#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppy s ILE 2 N 0.00 2.55 0.14 3.17 -1.09 -1.26 -2.23 121.20 122.47 1ppy s ILE 2 Ca 0.00 -0.82 -0.04 0.00 -2.23 0.00 0.00 60.65 57.56 1ppy s ILE 2 Cb 0.00 -2.06 -0.05 0.00 -1.58 0.00 0.00 42.46 38.77 1ppy s ILE 2 CO 0.00 0.53 0.36 -0.13 -1.23 0.00 0.00 174.94 174.47 1ppy s ARG 3 N 0.70 3.60 -0.33 2.79 1.81 0.06 -4.89 118.95 122.68 1ppy s ARG 3 Ca -0.08 -0.13 -0.11 0.00 -1.72 0.00 0.00 55.73 53.69 1ppy s ARG 3 Cb -0.16 -2.86 -0.00 0.00 -0.45 0.00 0.00 34.95 31.48 1ppy s ARG 3 CO 0.02 0.48 0.19 0.99 -0.68 0.00 0.00 175.30 176.29 1ppy s THR 4 N -1.66 4.79 0.06 0.02 2.01 -1.26 -1.94 115.64 117.66 1ppy s THR 4 Ca 0.40 -0.45 0.09 0.00 0.31 0.00 0.00 61.69 62.05 1ppy s THR 4 Cb -0.12 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 1ppy s THR 4 CO 0.25 -0.01 -0.25 -0.04 -0.69 0.00 0.00 174.62 173.87 1ppy s MET 5 N 1.63 1.65 -0.08 4.92 1.00 0.37 -4.95 119.30 123.84 1ppy s MET 5 Ca 0.05 -1.12 -0.29 0.00 0.00 0.00 0.00 55.69 54.32 1ppy s MET 5 Cb -0.18 -1.87 -0.07 0.00 0.00 0.00 0.00 34.83 32.72 1ppy s MET 5 CO 0.07 0.48 2.04 -1.17 0.00 0.00 0.00 175.02 176.44 1ppy s LEU 6 N -1.37 4.01 -0.02 -0.03 2.96 -1.26 -1.02 118.68 121.95 1ppy s LEU 6 Ca 0.11 2.30 -0.22 0.00 -0.22 0.00 0.00 54.13 56.10 1ppy s LEU 6 Cb -0.10 -3.52 -0.23 0.00 0.50 0.00 0.00 46.19 42.84 1ppy s LEU 6 CO 0.03 -1.43 1.08 -0.61 -1.32 0.00 0.00 176.35 174.10 1ppy h GLN 7 N 12.37 0.31 -1.14 1.98 -0.00 -1.03 -3.39 115.11 124.22 1ppy h GLN 7 Ca -0.45 -0.33 0.36 0.00 -0.00 0.00 0.00 58.65 58.23 1ppy h GLN 7 Cb 1.23 0.09 -0.15 0.00 0.00 0.00 0.00 27.48 28.65 1ppy h GLN 7 CO 0.95 1.02 0.95 0.20 0.00 0.00 0.00 178.83 181.95 1ppy s GLY 8 N -3.99 -0.42 0.07 2.39 0.00 -1.16 -0.87 107.32 103.33 1ppy s GLY 8 Ca -0.14 1.10 -0.21 0.00 0.00 0.00 0.00 44.72 45.47 1ppy s GLY 8 CO 0.79 0.26 0.50 -1.59 0.00 0.00 0.00 173.10 173.06 1ppy s LYS 9 N -2.13 1.06 -0.37 2.90 -2.85 -0.10 -1.92 119.74 116.33 1ppy s LYS 9 Ca 0.14 -0.35 -0.11 0.00 -1.00 0.00 0.00 55.97 54.65 1ppy s LYS 9 Cb 0.05 0.48 0.02 0.00 -2.06 0.00 0.00 37.83 36.33 1ppy s LYS 9 CO -0.05 -0.40 0.20 -0.51 0.10 0.00 0.00 175.35 174.70 1ppy s LEU 10 N -2.20 4.67 -0.39 2.77 1.43 0.24 -1.71 118.68 123.50 1ppy s LEU 10 Ca -0.03 -0.95 -0.18 0.00 -1.03 0.00 0.00 54.13 51.94 1ppy s LEU 10 Cb -0.00 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1ppy s LEU 10 CO -0.05 -0.37 0.51 -2.28 0.23 0.00 0.00 176.35 174.39 1ppy s HIS 11 N 1.56 3.15 -1.16 0.29 2.46 0.55 -1.59 115.29 120.56 1ppy s HIS 11 Ca 0.02 -0.03 -0.04 0.00 0.47 0.00 0.00 55.06 55.48 1ppy s HIS 11 Cb -0.19 -2.99 0.00 0.00 -0.13 0.00 0.00 32.58 29.27 1ppy s HIS 11 CO 0.07 -0.65 0.99 0.54 -2.47 0.00 0.00 174.74 173.21 1ppy n ARG 12 N 5.80 -6.59 -1.80 2.88 1.74 -0.82 -2.26 116.66 115.62 1ppy n ARG 12 Ca -0.05 0.76 -0.32 0.00 -0.77 0.00 0.00 57.85 57.48 1ppy n ARG 12 Cb 0.48 -5.57 0.03 0.00 -1.02 0.00 0.00 32.46 26.38 1ppy n ARG 12 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1ppy s VAL 13 N -3.31 4.10 -0.12 1.55 -7.23 -0.70 -4.54 120.40 110.15 1ppy s VAL 13 Ca 0.24 0.78 -0.04 0.00 -1.81 0.00 0.00 61.98 61.16 1ppy s VAL 13 Cb -0.11 -3.48 -0.03 0.00 0.56 0.00 0.00 36.38 33.32 1ppy s VAL 13 CO 0.66 -0.79 0.02 -0.75 -0.31 0.00 0.00 175.10 173.93 1ppy s LYS 14 N -4.73 3.32 0.06 4.82 2.20 -1.26 -1.14 119.74 123.01 1ppy s LYS 14 