#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssf n SER 8 N 0.00 0.00 -2.15 1.20 7.64 -1.26 -5.05 113.62 114.00 1ssf n SER 8 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1ssf n SER 8 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1ssf n SER 8 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1ssf n PHE 9 N 0.00 2.92 1.63 1.43 1.16 -1.26 -4.77 117.46 118.57 1ssf n PHE 9 Ca 0.00 -2.49 0.05 0.00 -1.87 0.00 0.00 57.45 53.14 1ssf n PHE 9 Cb 0.00 -0.64 0.31 0.00 -1.61 0.00 0.00 39.48 37.54 1ssf n PHE 9 CO 0.00 0.00 0.00 1.33 -1.87 0.00 0.00 176.76 176.22 1ssf n VAL 10 N -0.75 0.00 -2.46 1.97 0.24 -1.26 -3.05 118.33 113.02 1ssf n VAL 10 Ca 0.49 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.82 1ssf n VAL 10 Cb 0.85 -0.29 0.04 0.00 -1.47 0.00 0.00 33.84 32.97 1ssf n VAL 10 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ssf n GLY 11 N 0.44 1.43 3.51 7.63 0.00 -1.26 -2.68 105.19 114.26 1ssf n GLY 11 Ca 0.08 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 1ssf n GLY 11 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ssf n LEU 12 N 0.26 -0.40 -4.41 0.99 -0.00 -1.17 -4.73 117.00 107.54 1ssf n LEU 12 Ca 0.07 -0.04 -0.37 0.00 -0.00 0.00 0.00 56.01 55.67 1ssf n LEU 12 Cb 1.08 -1.31 -0.12 0.00 -0.00 0.00 0.00 43.42 43.07 1ssf n LEU 12 CO -0.03 -3.05 -0.26 -0.13 -0.00 0.00 0.00 177.39 173.92 1ssf s ARG 13 N -4.45 3.42 0.35 1.96 0.52 -1.26 -0.71 118.95 118.78 1ssf s ARG 13 Ca 0.68 -0.64 0.07 0.00 -0.52 0.00 0.00 55.73 55.32 1ssf s ARG 13 Cb -0.25 -3.38 -0.07 0.00 0.52 0.00 0.00 34.95 31.77 1ssf s ARG 13 CO 0.64 -0.31 -0.01 0.14 0.02 0.00 0.00 175.30 175.77 1ssf s VAL 14 N 1.58 1.77 0.09 3.52 -7.23 0.11 -0.81 120.40 119.43 1ssf s VAL 14 Ca 0.05 -2.07 0.09 0.00 -1.81 0.00 0.00 61.98 58.24 1ssf s VAL 14 Cb -0.16 -2.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 1ssf s VAL 14 CO 0.04 -0.10 -0.21 0.68 -0.31 0.00 0.00 175.10 175.19 1ssf s VAL 15 N -2.90 2.60 -0.25 1.32 -7.23 -0.96 -0.97 120.40 112.01 1ssf s VAL 15 Ca 0.34 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 1ssf s VAL 15 Cb 0.07 -2.14 0.07 0.00 0.56 0.00 0.00 36.38 34.94 1ssf s VAL 15 CO 0.16 0.18 -0.01 0.00 -0.31 0.00 0.00 175.10 175.12 1ssf s ALA 16 N -1.03 1.79 -0.08 1.32 0.00 0.32 -2.40 121.76 121.68 1ssf s ALA 16 Ca 0.15 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 50.76 1ssf s ALA 16 Cb -0.10 -1.45 0.02 0.00 0.00 0.00 0.00 23.12 21.59 1ssf s ALA 16 CO 0.07 -1.29 -0.07 0.15 0.00 0.00 0.00 175.76 174.62 1ssf s LYS 17 N 1.48 1.29 -0.19 0.00 1.02 -0.79 -0.72 119.74 121.84 1ssf s LYS 17 Ca -0.02 -0.22 -0.17 0.00 0.02 0.00 0.00 55.97 55.59 1ssf s LYS 17 Cb -0.18 -1.28 -0.13 0.00 -0.52 0.00 0.00 37.83 35.72 1ssf s LYS 17 CO -0.09 -0.14 0.04 0.91 -0.92 0.00 0.00 175.35 175.15 1ssf n TRP 18 N 4.43 0.93 -4.36 3.18 7.02 -1.26 -4.15 117.44 123.22 1ssf n TRP 18 Ca -0.18 0.40 -0.31 0.00 -1.02 0.00 0.00 57.50 56.40 1ssf n TRP 18 Cb 0.51 -0.98 -0.10 0.00 -2.42 0.00 0.00 31.31 28.32 1ssf n TRP 18 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1ssf s SER 19 N -6.50 4.42 -0.53 -0.99 1.04 -1.26 -4.89 113.70 105.00 1ssf s SER 19 Ca -0.25 -0.30 -0.27 0.00 0.48 0.00 0.00 55.95 55.61 1ssf s SER 19 Cb 0.05 -0.91 0.03 0.00 0.10 0.00 0.00 66.02 65.30 1ssf s SER 19 CO 0.46 0.22 1.07 -0.44 0.98 0.00 0.00 173.24 175.53 1ssf s SER 20 N -1.85 6.48 0.00 7.02 0.01 -1.26 -4.74 113.70 119.36 1ssf s SER 20 Ca 0.19 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1ssf s SER 20 Cb -0.11 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1ssf s SER 20 CO 0.11 -1.28 0.75 0.59 0.41 0.00 0.00 173.24 173.82 1ssf n ASN 21 N 7.83 1.11 0.00 2.44 4.13 -1.26 -5.02 115.26 124.49 1ssf n ASN 21 Ca 0.07 -1.54 0.00 0.00 1.68 0.00 0.00 54.58 54.80 1ssf n ASN 21 Cb 0.49 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.73 1ssf n ASN 21 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ssf n GLY 22 N -0.27 3.06 3.06 7.41 0.00 -1.26 -5.07 105.19 112.11 1ssf n GLY 22 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1ssf n GLY 