#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 -0.62 -3.56 0.53 7.64 -1.26 -5.04 113.62 111.31 1ssf n SER 8 Ca 0.00 -1.17 -0.41 0.00 1.01 0.00 0.00 58.87 58.31 1ssf n SER 8 Cb 0.00 0.97 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 1ssf n SER 8 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ssf n PHE 9 N -0.43 2.65 1.60 1.43 3.72 -1.26 -4.55 117.46 120.61 1ssf n PHE 9 Ca 0.02 -2.77 0.08 0.00 -0.05 0.00 0.00 57.45 54.73 1ssf n PHE 9 Cb 0.28 -1.72 0.37 0.00 -0.94 0.00 0.00 39.48 37.47 1ssf n PHE 9 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1ssf n VAL 10 N 1.59 0.13 -2.60 -4.37 0.24 -1.26 -3.80 118.33 108.25 1ssf n VAL 10 Ca 0.56 -0.18 -0.02 0.00 -2.04 0.00 0.00 64.34 62.66 1ssf n VAL 10 Cb 0.26 0.04 0.10 0.00 -1.47 0.00 0.00 33.84 32.77 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 0.91 1.82 3.98 7.63 0.00 -1.26 -4.75 105.19 113.52 1ssf n GLY 11 Ca 0.13 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 1ssf n GLY 11 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ssf s LEU 12 N -3.52 3.65 -0.20 0.99 1.98 -1.26 -5.02 118.68 115.31 1ssf s LEU 12 Ca 0.10 -0.03 -0.04 0.00 -2.89 0.00 0.00 54.13 51.27 1ssf s LEU 12 Cb 0.38 -2.90 -0.02 0.00 0.66 0.00 0.00 46.19 44.32 1ssf s LEU 12 CO -0.11 -0.74 -0.04 -0.60 -1.89 0.00 0.00 176.35 172.97 1ssf s ARG 13 N -4.47 3.48 0.39 1.98 6.06 -1.26 -2.54 118.95 122.60 1ssf s ARG 13 Ca 0.51 -0.59 0.08 0.00 -2.50 0.00 0.00 55.73 53.22 1ssf s ARG 13 Cb -0.10 -2.98 -0.03 0.00 0.06 0.00 0.00 34.95 31.90 1ssf s ARG 13 CO 0.35 -0.05 0.32 0.14 -2.50 0.00 0.00 175.30 173.57 1ssf s VAL 14 N 1.11 2.81 -0.13 7.11 -7.23 -0.92 -0.63 120.40 122.52 1ssf s VAL 14 Ca 0.02 -1.42 0.01 0.00 -1.81 0.00 0.00 61.98 58.78 1ssf s VAL 14 Cb -0.15 -3.03 0.02 0.00 0.56 0.00 0.00 36.38 33.78 1ssf s VAL 14 CO 0.00 -0.05 -0.15 0.54 -0.31 0.00 0.00 175.10 175.13 1ssf s VAL 15 N -2.45 1.60 -0.36 1.32 0.11 -0.50 -2.07 120.40 118.05 1ssf s VAL 15 Ca 0.45 -0.68 -0.06 0.00 -2.93 0.00 0.00 61.98 58.77 1ssf s VAL 15 Cb -0.03 -1.47 0.06 0.00 -1.53 0.00 0.00 36.38 33.41 1ssf s VAL 15 CO 0.27 0.46 0.13 0.00 -3.33 0.00 0.00 175.10 172.63 1ssf s ALA 16 N 1.21 3.07 -0.37 1.54 0.00 0.13 -2.19 121.76 125.15 1ssf s ALA 16 Ca -0.01 -1.91 0.01 0.00 0.00 0.00 0.00 51.96 50.05 1ssf s ALA 16 Cb -0.14 -2.31 0.14 0.00 0.00 0.00 0.00 23.12 20.81 1ssf s ALA 16 CO -0.06 -1.44 0.22 0.15 0.00 0.00 0.00 175.76 174.63 1ssf s LYS 17 N 1.36 0.73 0.05 0.00 3.01 0.45 -0.83 119.74 124.51 1ssf s LYS 17 Ca -0.00 -1.49 -0.12 0.00 -1.01 0.00 0.00 55.97 53.34 1ssf s LYS 17 Cb -0.21 -1.57 -0.30 0.00 -1.01 0.00 0.00 37.83 34.74 1ssf s LYS 17 CO 0.01 -1.19 1.08 2.35 0.51 0.00 0.00 175.35 178.11 1ssf h TRP 18 N 6.97 0.88 -3.15 3.18 -0.00 -1.84 -3.40 115.95 118.59 1ssf h TRP 18 Ca 0.04 -0.60 -0.67 0.00 -0.00 0.00 0.00 58.89 57.65 1ssf h TRP 18 Cb 0.96 -0.05 -0.13 0.00 -0.00 0.00 0.00 29.16 29.94 1ssf h TRP 18 CO 0.45 1.46 -0.58 -1.54 -0.00 0.00 0.00 178.44 178.22 1ssf s SER 19 N -7.42 5.54 -0.55 2.65 1.04 -1.26 -5.02 113.70 108.68 1ssf s SER 19 Ca -0.08 0.22 -0.27 0.00 0.48 0.00 0.00 55.95 56.30 1ssf s SER 19 Cb 0.05 -1.65 0.03 0.00 0.10 0.00 0.00 66.02 64.56 1ssf s SER 19 CO 0.93 0.37 1.09 -0.94 0.98 0.00 0.00 173.24 175.67 1ssf s SER 20 N -0.85 6.44 0.00 7.02 1.04 -1.26 -4.62 113.70 121.47 1ssf s SER 20 Ca 0.13 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1ssf s SER 20 Cb -0.12 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1ssf s SER 20 CO 0.03 -1.35 0.00 0.59 0.98 0.00 0.00 173.24 173.49 1ssf n ASN 21 N 7.98 2.76 -0.06 7.02 4.13 -1.26 -5.03 115.26 130.80 1ssf n ASN 21 Ca 0.07 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.33 1ssf n ASN 21 Cb 0.49 0.27 0.00 0.00 -1.54 0.00 0.00 39.78 38.99 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 1.92 1.01 2.81 7.41 0.00 -1.26 -4.93 105.19 112.15 1ssf n GLY 22 Ca 0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 1ssf