#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1coz s LYS 2 N 0.00 3.25 0.03 2.12 2.20 -1.26 -4.96 119.74 121.12 1coz s LYS 2 Ca 0.00 -0.48 -0.18 0.00 -0.36 0.00 0.00 55.97 54.95 1coz s LYS 2 Cb 0.00 -4.10 -0.06 0.00 -1.51 0.00 0.00 37.83 32.16 1coz s LYS 2 CO 0.00 -1.51 0.52 0.15 -0.36 0.00 0.00 175.35 174.15 1coz s LYS 3 N 3.77 4.15 0.09 4.03 1.02 -1.26 0.06 119.74 131.60 1coz s LYS 3 Ca 0.26 0.63 0.10 0.00 0.02 0.00 0.00 55.97 56.98 1coz s LYS 3 Cb -0.14 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 1coz s LYS 3 CO 0.16 0.58 -0.26 0.08 -0.92 0.00 0.00 175.35 175.00 1coz s VAL 4 N -0.86 2.28 0.05 3.17 1.01 0.58 -0.69 120.40 125.95 1coz s VAL 4 Ca 0.28 -1.54 0.02 0.00 0.00 0.00 0.00 61.98 60.74 1coz s VAL 4 Cb -0.18 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1coz s VAL 4 CO 0.17 0.23 -0.08 -0.51 0.00 0.00 0.00 175.10 174.91 1coz s ILE 5 N -0.94 0.62 -0.00 2.22 2.07 -0.34 -1.00 121.20 123.82 1coz s ILE 5 Ca 0.13 -1.25 -0.19 0.00 -1.41 0.00 0.00 60.65 57.93 1coz s ILE 5 Cb -0.10 -0.83 0.04 0.00 0.13 0.00 0.00 42.46 41.69 1coz s ILE 5 CO 0.04 -0.45 0.42 0.28 -1.91 0.00 0.00 174.94 173.32 1coz s THR 6 N -1.76 0.05 0.10 4.00 -1.32 -1.02 -0.97 115.64 114.73 1coz s THR 6 Ca -0.06 -0.37 0.10 0.00 -1.21 0.00 0.00 61.69 60.15 1coz s THR 6 Cb -0.07 -0.80 -0.04 0.00 -1.51 0.00 0.00 72.50 70.08 1coz s THR 6 CO -0.00 -0.21 -0.25 -0.31 -2.21 0.00 0.00 174.62 171.64 1coz s TYR 7 N -1.66 2.15 -0.97 9.09 1.51 -1.26 -1.01 117.35 125.20 1coz s TYR 7 Ca -0.10 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 1coz s TYR 7 Cb -0.03 -1.20 0.00 0.00 -0.11 0.00 0.00 41.96 40.62 1coz s TYR 7 CO 0.03 0.25 0.00 0.41 -1.11 0.00 0.00 175.55 175.14 1coz n GLY 8 N 1.17 -1.39 0.13 0.71 0.00 -0.86 -4.96 105.19 99.99 1coz n GLY 8 Ca -0.18 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.65 1coz n GLY 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1coz n THR 9 N 0.39 1.40 -3.81 2.61 -1.04 -1.26 -2.11 114.28 110.46 1coz n THR 9 Ca 0.00 -0.53 -0.29 0.00 -2.04 0.00 0.00 64.05 61.19 1coz n THR 9 Cb 0.00 -1.39 0.02 0.00 -1.82 0.00 0.00 70.33 67.14 1coz n THR 9 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1coz n PHE 10 N -3.26 -1.77 0.02 -1.42 3.72 -1.26 -4.71 117.46 108.77 1coz n PHE 10 Ca -0.44 0.57 -0.02 0.00 -0.05 0.00 0.00 57.45 57.51 1coz n PHE 10 Cb 0.95 -3.58 -0.01 0.00 -0.94 0.00 0.00 39.48 35.91 1coz n PHE 10 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1coz h ASP 11 N -1.91 -0.11 -3.70 4.37 3.58 -1.95 -3.40 116.42 113.29 1coz h ASP 11 Ca -0.65 0.00 -0.72 0.00 0.42 0.00 0.00 57.03 56.08 1coz h ASP 11 Cb 1.37 0.03 -0.34 0.00 1.72 0.00 0.00 39.33 42.11 1coz h ASP 11 CO 0.54 0.20 -0.13 -0.76 -2.88 0.00 0.00 179.24 176.22 1coz s LEU 12 N -7.12 5.63 -0.35 2.28 1.43 -1.26 -4.56 118.68 114.72 1coz s LEU 12 Ca -0.02 -3.30 -0.43 0.00 -1.03 0.00 0.00 54.13 49.35 1coz s LEU 12 Cb 0.00 -1.94 -0.18 0.00 0.03 0.00 0.00 46.19 44.10 1coz s LEU 12 CO 0.06 -0.30 1.64 -0.11 0.23 0.00 0.00 176.35 177.87 1coz n LEU 13 N 2.93 1.73 -4.41 1.79 7.94 -1.26 -4.82 117.00 120.90 1coz n LEU 13 Ca 0.16 1.13 -0.21 0.00 -1.11 0.00 0.00 56.01 55.98 1coz n LEU 13 Cb 0.39 -1.02 -0.09 0.00 0.53 0.00 0.00 43.42 43.23 1coz n LEU 13 CO 0.36 -0.70 -0.22 -1.38 -1.11 0.00 0.00 177.39 174.34 1coz s HIS 14 N 3.05 1.72 0.62 1.96 -3.43 -1.26 -5.05 115.29 112.90 1coz s HIS 14 Ca 1.01 -1.24 0.34 0.00 -0.80 0.00 0.00 55.06 54.36 1coz s HIS 14 Cb -1.27 -1.04 1.94 0.00 -1.43 0.00 0.00 32.58 30.79 1coz s HIS 14 CO 0.72 -0.33 2.24 0.11 -2.00 0.00 0.00 174.74 175.48 1coz h TRP 15 N 2.09 0.00 -0.28 0.38 5.08 -1.99 -1.70 115.95 119.53 1coz h TRP 15 Ca -0.36 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.47 1coz h TRP 15 Cb 1.26 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.41 1coz h TRP 15 CO 1.01 0.00 -0.39 0.78 -1.28 0.00 0.00 178.44 178.56 1coz h GLY 16 N 0.00 0.83 1.00 11.11 0.00 -1.93 -1.88 103.07 112.20 1coz h GLY 16 Ca 0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 47.33 46.42 1coz h GLY 16 CO -0.00 0.82 0.33 0.45 0.00 0.00 0.00 176.54 178.14 1coz h HIS 17 N 0.51 0.93 -0.42 5.60 3.86 -1.73 -2.45 115.15 121.46 1coz h HIS 17 Ca 0.03 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1coz h HIS 17 Cb 0.98 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 1coz h HIS 