#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssf h SER 8 N 0.00 0.00 0.07 6.41 4.64 -2.02 -3.34 113.55 119.32 1ssf h SER 8 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1ssf h SER 8 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1ssf h SER 8 CO 0.00 0.12 -2.19 0.49 -0.87 0.00 0.00 176.83 174.39 1ssf n PHE 9 N -3.04 0.12 0.24 4.77 3.72 -1.26 -4.62 117.46 117.39 1ssf n PHE 9 Ca 0.02 0.04 0.09 0.00 -0.05 0.00 0.00 57.45 57.56 1ssf n PHE 9 Cb 0.59 -0.89 0.50 0.00 -0.94 0.00 0.00 39.48 38.74 1ssf n PHE 9 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1ssf h VAL 10 N 0.00 0.00 -0.28 -4.37 2.07 -1.78 -1.07 116.25 110.83 1ssf h VAL 10 Ca -0.37 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 66.93 1ssf h VAL 10 Cb 1.88 0.41 -0.39 0.00 -1.52 0.00 0.00 31.29 31.66 1ssf h VAL 10 CO 0.03 0.00 -1.09 0.61 0.02 0.00 0.00 177.57 177.14 1ssf n GLY 11 N -1.27 1.51 3.87 2.17 0.00 -1.24 -4.15 105.19 106.08 1ssf n GLY 11 Ca -0.01 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.48 2.63 -0.14 0.99 2.96 -0.41 -4.93 118.68 117.31 1ssf s LEU 12 Ca 0.29 1.00 -0.05 0.00 -0.22 0.00 0.00 54.13 55.16 1ssf s LEU 12 Cb 0.34 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.38 1ssf s LEU 12 CO -0.09 -1.74 0.02 -0.13 -1.32 0.00 0.00 176.35 173.10 1ssf s ARG 13 N -5.41 3.55 0.13 1.98 1.81 -1.23 -2.61 118.95 117.15 1ssf s ARG 13 Ca 0.60 -0.39 0.08 0.00 -1.72 0.00 0.00 55.73 54.30 1ssf s ARG 13 Cb -0.12 -3.01 -0.04 0.00 -0.45 0.00 0.00 34.95 31.34 1ssf s ARG 13 CO 0.51 0.44 -0.18 0.14 -0.68 0.00 0.00 175.30 175.53 1ssf s VAL 14 N -0.15 1.64 -0.00 3.52 -7.23 -0.07 0.40 120.40 118.50 1ssf s VAL 14 Ca 0.06 -1.70 0.07 0.00 -1.81 0.00 0.00 61.98 58.59 1ssf s VAL 14 Cb -0.12 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 1ssf s VAL 14 CO 0.02 -0.23 -0.21 0.68 -0.31 0.00 0.00 175.10 175.05 1ssf s VAL 15 N -1.68 2.55 -0.31 1.32 -7.23 -0.49 -0.74 120.40 113.81 1ssf s VAL 15 Ca 0.10 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 1ssf s VAL 15 Cb -0.07 -1.99 0.07 0.00 0.56 0.00 0.00 36.38 34.95 1ssf s VAL 15 CO 0.05 0.48 0.01 0.00 -0.31 0.00 0.00 175.10 175.33 1ssf s ALA 16 N -0.76 2.82 -0.34 1.32 0.00 0.24 -1.60 121.76 123.44 1ssf s ALA 16 Ca 0.12 -2.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.07 1ssf s ALA 16 Cb -0.10 -1.93 0.12 0.00 0.00 0.00 0.00 23.12 21.21 1ssf s ALA 16 CO 0.02 -1.40 0.18 -1.59 0.00 0.00 0.00 175.76 172.97 1ssf s LYS 17 N 1.14 0.58 -0.03 0.00 -2.85 -0.40 -0.74 119.74 117.45 1ssf s LYS 17 Ca -0.02 -1.19 -0.20 0.00 -1.00 0.00 0.00 55.97 53.57 1ssf s LYS 17 Cb -0.20 -1.50 -0.14 0.00 -2.06 0.00 0.00 37.83 33.94 1ssf s LYS 17 CO -0.04 -1.13 0.86 -1.49 0.10 0.00 0.00 175.35 173.66 1ssf h TRP 18 N 7.46 -0.35 -3.70 1.78 4.06 -1.96 -3.37 115.95 119.88 1ssf h TRP 18 Ca -0.04 -0.01 -0.68 0.00 2.06 0.00 0.00 58.89 60.22 1ssf h TRP 18 Cb 0.98 0.11 -0.27 0.00 -1.00 0.00 0.00 29.16 28.98 1ssf h TRP 18 CO 0.40 -0.01 -0.80 -1.54 -3.56 0.00 0.00 178.44 172.93 1ssf s SER 19 N -5.21 3.76 -0.30 -3.49 1.04 -1.26 -4.93 113.70 103.32 1ssf s SER 19 Ca -0.11 -0.34 -0.28 0.00 0.48 0.00 0.00 55.95 55.69 1ssf s SER 19 Cb 0.01 -1.19 -0.02 0.00 0.10 0.00 0.00 66.02 64.91 1ssf s SER 19 CO 0.41 0.24 1.87 -0.44 0.98 0.00 0.00 173.24 176.30 1ssf s SER 20 N -0.11 5.84 0.02 7.02 0.01 -1.26 -4.90 113.70 120.32 1ssf s SER 20 Ca -0.03 1.44 0.22 0.00 1.31 0.00 0.00 55.95 58.89 1ssf s SER 20 Cb -0.14 -2.52 -0.24 0.00 0.21 0.00 0.00 66.02 63.32 1ssf s SER 20 CO 0.04 -1.72 0.61 0.59 0.41 0.00 0.00 173.24 173.16 1ssf n ASN 21 N 10.41 0.24 0.00 2.44 5.03 -1.26 -4.93 115.26 127.19 1ssf n ASN 21 Ca 0.24 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.78 1ssf n ASN 21 Cb 0.46 1.49 0.00 0.00 -1.02 0.00 0.00 39.78 40.71 1ssf n ASN 21 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ssf n GLY 22 N 1.28 2.54 3.12 7.41 0.00 -1.26 -5.07 