n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ssf s TYR 23 N -2.12 0.93 -0.30 1.61 2.02 -1.26 -3.65 117.35 114.58 1ssf s TYR 23 Ca 0.00 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.37 1ssf s TYR 23 Cb 0.00 -0.94 0.08 0.00 -0.40 0.00 0.00 41.96 40.70 1ssf s TYR 23 CO 0.00 -0.39 -0.01 -0.06 -1.57 0.00 0.00 175.55 173.52 1ssf s PHE 24 N 1.89 3.36 0.51 2.71 0.40 -0.99 -4.39 117.98 121.47 1ssf s PHE 24 Ca 0.05 -2.61 0.01 0.00 -0.60 0.00 0.00 56.93 53.78 1ssf s PHE 24 Cb -0.12 -2.42 0.10 0.00 0.51 0.00 0.00 43.02 41.08 1ssf s PHE 24 CO -0.06 -0.91 0.69 0.66 0.70 0.00 0.00 175.22 176.30 1ssf n TYR 25 N 4.38 -3.00 -4.21 0.36 4.02 -0.01 -2.70 117.16 116.00 1ssf n TYR 25 Ca -0.03 -1.28 -0.35 0.00 -0.01 0.00 0.00 57.90 56.23 1ssf n TYR 25 Cb 0.42 -0.50 -0.10 0.00 -0.02 0.00 0.00 39.34 39.14 1ssf n TYR 25 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1ssf s SER 26 N -3.85 5.41 0.15 7.72 0.15 -1.26 -0.69 113.70 121.32 1ssf s SER 26 Ca 0.47 0.12 -0.00 0.00 0.70 0.00 0.00 55.95 57.23 1ssf s SER 26 Cb -0.03 -1.74 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 1ssf s SER 26 CO 0.31 0.28 0.04 -0.83 1.20 0.00 0.00 173.24 174.25 1ssf s GLY 27 N -0.31 1.07 0.01 9.45 0.00 -0.88 -1.33 107.32 115.33 1ssf s GLY 27 Ca 0.07 -1.52 0.04 0.00 0.00 0.00 0.00 44.72 43.32 1ssf s GLY 27 CO 0.02 -1.41 -0.12 -1.59 0.00 0.00 0.00 173.10 170.00 1ssf s LYS 28 N -4.01 0.90 0.15 2.90 -2.85 0.19 -2.16 119.74 114.86 1ssf s LYS 28 Ca 0.24 -0.55 0.03 0.00 -1.00 0.00 0.00 55.97 54.70 1ssf s LYS 28 Cb 0.07 -0.87 -0.04 0.00 -2.06 0.00 0.00 37.83 34.93 1ssf s LYS 28 CO 0.03 0.23 0.24 -1.50 0.10 0.00 0.00 175.35 174.45 1ssf s ILE 29 N -0.54 5.08 -0.11 3.79 2.07 -1.05 -0.77 121.20 129.66 1ssf s ILE 29 Ca 0.03 -0.81 -0.02 0.00 -1.41 0.00 0.00 60.65 58.44 1ssf s ILE 29 Cb -0.06 -3.61 -0.06 0.00 0.13 0.00 0.00 42.46 38.86 1ssf s ILE 29 CO 0.00 -0.10 -0.11 0.41 -1.91 0.00 0.00 174.94 173.23 1ssf n THR 30 N -0.50 0.62 -3.93 4.00 -1.04 0.21 -4.60 114.28 109.03 1ssf n THR 30 Ca -0.07 -0.20 -0.09 0.00 -2.04 0.00 0.00 64.05 61.65 1ssf n THR 30 Cb 0.54 -1.18 -0.03 0.00 -1.82 0.00 0.00 70.33 67.84 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 -2.21 1.75 -0.16 -2.82 0.52 -0.97 -4.35 118.95 110.72 1ssf s ARG 31 Ca -0.15 -1.21 -0.08 0.00 -0.52 0.00 0.00 55.73 53.77 1ssf s ARG 31 Cb 0.05 0.54 -0.04 0.00 0.52 0.00 0.00 34.95 36.01 1ssf s ARG 31 CO 0.23 -0.77 0.12 0.34 0.02 0.00 0.00 175.30 175.24 1ssf s ASP 32 N -3.00 6.19 -0.19 0.23 2.15 -1.25 -0.91 116.67 119.88 1ssf s ASP 32 Ca 0.18 0.32 -0.04 0.00 0.43 0.00 0.00 52.55 53.43 1ssf s ASP 32 Cb -0.03 -2.04 -0.02 0.00 -0.30 0.00 0.00 42.92 40.52 1ssf s ASP 32 CO 0.09 0.29 -0.02 0.68 -0.17 0.00 0.00 175.17 176.04 1ssf s VAL 33 N -0.29 3.86 0.00 1.11 -7.23 -1.18 -4.81 120.40 111.85 1ssf s VAL 33 Ca 0.11 -0.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 1ssf s VAL 33 Cb -0.12 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.10 1ssf s VAL 33 CO 0.01 0.45 0.00 0.61 -0.31 0.00 0.00 175.10 175.86 1ssf n GLY 34 N 4.08 1.33 3.38 2.32 0.00 -1.26 -2.47 105.19 112.57 1ssf n GLY 34 Ca -0.17 0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.59 3.27 -0.63 4.61 0.00 -1.26 -4.56 121.76 122.60 1ssf s ALA 35 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.30 1ssf s ALA 35 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1ssf s ALA 35 CO 0.00 -1.29 0.00 0.41 0.00 0.00 0.00 175.76 174.88 1ssf n GLY 36 N 4.99 0.80 3.68 0.00 0.00 -1.26 -4.94 105.19 108.46 1ssf n GLY 36 Ca -0.12 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.09 2.20 -0.02 1.61 -2.85 -1.03 -0.50 119.74 117.06 1ssf s LYS 37 Ca 0.00 -1.70 -0.04 0.00 -1.00 0.00 0.00 55.97 53.24 1ssf s LYS 37 Cb 0.00 -2.02 0.00 0.00 -2.06 0.00 0.00 37.83 33.76 1ssf s LYS 37 CO 0.00 0.09 0.08 0.71 0.10 0.00 0.00 175.35 176.33 1ssf s TYR 38 N -2.50 -0.03 -0.33 1.78 2.02 -1.07 -3.13 117.35 114.09 1ssf s TYR 38 Ca 0.37 0.08 -0.05 0.00 -0.37 0.00 