#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 4.94 -1.28 6.41 3.41 -1.26 -4.44 113.62 121.39 1ssf n SER 8 Ca 0.00 -3.02 0.08 0.00 -0.26 0.00 0.00 58.87 55.67 1ssf n SER 8 Cb 0.00 -0.64 0.32 0.00 -0.26 0.00 0.00 64.21 63.62 1ssf n SER 8 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ssf n PHE 9 N 0.10 1.38 -0.00 7.33 3.72 -1.26 -4.49 117.46 124.25 1ssf n PHE 9 Ca 0.27 -0.81 -0.20 0.00 -0.05 0.00 0.00 57.45 56.66 1ssf n PHE 9 Cb 1.11 -0.39 -0.14 0.00 -0.94 0.00 0.00 39.48 39.13 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 2.69 1.31 -1.86 -4.37 2.07 -1.82 -3.37 116.25 110.90 1ssf h VAL 10 Ca 0.00 -2.42 -0.67 0.00 0.82 0.00 0.00 66.70 64.43 1ssf h VAL 10 Cb 1.64 2.95 -0.35 0.00 -1.52 0.00 0.00 31.29 34.01 1ssf h VAL 10 CO 0.32 0.66 0.07 0.61 0.02 0.00 0.00 177.57 179.25 1ssf n GLY 11 N 1.66 5.81 3.86 2.17 0.00 -1.26 -4.59 105.19 112.84 1ssf n GLY 11 Ca -0.19 -2.66 -0.21 0.00 0.00 0.00 0.00 46.02 42.96 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 -3.80 3.57 -0.03 0.99 0.20 -1.26 -4.93 118.68 113.41 1ssf s LEU 12 Ca 0.49 -0.54 0.01 0.00 0.69 0.00 0.00 54.13 54.78 1ssf s LEU 12 Cb 0.38 -2.20 -0.03 0.00 -0.43 0.00 0.00 46.19 43.90 1ssf s LEU 12 CO -0.25 -0.42 -0.04 0.00 -0.29 0.00 0.00 176.35 175.35 1ssf s ARG 13 N -4.03 2.74 0.10 1.98 1.70 -1.26 -2.67 118.95 117.50 1ssf s ARG 13 Ca 0.43 -0.59 0.01 0.00 -0.47 0.00 0.00 55.73 55.10 1ssf s ARG 13 Cb -0.05 -2.62 -0.04 0.00 -0.57 0.00 0.00 34.95 31.67 1ssf s ARG 13 CO 0.27 0.64 -0.02 0.14 -1.08 0.00 0.00 175.30 175.25 1ssf s VAL 14 N -0.95 0.47 0.01 4.99 -7.23 -1.09 -0.66 120.40 115.94 1ssf s VAL 14 Ca 0.16 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 58.44 1ssf s VAL 14 Cb -0.11 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 35.04 1ssf s VAL 14 CO 0.06 -0.77 -0.06 0.68 -0.31 0.00 0.00 175.10 174.70 1ssf s VAL 15 N -3.78 0.43 -0.38 1.32 -7.23 -0.47 -1.43 120.40 108.85 1ssf s VAL 15 Ca 0.15 -0.49 -0.08 0.00 -1.81 0.00 0.00 61.98 59.75 1ssf s VAL 15 Cb 0.07 -0.41 0.06 0.00 0.56 0.00 0.00 36.38 36.65 1ssf s VAL 15 CO -0.04 -0.05 0.19 0.00 -0.31 0.00 0.00 175.10 174.89 1ssf s ALA 16 N -0.52 3.18 -0.20 1.32 0.00 0.25 -2.32 121.76 123.47 1ssf s ALA 16 Ca -0.02 -1.97 -0.05 0.00 0.00 0.00 0.00 51.96 49.92 1ssf s ALA 16 Cb -0.05 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.58 1ssf s ALA 16 CO -0.00 -1.51 -0.00 0.15 0.00 0.00 0.00 175.76 174.40 1ssf s LYS 17 N 1.41 3.62 0.00 0.00 1.02 -0.03 -0.97 119.74 124.79 1ssf s LYS 17 Ca 0.01 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.48 1ssf s LYS 17 Cb -0.21 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 1ssf s LYS 17 CO 0.02 0.02 0.00 0.91 -0.92 0.00 0.00 175.35 175.38 1ssf n TRP 18 N 4.22 0.00 -4.15 3.18 7.02 -1.26 -4.20 117.44 122.25 1ssf n TRP 18 Ca -0.17 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.01 1ssf n TRP 18 Cb 0.52 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.33 1ssf n TRP 18 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1ssf s SER 19 N -1.00 4.90 -0.30 -0.99 0.01 -1.26 -4.84 113.70 110.22 1ssf s SER 19 Ca 0.00 -0.23 -0.29 0.00 1.31 0.00 0.00 55.95 56.75 1ssf s SER 19 Cb 0.00 -1.12 -0.07 0.00 0.21 0.00 0.00 66.02 65.04 1ssf s SER 19 CO 0.00 0.17 2.27 -1.20 0.41 0.00 0.00 173.24 174.89 1ssf n SER 20 N 0.54 2.88 -0.00 2.44 7.64 -1.26 -4.75 113.62 121.11 1ssf n SER 20 Ca -0.11 0.09 0.01 0.00 1.01 0.00 0.00 58.87 59.87 1ssf n SER 20 Cb 0.52 -1.51 -0.02 0.00 -1.01 0.00 0.00 64.21 62.18 1ssf n SER 20 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ssf n ASN 21 N 12.27 4.32 0.00 6.43 2.85 -1.26 -5.04 115.26 134.83 1ssf n ASN 21 Ca 0.33 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.80 1ssf n ASN 21 Cb 0.43 0.99 0.00 0.00 1.24 0.00 0.00 39.78 42.44 1ssf n ASN 21 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ssf n GLY 22 N 2.46 2.59 3.12 