105.19 113.21 1ssf n GLY 22 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.44 0.73 0.11 1.61 -0.85 -1.26 -0.54 117.35 114.71 1ssf s TYR 23 Ca 0.00 -0.88 0.10 0.00 -0.52 0.00 0.00 57.07 55.77 1ssf s TYR 23 Cb 0.00 -0.45 -0.04 0.00 0.38 0.00 0.00 41.96 41.85 1ssf s TYR 23 CO 0.00 -0.20 -0.23 -0.06 -1.52 0.00 0.00 175.55 173.54 1ssf s PHE 24 N -3.28 2.42 0.39 -3.49 0.08 0.59 -4.87 117.98 109.82 1ssf s PHE 24 Ca 0.06 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.80 1ssf s PHE 24 Cb 0.03 -1.32 0.07 0.00 -0.57 0.00 0.00 43.02 41.23 1ssf s PHE 24 CO -0.05 0.33 0.53 0.66 -0.10 0.00 0.00 175.22 176.59 1ssf n TYR 25 N 1.01 -3.01 -4.36 0.36 4.01 0.08 -2.80 117.16 112.46 1ssf n TYR 25 Ca -0.17 -1.03 -0.24 0.00 -0.16 0.00 0.00 57.90 56.30 1ssf n TYR 25 Cb 0.53 -0.38 -0.13 0.00 -0.31 0.00 0.00 39.34 39.04 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 -3.21 2.45 0.16 7.72 0.15 -1.26 -0.59 113.70 119.12 1ssf s SER 26 Ca 0.36 -0.64 -0.00 0.00 0.70 0.00 0.00 55.95 56.37 1ssf s SER 26 Cb -0.02 -0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.10 1ssf s SER 26 CO 0.24 0.07 0.07 -0.83 1.20 0.00 0.00 173.24 173.99 1ssf s GLY 27 N -1.71 1.19 -0.01 9.45 0.00 0.08 -0.80 107.32 115.52 1ssf s GLY 27 Ca 0.06 -1.57 0.02 0.00 0.00 0.00 0.00 44.72 43.22 1ssf s GLY 27 CO 0.03 -1.41 -0.05 -1.59 0.00 0.00 0.00 173.10 170.08 1ssf s LYS 28 N -4.06 0.54 0.05 2.90 -2.85 0.28 -0.89 119.74 115.71 1ssf s LYS 28 Ca 0.29 -0.17 0.03 0.00 -1.00 0.00 0.00 55.97 55.12 1ssf s LYS 28 Cb 0.07 -0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 35.26 1ssf s LYS 28 CO 0.05 0.06 0.03 -1.50 0.10 0.00 0.00 175.35 174.10 1ssf s ILE 29 N 0.18 4.28 -0.11 3.79 -1.16 -1.07 -0.79 121.20 126.32 1ssf s ILE 29 Ca -0.02 -0.74 0.02 0.00 -0.51 0.00 0.00 60.65 59.40 1ssf s ILE 29 Cb -0.06 -2.99 -0.08 0.00 0.61 0.00 0.00 42.46 39.94 1ssf s ILE 29 CO -0.00 0.23 -0.08 0.35 -2.81 0.00 0.00 174.94 172.63 1ssf n THR 30 N 0.88 0.62 -3.95 4.00 -2.24 -0.63 -3.72 114.28 109.24 1ssf n THR 30 Ca -0.12 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.32 1ssf n THR 30 Cb 0.52 -0.87 -0.09 0.00 -2.10 0.00 0.00 70.33 67.79 1ssf n THR 30 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ssf s ARG 31 N -2.22 0.60 -0.18 -0.78 0.52 -1.01 -4.43 118.95 111.45 1ssf s ARG 31 Ca -0.13 -0.82 -0.14 0.00 -0.52 0.00 0.00 55.73 54.12 1ssf s ARG 31 Cb 0.04 0.23 -0.04 0.00 0.52 0.00 0.00 34.95 35.69 1ssf s ARG 31 CO 0.26 -0.15 0.30 0.34 0.02 0.00 0.00 175.30 176.08 1ssf s ASP 32 N -2.25 6.39 -0.11 0.23 2.15 -1.26 -1.12 116.67 120.69 1ssf s ASP 32 Ca -0.03 0.46 -0.03 0.00 0.43 0.00 0.00 52.55 53.37 1ssf s ASP 32 Cb 0.00 -2.18 -0.03 0.00 -0.30 0.00 0.00 42.92 40.40 1ssf s ASP 32 CO -0.06 0.05 0.01 0.68 -0.17 0.00 0.00 175.17 175.68 1ssf s VAL 33 N 0.77 4.36 0.00 1.11 -7.23 -1.18 -4.88 120.40 113.35 1ssf s VAL 33 Ca 0.16 -0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.12 1ssf s VAL 33 Cb -0.13 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 33.93 1ssf s VAL 33 CO 0.05 0.56 0.00 0.61 -0.31 0.00 0.00 175.10 176.01 1ssf n GLY 34 N 2.60 1.29 3.37 2.32 0.00 -1.26 -2.38 105.19 111.13 1ssf n GLY 34 Ca -0.18 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.62 3.23 0.00 4.61 0.00 -1.26 -4.52 121.76 123.20 1ssf s ALA 35 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.33 1ssf s ALA 35 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.65 1ssf s ALA 35 CO 0.00 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 174.94 1ssf n GLY 36 N 4.96 0.48 3.82 0.00 0.00 -1.26 -4.91 105.19 108.27 1ssf n GLY 36 Ca -0.13 0.00 -0.22 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 -0.14 2.69 -0.01 1.61 -2.85 -1.00 0.05 119.74 120.09 1ssf s LYS 37 Ca 0.00 -1.29 0.01 0.00 -1.00 0.00 0.00 55.97 53.68 1ssf s LYS 37 Cb 0.00 -2.44 0.01 0.00 -2.06 0.00 0.00 37.83 33.34 1ssf s LYS 37 CO 0.00 0.16 -0.01 0.71 0.10 0.00 0.00 175.35 176.30 1ssf s TYR 38 N -2.29 0.26 -0.42 1.78 2.02 -0.92 -3.11 117.35 114.67 1ssf s TYR 38 Ca 0.39 -0.02 -0.08 0.00 -0.37 0.00 0.00 57.07 56.99 1ssf s TYR 38 Cb -0.06 -0.26 0.09 0.00 -0.40 0.00 0.00 41.96 41.33 1ssf s TYR 38 CO 0.25 -0.06 0.26 0.21 -1.57 0.00 0.00 175.55 174.64 1ssf s LYS 39 N 0.43 2.46 0.19 -0.62 2.47 -0.28 -2.11 119.74 122.28 1ssf s LYS 39 Ca -0.04 -1.59 0.01 0.00 -1.56 0.00 0.00 55.97 52.79 1ssf s LYS 39 Cb -0.07 -3.75 -0.05 0.00 -1.46 0.00 0.00 37.83 32.50 1ssf s LYS 39 CO -0.01 -1.02 0.03 -0.48 0.16 0.00 0.00 175.35 174.03 1ssf s LEU 40 N 1.35 1.96 0.10 5.43 -0.00 -0.80 -1.61 118.68 125.11 1ssf s LEU 40 Ca 0.04 -1.23 0.06 0.00 -0.00 0.00 0.00 54.13 53.00 1ssf s LEU 40 Cb -0.24 -0.00 -0.03 0.00 -0.00 0.00 0.00 46.19 45.92 1ssf s LEU 40 CO 0.00 -0.62 -0.15 -0.22 -0.00 0.00 0.00 176.35 175.36 1ssf s LEU 41 N -3.19 2.34 0.94 1.48 0.20 0.03 -1.87 118.68 118.60 1ssf s LEU 41 Ca 0.27 -0.71 -0.12 0.00 0.69 0.00 0.00 54.13 54.26 1ssf s LEU 41 Cb 0.07 -0.58 0.15 0.00 -0.43 0.00 0.00 46.19 45.40 1ssf s LEU 41 CO 0.06 -0.09 1.11 -0.36 -0.29 0.00 0.00 176.35 176.78 1ssf s PHE 42 N -1.65 2.35 -1.48 5.38 0.40 -0.03 -0.55 117.98 122.40 1ssf s PHE 42 Ca 0.04 0.97 0.13 0.00 -0.60 0.00 0.00 56.93 57.47 1ssf s PHE 42 Cb -0.08 -3.29 0.66 0.00 0.51 0.00 0.00 43.02 40.82 1ssf s PHE 42 CO 0.03 -2.54 1.32 -3.47 0.70 0.00 0.00 175.22 171.26 1ssf n ASP 43 N -3.92 0.00 -0.10 1.36 2.03 0.02 -2.35 116.55 113.59 1ssf n ASP 43 Ca 0.06 0.06 0.04 0.00 0.52 0.00 0.00 54.79 55.47 1ssf n ASP 43 Cb 0.58 -0.26 0.05 0.00 -0.72 0.00 0.00 41.12 40.77 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 -1.26 1.60 0.00 1.67 5.68 -1.26 -4.91 116.55 118.07 1ssf n ASP 44 Ca 0.06 -2.30 0.00 0.00 -0.50 0.00 0.00 54.79 52.06 1ssf n ASP 44 Cb 0.10 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 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 -0.73 0.83 3.46 6.12 0.00 -0.99 -5.08 105.19 108.80 1ssf n GLY 45 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 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 2.99 0.12 1.61 5.04 -1.26 -4.80 117.35 119.05 1ssf s TYR 46 Ca 0.00 -0.44 -0.02 0.00 -2.44 0.00 0.00 57.07 54.17 1ssf s TYR 46 Cb 0.00 -3.66 -0.05 0.00 0.35 0.00 0.00 41.96 38.60 1ssf s TYR 46 CO 0.00 -1.11 0.31 -2.00 -1.34 0.00 0.00 175.55 171.41 1ssf s GLU 47 N 2.92 3.53 0.23 4.97 2.12 -1.26 -0.85 118.70 130.35 1ssf s GLU 47 Ca 0.18 -0.27 -0.21 0.00 0.36 0.00 0.00 54.97 55.03 1ssf s GLU 47 Cb -0.18 -2.92 0.07 0.00 0.26 0.00 0.00 34.13 31.36 1ssf s GLU 47 CO 0.13 0.51 0.97 0.00 -0.54 0.00 0.00 175.26 176.34 1ssf s ASP 49 N -3.29 2.35 0.12 0.00 1.11 -1.26 -1.90 116.67 113.81 1ssf s ASP 49 Ca 0.19 -0.38 -0.10 0.00 0.18 0.00 0.00 52.55 52.45 1ssf s ASP 49 Cb -0.03 -0.50 0.00 0.00 1.07 0.00 0.00 42.92 43.46 1ssf s ASP 49 CO 0.06 0.20 0.26 0.68 1.18 0.00 0.00 175.17 177.55 1ssf s VAL 50 N -0.19 0.11 0.05 -1.27 -7.23 -0.90 -5.02 120.40 105.95 1ssf s VAL 50 Ca 0.01 -1.16 -0.27 0.00 -1.81 0.00 0.00 61.98 58.75 1ssf s VAL 50 Cb -0.10 -1.48 -0.05 0.00 0.56 0.00 0.00 36.38 35.30 1ssf s VAL 50 CO 0.01 -0.48 0.86 -0.22 -0.31 0.00 0.00 175.10 174.96 1ssf s LEU 51 N -2.89 4.44 0.32 1.32 1.98 -1.26 -2.15 118.68 120.44 1ssf s LEU 51 Ca 0.09 1.57 0.07 0.00 -2.89 0.00 0.00 54.13 52.97 1ssf s LEU 51 Cb 0.04 -3.39 0.54 0.00 0.66 0.00 0.00 46.19 44.04 1ssf s LEU 51 CO -0.07 -0.06 1.77 1.23 -1.89 0.00 0.00 176.35 177.32 1ssf h GLY 52 N 5.90 0.29 0.14 7.98 0.00 -0.62 -3.03 103.07 113.72 1ssf h GLY 52 Ca -0.43 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1ssf h GLY 52 CO 0.72 0.22 0.00 0.58 0.00 0.00 0.00 176.54 178.06 1ssf n LYS 53 N -4.11 0.07 0.00 4.80 0.00 -1.26 -2.50 118.16 115.16 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 0.41 -1.07 0.00 0.00 -0.00 0.00 0.00 35.03 34.37 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 -0.57 0.00 -4.05 -5.58 8.00 -1.15 -4.96 116.55 108.24 1ssf n ASP 54 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 1ssf n ASP 54 Cb 0.00 -0.07 -0.14 0.00 -0.02 0.00 0.00 41.12 40.89 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 -0.69 2.49 0.10 0.53 -1.09 -1.04 -1.27 121.20 120.22 1ssf s ILE 55 Ca 0.00 -2.18 0.02 0.00 -2.23 0.00 0.00 60.65 56.25 1ssf s ILE 55 Cb 0.00 -2.76 -0.04 0.00 -1.58 0.00 0.00 42.46 38.08 1ssf s ILE 55 CO 0.00 -0.54 -0.07 -0.22 -1.23 0.00 0.00 174.94 172.88 1ssf s LEU 56 N 0.98 2.49 -0.62 2.97 0.20 -0.63 -4.53 118.68 119.55 1ssf s LEU 56 Ca 0.08 -0.96 -0.30 0.00 0.69 0.00 0.00 54.13 53.63 1ssf s LEU 56 Cb -0.20 -0.10 -0.13 0.00 -0.43 0.00 0.00 46.19 45.33 1ssf s LEU 56 CO -0.07 -0.43 2.45 0.00 -0.29 0.00 0.00 176.35 178.01 1ssf n LEU 57 N 0.10 1.60 -4.59 -0.68 -0.00 -1.25 -1.40 117.00 110.78 1ssf n LEU 57 Ca -0.13 -0.03 -0.27 0.00 -0.00 0.00 0.00 56.01 55.57 1ssf n LEU 57 Cb 0.60 -1.28 -0.09 0.00 -0.00 0.00 0.00 43.42 42.65 1ssf n LEU 57 CO 0.29 -1.07 -0.24 0.00 -0.00 0.00 0.00 177.39 176.38 1ssf h ASP 59 N 1.71 0.51 0.00 0.00 1.82 -1.85 -3.27 116.42 115.34 1ssf h ASP 59 Ca -0.40 -0.94 0.00 0.00 -0.39 0.00 0.00 57.03 55.30 1ssf h ASP 59 Cb 1.28 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.12 1ssf h ASP 59 CO 0.68 1.45 0.00 -0.81 -1.61 0.00 0.00 179.24 178.95 1ssf n PRO 60 N -4.06 0.00 -4.36 0.28 -0.04 -1.26 -4.83 135.00 120.73 1ssf n PRO 60 Ca -0.15 0.31 -0.26 0.00 -0.04 0.00 0.00 63.50 63.35 1ssf n PRO 60 Cb 0.86 -1.24 -0.10 0.00 -0.04 0.00 0.00 33.50 32.99 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 -1.94 2.81 -0.14 0.52 -1.09 -1.26 -5.04 121.20 115.07 1ssf s ILE 61 Ca 0.00 -1.91 -0.35 0.00 -2.23 0.00 0.00 60.65 56.16 1ssf s ILE 61 Cb 0.00 -2.40 -0.12 0.00 -1.58 0.00 0.00 42.46 38.36 1ssf s ILE 61 CO 0.00 -0.17 1.89 -2.65 -1.23 0.00 0.00 174.94 172.79 1ssf n PRO 62 N -0.03 1.97 0.00 2.79 -0.02 -1.26 -4.83 135.00 133.62 1ssf n PRO 62 Ca -0.10 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1ssf n PRO 62 Cb 0.56 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 6.82 0.00 -0.23 2.45 4.32 -1.26 -0.26 117.00 128.84 1ssf n LEU 63 Ca 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.24 1ssf n LEU 63 Cb 0.27 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.08 1ssf n LEU 63 CO 0.74 0.00 0.27 0.47 -1.22 0.00 0.00 177.39 177.65 1ssf n ASP 64 N -0.00 0.14 -4.21 -1.43 8.00 -0.89 -4.23 116.55 113.93 1ssf n ASP 64 Ca 0.00 -1.56 -0.34 0.00 0.71 0.00 0.00 54.79 53.60 1ssf n ASP 64 Cb 0.00 -0.10 -0.15 0.00 -0.02 0.00 0.00 41.12 40.85 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 -0.13 2.84 -0.73 -3.53 2.01 0.64 -4.92 115.64 111.83 1ssf s THR 65 Ca 0.01 -0.89 -0.26 0.00 0.31 0.00 0.00 61.69 60.86 1ssf s THR 65 Cb 0.01 -2.37 -0.08 0.00 0.01 0.00 0.00 72.50 70.07 1ssf s THR 65 CO 0.00 0.31 2.18 -0.70 -0.69 0.00 0.00 174.62 175.72 1ssf s GLU 66 N 1.35 2.16 0.48 4.92 2.56 -1.26 -0.44 118.70 128.48 1ssf s GLU 66 Ca 0.02 0.48 0.08 0.00 0.00 0.00 0.00 54.97 55.55 1ssf s GLU 66 Cb -0.15 -4.75 0.02 0.00 2.00 0.00 0.00 34.13 31.25 1ssf s GLU 66 CO -0.06 -3.59 0.55 0.08 -0.56 0.00 0.00 175.26 171.68 1ssf s VAL 67 N 11.89 2.48 0.11 3.70 1.01 0.57 -4.79 120.40 135.37 1ssf s VAL 67 Ca 0.83 -1.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 1ssf s VAL 67 Cb -0.12 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 1ssf s VAL 67 CO 0.12 0.00 0.39 0.28 0.00 0.00 0.00 175.10 175.89 1ssf s THR 68 N -2.53 5.12 -0.10 3.92 -1.32 -1.00 -0.59 115.64 119.14 1ssf s THR 68 Ca 0.52 0.28 -0.03 0.00 -1.21 0.00 0.00 61.69 61.25 1ssf s THR 68 Cb -0.06 -3.63 -0.03 0.00 -1.51 0.00 0.00 72.50 67.27 1ssf s THR 68 CO 0.31 0.18 0.02 0.00 -2.21 0.00 0.00 174.62 172.92 1ssf s ALA 69 N -1.52 3.33 -0.36 11.08 0.00 -0.53 -1.38 121.76 132.39 1ssf s ALA 69 Ca 0.37 -0.79 -0.22 0.00 0.00 0.00 