0.00 57.07 57.09 1ssf s TYR 38 Cb -0.00 -0.01 0.04 0.00 -0.40 0.00 0.00 41.96 41.59 1ssf s TYR 38 CO 0.21 -0.11 0.08 0.21 -1.57 0.00 0.00 175.55 174.37 1ssf s LYS 39 N -0.41 2.58 0.20 -0.62 2.47 -0.09 -2.64 119.74 121.22 1ssf s LYS 39 Ca -0.05 -1.20 0.02 0.00 -1.56 0.00 0.00 55.97 53.17 1ssf s LYS 39 Cb -0.03 -3.40 -0.05 0.00 -1.46 0.00 0.00 37.83 32.89 1ssf s LYS 39 CO 0.00 -0.66 0.03 -0.48 0.16 0.00 0.00 175.35 174.41 1ssf s LEU 40 N 1.37 1.95 -0.00 5.43 -0.00 -0.95 -0.62 118.68 125.86 1ssf s LEU 40 Ca -0.02 -1.25 0.05 0.00 -0.00 0.00 0.00 54.13 52.91 1ssf s LEU 40 Cb -0.20 -0.03 -0.01 0.00 -0.00 0.00 0.00 46.19 45.95 1ssf s LEU 40 CO 0.02 -0.62 -0.14 -0.22 -0.00 0.00 0.00 176.35 175.38 1ssf s LEU 41 N -3.22 2.05 0.74 1.48 0.20 0.05 -2.41 118.68 117.57 1ssf s LEU 41 Ca 0.29 -0.30 -0.11 0.00 0.69 0.00 0.00 54.13 54.70 1ssf s LEU 41 Cb 0.07 -0.72 0.04 0.00 -0.43 0.00 0.00 46.19 45.14 1ssf s LEU 41 CO 0.07 0.15 1.08 -0.36 -0.29 0.00 0.00 176.35 177.01 1ssf s PHE 42 N -0.43 2.77 -1.22 5.38 0.40 0.00 -0.64 117.98 124.24 1ssf s PHE 42 Ca 0.05 1.51 0.13 0.00 -0.60 0.00 0.00 56.93 58.01 1ssf s PHE 42 Cb -0.06 -2.99 0.59 0.00 0.51 0.00 0.00 43.02 41.07 1ssf s PHE 42 CO -0.00 -1.59 1.36 -0.25 0.70 0.00 0.00 175.22 175.44 1ssf n ASP 43 N -3.35 0.00 -0.51 1.36 8.00 -0.44 -1.56 116.55 120.05 1ssf n ASP 43 Ca 0.09 0.30 0.12 0.00 0.71 0.00 0.00 54.79 56.00 1ssf n ASP 43 Cb 0.53 -0.39 0.13 0.00 -0.02 0.00 0.00 41.12 41.37 1ssf n ASP 43 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1ssf n ASP 44 N -1.39 1.92 0.00 -2.24 5.68 -1.26 -5.02 116.55 114.24 1ssf n ASP 44 Ca 0.05 -1.45 0.00 0.00 -0.50 0.00 0.00 54.79 52.88 1ssf n ASP 44 Cb 0.12 0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 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 1.38 1.14 3.47 6.12 0.00 -0.60 -5.08 105.19 111.61 1ssf n GLY 45 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 2.97 0.09 1.61 6.14 -1.26 -4.83 117.35 120.07 1ssf s TYR 46 Ca 0.00 -0.35 0.04 0.00 0.64 0.00 0.00 57.07 57.40 1ssf s TYR 46 Cb 0.00 -3.69 -0.04 0.00 0.42 0.00 0.00 41.96 38.65 1ssf s TYR 46 CO 0.00 -1.12 0.03 -2.00 0.64 0.00 0.00 175.55 173.10 1ssf s GLU 47 N 3.04 2.66 0.14 4.97 -6.30 -1.26 -0.82 118.70 121.13 1ssf s GLU 47 Ca 0.20 -0.80 -0.24 0.00 -2.50 0.00 0.00 54.97 51.63 1ssf s GLU 47 Cb -0.17 -2.60 0.08 0.00 0.00 0.00 0.00 34.13 31.45 1ssf s GLU 47 CO 0.14 0.54 1.10 0.00 0.02 0.00 0.00 175.26 177.06 1ssf s ASP 49 N -3.46 4.37 0.18 0.00 -4.77 -1.26 -2.24 116.67 109.48 1ssf s ASP 49 Ca 0.23 -0.12 -0.09 0.00 -3.30 0.00 0.00 52.55 49.27 1ssf s ASP 49 Cb -0.02 -1.11 -0.01 0.00 -1.09 0.00 0.00 42.92 40.69 1ssf s ASP 49 CO 0.04 0.33 0.29 0.68 0.70 0.00 0.00 175.17 177.21 1ssf s VAL 50 N -0.63 0.05 0.45 2.11 -7.23 -1.08 -5.02 120.40 109.05 1ssf s VAL 50 Ca 0.09 -1.46 -0.20 0.00 -1.81 0.00 0.00 61.98 58.61 1ssf s VAL 50 Cb -0.11 -1.96 -0.10 0.00 0.56 0.00 0.00 36.38 34.77 1ssf s VAL 50 CO 0.01 -0.23 0.97 -0.76 -0.31 0.00 0.00 175.10 174.78 1ssf s LEU 51 N -2.99 3.86 0.09 1.32 2.01 -1.26 -2.60 118.68 119.11 1ssf s LEU 51 Ca 0.20 1.69 -0.15 0.00 0.01 0.00 0.00 54.13 55.88 1ssf s LEU 51 Cb 0.03 -4.54 -0.13 0.00 0.01 0.00 0.00 46.19 41.57 1ssf s LEU 51 CO 0.02 -0.45 1.34 1.23 1.01 0.00 0.00 176.35 179.50 1ssf h GLY 52 N 1.66 0.76 0.60 -3.19 0.00 -0.99 -2.53 103.07 99.39 1ssf h GLY 52 Ca -0.49 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 45.92 1ssf h GLY 52 CO 0.61 0.83 0.00 0.58 0.00 0.00 0.00 176.54 178.56 1ssf n LYS 53 N -4.16 0.06 0.01 4.80 0.00 -1.26 -1.49 118.16 116.12 1ssf n LYS 53 Ca -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.23 1ssf n LYS 53 Cb 0.58 -1.30 -0.01 0.00 -0.00 0.00 0.00 35.03 34.30 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 -0.80 1.11 -3.78 -5.58 8.00 -1.16 -5.00 116.55 109.34 1ssf n ASP 54 Ca 0.01 0.16 -0.30 0.00 0.71 0.00 0.00 54.79 55.37 1ssf n ASP 54 Cb 0.00 -0.37 -0.15 0.00 -0.02 0.00 0.00 41.12 40.58 