8.20 0.00 -1.26 -5.07 105.19 115.23 1ssf n GLY 22 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.65 0.81 -0.03 1.61 -0.85 -1.26 -0.19 117.35 114.78 1ssf s TYR 23 Ca 0.00 -0.69 0.06 0.00 -0.52 0.00 0.00 57.07 55.92 1ssf s TYR 23 Cb 0.00 -0.47 -0.02 0.00 0.38 0.00 0.00 41.96 41.84 1ssf s TYR 23 CO 0.00 -0.10 -0.21 -0.06 -1.52 0.00 0.00 175.55 173.66 1ssf s PHE 24 N -2.45 2.48 0.36 -3.49 0.08 0.64 -4.81 117.98 110.79 1ssf s PHE 24 Ca 0.01 -0.33 0.05 0.00 0.12 0.00 0.00 56.93 56.79 1ssf s PHE 24 Cb -0.03 -1.55 0.06 0.00 -0.57 0.00 0.00 43.02 40.93 1ssf s PHE 24 CO -0.02 0.05 0.50 0.66 -0.10 0.00 0.00 175.22 176.31 1ssf n TYR 25 N 2.39 -2.64 -2.64 0.36 4.01 -0.14 -2.83 117.16 115.66 1ssf n TYR 25 Ca -0.16 -1.25 -0.38 0.00 -0.16 0.00 0.00 57.90 55.94 1ssf n TYR 25 Cb 0.51 -0.35 -0.05 0.00 -0.31 0.00 0.00 39.34 39.15 1ssf n TYR 25 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ssf s SER 26 N -3.21 7.21 0.09 7.72 0.15 -1.26 -0.58 113.70 123.82 1ssf s SER 26 Ca 0.37 2.01 -0.01 0.00 0.70 0.00 0.00 55.95 59.03 1ssf s SER 26 Cb -0.03 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 1ssf s SER 26 CO 0.24 -0.16 0.01 -0.83 1.20 0.00 0.00 173.24 173.69 1ssf s GLY 27 N -1.35 0.71 -0.02 9.45 0.00 -0.52 -4.39 107.32 111.21 1ssf s GLY 27 Ca 0.49 -1.33 -0.03 0.00 0.00 0.00 0.00 44.72 43.85 1ssf s GLY 27 CO 0.30 -1.34 0.08 -1.59 0.00 0.00 0.00 173.10 170.54 1ssf s LYS 28 N -3.97 0.22 0.25 2.90 -2.85 0.37 -2.65 119.74 114.01 1ssf s LYS 28 Ca 0.15 -0.12 -0.02 0.00 -1.00 0.00 0.00 55.97 54.98 1ssf s LYS 28 Cb 0.08 0.09 -0.04 0.00 -2.06 0.00 0.00 37.83 35.90 1ssf s LYS 28 CO -0.05 -0.04 0.46 -1.50 0.10 0.00 0.00 175.35 174.33 1ssf s ILE 29 N -0.52 5.14 -0.13 3.79 2.07 -1.09 -0.91 121.20 129.55 1ssf s ILE 29 Ca -0.06 -0.28 -0.06 0.00 -1.41 0.00 0.00 60.65 58.84 1ssf s ILE 29 Cb -0.04 -3.76 -0.05 0.00 0.13 0.00 0.00 42.46 38.74 1ssf s ILE 29 CO 0.00 -0.29 -0.16 0.41 -1.91 0.00 0.00 174.94 172.99 1ssf n THR 30 N -0.96 0.70 -3.90 4.00 -1.04 0.07 -4.81 114.28 108.34 1ssf n THR 30 Ca -0.04 -0.17 -0.09 0.00 -2.04 0.00 0.00 64.05 61.71 1ssf n THR 30 Cb 0.54 -1.67 -0.02 0.00 -1.82 0.00 0.00 70.33 67.36 1ssf n THR 30 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1ssf s ARG 31 N -2.23 1.84 0.42 -2.82 0.52 -0.71 -4.64 118.95 111.33 1ssf s ARG 31 Ca -0.18 -1.23 -0.02 0.00 -0.52 0.00 0.00 55.73 53.78 1ssf s ARG 31 Cb 0.07 0.56 -0.03 0.00 0.52 0.00 0.00 34.95 36.07 1ssf s ARG 31 CO 0.22 -0.83 0.67 0.16 0.02 0.00 0.00 175.30 175.55 1ssf s ASP 32 N -3.01 6.28 -0.16 0.23 -4.77 -1.26 -0.80 116.67 113.17 1ssf s ASP 32 Ca 0.17 0.70 0.02 0.00 -3.30 0.00 0.00 52.55 50.14 1ssf s ASP 32 Cb -0.04 -2.14 0.01 0.00 -1.09 0.00 0.00 42.92 39.66 1ssf s ASP 32 CO 0.10 -0.44 -0.21 0.68 0.70 0.00 0.00 175.17 175.99 1ssf s VAL 33 N -2.54 2.05 0.00 2.11 -7.23 -0.77 -4.58 120.40 109.44 1ssf s VAL 33 Ca 0.44 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.66 1ssf s VAL 33 Cb -0.10 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 35.01 1ssf s VAL 33 CO 0.41 0.54 0.00 0.61 -0.31 0.00 0.00 175.10 176.35 1ssf n GLY 34 N 4.34 0.37 3.47 2.32 0.00 -1.26 -2.36 105.19 112.06 1ssf n GLY 34 Ca -0.20 0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.18 3.15 0.00 4.61 0.00 -1.26 -4.62 121.76 123.46 1ssf s ALA 35 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1ssf s ALA 35 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1ssf s ALA 35 CO 0.00 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1ssf n GLY 36 N 4.56 2.00 3.62 0.00 0.00 -1.26 -5.02 105.19 109.09 1ssf n GLY 36 Ca -0.16 0.00 -0.23 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 -0.38 2.17 -0.00 1.61 -2.85 -1.00 0.80 119.74 120.09 1ssf s LYS 37 Ca 0.00 -1.52 0.02 0.00 -1.00 0.00 0.00 55.97 53.47 1ssf s LYS 37 Cb 0.00 -2.07 -0.01 0.00 -2.06 0.00 0.00 37.83 33.70 1ssf s LYS 37 CO 0.00 0.33 -0.06 