 0.11 -2.89 -0.03 0.00 1.11 0.00 0.00 32.58 30.88 1cnb s HIS 107 CO 0.44 -0.29 -0.15 0.95 -0.85 0.00 0.00 174.74 174.84 1cnb s THR 108 N -2.20 1.27 -0.28 1.30 -4.23 -1.16 -4.75 115.64 105.59 1cnb s THR 108 Ca 0.63 -1.52 0.01 0.00 -1.18 0.00 0.00 61.69 59.63 1cnb s THR 108 Cb -0.11 -1.33 0.06 0.00 1.34 0.00 0.00 72.50 72.46 1cnb s THR 108 CO 0.17 -0.29 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.20 1cnb s VAL 109 N -1.66 2.47 -1.78 2.29 1.01 -0.74 -0.23 120.40 121.75 1cnb s VAL 109 Ca 0.04 -1.56 -0.00 0.00 0.00 0.00 0.00 61.98 60.46 1cnb s VAL 109 Cb -0.08 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1cnb s VAL 109 CO 0.03 -0.07 0.03 0.47 0.00 0.00 0.00 175.10 175.56 1cnb n ASP 110 N 4.50 -5.96 0.00 3.32 8.00 0.86 -0.73 116.55 126.55 1cnb n ASP 110 Ca -0.13 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1cnb n ASP 110 Cb 0.42 -4.95 0.00 0.00 -0.02 0.00 0.00 41.12 36.57 1cnb n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cnb n LYS 111 N -3.07 0.00 -2.88 -1.24 4.76 -1.26 -5.02 118.16 109.45 1cnb n LYS 111 Ca -0.24 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.79 1cnb n LYS 111 Cb 0.69 -2.65 -0.04 0.00 -1.84 0.00 0.00 35.03 31.18 1cnb n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1cnb s LYS 112 N -0.02 4.54 -0.13 1.97 2.20 0.10 -5.02 119.74 123.37 1cnb s LYS 112 Ca 0.00 1.19 -0.05 0.00 -0.36 0.00 0.00 55.97 56.75 1cnb s LYS 112 Cb 0.00 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 1cnb s LYS 112 CO 0.00 0.14 0.06 0.15 -0.36 0.00 0.00 175.35 175.34 1cnb s LYS 113 N 0.39 3.48 0.36 4.03 1.02 -1.26 -1.79 119.74 125.96 1cnb s LYS 113 Ca 0.43 -0.32 0.06 0.00 0.02 0.00 0.00 55.97 56.16 1cnb s LYS 113 Cb -0.21 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 34.05 1cnb s LYS 113 CO 0.25 0.55 0.51 0.71 -0.92 0.00 0.00 175.35 176.44 1cnb s TYR 114 N -0.43 3.10 0.32 3.18 1.51 -1.26 -4.69 117.35 119.08 1cnb s TYR 114 Ca 0.09 -0.17 -0.00 0.00 -1.01 0.00 0.00 57.07 55.98 1cnb s TYR 114 Cb -0.12 -2.07 0.52 0.00 -0.11 0.00 0.00 41.96 40.18 1cnb s TYR 114 CO 0.02 -0.10 1.97 0.00 -1.11 0.00 0.00 175.55 176.33 1cnb h ALA 115 N 0.80 1.48 -3.00 3.71 0.00 -1.48 -1.27 119.26 119.50 1cnb h ALA 115 Ca -0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1cnb h ALA 115 Cb 1.26 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1cnb h ALA 115 CO 0.53 0.47 0.26 0.00 0.00 0.00 0.00 179.25 180.50 1cnb s ALA 116 N -5.86 -0.72 -0.15 0.00 0.00 -1.12 -3.48 121.76 110.43 1cnb s ALA 116 Ca -0.11 -0.75 -0.08 0.00 0.00 0.00 0.00 51.96 51.02 1cnb s ALA 116 Cb 0.18 0.70 0.05 0.00 0.00 0.00 0.00 23.12 24.05 1cnb s ALA 116 CO 0.79 -0.98 0.36 -2.00 0.00 0.00 0.00 175.76 173.92 1cnb s GLU 117 N -2.41 0.34 -0.22 0.00 2.12 0.65 -2.13 118.70 117.05 1cnb s GLU 117 Ca 0.16 0.70 -0.11 0.00 0.36 0.00 0.00 54.97 56.08 1cnb s GLU 117 Cb -0.05 -0.05 -0.05 0.00 0.26 0.00 0.00 34.13 34.24 1cnb s GLU 117 CO 0.11 -0.16 0.19 -1.17 -0.54 0.00 0.00 175.26 173.70 1cnb s LEU 118 N 1.32 4.15 -0.15 2.70 2.96 -0.38 -1.59 118.68 127.71 1cnb s LEU 118 Ca -0.09 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 1cnb s LEU 118 Cb -0.09 -2.17 0.01 0.00 0.50 0.00 0.00 46.19 44.44 1cnb s LEU 118 CO -0.11 0.08 -0.22 -1.00 -1.32 0.00 0.00 176.35 173.78 1cnb s HIS 119 N 0.87 2.69 -0.37 5.38 3.76 -0.28 -1.44 115.29 125.90 1cnb s HIS 119 Ca 0.10 -1.39 -0.13 0.00 -0.15 0.00 0.00 55.06 53.49 1cnb s HIS 119 Cb -0.13 -1.83 0.00 0.00 1.11 0.00 0.00 32.58 31.73 1cnb s HIS 119 CO 0.03 -0.64 0.25 -0.51 -0.85 0.00 0.00 174.74 173.02 1cnb s LEU 120 N 0.89 4.71 -0.08 0.89 1.02 -0.05 -2.07 118.68 123.98 1cnb s LEU 120 Ca -0.05 -0.67 -0.18 0.00 0.02 0.00 0.00 54.13 53.26 1cnb s LEU 120 Cb -0.15 -2.12 -0.05 0.00 0.02 0.00 0.00 46.19 43.89 1cnb s LEU 120 CO -0.04 -0.32 0.47 -0.69 0.02 0.00 0.00 176.35 175.79 1cnb s VAL 121 N 1.68 5.13 0.04 -1.59 1.01 0.14 -1.06 120.40 125.74 1cnb s VAL 121 Ca 0.05 0.95 0.04 0.00 0.00 0.00 0.00 61.98 63.02 1cnb s VAL 121 Cb -0.18 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1cnb s VAL 121 CO 0.09 0.39 -0.11 -1.00 0.00 0.00 0.00 175.10 174.47 1cnb s HIS 122 N 0.21 0.92 0.00 5.22 3.76 -0.24 -2.00 115.29 123.16 1cnb s HIS 122 Ca 0.26 -0.41 0.06 0.00 -0.15 0.00 0.00 55.06 54.82 1cnb s HIS 122 Cb -0.16 -0.54 -0.02 0.00 1.11 0.00 0.00 32.58 32.97 1cnb s HIS 122 CO 0.11 -0.01 -0.18 1.67 -0.85 0.00 0.00 174.74 175.48 1cnb s TRP 123 N -1.09 1.61 -0.16 1.40 1.48 -0.58 -1.68 118.94 119.92 1cnb s TRP 123 Ca -0.04 -0.32 -0.30 0.00 -1.06 0.00 0.00 56.10 54.38 1cnb s TRP 123 Cb -0.09 -1.01 -0.07 0.00 -1.16 0.00 0.00 33.47 31.14 1cnb s TRP 123 CO 0.01 0.01 2.13 -1.71 -4.06 0.00 0.00 176.95 173.33 1cnb n ASN 124 N 2.39 3.36 0.12 -2.66 2.85 -0.33 -1.48 115.26 119.51 1cnb n ASN 124 Ca -0.16 0.45 0.10 0.00 -0.11 0.00 0.00 54.58 54.86 1cnb n ASN 124 Cb 0.54 -1.50 0.46 0.00 1.24 0.00 0.00 39.78 40.52 1cnb n ASN 124 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1cnb n THR 125 N 6.95 1.09 0.22 -0.44 -2.24 -0.73 -2.15 114.28 116.98 1cnb n THR 125 Ca 0.28 0.50 0.07 0.00 -2.27 0.00 0.00 64.05 62.64 1cnb n THR 125 Cb 0.40 -1.46 0.51 0.00 -2.10 0.00 0.00 70.33 67.69 1cnb n THR 125 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1cnb