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 -2.16 0.99 0.15 0.53 1.09 -0.56 -0.42 121.20 120.82 1ssf s ILE 55 Ca -0.06 -1.32 0.02 0.00 -1.10 0.00 0.00 60.65 58.19 1ssf s ILE 55 Cb 0.01 -1.65 -0.04 0.00 -1.06 0.00 0.00 42.46 39.71 1ssf s ILE 55 CO 0.09 -0.54 -0.03 -1.48 -0.10 0.00 0.00 174.94 172.88 1ssf s LEU 56 N 1.58 2.28 -0.70 2.97 0.05 -0.93 -4.36 118.68 119.57 1ssf s LEU 56 Ca 0.07 -1.11 -0.28 0.00 0.05 0.00 0.00 54.13 52.85 1ssf s LEU 56 Cb -0.17 -0.10 -0.13 0.00 -2.05 0.00 0.00 46.19 43.74 1ssf s LEU 56 CO -0.19 -0.51 2.53 0.00 -0.55 0.00 0.00 176.35 177.63 1ssf n LEU 57 N -0.18 1.46 -4.56 1.48 -0.00 -1.26 -1.42 117.00 112.53 1ssf n LEU 57 Ca -0.09 -0.20 -0.26 0.00 -0.00 0.00 0.00 56.01 55.46 1ssf n LEU 57 Cb 0.62 -1.30 -0.09 0.00 -0.00 0.00 0.00 43.42 42.65 1ssf n LEU 57 CO 0.32 -1.20 -0.23 0.00 -0.00 0.00 0.00 177.39 176.28 1ssf n ASP 59 N -1.12 2.01 0.00 0.00 -0.08 -1.26 -4.29 116.55 111.80 1ssf n ASP 59 Ca -0.08 0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1ssf n ASP 59 Cb 0.66 -0.74 0.00 0.00 2.34 0.00 0.00 41.12 43.37 1ssf n ASP 59 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1ssf n PRO 60 N -3.72 0.00 -4.29 -0.67 -0.02 -1.26 -5.01 135.00 120.03 1ssf n PRO 60 Ca -0.40 0.12 -0.23 0.00 -2.02 0.00 0.00 63.50 60.97 1ssf n PRO 60 Cb 0.94 -0.99 -0.07 0.00 -0.02 0.00 0.00 33.50 33.36 1ssf n PRO 60 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ssf s ILE 61 N -1.15 3.43 -0.25 4.25 1.01 -1.26 -5.01 121.20 122.22 1ssf s ILE 61 Ca 0.00 -1.89 -0.34 0.00 0.00 0.00 0.00 60.65 58.42 1ssf s ILE 61 Cb 0.00 -2.82 -0.11 0.00 0.01 0.00 0.00 42.46 39.54 1ssf s ILE 61 CO 0.00 -0.35 2.08 -2.65 0.00 0.00 0.00 174.94 174.01 1ssf n PRO 62 N -0.82 1.51 0.00 2.79 -0.01 -1.26 -4.78 135.00 132.43 1ssf n PRO 62 Ca -0.07 0.47 0.00 0.00 -0.01 0.00 0.00 63.50 63.90 1ssf n PRO 62 Cb 0.59 -2.60 0.00 0.00 -0.01 0.00 0.00 33.50 31.48 1ssf n PRO 62 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 175.50 176.77 1ssf n LEU 63 N 8.91 0.00 -2.71 2.45 4.77 -1.26 -0.87 117.00 128.30 1ssf n LEU 63 Ca 0.33 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.24 1ssf n LEU 63 Cb 0.27 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.47 1ssf n LEU 63 CO 0.74 0.00 0.47 -0.67 -1.33 0.00 0.00 177.39 176.60 1ssf n ASP 64 N 0.00 -1.94 -4.34 -1.43 2.03 -0.71 -3.78 116.55 106.37 1ssf n ASP 64 Ca 0.00 -2.71 -0.33 0.00 0.52 0.00 0.00 54.79 52.27 1ssf n ASP 64 Cb 0.00 1.18 -0.15 0.00 -0.72 0.00 0.00 41.12 41.43 1ssf n ASP 64 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1ssf s THR 65 N 0.16 2.78 -0.67 5.18 2.01 -0.05 -4.91 115.64 120.15 1ssf s THR 65 Ca 0.22 -0.77 -0.26 0.00 0.31 0.00 0.00 61.69 61.20 1ssf s THR 65 Cb 0.38 -2.14 -0.09 0.00 0.01 0.00 0.00 72.50 70.66 1ssf s THR 65 CO -0.08 0.54 2.32 -0.70 -0.69 0.00 0.00 174.62 176.01 1ssf s GLU 66 N 0.22 1.96 0.45 4.92 2.56 -1.25 -0.50 118.70 127.05 1ssf s GLU 66 Ca -0.10 0.78 0.06 0.00 0.00 0.00 0.00 54.97 55.71 1ssf s GLU 66 Cb -0.16 -4.70 -0.03 0.00 2.00 0.00 0.00 34.13 31.24 1ssf s GLU 66 CO 0.06 -3.76 0.18 0.14 -0.56 0.00 0.00 175.26 171.31 1ssf s VAL 67 N 12.90 2.01 0.06 3.70 -7.23 0.23 -4.87 120.40 127.21 1ssf s VAL 67 Ca 0.90 -1.73 0.03 0.00 -1.81 0.00 0.00 61.98 59.37 1ssf s VAL 67 Cb -0.14 -2.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 1ssf s VAL 67 CO 0.15 0.00 0.03 0.28 -0.31 0.00 0.00 175.10 175.25 1ssf s THR 68 N -2.68 4.26 -0.18 5.32 -1.32 -0.70 -0.24 115.64 120.10 1ssf s THR 68 Ca 0.34 -0.78 -0.02 0.00 -1.21 0.00 0.00 61.69 60.02 1ssf s THR 68 Cb 0.03 -3.00 -0.01 0.00 -1.51 0.00 0.00 72.50 68.01 1ssf s THR 68 CO 0.19 0.20 -0.08 0.00 -2.21 0.00 0.00 174.62 172.72 1ssf s ALA 69 N -1.27 2.74 -0.32 11.08 0.00 -0.43 -2.50 121.76 131.06 1ssf s ALA 69 Ca 0.25 -1.04 -0.25 0.00 0.00 0.00 0.00 51.96 50.92 1ssf s ALA 69 Cb -0.12 -1.49 0.01 0.00 0.00 0.00 0.00 23.12 21.51 1ssf s ALA 69 CO 0.17 -0.14 0.86 -1.17 0.00 0.00 0.00 175.76 175.49 