22 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ssf s TYR 23 N -2.86 0.64 0.10 1.61 -0.85 -1.26 0.04 117.35 114.77 1ssf s TYR 23 Ca 0.00 -0.50 0.10 0.00 -0.52 0.00 0.00 57.07 56.15 1ssf s TYR 23 Cb 0.00 -0.39 -0.04 0.00 0.38 0.00 0.00 41.96 41.92 1ssf s TYR 23 CO 0.00 -0.09 -0.23 -0.06 -1.52 0.00 0.00 175.55 173.65 1ssf s PHE 24 N -1.38 2.42 0.33 -3.49 0.08 0.09 -4.84 117.98 111.19 1ssf s PHE 24 Ca -0.10 -0.33 0.03 0.00 0.12 0.00 0.00 56.93 56.64 1ssf s PHE 24 Cb -0.10 -1.33 0.06 0.00 -0.57 0.00 0.00 43.02 41.08 1ssf s PHE 24 CO 0.00 0.32 0.45 0.66 -0.10 0.00 0.00 175.22 176.55 1ssf n TYR 25 N 1.07 -2.88 -4.16 0.36 4.01 0.11 -2.66 117.16 113.01 1ssf n TYR 25 Ca -0.17 -0.99 -0.30 0.00 -0.16 0.00 0.00 57.90 56.28 1ssf n TYR 25 Cb 0.53 -0.32 -0.08 0.00 -0.31 0.00 0.00 39.34 39.15 1ssf n TYR 25 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ssf s SER 26 N -2.92 4.89 0.15 7.72 0.15 -1.26 -0.52 113.70 121.91 1ssf s SER 26 Ca 0.32 -0.21 -0.01 0.00 0.70 0.00 0.00 55.95 56.75 1ssf s SER 26 Cb -0.02 -1.13 -0.04 0.00 -1.71 0.00 0.00 66.02 63.12 1ssf s SER 26 CO 0.21 0.18 0.08 -0.83 1.20 0.00 0.00 173.24 174.08 1ssf s GLY 27 N -2.24 1.13 -0.02 9.45 0.00 -0.14 -3.98 107.32 111.52 1ssf s GLY 27 Ca 0.24 -1.55 0.01 0.00 0.00 0.00 0.00 44.72 43.43 1ssf s GLY 27 CO 0.17 -1.38 -0.05 -1.59 0.00 0.00 0.00 173.10 170.26 1ssf s LYS 28 N -4.08 0.61 0.47 2.90 -2.85 0.18 -0.71 119.74 116.25 1ssf s LYS 28 Ca 0.29 -0.13 -0.12 0.00 -1.00 0.00 0.00 55.97 55.01 1ssf s LYS 28 Cb 0.07 -0.63 -0.06 0.00 -2.06 0.00 0.00 37.83 35.15 1ssf s LYS 28 CO 0.05 0.01 0.86 0.96 0.10 0.00 0.00 175.35 177.33 1ssf s ILE 29 N 0.46 4.71 -0.11 3.79 -4.36 0.12 -1.00 121.20 124.81 1ssf s ILE 29 Ca -0.06 0.79 0.04 0.00 -0.26 0.00 0.00 60.65 61.17 1ssf s ILE 29 Cb -0.09 -3.75 -0.09 0.00 1.25 0.00 0.00 42.46 39.77 1ssf s ILE 29 CO -0.00 -0.67 -0.04 0.41 0.24 0.00 0.00 174.94 174.88 1ssf n THR 30 N -1.62 0.66 -3.73 8.37 -1.04 0.55 -4.21 114.28 113.26 1ssf n THR 30 Ca 0.04 -0.32 -0.09 0.00 -2.04 0.00 0.00 64.05 61.64 1ssf n THR 30 Cb 0.54 -0.85 -0.03 0.00 -1.82 0.00 0.00 70.33 68.18 1ssf n THR 30 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1ssf s ARG 31 N -2.23 1.50 -0.14 -2.82 0.52 -0.76 -4.68 118.95 110.34 1ssf s ARG 31 Ca -0.11 -0.85 -0.13 0.00 -0.52 0.00 0.00 55.73 54.12 1ssf s ARG 31 Cb 0.03 0.56 -0.05 0.00 0.52 0.00 0.00 34.95 36.02 1ssf s ARG 31 CO 0.32 -0.66 0.28 0.34 0.02 0.00 0.00 175.30 175.60 1ssf s ASP 32 N -2.87 6.47 -0.19 0.23 2.15 -1.26 -1.36 116.67 119.83 1ssf s ASP 32 Ca 0.09 0.55 -0.06 0.00 0.43 0.00 0.00 52.55 53.56 1ssf s ASP 32 Cb -0.03 -2.17 -0.03 0.00 -0.30 0.00 0.00 42.92 40.39 1ssf s ASP 32 CO -0.01 0.17 0.02 0.68 -0.17 0.00 0.00 175.17 175.86 1ssf s VAL 33 N 0.06 4.18 0.00 1.11 -7.23 -1.23 -4.83 120.40 112.47 1ssf s VAL 33 Ca 0.17 -0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.10 1ssf s VAL 33 Cb -0.13 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 33.92 1ssf s VAL 33 CO 0.05 0.44 0.00 0.61 -0.31 0.00 0.00 175.10 175.88 1ssf n GLY 34 N 4.03 0.82 3.39 2.32 0.00 -1.26 -2.69 105.19 111.80 1ssf n GLY 34 Ca -0.17 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 1ssf n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ssf s ALA 35 N -0.80 3.24 0.00 4.61 0.00 -1.26 -4.35 121.76 123.21 1ssf s ALA 35 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1ssf s ALA 35 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1ssf s ALA 35 CO 0.00 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.03 1ssf n GLY 36 N 4.97 1.60 3.86 0.00 0.00 -1.26 -5.00 105.19 109.36 1ssf n GLY 36 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1ssf n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ssf s LYS 37 N -0.92 2.78 -0.02 1.61 -2.85 -1.09 0.19 119.74 119.44 1ssf s LYS 37 Ca 0.00 -1.25 -0.01 0.00 -1.00 0.00 0.00 55.97 53.71 1ssf s LYS 37 Cb 0.00 -2.51 0.01 0.00 -2.06 0.00 0.00 37.83 33.27 1ssf s LYS 37 CO 0.00 0.12 0.04 0.71 0.10 0.00 0.00 175.35 176.33 1ssf s TYR 38 N -2.28 -0.04 -0.35 1.78 2.02 -0.83 -3.48 