17 CO 0.08 0.69 0.24 0.82 0.86 0.00 0.00 177.93 180.61 1coz h ILE 18 N 0.91 1.15 -0.07 2.45 1.08 -1.35 -1.34 117.51 120.33 1coz h ILE 18 Ca 0.23 -0.36 -0.05 0.00 -0.39 0.00 0.00 64.86 64.29 1coz h ILE 18 Cb 0.09 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 1coz h ILE 18 CO -0.03 0.15 -0.21 0.11 -0.69 0.00 0.00 178.15 177.48 1coz h LYS 19 N 0.55 0.12 0.02 2.37 1.79 -1.27 0.70 116.57 120.84 1coz h LYS 19 Ca 0.15 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1coz h LYS 19 Cb 0.03 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1coz h LYS 19 CO -0.03 0.32 -0.01 1.25 -1.08 0.00 0.00 179.45 179.91 1coz h LEU 20 N 0.11 -0.02 -1.47 2.94 7.12 -1.09 -2.13 115.31 120.77 1coz h LEU 20 Ca 0.02 -0.50 0.01 0.00 0.13 0.00 0.00 57.88 57.55 1coz h LEU 20 Cb 0.43 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.54 1coz h LEU 20 CO 0.03 0.49 0.36 -0.07 -0.13 0.00 0.00 178.44 179.13 1coz h LEU 21 N -0.53 0.61 0.12 2.25 3.38 -0.92 0.80 115.31 121.02 1coz h LEU 21 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1coz h LEU 21 Cb 0.51 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1coz h LEU 21 CO 0.00 0.44 -0.06 -0.08 0.09 0.00 0.00 178.44 178.84 1coz h GLU 22 N 0.72 -0.15 -0.35 1.13 4.81 -0.85 -2.04 114.58 117.85 1coz h GLU 22 Ca 0.21 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1coz h GLU 22 Cb -0.05 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1coz h GLU 22 CO -0.05 0.14 -0.16 0.00 -0.73 0.00 0.00 179.01 178.21 1coz h ARG 23 N -0.44 0.64 -0.25 1.92 3.08 -1.04 -2.47 114.38 115.82 1coz h ARG 23 Ca -0.02 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 1coz h ARG 23 Cb 0.36 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1coz h ARG 23 CO 0.03 0.77 0.07 0.00 -1.07 0.00 0.00 179.97 179.77 1coz h ALA 24 N 1.25 0.33 -0.86 0.04 0.00 -0.85 -2.96 119.26 116.20 1coz h ALA 24 Ca 0.09 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1coz h ALA 24 Cb 0.61 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1coz h ALA 24 CO 0.04 -0.03 0.57 -0.22 0.00 0.00 0.00 179.25 179.61 1coz h LYS 25 N 0.23 1.08 0.00 0.00 1.63 -1.27 -1.87 116.57 116.38 1coz h LYS 25 Ca 0.08 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1coz h LYS 25 Cb 0.27 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1coz h LYS 25 CO -0.00 0.72 0.00 0.00 -3.45 0.00 0.00 179.45 176.72 1coz n GLN 26 N -4.43 0.46 0.00 1.90 10.64 -0.94 -1.61 117.38 123.41 1coz n GLN 26 Ca 0.11 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.40 1coz n GLN 26 Cb 0.07 -1.47 0.17 0.00 -0.86 0.00 0.00 30.24 28.15 1coz n GLN 26 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1coz n LEU 27 N -0.97 2.25 0.00 2.61 4.32 -0.70 -5.00 117.00 119.51 1coz n LEU 27 Ca 0.10 -0.77 0.00 0.00 -0.02 0.00 0.00 56.01 55.33 1coz n LEU 27 Cb 0.05 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 1coz n LEU 27 CO 0.08 0.39 0.00 0.61 -1.22 0.00 0.00 177.39 177.25 1coz n GLY 28 N 1.34 3.19 0.00 -0.72 0.00 -0.63 -4.96 105.19 103.41 1coz n GLY 28 Ca 0.13 -0.74 0.03 0.00 0.00 0.00 0.00 46.02 45.45 1coz n GLY 28 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1coz n ASP 29 N 0.00 2.36 -3.72 1.61 8.00 0.11 -4.96 116.55 119.95 1coz n ASP 29 Ca 0.00 -0.22 -0.12 0.00 0.71 0.00 0.00 54.79 55.15 1coz n ASP 29 Cb 0.00 1.21 -0.13 0.00 -0.02 0.00 0.00 41.12 42.18 1coz n ASP 29 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1coz s TYR 30 N -2.20 -0.36 -0.19 1.24 6.14 -1.07 -4.98 117.35 115.92 1coz s TYR 30 Ca -0.01 0.85 -0.02 0.00 0.64 0.00 0.00 57.07 58.53 1coz s TYR 30 Cb 0.05 0.06 -0.00 0.00 0.42 0.00 0.00 41.96 42.48 1coz s TYR 30 CO 0.28 -0.26 -0.09 -1.17 0.64 0.00 0.00 175.55 174.95 1coz s LEU 31 N 1.40 2.69 -0.15 6.97 2.96 -1.26 -0.31 118.68 130.99 1coz s LEU 31 Ca -0.08 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.35 1coz s LEU 31 Cb -0.10 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 1coz s LEU 31 CO -0.09 0.02 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.26 1coz s VAL 32 N 1.23 4.17 -0.20 1.68 1.01 -0.17 -0.95 120.40 127.16 1coz s VAL 32 Ca 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1coz s VAL 32 Cb -0.14 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.42 1coz s VAL 32 CO -0.04 0.50 -0.11 -0.69 0.00 0.00 0.00 175.10 174.76 1coz s VAL 33 N 0.15 2.75 -0.28 2.92 1.01 0.25 -2.42 120.40 124.78 1coz s VAL 33 Ca 0.00 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 1coz s VAL 33 Cb -0.13 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1coz s VAL 33 CO 0.02 0.46 0.34 0.00 0.00 0.00 0.00 175.10 175.92 1coz s ALA 34 N 1.38 3.55 -0.02 5.51 0.00 -0.18 -1.01 121.76 131.00 1coz s ALA 34 Ca 0.05 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.14 1coz s ALA 34 Cb -0.14 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 1coz s ALA 34 CO -0.08 -0.69 -0.16 0.96 0.00 0.00 0.00 175.76 175.79 1coz s ILE 35 N 2.01 2.91 0.15 0.00 -4.36 -0.53 -2.03 121.20 119.35 1coz s ILE 35 Ca 0.13 -0.91 -0.34 0.00 -0.26 0.00 0.00 60.65 59.27 1coz s ILE 35 Cb -0.16 -2.16 -0.14 0.00 1.25 0.00 0.00 42.46 41.25 1coz s ILE 35 CO 0.10 0.50 1.54 -1.20 0.24 0.00 0.00 174.94 176.12 1coz n SER 36 N 2.04 2.85 -4.82 4.36 7.64 -0.90 -0.46 113.62 124.34 1coz n SER 36 Ca -0.17 1.09 -0.30 0.00 1.01 0.00 0.00 58.87 60.51 1coz n SER 36 Cb 0.52 -1.39 0.10 0.00 -1.01 0.00 0.00 64.21 62.43 1coz n SER 36 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1coz s THR 37 N 0.82 2.69 0.32 0.44 -4.23 -0.83 -4.81 115.64 110.04 1coz s THR 37 Ca 0.79 0.23 0.09 0.00 -1.18 0.00 0.00 61.69 61.61 1coz s THR 37 Cb -0.72 -3.04 0.06 0.00 1.34 0.00 0.00 72.50 70.14 1coz s THR 37 CO 0.40 -0.29 1.76 0.44 -0.54 0.00 0.00 174.62 176.38 1coz h ASP 38 N -1.13 0.18 -0.54 3.99 3.32 -1.93 -1.53 116.42 118.77 1coz h ASP 38 Ca -0.48 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.43 1coz h ASP 38 Cb 1.29 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 1coz h ASP 38 CO 0.62 0.54 0.05 -0.33 -1.72 0.00 0.00 179.24 178.39 1coz h GLU 39 N 0.15 0.91 -0.50 3.56 3.07 -1.96 -0.74 114.58 119.08 1coz h GLU 39 Ca 0.02 -0.27 -0.11 0.00 -0.50 0.00 0.00 59.36 58.50 1coz h GLU 39 Cb 0.73 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.53 1coz h GLU 39 CO 0.05 0.91 -0.12 0.35 -1.40 0.00 0.00 179.01 178.81 1coz h PHE 40 N 0.79 1.07 -0.83 4.33 3.57 -1.76 -1.73 116.94 122.39 1coz h PHE 40 Ca 0.16 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1coz h PHE 40 Cb 0.47 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1coz h PHE 40 CO 0.03 1.03 0.53 -0.91 -2.23 0.00 0.00 178.31 176.76 1coz h ASN 41 N 0.81 0.97 -0.56 0.41 -0.26 -1.03 0.52 115.58 116.45 1coz h ASN 41 Ca 0.13 -0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.79 1coz h ASN 41 Cb 0.68 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.67 1coz h ASN 41 CO 0.05 0.72 0.22 0.25 -1.06 0.00 0.00 177.43 177.61 1coz h LEU 42 N 1.13 0.78 -1.51 1.61 6.46 -0.66 0.49 115.31 123.62 1coz h LEU 42 Ca 0.30 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.87 1coz h LEU 42 Cb -0.09 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.62 1coz h LEU 42 CO -0.06 0.74 0.11 1.56 -0.62 0.00 0.00 178.44 180.18 1coz h GLN 43 N 0.78 0.44 -0.01 1.25 4.20 -0.48 -1.10 115.11 120.19 1coz h GLN 43 Ca 0.19 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1coz h GLN 43 Cb 0.21 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1coz h GLN 43 CO -0.01 0.38 -0.15 1.63 -0.67 0.00 0.00 178.83 180.00 1coz n LYS 44 N -4.40 0.90 -3.08 1.46 5.02 0.10 -4.92 118.16 113.23 1coz n LYS 44 Ca 0.02 -0.43 -0.22 0.00 -2.02 0.00 0.00 58.31 55.65 1coz n LYS 44 Cb 0.14 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1coz n LYS 44 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1coz n GLN 45 N -0.67 -4.04 -3.77 1.97 6.02 0.06 -4.94 117.38 112.01 1coz n GLN 45 Ca 0.14 0.73 -0.29 0.00 -0.01 0.00 0.00 57.00 57.57 1coz n GLN 45 Cb 0.31 -5.51 -0.13 0.00 1.02 0.00 0.00 30.24 25.93 1coz n GLN 45 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1coz s LYS 46 N -5.75 1.57 -0.00 -1.09 2.47 -0.59 -5.03 119.74 111.32 1coz s LYS 46 Ca 0.31 -2.32 -0.30 0.00 -1.56 0.00 0.00 55.97 52.10 1coz s LYS 46 Cb -0.15 -2.64 -0.03 0.00 -1.46 0.00 0.00 37.83 33.55 1coz s LYS 46 CO 0.38 -1.18 1.00 0.21 0.16 0.00 0.00 175.35 175.92 1coz s LYS 47 N -0.03 4.54 0.15 4.03 2.36 -1.26 -4.63 119.74 124.89 1coz s LYS 47 Ca 0.19 1.45 -0.17 0.00 -2.55 0.00 0.00 55.97 54.89 1coz s LYS 47 Cb -0.21 -3.46 -0.07 0.00 -1.05 0.00 0.00 37.83 33.04 1coz s LYS 47 CO -0.03 -0.09 0.61 0.00 1.55 0.00 0.00 175.35 177.39 1coz s ALA 48 N 1.09 3.53 0.04 3.13 0.00 -1.26 -5.00 121.76 