1ssf s LEU 70 N 0.98 4.05 0.21 0.00 1.98 0.64 -3.68 118.68 122.87 1ssf s LEU 70 Ca -0.01 0.73 0.00 0.00 -2.89 0.00 0.00 54.13 51.97 1ssf s LEU 70 Cb -0.15 -3.19 -0.04 0.00 0.66 0.00 0.00 46.19 43.46 1ssf s LEU 70 CO -0.00 -0.70 0.10 -0.44 -1.89 0.00 0.00 176.35 173.42 1ssf s SER 71 N 1.65 0.67 0.96 3.68 0.01 -1.26 -4.87 113.70 114.54 1ssf s SER 71 Ca 0.36 -1.35 -0.25 0.00 1.31 0.00 0.00 55.95 56.01 1ssf s SER 71 Cb -0.14 0.26 -0.18 0.00 0.21 0.00 0.00 66.02 66.17 1ssf s SER 71 CO 0.14 -0.76 -1.39 -1.84 0.41 0.00 0.00 173.24 169.80 1ssf n GLU 72 N -0.33 0.00 -0.17 12.44 0.00 -1.26 -4.12 120.64 127.21 1ssf n GLU 72 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.13 1ssf n GLU 72 Cb 0.66 -0.96 0.04 0.00 0.00 0.00 0.00 31.44 31.17 1ssf n GLU 72 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1ssf h ASP 73 N -0.96 -0.52 -0.34 -1.84 3.32 -2.03 -0.16 116.42 113.89 1ssf h ASP 73 Ca -0.38 0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1ssf h ASP 73 Cb 1.33 0.34 0.00 0.00 0.22 0.00 0.00 39.33 41.22 1ssf h ASP 73 CO 0.21 -0.18 0.00 -1.84 -1.72 0.00 0.00 179.24 175.70 1ssf n GLU 74 N -5.38 2.89 -0.05 3.56 0.28 -1.26 -4.63 120.64 116.05 1ssf n GLU 74 Ca 0.05 -2.15 -0.06 0.00 -0.16 0.00 0.00 57.16 54.84 1ssf n GLU 74 Cb 0.28 -1.34 -0.06 0.00 1.43 0.00 0.00 31.44 31.74 1ssf n GLU 74 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1ssf n TYR 75 N 0.42 0.00 -1.63 -1.84 4.02 -0.96 -5.05 117.16 112.11 1ssf n TYR 75 Ca 0.13 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.62 1ssf n TYR 75 Cb 0.48 -0.45 0.02 0.00 -0.02 0.00 0.00 39.34 39.37 1ssf n TYR 75 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 176.86 177.82 1ssf n PHE 76 N -2.56 1.28 -4.10 -0.72 -1.74 -0.11 -4.90 117.46 104.62 1ssf n PHE 76 Ca -0.17 0.52 -0.08 0.00 -0.56 0.00 0.00 57.45 57.15 1ssf n PHE 76 Cb 0.76 -2.24 -0.10 0.00 1.52 0.00 0.00 39.48 39.43 1ssf n PHE 76 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1ssf s SER 77 N -0.81 0.39 0.04 5.98 1.04 -1.24 -5.03 113.70 114.06 1ssf s SER 77 Ca 0.66 -1.06 -0.06 0.00 0.48 0.00 0.00 55.95 55.96 1ssf s SER 77 Cb -0.51 0.25 -0.05 0.00 0.10 0.00 0.00 66.02 65.81 1ssf s SER 77 CO 0.55 -0.67 0.29 0.00 0.98 0.00 0.00 173.24 174.39 1ssf s ALA 78 N -3.97 3.84 0.00 5.32 0.00 -1.26 -1.32 121.76 124.37 1ssf s ALA 78 Ca 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1ssf s ALA 78 Cb 0.07 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1ssf s ALA 78 CO -0.05 0.66 0.00 0.41 0.00 0.00 0.00 175.76 176.78 1ssf n GLY 79 N 0.86 3.27 3.50 0.00 0.00 0.67 -4.92 105.19 108.56 1ssf n GLY 79 Ca -0.09 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 1ssf n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ssf s VAL 80 N -2.38 3.44 0.09 1.61 1.01 -0.03 -0.60 120.40 123.54 1ssf s VAL 80 Ca 0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 1ssf s VAL 80 Cb 0.00 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1ssf s VAL 80 CO 0.00 0.56 1.07 0.54 0.00 0.00 0.00 175.10 177.27 1ssf s VAL 81 N -0.36 4.30 0.00 2.92 0.11 0.34 0.26 120.40 127.97 1ssf s VAL 81 Ca 0.05 1.78 0.00 0.00 -2.93 0.00 0.00 61.98 60.87 1ssf s VAL 81 Cb -0.12 -4.14 0.00 0.00 -1.53 0.00 0.00 36.38 30.59 1ssf s VAL 81 CO 0.02 0.21 0.00 1.17 -3.33 0.00 0.00 175.10 173.17 1ssf n LYS 82 N 3.29 1.90 -3.58 1.54 4.81 -1.03 -1.75 118.16 123.34 1ssf n LYS 82 Ca 0.05 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.42 1ssf n LYS 82 Cb 0.48 -0.90 -0.04 0.00 0.02 0.00 0.00 35.03 34.59 1ssf n LYS 82 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1ssf s GLY 83 N -3.08 -0.24 0.03 3.14 0.00 -1.24 -4.75 107.32 101.18 1ssf s GLY 83 Ca 0.00 1.93 -0.15 0.00 0.00 0.00 0.00 44.72 46.51 1ssf s GLY 83 CO 0.00 0.84 0.32 -2.38 0.00 0.00 0.00 173.10 171.87 1ssf s HIS 84 N -1.67 -0.14 0.05 1.90 -3.43 -1.26 -1.47 115.29 109.27 1ssf s HIS 84 Ca 0.03 0.08 -0.04 0.00 -0.80 0.00 0.00 55.06 54.33 1ssf s HIS 84 Cb -0.01 0.11 -0.02 