h LYS 127 N 0.00 0.00 -0.10 -0.78 2.10 -1.90 -2.71 116.57 113.18 1cnb h LYS 127 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1cnb h LYS 127 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1cnb h LYS 127 CO 0.00 0.25 0.00 0.66 -2.00 0.00 0.00 179.45 178.36 1cnb n TYR 128 N -3.87 0.13 0.00 0.07 4.01 -0.92 -4.99 117.16 111.59 1cnb n TYR 128 Ca -0.02 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1cnb n TYR 128 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 1cnb n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cnb n GLY 129 N 1.13 0.72 3.36 2.72 0.00 -1.02 -4.58 105.19 107.52 1cnb n GLY 129 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1cnb n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1cnb s ASP 130 N 0.00 0.07 0.12 1.61 1.47 -1.26 -5.02 116.67 113.65 1cnb s ASP 130 Ca 0.00 -1.20 -0.19 0.00 1.18 0.00 0.00 52.55 52.34 1cnb s ASP 130 Cb 0.00 0.47 -0.05 0.00 -0.34 0.00 0.00 42.92 43.00 1cnb s ASP 130 CO 0.00 -0.97 1.73 0.15 0.68 0.00 0.00 175.17 176.76 1cnb h PHE 131 N 2.46 0.36 -0.02 2.11 3.57 -1.94 -3.11 116.94 120.37 1cnb h PHE 131 Ca -0.32 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.18 1cnb h PHE 131 Cb 1.25 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.87 1cnb h PHE 131 CO 0.39 0.29 0.04 0.78 -2.23 0.00 0.00 178.31 177.59 1cnb h GLY 132 N 0.32 0.00 0.78 2.40 0.00 -1.98 -2.68 103.07 101.92 1cnb h GLY 132 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.11 1cnb h GLY 132 CO -0.02 0.00 -1.85 0.28 0.00 0.00 0.00 176.54 174.95 1cnb n LYS 133 N -3.39 0.66 -0.06 4.80 4.76 -1.18 -4.16 118.16 119.58 1cnb n LYS 133 Ca -0.02 0.25 -0.06 0.00 -2.87 0.00 0.00 58.31 55.60 1cnb n LYS 133 Cb 0.12 -1.74 0.13 0.00 -1.84 0.00 0.00 35.03 31.70 1cnb n LYS 133 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cnb h ALA 134 N 0.86 0.96 0.00 7.82 0.00 -1.43 -2.41 119.26 125.06 1cnb h ALA 134 Ca -0.35 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1cnb h ALA 134 Cb 2.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1cnb h ALA 134 CO 0.07 0.61 0.00 1.33 0.00 0.00 0.00 179.25 181.26 1cnb n VAL 135 N -4.12 0.00 0.44 0.00 0.24 -1.04 -0.82 118.33 113.03 1cnb n VAL 135 Ca 0.00 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.36 1cnb n VAL 135 Cb 0.41 -0.22 0.06 0.00 -1.47 0.00 0.00 33.84 32.62 1cnb n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cnb n GLN 136 N -0.56 0.81 -4.66 7.34 6.02 -0.91 -4.88 117.38 120.54 1cnb n GLN 136 Ca 0.02 -1.27 -0.29 0.00 -0.01 0.00 0.00 57.00 55.45 1cnb n GLN 136 Cb 0.01 -1.23 -0.14 0.00 1.02 0.00 0.00 30.24 29.90 1cnb n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1cnb s GLN 137 N -0.99 1.58 0.55 -1.09 -1.52 -0.00 -5.03 119.66 113.16 1cnb s GLN 137 Ca 0.15 -1.18 0.28 0.00 -1.95 0.00 0.00 55.36 52.66 1cnb s GLN 137 Cb 0.10 -1.87 1.63 0.00 -0.22 0.00 0.00 33.01 32.65 1cnb s GLN 137 CO 0.15 0.47 2.16 -1.35 -0.25 0.00 0.00 175.29 176.47 1cnb h PRO 138 N 4.43 0.00 0.00 2.91 0.11 -1.84 -2.08 132.00 135.54 1cnb h PRO 138 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1cnb h PRO 138 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1cnb h PRO 138 CO 0.42 0.06 -0.27 -0.40 -0.21 0.00 0.00 178.00 177.60 1cnb n ASP 139 N -3.74 2.00 -0.16 -2.05 5.75 -1.26 -4.37 116.55 112.72 1cnb n ASP 139 Ca -0.02 -3.53 -0.09 0.00 -0.01 0.00 0.00 54.79 51.14 1cnb n ASP 139 Cb 0.16 -0.48 0.05 0.00 -1.03 0.00 0.00 41.12 39.83 1cnb n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1cnb h GLY 140 N 0.54 1.03 -2.26 6.12 0.00 -1.26 -3.43 103.07 103.81 1cnb h GLY 140 Ca -0.00 -0.81 -0.53 0.00 0.00 0.00 0.00 47.33 46.00 1cnb h GLY 140 CO 0.00 0.74 -0.71 1.08 0.00 0.00 0.00 176.54 177.65 1cnb s LEU 141 N -9.14 2.56 -0.05 3.11 1.43 -0.57 -1.19 118.68 114.83 1cnb s LEU 141 Ca -0.11 -1.12 -0.01 0.00 -1.03 0.00 0.00 54.13 51.86 1cnb s LEU 141 Cb 0.13 -0.80 0.03 0.00 0.03 0.00 0.00 46.19 45.58 1cnb s LEU 141 CO 0.85 -0.20 0.02 0.00 0.23 0.00 0.00 176.35 177.25 1cnb s ALA 142 N -2.84 0.48 -0.11 4.21 0.00 -0.67 -1.92 121.76 120.91 1cnb s ALA 142 Ca 0.28 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.30 1cnb s ALA 142 Cb 0.01 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1cnb s ALA 142 CO 0.12 -0.42 -0.23 0.08 0.00 0.00 0.00 175.76 175.31 1cnb s VAL 143 N 1.93 2.14 -0.34 0.00 1.01 -1.04 -1.08 120.40 123.02 1cnb s VAL 143 Ca 0.03 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 1cnb s VAL 143 Cb -0.12 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1cnb s VAL 143 CO -0.04 0.55 0.32 -0.22 0.00 0.00 0.00 175.10 175.71 1cnb s LEU 144 N 0.46 4.44 -0.17 3.92 0.20 -0.23 -1.68 118.68 125.62 1cnb s LEU 144 Ca -0.15 -0.26 -0.06 0.00 0.69 0.00 0.00 54.13 54.34 1cnb s LEU 144 Cb -0.17 -2.27 -0.04 0.00 -0.43 0.00 0.00 46.19 43.28 1cnb s LEU 144 CO 0.06 -0.29 0.03 -0.83 -0.29 0.00 0.00 176.35 175.04 1cnb s GLY 145 N 1.73 1.86 -0.08 7.98 0.00 0.12 -0.87 107.32 118.06 1cnb s GLY 145 Ca 0.10 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 44.07 1cnb s GLY 145 CO 0.11 -0.01 -0.08 -0.42 0.00 0.00 0.00 173.10 172.70 1cnb s ILE 146 N 0.29 0.93 0.33 0.90 1.01 -0.52 -0.56 121.20 123.58 1cnb s ILE 146 Ca 0.02 -0.31 -0.21 0.00 0.00 