#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 0.42 -1.06 6.41 7.64 -1.26 -4.81 113.62 120.96 1ssf n SER 8 Ca 0.00 -1.20 -0.02 0.00 1.01 0.00 0.00 58.87 58.67 1ssf n SER 8 Cb 0.00 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.10 0.70 1.30 1.43 -1.74 -1.26 -4.81 117.46 112.97 1ssf n PHE 9 Ca 0.00 -1.62 0.03 0.00 -0.56 0.00 0.00 57.45 55.30 1ssf n PHE 9 Cb 0.42 -0.26 0.20 0.00 1.52 0.00 0.00 39.48 41.35 1ssf n PHE 9 CO 0.00 0.00 0.00 1.33 -0.56 0.00 0.00 176.76 177.53 1ssf n VAL 10 N -0.90 0.00 -2.14 1.97 0.24 -1.26 -2.20 118.33 114.04 1ssf n VAL 10 Ca 0.24 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.58 1ssf n VAL 10 Cb 0.79 -0.34 0.05 0.00 -1.47 0.00 0.00 33.84 32.87 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 0.20 1.74 3.74 7.63 0.00 -1.26 -3.16 105.19 114.09 1ssf n GLY 11 Ca 0.05 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.67 1.84 -0.20 0.99 0.20 -0.93 -4.78 118.68 115.13 1ssf s LEU 12 Ca 0.26 1.06 -0.14 0.00 0.69 0.00 0.00 54.13 56.00 1ssf s LEU 12 Cb 0.28 -3.33 -0.04 0.00 -0.43 0.00 0.00 46.19 42.66 1ssf s LEU 12 CO -0.10 -2.80 0.32 -0.13 -0.29 0.00 0.00 176.35 173.35 1ssf s ARG 13 N -5.14 4.18 0.08 1.98 3.00 -1.25 -2.42 118.95 119.37 1ssf s ARG 13 Ca 0.64 0.08 0.08 0.00 0.00 0.00 0.00 55.73 56.53 1ssf s ARG 13 Cb -0.16 -3.51 -0.03 0.00 0.00 0.00 0.00 34.95 31.25 1ssf s ARG 13 CO 0.55 0.06 -0.22 0.14 0.00 0.00 0.00 175.30 175.83 1ssf s VAL 14 N 1.02 1.80 0.08 3.52 -7.23 -0.94 0.89 120.40 119.53 1ssf s VAL 14 Ca 0.16 -1.44 0.04 0.00 -1.81 0.00 0.00 61.98 58.93 1ssf s VAL 14 Cb -0.14 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 1ssf s VAL 14 CO 0.06 0.08 0.03 0.68 -0.31 0.00 0.00 175.10 175.64 1ssf s VAL 15 N -1.00 4.21 -0.24 1.32 -7.23 -0.53 -0.67 120.40 116.26 1ssf s VAL 15 Ca 0.08 -0.88 -0.00 0.00 -1.81 0.00 0.00 61.98 59.37 1ssf s VAL 15 Cb -0.10 -3.00 0.07 0.00 0.56 0.00 0.00 36.38 33.91 1ssf s VAL 15 CO 0.03 0.14 -0.01 0.00 -0.31 0.00 0.00 175.10 174.96 1ssf s ALA 16 N -1.32 1.72 -0.12 1.32 0.00 0.23 -2.14 121.76 121.45 1ssf s ALA 16 Ca 0.26 -1.28 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 1ssf s ALA 16 Cb -0.12 -1.42 0.04 0.00 0.00 0.00 0.00 23.12 21.63 1ssf s ALA 16 CO 0.19 -1.27 0.04 -1.59 0.00 0.00 0.00 175.76 173.14 1ssf s LYS 17 N 1.51 0.35 0.06 0.00 -2.85 -1.08 -0.57 119.74 117.16 1ssf s LYS 17 Ca -0.02 -0.02 0.06 0.00 -1.00 0.00 0.00 55.97 54.99 1ssf s LYS 17 Cb -0.18 -1.37 -0.23 0.00 -2.06 0.00 0.00 37.83 33.99 1ssf s LYS 17 CO -0.09 -0.48 1.06 -1.49 0.10 0.00 0.00 175.35 174.45 1ssf h TRP 18 N 8.35 0.11 -3.78 1.78 4.06 -1.94 -3.38 115.95 121.16 1ssf h TRP 18 Ca -0.16 -0.08 -0.44 0.00 2.06 0.00 0.00 58.89 60.27 1ssf h TRP 18 Cb 1.13 -0.00 -0.20 0.00 -1.00 0.00 0.00 29.16 29.08 1ssf h TRP 18 CO 0.35 1.08 -0.78 0.45 -3.56 0.00 0.00 178.44 175.99 1ssf s SER 19 N -6.65 1.96 -0.46 -3.49 0.15 -1.26 -4.94 113.70 99.01 1ssf s SER 19 Ca -0.02 -0.71 -0.28 0.00 0.70 0.00 0.00 55.95 55.63 1ssf s SER 19 Cb 0.09 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1ssf s SER 19 CO 0.83 -0.09 1.55 -0.94 1.20 0.00 0.00 173.24 175.79 1ssf s SER 20 N -2.09 6.06 -0.09 5.45 1.04 -1.26 -4.80 113.70 118.00 1ssf s SER 20 Ca 0.04 0.72 0.18 0.00 0.48 0.00 0.00 55.95 57.37 1ssf s SER 20 Cb -0.08 -2.54 -0.26 0.00 0.10 0.00 0.00 66.02 63.24 1ssf s SER 20 CO 0.03 -1.68 0.26 -3.20 0.98 0.00 0.00 173.24 169.63 1ssf n ASN 21 N 9.81 0.60 0.00 7.02 4.05 -1.26 -5.01 115.26 130.48 1ssf n ASN 21 Ca 0.17 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.20 1ssf n ASN 21 Cb 0.49 1.46 0.00 0.00 1.23 0.00 0.00 39.78 42.95 1ssf n ASN 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ssf n GLY 22 N 1.63 2.51 3.07 8.20 0.00 -1.26 -5.08 105.19 114.26 1ssf n GLY 22 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.43 0.69 0.10 1.61 1.51 -1.26 -0.85 117.35 116.72 1ssf