117.35 114.17 1ssf s TYR 38 Ca 0.40 0.13 -0.06 0.00 -0.37 0.00 0.00 57.07 57.18 1ssf s TYR 38 Cb -0.06 -0.03 0.05 0.00 -0.40 0.00 0.00 41.96 41.52 1ssf s TYR 38 CO 0.27 -0.04 0.13 0.21 -1.57 0.00 0.00 175.55 174.54 1ssf s LYS 39 N 0.26 2.54 0.10 -0.62 2.47 -0.46 -2.16 119.74 121.88 1ssf s LYS 39 Ca -0.02 -1.29 0.02 0.00 -1.56 0.00 0.00 55.97 53.12 1ssf s LYS 39 Cb -0.03 -3.49 -0.04 0.00 -1.46 0.00 0.00 37.83 32.81 1ssf s LYS 39 CO -0.01 -0.74 -0.07 -0.48 0.16 0.00 0.00 175.35 174.20 1ssf s LEU 40 N 1.37 2.49 0.01 5.43 -0.00 -0.69 -0.33 118.68 126.96 1ssf s LEU 40 Ca -0.00 -0.96 0.05 0.00 -0.00 0.00 0.00 54.13 53.21 1ssf s LEU 40 Cb -0.20 -0.14 -0.02 0.00 -0.00 0.00 0.00 46.19 45.83 1ssf s LEU 40 CO 0.02 -0.41 -0.14 -0.22 -0.00 0.00 0.00 176.35 175.59 1ssf s LEU 41 N -2.93 2.10 0.66 1.48 0.20 -0.17 -1.47 118.68 118.55 1ssf s LEU 41 Ca 0.11 -0.35 -0.16 0.00 0.69 0.00 0.00 54.13 54.41 1ssf s LEU 41 Cb 0.03 -0.66 0.00 0.00 -0.43 0.00 0.00 46.19 45.13 1ssf s LEU 41 CO -0.03 0.10 1.16 -0.36 -0.29 0.00 0.00 176.35 176.93 1ssf s PHE 42 N -0.59 2.41 -0.75 5.38 0.40 -0.14 -0.64 117.98 124.05 1ssf s PHE 42 Ca 0.04 1.56 0.03 0.00 -0.60 0.00 0.00 56.93 57.96 1ssf s PHE 42 Cb -0.07 -3.33 0.18 0.00 0.51 0.00 0.00 43.02 40.31 1ssf s PHE 42 CO 0.00 -2.05 1.04 -0.40 0.70 0.00 0.00 175.22 174.52 1ssf n ASP 43 N -2.26 0.08 -0.25 1.36 5.75 -1.26 0.23 116.55 120.22 1ssf n ASP 43 Ca 0.12 0.48 0.03 0.00 -0.01 0.00 0.00 54.79 55.41 1ssf n ASP 43 Cb 0.51 -0.49 0.04 0.00 -1.03 0.00 0.00 41.12 40.15 1ssf n ASP 43 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1ssf n ASP 44 N -1.57 1.69 -0.05 -1.12 5.68 -1.26 -5.05 116.55 114.87 1ssf n ASP 44 Ca -0.00 -1.40 0.00 0.00 -0.50 0.00 0.00 54.79 52.89 1ssf n ASP 44 Cb 0.07 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1ssf n ASP 44 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ssf n GLY 45 N 0.25 1.05 2.98 6.12 0.00 0.14 -5.10 105.19 110.63 1ssf n GLY 45 Ca 0.04 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1ssf n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ssf s TYR 46 N -2.09 3.30 0.11 1.61 5.04 -1.25 -4.83 117.35 119.24 1ssf s TYR 46 Ca 0.00 -2.64 -0.01 0.00 -2.44 0.00 0.00 57.07 51.99 1ssf s TYR 46 Cb 0.00 -2.51 -0.04 0.00 0.35 0.00 0.00 41.96 39.76 1ssf s TYR 46 CO 0.00 -0.92 0.28 -2.00 -1.34 0.00 0.00 175.55 171.58 1ssf s GLU 47 N 1.07 3.49 0.25 4.97 2.12 -1.26 -0.97 118.70 128.37 1ssf s GLU 47 Ca 0.07 -0.36 -0.20 0.00 0.36 0.00 0.00 54.97 54.83 1ssf s GLU 47 Cb -0.19 -2.96 0.07 0.00 0.26 0.00 0.00 34.13 31.31 1ssf s GLU 47 CO -0.10 0.54 0.95 0.00 -0.54 0.00 0.00 175.26 176.11 1ssf s ASP 49 N -3.26 2.23 0.19 0.00 1.11 -1.26 -1.71 116.67 113.97 1ssf s ASP 49 Ca 0.19 -0.36 -0.09 0.00 0.18 0.00 0.00 52.55 52.47 1ssf s ASP 49 Cb -0.03 -0.49 -0.01 0.00 1.07 0.00 0.00 42.92 43.45 1ssf s ASP 49 CO 0.07 0.19 0.32 0.68 1.18 0.00 0.00 175.17 177.60 1ssf s VAL 50 N -0.14 0.04 0.17 -1.27 -7.23 -0.92 -5.01 120.40 106.04 1ssf s VAL 50 Ca 0.00 -1.45 -0.24 0.00 -1.81 0.00 0.00 61.98 58.48 1ssf s VAL 50 Cb -0.10 -2.00 -0.08 0.00 0.56 0.00 0.00 36.38 34.76 1ssf s VAL 50 CO 0.01 -0.18 0.75 -0.22 -0.31 0.00 0.00 175.10 175.15 1ssf s LEU 51 N -3.00 4.56 0.25 1.32 1.98 -1.26 -1.97 118.68 120.56 1ssf s LEU 51 Ca 0.21 1.59 0.11 0.00 -2.89 0.00 0.00 54.13 53.15 1ssf s LEU 51 Cb 0.03 -3.30 0.25 0.00 0.66 0.00 0.00 46.19 43.83 1ssf s LEU 51 CO 0.04 0.20 1.54 1.23 -1.89 0.00 0.00 176.35 177.46 1ssf h GLY 52 N 4.24 0.00 0.97 7.98 0.00 -0.47 -3.25 103.07 112.54 1ssf h GLY 52 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1ssf h GLY 52 CO 0.66 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.78 1ssf n LYS 53 N -3.64 0.05 0.00 4.80 -0.00 -1.26 -1.80 118.16 116.30 1ssf n LYS 53 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1ssf n LYS 53 Cb 0.68 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 34.23 1ssf n LYS 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ssf n ASP 54 N -0.99 0.00 -4.09 -5.58 8.00 -1.23 -4.94 116.55 107.73 1ssf n ASP 54 Ca 0.01 