0.71 0.10 0.00 0.00 175.35 176.42 1ssf s TYR 38 N -2.38 0.55 -0.31 1.78 2.02 -0.09 -1.84 117.35 117.08 1ssf s TYR 38 Ca 0.32 -0.11 -0.03 0.00 -0.37 0.00 0.00 57.07 56.88 1ssf s TYR 38 Cb -0.05 -0.35 0.05 0.00 -0.40 0.00 0.00 41.96 41.20 1ssf s TYR 38 CO 0.19 -0.01 0.02 0.21 -1.57 0.00 0.00 175.55 174.39 1ssf s LYS 39 N -0.18 2.48 0.14 -0.62 2.47 0.02 -1.48 119.74 122.57 1ssf s LYS 39 Ca 0.02 -1.24 0.03 0.00 -1.56 0.00 0.00 55.97 53.22 1ssf s LYS 39 Cb -0.03 -3.24 -0.04 0.00 -1.46 0.00 0.00 37.83 33.06 1ssf s LYS 39 CO -0.00 -0.62 -0.05 -0.48 0.16 0.00 0.00 175.35 174.35 1ssf s LEU 40 N 1.29 2.39 0.08 5.43 -0.00 -0.95 -0.75 118.68 126.17 1ssf s LEU 40 Ca -0.04 -1.07 0.06 0.00 -0.00 0.00 0.00 54.13 53.08 1ssf s LEU 40 Cb -0.20 -0.14 -0.03 0.00 -0.00 0.00 0.00 46.19 45.82 1ssf s LEU 40 CO -0.00 -0.46 -0.16 -0.22 -0.00 0.00 0.00 176.35 175.50 1ssf s LEU 41 N -3.12 2.28 0.54 1.48 0.20 -0.08 -2.26 118.68 117.71 1ssf s LEU 41 Ca 0.17 -0.64 -0.12 0.00 0.69 0.00 0.00 54.13 54.24 1ssf s LEU 41 Cb 0.05 -0.62 -0.05 0.00 -0.43 0.00 0.00 46.19 45.13 1ssf s LEU 41 CO -0.00 -0.04 0.94 -0.36 -0.29 0.00 0.00 176.35 176.60 1ssf s PHE 42 N -1.24 3.55 -1.44 5.38 0.40 -0.39 -0.47 117.98 123.77 1ssf s PHE 42 Ca 0.00 1.23 0.08 0.00 -0.60 0.00 0.00 56.93 57.65 1ssf s PHE 42 Cb -0.10 -2.64 0.39 0.00 0.51 0.00 0.00 43.02 41.19 1ssf s PHE 42 CO 0.03 -0.45 1.11 -0.25 0.70 0.00 0.00 175.22 176.36 1ssf n ASP 43 N -2.13 0.00 -0.45 1.36 8.00 -1.26 -0.41 116.55 121.66 1ssf n ASP 43 Ca 0.05 0.17 0.08 0.00 0.71 0.00 0.00 54.79 55.79 1ssf n ASP 43 Cb 0.54 -0.28 0.02 0.00 -0.02 0.00 0.00 41.12 41.38 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 -1.28 1.83 0.00 -2.24 5.68 -1.26 -5.04 116.55 114.24 1ssf n ASP 44 Ca 0.04 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 52.91 1ssf n ASP 44 Cb 0.06 0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 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 1.07 0.99 3.43 6.12 0.00 0.46 -5.08 105.19 112.18 1ssf n GLY 45 Ca 0.07 -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 3.22 0.25 1.61 5.04 -1.26 -4.77 117.35 119.44 1ssf s TYR 46 Ca 0.00 -0.69 0.06 0.00 -2.44 0.00 0.00 57.07 54.00 1ssf s TYR 46 Cb 0.00 -2.91 -0.03 0.00 0.35 0.00 0.00 41.96 39.37 1ssf s TYR 46 CO 0.00 -0.71 0.28 -2.00 -1.34 0.00 0.00 175.55 171.78 1ssf s GLU 47 N 1.78 3.17 0.27 4.97 2.12 -1.26 -1.26 118.70 128.49 1ssf s GLU 47 Ca 0.06 -0.92 -0.19 0.00 0.36 0.00 0.00 54.97 54.28 1ssf s GLU 47 Cb -0.21 -2.72 0.07 0.00 0.26 0.00 0.00 34.13 31.53 1ssf s GLU 47 CO 0.09 0.40 0.94 0.00 -0.54 0.00 0.00 175.26 176.15 1ssf s ASP 49 N -3.27 3.20 0.19 0.00 1.11 -1.26 -2.24 116.67 114.41 1ssf s ASP 49 Ca 0.19 -0.51 -0.09 0.00 0.18 0.00 0.00 52.55 52.32 1ssf s ASP 49 Cb -0.04 -1.24 -0.01 0.00 1.07 0.00 0.00 42.92 42.70 1ssf s ASP 49 CO 0.08 0.19 0.32 0.68 1.18 0.00 0.00 175.17 177.62 1ssf s VAL 50 N 0.16 0.04 0.23 -1.27 -7.23 -0.55 -5.01 120.40 106.77 1ssf s VAL 50 Ca -0.13 -1.47 -0.28 0.00 -1.81 0.00 0.00 61.98 58.30 1ssf s VAL 50 Cb -0.16 -2.03 -0.09 0.00 0.56 0.00 0.00 36.38 34.66 1ssf s VAL 50 CO 0.07 -0.17 0.89 -0.22 -0.31 0.00 0.00 175.10 175.36 1ssf s LEU 51 N -3.01 4.59 0.00 1.32 1.98 -1.26 -0.91 118.68 121.39 1ssf s LEU 51 Ca 0.21 1.84 0.12 0.00 -2.89 0.00 0.00 54.13 53.41 1ssf s LEU 51 Cb 0.03 -3.58 0.48 0.00 0.66 0.00 0.00 46.19 43.77 1ssf s LEU 51 CO 0.04 0.14 1.34 0.61 -1.89 0.00 0.00 176.35 176.59 1ssf n GLY 52 N 1.38 -0.16 0.43 7.98 0.00 0.24 -1.41 105.19 113.65 1ssf n GLY 52 Ca -0.02 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.87 1ssf n GLY 52 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ssf n LYS 53 N -0.02 1.57 0.00 1.61 -0.00 -1.26 -4.05 118.16 116.02 1ssf n LYS 53 Ca 0.10 -0.85 0.00 0.00 -0.00 0.00 0.00 58.31 57.56 1ssf n LYS 53 Cb 0.19 -1.41 0.00 0.00 -0.00 0.00 0.00 35.03 33.81 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 