0.00 0.00 60.65 60.15 1cnb s ILE 146 Cb -0.13 -0.91 -0.10 0.00 0.01 0.00 0.00 42.46 41.34 1cnb s ILE 146 CO 0.01 0.33 0.84 -0.36 0.00 0.00 0.00 174.94 175.76 1cnb s PHE 147 N 1.13 3.51 -0.13 3.97 0.08 -1.26 -1.24 117.98 124.02 1cnb s PHE 147 Ca -0.06 1.51 0.02 0.00 0.12 0.00 0.00 56.93 58.51 1cnb s PHE 147 Cb -0.14 -2.74 0.01 0.00 -0.57 0.00 0.00 43.02 39.58 1cnb s PHE 147 CO -0.01 0.13 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.54 1cnb s LEU 148 N -2.55 1.90 0.31 -0.37 1.02 -0.90 -0.42 118.68 117.67 1cnb s LEU 148 Ca 0.52 -0.53 0.09 0.00 0.02 0.00 0.00 54.13 54.23 1cnb s LEU 148 Cb -0.14 -1.28 -0.04 0.00 0.02 0.00 0.00 46.19 44.75 1cnb s LEU 148 CO 0.19 0.03 0.08 -1.59 0.02 0.00 0.00 176.35 175.08 1cnb s LYS 149 N 1.04 2.35 -0.24 1.70 -2.85 0.45 -2.20 119.74 120.00 1cnb s LYS 149 Ca -0.03 -1.49 -0.12 0.00 -1.00 0.00 0.00 55.97 53.32 1cnb s LYS 149 Cb -0.15 -2.17 -0.05 0.00 -2.06 0.00 0.00 37.83 33.41 1cnb s LYS 149 CO -0.05 0.22 0.24 0.08 0.10 0.00 0.00 175.35 175.95 1cnb s VAL 150 N -2.38 5.30 0.00 1.79 1.01 -1.25 -0.96 120.40 123.90 1cnb s VAL 150 Ca 0.35 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1cnb s VAL 150 Cb -0.04 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1cnb s VAL 150 CO 0.22 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1cnb n GLY 151 N 4.34 1.21 3.79 4.51 0.00 0.21 -4.90 105.19 114.37 1cnb n GLY 151 Ca -0.13 0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1cnb n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cnb s SER 152 N 2.00 5.91 0.73 1.61 0.01 -1.26 -3.67 113.70 119.03 1cnb s SER 152 Ca 0.00 1.91 -0.14 0.00 1.31 0.00 0.00 55.95 59.03 1cnb s SER 152 Cb 0.00 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.72 1cnb s SER 152 CO 0.00 -1.08 1.17 0.00 0.41 0.00 0.00 173.24 173.75 1cnb s ALA 153 N -2.20 2.16 -0.34 1.44 0.00 -1.26 -2.21 121.76 119.36 1cnb s ALA 153 Ca 0.66 0.75 0.02 0.00 0.00 0.00 0.00 51.96 53.40 1cnb s ALA 153 Cb -0.17 -3.42 0.09 0.00 0.00 0.00 0.00 23.12 19.62 1cnb s ALA 153 CO 0.30 -1.79 0.05 0.21 0.00 0.00 0.00 175.76 174.54 1cnb s LYS 154 N -4.05 1.72 0.18 0.00 2.47 -1.26 -4.78 119.74 114.03 1cnb s LYS 154 Ca 0.71 -1.76 -0.20 0.00 -1.56 0.00 0.00 55.97 53.16 1cnb s LYS 154 Cb -0.26 -3.22 0.11 0.00 -1.46 0.00 0.00 37.83 33.00 1cnb s LYS 154 CO 0.46 -0.89 1.61 -1.35 0.16 0.00 0.00 175.35 175.33 1cnb h PRO 155 N 7.72 -0.16 0.00 4.03 0.11 -1.92 -1.31 132.00 140.47 1cnb h PRO 155 Ca -0.08 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1cnb h PRO 155 Cb 1.03 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1cnb h PRO 155 CO 0.54 -0.10 0.26 0.78 -0.21 0.00 0.00 178.00 179.27 1cnb h GLY 156 N -0.16 0.00 0.36 -0.55 0.00 -1.95 -1.84 103.07 98.93 1cnb h GLY 156 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1cnb h GLY 156 CO -0.58 0.00 -1.04 -0.10 0.00 0.00 0.00 176.54 174.83 1cnb n LEU 157 N -2.53 0.69 -0.26 3.11 7.94 -0.50 -4.46 117.00 120.99 1cnb n LEU 157 Ca -0.02 -0.20 -0.01 0.00 -1.11 0.00 0.00 56.01 54.67 1cnb n LEU 157 Cb 0.30 -0.07 0.18 0.00 0.53 0.00 0.00 43.42 44.36 1cnb n LEU 157 CO 0.11 0.13 1.20 -0.61 -1.11 0.00 0.00 177.39 177.11 1cnb h GLN 158 N 0.00 1.09 -0.97 1.96 5.75 -1.32 -2.09 115.11 119.53 1cnb h GLN 158 Ca 0.00 -0.10 0.04 0.00 -0.15 0.00 0.00 58.65 58.44 1cnb h GLN 158 Cb 0.63 -0.23 -0.06 0.00 1.07 0.00 0.00 27.48 28.89 1cnb h GLN 158 CO 0.00 0.76 0.63 0.87 -2.65 0.00 0.00 178.83 178.44 1cnb h LYS 159 N 1.11 1.17 -0.09 1.69 1.57 -1.78 -1.66 116.57 118.57 1cnb h LYS 159 Ca 0.29 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1cnb h LYS 159 Cb -0.04 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.00 1cnb h LYS 159 CO -0.05 0.78 -0.07 0.28 -0.57 0.00 0.00 179.45 179.81 1cnb h VAL 160 N 1.21 1.34 -0.36 0.50 2.07 -1.71 -3.24 116.25 116.06 1cnb h VAL 160 Ca 0.39 -1.16 0.08 0.00 0.82 0.00 0.00 66.70 66.83 1cnb h VAL 160 Cb 0.03 1.91 -0.09 0.00 -1.52 0.00 0.00 31.29 31.63 1cnb h VAL 160 CO -0.13 0.33 -0.30 0.58 0.02 0.00 0.00 177.57 178.07 1cnb h VAL 161 N -0.18 0.27 0.00 2.57 2.07 -1.00 -2.24 116.25 117.75 1cnb h VAL 161 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1cnb h VAL 161 Cb 0.55 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1cnb h VAL 161 CO 0.02 0.00 0.00 0.44 0.02 0.00 0.00 177.57 178.05 1cnb h ASP 162 N -0.25 0.00 0.10 0.57 3.32 -1.37 -3.02 116.42 115.77 1cnb h ASP 162 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1cnb h ASP 162 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1cnb h ASP 162 CO -0.50 0.00 -0.23 0.55 -1.72 0.00 0.00 179.24 177.34 1cnb n VAL 163 N -2.91 0.00 -0.34 -1.35 3.14 -0.84 -4.33 118.33 111.69 1cnb n VAL 163 Ca -0.01 -0.22 0.04 0.00 -2.96 0.00 0.00 64.34 61.20 1cnb n VAL 163 Cb 0.18 0.71 0.19 0.00 -1.06 0.00 0.00 33.84 33.87 1cnb n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1cnb h LEU 164 N 2.05 0.87 -1.43 6.55 3.38 -1.53 -2.06 115.31 123.15 1cnb h LEU 164 Ca 0.00 0.04 0.20 0.00 0.09 0.00 0.00 57.88 58.21 1cnb h LEU 164 Cb 0.61 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 1cnb h LEU 164 CO 0.00 0.50 0.60 0.44 0.09 0.00 0.00 178.44 180.08 1cnb h ASP 165 N 0.98 0.47 1.08 -0.43 3.32 -1.81 -1.47 116.42 118.57 1cnb h ASP 