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.17 1ssf n ASP 54 Cb 0.00 -0.13 -0.13 0.00 -0.02 0.00 0.00 41.12 40.85 1ssf n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ssf s ILE 55 N -0.48 2.87 0.13 0.53 1.09 -0.75 -1.88 121.20 122.72 1ssf s ILE 55 Ca 0.00 -2.03 0.02 0.00 -1.10 0.00 0.00 60.65 57.54 1ssf s ILE 55 Cb 0.00 -2.95 -0.04 0.00 -1.06 0.00 0.00 42.46 38.40 1ssf s ILE 55 CO 0.00 -0.55 -0.04 -1.48 -0.10 0.00 0.00 174.94 172.77 1ssf s LEU 56 N 1.08 2.36 -0.64 2.97 0.05 -1.01 -4.43 118.68 119.05 1ssf s LEU 56 Ca 0.06 -1.07 -0.30 0.00 0.05 0.00 0.00 54.13 52.88 1ssf s LEU 56 Cb -0.21 -0.10 -0.13 0.00 -2.05 0.00 0.00 46.19 43.70 1ssf s LEU 56 CO -0.05 -0.49 2.47 0.00 -0.55 0.00 0.00 176.35 177.73 1ssf n LEU 57 N -0.13 1.55 -4.60 1.48 -0.00 -1.26 -2.27 117.00 111.76 1ssf n LEU 57 Ca -0.10 -0.07 -0.28 0.00 -0.00 0.00 0.00 56.01 55.56 1ssf n LEU 57 Cb 0.62 -1.28 -0.09 0.00 -0.00 0.00 0.00 43.42 42.67 1ssf n LEU 57 CO 0.32 -1.10 -0.24 0.00 -0.00 0.00 0.00 177.39 176.37 1ssf h ASP 59 N 1.70 0.45 0.00 0.00 1.82 -1.84 -3.36 116.42 115.20 1ssf h ASP 59 Ca -0.40 -0.88 0.00 0.00 -0.39 0.00 0.00 57.03 55.35 1ssf h ASP 59 Cb 1.28 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 41.14 1ssf h ASP 59 CO 0.68 1.62 0.00 -0.81 -1.61 0.00 0.00 179.24 179.13 1ssf n PRO 60 N -3.89 0.00 -4.40 0.28 -0.04 -1.26 -4.88 135.00 120.81 1ssf n PRO 60 Ca -0.23 0.16 -0.21 0.00 -0.04 0.00 0.00 63.50 63.18 1ssf n PRO 60 Cb 0.93 -1.06 -0.10 0.00 -0.04 0.00 0.00 33.50 33.23 1ssf n PRO 60 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ssf s ILE 61 N -1.23 1.92 0.05 0.52 1.01 -1.26 -5.02 121.20 117.19 1ssf s ILE 61 Ca 0.00 -2.25 -0.35 0.00 0.00 0.00 0.00 60.65 58.05 1ssf s ILE 61 Cb 0.00 -2.20 -0.14 0.00 0.01 0.00 0.00 42.46 40.13 1ssf s ILE 61 CO 0.00 -0.48 1.60 -2.65 0.00 0.00 0.00 174.94 173.41 1ssf n PRO 62 N -0.49 1.82 0.00 2.79 -0.02 -1.26 -4.86 135.00 132.98 1ssf n PRO 62 Ca -0.07 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1ssf n PRO 62 Cb 0.61 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1ssf n PRO 62 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ssf n LEU 63 N 4.06 0.00 -1.21 2.45 4.32 -1.26 -0.79 117.00 124.57 1ssf n LEU 63 Ca 0.19 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 56.20 1ssf n LEU 63 Cb 0.25 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 1ssf n LEU 63 CO 0.67 0.00 0.15 0.47 -1.22 0.00 0.00 177.39 177.45 1ssf n ASP 64 N -0.00 0.48 -4.17 -1.43 8.00 -1.07 -4.43 116.55 113.92 1ssf n ASP 64 Ca 0.00 -1.96 -0.36 0.00 0.71 0.00 0.00 54.79 53.18 1ssf n ASP 64 Cb 0.00 -0.18 -0.13 0.00 -0.02 0.00 0.00 41.12 40.80 1ssf n ASP 64 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ssf s THR 65 N 0.00 3.25 -0.75 -3.53 2.01 0.03 -4.92 115.64 111.74 1ssf s THR 65 Ca 0.22 -1.59 -0.26 0.00 0.31 0.00 0.00 61.69 60.37 1ssf s THR 65 Cb 0.25 -3.00 -0.06 0.00 0.01 0.00 0.00 72.50 69.69 1ssf s THR 65 CO -0.11 -0.34 2.07 -0.70 -0.69 0.00 0.00 174.62 174.85 1ssf s GLU 66 N 1.24 2.33 0.46 4.92 2.56 -1.26 -0.59 118.70 128.36 1ssf s GLU 66 Ca 0.01 0.32 0.07 0.00 0.00 0.00 0.00 54.97 55.36 1ssf s GLU 66 Cb -0.21 -4.77 -0.00 0.00 2.00 0.00 0.00 34.13 31.15 1ssf s GLU 66 CO -0.02 -3.40 0.37 0.14 -0.56 0.00 0.00 175.26 171.79 1ssf s VAL 67 N 11.00 2.27 -0.01 3.70 -7.23 0.28 -4.83 120.40 125.57 1ssf s VAL 67 Ca 0.77 -1.44 -0.05 0.00 -1.81 0.00 0.00 61.98 59.46 1ssf s VAL 67 Cb -0.11 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 1ssf s VAL 67 CO 0.10 0.00 0.21 0.28 -0.31 0.00 0.00 175.10 175.38 1ssf s THR 68 N -2.59 5.39 -0.03 5.32 -1.32 -1.07 -0.91 115.64 120.42 1ssf s THR 68 Ca 0.43 0.02 0.03 0.00 -1.21 0.00 0.00 61.69 60.97 1ssf s THR 68 Cb -0.02 -3.53 -0.03 0.00 -1.51 0.00 0.00 72.50 67.41 1ssf s THR 68 CO 0.25 0.38 -0.12 0.00 -2.21 0.00 0.00 174.62 172.92 1ssf s ALA 69 N -1.28 2.79 -0.64 11.08 0.00 0.72 -1.82 121.76 132.61 1ssf s ALA 69 Ca 0.26 -0.99 -0.26 0.00 0.00 0.00 0.00 51.96 50.97 1ssf s ALA 69 Cb -0.13 -1.03 -0.06 0.00 0.00 0.00 0.00 23.12 21.91 1ssf s ALA 69 CO 0.16 0.57 