s TYR 23 Ca 0.00 -0.52 0.09 0.00 -1.01 0.00 0.00 57.07 55.63 1ssf s TYR 23 Cb 0.00 -0.41 -0.04 0.00 -0.11 0.00 0.00 41.96 41.40 1ssf s TYR 23 CO 0.00 -0.08 -0.23 -0.06 -1.11 0.00 0.00 175.55 174.07 1ssf s PHE 24 N -1.50 2.42 0.37 2.71 0.08 0.11 -4.85 117.98 117.31 1ssf s PHE 24 Ca -0.09 -0.33 0.05 0.00 0.12 0.00 0.00 56.93 56.68 1ssf s PHE 24 Cb -0.09 -1.34 0.06 0.00 -0.57 0.00 0.00 43.02 41.09 1ssf s PHE 24 CO 0.00 0.30 0.51 0.66 -0.10 0.00 0.00 175.22 176.59 1ssf n TYR 25 N 1.12 -2.69 -4.15 0.36 4.01 0.27 -2.78 117.16 113.30 1ssf n TYR 25 Ca -0.17 -1.23 -0.10 0.00 -0.16 0.00 0.00 57.90 56.24 1ssf n TYR 25 Cb 0.53 -0.35 -0.10 0.00 -0.31 0.00 0.00 39.34 39.10 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 -3.23 0.90 0.15 7.72 0.15 -1.26 -0.60 113.70 117.53 1ssf s SER 26 Ca 0.37 -1.04 -0.01 0.00 0.70 0.00 0.00 55.95 55.98 1ssf s SER 26 Cb -0.03 0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.38 1ssf s SER 26 CO 0.24 -0.53 0.07 -0.83 1.20 0.00 0.00 173.24 173.39 1ssf s GLY 27 N -3.02 1.11 0.01 9.45 0.00 0.15 0.12 107.32 115.14 1ssf s GLY 27 Ca 0.13 -1.53 -0.02 0.00 0.00 0.00 0.00 44.72 43.29 1ssf s GLY 27 CO -0.05 -1.38 0.02 -1.59 0.00 0.00 0.00 173.10 170.11 1ssf s LYS 28 N -4.07 0.34 0.17 2.90 0.00 0.20 -2.22 119.74 117.06 1ssf s LYS 28 Ca 0.28 -0.49 0.06 0.00 0.00 0.00 0.00 55.97 55.82 1ssf s LYS 28 Cb 0.07 0.13 -0.04 0.00 0.00 0.00 0.00 37.83 37.99 1ssf s LYS 28 CO 0.04 -0.06 0.09 -1.50 0.00 0.00 0.00 175.35 173.92 1ssf s ILE 29 N -1.30 4.23 -0.01 3.79 2.07 -1.02 -0.90 121.20 128.07 1ssf s ILE 29 Ca -0.14 -1.22 0.00 0.00 -1.41 0.00 0.00 60.65 57.88 1ssf s ILE 29 Cb -0.08 -3.16 -0.00 0.00 0.13 0.00 0.00 42.46 39.34 1ssf s ILE 29 CO -0.00 -0.13 -0.01 0.41 -1.91 0.00 0.00 174.94 173.31 1ssf n THR 30 N -0.33 0.04 -3.93 4.00 -1.04 0.03 -4.04 114.28 109.01 1ssf n THR 30 Ca -0.09 -0.01 -0.09 0.00 -2.04 0.00 0.00 64.05 61.82 1ssf n THR 30 Cb 0.55 -0.57 -0.08 0.00 -1.82 0.00 0.00 70.33 68.41 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 -2.01 0.84 0.13 -2.82 0.52 -0.54 -4.71 118.95 110.37 1ssf s ARG 31 Ca -0.01 -1.06 -0.17 0.00 -0.52 0.00 0.00 55.73 53.97 1ssf s ARG 31 Cb 0.00 0.32 -0.07 0.00 0.52 0.00 0.00 34.95 35.72 1ssf s ARG 31 CO 0.02 -0.26 0.58 0.16 0.02 0.00 0.00 175.30 175.82 1ssf s ASP 32 N -2.90 6.95 -0.12 0.23 -4.77 -1.26 -0.98 116.67 113.82 1ssf s ASP 32 Ca 0.08 1.20 0.02 0.00 -3.30 0.00 0.00 52.55 50.55 1ssf s ASP 32 Cb 0.05 -2.33 -0.00 0.00 -1.09 0.00 0.00 42.92 39.55 1ssf s ASP 32 CO -0.09 0.15 -0.20 0.68 0.70 0.00 0.00 175.17 176.42 1ssf s VAL 33 N -1.35 2.40 0.00 2.11 -7.23 -1.02 -4.80 120.40 110.51 1ssf s VAL 33 Ca 0.36 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.63 1ssf s VAL 33 Cb -0.17 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 34.81 1ssf s VAL 33 CO 0.19 0.55 0.00 0.61 -0.31 0.00 0.00 175.10 176.14 1ssf n GLY 34 N 3.60 0.00 3.38 2.32 0.00 -1.26 -2.47 105.19 110.76 1ssf n GLY 34 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 3.23 0.00 4.61 0.00 -1.26 -4.51 121.76 123.83 1ssf s ALA 35 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.37 1ssf s ALA 35 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1ssf s ALA 35 CO 0.00 -1.18 0.00 0.41 0.00 0.00 0.00 175.76 174.99 1ssf n GLY 36 N 4.96 0.90 3.85 0.00 0.00 -1.26 -4.91 105.19 108.72 1ssf n GLY 36 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.03 3.11 -0.03 1.61 -2.85 -1.03 0.15 119.74 120.67 1ssf s LYS 37 Ca 0.00 -0.71 0.01 0.00 -1.00 0.00 0.00 55.97 54.27 1ssf s LYS 37 Cb 0.00 -2.79 0.01 0.00 -2.06 0.00 0.00 37.83 32.99 1ssf s LYS 37 CO 0.00 0.52 -0.05 0.71 0.10 0.00 0.00 175.35 176.63 1ssf s TYR 38 N -1.66 0.67 -0.41 1.78 2.02 -0.39 -2.43 117.35 116.93 1ssf s TYR 38 Ca 0.32 -0.16 -0.06 0.00 -0.37 0.00 0.00 57.07 56.80 1ssf s TYR 38 Cb -0.11 -0.55 0.09 0.00 -0.40 0.00 0.00 41.96 41.00 