0.06 0.00 -4.16 -5.58 8.00 -0.50 -4.82 116.55 109.55 1ssf n ASP 54 Ca 0.17 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.31 1ssf n ASP 54 Cb 0.29 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.26 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 0.00 3.21 0.15 0.53 1.09 -1.13 -0.85 121.20 124.20 1ssf s ILE 55 Ca 0.00 -1.66 0.02 0.00 -1.10 0.00 0.00 60.65 57.91 1ssf s ILE 55 Cb 0.00 -3.01 -0.04 0.00 -1.06 0.00 0.00 42.46 38.34 1ssf s ILE 55 CO 0.00 -0.38 -0.04 -1.48 -0.10 0.00 0.00 174.94 172.94 1ssf s LEU 56 N 1.22 2.34 -0.68 2.97 -0.00 -0.98 -4.46 118.68 119.08 1ssf s LEU 56 Ca 0.01 -1.09 -0.31 0.00 -0.00 0.00 0.00 54.13 52.75 1ssf s LEU 56 Cb -0.21 -0.14 -0.15 0.00 -0.00 0.00 0.00 46.19 45.69 1ssf s LEU 56 CO -0.02 -0.48 2.48 0.00 -0.00 0.00 0.00 176.35 178.33 1ssf n LEU 57 N -0.18 1.36 -4.94 1.48 -0.00 -1.25 -1.37 117.00 112.09 1ssf n LEU 57 Ca -0.09 0.01 -0.20 0.00 -0.00 0.00 0.00 56.01 55.73 1ssf n LEU 57 Cb 0.62 -1.21 -0.00 0.00 -0.00 0.00 0.00 43.42 42.82 1ssf n LEU 57 CO 0.32 -1.02 0.10 0.00 -0.00 0.00 0.00 177.39 176.79 1ssf n ASP 59 N -1.76 1.97 0.02 0.00 9.92 -1.26 -4.63 116.55 120.82 1ssf n ASP 59 Ca 0.06 0.15 -0.01 0.00 -0.53 0.00 0.00 54.79 54.45 1ssf n ASP 59 Cb 0.61 -0.65 -0.01 0.00 -0.64 0.00 0.00 41.12 40.43 1ssf n ASP 59 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1ssf h PRO 60 N -0.60 -0.07 -6.21 -0.24 0.11 -1.96 -3.46 132.00 119.57 1ssf h PRO 60 Ca -0.66 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 64.92 1ssf h PRO 60 Cb 1.73 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.78 1ssf h PRO 60 CO -0.29 -0.05 -0.59 0.42 -0.21 0.00 0.00 178.00 177.28 1ssf s ILE 61 N -1.98 3.97 0.26 4.15 1.09 -1.26 -4.96 121.20 122.47 1ssf s ILE 61 Ca -0.01 -1.59 -0.30 0.00 -1.10 0.00 0.00 60.65 57.65 1ssf s ILE 61 Cb 0.00 -3.11 -0.11 0.00 -1.06 0.00 0.00 42.46 38.18 1ssf s ILE 61 CO 0.03 -0.32 1.50 -2.84 -0.10 0.00 0.00 174.94 173.21 1ssf s PRO 62 N -3.64 4.21 0.00 2.79 0.02 -1.26 -4.88 135.00 132.25 1ssf s PRO 62 Ca 0.32 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.74 1ssf s PRO 62 Cb -0.08 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1ssf s PRO 62 CO 0.22 -0.50 0.00 1.28 -0.33 0.00 0.00 177.00 177.67 1ssf n LEU 63 N 2.33 0.00 -0.01 -5.54 4.32 -1.26 -0.54 117.00 116.29 1ssf n LEU 63 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 1ssf n LEU 63 Cb 0.39 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1ssf n LEU 63 CO 0.62 0.00 0.38 0.47 -1.22 0.00 0.00 177.39 177.64 1ssf n ASP 64 N -0.12 1.04 -4.20 -1.43 8.00 -1.04 -4.20 116.55 114.59 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 -0.02 -0.15 0.00 -0.02 0.00 0.00 41.12 40.93 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 -0.56 2.66 -0.66 -3.53 2.01 0.30 -4.92 115.64 110.94 1ssf s THR 65 Ca 0.01 -0.76 -0.26 0.00 0.31 0.00 0.00 61.69 60.99 1ssf s THR 65 Cb 0.01 -2.18 -0.08 0.00 0.01 0.00 0.00 72.50 70.25 1ssf s THR 65 CO 0.00 0.46 2.25 -1.83 -0.69 0.00 0.00 174.62 174.81 1ssf s GLU 66 N 1.37 2.10 0.48 4.92 -1.05 -1.26 -0.51 118.70 124.75 1ssf s GLU 66 Ca 0.05 0.74 0.06 0.00 -0.15 0.00 0.00 54.97 55.66 1ssf s GLU 66 Cb -0.14 -4.68 0.03 0.00 -0.44 0.00 0.00 34.13 28.90 1ssf s GLU 66 CO -0.08 -3.57 0.66 0.14 0.95 0.00 0.00 175.26 173.36 1ssf s VAL 67 N 12.16 2.81 -0.07 1.83 -7.23 0.35 -4.79 120.40 125.46 1ssf s VAL 67 Ca 0.87 -0.89 -0.02 0.00 -1.81 0.00 0.00 61.98 60.12 1ssf s VAL 67 Cb -0.13 -2.92 -0.03 0.00 0.56 0.00 0.00 36.38 33.85 1ssf s VAL 67 CO 0.16 0.00 0.03 0.28 -0.31 0.00 0.00 175.10 175.26 1ssf s THR 68 N -2.52 4.53 -0.09 5.32 -1.32 -0.61 -1.78 115.64 119.17 1ssf s THR 68 Ca 0.57 -0.23 -0.02 0.00 -1.21 0.00 0.00 61.69 60.79 1ssf s THR 68 Cb -0.10 -2.94 -0.03 0.00 -1.51 0.00 0.00 72.50 67.92 1ssf s THR 68 CO 0.35 0.56 0.01 0.00 -2.21 0.00 0.00 174.62 173.34 1ssf s ALA 69 N -0.96 3.33 -0.33 11.08 0.00 0.14 -0.92 121.76 134.09 1ssf s ALA 69 Ca 0.15 -0.79 -0.28 0.00 0.00 0.00 0.00 51.96 51.04 1ssf s ALA 69 Cb -0.12 -1.53 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 1ssf s ALA 69 CO 0.05 0.57 1.85 -1.17 0.00 0.00 0.00 175.76 177.06 1ssf s LEU 70 N -0.82 3.49 0.19 0.00 1.98 0.53 -3.54 118.68 120.50 1ssf s LEU 70 Ca 0.13 1.31 -0.01 0.00 -2.89 0.00 0.00 54.13 52.67 1ssf s LEU 70 Cb -0.11 -3.45 -0.04 0.00 0.66 0.00 0.00 46.19 43.25 1ssf s LEU 70 CO 0.02 -1.78 0.10 -0.55 -1.89 0.00 0.00 176.35 172.25 1ssf s SER 71 N 6.49 0.37 0.98 3.68 0.15 -1.26 -5.06 113.70 119.06 1ssf s SER 71 Ca 0.81 -1.33 -0.22 0.00 0.70 0.00 0.00 55.95 55.91 1ssf s SER 71 Cb -0.23 0.32 -0.17 0.00 -1.71 0.00 0.00 66.02 64.23 1ssf s SER 71 CO 0.33 -0.79 -1.18 -1.84 1.20 0.00 0.00 173.24 170.97 1ssf n GLU 72 N -0.25 0.00 -0.27 5.44 0.00 -1.26 -4.07 120.64 120.24 1ssf n GLU 72 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.18 1ssf n GLU 72 Cb 0.65 -0.98 0.11 0.00 0.00 0.00 0.00 31.44 31.22 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 -0.98 -0.64 -0.33 -1.84 3.32 -2.01 0.30 116.42 114.24 1ssf h ASP 73 Ca -0.41 0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1ssf h ASP 73 Cb 1.33 0.45 0.00 0.00 0.22 0.00 0.00 39.33 41.33 1ssf h ASP 73 CO 0.22 -0.24 0.00 -1.84 -1.72 0.00 0.00 179.24 175.65 1ssf n GLU 74 N -5.47 2.88 -0.03 3.56 0.28 -1.26 -4.66 120.64 115.94 1ssf n GLU 74 Ca 0.11 -2.11 -0.03 0.00 -0.16 0.00 0.00 57.16 54.98 1ssf n GLU 74 Cb 0.42 -1.31 -0.04 0.00 1.43 0.00 0.00 31.44 31.93 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 0.39 0.00 -1.65 -1.84 4.02 -0.83 -5.06 117.16 112.19 1ssf n TYR 75 Ca 0.12 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.57 1ssf n TYR 75 Cb 0.46 -0.25 -0.02 0.00 -0.02 0.00 0.00 39.34 39.52 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 -2.29 1.88 -4.08 -0.72 1.16 0.99 -4.88 117.46 109.51 1ssf n PHE 76 Ca -0.09 0.58 -0.07 0.00 -1.87 0.00 0.00 57.45 55.99 1ssf n PHE 76 Cb 0.65 -2.37 -0.10 0.00 -1.61 0.00 0.00 39.48 36.06 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 -0.20 0.44 0.55 5.98 0.01 -1.23 -4.90 113.70 114.36 1ssf s SER 77 Ca 0.61 -1.01 -0.10 0.00 1.31 0.00 0.00 55.95 56.77 1ssf s SER 77 Cb -0.65 0.22 -0.05 0.00 0.21 0.00 0.00 66.02 65.75 1ssf s SER 77 CO 0.57 -0.63 0.94 0.00 0.41 0.00 0.00 173.24 174.53 1ssf s ALA 78 N -3.93 3.20 0.18 1.44 0.00 -1.25 -0.68 121.76 120.72 1ssf s ALA 78 Ca 0.09 -0.18 -0.19 0.00 0.00 0.00 0.00 51.96 51.68 1ssf s ALA 78 Cb 0.08 -2.92 0.04 0.00 0.00 0.00 0.00 23.12 20.32 1ssf s ALA 78 CO -0.09 -0.49 0.54 0.20 0.00 0.00 0.00 175.76 175.93 1ssf s GLY 79 N -3.94 -0.26 -0.29 0.00 0.00 -0.73 -4.56 107.32 97.53 1ssf s GLY 79 Ca 0.53 -0.01 -0.11 0.00 0.00 0.00 0.00 44.72 45.13 1ssf s GLY 79 CO 0.47 -0.14 0.19 0.14 0.00 0.00 0.00 173.10 173.77 1ssf s VAL 80 N -3.83 5.25 0.18 1.40 1.01 0.19 -0.49 120.40 124.11 1ssf s VAL 80 Ca 0.06 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 1ssf s VAL 80 Cb -0.01 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.75 1ssf s VAL 80 CO -0.06 0.20 1.17 0.54 0.00 0.00 0.00 175.10 176.95 1ssf s VAL 81 N 1.74 3.66 0.00 2.92 0.11 0.33 -0.27 120.40 128.89 1ssf s VAL 81 Ca 0.07 1.40 0.00 0.00 -2.93 0.00 0.00 61.98 60.52 1ssf s VAL 81 Cb -0.16 -3.89 0.00 0.00 -1.53 0.00 0.00 36.38 30.79 1ssf s VAL 81 CO 0.11 0.23 0.00 2.29 -3.33 0.00 0.00 175.10 174.39 1ssf n LYS 82 N 2.49 0.79 -3.67 1.54 2.85 -1.08 -2.50 118.16 118.58 1ssf n LYS 82 Ca 0.04 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.20 1ssf n LYS 82 Cb 0.45 -0.62 -0.08 0.00 -0.65 0.00 0.00 35.03 34.13 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 -1.77 -0.49 0.00 2.58 0.00 -1.25 -4.76 107.32 101.63 1ssf s GLY 83 Ca 0.00 1.93 -0.03 0.00 0.00 0.00 0.00 44.72 46.62 1ssf s GLY 83 CO 0.00 1.88 0.05 -2.38 0.00 0.00 0.00 173.10 