0.00 -1.43 0.00 0.00 32.58 31.23 1ssf s HIS 84 CO -0.03 -0.48 0.05 -0.98 -2.00 0.00 0.00 174.74 171.30 1ssf s ARG 85 N -2.22 0.60 0.00 -0.38 1.04 -0.98 -5.04 118.95 111.97 1ssf s ARG 85 Ca -0.07 -0.93 0.01 0.00 -1.04 0.00 0.00 55.73 53.69 1ssf s ARG 85 Cb -0.02 0.22 -0.01 0.00 -2.04 0.00 0.00 34.95 33.11 1ssf s ARG 85 CO -0.01 -0.14 -0.03 -1.59 -0.04 0.00 0.00 175.30 173.49 1ssf s LYS 86 N -3.12 0.26 0.20 3.89 -2.85 -1.26 -2.50 119.74 114.36 1ssf s LYS 86 Ca -0.01 -0.20 0.06 0.00 -1.00 0.00 0.00 55.97 54.83 1ssf s LYS 86 Cb 0.02 -0.20 -0.05 0.00 -2.06 0.00 0.00 37.83 35.54 1ssf s LYS 86 CO -0.07 0.05 -0.11 -2.00 0.10 0.00 0.00 175.35 173.32 1ssf s GLU 87 N -0.31 1.28 -1.11 1.78 -6.30 0.05 -5.02 118.70 109.07 1ssf s GLU 87 Ca -0.01 -1.58 -0.25 0.00 -2.50 0.00 0.00 54.97 50.62 1ssf s GLU 87 Cb -0.03 -0.96 -0.19 0.00 0.00 0.00 0.00 34.13 32.96 1ssf s GLU 87 CO -0.00 0.12 2.05 0.45 0.02 0.00 0.00 175.26 177.90 1ssf n SER 88 N -0.36 1.94 0.00 -1.70 2.88 -1.26 -1.52 113.62 113.60 1ssf n SER 88 Ca -0.08 -2.56 0.00 0.00 -1.33 0.00 0.00 58.87 54.90 1ssf n SER 88 Cb 0.61 -1.73 0.00 0.00 -0.75 0.00 0.00 64.21 62.34 1ssf n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ssf n GLY 89 N 6.00 1.00 3.03 0.46 0.00 -1.26 -5.11 105.19 109.31 1ssf n GLY 89 Ca 0.42 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.24 1ssf n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ssf s GLU 90 N -0.31 1.00 -0.07 1.61 0.41 -0.57 -5.13 118.70 115.63 1ssf s GLU 90 Ca 0.00 -0.36 0.00 0.00 -0.41 0.00 0.00 54.97 54.20 1ssf s GLU 90 Cb 0.00 -0.94 0.02 0.00 -1.78 0.00 0.00 34.13 31.44 1ssf s GLU 90 CO 0.00 0.17 -0.04 -1.17 -0.49 0.00 0.00 175.26 173.73 1ssf s LEU 91 N 0.01 1.09 -0.09 1.80 1.98 -1.26 -0.77 118.68 121.44 1ssf s LEU 91 Ca -0.00 -0.16 -0.05 0.00 -2.89 0.00 0.00 54.13 51.02 1ssf s LEU 91 Cb -0.07 -0.56 0.04 0.00 0.66 0.00 0.00 46.19 46.26 1ssf s LEU 91 CO 0.00 -0.10 0.23 -0.72 -1.89 0.00 0.00 176.35 173.87 1ssf s TYR 92 N 1.38 -0.29 -0.11 5.38 -0.85 -1.04 -3.26 117.35 118.56 1ssf s TYR 92 Ca -0.03 0.70 -0.04 0.00 -0.52 0.00 0.00 57.07 57.18 1ssf s TYR 92 Cb -0.13 0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.21 1ssf s TYR 92 CO -0.03 -0.20 0.03 0.71 -1.52 0.00 0.00 175.55 174.54 1ssf s TYR 93 N 0.99 3.23 -0.65 -3.49 1.51 0.10 -2.32 117.35 116.72 1ssf s TYR 93 Ca -0.07 0.17 -0.20 0.00 -1.01 0.00 0.00 57.07 55.97 1ssf s TYR 93 Cb -0.08 -1.88 0.10 0.00 -0.11 0.00 0.00 41.96 39.99 1ssf s TYR 93 CO -0.06 0.40 0.81 -1.54 -1.11 0.00 0.00 175.55 174.05 1ssf s SER 94 N -0.56 6.24 -0.29 2.29 1.04 -0.54 -1.23 113.70 120.65 1ssf s SER 94 Ca 0.10 -1.43 -0.10 0.00 0.48 0.00 0.00 55.95 55.00 1ssf s SER 94 Cb -0.12 -2.34 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 1ssf s SER 94 CO 0.02 -1.17 0.16 -0.63 0.98 0.00 0.00 173.24 172.60 1ssf s ILE 95 N 2.93 4.91 -0.57 -1.02 -1.09 -0.14 -2.46 121.20 123.75 1ssf s ILE 95 Ca 0.16 -0.09 -0.23 0.00 -2.23 0.00 0.00 60.65 58.26 1ssf s ILE 95 Cb -0.20 -3.39 0.05 0.00 -1.58 0.00 0.00 42.46 37.34 1ssf s ILE 95 CO 0.05 0.20 0.91 -0.70 -1.23 0.00 0.00 174.94 174.17 1ssf s GLU 96 N 1.69 3.25 -0.07 2.79 2.12 0.14 0.04 118.70 128.66 1ssf s GLU 96 Ca 0.06 -0.48 -0.03 0.00 0.36 0.00 0.00 54.97 54.88 1ssf s GLU 96 Cb -0.16 -4.10 0.04 0.00 0.26 0.00 0.00 34.13 30.17 1ssf s GLU 96 CO 0.08 -1.54 0.16 0.21 -0.54 0.00 0.00 175.26 173.64 1ssf s LYS 97 N 3.83 0.10 0.00 4.30 2.20 0.15 -0.85 119.74 129.47 1ssf s LYS 97 Ca 0.26 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 1ssf s LYS 97 Cb -0.14 -0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.00 1ssf s LYS 97 CO 0.16 -0.19 0.00 0.39 -0.36 0.00 0.00 175.35 175.35 1ssf n GLU 98 N 4.37 -0.13 0.00 4.03 1.02 -1.26 -2.74 120.64 125.93 1ssf n GLU 98 Ca -0.23 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1ssf n GLU 98 Cb 0.52 -3.03 0.00 0.00 -0.02 0.00 0.00 31.44 28.90 1ssf n GLU 98 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ssf