165 Ca 0.44 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.53 1cnb h ASP 165 Cb 0.35 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1cnb h ASP 165 CO -0.23 0.18 -0.04 0.28 -1.72 0.00 0.00 179.24 177.71 1cnb h SER 166 N 0.47 0.00 -0.68 6.45 0.02 -1.68 -3.30 113.55 114.83 1cnb h SER 166 Ca 0.49 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 61.09 1cnb h SER 166 Cb 1.13 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.27 1cnb h SER 166 CO -0.21 0.04 -1.04 2.30 -1.14 0.00 0.00 176.83 176.77 1cnb n ILE 167 N -3.14 1.56 -0.34 3.27 -5.35 -0.57 -4.66 119.36 110.12 1cnb n ILE 167 Ca 0.01 -3.36 0.04 0.00 -0.27 0.00 0.00 62.75 59.16 1cnb n ILE 167 Cb 0.34 0.49 0.19 0.00 -1.74 0.00 0.00 39.64 38.92 1cnb n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1cnb h LYS 168 N 2.59 0.98 -6.11 6.28 3.64 -1.59 -3.42 116.57 118.94 1cnb h LYS 168 Ca 0.01 -0.06 -0.55 0.00 -1.27 0.00 0.00 60.65 58.78 1cnb h LYS 168 Cb 1.29 -0.22 -0.08 0.00 -0.41 0.00 0.00 32.23 32.80 1cnb h LYS 168 CO 0.41 0.65 -0.57 0.95 -2.27 0.00 0.00 179.45 178.62 1cnb s THR 169 N -6.02 3.10 -0.25 1.00 -4.23 -1.26 -0.60 115.64 107.39 1cnb s THR 169 Ca -0.12 -1.76 -0.39 0.00 -1.18 0.00 0.00 61.69 58.23 1cnb s THR 169 Cb 0.20 -2.94 -0.15 0.00 1.34 0.00 0.00 72.50 70.95 1cnb s THR 169 CO 0.80 -0.23 1.74 1.17 -0.54 0.00 0.00 174.62 177.57 1cnb n LYS 170 N -1.08 1.24 0.00 3.99 4.81 -0.07 -2.04 118.16 125.02 1cnb n LYS 170 Ca -0.04 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 1cnb n LYS 170 Cb 0.61 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 33.51 1cnb n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cnb n GLY 171 N 4.15 2.47 3.78 3.14 0.00 0.00 -4.45 105.19 114.29 1cnb n GLY 171 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 1cnb n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cnb s LYS 172 N -0.99 3.36 0.11 1.61 -0.14 -0.87 -4.85 119.74 117.97 1cnb s LYS 172 Ca 0.00 1.47 -0.14 0.00 -1.36 0.00 0.00 55.97 55.94 1cnb s LYS 172 Cb 0.00 -2.02 0.03 0.00 -1.68 0.00 0.00 37.83 34.16 1cnb s LYS 172 CO 0.00 -0.81 0.35 -1.54 -0.76 0.00 0.00 175.35 172.59 1cnb s SER 173 N -2.07 -0.16 -0.15 2.83 1.04 -1.26 -1.60 113.70 112.33 1cnb s SER 173 Ca 0.69 -0.37 -0.13 0.00 0.48 0.00 0.00 55.95 56.62 1cnb s SER 173 Cb -0.21 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.39 1cnb s SER 173 CO 0.29 -0.81 0.39 0.00 0.98 0.00 0.00 173.24 174.09 1cnb s ALA 174 N -3.71 -0.97 0.39 5.32 0.00 -0.66 -4.93 121.76 117.20 1cnb s ALA 174 Ca 0.03 1.13 -0.25 0.00 0.00 0.00 0.00 51.96 52.87 1cnb s ALA 174 Cb 0.02 -0.66 -0.11 0.00 0.00 0.00 0.00 23.12 22.37 1cnb s ALA 174 CO -0.11 -0.19 1.01 -0.25 0.00 0.00 0.00 175.76 176.22 1cnb n ASP 175 N 2.99 1.28 -2.81 0.00 8.00 -1.26 -1.95 116.55 122.80 1cnb n ASP 175 Ca -0.14 1.07 -0.08 0.00 0.71 0.00 0.00 54.79 56.35 1cnb n ASP 175 Cb 0.57 -1.34 0.02 0.00 -0.02 0.00 0.00 41.12 40.35 1cnb n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1cnb n PHE 176 N -0.31 -3.26 -2.95 1.24 7.35 0.25 -4.76 117.46 115.02 1cnb n PHE 176 Ca 0.09 -1.78 -0.22 0.00 -0.76 0.00 0.00 57.45 54.78 1cnb n PHE 176 Cb 0.38 1.36 0.02 0.00 0.35 0.00 0.00 39.48 41.58 1cnb n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1cnb s THR 177 N 0.63 3.71 -1.41 -2.13 -4.23 -1.25 -2.38 115.64 108.56 1cnb s THR 177 Ca 0.31 -0.58 -0.04 0.00 -1.18 0.00 0.00 61.69 60.20 1cnb s THR 177 Cb 0.13 -3.36 0.02 0.00 1.34 0.00 0.00 72.50 70.62 1cnb s THR 177 CO -0.16 -0.25 0.37 0.59 -0.54 0.00 0.00 174.62 174.63 1cnb n ASN 178 N -2.10 -4.97 -4.57 3.99 4.13 -1.26 -4.91 115.26 105.58 1cnb n ASN 178 Ca 0.03 -0.18 -0.38 0.00 1.68 0.00 0.00 54.58 55.73 1cnb n ASN 178 Cb 0.58 -4.09 -0.11 0.00 -1.54 0.00 0.00 39.78 34.62 1cnb n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1cnb s PHE 179 N -2.98 3.21 -0.44 3.10 5.36 -1.26 -5.02 117.98 119.95 1cnb s PHE 179 Ca 0.23 0.05 -0.16 0.00 -0.96 0.00 0.00 56.93 56.09 1cnb s PHE 179 Cb -0.11 -2.37 0.04 0.00 -0.34 0.00 0.00 43.02 40.24 1cnb s PHE 179 CO 0.28 -0.19 0.40 0.34 -1.46 0.00 0.00 175.22 174.60 1cnb s ASP 180 N 1.74 6.16 0.61 6.13 -1.08 -1.26 -4.37 116.67 124.60 1cnb s ASP 180 Ca 0.07 -0.93 0.36 0.00 -0.52 0.00 0.00 52.55 51.53 1cnb s ASP 180 Cb -0.16 -2.20 1.98 0.00 -1.46 0.00 0.00 42.92 41.08 1cnb s ASP 180 CO 0.10 -0.59 2.25 1.55 0.52 0.00 0.00 175.17 179.01 1cnb h PRO 181 N 8.73 0.00 -0.13 4.34 0.13 -1.97 -2.77 132.00 140.34 1cnb h PRO 181 Ca -0.27 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.90 1cnb h PRO 181 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1cnb h PRO 181 CO 0.81 0.02 0.34 0.00 -0.23 0.00 0.00 178.00 178.94 1cnb h ARG 182 N 0.00 0.00 0.00 0.86 3.08 -1.93 0.76 114.38 117.15 1cnb h ARG 182 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1cnb h ARG 182 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1cnb h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1cnb n GLY 183 N -1.30 -1.23 0.70 0.04 0.00 -1.05 -3.25 105.19 99.10 1cnb n GLY 183 Ca 0.01 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.05 1cnb n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cnb n LEU 184 N -1.52 2.44 -4.82 0.99 4.77 0.26 -4.34 117.00 114.78 1cnb n LEU 184 Ca 0.05 -0.98 -0.37 0.00 -0.03 0.00 0.00 56.01 54.69 1cnb n LEU 184 Cb 0.25 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1cnb n LEU 184 CO 0.20 0.43 0.29 -0.76 -1.33 0.00 0.00 177.39 176.22 1cnb s LEU 185 N -1.58 4.43 1.07 2.23 1.43 -1.20 -4.96 118.68 120.09 1cnb s LEU 185 Ca 0.21 1.24 -0.16 0.00 -1.03 0.00 0.00 54.13 54.39 1cnb s LEU 185 Cb 0.15 -3.18 0.23 0.00 0.03 0.00 0.00 46.19 43.42 1cnb s LEU 185 CO 0.25 0.16 1.13 -2.16 0.23 0.00 0.00 176.35 175.96 1cnb s PRO 186 N -1.59 -0.17 0.07 1.29 0.04 -1.26 -4.98 135.00 128.40 1cnb s PRO 186 Ca 0.35 0.13 -0.17 0.00 0.04 0.00 0.00 61.00 61.35 1cnb s PRO 186 Cb -0.17 -1.70 -0.13 0.00 0.04 0.00 0.00 34.50 32.53 1cnb s PRO 186 CO 0.20 -3.05 1.34 1.49 0.04 0.00 0.00 177.00 177.01 1cnb h GLU 187 N -2.11 0.55 -6.09 4.56 4.81 -1.92 -3.45 114.58 110.93 1cnb h GLU 187 Ca -0.49 -0.34 -0.59 0.00 -0.13 0.00 0.00 59.36 57.81 1cnb h GLU 187 Cb 1.31 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.68 1cnb h GLU 187 CO 0.47 0.94 -0.31 0.45 -0.73 0.00 0.00 179.01 179.83 1cnb s SER 188 N -6.48 6.53 -0.19 1.04 0.15 -1.26 -5.02 113.70 108.47 1cnb s SER 188 Ca -0.13 0.63 0.16 0.00 0.70 0.00 0.00 55.95 57.31 1cnb s SER 188 Cb 0.07 -2.11 0.54 0.00 -1.71 0.00 0.00 66.02 62.81 1cnb s SER 188 CO 0.81 0.13 1.44 0.18 1.20 0.00 0.00 173.24 177.00 1cnb n LEU 189 N 0.52 3.99 -4.77 3.45 4.77 -1.26 -4.76 117.00 118.93 1cnb n LEU 189 Ca -0.06 -3.07 -0.41 0.00 -0.03 0.00 0.00 56.01 52.44 1cnb n LEU 189 Cb 0.52 -0.56 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1cnb n LEU 189 CO 0.45 0.71 1.06 -1.81 -1.33 0.00 0.00 177.39 176.47 1cnb s ASP 190 N -1.93 6.57 0.25 -1.43 1.01 -1.26 -4.72 116.67 115.16 1cnb s ASP 190 Ca 0.43 2.86 -0.05 0.00 0.71 0.00 0.00 52.55 56.50 1cnb s ASP 190 Cb 0.35 -2.66 -0.02 0.00 1.01 0.00 0.00 42.92 41.60 1cnb s ASP 190 CO 0.09 -0.70 0.34 -0.72 0.21 0.00 0.00 175.17 174.39 1cnb s TYR 191 N -1.12 0.87 0.05 4.23 -0.85 -1.26 -2.00 117.35 117.27 1cnb s TYR 191 Ca 0.51 -1.13 0.07 0.00 -0.52 0.00 0.00 57.07 56.00 1cnb s TYR 191 Cb -0.43 -0.19 -0.03 0.00 0.38 0.00 0.00 41.96 41.69 1cnb s TYR 191 CO 0.58 -0.89 -0.17 -1.58 -1.52 0.00 0.00 175.55 171.97 1cnb s TRP 192 N -3.85 2.58 -0.02 -3.49 0.51 -0.18 -1.32 118.94 113.18 1cnb s TRP 192 Ca 0.31 -0.24 -0.05 0.00 -2.12 0.00 0.00 56.10 54.00 1cnb s TRP 192 Cb 0.02 -1.46 0.00 0.00 -0.81 0.00 0.00 33.47 31.23 1cnb s TRP 192 CO 0.13 0.28 0.12 -0.08 -0.51 0.00 0.00 176.95 176.89 1cnb s THR 193 N -0.96 0.05 0.07 2.01 -1.32 0.16 -1.49 115.64 114.16 1cnb s THR 193 Ca 0.15 -0.39 -0.26 0.00 -1.21 0.00 0.00 61.69 59.98 1cnb s THR 193 Cb -0.11 -0.31 0.09 0.00 -1.51 0.00 0.00 72.50 70.67 1cnb s THR 193 CO 0.06 -0.21 0.76 -0.72 -2.21 0.00 0.00 174.62 172.30 1cnb s TYR 194 N -0.71 -0.43 -0.14 9.09 1.13 -1.06 -1.45 117.35 123.77 1cnb s TYR 194 Ca -0.08 0.27 -0.22 0.00 -1.41 0.00 0.00 57.07 55.63 1cnb s TYR 194 Cb -0.05 0.55 -0.03 0.00 -1.10 0.00 0.00 41.96 41.33 1cnb s TYR 194 CO 0.01 -0.68 0.65 -1.25 -2.51 0.00 0.00 175.55 171.77 1cnb s PRO 195 N -3.38 4.31 0.00 -3.49 0.04 -1.26 -1.00 135.00 130.22 1cnb s PRO 195 Ca 0.03 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1cnb s PRO 195 Cb -0.01 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1cnb s PRO 195 CO -0.11 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.24 1cnb n GLY 196 N 3.48 4.64 0.93 0.56 0.00 0.11 -4.87 105.19 110.04 1cnb n GLY 196 Ca -0.02 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.18 1cnb n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cnb n SER 197 N 0.00 0.21 -4.78 1.61 3.41 -0.92 -2.11 113.62 111.04 1cnb n SER 197 Ca 0.00 -1.62 -0.34 0.00 -0.26 0.00 0.00 58.87 56.65 1cnb n SER 197 Cb 0.00 0.42 0.02 0.00 -0.26 0.00 0.00 64.21 64.39 1cnb n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1cnb s LEU 198 N 0.00 3.56 0.00 1.04 1.43 -0.55 -4.57 118.68 119.59 1cnb s LEU 198 Ca 0.10 2.00 0.25 0.00 -1.03 0.00 0.00 54.13 55.45 1cnb s LEU 198 Cb 0.00 -4.56 0.38 0.00 0.03 0.00 0.00 46.19 42.05 1cnb s LEU 198 CO 0.07 -1.33 1.36 0.35 0.23 0.00 0.00 176.35 177.02 1cnb n THR 199 N -1.89 0.00 -4.18 5.49 -2.24 -1.26 -4.51 114.28 105.69 1cnb n THR 199 Ca 0.10 -0.38 -0.16 0.00 -2.27 0.00 0.00 64.05 61.35 1cnb n THR 199 Cb 0.52 1.16 -0.11 0.00 -2.10 0.00 0.00 70.33 69.80 1cnb n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1cnb s THR 200 N -2.12 1.04 0.40 4.28 -4.23 -1.26 -4.77 115.64 108.97 1cnb s THR 200 Ca 0.28 -1.58 -0.24 0.00 -1.18 0.00 0.00 61.69 58.97 1cnb s THR 200 Cb 0.20 -1.32 -0.12 0.00 1.34 0.00 0.00 72.50 72.60 1cnb s THR 200 CO 0.37 -0.47 0.81 -2.65 -0.54 0.00 0.00 174.62 172.15 1cnb n PRO 201 N 0.71 0.99 0.00 3.99 -0.02 -1.26 -0.49 135.00 138.91 1cnb n PRO 201 Ca -0.17 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1cnb n PRO 201 Cb 0.57 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 1cnb n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1cnb n PRO 202 N 0.41 0.82 -3.66 0.52 -0.04 -1.26 -4.97 135.00 126.82 1cnb n PRO 202 Ca 0.11 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.30 1cnb n PRO 202 Cb 0.38 -1.13 -0.03 0.00 -0.04 0.00 0.00 33.50 32.68 1cnb n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1cnb n LEU 203 N -0.32 -1.13 -4.75 1.53 4.77 0.35 -4.88 117.00 112.58 1cnb n LEU 203 Ca 0.00 -0.56 -0.41 0.00 -0.03 0.00 0.00 56.01 55.01 1cnb n LEU 203 Cb 0.06 -1.79 -0.02 0.00 -2.33 0.00 0.00 43.42 39.34 1cnb n LEU 203 CO 0.00 0.14 1.17 -0.76 -1.33 0.00 0.00 177.39 176.61 1cnb s LEU 204 N -6.55 4.37 -1.40 2.23 1.43 -1.26 -4.33 118.68 113.17 1cnb s LEU 204 Ca 0.50 2.79 -0.07 0.00 -1.03 0.00 0.00 54.13 56.32 1cnb s LEU 204 Cb -0.28 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.39 1cnb s LEU 204 CO 0.61 -0.80 2.46 -0.62 0.23 0.00 0.00 176.35 178.23 1cnb n GLU 205 N 2.34 4.21 -0.01 1.70 1.02 -1.26 -1.48 120.64 127.15 1cnb n GLU 205 Ca 0.08 -3.14 0.01 0.00 -0.02 0.00 0.00 57.16 54.09 1cnb n GLU 205 Cb 0.39 -2.73 0.01 0.00 -0.02 0.00 0.00 31.44 29.09 1cnb n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cnb s VAL 207 N -0.60 5.31 -0.42 0.00 1.01 -0.90 -1.51 120.40 123.29 1cnb s VAL 207 Ca 0.03 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 1cnb s VAL 207 Cb 0.02 -3.37 0.08 0.00 0.00 0.00 0.00 36.38 33.10 1cnb s VAL 207 CO 0.02 0.49 0.25 -0.89 0.00 0.00 0.00 175.10 174.98 1cnb s THR 208 N -1.13 4.20 0.23 3.92 2.01 -0.81 0.09 115.64 124.14 1cnb s THR 208 Ca 0.20 -1.41 -0.27 0.00 0.31 0.00 0.00 61.69 60.52 1cnb s THR 208 Cb -0.12 -3.57 -0.09 0.00 0.01 0.00 0.00 72.50 68.73 1cnb s THR 208 CO 0.10 -0.50 0.86 0.26 -0.69 0.00 0.00 174.62 174.65 1cnb s TRP 209 N 1.42 3.88 -0.31 4.92 0.52 -0.17 -2.48 118.94 126.71 1cnb s TRP 209 Ca 0.03 1.74 -0.02 0.00 0.02 0.00 0.00 56.10 57.87 1cnb s TRP 209 Cb -0.23 -2.86 0.12 0.00 -1.15 0.00 0.00 33.47 29.35 1cnb s TRP 209 CO 0.02 0.43 0.18 0.42 0.02 0.00 0.00 176.95 178.01 1cnb s ILE 210 N -1.28 -0.06 -0.27 2.03 1.01 -0.68 -2.55 121.20 119.41 1cnb s ILE 210 Ca 0.41 -0.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 1cnb s ILE 210 Cb -0.23 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 1cnb s ILE 210 CO 0.27 -0.76 0.21 -0.69 0.00 0.00 0.00 174.94 173.97 1cnb s VAL 211 N 1.83 5.30 0.33 2.92 1.01 -0.56 0.12 120.40 131.35 1cnb s VAL 211 Ca 0.12 0.23 -0.26 0.00 0.00 0.00 0.00 61.98 62.06 1cnb s VAL 211 Cb -0.18 -3.55 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 1cnb s VAL 211 CO -0.25 0.26 1.00 -0.76 0.00 0.00 0.00 175.10 175.35 1cnb s LEU 212 N 1.65 4.35 0.02 3.92 1.43 0.28 -1.01 118.68 129.32 1cnb s LEU 212 Ca 0.08 1.97 -0.25 0.00 -1.03 0.00 0.00 54.13 54.90 1cnb s LEU 212 Cb -0.15 -3.96 -0.17 0.00 0.03 0.00 0.00 46.19 41.93 1cnb s LEU 212 CO 0.10 -0.18 1.38 0.50 0.23 0.00 0.00 176.35 178.38 1cnb h LYS 213 N 3.17 -0.27 -6.00 1.70 3.64 -1.73 -3.43 116.57 113.65 1cnb h LYS 213 Ca -0.47 0.02 -0.58 0.00 -1.27 0.00 0.00 60.65 58.35 1cnb h LYS 213 Cb 1.20 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 33.02 1cnb h LYS 213 CO 0.65 0.02 0.59 -2.00 -2.27 0.00 0.00 179.45 176.43 1cnb s GLU 214 N -5.01 4.27 0.64 1.90 2.12 -1.26 -5.00 118.70 116.36 1cnb s GLU 214 Ca -0.15 1.18 -0.11 0.00 0.36 0.00 0.00 54.97 56.26 1cnb s GLU 214 Cb 0.03 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 1cnb s GLU 214 CO 0.60 -0.48 1.04 -2.14 -0.54 0.00 0.00 175.26 173.74 1cnb s PRO 215 N 2.68 3.32 0.07 4.30 0.02 -1.26 -4.69 135.00 139.44 1cnb s PRO 215 Ca 0.41 0.59 0.04 0.00 0.02 0.00 0.00 61.00 62.06 1cnb s PRO 215 Cb -0.16 -2.08 -0.04 0.00 0.02 0.00 0.00 34.50 32.24 1cnb s PRO 215 CO 0.10 -0.72 -0.01 0.96 -0.33 0.00 0.00 177.00 177.00 1cnb s ILE 216 N -3.21 3.98 -0.06 2.83 -4.36 0.44 -4.92 121.20 115.89 1cnb s ILE 216 Ca 0.56 -0.91 -0.03 0.00 -0.26 0.00 0.00 60.65 60.01 1cnb s ILE 216 Cb -0.11 -2.86 -0.04 0.00 1.25 0.00 0.00 42.46 40.70 1cnb s ILE 216 CO 0.52 0.19 0.08 -0.94 0.24 0.00 0.00 174.94 175.03 1cnb s SER 217 N -2.08 5.76 0.06 4.36 1.04 -1.26 -0.41 113.70 121.17 1cnb s SER 217 Ca 0.24 0.25 0.04 0.00 0.48 0.00 0.00 55.95 56.96 1cnb s SER 217 Cb -0.12 -1.72 -0.03 0.00 0.10 0.00 0.00 66.02 64.26 1cnb s SER 217 CO 0.16 0.35 -0.12 0.68 0.98 0.00 0.00 173.24 175.28 1cnb s VAL 218 N -1.05 0.95 0.61 5.02 -7.23 -0.14 -3.98 120.40 114.58 1cnb s VAL 218 Ca 0.18 -1.24 -0.09 0.00 -1.81 0.00 0.00 61.98 59.02 1cnb s VAL 218 Cb -0.12 -0.94 -0.02 0.00 0.56 0.00 0.00 36.38 35.87 1cnb s VAL 218 CO 0.07 -0.26 0.97 -0.94 -0.31 0.00 0.00 175.10 174.64 1cnb s SER 219 N -1.68 5.90 0.24 4.85 1.04 -1.04 -0.62 113.70 122.40 1cnb s SER 219 Ca -0.04 1.11 -0.05 0.00 0.48 0.00 0.00 55.95 57.44 1cnb s SER 219 Cb -0.10 -2.13 0.34 0.00 0.10 0.00 0.00 66.02 64.23 1cnb s SER 219 CO 0.02 -0.98 1.85 -1.28 0.98 0.00 0.00 173.24 173.83 1cnb h SER 220 N -0.27 0.85 1.54 7.02 0.87 -1.92 -1.67 113.55 119.96 1cnb h SER 220 Ca -0.45 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1cnb h SER 220 Cb 1.22 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1cnb h SER 220 CO 0.62 0.54 0.00 1.05 -0.53 0.00 0.00 176.83 178.52 1cnb h GLU 221 N 0.99 0.00 0.16 2.24 9.09 -1.94 -0.40 114.58 124.73 1cnb h GLU 221 Ca 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.78 1cnb h GLU 221 Cb 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.27 1cnb h GLU 221 CO -0.17 0.00 -0.08 1.96 0.05 0.00 0.00 179.01 180.77 1cnb h GLN 222 N 0.00 -0.21 -0.98 1.06 4.20 -1.70 -2.92 115.11 114.55 1cnb h GLN 222 Ca 0.00 