123.29 1coz s ALA 48 Ca 0.52 0.00 -0.24 0.00 0.00 0.00 0.00 51.96 52.24 1coz s ALA 48 Cb -0.22 -2.64 -0.17 0.00 0.00 0.00 0.00 23.12 20.09 1coz s ALA 48 CO 0.27 0.40 1.52 -0.92 0.00 0.00 0.00 175.76 177.03 1coz h TYR 49 N 3.77 -0.02 -3.32 0.00 3.20 -1.96 -3.43 116.97 115.21 1coz h TYR 49 Ca -0.49 -0.00 -0.56 0.00 3.14 0.00 0.00 58.73 60.82 1coz h TYR 49 Cb 1.20 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.44 1coz h TYR 49 CO 0.65 0.21 -0.06 -1.01 -1.64 0.00 0.00 178.16 176.31 1coz s HIS 50 N -5.29 3.65 0.95 -3.82 3.76 -1.26 -5.07 115.29 108.21 1coz s HIS 50 Ca -0.14 1.12 -0.12 0.00 -0.15 0.00 0.00 55.06 55.77 1coz s HIS 50 Cb 0.04 -2.41 0.16 0.00 1.11 0.00 0.00 32.58 31.48 1coz s HIS 50 CO 0.66 0.46 1.09 -1.54 -0.85 0.00 0.00 174.74 174.56 1coz s SER 51 N -1.59 2.93 0.18 1.40 1.04 -1.26 -4.73 113.70 111.67 1coz s SER 51 Ca 0.36 1.53 -0.13 0.00 0.48 0.00 0.00 55.95 58.19 1coz s SER 51 Cb -0.16 -2.20 0.10 0.00 0.10 0.00 0.00 66.02 63.86 1coz s SER 51 CO 0.19 -2.99 1.83 0.22 0.98 0.00 0.00 173.24 173.47 1coz h TYR 52 N -1.79 0.64 -0.90 5.02 3.20 -1.94 0.08 116.97 121.27 1coz h TYR 52 Ca -0.51 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.39 1coz h TYR 52 Cb 1.29 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 39.31 1coz h TYR 52 CO 0.39 0.37 0.60 0.93 -1.64 0.00 0.00 178.16 178.82 1coz h GLU 53 N 0.68 1.18 0.00 1.82 4.39 -1.97 -0.96 114.58 119.72 1coz h GLU 53 Ca 0.21 -0.07 -0.20 0.00 0.34 0.00 0.00 59.36 59.64 1coz h GLU 53 Cb -0.01 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.35 1coz h GLU 53 CO -0.08 0.78 -0.95 0.45 -1.16 0.00 0.00 179.01 178.05 1coz h HIS 54 N 1.21 0.00 -0.31 4.33 3.86 -1.82 -2.21 115.15 120.22 1coz h HIS 54 Ca 0.33 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.39 1coz h HIS 54 Cb -0.12 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1coz h HIS 54 CO -0.00 0.95 -0.42 0.00 0.86 0.00 0.00 177.93 179.32 1coz h ARG 55 N 0.00 0.76 -0.08 2.45 3.08 -0.70 -2.38 114.38 117.52 1coz h ARG 55 Ca -0.01 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.61 1coz h ARG 55 Cb 1.71 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.77 1coz h ARG 55 CO 0.12 1.03 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.80 1coz h LYS 56 N 0.62 0.16 -0.46 0.04 3.64 -1.23 -1.60 116.57 117.75 1coz h LYS 56 Ca 0.05 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.44 1coz h LYS 56 Cb 0.97 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.71 1coz h LYS 56 CO 0.09 0.53 0.00 1.25 -2.27 0.00 0.00 179.45 179.05 1coz h LEU 57 N -0.21 -0.19 -0.53 5.20 6.46 -1.40 0.13 115.31 124.78 1coz h LEU 57 Ca 0.02 0.11 -0.14 0.00 -0.12 0.00 0.00 57.88 57.74 1coz h LEU 57 Cb 0.48 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 1coz h LEU 57 CO 0.01 -0.06 -0.33 0.40 -0.62 0.00 0.00 178.44 177.84 1coz h ILE 58 N 0.12 1.28 -0.21 4.05 2.04 -1.43 -3.12 117.51 120.24 1coz h ILE 58 Ca 0.23 -1.50 -0.07 0.00 1.00 0.00 0.00 64.86 64.52 1coz h ILE 58 Cb 0.34 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1coz h ILE 58 CO -0.38 0.50 -0.20 -0.07 0.00 0.00 0.00 178.15 178.00 1coz h LEU 59 N 0.69 0.36 -0.56 1.44 3.38 -0.61 -2.57 115.31 117.44 1coz h LEU 59 Ca 0.07 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1coz h LEU 59 Cb 0.89 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1coz h LEU 59 CO 0.08 0.57 0.00 -0.62 0.09 0.00 0.00 178.44 178.56 1coz n GLU 60 N -4.18 0.12 0.00 1.13 1.02 -0.03 -2.30 120.64 116.40 1coz n GLU 60 Ca -0.00 0.42 0.11 0.00 -0.02 0.00 0.00 57.16 57.67 1coz n GLU 60 Cb 0.35 -1.75 0.09 0.00 -0.02 0.00 0.00 31.44 30.11 1coz n GLU 60 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1coz n THR 61 N -1.98 0.00 -2.48 2.62 -2.24 -0.97 -4.89 114.28 104.34 1coz n THR 61 Ca 0.02 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 1coz n THR 61 Cb 0.16 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 1coz n THR 61 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1coz s ILE 62 N -2.86 4.08 0.38 2.28 -1.09 -0.97 -4.92 121.20 118.08 1coz s ILE 62 Ca 0.13 1.58 0.13 0.00 -2.23 0.00 0.00 60.65 60.25 1coz s ILE 62 Cb 0.17 -4.01 0.35 0.00 -1.58 0.00 0.00 42.46 37.39 1coz s ILE 62 CO 0.72 0.17 1.85 0.03 -1.23 0.00 0.00 174.94 176.48 1coz h ARG 63 N 6.25 0.55 0.00 2.79 3.08 -1.90 -2.23 114.38 122.92 1coz h ARG 