2.13 -1.17 0.00 0.00 0.00 175.76 177.45 1ssf s LEU 70 N -0.94 3.25 0.20 0.00 1.98 -0.11 -3.82 118.68 119.24 1ssf s LEU 70 Ca 0.13 0.39 0.00 0.00 -2.89 0.00 0.00 54.13 51.76 1ssf s LEU 70 Cb -0.11 -2.53 -0.04 0.00 0.66 0.00 0.00 46.19 44.17 1ssf s LEU 70 CO 0.02 -2.80 0.08 -0.94 -1.89 0.00 0.00 176.35 170.82 1ssf s SER 71 N 9.82 0.69 0.90 3.68 1.04 -1.26 -5.05 113.70 123.51 1ssf s SER 71 Ca 0.81 -1.31 -0.16 0.00 0.48 0.00 0.00 55.95 55.77 1ssf s SER 71 Cb -0.13 0.25 -0.14 0.00 0.10 0.00 0.00 66.02 66.10 1ssf s SER 71 CO 0.17 -0.74 -0.71 -1.84 0.98 0.00 0.00 173.24 171.11 1ssf n GLU 72 N -0.29 0.00 -0.09 4.02 0.00 -1.26 -4.37 120.64 118.64 1ssf n GLU 72 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.08 1ssf n GLU 72 Cb 0.65 -0.92 0.00 0.00 0.00 0.00 0.00 31.44 31.17 1ssf n GLU 72 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1ssf h ASP 73 N -0.87 -0.40 -0.01 -1.84 3.58 -2.00 0.28 116.42 115.16 1ssf h ASP 73 Ca -0.40 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1ssf h ASP 73 Cb 1.20 0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.50 1ssf h ASP 73 CO 0.22 -0.14 -0.24 -0.62 -2.88 0.00 0.00 179.24 175.58 1ssf n GLU 74 N -5.30 2.11 -0.01 0.28 1.02 -1.26 -4.73 120.64 112.74 1ssf n GLU 74 Ca 0.01 -0.60 0.01 0.00 -0.02 0.00 0.00 57.16 56.56 1ssf n GLU 74 Cb 0.21 -1.10 0.01 0.00 -0.02 0.00 0.00 31.44 30.55 1ssf n GLU 74 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1ssf n TYR 75 N -0.29 0.03 -1.33 -0.32 4.01 -1.07 -5.08 117.16 113.12 1ssf n TYR 75 Ca 0.04 -0.31 -0.36 0.00 -0.16 0.00 0.00 57.90 57.12 1ssf n TYR 75 Cb 0.22 -0.03 0.08 0.00 -0.31 0.00 0.00 39.34 39.30 1ssf n TYR 75 CO 0.00 0.00 0.00 1.97 -0.46 0.00 0.00 176.86 178.37 1ssf n PHE 76 N -0.20 0.28 -4.33 -0.72 1.16 0.06 -4.68 117.46 109.03 1ssf n PHE 76 Ca 0.01 0.38 -0.28 0.00 -1.87 0.00 0.00 57.45 55.70 1ssf n PHE 76 Cb 0.18 -2.04 -0.11 0.00 -1.61 0.00 0.00 39.48 35.91 1ssf n PHE 76 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 1ssf s SER 77 N -1.59 3.92 0.19 5.98 0.01 -1.25 -4.93 113.70 116.04 1ssf s SER 77 Ca 0.71 -0.65 -0.05 0.00 1.31 0.00 0.00 55.95 57.27 1ssf s SER 77 Cb -0.35 -0.54 -0.06 0.00 0.21 0.00 0.00 66.02 65.29 1ssf s SER 77 CO 0.52 0.13 0.44 0.00 0.41 0.00 0.00 173.24 174.74 1ssf s ALA 78 N -1.54 3.73 0.23 1.44 0.00 -1.26 -0.20 121.76 124.15 1ssf s ALA 78 Ca 0.22 -0.55 -0.21 0.00 0.00 0.00 0.00 51.96 51.42 1ssf s ALA 78 Cb -0.09 -2.20 0.04 0.00 0.00 0.00 0.00 23.12 20.87 1ssf s ALA 78 CO 0.12 0.53 0.66 0.20 0.00 0.00 0.00 175.76 177.27 1ssf s GLY 79 N -2.66 -0.29 -0.25 0.00 0.00 -0.09 -4.85 107.32 99.18 1ssf s GLY 79 Ca 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 44.72 45.07 1ssf s GLY 79 CO 0.26 -0.01 0.08 0.14 0.00 0.00 0.00 173.10 173.57 1ssf s VAL 80 N -3.85 4.47 0.13 1.40 1.01 0.13 -0.55 120.40 123.14 1ssf s VAL 80 Ca 0.07 -0.12 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 1ssf s VAL 80 Cb -0.04 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.16 1ssf s VAL 80 CO -0.01 0.34 1.57 0.68 0.00 0.00 0.00 175.10 177.68 1ssf s VAL 81 N 1.53 2.83 0.00 2.92 -7.23 0.24 0.46 120.40 121.15 1ssf s VAL 81 Ca 0.06 0.51 0.00 0.00 -1.81 0.00 0.00 61.98 60.74 1ssf s VAL 81 Cb -0.15 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.46 1ssf s VAL 81 CO 0.04 0.03 0.00 0.29 -0.31 0.00 0.00 175.10 175.15 1ssf n LYS 82 N 4.48 0.00 -4.05 4.82 5.02 -1.01 -2.59 118.16 124.82 1ssf n LYS 82 Ca 0.14 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.25 1ssf n LYS 82 Cb 0.40 -0.25 -0.16 0.00 -0.02 0.00 0.00 35.03 35.00 1ssf n LYS 82 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ssf s GLY 83 N -4.69 0.33 0.07 0.72 0.00 -1.24 -4.91 107.32 97.60 1ssf s GLY 83 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 44.72 44.70 1ssf s GLY 83 CO 0.00 0.46 0.15 -2.38 0.00 0.00 0.00 173.10 171.33 1ssf s HIS 84 N 0.87 0.20 0.15 1.90 -3.43 -1.26 -0.82 115.29 112.89 1ssf s HIS 84 Ca -0.10 -0.61 -0.15 0.00 -0.80 0.00 0.00 55.06 53.40 1ssf s HIS 84 Cb -0.13 -0.12 0.02 0.00 -1.43 0.00 0.00 32.58 30.93 