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.79 1cnb h GLN 222 Cb 0.77 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.53 1cnb h GLN 222 CO 0.00 0.22 0.63 -0.24 -0.67 0.00 0.00 178.83 178.77 1cnb h VAL 223 N -0.85 1.09 -0.87 -0.54 3.04 -1.42 -1.68 116.25 115.02 1cnb h VAL 223 Ca -0.02 -0.40 0.13 0.00 -1.01 0.00 0.00 66.70 65.40 1cnb h VAL 223 Cb 0.53 -0.17 -0.09 0.00 -2.01 0.00 0.00 31.29 29.55 1cnb h VAL 223 CO 0.04 0.21 0.49 -0.07 -1.01 0.00 0.00 177.57 177.22 1cnb h LEU 224 N 1.16 0.65 -2.33 3.16 3.38 -1.05 -0.87 115.31 119.40 1cnb h LEU 224 Ca 0.42 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.46 1cnb h LEU 224 Cb 0.15 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1cnb h LEU 224 CO -0.17 0.31 -0.04 0.11 0.09 0.00 0.00 178.44 178.75 1cnb h LYS 225 N 0.74 0.00 -0.16 1.13 1.57 -1.10 -2.46 116.57 116.28 1cnb h LYS 225 Ca 0.45 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 59.09 1cnb h LYS 225 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1cnb h LYS 225 CO -0.31 0.04 -0.48 0.74 -0.57 0.00 0.00 179.45 178.86 1cnb h PHE 226 N 0.00 0.80 0.00 -1.35 -1.00 -1.17 -3.07 116.94 111.15 1cnb h PHE 226 Ca -0.00 -0.32 0.00 0.00 2.81 0.00 0.00 57.97 60.46 1cnb h PHE 226 Cb 0.19 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.61 1cnb h PHE 226 CO 0.00 1.09 0.00 0.54 -1.61 0.00 0.00 178.31 178.33 1cnb n ARG 227 N -4.20 0.03 0.00 1.51 1.74 -0.93 -2.48 116.66 112.33 1cnb n ARG 227 Ca -0.07 0.33 0.13 0.00 -0.77 0.00 0.00 57.85 57.47 1cnb n ARG 227 Cb 0.58 -1.50 0.36 0.00 -1.02 0.00 0.00 32.46 30.89 1cnb n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1cnb n LYS 228 N -1.39 1.58 -1.40 5.56 5.02 -1.16 -4.49 118.16 121.89 1cnb n LYS 228 Ca 0.02 -1.05 -0.31 0.00 -2.02 0.00 0.00 58.31 54.94 1cnb n LYS 228 Cb 0.04 -1.48 0.08 0.00 -0.02 0.00 0.00 35.03 33.66 1cnb n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cnb s LEU 229 N -2.15 2.88 -0.01 -0.35 1.02 -1.04 -4.89 118.68 114.15 1cnb s LEU 229 Ca 0.31 1.62 0.07 0.00 0.02 0.00 0.00 54.13 56.16 1cnb s LEU 229 Cb 0.20 -4.33 -0.02 0.00 0.02 0.00 0.00 46.19 42.07 1cnb s LEU 229 CO 0.39 -1.92 -0.22 0.20 0.02 0.00 0.00 176.35 174.81 1cnb s ASN 230 N -3.61 2.64 -0.03 2.29 0.02 0.23 0.16 114.94 116.65 1cnb s ASN 230 Ca 0.60 -0.42 -0.21 0.00 -1.02 0.00 0.00 52.86 51.81 1cnb s ASN 230 Cb -0.16 -0.29 -0.26 0.00 0.02 0.00 0.00 41.25 40.56 1cnb s ASN 230 CO 0.56 0.27 1.01 -0.26 0.02 0.00 0.00 177.10 178.69 1cnb h PHE 231 N 5.50 0.52 -4.03 2.20 0.04 -1.57 -3.32 116.94 116.27 1cnb h PHE 231 Ca -0.41 -0.31 -0.49 0.00 2.80 0.00 0.00 57.97 59.56 1cnb h PHE 231 Cb 1.13 -0.05 0.16 0.00 2.20 0.00 0.00 35.95 39.40 1cnb h PHE 231 CO 0.40 1.17 0.23 0.54 -0.60 0.00 0.00 178.31 180.05 1cnb s ASN 232 N -6.74 3.21 0.33 2.17 4.22 -1.26 -4.22 114.94 112.65 1cnb s ASN 232 Ca -0.14 1.64 -0.04 0.00 -2.14 0.00 0.00 52.86 52.18 1cnb s ASN 232 Cb 0.02 -2.29 -0.05 0.00 1.28 0.00 0.00 41.25 40.22 1cnb s ASN 232 CO 0.81 -2.83 0.60 -0.83 -2.04 0.00 0.00 177.10 172.81 1cnb s GLY 233 N -3.20 1.69 -0.10 0.45 0.00 -1.26 -0.89 107.32 104.00 1cnb s GLY 233 Ca 0.64 -0.62 -0.34 0.00 0.00 0.00 0.00 44.72 44.41 1cnb s GLY 233 CO 0.58 -0.51 1.92 -2.21 0.00 0.00 0.00 173.10 172.87 1cnb n GLU 234 N -1.34 2.15 0.00 2.90 2.13 -1.26 -2.13 120.64 123.09 1cnb n GLU 234 Ca -0.02 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.58 1cnb n GLU 234 Cb 0.55 -2.67 0.00 0.00 0.27 0.00 0.00 31.44 29.58 1cnb n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cnb n GLY 235 N 4.57 0.90 3.44 8.31 0.00 -1.26 -5.09 105.19 116.05 1cnb n GLY 235 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 1cnb n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cnb s GLU 236 N -0.74 1.57 0.47 1.61 2.02 -0.90 -5.10 118.70 117.63 1cnb s GLU 236 Ca 0.00 -1.64 -0.22 0.00 0.02 0.00 0.00 54.97 53.13 1cnb s GLU 236 Cb 0.00 -1.74 -0.10 0.00 0.10 0.00 0.00 34.13 32.39 1cnb s GLU 236 CO 0.00 0.35 0.75 -2.30 0.02 0.00 0.00 175.26 174.08 1cnb n PRO 237 N -0.20 0.87 -2.89 0.39 -0.02 -1.26 -4.85 135.00 127.03 1cnb n PRO 237 Ca -0.09 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 61.29 1cnb n PRO 237 Cb 0.58 -1.80 -0.04 0.00 -0.02 0.00 0.00 33.50 32.21 1cnb n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1cnb s GLU 238 N -1.96 3.94 -0.29 -0.52 2.12 -1.26 -4.76 118.70 115.97 1cnb s GLU 238 Ca 0.66 0.62 0.02 0.00 0.36 0.00 0.00 54.97 56.63 1cnb s GLU 238 Cb -0.54 -3.74 0.08 0.00 0.26 0.00 0.00 34.13 30.19 1cnb s GLU 238 CO 0.56 -0.75 -0.01 -2.00 -0.54 0.00 0.00 175.26 172.52 1cnb s GLU 239 N 3.11 1.61 0.40 4.30 2.12 -1.26 -5.08 118.70 123.90 1cnb s GLU 239 Ca 0.35 -1.43 -0.26 0.00 0.36 0.00 0.00 54.97 53.98 1cnb s GLU 239 Cb -0.14 -2.83 -0.09 0.00 0.26 0.00 0.00 34.13 31.33 1cnb s GLU 239 CO 0.14 -0.77 1.30 -0.51 -0.54 0.00 0.00 175.26 174.87 1cnb s LEU 240 N 1.16 4.23 -0.83 2.70 1.43 -1.26 -1.62 118.68 124.48 1cnb s LEU 240 Ca 0.02 2.64 -0.23 0.00 -1.03 0.00 0.00 54.13 55.53 1cnb s LEU 240 Cb -0.19 -3.89 0.07 0.00 0.03 0.00 0.00 46.19 42.21 1cnb s LEU 240 CO -0.09 -0.82 1.19 -0.32 0.23 0.00 0.00 176.35 176.54 1cnb s MET 241 N -2.21 3.36 0.08 1.70 -2.45 0.12 -4.67 119.30 115.23 1cnb s MET 241 Ca 0.56 -0.99 -0.07 0.00 -1.25 0.00 0.00 