172.66 1ssf s HIS 84 N 1.10 0.11 0.29 1.90 -3.43 -1.26 -1.65 115.29 112.35 1ssf s HIS 84 Ca -0.06 -0.23 0.06 0.00 -0.80 0.00 0.00 55.06 54.03 1ssf s HIS 84 Cb -0.06 -0.09 -0.06 0.00 -1.43 0.00 0.00 32.58 30.94 1ssf s HIS 84 CO -0.11 -0.19 -0.04 -0.98 -2.00 0.00 0.00 174.74 171.42 1ssf s ARG 85 N -1.11 1.56 0.02 -0.38 1.70 -0.10 -5.02 118.95 115.61 1ssf s ARG 85 Ca -0.12 -1.80 0.01 0.00 -0.47 0.00 0.00 55.73 53.34 1ssf s ARG 85 Cb -0.07 -1.09 -0.02 0.00 -0.57 0.00 0.00 34.95 33.20 1ssf s ARG 85 CO 0.00 -0.01 -0.04 -1.59 -1.08 0.00 0.00 175.30 172.59 1ssf s LYS 86 N -3.76 0.33 0.20 3.89 0.00 -1.26 -2.63 119.74 116.50 1ssf s LYS 86 Ca 0.30 -0.49 0.06 0.00 0.00 0.00 0.00 55.97 55.85 1ssf s LYS 86 Cb 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 37.83 37.75 1ssf s LYS 86 CO 0.12 0.01 -0.11 -1.21 0.00 0.00 0.00 175.35 174.15 1ssf s GLU 87 N -1.06 1.27 -0.99 1.78 0.41 -0.34 -4.99 118.70 114.78 1ssf s GLU 87 Ca -0.09 -1.57 -0.21 0.00 -0.41 0.00 0.00 54.97 52.69 1ssf s GLU 87 Cb -0.07 -0.95 -0.10 0.00 -1.78 0.00 0.00 34.13 31.23 1ssf s GLU 87 CO -0.00 0.12 1.96 -1.13 -0.49 0.00 0.00 175.26 175.72 1ssf n SER 88 N -0.35 3.00 0.00 -0.19 3.41 -1.26 -2.56 113.62 115.67 1ssf n SER 88 Ca -0.08 -2.72 0.00 0.00 -0.26 0.00 0.00 58.87 55.80 1ssf n SER 88 Cb 0.61 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1ssf n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ssf n GLY 89 N 4.79 1.30 3.04 5.00 0.00 -1.26 -5.12 105.19 112.94 1ssf n GLY 89 Ca 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.19 0.49 -0.02 1.61 2.02 -1.06 -5.09 118.70 116.46 1ssf s GLU 90 Ca 0.00 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.32 1ssf s GLU 90 Cb 0.00 -0.24 0.01 0.00 0.10 0.00 0.00 34.13 33.99 1ssf s GLU 90 CO 0.00 0.04 -0.07 -1.17 0.02 0.00 0.00 175.26 174.08 1ssf s LEU 91 N -1.44 1.74 -0.07 1.80 1.98 -1.26 -1.20 118.68 120.23 1ssf s LEU 91 Ca -0.10 -0.16 -0.06 0.00 -2.89 0.00 0.00 54.13 50.93 1ssf s LEU 91 Cb -0.09 -0.48 0.02 0.00 0.66 0.00 0.00 46.19 46.30 1ssf s LEU 91 CO 0.00 0.04 0.18 -0.31 -1.89 0.00 0.00 176.35 174.37 1ssf s TYR 92 N 0.27 -0.20 0.18 5.38 1.51 -1.08 -3.97 117.35 119.44 1ssf s TYR 92 Ca -0.04 0.48 -0.11 0.00 -1.01 0.00 0.00 57.07 56.40 1ssf s TYR 92 Cb -0.08 0.06 -0.00 0.00 -0.11 0.00 0.00 41.96 41.82 1ssf s TYR 92 CO 0.00 -0.10 0.36 1.52 -1.11 0.00 0.00 175.55 176.22 1ssf s TYR 93 N 0.19 0.30 -0.20 2.71 1.13 0.24 -0.93 117.35 120.80 1ssf s TYR 93 Ca -0.01 -0.66 -0.07 0.00 -1.41 0.00 0.00 57.07 54.93 1ssf s TYR 93 Cb -0.02 0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.86 1ssf s TYR 93 CO -0.00 -0.80 0.05 0.45 -2.51 0.00 0.00 175.55 172.74 1ssf s SER 94 N -2.96 5.38 -0.11 -0.18 0.15 -0.66 -1.76 113.70 113.56 1ssf s SER 94 Ca 0.17 -0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.81 1ssf s SER 94 Cb 0.02 -1.93 0.01 0.00 -1.71 0.00 0.00 66.02 62.41 1ssf s SER 94 CO 0.01 0.11 -0.19 0.27 1.20 0.00 0.00 173.24 174.64 1ssf s ILE 95 N 0.75 1.77 -0.46 6.45 -0.00 -0.41 -2.63 121.20 126.68 1ssf s ILE 95 Ca 0.03 -0.83 -0.17 0.00 -0.00 0.00 0.00 60.65 59.68 1ssf s ILE 95 Cb -0.14 -1.57 0.05 0.00 -0.00 0.00 0.00 42.46 40.80 1ssf s ILE 95 CO 0.02 0.50 0.47 -0.70 -0.00 0.00 0.00 174.94 175.23 1ssf s GLU 96 N 0.67 3.06 -0.05 0.37 2.56 0.62 -0.37 118.70 125.57 1ssf s GLU 96 Ca -0.12 -0.99 -0.05 0.00 0.00 0.00 0.00 54.97 53.81 1ssf s GLU 96 Cb -0.16 -4.06 0.01 0.00 2.00 0.00 0.00 34.13 31.93 1ssf s GLU 96 CO 0.03 -1.01 0.15 0.21 -0.56 0.00 0.00 175.26 174.08 1ssf s LYS 97 N 2.11 0.20 0.00 4.30 2.20 0.19 -0.64 119.74 128.10 1ssf s LYS 97 Ca 0.10 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.88 1ssf s LYS 97 Cb -0.20 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.22 1ssf s LYS 97 CO 0.11 -0.03 0.00 -1.91 -0.36 0.00 0.00 175.35 173.16 1ssf n GLU 98 N 2.89 -0.54 0.00 4.03 2.13 -1.26 -1.40 120.64 126.49 1ssf n