1ssf s TYR 38 CO 0.25 -0.12 0.22 0.21 -1.57 0.00 0.00 175.55 174.54 1ssf s LYS 39 N 0.52 2.32 0.20 -0.62 2.47 -0.16 -1.55 119.74 122.93 1ssf s LYS 39 Ca -0.07 -1.63 0.01 0.00 -1.56 0.00 0.00 55.97 52.72 1ssf s LYS 39 Cb -0.10 -3.65 -0.05 0.00 -1.46 0.00 0.00 37.83 32.57 1ssf s LYS 39 CO 0.00 -1.00 0.06 -0.48 0.16 0.00 0.00 175.35 174.09 1ssf s LEU 40 N 1.28 1.76 0.10 5.43 -0.00 -0.88 -0.79 118.68 125.58 1ssf s LEU 40 Ca 0.04 -1.29 0.06 0.00 -0.00 0.00 0.00 54.13 52.95 1ssf s LEU 40 Cb -0.23 0.08 -0.03 0.00 -0.00 0.00 0.00 46.19 46.01 1ssf s LEU 40 CO -0.01 -0.69 -0.15 -0.22 -0.00 0.00 0.00 176.35 175.27 1ssf s LEU 41 N -3.21 2.35 0.85 1.48 0.20 -0.07 -2.04 118.68 118.25 1ssf s LEU 41 Ca 0.31 -0.73 -0.12 0.00 0.69 0.00 0.00 54.13 54.28 1ssf s LEU 41 Cb 0.07 -0.61 0.10 0.00 -0.43 0.00 0.00 46.19 45.32 1ssf s LEU 41 CO 0.08 -0.08 1.11 -0.36 -0.29 0.00 0.00 176.35 176.81 1ssf s PHE 42 N -1.69 2.65 -2.00 5.38 0.40 -0.15 -0.62 117.98 121.95 1ssf s PHE 42 Ca 0.05 1.03 0.14 0.00 -0.60 0.00 0.00 56.93 57.55 1ssf s PHE 42 Cb -0.07 -3.24 0.81 0.00 0.51 0.00 0.00 43.02 41.03 1ssf s PHE 42 CO 0.03 -2.08 1.27 -3.47 0.70 0.00 0.00 175.22 171.67 1ssf n ASP 43 N -3.61 0.00 0.00 1.36 2.03 0.12 -1.86 116.55 114.58 1ssf n ASP 43 Ca 0.07 -0.80 0.00 0.00 0.52 0.00 0.00 54.79 54.58 1ssf n ASP 43 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1ssf n ASP 43 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1ssf n ASP 44 N -0.85 0.75 0.00 1.67 5.68 -1.26 -4.88 116.55 117.66 1ssf n ASP 44 Ca 0.10 -1.03 0.00 0.00 -0.50 0.00 0.00 54.79 53.36 1ssf n ASP 44 Cb 0.05 0.00 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 -0.02 1.00 3.43 6.12 0.00 -0.78 -5.09 105.19 109.86 1ssf n GLY 45 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 3.01 0.12 1.61 5.04 -1.26 -4.79 117.35 119.08 1ssf s TYR 46 Ca 0.00 -0.64 -0.05 0.00 -2.44 0.00 0.00 57.07 53.95 1ssf s TYR 46 Cb 0.00 -3.72 -0.05 0.00 0.35 0.00 0.00 41.96 38.54 1ssf s TYR 46 CO 0.00 -1.14 0.34 -2.00 -1.34 0.00 0.00 175.55 171.41 1ssf s GLU 47 N 2.75 3.60 0.26 4.97 2.12 -1.26 -0.98 118.70 130.16 1ssf s GLU 47 Ca 0.15 -0.12 -0.20 0.00 0.36 0.00 0.00 54.97 55.16 1ssf s GLU 47 Cb -0.20 -2.90 0.07 0.00 0.26 0.00 0.00 34.13 31.35 1ssf s GLU 47 CO 0.10 0.51 0.93 0.00 -0.54 0.00 0.00 175.26 176.26 1ssf s ASP 49 N -3.24 2.28 0.18 0.00 1.11 -1.26 -2.08 116.67 113.66 1ssf s ASP 49 Ca 0.19 -0.37 -0.09 0.00 0.18 0.00 0.00 52.55 52.46 1ssf s ASP 49 Cb -0.04 -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 0.31 0.68 1.18 0.00 0.00 175.17 177.61 1ssf s VAL 50 N -0.17 0.05 0.10 -1.27 -7.23 -0.60 -5.01 120.40 106.27 1ssf s VAL 50 Ca 0.00 -1.43 -0.26 0.00 -1.81 0.00 0.00 61.98 58.49 1ssf s VAL 50 Cb -0.10 -1.97 -0.06 0.00 0.56 0.00 0.00 36.38 34.81 1ssf s VAL 50 CO 0.01 -0.21 0.79 -0.22 -0.31 0.00 0.00 175.10 175.16 1ssf s LEU 51 N -2.99 4.51 0.42 1.32 1.98 -1.26 -1.26 118.68 121.39 1ssf s LEU 51 Ca 0.20 1.55 0.22 0.00 -2.89 0.00 0.00 54.13 53.21 1ssf s LEU 51 Cb 0.03 -3.29 0.86 0.00 0.66 0.00 0.00 46.19 44.45 1ssf s LEU 51 CO 0.03 0.08 1.81 1.23 -1.89 0.00 0.00 176.35 177.60 1ssf h GLY 52 N 5.17 0.00 1.33 7.98 0.00 -0.52 -3.24 103.07 113.79 1ssf h GLY 52 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1ssf h GLY 52 CO 0.69 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.81 1ssf n LYS 53 N -3.46 0.02 0.00 4.80 0.00 -1.26 -2.24 118.16 116.02 1ssf n LYS 53 Ca -0.00 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 1ssf n LYS 53 Cb 0.45 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.98 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 -1.17 0.00 -4.11 -5.58 8.00 -1.22 -4.95 116.55 107.53 1ssf n ASP 54 Ca 0.01 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.16 1ssf n ASP 54 Cb 0.01 -0.07 -0.12 0.00 -0.02 0.00 0.00 41.12 40.91 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 -0.17 3.08 0.13 0.53 -1.09 -0.95 -2.65 121.20 120.09 1ssf s ILE 55 Ca 0.00 -2.04 0.02 0.00 -2.23 0.00 0.00 60.65 56.40 1ssf s ILE 55 Cb 0.00 -3.11 -0.04 0.00 -1.58 0.00 0.00 42.46 37.73 1ssf s ILE 55 CO 0.00 -0.62 -0.04 -1.48 -1.23 0.00 0.00 174.94 171.57 1ssf s LEU 56 N 1.11 2.35 -0.66 2.97 0.05 -0.91 -4.48 118.68 119.11 1ssf s LEU 56 Ca 0.07 -1.07 -0.31 0.00 0.05 0.00 0.00 54.13 52.87 1ssf s LEU 56 Cb -0.22 -0.09 -0.15 0.00 -2.05 0.00 0.00 46.19 43.69 1ssf s LEU 56 CO -0.05 -0.49 2.46 0.00 -0.55 0.00 0.00 176.35 177.72 1ssf n LEU 57 N -0.13 1.37 -4.60 1.48 -0.00 -1.26 -1.45 117.00 112.41 1ssf n LEU 57 Ca -0.10 0.04 -0.27 0.00 -0.00 0.00 0.00 56.01 55.68 1ssf n LEU 57 Cb 0.62 -1.21 -0.09 0.00 -0.00 0.00 0.00 43.42 42.74 1ssf n LEU 57 CO 0.32 -1.00 -0.25 0.00 -0.00 0.00 0.00 177.39 176.46 1ssf n ASP 59 N -1.08 2.56 0.00 0.00 8.00 -1.26 -3.96 116.55 120.81 1ssf n ASP 59 Ca -0.09 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1ssf n ASP 59 Cb 0.66 0.31 0.00 0.00 -0.02 0.00 0.00 41.12 42.07 1ssf n ASP 59 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1ssf n PRO 60 N -2.65 0.00 -4.33 -0.24 -0.04 -1.26 -5.01 135.00 121.47 1ssf n PRO 60 Ca -0.21 0.30 -0.23 0.00 -0.04 0.00 0.00 63.50 63.31 1ssf n PRO 60 Cb 0.82 -1.01 -0.08 0.00 -0.04 0.00 0.00 33.50 33.19 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 -1.26 3.27 0.25 0.52 1.09 -1.26 -4.95 121.20 118.86 1ssf s ILE 61 Ca 0.00 -2.00 -0.30 0.00 -1.10 0.00 0.00 60.65 57.25 1ssf s ILE 61 Cb 0.00 -2.75 -0.10 0.00 -1.06 0.00 0.00 42.46 38.55 1ssf s ILE 61 CO 0.00 -0.38 1.48 -2.84 -0.10 0.00 0.00 174.94 173.10 1ssf s PRO 62 N -3.65 4.23 0.00 2.79 0.02 -1.26 -4.82 135.00 132.32 1ssf s PRO 62 Ca 0.31 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.69 1ssf s PRO 62 Cb -0.06 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1ssf s PRO 62 CO 0.19 -0.48 0.00 1.28 -0.33 0.00 0.00 177.00 177.66 1ssf n LEU 63 N 2.41 0.00 -0.58 -5.54 4.32 -1.26 -0.51 117.00 115.84 1ssf n LEU 63 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 1ssf n LEU 63 Cb 0.40 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 1ssf n LEU 63 CO 0.61 0.00 0.24 0.47 -1.22 0.00 0.00 177.39 177.49 1ssf n ASP 64 N 0.00 0.07 -4.18 -1.43 8.00 -1.04 -4.41 116.55 113.56 1ssf n ASP 64 Ca 0.00 -1.89 -0.35 0.00 0.71 0.00 0.00 54.79 53.26 1ssf n ASP 64 Cb 0.00 -0.18 -0.14 0.00 -0.02 0.00 0.00 41.12 40.78 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 2.91 -0.71 -3.53 2.01 0.34 -4.92 115.64 111.73 1ssf s THR 65 Ca 0.03 -1.24 -0.26 0.00 0.31 0.00 0.00 61.69 60.53 1ssf s THR 65 Cb 0.03 -2.59 -0.06 0.00 0.01 0.00 0.00 72.50 69.89 1ssf s THR 65 CO -0.01 0.03 2.08 -1.83 -0.69 0.00 0.00 174.62 174.19 1ssf s GLU 66 N 1.28 2.34 0.46 4.92 -1.05 -1.26 -0.52 118.70 124.87 1ssf s GLU 66 Ca -0.03 0.46 0.07 0.00 -0.15 0.00 0.00 54.97 55.31 1ssf s GLU 66 Cb -0.18 -4.70 0.02 0.00 -0.44 0.00 0.00 34.13 28.83 1ssf s GLU 66 CO -0.03 -3.31 0.63 0.14 0.95 0.00 0.00 175.26 173.64 1ssf s VAL 67 N 10.89 2.86 -0.10 1.83 -7.23 0.09 -4.80 120.40 123.93 1ssf s VAL 67 Ca 0.78 -0.94 -0.14 0.00 -1.81 0.00 0.00 61.98 59.87 1ssf s VAL 67 Cb -0.12 -2.93 -0.05 0.00 0.56 0.00 0.00 36.38 33.85 1ssf s VAL 67 CO 0.13 0.00 0.34 0.28 -0.31 0.00 0.00 175.10 175.54 1ssf s THR 68 N -2.46 5.23 -0.10 5.32 -1.32 -0.65 -1.33 115.64 120.32 1ssf s THR 68 Ca 0.56 0.66 -0.06 0.00 -1.21 0.00 0.00 61.69 61.64 1ssf s THR 68 Cb -0.10 -3.66 -0.04 0.00 -1.51 0.00 0.00 72.50 67.19 1ssf s THR 68 CO 0.35 0.46 0.14 0.00 -2.21 0.00 0.00 174.62 173.36 1ssf s ALA 69 N -0.10 3.88 -0.57 11.08 0.00 0.10 -0.99 121.76 135.16 1ssf s ALA 69 Ca 0.20 -0.66 -0.26 0.00 0.00 0.00 0.00 51.96 51.23 1ssf s ALA 69 Cb -0.14 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 1ssf s ALA 69 CO 0.08 0.64 2.10 -1.17 0.00 0.00 0.00 175.76 177.41 1ssf s LEU 