n GLY 99 N -2.12 1.63 3.66 0.62 0.00 -1.26 -5.09 105.19 102.62 1ssf n GLY 99 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.54 2.20 -0.20 1.61 1.03 -1.11 -5.06 119.66 117.59 1ssf s GLN 100 Ca 0.00 -1.61 -0.20 0.00 0.04 0.00 0.00 55.36 53.60 1ssf s GLN 100 Cb 0.00 -2.05 -0.03 0.00 0.03 0.00 0.00 33.01 30.96 1ssf s GLN 100 CO 0.00 0.20 0.58 1.03 -2.54 0.00 0.00 175.29 174.56 1ssf s ARG 101 N -3.73 4.21 -0.27 9.60 1.81 -1.26 0.33 118.95 129.64 1ssf s ARG 101 Ca 0.34 0.53 -0.10 0.00 -1.72 0.00 0.00 55.73 54.78 1ssf s ARG 101 Cb -0.03 -3.57 -0.04 0.00 -0.45 0.00 0.00 34.95 30.87 1ssf s ARG 101 CO 0.20 -0.19 0.15 0.15 -0.68 0.00 0.00 175.30 174.93 1ssf s LYS 102 N 1.75 3.84 -0.55 3.54 1.02 0.11 -4.90 119.74 124.55 1ssf s LYS 102 Ca 0.27 -0.38 -0.21 0.00 0.02 0.00 0.00 55.97 55.66 1ssf s LYS 102 Cb -0.16 -3.55 0.06 0.00 -0.52 0.00 0.00 37.83 33.66 1ssf s LYS 102 CO 0.10 -0.19 0.78 -1.58 -0.92 0.00 0.00 175.35 173.54 1ssf s TRP 103 N 1.71 2.91 -0.13 3.18 0.52 -1.26 -0.97 118.94 124.91 1ssf s TRP 103 Ca 0.07 -0.44 0.02 0.00 0.02 0.00 0.00 56.10 55.77 1ssf s TRP 103 Cb -0.16 -3.86 0.01 0.00 -1.15 0.00 0.00 33.47 28.31 1ssf s TRP 103 CO 0.09 -1.25 -0.20 0.71 0.02 0.00 0.00 176.95 176.32 1ssf s TYR 104 N 3.23 2.42 1.22 -1.98 2.02 -0.36 -4.90 117.35 119.00 1ssf s TYR 104 Ca 0.20 -1.18 -0.16 0.00 -0.37 0.00 0.00 57.07 55.56 1ssf s TYR 104 Cb -0.17 -1.67 0.30 0.00 -0.40 0.00 0.00 41.96 40.01 1ssf s TYR 104 CO 0.13 -0.55 1.02 -1.59 -1.57 0.00 0.00 175.55 172.99 1ssf s LYS 105 N 0.83 -1.33 0.05 -0.62 -2.85 -1.20 -0.72 119.74 113.90 1ssf s LYS 105 Ca -0.08 0.51 -0.10 0.00 -1.00 0.00 0.00 55.97 55.30 1ssf s LYS 105 Cb -0.16 -1.53 -0.02 0.00 -2.06 0.00 0.00 37.83 34.06 1ssf s LYS 105 CO -0.01 -3.91 0.70 2.89 0.10 0.00 0.00 175.35 175.13 1ssf n ARG 106 N -5.00 -0.14 0.00 1.78 1.85 -1.26 -0.84 116.66 113.04 1ssf n ARG 106 Ca 0.06 0.69 0.10 0.00 -1.00 0.00 0.00 57.85 57.71 1ssf n ARG 106 Cb 0.57 -1.03 0.51 0.00 -1.05 0.00 0.00 32.46 31.46 1ssf n ARG 106 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ssf n MET 107 N -3.85 0.21 0.02 2.89 0.00 -1.26 -2.70 117.12 112.44 1ssf n MET 107 Ca 0.01 0.10 0.11 0.00 0.00 0.00 0.00 57.70 57.92 1ssf n MET 107 Cb 0.08 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 31.76 1ssf n MET 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ssf n ALA 108 N -1.35 3.39 -3.94 3.17 0.00 -0.02 -4.79 120.51 116.98 1ssf n ALA 108 Ca 0.09 -0.45 -0.30 0.00 0.00 0.00 0.00 53.44 52.78 1ssf n ALA 108 Cb 0.19 -0.90 -0.16 0.00 0.00 0.00 0.00 19.45 18.58 1ssf n ALA 108 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ssf s VAL 109 N -3.26 1.45 0.40 0.00 1.01 -1.10 -0.26 120.40 118.64 1ssf s VAL 109 Ca 0.01 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.00 1ssf s VAL 109 Cb 0.14 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1ssf s VAL 109 CO 0.84 0.00 0.18 0.27 0.00 0.00 0.00 175.10 176.39 1ssf s ILE 110 N 1.45 0.37 0.25 2.22 -0.00 -1.04 -4.61 121.20 119.85 1ssf s ILE 110 Ca -0.03 -2.00 0.01 0.00 -0.00 0.00 0.00 60.65 58.63 1ssf s ILE 110 Cb -0.17 -2.34 -0.05 0.00 -0.00 0.00 0.00 42.46 39.90 1ssf s ILE 110 CO -0.07 0.00 0.12 -1.48 -0.00 0.00 0.00 174.94 173.51 1ssf s LEU 111 N -3.56 1.50 0.49 0.37 0.05 -1.10 -1.73 118.68 114.70 1ssf s LEU 111 Ca 0.27 -1.42 0.06 0.00 0.05 0.00 0.00 54.13 53.09 1ssf s LEU 111 Cb 0.02 0.16 0.00 0.00 -2.05 0.00 0.00 46.19 44.32 1ssf s LEU 111 CO 0.19 -0.79 0.31 -0.55 -0.55 0.00 0.00 176.35 174.95 1ssf s SER 112 N -3.28 4.59 0.00 1.48 0.15 -1.26 -2.35 113.70 113.03 1ssf s SER 112 Ca 0.38 -1.18 0.30 0.00 0.70 0.00 0.00 55.95 56.15 1ssf s SER 112 Cb 0.07 0.08 1.49 0.00 -1.71 0.00 0.00 66.02 65.94 1ssf s SER 112 CO 0.14 -0.88 2.04 0.00 1.20 0.00 0.00 173.24 175.73 1ssf n LEU 113 N -1.56 0.00 0.15 3.45 -0.00 -1.24 -0.41 117.00 117.39 1ssf n LEU 113 Ca -0.02 0.31 0.03 0.00 -0.00 0.00 0.00 56.01 56.32 1ssf n LEU 113 Cb 0.64 -0.31 0.09 0.00 -0.00 0.00 