0.00 51.96 51.32 1ssf s ALA 69 Cb -0.13 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.42 1ssf s ALA 69 CO 0.20 0.53 0.70 -1.17 0.00 0.00 0.00 175.76 176.03 1ssf s LEU 70 N -0.70 4.20 0.18 0.00 1.98 0.62 -3.78 118.68 121.19 1ssf s LEU 70 Ca 0.11 0.25 -0.00 0.00 -2.89 0.00 0.00 54.13 51.60 1ssf s LEU 70 Cb -0.12 -2.89 -0.04 0.00 0.66 0.00 0.00 46.19 43.80 1ssf s LEU 70 CO 0.02 -0.65 0.08 -0.44 -1.89 0.00 0.00 176.35 173.47 1ssf s SER 71 N 1.80 0.60 0.90 3.68 0.01 -1.26 -4.92 113.70 114.51 1ssf s SER 71 Ca 0.28 -1.29 -0.23 0.00 1.31 0.00 0.00 55.95 56.01 1ssf s SER 71 Cb -0.14 0.26 -0.16 0.00 0.21 0.00 0.00 66.02 66.19 1ssf s SER 71 CO 0.16 -0.73 -1.28 -1.84 0.41 0.00 0.00 173.24 169.95 1ssf n GLU 72 N -0.25 0.00 -0.21 12.44 0.00 -1.26 -3.82 120.64 127.54 1ssf n GLU 72 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 57.14 1ssf n GLU 72 Cb 0.65 -0.98 0.08 0.00 0.00 0.00 0.00 31.44 31.19 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 -1.14 -0.49 -0.36 -1.84 3.32 -2.03 0.27 116.42 114.15 1ssf h ASP 73 Ca -0.32 0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1ssf h ASP 73 Cb 1.14 0.36 0.00 0.00 0.22 0.00 0.00 39.33 41.05 1ssf h ASP 73 CO 0.17 -0.18 0.00 -1.84 -1.72 0.00 0.00 179.24 175.67 1ssf n GLU 74 N -5.39 2.92 -0.01 3.56 0.28 -1.26 -4.60 120.64 116.14 1ssf n GLU 74 Ca 0.08 -2.26 -0.01 0.00 -0.16 0.00 0.00 57.16 54.81 1ssf n GLU 74 Cb 0.34 -1.41 -0.01 0.00 1.43 0.00 0.00 31.44 31.78 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 0.40 0.00 -1.66 -1.84 4.02 -0.94 -5.04 117.16 112.10 1ssf n TYR 75 Ca 0.15 0.00 -0.48 0.00 -0.01 0.00 0.00 57.90 57.55 1ssf n TYR 75 Cb 0.54 -0.09 -0.05 0.00 -0.02 0.00 0.00 39.34 39.72 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 -2.12 2.15 -4.08 -0.72 1.16 0.92 -4.84 117.46 109.92 1ssf n PHE 76 Ca -0.03 0.28 -0.09 0.00 -1.87 0.00 0.00 57.45 55.74 1ssf n PHE 76 Cb 0.56 -2.53 -0.09 0.00 -1.61 0.00 0.00 39.48 35.80 1ssf n PHE 76 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1ssf s SER 77 N 1.75 0.32 0.17 5.98 0.15 -1.25 -5.02 113.70 115.81 1ssf s SER 77 Ca 0.84 -1.04 -0.21 0.00 0.70 0.00 0.00 55.95 56.24 1ssf s SER 77 Cb -0.75 0.29 -0.08 0.00 -1.71 0.00 0.00 66.02 63.76 1ssf s SER 77 CO 0.44 -0.71 0.69 0.00 1.20 0.00 0.00 173.24 174.87 1ssf s ALA 78 N -3.98 3.47 0.22 5.45 0.00 -1.26 -1.45 121.76 124.21 1ssf s ALA 78 Ca 0.16 0.17 -0.12 0.00 0.00 0.00 0.00 51.96 52.16 1ssf s ALA 78 Cb 0.07 -2.80 -0.00 0.00 0.00 0.00 0.00 23.12 20.39 1ssf s ALA 78 CO -0.04 0.34 0.44 0.20 0.00 0.00 0.00 175.76 176.70 1ssf s GLY 79 N -1.42 0.46 -0.27 0.00 0.00 0.24 -4.91 107.32 101.42 1ssf s GLY 79 Ca 0.38 -0.81 -0.10 0.00 0.00 0.00 0.00 44.72 44.19 1ssf s GLY 79 CO 0.22 -0.64 0.15 0.14 0.00 0.00 0.00 173.10 172.97 1ssf s VAL 80 N -3.99 4.99 -0.01 1.40 1.01 0.07 -0.31 120.40 123.55 1ssf s VAL 80 Ca 0.20 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 1ssf s VAL 80 Cb 0.00 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 1ssf s VAL 80 CO 0.06 0.27 1.43 0.54 0.00 0.00 0.00 175.10 177.39 1ssf s VAL 81 N 1.71 3.71 0.00 2.92 0.11 0.42 0.61 120.40 129.87 1ssf s VAL 81 Ca 0.07 1.06 0.00 0.00 -2.93 0.00 0.00 61.98 60.18 1ssf s VAL 81 Cb -0.16 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.01 1ssf s VAL 81 CO 0.09 -0.02 0.00 2.29 -3.33 0.00 0.00 175.10 174.13 1ssf n LYS 82 N 5.62 2.26 -3.64 1.54 2.85 -1.05 -2.10 118.16 123.64 1ssf n LYS 82 Ca 0.14 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.33 1ssf n LYS 82 Cb 0.43 -0.74 -0.07 0.00 -0.65 0.00 0.00 35.03 34.01 1ssf n LYS 82 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1ssf s GLY 83 N -1.66 -0.08 0.03 2.58 0.00 -1.24 -4.84 107.32 102.12 1ssf s GLY 83 Ca 0.00 2.87 -0.10 0.00 0.00 0.00 0.00 44.72 47.49 1ssf s GLY 83 CO 0.00 2.08 0.20 -2.38 0.00 0.00 0.00 173.10 173.00 1ssf s HIS 84 N 0.57 0.03 0.06 1.90 -3.43 -1.26 -1.89 115.29 111.27 1ssf s HIS 84 Ca -0.00 -0.20 0.02 0.00 -0.80 0.00 0.00 55.06 54.08 1ssf s HIS 84 Cb -0.05 -0.02 -0.03 0.00 -1.43 0.00 0.00 32.58 31.06 1ssf s HIS 84 CO -0.10 -0.41 -0.07 -0.98 -2.00 0.00 0.00 174.74 171.19 1ssf s ARG 85 N -2.26 0.63 -0.05 -0.38 1.70 -0.05 -5.02 118.95 113.51 1ssf s ARG 85 Ca -0.07 -0.97 -0.01 0.00 -0.47 0.00 0.00 55.73 54.21 1ssf s ARG 85 Cb -0.02 -0.23 0.03 0.00 -0.57 0.00 0.00 34.95 34.16 1ssf s ARG 85 CO -0.02 0.02 0.00 0.21 -1.08 0.00 0.00 175.30 174.43 1ssf s LYS 86 N -2.43 0.43 0.25 3.89 2.20 -1.26 -1.70 119.74 121.11 1ssf s LYS 86 Ca -0.02 0.11 0.10 0.00 -0.36 0.00 0.00 55.97 55.80 1ssf s LYS 86 Cb -0.04 -0.72 -0.05 0.00 -1.51 0.00 0.00 37.83 35.51 1ssf s LYS 86 CO -0.02 -0.22 -0.16 -2.00 -0.36 0.00 0.00 175.35 172.59 1ssf s GLU 87 N 1.55 1.52 -0.22 4.03 2.56 -0.03 -5.03 118.70 123.08 1ssf s GLU 87 Ca -0.02 -1.70 -0.16 0.00 0.00 0.00 0.00 54.97 53.10 1ssf s GLU 87 Cb -0.13 -1.44 -0.17 0.00 2.00 0.00 0.00 34.13 34.38 1ssf s GLU 87 CO -0.03 0.24 1.49 0.43 -0.56 0.00 0.00 175.26 176.83 1ssf n SER 88 N -0.52 1.33 0.00 -1.70 7.64 -1.26 -1.95 113.62 117.17 1ssf n SER 88 Ca -0.06 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.49 1ssf n SER 88 Cb 0.60 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 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 4.43 1.55 2.86 0.23 0.00 -1.26 -5.13 105.19 107.87 1ssf n GLY 89 Ca 0.30 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.12 0.17 -0.10 1.61 0.41 -0.82 -5.15 118.70 114.69 1ssf s GLU 90 Ca 0.00 0.01 0.02 0.00 -0.41 0.00 0.00 54.97 54.59 1ssf s GLU 90 Cb 0.00 -0.26 0.01 0.00 -1.78 0.00 0.00 34.13 32.10 1ssf s GLU 90 CO 0.00 -0.04 -0.15 -1.17 -0.49 0.00 0.00 175.26 173.41 1ssf s LEU 91 N 0.43 1.70 -0.15 1.80 1.98 -1.26 -0.85 118.68 122.32 1ssf s LEU 91 Ca -0.04 -0.40 -0.04 0.00 -2.89 0.00 0.00 54.13 50.76 1ssf s LEU 91 Cb -0.06 -1.03 0.07 0.00 0.66 0.00 0.00 46.19 45.83 1ssf s LEU 91 CO -0.01 0.02 0.20 -0.31 -1.89 0.00 0.00 176.35 174.36 1ssf s TYR 92 N 0.90 -0.23 -0.29 5.38 1.51 -0.69 -3.75 117.35 120.19 1ssf s TYR 92 Ca -0.09 0.42 -0.05 0.00 -1.01 0.00 0.00 57.07 56.34 1ssf s TYR 92 Cb -0.15 -0.31 0.02 0.00 -0.11 0.00 0.00 41.96 41.41 1ssf s TYR 92 CO 0.00 -0.45 0.05 0.71 -1.11 0.00 0.00 175.55 174.75 1ssf s TYR 93 N 2.31 3.14 -0.49 2.71 1.51 0.57 -0.87 117.35 126.24 1ssf s TYR 93 Ca 0.04 -1.18 -0.23 0.00 -1.01 0.00 0.00 57.07 54.69 1ssf s TYR 93 Cb -0.14 -2.20 0.03 0.00 -0.11 0.00 0.00 41.96 39.54 1ssf s TYR 93 CO -0.09 -0.63 0.84 -1.54 -1.11 0.00 0.00 175.55 173.02 1ssf s SER 94 N 1.44 6.39 -0.22 2.29 1.04 -0.79 -1.12 113.70 122.72 1ssf s SER 94 Ca 0.01 -0.21 -0.05 0.00 0.48 0.00 0.00 55.95 56.18 1ssf s SER 94 Cb -0.17 -2.40 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 1ssf s SER 94 CO 0.01 -1.03 -0.01 -0.63 0.98 0.00 0.00 173.24 172.55 1ssf s ILE 95 N 3.52 3.69 -0.42 -1.02 -1.09 -0.13 -2.51 121.20 123.24 1ssf s ILE 95 Ca 0.30 -0.39 -0.23 0.00 -2.23 0.00 0.00 60.65 58.10 1ssf s ILE 95 Cb -0.12 -2.69 0.02 0.00 -1.58 0.00 0.00 42.46 38.09 1ssf s ILE 95 CO 0.21 0.40 0.80 -0.70 -1.23 0.00 0.00 174.94 174.43 1ssf s GLU 96 N 1.43 3.54 -0.06 2.79 2.12 0.20 -0.03 118.70 128.69 1ssf s GLU 96 Ca 0.05 0.07 -0.03 0.00 0.36 0.00 0.00 54.97 55.43 1ssf s GLU 96 Cb -0.14 -3.89 0.04 0.00 0.26 0.00 0.00 34.13 30.39 1ssf s GLU 96 CO -0.01 -1.04 0.14 0.21 -0.54 0.00 0.00 175.26 174.03 1ssf s LYS 97 N 3.29 0.08 0.00 4.30 2.47 0.16 -0.75 119.74 129.28 1ssf s LYS 97 Ca 0.31 0.37 0.00 0.00 -1.56 0.00 0.00 55.97 55.09 1ssf s LYS 97 Cb -0.12 -0.19 0.00 0.00 -1.46 0.00 0.00 37.83 36.06 1ssf s LYS 97 CO 0.21 -0.17 0.00 -1.91 0.16 0.00 0.00 175.35 173.64 1ssf n GLU 98 N 4.24 -0.38 0.00 4.03 4.07 -1.26 -2.08 120.64 129.27 1ssf n GLU 98 Ca -0.26 0.09 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 1ssf n GLU 98 Cb 0.51 -3.81 0.00 0.00 -0.06 0.00 0.00 