70 N -1.17 3.33 0.21 0.00 1.98 0.63 -3.76 118.68 119.89 1ssf s LEU 70 Ca 0.17 0.62 0.00 0.00 -2.89 0.00 0.00 54.13 52.03 1ssf s LEU 70 Cb -0.12 -2.52 -0.04 0.00 0.66 0.00 0.00 46.19 44.17 1ssf s LEU 70 CO 0.06 -2.63 0.10 -0.44 -1.89 0.00 0.00 176.35 171.55 1ssf s SER 71 N 9.90 0.65 0.75 3.68 0.01 -1.26 -5.06 113.70 122.36 1ssf s SER 71 Ca 0.80 -1.34 -0.15 0.00 1.31 0.00 0.00 55.95 56.57 1ssf s SER 71 Cb -0.14 0.26 -0.13 0.00 0.21 0.00 0.00 66.02 66.22 1ssf s SER 71 CO 0.22 -0.76 -0.53 -1.84 0.41 0.00 0.00 173.24 170.75 1ssf n GLU 72 N -0.31 0.00 -0.17 12.44 0.00 -1.26 -4.35 120.64 126.98 1ssf n GLU 72 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.12 1ssf n GLU 72 Cb 0.66 -0.89 0.03 0.00 0.00 0.00 0.00 31.44 31.24 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 -0.61 -0.66 -0.00 -1.84 3.32 -2.00 0.12 116.42 114.74 1ssf h ASP 73 Ca -0.38 0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1ssf h ASP 73 Cb 1.19 0.39 0.00 0.00 0.22 0.00 0.00 39.33 41.13 1ssf h ASP 73 CO 0.26 -0.22 -0.40 1.21 -1.72 0.00 0.00 179.24 178.36 1ssf n GLU 74 N -5.40 3.34 -0.09 3.56 2.13 -1.26 -4.75 120.64 118.17 1ssf n GLU 74 Ca 0.05 -0.15 0.06 0.00 0.66 0.00 0.00 57.16 57.77 1ssf n GLU 74 Cb 0.31 -1.00 0.10 0.00 0.27 0.00 0.00 31.44 31.12 1ssf n GLU 74 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1ssf n TYR 75 N -0.99 0.23 -0.86 4.31 4.01 -0.97 -5.05 117.16 117.84 1ssf n TYR 75 Ca 0.02 -0.23 -0.33 0.00 -0.16 0.00 0.00 57.90 57.20 1ssf n TYR 75 Cb 0.17 -0.01 0.13 0.00 -0.31 0.00 0.00 39.34 39.31 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 0.62 -0.44 -4.08 -0.72 1.16 -0.01 -4.73 117.46 109.27 1ssf n PHE 76 Ca 0.09 0.31 -0.07 0.00 -1.87 0.00 0.00 57.45 55.91 1ssf n PHE 76 Cb 0.36 -1.90 -0.10 0.00 -1.61 0.00 0.00 39.48 36.24 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 -2.11 0.45 0.45 5.98 0.01 -1.25 -4.93 113.70 112.30 1ssf s SER 77 Ca 0.63 -0.98 -0.20 0.00 1.31 0.00 0.00 55.95 56.70 1ssf s SER 77 Cb -0.24 0.22 -0.10 0.00 0.21 0.00 0.00 66.02 66.10 1ssf s SER 77 CO 0.62 -0.62 0.97 0.00 0.41 0.00 0.00 173.24 174.62 1ssf s ALA 78 N -3.92 3.01 0.15 1.44 0.00 -1.26 0.00 121.76 121.19 1ssf s ALA 78 Ca 0.08 0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 1ssf s ALA 78 Cb 0.08 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 20.07 1ssf s ALA 78 CO -0.10 0.00 0.47 0.20 0.00 0.00 0.00 175.76 176.34 1ssf s GLY 79 N -2.25 -0.29 -0.22 0.00 0.00 -0.44 -4.84 107.32 99.28 1ssf s GLY 79 Ca 0.63 0.01 -0.08 0.00 0.00 0.00 0.00 44.72 45.28 1ssf s GLY 79 CO 0.16 -0.20 0.08 0.14 0.00 0.00 0.00 173.10 173.28 1ssf s VAL 80 N -3.81 4.63 0.05 1.40 1.01 0.17 -0.73 120.40 123.11 1ssf s VAL 80 Ca 0.04 -0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.64 1ssf s VAL 80 Cb 0.01 -3.14 -0.07 0.00 0.00 0.00 0.00 36.38 33.18 1ssf s VAL 80 CO -0.10 0.38 1.52 0.68 0.00 0.00 0.00 175.10 177.58 1ssf s VAL 81 N 1.09 3.34 0.00 2.92 -7.23 0.32 0.03 120.40 120.87 1ssf s VAL 81 Ca 0.05 0.78 0.00 0.00 -1.81 0.00 0.00 61.98 61.00 1ssf s VAL 81 Cb -0.14 -3.50 0.00 0.00 0.56 0.00 0.00 36.38 33.29 1ssf s VAL 81 CO 0.03 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.12 1ssf n LYS 82 N 5.32 0.00 -3.84 4.82 5.02 -1.08 -2.49 118.16 125.91 1ssf n LYS 82 Ca 0.14 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.31 1ssf n LYS 82 Cb 0.42 -0.49 -0.12 0.00 -0.02 0.00 0.00 35.03 34.82 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 -4.66 -0.05 0.03 0.72 0.00 -1.24 -4.88 107.32 97.23 1ssf s GLY 83 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 44.72 44.94 1ssf s GLY 83 CO 0.00 0.12 -0.05 -2.38 0.00 0.00 0.00 173.10 170.79 1ssf s HIS 84 N -0.44 0.44 0.09 1.90 -3.43 -1.26 -1.55 115.29 111.03 1ssf s HIS 84 Ca -0.05 -0.48 -0.03 0.00 -0.80 0.00 0.00 55.06 53.70 1ssf s HIS 84 Cb -0.03 -0.28 -0.03 0.00 -1.43 0.00 0.00 32.58 