55.69 53.94 1cnb s MET 241 Cb -0.38 -4.66 -0.01 0.00 1.25 0.00 0.00 34.83 31.03 1cnb s MET 241 CO 0.49 -1.98 0.14 0.14 1.05 0.00 0.00 175.02 174.86 1cnb s VAL 242 N 4.35 0.16 -1.27 10.11 -7.23 -1.26 -4.40 120.40 120.85 1cnb s VAL 242 Ca 0.33 -1.28 -0.04 0.00 -1.81 0.00 0.00 61.98 59.18 1cnb s VAL 242 Cb -0.08 -1.34 -0.01 0.00 0.56 0.00 0.00 36.38 35.52 1cnb s VAL 242 CO 0.02 -0.71 0.69 0.47 -0.31 0.00 0.00 175.10 175.26 1cnb n ASP 243 N 0.03 -2.06 -2.85 4.85 8.00 -0.09 -4.85 116.55 119.58 1cnb n ASP 243 Ca -0.15 -0.86 -0.38 0.00 0.71 0.00 0.00 54.79 54.10 1cnb n ASP 243 Cb 0.62 -3.92 0.03 0.00 -0.02 0.00 0.00 41.12 37.84 1cnb n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1cnb n ASN 244 N -3.00 7.14 -4.29 -2.24 6.94 -1.01 -4.88 115.26 113.91 1cnb n ASN 244 Ca -0.25 -3.82 -0.28 0.00 -0.02 0.00 0.00 54.58 50.21 1cnb n ASN 244 Cb 0.66 -0.98 -0.14 0.00 -2.36 0.00 0.00 39.78 36.96 1cnb n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1cnb s TRP 245 N -4.00 2.03 -0.12 -2.53 1.48 -1.26 -4.66 118.94 109.88 1cnb s TRP 245 Ca 0.52 -0.39 -0.12 0.00 -1.06 0.00 0.00 56.10 55.04 1cnb s TRP 245 Cb 0.44 -1.22 -0.05 0.00 -1.16 0.00 0.00 33.47 31.48 1cnb s TRP 245 CO -0.38 0.10 0.27 0.50 -4.06 0.00 0.00 176.95 173.38 1cnb s ARG 246 N -1.17 4.02 0.48 3.25 3.52 -1.26 -4.99 118.95 122.81 1cnb s ARG 246 Ca 0.09 0.09 -0.22 0.00 -0.13 0.00 0.00 55.73 55.55 1cnb s ARG 246 Cb -0.09 -3.34 -0.07 0.00 -1.56 0.00 0.00 34.95 29.89 1cnb s ARG 246 CO 0.02 0.44 1.20 -1.25 -0.81 0.00 0.00 175.30 174.90 1cnb s PRO 247 N -0.14 3.60 0.21 5.12 0.04 -1.26 -4.68 135.00 137.89 1cnb s PRO 247 Ca 0.17 1.86 -0.31 0.00 0.04 0.00 0.00 61.00 62.75 1cnb s PRO 247 Cb -0.13 -2.34 -0.15 0.00 0.04 0.00 0.00 34.50 31.91 1cnb s PRO 247 CO 0.05 -0.71 1.14 0.00 0.04 0.00 0.00 177.00 177.52 1cnb n ALA 248 N -0.66 -0.50 -2.65 8.56 0.00 -1.26 -4.57 120.51 119.42 1cnb n ALA 248 Ca 0.08 0.44 -0.22 0.00 0.00 0.00 0.00 53.44 53.75 1cnb n ALA 248 Cb 0.48 -2.04 -0.04 0.00 0.00 0.00 0.00 19.45 17.84 1cnb n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1cnb s GLN 249 N -0.68 2.80 0.17 0.00 -1.52 0.11 -4.95 119.66 115.58 1cnb s GLN 249 Ca 0.69 -1.19 -0.31 0.00 -1.95 0.00 0.00 55.36 52.60 1cnb s GLN 249 Cb -0.80 -2.50 -0.09 0.00 -0.22 0.00 0.00 33.01 29.40 1cnb s GLN 249 CO 0.54 0.24 1.44 -2.14 -0.25 0.00 0.00 175.29 175.12 1cnb s PRO 250 N -3.91 4.29 0.13 2.91 0.02 -1.26 -4.54 135.00 132.64 1cnb s PRO 250 Ca 0.37 2.20 -0.14 0.00 0.02 0.00 0.00 61.00 63.45 1cnb s PRO 250 Cb -0.07 -3.18 -0.01 0.00 0.02 0.00 0.00 34.50 31.26 1cnb s PRO 250 CO 0.26 -0.45 1.59 1.25 -0.33 0.00 0.00 177.00 179.31 1cnb h LEU 251 N 6.22 0.75 -2.87 -5.54 5.85 -1.94 -3.44 115.31 114.34 1cnb h LEU 251 Ca -0.43 -0.30 -0.30 0.00 0.84 0.00 0.00 57.88 57.68 1cnb h LEU 251 Cb 1.21 -0.20 0.10 0.00 0.37 0.00 0.00 40.66 42.14 1cnb h LEU 251 CO 0.85 0.87 -0.77 0.29 -0.34 0.00 0.00 178.44 179.34 1cnb n LYS 252 N -4.41 -1.58 0.00 1.25 5.02 -1.26 -3.09 118.16 114.08 1cnb n LYS 252 Ca -0.00 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 1cnb n LYS 252 Cb 0.29 -4.82 0.00 0.00 -0.02 0.00 0.00 35.03 30.48 1cnb n LYS 252 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1cnb n ASN 253 N -2.69 0.00 -4.16 4.39 2.04 -1.26 -5.00 115.26 108.57 1cnb n ASN 253 Ca -0.09 0.00 -0.37 0.00 -0.44 0.00 0.00 54.58 53.69 1cnb n ASN 253 Cb 0.59 0.00 0.04 0.00 -2.53 0.00 0.00 39.78 37.88 1cnb n ASN 253 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1cnb n ARG 254 N 0.00 0.01 -5.13 -3.83 1.74 -1.18 -4.98 116.66 103.30 1cnb n ARG 254 Ca 0.00 0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.80 1cnb n ARG 254 Cb 0.00 -1.16 -0.16 0.00 -1.02 0.00 0.00 32.46 30.12 1cnb n ARG 254 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1cnb s GLN 255 N -1.92 2.04 -0.24 5.56 0.74 -1.26 -5.00 119.66 119.58 1cnb s GLN 255 Ca 0.49 -0.81 -0.09 0.00 0.05 0.00 0.00 55.36 55.01 1cnb s GLN 255 Cb -0.30 -1.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.91 1cnb s GLN 255 CO 0.74 0.42 0.11 0.42 -0.55 0.00 0.00 175.29 176.43 1cnb s ILE 256 N -0.34 4.81 0.12 -2.34 1.01 -1.26 -4.70 121.20 118.49 1cnb s ILE 256 Ca 0.03 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.71 1cnb s ILE 256 Cb -0.11 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1cnb s ILE 256 CO 0.01 0.35 0.14 -0.54 0.00 0.00 0.00 174.94 174.90 1cnb s LYS 257 N 1.28 3.03 -0.04 2.79 1.02 -0.53 -0.76 119.74 126.54 1cnb s LYS 257 Ca 0.06 -0.71 0.05 0.00 0.02 0.00 0.00 55.97 55.39 1cnb s LYS 257 Cb -0.14 -2.77 -0.02 0.00 -0.52 0.00 0.00 37.83 34.37 1cnb s LYS 257 CO 0.05 0.54 -0.19 0.00 -0.92 0.00 0.00 175.35 174.82 1cnb s ALA 258 N -1.57 2.44 -2.24 5.17 0.00 0.23 0.41 121.76 126.19 1cnb s ALA 258 Ca 0.31 -1.03 0.19 0.00 0.00 0.00 0.00 51.96 51.43 1cnb s ALA 258 Cb -0.11 -0.80 0.62 0.00 0.00 0.00 0.00 23.12 22.83 1cnb s ALA 258 CO 0.24 0.53 1.47 -1.13 0.00 0.00 0.00 175.76 176.87 1cnb n SER 259 N 2.45 1.98 0.00 0.00 3.41 -0.43 -1.29 113.62 119.74 1cnb n SER 259 Ca -0.17 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 1cnb n SER 259 Cb 0.52 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1cnb n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10