1ssf s HIS 84 CO -0.01 -0.49 0.39 -0.98 -2.00 0.00 0.00 174.74 171.66 1ssf s ARG 85 N -3.59 1.14 -0.03 -0.38 1.04 -0.62 -5.03 118.95 111.49 1ssf s ARG 85 Ca 0.03 -0.85 0.00 0.00 -1.04 0.00 0.00 55.73 53.88 1ssf s ARG 85 Cb 0.04 0.45 0.03 0.00 -2.04 0.00 0.00 34.95 33.43 1ssf s ARG 85 CO -0.09 -0.45 0.01 0.21 -0.04 0.00 0.00 175.30 174.94 1ssf s LYS 86 N -3.85 0.26 0.26 3.89 2.20 -1.26 -2.57 119.74 118.67 1ssf s LYS 86 Ca 0.07 0.10 0.07 0.00 -0.36 0.00 0.00 55.97 55.85 1ssf s LYS 86 Cb 0.02 -0.47 -0.04 0.00 -1.51 0.00 0.00 37.83 35.83 1ssf s LYS 86 CO -0.08 -0.15 0.19 -2.00 -0.36 0.00 0.00 175.35 172.95 1ssf s GLU 87 N 1.11 2.86 -0.44 4.03 2.12 -0.00 -5.02 118.70 123.35 1ssf s GLU 87 Ca -0.09 -1.11 -0.17 0.00 0.36 0.00 0.00 54.97 53.97 1ssf s GLU 87 Cb -0.13 -2.52 -0.17 0.00 0.26 0.00 0.00 34.13 31.57 1ssf s GLU 87 CO -0.02 0.37 1.69 0.43 -0.54 0.00 0.00 175.26 177.19 1ssf n SER 88 N -1.17 2.10 0.00 -1.70 7.64 -1.26 -2.24 113.62 116.98 1ssf n SER 88 Ca -0.07 -2.43 0.00 0.00 1.01 0.00 0.00 58.87 57.38 1ssf n SER 88 Cb 0.58 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1ssf n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ssf n GLY 89 N 4.41 1.56 2.89 0.23 0.00 -1.26 -5.13 105.19 107.90 1ssf n GLY 89 Ca 0.38 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.28 1ssf n GLY 89 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ssf s GLU 90 N -0.12 0.03 -0.04 1.61 2.12 -0.95 -5.17 118.70 116.18 1ssf s GLU 90 Ca 0.00 0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.38 1ssf s GLU 90 Cb 0.00 0.01 0.01 0.00 0.26 0.00 0.00 34.13 34.41 1ssf s GLU 90 CO 0.00 -0.01 -0.07 -1.17 -0.54 0.00 0.00 175.26 173.47 1ssf s LEU 91 N 0.04 1.55 -0.07 2.70 0.20 -1.26 -0.82 118.68 121.00 1ssf s LEU 91 Ca -0.00 -0.17 -0.03 0.00 0.69 0.00 0.00 54.13 54.62 1ssf s LEU 91 Cb -0.00 -0.52 0.04 0.00 -0.43 0.00 0.00 46.19 45.28 1ssf s LEU 91 CO -0.00 -0.00 0.16 -0.72 -0.29 0.00 0.00 176.35 175.50 1ssf s TYR 92 N 0.61 -0.19 -0.24 5.38 1.13 -1.06 -3.17 117.35 119.80 1ssf s TYR 92 Ca -0.09 0.55 -0.05 0.00 -1.41 0.00 0.00 57.07 56.06 1ssf s TYR 92 Cb -0.12 -0.10 -0.01 0.00 -1.10 0.00 0.00 41.96 40.63 1ssf s TYR 92 CO 0.01 -0.20 0.02 -0.47 -2.51 0.00 0.00 175.55 172.40 1ssf s TYR 93 N 1.39 3.04 -0.44 -3.49 5.04 0.29 -1.58 117.35 121.59 1ssf s TYR 93 Ca -0.07 -0.78 -0.20 0.00 -2.44 0.00 0.00 57.07 53.58 1ssf s TYR 93 Cb -0.12 -2.17 0.03 0.00 0.35 0.00 0.00 41.96 40.05 1ssf s TYR 93 CO -0.06 -0.49 0.63 -1.54 -1.34 0.00 0.00 175.55 172.75 1ssf s SER 94 N 1.53 6.31 -0.34 4.32 1.04 -0.00 -1.54 113.70 125.00 1ssf s SER 94 Ca 0.05 -0.40 -0.13 0.00 0.48 0.00 0.00 55.95 55.95 1ssf s SER 94 Cb -0.15 -2.31 -0.02 0.00 0.10 0.00 0.00 66.02 63.64 1ssf s SER 94 CO 0.00 -0.78 0.25 -0.63 0.98 0.00 0.00 173.24 173.06 1ssf s ILE 95 N 2.78 5.28 -0.45 -1.02 -1.09 -0.02 -2.42 121.20 124.26 1ssf s ILE 95 Ca 0.21 -0.23 -0.24 0.00 -2.23 0.00 0.00 60.65 58.17 1ssf s ILE 95 Cb -0.15 -3.73 0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1ssf s ILE 95 CO 0.18 -0.03 0.82 -0.70 -1.23 0.00 0.00 174.94 173.99 1ssf s GLU 96 N 1.73 3.46 -0.06 2.79 -6.30 0.17 -0.40 118.70 120.09 1ssf s GLU 96 Ca 0.06 -0.01 -0.03 0.00 -2.50 0.00 0.00 54.97 52.49 1ssf s GLU 96 Cb -0.17 -3.93 0.04 0.00 0.00 0.00 0.00 34.13 30.06 1ssf s GLU 96 CO 0.11 -1.13 0.14 0.21 0.02 0.00 0.00 175.26 174.61 1ssf s LYS 97 N 3.40 0.10 0.00 4.30 2.47 0.20 -0.69 119.74 129.52 1ssf s LYS 97 Ca 0.32 0.35 0.00 0.00 -1.56 0.00 0.00 55.97 55.08 1ssf s LYS 97 Cb -0.12 -0.16 0.00 0.00 -1.46 0.00 0.00 37.83 36.10 1ssf s LYS 97 CO 0.23 -0.15 0.00 -1.91 0.16 0.00 0.00 175.35 173.68 1ssf n GLU 98 N 4.10 -0.45 0.00 4.03 4.07 -1.26 -1.55 120.64 129.57 1ssf n GLU 98 Ca -0.25 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 56.96 1ssf n GLU 98 Cb 0.52 -3.98 0.00 0.00 -0.06 0.00 0.00 31.44 27.93 1ssf n GLU 98 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ssf n GLY 99 N -1.44 0.97 3.39 8.31 0.00 -1.26 -5.11 105.19 110.05 1ssf n GLY 99 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1ssf