30.80 1ssf s HIS 84 CO 0.01 -0.13 0.05 -0.98 -2.00 0.00 0.00 174.74 171.69 1ssf s ARG 85 N -1.41 0.78 0.03 -0.38 1.04 -0.77 -5.04 118.95 113.18 1ssf s ARG 85 Ca -0.12 -1.23 0.01 0.00 -1.04 0.00 0.00 55.73 53.35 1ssf s ARG 85 Cb -0.09 0.25 -0.02 0.00 -2.04 0.00 0.00 34.95 33.05 1ssf s ARG 85 CO -0.00 -0.20 -0.05 -1.59 -0.04 0.00 0.00 175.30 173.41 1ssf s LYS 86 N -3.95 0.41 0.29 3.89 -2.85 -1.26 -1.98 119.74 114.29 1ssf s LYS 86 Ca 0.12 -0.60 0.11 0.00 -1.00 0.00 0.00 55.97 54.60 1ssf s LYS 86 Cb 0.07 -0.14 -0.05 0.00 -2.06 0.00 0.00 37.83 35.65 1ssf s LYS 86 CO -0.06 0.02 -0.11 -2.00 0.10 0.00 0.00 175.35 173.29 1ssf s GLU 87 N -1.30 1.89 0.00 1.78 -6.30 0.45 -5.00 118.70 110.21 1ssf s GLU 87 Ca -0.10 -1.72 -0.14 0.00 -2.50 0.00 0.00 54.97 50.51 1ssf s GLU 87 Cb -0.09 -1.87 -0.17 0.00 0.00 0.00 0.00 34.13 32.00 1ssf s GLU 87 CO -0.00 0.28 1.23 0.45 0.02 0.00 0.00 175.26 177.24 1ssf n SER 88 N -0.75 0.44 0.00 -1.70 2.88 -1.26 -1.78 113.62 111.44 1ssf n SER 88 Ca -0.05 -2.16 0.00 0.00 -1.33 0.00 0.00 58.87 55.33 1ssf n SER 88 Cb 0.61 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 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 4.41 1.56 2.96 0.46 0.00 -1.26 -5.13 105.19 108.19 1ssf n GLY 89 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 0.25 -0.05 1.61 2.12 -0.74 -5.17 118.70 116.61 1ssf s GLU 90 Ca 0.00 -0.48 0.01 0.00 0.36 0.00 0.00 54.97 54.86 1ssf s GLU 90 Cb 0.00 0.08 0.02 0.00 0.26 0.00 0.00 34.13 34.49 1ssf s GLU 90 CO 0.00 -0.04 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.46 1ssf s LEU 91 N -1.15 1.39 -0.08 2.70 0.20 -1.26 -0.42 118.68 120.06 1ssf s LEU 91 Ca -0.12 -0.16 -0.06 0.00 0.69 0.00 0.00 54.13 54.48 1ssf s LEU 91 Cb -0.08 -0.52 0.03 0.00 -0.43 0.00 0.00 46.19 45.19 1ssf s LEU 91 CO -0.01 -0.04 0.21 -0.72 -0.29 0.00 0.00 176.35 175.50 1ssf s TYR 92 N 0.87 -0.25 -0.17 5.38 -0.85 -0.84 -3.20 117.35 118.30 1ssf s TYR 92 Ca -0.12 0.61 -0.05 0.00 -0.52 0.00 0.00 57.07 57.00 1ssf s TYR 92 Cb -0.15 0.05 -0.03 0.00 0.38 0.00 0.00 41.96 42.22 1ssf s TYR 92 CO 0.01 -0.15 -0.01 0.71 -1.52 0.00 0.00 175.55 174.59 1ssf s TYR 93 N 0.53 3.07 -0.60 -3.49 1.51 0.30 -1.85 117.35 116.83 1ssf s TYR 93 Ca -0.03 -0.25 -0.21 0.00 -1.01 0.00 0.00 57.07 55.56 1ssf s TYR 93 Cb -0.05 -2.01 0.07 0.00 -0.11 0.00 0.00 41.96 39.86 1ssf s TYR 93 CO -0.03 -0.04 0.83 -1.54 -1.11 0.00 0.00 175.55 173.67 1ssf s SER 94 N 0.50 6.21 -0.32 2.29 1.04 -0.59 -0.93 113.70 121.89 1ssf s SER 94 Ca -0.02 -0.99 -0.12 0.00 0.48 0.00 0.00 55.95 55.31 1ssf s SER 94 Cb -0.14 -2.37 -0.02 0.00 0.10 0.00 0.00 66.02 63.59 1ssf s SER 94 CO 0.02 -1.23 0.21 -0.63 0.98 0.00 0.00 173.24 172.60 1ssf s ILE 95 N 3.43 5.14 -0.50 -1.02 -1.09 -0.02 -2.63 121.20 124.52 1ssf s ILE 95 Ca 0.19 -0.16 -0.23 0.00 -2.23 0.00 0.00 60.65 58.21 1ssf s ILE 95 Cb -0.19 -3.59 0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1ssf s ILE 95 CO 0.11 0.07 0.85 -0.70 -1.23 0.00 0.00 174.94 174.04 1ssf s GLU 96 N 1.71 3.35 -0.06 2.79 -6.30 0.10 -0.04 118.70 120.26 1ssf s GLU 96 Ca 0.06 -0.23 -0.04 0.00 -2.50 0.00 0.00 54.97 52.26 1ssf s GLU 96 Cb -0.17 -4.01 0.03 0.00 0.00 0.00 0.00 34.13 29.99 1ssf s GLU 96 CO 0.10 -1.31 0.15 0.21 0.02 0.00 0.00 175.26 174.43 1ssf s LYS 97 N 3.57 0.12 0.00 4.30 2.20 0.15 -0.66 119.74 129.42 1ssf s LYS 97 Ca 0.29 0.33 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 1ssf s LYS 97 Cb -0.13 -0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.09 1ssf s LYS 97 CO 0.20 -0.13 0.00 -1.91 -0.36 0.00 0.00 175.35 173.16 1ssf n GLU 98 N 3.88 -0.40 0.00 4.03 4.07 -1.26 -2.10 120.64 128.86 1ssf n GLU 98 Ca -0.23 0.10 0.00 0.00 -0.06 0.00 0.00 57.16 56.97 1ssf n GLU 98 Cb 0.54 -3.88 0.00 0.00 -0.06 0.00 0.00 31.44 28.03 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 -1.53 1.21 3.27 8.31 0.00 -1.26 -5.11 105.19 