31.44 28.08 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 -1.58 1.21 3.34 8.31 0.00 -1.26 -5.11 105.19 110.10 1ssf n GLY 99 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.13 1.36 -0.19 1.61 1.03 -0.88 -5.12 119.66 117.33 1ssf s GLN 100 Ca 0.00 -1.68 -0.18 0.00 0.04 0.00 0.00 55.36 53.54 1ssf s GLN 100 Cb 0.00 -0.73 -0.03 0.00 0.03 0.00 0.00 33.01 32.27 1ssf s GLN 100 CO 0.00 -0.05 0.48 -0.98 -2.54 0.00 0.00 175.29 172.20 1ssf s ARG 101 N -3.82 4.20 -0.30 9.60 3.03 -1.26 0.37 118.95 130.76 1ssf s ARG 101 Ca 0.28 0.36 -0.14 0.00 2.03 0.00 0.00 55.73 58.25 1ssf s ARG 101 Cb 0.05 -3.55 -0.03 0.00 -1.03 0.00 0.00 34.95 30.39 1ssf s ARG 101 CO 0.09 -0.10 0.34 0.15 -1.13 0.00 0.00 175.30 174.65 1ssf s LYS 102 N 1.48 3.83 -0.50 3.89 1.02 0.95 -4.89 119.74 125.52 1ssf s LYS 102 Ca 0.23 -0.19 -0.17 0.00 0.02 0.00 0.00 55.97 55.85 1ssf s LYS 102 Cb -0.15 -3.71 0.07 0.00 -0.52 0.00 0.00 37.83 33.51 1ssf s LYS 102 CO 0.09 -0.36 0.52 -1.58 -0.92 0.00 0.00 175.35 173.10 1ssf s TRP 103 N 2.01 3.14 0.14 3.18 0.52 -1.26 -0.96 118.94 125.71 1ssf s TRP 103 Ca 0.13 -0.78 0.05 0.00 0.02 0.00 0.00 56.10 55.52 1ssf s TRP 103 Cb -0.16 -3.41 -0.04 0.00 -1.15 0.00 0.00 33.47 28.71 1ssf s TRP 103 CO 0.11 -0.94 0.06 0.71 0.02 0.00 0.00 176.95 176.91 1ssf s TYR 104 N 2.13 3.04 0.15 -1.98 2.02 -0.28 -4.90 117.35 117.54 1ssf s TYR 104 Ca 0.09 -0.04 -0.28 0.00 -0.37 0.00 0.00 57.07 56.48 1ssf s TYR 104 Cb -0.22 -1.50 -0.07 0.00 -0.40 0.00 0.00 41.96 39.76 1ssf s TYR 104 CO 0.09 0.51 0.87 0.15 -1.57 0.00 0.00 175.55 175.60 1ssf s LYS 105 N -2.78 4.68 0.31 -0.62 1.02 -1.25 -0.32 119.74 120.79 1ssf s LYS 105 Ca 0.29 1.32 0.28 0.00 0.02 0.00 0.00 55.97 57.88 1ssf s LYS 105 Cb -0.11 -3.31 0.98 0.00 -0.52 0.00 0.00 37.83 34.87 1ssf s LYS 105 CO 0.21 0.42 0.88 0.54 -0.92 0.00 0.00 175.35 176.48 1ssf n ARG 106 N 2.06 0.00 0.12 1.68 1.74 -1.26 -1.99 116.66 119.01 1ssf n ARG 106 Ca -0.02 0.61 0.10 0.00 -0.77 0.00 0.00 57.85 57.77 1ssf n ARG 106 Cb 0.49 -1.41 0.47 0.00 -1.02 0.00 0.00 32.46 30.98 1ssf n ARG 106 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ssf n MET 107 N -3.08 0.15 -0.33 5.56 0.00 -1.26 -2.44 117.12 115.72 1ssf n MET 107 Ca 0.25 0.46 0.11 0.00 0.00 0.00 0.00 57.70 58.52 1ssf n MET 107 Cb 1.14 -1.83 0.29 0.00 0.00 0.00 0.00 33.22 32.82 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 -1.73 2.33 -3.82 3.17 0.00 -0.84 -4.79 120.51 114.83 1ssf n ALA 108 Ca 0.01 -1.27 -0.29 0.00 0.00 0.00 0.00 53.44 51.89 1ssf n ALA 108 Cb 0.16 -0.82 -0.17 0.00 0.00 0.00 0.00 19.45 18.62 1ssf n ALA 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ssf s VAL 109 N -1.00 1.54 0.25 0.00 0.11 -1.02 -0.28 120.40 120.00 1ssf s VAL 109 Ca 0.44 -0.64 0.03 0.00 -2.93 0.00 0.00 61.98 58.88 1ssf s VAL 109 Cb 0.23 -1.42 -0.01 0.00 -1.53 0.00 0.00 36.38 33.64 1ssf s VAL 109 CO 0.30 0.45 0.12 2.30 -3.33 0.00 0.00 175.10 174.93 1ssf n ILE 110 N 4.47 0.00 -3.80 7.04 -0.00 -0.48 -4.78 119.36 121.81 1ssf n ILE 110 Ca -0.18 -1.54 -0.12 0.00 -0.00 0.00 0.00 62.75 60.91 1ssf n ILE 110 Cb 0.51 0.61 -0.09 0.00 -0.00 0.00 0.00 39.64 40.67 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 1.08 0.68 7.28 0.05 -1.12 -2.38 118.68 124.27 1ssf s LEU 111 Ca 0.16 -0.06 -0.05 0.00 0.05 0.00 0.00 54.13 54.23 1ssf s LEU 111 Cb 0.01 1.10 0.06 0.00 -2.05 0.00 0.00 46.19 45.31 1ssf s LEU 111 CO 0.12 -0.46 0.97 -0.94 -0.55 0.00 0.00 176.35 175.49 1ssf s SER 112 N -1.50 4.85 0.15 1.48 1.04 -1.26 -0.30 113.70 118.17 1ssf s SER 112 Ca -0.12 0.33 -0.12 0.00 0.48 0.00 0.00 55.95 56.52 1ssf s SER 112 Cb -0.05 -1.00 0.02 0.00 0.10 0.00 0.00 66.02 65.09 1ssf s SER 112 CO 0.02 -1.54 1.60 -0.07 0.98 0.00 0.00 173.24 174.23 1ssf h LEU 113 N -0.48 0.88 -0.06 2.42 3.38 -1.19 -1.71 115.31 118.55 1ssf h LEU 113 Ca -0.44 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1ssf h LEU 113 Cb 1.31 