0.00 43.42 43.85 1ssf n LEU 113 CO 0.41 -0.00 0.51 -0.08 -0.00 0.00 0.00 177.39 178.23 1ssf h GLU 114 N 0.00 0.00 0.14 1.47 4.81 -1.96 0.76 114.58 119.80 1ssf h GLU 114 Ca 0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 1ssf h GLU 114 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1ssf h GLU 114 CO 0.00 0.49 -1.45 1.96 -0.73 0.00 0.00 179.01 179.28 1ssf h GLN 115 N 0.00 0.29 -0.08 1.92 4.20 -1.79 -2.21 115.11 117.45 1ssf h GLN 115 Ca -0.00 -0.50 0.02 0.00 0.06 0.00 0.00 58.65 58.23 1ssf h GLN 115 Cb 1.29 0.19 -0.03 0.00 0.30 0.00 0.00 27.48 29.23 1ssf h GLN 115 CO 0.06 1.19 -0.07 0.78 -0.67 0.00 0.00 178.83 180.12 1ssf h GLY 116 N 1.46 -0.01 1.89 3.46 0.00 -0.64 -1.77 103.07 107.46 1ssf h GLY 116 Ca -0.21 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1ssf h GLY 116 CO 0.19 -0.09 0.00 0.70 0.00 0.00 0.00 176.54 177.34 1ssf n ASN 117 N -5.20 0.00 -0.03 0.19 3.02 0.26 -0.33 115.26 113.18 1ssf n ASN 117 Ca -0.05 0.38 -0.13 0.00 -0.03 0.00 0.00 54.58 54.75 1ssf n ASN 117 Cb 0.13 -0.45 -0.11 0.00 -0.61 0.00 0.00 39.78 38.75 1ssf n ASN 117 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 1ssf h ARG 118 N 0.00 -0.02 0.05 3.52 0.11 -0.67 -3.38 114.38 113.99 1ssf h ARG 118 Ca 0.00 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.79 1ssf h ARG 118 Cb 0.30 0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.36 1ssf h ARG 118 CO 0.00 0.64 -1.53 1.25 0.10 0.00 0.00 179.97 180.42 1ssf h LEU 119 N -0.72 0.17 -1.41 0.08 6.46 -1.36 -3.42 115.31 115.11 1ssf h LEU 119 Ca -0.00 -0.27 0.39 0.00 -0.12 0.00 0.00 57.88 57.87 1ssf h LEU 119 Cb 0.67 -0.06 -0.12 0.00 -0.73 0.00 0.00 40.66 40.43 1ssf h LEU 119 CO 0.00 1.23 0.81 -0.09 -0.62 0.00 0.00 178.44 179.77 1ssf h ARG 120 N 0.03 0.16 0.00 1.25 2.43 -0.85 0.39 114.38 117.79 1ssf h ARG 120 Ca -0.23 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 58.84 1ssf h ARG 120 Cb 1.97 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 31.47 1ssf h ARG 120 CO 0.12 0.10 -1.14 1.05 -1.51 0.00 0.00 179.97 178.59 1ssf h GLU 121 N 0.16 0.00 0.00 0.20 4.11 -1.84 -2.69 114.58 114.52 1ssf h GLU 121 Ca 0.75 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.85 1ssf h GLU 121 Cb 2.29 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.49 1ssf h GLU 121 CO -0.37 0.17 -2.21 0.00 0.07 0.00 0.00 179.01 176.67 1ssf n GLN 122 N -2.83 0.50 0.00 1.06 10.64 0.14 -4.91 117.38 121.98 1ssf n GLN 122 Ca -0.05 0.16 0.00 0.00 -1.83 0.00 0.00 57.00 55.28 1ssf n GLN 122 Cb 0.71 -1.36 0.00 0.00 -0.86 0.00 0.00 30.24 28.73 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 0.11 -5.05 117.16 115.36 1ssf n TYR 123 Ca -0.40 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.18 1ssf n TYR 123 Cb 0.86 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.87 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 -0.97 0.18 2.72 0.00 -1.25 -4.56 105.19 101.15 1ssf n GLY 124 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 0.99 7.99 -1.24 -4.14 117.00 120.60 1ssf n LEU 125 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 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 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 1ssf n GLY 126 N -0.06 -1.40 0.01 -0.72 0.00 -1.02 -4.66 105.19 97.34 1ssf n GLY 126 Ca 0.00 0.96 0.14 0.00 0.00 0.00 0.00 46.02 47.12 1ssf n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ssf n PRO 127 N 0.00 0.12 -4.42 1.61 -0.04 -1.26 -4.87 135.00 126.14 1ssf n PRO 127 Ca 0.00 -0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.14 1ssf n PRO 127 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 1ssf n PRO 127 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1ssf s TYR 128 N -2.89 2.45 -2.85 0.54 5.04 -1.26 -4.83 117.35 113.55 1ssf s TYR 128 Ca 0.17 -0.31 0.25 0.00 -2.44 0.00 0.00 57.07 54.74 1ssf s TYR 128 Cb 0.19 -1.33 0.45 0.00 0.35 0.00 0.00 41.96 41.62 1ssf s TYR 128 CO 0.55 0.33 1.41 -0.85 -1.34 0.00 0.00 175.55 175.66