n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ssf s GLN 100 N -0.27 1.55 -0.23 1.61 1.03 -0.60 -5.14 119.66 117.61 1ssf s GLN 100 Ca 0.00 -1.85 -0.11 0.00 0.04 0.00 0.00 55.36 53.43 1ssf s GLN 100 Cb 0.00 -0.60 -0.05 0.00 0.03 0.00 0.00 33.01 32.39 1ssf s GLN 100 CO 0.00 -0.24 0.20 1.03 -2.54 0.00 0.00 175.29 173.74 1ssf s ARG 101 N -3.95 4.08 -0.29 9.60 3.00 -1.26 0.61 118.95 130.75 1ssf s ARG 101 Ca 0.37 -0.19 -0.09 0.00 0.00 0.00 0.00 55.73 55.82 1ssf s ARG 101 Cb 0.08 -3.54 -0.02 0.00 0.00 0.00 0.00 34.95 31.47 1ssf s ARG 101 CO 0.15 0.03 0.13 0.15 0.00 0.00 0.00 175.30 175.76 1ssf s LYS 102 N 1.13 3.51 -0.45 3.54 1.02 0.46 -4.92 119.74 124.03 1ssf s LYS 102 Ca 0.10 -0.60 -0.16 0.00 0.02 0.00 0.00 55.97 55.33 1ssf s LYS 102 Cb -0.14 -3.49 0.05 0.00 -0.52 0.00 0.00 37.83 33.73 1ssf s LYS 102 CO 0.05 -0.31 0.39 -1.58 -0.92 0.00 0.00 175.35 172.98 1ssf s TRP 103 N 1.63 3.22 0.03 3.18 0.52 -1.26 -0.84 118.94 125.41 1ssf s TRP 103 Ca 0.05 -0.70 0.07 0.00 0.02 0.00 0.00 56.10 55.54 1ssf s TRP 103 Cb -0.16 -2.96 -0.02 0.00 -1.15 0.00 0.00 33.47 29.17 1ssf s TRP 103 CO 0.06 -0.73 -0.19 0.71 0.02 0.00 0.00 176.95 176.81 1ssf s TYR 104 N 1.81 1.71 0.12 -1.98 2.02 -0.59 -4.86 117.35 115.57 1ssf s TYR 104 Ca 0.06 -0.35 -0.31 0.00 -0.37 0.00 0.00 57.07 56.10 1ssf s TYR 104 Cb -0.21 -1.04 -0.08 0.00 -0.40 0.00 0.00 41.96 40.23 1ssf s TYR 104 CO 0.09 0.05 1.46 -1.59 -1.57 0.00 0.00 175.55 173.99 1ssf s LYS 105 N -0.95 4.28 0.35 -0.62 -2.85 -1.19 -0.55 119.74 118.21 1ssf s LYS 105 Ca 0.07 2.17 0.14 0.00 -1.00 0.00 0.00 55.97 57.35 1ssf s LYS 105 Cb -0.08 -3.27 0.48 0.00 -2.06 0.00 0.00 37.83 32.90 1ssf s LYS 105 CO 0.01 -0.52 0.73 0.54 0.10 0.00 0.00 175.35 176.21 1ssf n ARG 106 N 4.17 0.01 0.20 1.78 1.74 -1.26 -2.42 116.66 120.88 1ssf n ARG 106 Ca 0.13 0.58 0.14 0.00 -0.77 0.00 0.00 57.85 57.93 1ssf n ARG 106 Cb 0.41 -1.46 0.67 0.00 -1.02 0.00 0.00 32.46 31.07 1ssf n ARG 106 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ssf h MET 107 N 0.00 0.00 -0.36 5.56 -0.00 -1.93 -2.60 114.93 115.61 1ssf h MET 107 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.96 1ssf h MET 107 Cb 1.65 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.25 1ssf h MET 107 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 176.91 1ssf n ALA 108 N -1.88 2.45 -2.52 -3.00 0.00 -1.02 -4.70 120.51 109.85 1ssf n ALA 108 Ca -0.00 -0.68 -0.25 0.00 0.00 0.00 0.00 53.44 52.51 1ssf n ALA 108 Cb 0.15 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 18.49 1ssf n ALA 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ssf s VAL 109 N -1.52 1.77 0.22 0.00 -7.23 -0.98 -0.93 120.40 111.74 1ssf s VAL 109 Ca 0.28 -1.54 0.02 0.00 -1.81 0.00 0.00 61.98 58.94 1ssf s VAL 109 Cb 0.15 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.44 1ssf s VAL 109 CO 0.20 -0.02 0.03 -0.63 -0.31 0.00 0.00 175.10 174.37 1ssf s ILE 110 N -1.12 0.78 0.04 -0.62 1.09 -0.76 -4.74 121.20 115.89 1ssf s ILE 110 Ca 0.07 -2.00 -0.08 0.00 -1.10 0.00 0.00 60.65 57.54 1ssf s ILE 110 Cb -0.10 -2.36 -0.00 0.00 -1.06 0.00 0.00 42.46 38.94 1ssf s ILE 110 CO 0.04 -0.28 0.15 -1.48 -0.10 0.00 0.00 174.94 173.27 1ssf s LEU 111 N -3.27 1.55 0.32 2.97 0.05 -1.09 -2.60 118.68 116.63 1ssf s LEU 111 Ca 0.30 -0.46 0.06 0.00 0.05 0.00 0.00 54.13 54.08 1ssf s LEU 111 Cb 0.06 0.81 -0.01 0.00 -2.05 0.00 0.00 46.19 45.01 1ssf s LEU 111 CO 0.09 -0.55 0.44 -0.94 -0.55 0.00 0.00 176.35 174.84 1ssf s SER 112 N -2.16 5.96 0.13 1.48 1.04 -1.26 -0.73 113.70 118.16 1ssf s SER 112 Ca -0.04 -0.18 -0.23 0.00 0.48 0.00 0.00 55.95 55.98 1ssf s SER 112 Cb -0.01 -1.28 -0.02 0.00 0.10 0.00 0.00 66.02 64.82 1ssf s SER 112 CO -0.05 -0.38 1.66 -0.07 0.98 0.00 0.00 173.24 175.38 1ssf h LEU 113 N 0.95 -0.55 -1.72 2.42 3.38 -0.76 -2.57 115.31 116.46 1ssf h LEU 113 Ca -0.46 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1ssf h LEU 113 Cb 1.25 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1ssf h LEU 113 CO 0.54 -0.23 0.00 -0.33 0.09 0.00 0.00 178.44 178.51 1ssf h GLU 114 N -0.22 0.00 0.00 1.13 