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1ssf h LEU 113 CO 0.58 0.98 0.00 -0.62 0.09 0.00 0.00 178.44 179.47 1ssf n GLU 114 N -4.30 0.01 -0.01 1.13 1.02 -1.26 0.18 120.64 117.41 1ssf n GLU 114 Ca 0.01 0.30 -0.17 0.00 -0.02 0.00 0.00 57.16 57.28 1ssf n GLU 114 Cb 0.32 -1.53 -0.13 0.00 -0.02 0.00 0.00 31.44 30.09 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 0.19 -0.03 3.49 7.50 -1.91 -3.30 115.11 121.05 1ssf h GLN 115 Ca 0.00 -0.27 -0.06 0.00 0.50 0.00 0.00 58.65 58.82 1ssf h GLN 115 Cb 0.22 0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.85 1ssf h GLN 115 CO 0.00 1.06 -0.21 0.78 -1.50 0.00 0.00 178.83 178.96 1ssf h GLY 116 N -0.55 0.22 2.00 3.46 0.00 -0.32 -3.34 103.07 104.55 1ssf h GLY 116 Ca -0.06 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 1ssf h GLY 116 CO 0.08 0.29 -0.47 3.43 0.00 0.00 0.00 176.54 179.86 1ssf h ASN 117 N -0.39 0.00 0.10 0.19 -0.26 0.17 0.06 115.58 115.45 1ssf h ASN 117 Ca -0.02 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.64 1ssf h ASN 117 Cb 0.89 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.13 1ssf h ASN 117 CO 0.04 0.47 -0.28 0.08 -1.06 0.00 0.00 177.43 176.68 1ssf h ARG 118 N 0.00 0.30 0.22 0.81 0.11 -1.72 -3.10 114.38 111.00 1ssf h ARG 118 Ca -0.00 -0.11 -0.34 0.00 0.10 0.00 0.00 59.98 59.62 1ssf h ARG 118 Cb 1.26 -0.02 0.03 0.00 1.11 0.00 0.00 29.97 32.35 1ssf h ARG 118 CO 0.06 0.56 -1.60 1.25 0.10 0.00 0.00 179.97 180.34 1ssf h LEU 119 N 0.26 0.74 -1.77 0.08 6.46 -1.65 -3.42 115.31 116.01 1ssf h LEU 119 Ca 0.04 -0.91 0.21 0.00 -0.12 0.00 0.00 57.88 57.10 1ssf h LEU 119 Cb 0.64 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.30 1ssf h LEU 119 CO 0.05 1.74 0.72 0.08 -0.62 0.00 0.00 178.44 180.41 1ssf h ARG 120 N 0.13 0.00 0.00 1.25 0.11 -0.89 0.27 114.38 115.25 1ssf h ARG 120 Ca -0.30 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.48 1ssf h ARG 120 Cb 2.14 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 33.17 1ssf h ARG 120 CO 0.23 0.00 -1.95 -0.85 0.10 0.00 0.00 179.97 177.51 1ssf n GLU 121 N -3.71 0.65 -0.12 0.08 0.28 -1.26 -2.04 120.64 114.51 1ssf n GLU 121 Ca 0.15 0.17 -0.20 0.00 -0.16 0.00 0.00 57.16 57.12 1ssf n GLU 121 Cb 0.98 -1.69 -0.10 0.00 1.43 0.00 0.00 31.44 32.06 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 -2.90 0.57 0.00 3.44 10.64 0.25 -4.91 117.38 124.48 1ssf n GLN 122 Ca -0.22 0.17 0.00 0.00 -1.83 0.00 0.00 57.00 55.12 1ssf n GLN 122 Cb 1.06 -1.45 0.00 0.00 -0.86 0.00 0.00 30.24 28.99 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 -3.51 0.00 0.00 2.61 4.01 0.70 -5.06 117.16 115.91 1ssf n TYR 123 Ca -0.45 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.15 1ssf n TYR 123 Cb 0.92 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.93 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 -0.14 -1.88 0.18 2.72 0.00 -1.25 -4.61 105.19 100.21 1ssf n GLY 124 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 -3.15 0.99 7.99 -1.25 -3.85 117.00 117.73 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 0.49 -0.83 -1.51 0.00 0.00 177.39 175.54 1ssf s GLY 126 N -0.74 -0.91 0.14 -0.72 0.00 -0.87 -4.77 107.32 99.45 1ssf s GLY 126 Ca 0.00 2.08 0.13 0.00 0.00 0.00 0.00 44.72 46.93 1ssf s GLY 126 CO 0.00 4.05 1.15 -0.56 0.00 0.00 0.00 173.10 177.74 1ssf h PRO 127 N 7.37 0.00 -4.91 2.90 0.13 -1.86 -3.44 132.00 132.20 1ssf h PRO 127 Ca -0.09 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.37 1ssf h PRO 127 Cb 1.18 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.96 1ssf h PRO 127 CO -0.08 0.58 -0.78 -0.47 -0.23 0.00 0.00 178.00 177.02 1ssf s TYR 128 N -2.84 3.10 0.00 1.56 5.04 -1.26 -4.89 117.35 118.06 1ssf s TYR 128 Ca 0.00 -1.86 0.00 0.00 -2.44 0.00 0.00 57.07 52.78 1ssf s TYR 128 Cb 0.09 -2.00 0.00 0.00 0.35 0.00 0.00 41.96 40.40 1ssf s TYR 128 CO 0.79 -0.80 0.00 -0.85 -1.34 0.00 0.00 175.55 173.35