GLU 98 Ca -0.13 0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ssf n GLU 98 Cb 0.59 -4.15 0.00 0.00 0.27 0.00 0.00 31.44 28.14 1ssf n GLU 98 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ssf n GLY 99 N -1.28 1.39 3.32 8.31 0.00 -1.26 -5.11 105.19 110.55 1ssf n GLY 99 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 1.45 0.04 1.61 1.03 -0.49 -5.16 119.66 118.14 1ssf s GLN 100 Ca 0.00 -1.79 -0.19 0.00 0.04 0.00 0.00 55.36 53.42 1ssf s GLN 100 Cb 0.00 -0.24 -0.06 0.00 0.03 0.00 0.00 33.01 32.74 1ssf s GLN 100 CO 0.00 -0.32 0.55 0.50 -2.54 0.00 0.00 175.29 173.48 1ssf s ARG 101 N -4.00 4.20 -0.06 9.60 3.00 -1.26 0.54 118.95 130.96 1ssf s ARG 101 Ca 0.37 0.68 0.05 0.00 -1.00 0.00 0.00 55.73 55.84 1ssf s ARG 101 Cb 0.07 -3.27 -0.01 0.00 0.00 0.00 0.00 34.95 31.75 1ssf s ARG 101 CO 0.14 0.57 -0.22 0.15 0.00 0.00 0.00 175.30 175.94 1ssf s LYS 102 N -0.84 2.36 -0.18 5.12 1.02 0.50 -4.91 119.74 122.80 1ssf s LYS 102 Ca 0.29 -0.78 -0.01 0.00 0.02 0.00 0.00 55.97 55.48 1ssf s LYS 102 Cb -0.19 -1.96 -0.00 0.00 -0.52 0.00 0.00 37.83 35.16 1ssf s LYS 102 CO 0.18 0.28 -0.11 -1.58 -0.92 0.00 0.00 175.35 173.19 1ssf s TRP 103 N 0.03 2.86 0.38 3.18 0.52 -1.26 -1.28 118.94 123.37 1ssf s TRP 103 Ca -0.07 -1.09 0.04 0.00 0.02 0.00 0.00 56.10 55.00 1ssf s TRP 103 Cb -0.14 -1.98 -0.03 0.00 -1.15 0.00 0.00 33.47 30.17 1ssf s TRP 103 CO 0.04 -0.55 0.12 0.71 0.02 0.00 0.00 176.95 177.29 1ssf s TYR 104 N 1.14 1.79 0.33 -1.98 2.02 -0.72 -5.02 117.35 114.91 1ssf s TYR 104 Ca 0.01 -1.24 0.08 0.00 -0.37 0.00 0.00 57.07 55.55 1ssf s TYR 104 Cb -0.14 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 1ssf s TYR 104 CO -0.04 -0.27 0.16 -1.59 -1.57 0.00 0.00 175.55 172.24 1ssf s LYS 105 N -3.76 2.47 0.19 -0.62 0.00 -1.25 -0.59 119.74 116.18 1ssf s LYS 105 Ca 0.27 -1.46 0.01 0.00 0.00 0.00 0.00 55.97 54.79 1ssf s LYS 105 Cb 0.04 -2.26 0.47 0.00 0.00 0.00 0.00 37.83 36.09 1ssf s LYS 105 CO 0.15 0.14 0.98 0.54 0.00 0.00 0.00 175.35 177.16 1ssf n ARG 106 N -1.18 -0.05 0.16 1.78 5.12 -1.26 -2.59 116.66 118.65 1ssf n ARG 106 Ca -0.03 0.93 0.12 0.00 -1.93 0.00 0.00 57.85 56.94 1ssf n ARG 106 Cb 0.61 -1.48 0.58 0.00 -1.16 0.00 0.00 32.46 31.01 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 0.00 5.56 -0.00 -1.96 -2.73 114.93 115.80 1ssf h MET 107 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.08 1ssf h MET 107 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.37 1ssf h MET 107 CO -0.59 0.00 -0.94 0.00 -0.00 0.00 0.00 176.91 175.38 1ssf n ALA 108 N -1.81 3.85 -3.83 -3.00 0.00 -1.07 -4.85 120.51 109.79 1ssf n ALA 108 Ca 0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 53.44 52.70 1ssf n ALA 108 Cb 0.14 -0.58 -0.14 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.64 1.71 0.61 0.00 0.11 -1.03 -0.34 120.40 118.82 1ssf s VAL 109 Ca 0.04 -2.38 0.06 0.00 -2.93 0.00 0.00 61.98 56.77 1ssf s VAL 109 Cb 0.12 -2.23 0.09 0.00 -1.53 0.00 0.00 36.38 32.83 1ssf s VAL 109 CO 0.67 -0.76 0.84 0.27 -3.33 0.00 0.00 175.10 172.79 1ssf s ILE 110 N 0.66 2.23 0.04 7.04 -4.36 -0.10 -4.80 121.20 121.90 1ssf s ILE 110 Ca 0.14 -0.86 -0.09 0.00 -0.26 0.00 0.00 60.65 59.58 1ssf s ILE 110 Cb -0.22 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.13 1ssf s ILE 110 CO -0.08 0.00 0.18 -1.48 0.24 0.00 0.00 174.94 173.80 1ssf s LEU 111 N -4.79 1.42 0.41 0.37 0.05 -1.13 -1.57 118.68 113.44 1ssf s LEU 111 Ca 0.63 -0.37 0.08 0.00 0.05 0.00 0.00 54.13 54.51 1ssf s LEU 111 Cb -0.06 0.90 -0.02 0.00 -2.05 0.00 0.00 46.19 44.97 1ssf s LEU 111 CO 0.40 -0.54 0.40 -0.94 -0.55 0.00 0.00 176.35 175.12 1ssf s SER 112 N -2.04 5.19 0.10 1.48 1.04 -1.26 -0.26 113.70 117.95 1ssf s SER 112 Ca -0.06 -0.66 -0.21 0.00 0.48 0.00 0.00 55.95 55.50 1ssf s SER 112 Cb -0.01 -0.64 -0.11 0.00 0.10 0.00 0.00 66.02 65.36 1ssf s SER 112 CO -0.04 -0.64 1.72 -0.07 0.98 0.00 0.00 173.24 175.20 1ssf h LEU 113 N 0.98 0.13 -0.08 2.42 3.38 -0.95 0.42 115.31 121.62 1ssf h LEU 113 Ca -0.42 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1ssf h LEU 113 Cb 1.