63 Ca -0.42 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.57 1coz h ARG 63 Cb 1.21 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 1coz h ARG 63 CO 0.78 0.36 -0.12 1.88 -1.07 0.00 0.00 179.97 181.80 1coz h TYR 64 N 0.56 0.00 -3.42 3.04 0.05 -1.91 -3.44 116.97 111.85 1coz h TYR 64 Ca 0.48 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.67 1coz h TYR 64 Cb 0.97 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.62 1coz h TYR 64 CO -0.00 0.12 0.02 0.08 -1.05 0.00 0.00 178.16 177.33 1coz s VAL 65 N -3.56 5.08 -0.17 -2.88 1.01 -0.84 -4.47 120.40 114.57 1coz s VAL 65 Ca 0.02 1.09 0.07 0.00 0.00 0.00 0.00 61.98 63.17 1coz s VAL 65 Cb 0.09 -3.90 -0.23 0.00 0.00 0.00 0.00 36.38 32.34 1coz s VAL 65 CO 0.61 0.18 0.17 0.47 0.00 0.00 0.00 175.10 176.53 1coz n ASP 66 N 4.64 1.16 -3.66 3.32 8.00 -0.13 -4.85 116.55 125.04 1coz n ASP 66 Ca -0.03 0.09 -0.15 0.00 0.71 0.00 0.00 54.79 55.40 1coz n ASP 66 Cb 0.50 0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.54 1coz n ASP 66 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1coz s GLU 67 N -2.53 0.80 -0.11 -1.24 2.12 -0.90 -5.01 118.70 111.84 1coz s GLU 67 Ca -0.18 0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.26 1coz s GLU 67 Cb 0.07 0.37 0.02 0.00 0.26 0.00 0.00 34.13 34.85 1coz s GLU 67 CO 0.75 -0.22 -0.14 0.08 -0.54 0.00 0.00 175.26 175.19 1coz s VAL 68 N -1.06 1.41 0.27 3.70 1.01 -1.26 -0.58 120.40 123.89 1coz s VAL 68 Ca -0.11 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.39 1coz s VAL 68 Cb -0.03 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1coz s VAL 68 CO 0.06 0.43 -0.16 0.27 0.00 0.00 0.00 175.10 175.69 1coz s ILE 69 N 1.06 2.19 0.21 2.22 -4.36 -0.18 -4.95 121.20 117.39 1coz s ILE 69 Ca -0.05 -2.31 -0.28 0.00 -0.26 0.00 0.00 60.65 57.75 1coz s ILE 69 Cb -0.15 -2.29 -0.09 0.00 1.25 0.00 0.00 42.46 41.19 1coz s ILE 69 CO -0.02 -0.42 0.87 -2.16 0.24 0.00 0.00 174.94 173.45 1coz s PRO 70 N -3.58 4.74 -0.37 0.37 0.04 -1.26 -1.45 135.00 133.49 1coz s PRO 70 Ca 0.28 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 1coz s PRO 70 Cb -0.02 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.27 1coz s PRO 70 CO 0.13 0.54 0.21 -2.00 0.04 0.00 0.00 177.00 175.91 1coz s GLU 71 N -1.18 2.90 -0.07 4.56 2.12 0.39 -4.73 118.70 122.69 1coz s GLU 71 Ca 0.39 -1.03 0.19 0.00 0.36 0.00 0.00 54.97 54.89 1coz s GLU 71 Cb -0.25 -3.72 -0.29 0.00 0.26 0.00 0.00 34.13 30.13 1coz s GLU 71 CO 0.30 -0.66 0.33 1.63 -0.54 0.00 0.00 175.26 176.31 1coz n LYS 72 N 5.01 0.71 -3.87 4.30 5.02 -1.26 -1.97 118.16 126.08 1coz n LYS 72 Ca -0.12 -0.13 -0.08 0.00 -2.02 0.00 0.00 58.31 55.96 1coz n LYS 72 Cb 0.46 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.98 1coz n LYS 72 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1coz s ASN 73 N -4.62 -0.12 0.30 4.39 2.20 -1.26 -4.57 114.94 111.25 1coz s ASN 73 Ca -0.08 -0.84 0.15 0.00 -0.94 0.00 0.00 52.86 51.16 1coz s ASN 73 Cb 0.11 0.74 0.29 0.00 -2.00 0.00 0.00 41.25 40.39 1coz s ASN 73 CO 0.82 -1.42 1.55 -0.50 -2.94 0.00 0.00 177.10 174.61 1coz h TRP 74 N 2.04 0.00 0.00 1.54 4.06 -2.01 -3.33 115.95 118.24 1coz h TRP 74 Ca -0.24 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.71 1coz h TRP 74 Cb 1.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.41 1coz h TRP 74 CO 0.73 0.52 -0.17 0.39 -3.56 0.00 0.00 178.44 176.35 1coz n GLU 75 N -3.39 0.06 0.14 0.49 -0.58 -1.26 -4.28 120.64 111.82 1coz n GLU 75 Ca 0.01 0.04 0.12 0.00 -0.42 0.00 0.00 57.16 56.91 1coz n GLU 75 Cb 0.67 -1.56 0.50 0.00 -0.57 0.00 0.00 31.44 30.48 1coz n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1coz n GLN 76 N -1.66 0.21 -0.19 3.49 10.64 -1.25 -4.23 117.38 124.37 1coz n GLN 76 Ca 0.06 0.43 -0.01 0.00 -1.83 0.00 0.00 57.00 55.65 1coz n GLN 76 Cb 0.36 -1.89 0.07 0.00 -0.86 0.00 0.00 30.24 27.92 1coz n GLN 76 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 1coz h LYS 77 N 0.00 0.05 -0.84 2.61 1.57 -1.86 -1.86 116.57 116.24 1coz h LYS 77 Ca 0.00 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1coz h LYS 77 Cb 0.38 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 1coz h LYS 77 CO 0.00 0.03 0.38 -0.22 -0.57 0.00 0.00 179.45 179.08 1coz h LYS 78 N 0.05 1.22 -0.01 3.15 3.64 -1.94 -2.43 116.57 120.26 1coz h LYS 78 Ca 0.29 -0.19 -0.13 0.00 -1.27 0.00 0.00 