110.07 1ssf n GLY 99 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.05 1.34 -0.22 1.61 1.03 -0.89 -5.14 119.66 117.33 1ssf s GLN 100 Ca 0.00 -1.72 -0.16 0.00 0.04 0.00 0.00 55.36 53.52 1ssf s GLN 100 Cb 0.00 -0.00 -0.04 0.00 0.03 0.00 0.00 33.01 33.00 1ssf s GLN 100 CO 0.00 -0.36 0.43 1.03 -2.54 0.00 0.00 175.29 173.85 1ssf s ARG 101 N -4.06 4.13 -0.19 9.60 3.00 -1.26 0.30 118.95 130.46 1ssf s ARG 101 Ca 0.38 0.22 -0.16 0.00 0.00 0.00 0.00 55.73 56.17 1ssf s ARG 101 Cb 0.07 -3.58 -0.04 0.00 0.00 0.00 0.00 34.95 31.40 1ssf s ARG 101 CO 0.14 -0.15 0.38 0.15 0.00 0.00 0.00 175.30 175.82 1ssf s LYS 102 N 1.67 4.19 -0.43 3.54 3.01 0.95 -4.89 119.74 127.78 1ssf s LYS 102 Ca 0.19 0.19 -0.14 0.00 -1.01 0.00 0.00 55.97 55.20 1ssf s LYS 102 Cb -0.15 -3.52 0.05 0.00 -1.01 0.00 0.00 37.83 33.20 1ssf s LYS 102 CO 0.09 0.01 0.33 -1.58 0.51 0.00 0.00 175.35 174.70 1ssf s TRP 103 N 1.16 3.25 -0.02 3.18 0.52 -1.26 -0.84 118.94 124.94 1ssf s TRP 103 Ca 0.19 -0.86 0.04 0.00 0.02 0.00 0.00 56.10 55.49 1ssf s TRP 103 Cb -0.14 -2.86 -0.01 0.00 -1.15 0.00 0.00 33.47 29.31 1ssf s TRP 103 CO 0.07 -0.71 -0.14 0.71 0.02 0.00 0.00 176.95 176.91 1ssf s TYR 104 N 1.63 1.26 0.53 -1.98 2.02 -0.11 -4.89 117.35 115.81 1ssf s TYR 104 Ca 0.04 -0.27 -0.22 0.00 -0.37 0.00 0.00 57.07 56.25 1ssf s TYR 104 Cb -0.22 -0.83 -0.06 0.00 -0.40 0.00 0.00 41.96 40.46 1ssf s TYR 104 CO 0.07 -0.05 1.37 0.15 -1.57 0.00 0.00 175.55 175.52 1ssf s LYS 105 N -0.19 3.26 0.18 -0.62 1.02 -1.19 -0.53 119.74 121.65 1ssf s LYS 105 Ca 0.03 2.27 0.09 0.00 0.02 0.00 0.00 55.97 58.38 1ssf s LYS 105 Cb -0.07 -2.34 0.63 0.00 -0.52 0.00 0.00 37.83 35.53 1ssf s LYS 105 CO -0.00 -1.11 0.80 0.54 -0.92 0.00 0.00 175.35 174.66 1ssf n ARG 106 N -0.85 -0.03 0.30 1.68 5.12 -1.26 -2.00 116.66 119.62 1ssf n ARG 106 Ca 0.09 0.71 0.18 0.00 -1.93 0.00 0.00 57.85 56.90 1ssf n ARG 106 Cb 0.44 -1.24 0.97 0.00 -1.16 0.00 0.00 32.46 31.47 1ssf n ARG 106 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ssf h MET 107 N 0.00 0.00 -0.01 5.56 -0.00 -1.90 -2.60 114.93 115.98 1ssf h MET 107 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.11 1ssf h MET 107 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.65 1ssf h MET 107 CO -0.40 0.03 -0.09 0.00 -0.00 0.00 0.00 176.91 176.44 1ssf n ALA 108 N -2.18 2.76 -3.84 -3.00 0.00 -0.85 -4.57 120.51 108.83 1ssf n ALA 108 Ca -0.02 -0.36 -0.30 0.00 0.00 0.00 0.00 53.44 52.76 1ssf n ALA 108 Cb 0.14 -1.24 -0.14 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.25 1.65 0.39 0.00 -7.23 -0.98 -0.27 120.40 111.71 1ssf s VAL 109 Ca 0.33 -2.25 0.06 0.00 -1.81 0.00 0.00 61.98 58.32 1ssf s VAL 109 Cb 0.20 -2.19 0.06 0.00 0.56 0.00 0.00 36.38 35.01 1ssf s VAL 109 CO 0.42 -0.73 0.51 2.30 -0.31 0.00 0.00 175.10 177.29 1ssf n ILE 110 N 4.08 0.00 -3.94 -0.62 -0.00 -0.16 -4.91 119.36 113.81 1ssf n ILE 110 Ca 0.03 -1.34 -0.09 0.00 -0.00 0.00 0.00 62.75 61.35 1ssf n ILE 110 Cb 0.38 -0.61 -0.07 0.00 -0.00 0.00 0.00 39.64 39.35 1ssf n ILE 110 CO 0.00 0.00 0.00 -1.48 -0.00 0.00 0.00 176.55 175.07 1ssf s LEU 111 N 0.00 1.07 0.34 7.28 0.05 -1.12 -1.63 118.68 124.67 1ssf s LEU 111 Ca 0.39 -0.83 0.07 0.00 0.05 0.00 0.00 54.13 53.81 1ssf s LEU 111 Cb -0.03 1.14 -0.02 0.00 -2.05 0.00 0.00 46.19 45.23 1ssf s LEU 111 CO 0.25 -0.85 0.36 -0.55 -0.55 0.00 0.00 176.35 175.00 1ssf s SER 112 N -2.95 5.49 0.12 1.48 0.15 -1.26 -0.72 113.70 116.01 1ssf s SER 112 Ca 0.15 -0.42 -0.20 0.00 0.70 0.00 0.00 55.95 56.17 1ssf s SER 112 Cb 0.04 -1.01 -0.06 0.00 -1.71 0.00 0.00 66.02 63.28 1ssf s SER 112 CO -0.02 -0.41 1.72 -0.07 1.20 0.00 0.00 173.24 175.66 1ssf h LEU 113 N 1.11 -0.07 -0.11 3.45 3.38 -1.36 -3.06 115.31 118.65 1ssf h LEU 113 Ca -0.45 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1ssf h LEU 113 Cb 1.26 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1ssf h LEU 113 