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1ssf h LEU 113 CO 0.55 0.13 0.00 -0.62 0.09 0.00 0.00 178.44 178.60 1ssf n GLU 114 N -4.99 0.01 0.03 1.13 1.02 -1.26 0.19 120.64 116.77 1ssf n GLU 114 Ca -0.05 0.35 -0.13 0.00 -0.02 0.00 0.00 57.16 57.31 1ssf n GLU 114 Cb 0.05 -1.53 -0.14 0.00 -0.02 0.00 0.00 31.44 29.80 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 0.12 0.07 3.49 4.20 -1.92 -3.30 115.11 117.77 1ssf h GLN 115 Ca 0.00 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 1ssf h GLN 115 Cb 0.17 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1ssf h GLN 115 CO 0.00 0.88 -0.04 0.78 -0.67 0.00 0.00 178.83 179.79 1ssf h GLY 116 N 2.51 -0.10 2.00 3.46 0.00 0.14 -3.32 103.07 107.75 1ssf h GLY 116 Ca -0.23 0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 1ssf h GLY 116 CO 0.12 -0.04 -0.35 3.43 0.00 0.00 0.00 176.54 179.70 1ssf h ASN 117 N -0.89 0.00 0.38 0.19 4.21 0.18 0.74 115.58 120.39 1ssf h ASN 117 Ca -0.01 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.38 1ssf h ASN 117 Cb 0.59 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.78 1ssf h ASN 117 CO 0.02 0.35 -0.51 0.08 -1.29 0.00 0.00 177.43 176.08 1ssf h ARG 118 N 0.00 0.15 0.03 0.81 -0.00 -1.74 -3.28 114.38 110.35 1ssf h ARG 118 Ca -0.00 -0.08 -0.20 0.00 -0.00 0.00 0.00 59.98 59.69 1ssf h ARG 118 Cb 0.75 0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 30.71 1ssf h ARG 118 CO 0.05 0.62 -1.08 1.25 -0.00 0.00 0.00 179.97 180.81 1ssf h LEU 119 N 0.12 0.10 -0.78 0.08 6.46 -1.58 -3.44 115.31 116.26 1ssf h LEU 119 Ca 0.00 -0.69 0.26 0.00 -0.12 0.00 0.00 57.88 57.32 1ssf h LEU 119 Cb 0.94 -0.03 -0.14 0.00 -0.73 0.00 0.00 40.66 40.70 1ssf h LEU 119 CO 0.07 1.44 0.16 -2.11 -0.62 0.00 0.00 178.44 177.39 1ssf n ARG 120 N -4.32 -0.06 0.09 1.25 1.85 0.26 0.11 116.66 115.85 1ssf n ARG 120 Ca -0.26 1.14 0.12 0.00 -1.00 0.00 0.00 57.85 57.84 1ssf n ARG 120 Cb 0.70 -1.89 0.10 0.00 -1.05 0.00 0.00 32.46 30.32 1ssf n ARG 120 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 1ssf h GLU 121 N 0.00 0.00 0.00 2.89 4.11 -1.84 -2.21 114.58 117.53 1ssf h GLU 121 Ca 0.54 0.00 -0.43 0.00 0.07 0.00 0.00 59.36 59.55 1ssf h GLU 121 Cb 1.26 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.44 1ssf h GLU 121 CO -0.69 0.00 -2.51 0.00 0.07 0.00 0.00 179.01 175.89 1ssf n GLN 122 N -2.43 0.61 0.00 1.06 10.64 0.84 -4.92 117.38 123.18 1ssf n GLN 122 Ca 0.02 0.21 0.00 0.00 -1.83 0.00 0.00 57.00 55.40 1ssf n GLN 122 Cb 0.49 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.38 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 -3.79 0.00 0.01 2.61 4.01 0.12 -5.06 117.16 115.06 1ssf n TYR 123 Ca -0.50 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.24 1ssf n TYR 123 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.96 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 1.80 -1.32 0.00 2.72 0.00 -1.25 -4.74 105.19 102.41 1ssf n GLY 124 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -2.92 0.00 0.00 0.99 7.99 -1.21 -4.11 117.00 117.74 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 -0.60 -1.18 0.00 -0.72 0.00 -0.83 -4.62 105.19 97.24 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 0.41 -5.02 1.61 -0.04 -1.26 -4.64 135.00 126.06 1ssf n PRO 127 Ca 0.00 0.02 -0.32 0.00 -0.04 0.00 0.00 63.50 63.16 1ssf n PRO 127 Cb 0.00 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 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 -2.55 2.66 0.00 0.54 5.04 -1.26 -4.91 117.35 116.87 1ssf s TYR 128 Ca 0.27 -0.78 0.00 0.00 -2.44 0.00 0.00 57.07 54.12 1ssf s TYR 128 Cb 0.19 -1.75 0.00 0.00 0.35 0.00 0.00 41.96 40.75 1ssf s TYR 128 CO 0.42 -0.27 0.22 0.39 -1.34 0.00 0.00 175.55 174.97