60.65 59.35 1coz h LYS 78 Cb 0.46 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1coz h LYS 78 CO -0.56 0.95 -0.61 0.37 -2.27 0.00 0.00 179.45 177.33 1coz h GLN 79 N 1.21 0.02 -0.36 1.90 5.75 -1.77 -2.75 115.11 119.11 1coz h GLN 79 Ca 0.29 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.73 1coz h GLN 79 Cb 0.15 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 1coz h GLN 79 CO -0.03 0.63 0.07 -0.44 -2.65 0.00 0.00 178.83 176.41 1coz h ASP 80 N 0.01 0.56 -0.72 -0.69 3.32 -1.08 0.57 116.42 118.39 1coz h ASP 80 Ca -0.01 -0.25 0.06 0.00 0.02 0.00 0.00 57.03 56.85 1coz h ASP 80 Cb 1.09 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.45 1coz h ASP 80 CO 0.08 0.67 0.47 0.40 -1.72 0.00 0.00 179.24 179.14 1coz h ILE 81 N 0.43 1.04 0.11 0.35 5.03 -1.33 0.01 117.51 123.15 1coz h ILE 81 Ca 0.11 -0.27 -0.01 0.00 -0.12 0.00 0.00 64.86 64.58 1coz h ILE 81 Cb 0.34 0.20 0.00 0.00 -3.03 0.00 0.00 36.82 34.32 1coz h ILE 81 CO 0.00 0.14 -0.05 0.40 -0.68 0.00 0.00 178.15 177.96 1coz h ILE 82 N 0.77 0.66 -0.81 -0.67 2.04 -1.18 -0.98 117.51 117.35 1coz h ILE 82 Ca 0.31 -1.26 0.13 0.00 1.00 0.00 0.00 64.86 65.03 1coz h ILE 82 Cb 0.22 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 1coz h ILE 82 CO -0.10 0.20 0.53 0.44 0.00 0.00 0.00 178.15 179.22 1coz h ASP 83 N -0.97 0.55 -0.43 1.72 3.32 0.26 -2.49 116.42 118.39 1coz h ASP 83 Ca -0.02 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1coz h ASP 83 Cb 0.44 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1coz h ASP 83 CO 0.02 0.30 0.00 1.41 -1.72 0.00 0.00 179.24 179.25 1coz n HIS 84 N -4.52 0.57 -3.83 4.55 8.25 -0.02 -4.98 115.22 115.24 1coz n HIS 84 Ca 0.15 -0.42 -0.28 0.00 -0.26 0.00 0.00 57.72 56.91 1coz n HIS 84 Cb 0.45 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.56 1coz n HIS 84 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1coz n ASN 85 N 0.98 -2.54 -4.74 0.41 3.02 -0.94 -4.90 115.26 106.54 1coz n ASN 85 Ca 0.16 -1.01 -0.41 0.00 -0.03 0.00 0.00 54.58 53.29 1coz n ASN 85 Cb 0.49 -3.20 -0.04 0.00 -0.61 0.00 0.00 39.78 36.42 1coz n ASN 85 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1coz s ILE 86 N -3.72 3.77 -0.17 2.41 -1.09 -0.40 -4.58 121.20 117.41 1coz s ILE 86 Ca 0.21 1.60 0.11 0.00 -2.23 0.00 0.00 60.65 60.34 1coz s ILE 86 Cb -0.08 -4.02 -0.18 0.00 -1.58 0.00 0.00 42.46 36.60 1coz s ILE 86 CO 0.88 0.31 0.00 0.47 -1.23 0.00 0.00 174.94 175.37 1coz n ASP 87 N 2.04 1.35 -4.02 3.58 8.00 0.13 -4.75 116.55 122.89 1coz n ASP 87 Ca 0.02 -0.02 -0.23 0.00 0.71 0.00 0.00 54.79 55.26 1coz n ASP 87 Cb 0.46 0.63 -0.16 0.00 -0.02 0.00 0.00 41.12 42.03 1coz n ASP 87 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1coz s VAL 88 N -2.39 1.02 -0.20 2.53 1.01 -0.37 -0.99 120.40 121.01 1coz s VAL 88 Ca -0.12 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 1coz s VAL 88 Cb 0.05 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 1coz s VAL 88 CO 0.61 0.32 -0.08 0.12 0.00 0.00 0.00 175.10 176.07 1coz s PHE 89 N 0.50 2.91 -0.05 5.22 2.19 0.13 -1.20 117.98 127.67 1coz s PHE 89 Ca -0.10 -0.98 0.06 0.00 0.33 0.00 0.00 56.93 56.24 1coz s PHE 89 Cb -0.13 -2.03 -0.01 0.00 -1.31 0.00 0.00 43.02 39.54 1coz s PHE 89 CO 0.02 -0.52 -0.25 0.08 1.83 0.00 0.00 175.22 176.39 1coz s VAL 90 N 1.22 2.04 0.10 3.12 1.01 -0.14 -0.27 120.40 127.47 1coz s VAL 90 Ca 0.02 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 1coz s VAL 90 Cb -0.14 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1coz s VAL 90 CO -0.03 0.57 0.09 -0.04 0.00 0.00 0.00 175.10 175.69 1coz s MET 91 N -0.19 0.83 0.60 2.72 -1.94 -0.63 -4.25 119.30 116.44 1coz s MET 91 Ca -0.03 -1.22 -0.17 0.00 -1.71 0.00 0.00 55.69 52.56 1coz s MET 91 Cb -0.13 0.27 -0.03 0.00 2.01 0.00 0.00 34.83 36.95 1coz s MET 91 CO 0.03 -0.23 1.11 0.20 -0.01 0.00 0.00 175.02 176.12 1coz s GLY 92 N -2.95 2.35 0.00 -0.03 0.00 -1.26 -0.78 107.32 104.65 1coz s GLY 92 Ca 0.13 0.64 0.10 0.00 0.00 0.00 0.00 44.72 45.58 1coz s GLY 92 CO -0.05 0.99 1.15 2.09 0.00 0.00 0.00 173.10 177.28 1coz n ASP 93 N -1.89 0.00 0.00 1.64 5.75 0.30 -1.39 116.55 120.95 1coz n ASP 93 Ca 0.11 0.03 0.12 0.00 -0.01 0.00 0.00 54.79 55.04 1coz n ASP 93 Cb 0.52 -0.21 0.69 0.00 -1.03 0.00 0.00 41.12 41.08 1coz n ASP 93 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1coz n ASP 94 N -1.21 0.00 -0.11 -1.12 5.75 -1.26 -1.85 116.55 116.75 1coz n ASP 94 Ca 0.05 -0.68 0.01 0.00 -0.01 0.00 0.00 54.79 54.17 1coz n ASP 94 Cb 0.07 -0.03 0.02 0.00 -1.03 0.00 0.00 41.12 40.15 1coz n ASP 94 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1coz n TRP 95 N -1.03 0.05 -1.44 2.11 7.02 -0.49 -5.05 117.44 118.61 1coz n TRP 95 Ca 0.17 -0.27 -0.60 0.00 -1.02 0.00 0.00 57.50 55.79 1coz n TRP 95 Cb 0.09 -0.02 -0.10 0.00 -2.42 0.00 0.00 31.31 28.86 1coz n TRP 95 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1coz n GLU 96 N -0.10 0.34 0.00 -0.99 4.07 -0.77 -0.91 120.64 122.28 1coz n GLU 96 Ca 0.02 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.23 1coz n GLU 96 Cb 0.18 -1.75 0.00 0.00 -0.06 0.00 0.00 31.44 29.80 1coz n GLU 96 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1coz n GLY 97 N 6.21 2.26 0.13 8.31 0.00 -1.26 -4.92 105.19 115.92 1coz n GLY 97 Ca 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.45 1coz n GLY 97 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1coz h LYS 98 N 2.77 0.00 -0.25 1.61 3.64 -1.44 -3.26 116.57 119.64 1coz h LYS 98 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1coz h LYS 98 Cb 0.00 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1coz h LYS 98 CO 0.00 0.63 -0.04 1.19 -2.27 0.00 0.00 179.45 178.96 1coz n PHE 99 N -3.71 0.85 0.26 1.91 3.72 -1.26 -4.67 117.46 114.55 1coz n PHE 99 Ca -0.01 -1.20 0.04 0.00 -0.05 0.00 0.00 57.45 56.24 1coz n PHE 99 Cb 0.64 -0.36 0.19 0.00 -0.94 0.00 0.00 39.48 39.01 1coz n PHE 99 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1coz n ASP 100 N -0.90 0.05 0.00 4.37 9.92 -1.23 -1.98 116.55 126.78 1coz n ASP 100 Ca 0.25 0.52 0.12 0.00 -0.53 0.00 0.00 54.79 55.15 1coz n ASP 100 Cb 0.91 -0.53 0.52 0.00 -0.64 0.00 0.00 41.12 41.38 1coz n ASP 100 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1coz n PHE 101 N -1.56 0.00 1.38 1.24 -1.74 -1.26 -2.56 117.46 112.96 1coz n PHE 101 Ca 0.02 0.00 0.14 0.00 -0.56 0.00 0.00 57.45 57.04 1coz n PHE 101 Cb 0.09 -0.49 0.49 0.00 1.52 0.00 0.00 39.48 41.09 1coz n PHE 101 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1coz n LEU 102 N -1.49 1.00 0.30 5.98 4.77 -0.84 -4.32 117.00 122.40 1coz n LEU 102 Ca 0.06 -0.26 0.20 0.00 -0.03 0.00 0.00 56.01 55.98 1coz n LEU 102 Cb 0.28 -0.10 1.06 0.00 -2.33 0.00 0.00 43.42 42.33 1coz n LEU 102 CO 0.22 0.18 1.11 0.11 -1.33 0.00 0.00 177.39 177.68 1coz h LYS 103 N 1.34 0.00 -0.01 3.23 1.57 -1.65 -0.58 116.57 120.47 1coz h LYS 103 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1coz h LYS 103 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1coz h LYS 103 CO 0.00 0.00 -0.12 -0.40 -0.57 0.00 0.00 179.45 178.36 1coz n ASP 104 N -2.93 0.70 -0.02 0.86 5.75 -1.26 -3.91 116.55 115.74 1coz n ASP 104 Ca -0.02 -0.80 0.00 0.00 -0.01 0.00 0.00 54.79 53.96 1coz n ASP 104 Cb 0.09 -0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.12 1coz n ASP 104 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1coz n GLN 105 N -0.73 1.50 -3.81 0.11 6.02 -0.28 -5.10 117.38 115.09 1coz n GLN 105 Ca 0.15 -0.03 -0.03 0.00 -0.01 0.00 0.00 57.00 57.07 1coz n GLN 105 Cb 0.29 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.39 1coz n GLN 105 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1coz s GLU 107 N -2.69 4.80 -0.18 0.00 2.02 -0.16 -4.14 118.70 118.35 1coz s GLU 107 Ca 0.17 1.53 -0.00 0.00 0.02 0.00 0.00 54.97 56.68 1coz s GLU 107 Cb -0.02 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.93 1coz s GLU 107 CO 0.04 0.42 -0.14 0.08 0.02 0.00 0.00 175.26 175.68 1coz s VAL 108 N -0.96 2.67 -0.06 2.63 1.01 -1.26 0.19 120.40 124.61 1coz s VAL 108 Ca 0.43 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1coz s VAL 108 Cb -0.26 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1coz s VAL 108 CO 0.33 0.50 -0.14 -0.69 0.00 0.00 0.00 175.10 175.10 1coz s VAL 109 N 1.07 1.26 -0.27 2.92 1.01 0.62 -4.96 120.40 122.06 1coz s VAL 109 Ca -0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 1coz s VAL 109 Cb -0.14 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.11 1coz s VAL 109 CO -0.04 0.38 0.05 -0.31 0.00 0.00 0.00 175.10 175.18 1coz s TYR 110 N 0.48 3.10 -0.11 5.22 2.02 -1.26 -1.61 117.35 125.19 1coz s TYR 110 Ca -0.12 -0.92 -0.07 0.00 -0.37 0.00 0.00 57.07 55.58 1coz s TYR 110 Cb -0.15 -2.21 -0.04 0.00 -0.40 0.00 0.00 41.96 39.16 1coz s TYR 110 CO 0.04 -0.55 0.16 -0.51 -1.57 0.00 0.00 175.55 173.12 1coz s LEU 111 N 1.50 4.40 0.26 -1.29 1.43 0.04 -4.66 118.68 120.36 1coz s LEU 111 Ca 0.04 0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 53.34 1coz s LEU 111 Cb -0.16 -2.11 -0.10 0.00 0.03 0.00 0.00 46.19 43.85 1coz s LEU 111 CO 0.01 0.40 1.38 -2.16 0.23 0.00 0.00 176.35 176.21 1coz s PRO 112 N -1.04 4.32 0.85 1.29 0.04 -1.26 -0.54 135.00 138.65 1coz s PRO 112 Ca 0.16 2.23 -0.11 0.00 0.04 0.00 0.00 61.00 63.32 1coz s PRO 112 Cb -0.12 -3.11 0.10 0.00 0.04 0.00 0.00 34.50 31.40 1coz s PRO 112 CO 0.05 -0.32 1.10 1.03 0.04 0.00 0.00 177.00 178.90 1coz s ARG 113 N -0.75 1.64 -0.18 4.56 0.52 -1.26 -4.88 118.95 118.60 1coz s ARG 113 Ca 0.56 1.16 -0.24 0.00 -0.52 0.00 0.00 55.73 56.69 1coz s ARG 113 Cb -0.40 -1.83 -0.02 0.00 0.52 0.00 0.00 34.95 33.22 1coz s ARG 113 CO 0.45 -2.08 0.77 0.99 0.02 0.00 0.00 175.30 175.46 1coz s THR 114 N -2.84 4.92 0.55 0.02 2.01 -1.26 -5.04 115.64 114.00 1coz s THR 114 Ca 0.63 1.50 -0.19 0.00 0.31 0.00 0.00 61.69 63.94 1coz s THR 114 Cb -0.19 -4.08 -0.06 0.00 0.01 0.00 0.00 72.50 68.18 1coz s THR 114 CO 0.57 0.05 1.13 -1.61 -0.69 0.00 0.00 174.62 174.07 1coz s GLU 115 N 2.07 3.34 -0.16 4.92 0.41 -1.26 -4.03 118.70 123.99 1coz s GLU 115 Ca 0.36 1.59 0.00 0.00 -0.41 0.00 0.00 54.97 56.51 1coz s GLU 115 Cb -0.16 -2.01 0.00 0.00 -1.78 0.00 0.00 34.13 30.18 1coz s GLU 115 CO 0.12 -0.85 0.00 0.41 -0.49 0.00 0.00 175.26 174.45 1coz n GLY 116 N 0.11 0.50 3.44 -1.39 0.00 -1.26 -5.02 105.19 101.57 1coz n GLY 116 Ca 0.11 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 1coz n GLY 116 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1coz s ILE 117 N -1.92 -0.00 0.06 -0.61 1.10 -1.26 -5.11 121.20 113.47 1coz s ILE 117 Ca 0.00 0.01 -0.27 0.00 -0.51 0.00 0.00 60.65 59.88 1coz s ILE 117 Cb 0.00 -0.76 0.09 0.00 0.15 0.00 0.00 42.46 41.94 1coz s ILE 117 CO 0.00 0.01 0.84 -0.94 -2.11 0.00 0.00 174.94 172.74 1coz s SER 118 N 0.56 -0.37 0.29 4.50 1.04 -1.26 -4.88 113.70 113.58 1coz s SER 118 Ca -0.02 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1coz s SER 118 Cb -0.04 0.45 0.43 0.00 0.10 0.00 0.00 66.02 66.96 1coz s SER 118 CO -0.03 -0.76 1.81 0.74 0.98 0.00 0.00 173.24 175.98 1coz h THR 119 N 2.00 1.23 -0.24 2.02 2.02 -2.00 -2.78 112.91 115.15 1coz h THR 119 Ca -0.25 -0.91 -0.16 0.00 0.77 0.00 0.00 66.41 65.86 1coz h THR 119 Cb 1.25 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1coz h THR 119 CO 0.31 0.32 -0.51 0.71 0.37 0.00 0.00 175.52 176.72 1coz h THR 120 N 0.66 1.30 -0.79 3.16 1.35 -1.99 -2.36 112.91 114.24 1coz h THR 120 Ca 0.14 -1.72 -0.02 0.00 -0.55 0.00 0.00 66.41 64.26 1coz h THR 120 Cb 0.39 1.66 -0.04 0.00 -1.73 0.00 0.00 68.15 68.43 1coz h THR 120 CO 0.01 0.55 0.41 0.50 -0.25 0.00 0.00 175.52 176.75 1coz h LYS 121 N 0.54 1.11 -0.21 4.72 3.64 -1.95 0.46 116.57 124.88 1coz h LYS 121 Ca 0.02 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1coz h LYS 121 Cb 1.07 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1coz h LYS 121 CO 0.10 0.83 0.13 0.82 -2.27 0.00 0.00 179.45 179.06 1coz h ILE 122 N 1.11 1.08 -0.46 2.00 2.04 -1.32 0.21 117.51 122.18 1coz h ILE 122 Ca 0.28 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 1coz h ILE 122 Cb 0.06 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1coz h ILE 122 CO -0.04 0.07 0.03 0.11 0.00 0.00 0.00 178.15 178.32 1coz h LYS 123 N 0.26 0.73 -0.16 2.37 1.57 -0.80 -2.65 116.57 117.89 1coz h LYS 123 Ca 0.07 -0.17 -0.16 0.00 -1.87 0.00 0.00 60.65 58.52 1coz h LYS 123 Cb 0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1coz h LYS 123 CO -0.01 0.72 -0.59 0.93 -0.57 0.00 0.00 179.45 179.93 1coz h GLU 124 N 0.69 0.51 -0.29 3.15 5.08 0.22 -2.99 114.58 120.95 1coz h GLU 124 Ca 0.14 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1coz h GLU 124 Cb 0.38 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1coz h GLU 124 CO 0.01 0.95 0.00 0.39 -1.00 0.00 0.00 179.01 179.36 1coz n GLU 125 N -3.93 1.48 0.00 2.33 1.02 0.73 -5.07 120.64 117.20 1coz n GLU 125 Ca -0.03 -0.64 0.00 0.00 -0.02 0.00 0.00 57.16 56.47 1coz n GLU 125 Cb 0.63 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 1coz n GLU 125 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42