5.08 -1.97 1.20 114.58 119.80 1ssf h GLU 114 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1ssf h GLU 114 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ssf h GLU 114 CO -0.26 0.00 -0.14 1.04 -1.00 0.00 0.00 179.01 178.65 1ssf n GLN 115 N -2.83 0.13 -0.07 2.33 6.02 -1.10 -2.88 117.38 118.98 1ssf n GLN 115 Ca -0.00 0.09 -0.21 0.00 -0.01 0.00 0.00 57.00 56.87 1ssf n GLN 115 Cb 0.20 -1.63 -0.13 0.00 1.02 0.00 0.00 30.24 29.70 1ssf n GLN 115 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ssf n GLY 116 N 1.41 -0.49 0.18 1.08 0.00 0.50 -4.60 105.19 103.27 1ssf n GLY 116 Ca 0.06 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.93 1ssf n GLY 116 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ssf h ASN 117 N -0.14 0.00 -0.21 1.61 -0.26 0.13 0.31 115.58 117.01 1ssf h ASN 117 Ca -0.51 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.18 1ssf h ASN 117 Cb 1.88 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 39.13 1ssf h ASN 117 CO -0.06 0.42 -0.02 0.08 -1.06 0.00 0.00 177.43 176.79 1ssf h ARG 118 N 0.00 0.52 0.07 0.81 0.11 -1.77 -3.19 114.38 110.92 1ssf h ARG 118 Ca -0.00 -0.12 -0.26 0.00 0.10 0.00 0.00 59.98 59.70 1ssf h ARG 118 Cb 0.97 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.96 1ssf h ARG 118 CO 0.05 0.56 -1.40 1.25 0.10 0.00 0.00 179.97 180.53 1ssf h LEU 119 N 0.49 0.22 -1.81 0.08 6.46 -1.78 -3.44 115.31 115.53 1ssf h LEU 119 Ca 0.10 -0.75 0.55 0.00 -0.12 0.00 0.00 57.88 57.66 1ssf h LEU 119 Cb 0.35 -0.07 -0.09 0.00 -0.73 0.00 0.00 40.66 40.12 1ssf h LEU 119 CO 0.01 1.59 1.28 -2.11 -0.62 0.00 0.00 178.44 178.59 1ssf n ARG 120 N -4.06 -0.01 -0.01 1.25 -4.01 0.11 0.01 116.66 109.94 1ssf n ARG 120 Ca -0.28 1.12 -0.10 0.00 -1.04 0.00 0.00 57.85 57.55 1ssf n ARG 120 Cb 0.82 -2.47 -0.14 0.00 -3.04 0.00 0.00 32.46 27.63 1ssf n ARG 120 CO 0.00 0.00 0.00 1.05 -3.04 0.00 0.00 177.63 175.64 1ssf h GLU 121 N 0.00 0.04 0.00 2.89 4.11 -1.85 -2.58 114.58 117.19 1ssf h GLU 121 Ca 0.92 -0.06 -0.41 0.00 0.07 0.00 0.00 59.36 59.88 1ssf h GLU 121 Cb 3.51 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 32.72 1ssf h GLU 121 CO -0.13 0.64 -2.48 0.00 0.07 0.00 0.00 179.01 177.11 1ssf n GLN 122 N -3.14 0.64 0.00 1.06 10.64 0.10 -4.88 117.38 121.80 1ssf n GLN 122 Ca -0.16 0.18 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 1ssf n GLN 122 Cb 1.04 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 28.90 1ssf n GLN 122 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1ssf n TYR 123 N -3.48 0.00 0.00 2.61 4.01 1.00 -5.08 117.16 116.22 1ssf n TYR 123 Ca -0.48 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.11 1ssf n TYR 123 Cb 0.97 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.98 1ssf n TYR 123 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ssf n GLY 124 N -0.16 -1.30 0.21 2.72 0.00 -1.25 -4.40 105.19 101.02 1ssf n GLY 124 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1ssf n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ssf n LEU 125 N 0.00 0.00 -3.06 0.99 7.99 -1.24 -3.82 117.00 117.86 1ssf n LEU 125 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.05 1ssf n LEU 125 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1ssf n LEU 125 CO 0.00 0.00 0.59 -0.83 -1.51 0.00 0.00 177.39 175.64 1ssf s GLY 126 N -0.68 -1.02 0.25 -0.72 0.00 -0.97 -4.81 107.32 99.38 1ssf s GLY 126 Ca 0.00 2.13 0.16 0.00 0.00 0.00 0.00 44.72 47.02 1ssf s GLY 126 CO 0.00 4.24 1.34 -0.56 0.00 0.00 0.00 173.10 178.12 1ssf h PRO 127 N 6.70 0.00 -6.32 2.90 0.13 -1.84 -3.45 132.00 130.12 1ssf h PRO 127 Ca -0.10 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.42 1ssf h PRO 127 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 1ssf h PRO 127 CO -0.14 0.40 -0.75 -0.47 -0.23 0.00 0.00 178.00 176.81 1ssf s TYR 128 N -2.99 2.39 -2.60 1.56 5.04 -1.26 -4.91 117.35 114.57 1ssf s TYR 128 Ca 0.03 -0.31 0.21 0.00 -2.44 0.00 0.00 57.07 54.56 1ssf s TYR 128 Cb 0.08 -1.08 0.16 0.00 0.35 0.00 0.00 41.96 41.47 1ssf s TYR 128 CO 0.75 0.64 1.16 -0.85 -1.34 0.00 0.00 175.55 175.91