CO 0.56 -0.01 0.00 -0.62 0.09 0.00 0.00 178.44 178.46 1ssf n GLU 114 N -5.13 0.02 0.08 1.13 1.02 -1.26 0.91 120.64 117.41 1ssf n GLU 114 Ca -0.03 0.34 -0.08 0.00 -0.02 0.00 0.00 57.16 57.36 1ssf n GLU 114 Cb 0.09 -1.55 -0.07 0.00 -0.02 0.00 0.00 31.44 29.90 1ssf n GLU 114 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ssf h GLN 115 N 0.00 0.06 0.08 3.49 4.20 -1.96 -3.19 115.11 117.79 1ssf h GLN 115 Ca 0.00 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1ssf h GLN 115 Cb 0.20 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1ssf h GLN 115 CO 0.00 0.97 -0.04 0.78 -0.67 0.00 0.00 178.83 179.87 1ssf h GLY 116 N 2.50 -0.12 2.00 3.46 0.00 -0.29 -3.33 103.07 107.29 1ssf h GLY 116 Ca -0.03 0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 1ssf h GLY 116 CO 0.13 -0.04 -0.27 3.43 0.00 0.00 0.00 176.54 179.79 1ssf h ASN 117 N -0.96 0.00 0.22 0.19 -0.26 0.35 0.42 115.58 115.55 1ssf h ASN 117 Ca -0.01 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.62 1ssf h ASN 117 Cb 0.49 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.73 1ssf h ASN 117 CO 0.02 0.27 -0.40 0.08 -1.06 0.00 0.00 177.43 176.34 1ssf h ARG 118 N 0.00 0.24 0.11 0.81 0.11 -1.71 -3.20 114.38 110.74 1ssf h ARG 118 Ca -0.00 -0.11 -0.34 0.00 0.10 0.00 0.00 59.98 59.63 1ssf h ARG 118 Cb 0.59 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.65 1ssf h ARG 118 CO 0.04 0.60 -1.85 1.25 0.10 0.00 0.00 179.97 180.11 1ssf h LEU 119 N 0.20 0.36 -0.83 0.08 6.46 -1.61 -3.44 115.31 116.53 1ssf h LEU 119 Ca 0.02 -0.88 0.35 0.00 -0.12 0.00 0.00 57.88 57.24 1ssf h LEU 119 Cb 0.79 -0.12 -0.15 0.00 -0.73 0.00 0.00 40.66 40.46 1ssf h LEU 119 CO 0.06 1.79 0.44 -2.11 -0.62 0.00 0.00 178.44 178.00 1ssf n ARG 120 N -3.66 -0.05 0.07 1.25 -4.01 0.15 0.00 116.66 110.41 1ssf n ARG 120 Ca -0.31 1.15 0.11 0.00 -1.04 0.00 0.00 57.85 57.76 1ssf n ARG 120 Cb 0.99 -2.05 0.01 0.00 -3.04 0.00 0.00 32.46 28.37 1ssf n ARG 120 CO 0.00 0.00 0.00 -0.85 -3.04 0.00 0.00 177.63 173.74 1ssf n GLU 121 N -4.88 0.49 -0.12 2.89 0.28 -1.26 -1.50 120.64 116.54 1ssf n GLU 121 Ca 0.31 0.05 -0.21 0.00 -0.16 0.00 0.00 57.16 57.15 1ssf n GLU 121 Cb 1.06 -1.72 -0.09 0.00 1.43 0.00 0.00 31.44 32.12 1ssf n GLU 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ssf n GLN 122 N -2.39 0.52 -0.04 3.44 10.64 0.92 -4.92 117.38 125.56 1ssf n GLN 122 Ca 0.00 0.18 0.00 0.00 -1.83 0.00 0.00 57.00 55.36 1ssf n GLN 122 Cb 0.51 -1.38 0.01 0.00 -0.86 0.00 0.00 30.24 28.52 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 -3.68 0.00 0.00 2.61 4.01 0.10 -5.07 117.16 115.13 1ssf n TYR 123 Ca -0.43 -0.24 0.00 0.00 -0.16 0.00 0.00 57.90 57.06 1ssf n TYR 123 Cb 0.87 -0.03 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 -0.26 -1.81 0.20 2.72 0.00 -1.26 -4.66 105.19 100.12 1ssf n GLY 124 Ca 0.01 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -3.00 0.99 7.99 -1.24 -3.94 117.00 117.81 1ssf n LEU 125 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 56.01 56.04 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 0.55 -0.83 -1.51 0.00 0.00 177.39 175.60 1ssf s GLY 126 N -0.73 -1.14 0.03 -0.72 0.00 -0.56 -4.78 107.32 99.42 1ssf s GLY 126 Ca 0.00 1.94 0.05 0.00 0.00 0.00 0.00 44.72 46.71 1ssf s GLY 126 CO 0.00 4.24 0.93 -0.56 0.00 0.00 0.00 173.10 177.71 1ssf h PRO 127 N 6.47 0.08 -6.77 2.90 0.13 -1.83 -3.43 132.00 129.55 1ssf h PRO 127 Ca -0.08 -0.14 -0.69 0.00 -0.87 0.00 0.00 66.00 64.22 1ssf h PRO 127 Cb 1.20 0.05 -0.22 0.00 0.13 0.00 0.00 31.00 32.16 1ssf h PRO 127 CO -0.12 0.87 -0.84 -0.47 -0.23 0.00 0.00 178.00 177.21 1ssf s TYR 128 N -2.64 2.41 -2.74 1.56 5.04 -1.26 -4.90 117.35 114.82 1ssf s TYR 128 Ca -0.04 -0.34 0.22 0.00 -2.44 0.00 0.00 57.07 54.47 1ssf s TYR 128 Cb 0.08 -1.34 0.17 0.00 0.35 0.00 0.00 41.96 41.22 1ssf s TYR 128 CO 0.83 0.29 1.19 0.39 -1.34 0.00 0.00 175.55 176.91