Ca 0.59 -0.39 -0.31 0.00 -0.36 0.00 0.00 55.97 55.51 1ppy s LYS 14 Cb -0.14 -2.93 -0.06 0.00 -1.51 0.00 0.00 37.83 33.19 1ppy s LYS 14 CO 0.48 0.56 1.34 0.08 -0.36 0.00 0.00 175.35 177.45 1ppy s VAL 15 N -0.47 3.64 -0.27 4.02 1.01 -0.17 -4.52 120.40 123.65 1ppy s VAL 15 Ca 0.09 1.14 -0.07 0.00 0.00 0.00 0.00 61.98 63.13 1ppy s VAL 15 Cb -0.12 -3.73 -0.14 0.00 0.00 0.00 0.00 36.38 32.39 1ppy s VAL 15 CO 0.02 0.06 -0.30 0.35 0.00 0.00 0.00 175.10 175.23 1ppy n THR 16 N 4.19 1.50 -0.66 3.92 -2.24 0.14 -0.88 114.28 120.24 1ppy n THR 16 Ca 0.11 -0.46 0.05 0.00 -2.27 0.00 0.00 64.05 61.49 1ppy n THR 16 Cb 0.44 -1.68 -0.03 0.00 -2.10 0.00 0.00 70.33 66.96 1ppy n THR 16 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1ppy n HIS 17 N -3.82 -1.79 -3.64 4.78 -0.00 -1.05 -4.95 115.22 104.77 1ppy n HIS 17 Ca -0.51 0.98 -0.09 0.00 -0.00 0.00 0.00 57.72 58.10 1ppy n HIS 17 Cb 0.93 -1.67 -0.07 0.00 -0.00 0.00 0.00 29.99 29.17 1ppy n HIS 17 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ppy s ALA 18 N -3.92 -1.92 0.11 1.57 0.00 -1.26 -4.80 121.76 111.54 1ppy s ALA 18 Ca 0.00 2.15 -0.10 0.00 0.00 0.00 0.00 51.96 54.00 1ppy s ALA 18 Cb 0.00 -1.38 -0.14 0.00 0.00 0.00 0.00 23.12 21.60 1ppy s ALA 18 CO 0.00 -0.33 1.29 -0.44 0.00 0.00 0.00 175.76 176.28 1ppy h ASP 19 N 5.60 0.83 -4.08 0.00 3.32 -2.03 -3.46 116.42 116.60 1ppy h ASP 19 Ca -0.29 -0.59 -0.45 0.00 0.02 0.00 0.00 57.03 55.72 1ppy h ASP 19 Cb 1.19 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 1ppy h ASP 19 CO 0.12 1.38 0.36 -0.76 -1.72 0.00 0.00 179.24 178.61 1ppy s LEU 20 N -8.20 3.88 0.06 1.55 1.02 -1.26 -5.06 118.68 110.66 1ppy s LEU 20 Ca -0.09 1.76 -0.14 0.00 0.02 0.00 0.00 54.13 55.68 1ppy s LEU 20 Cb 0.08 -4.54 -0.06 0.00 0.02 0.00 0.00 46.19 41.69 1ppy s LEU 20 CO 0.90 -0.52 0.46 -1.00 0.02 0.00 0.00 176.35 176.20 1ppy s HIS 21 N -2.16 3.68 -0.18 0.29 3.76 -1.26 -4.71 115.29 114.72 1ppy s HIS 21 Ca 0.63 1.01 0.06 0.00 -0.15 0.00 0.00 55.06 56.61 1ppy s HIS 21 Cb -0.11 -2.31 0.13 0.00 1.11 0.00 0.00 32.58 31.40 1ppy s HIS 21 CO 0.17 0.56 1.09 0.66 -0.85 0.00 0.00 174.74 176.37 1ppy n TYR 22 N 1.39 0.12 -2.88 1.40 4.01 -0.58 -4.94 117.16 115.67 1ppy n TYR 22 Ca -0.10 -0.61 -0.20 0.00 -0.16 0.00 0.00 57.90 56.82 1ppy n TYR 22 Cb 0.52 -0.08 0.03 0.00 -0.31 0.00 0.00 39.34 39.50 1ppy n TYR 22 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1ppy n GLU 23 N -0.51 -4.17 0.00 -0.72 1.02 -1.26 -1.66 120.64 113.34 1ppy n GLU 23 Ca 0.06 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 58.05 1ppy n GLU 23 Cb 0.38 -5.54 0.00 0.00 -0.02 0.00 0.00 31.44 26.27 1ppy n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ppy n GLY 24 N -1.41 0.65 3.97 0.62 0.00 -1.26 -4.85 105.19 102.90 1ppy n GLY 24 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 1ppy n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ppy s SER 25 N -2.17 4.37 -0.24 1.61 1.04 -0.66 -4.62 113.70 113.02 1ppy s SER 25 Ca 0.00 -0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.23 1ppy s SER 25 Cb 0.00 -0.28 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 1ppy s SER 25 CO 0.00 -1.85 -0.00 0.00 0.98 0.00 0.00 173.24 172.37 1ppy s ALA 27 N 1.50 3.48 -0.03 0.00 0.00 0.33 -1.17 121.76 125.86 1ppy s ALA 27 Ca 0.05 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.14 1ppy s ALA 27 Cb -0.15 -2.81 0.03 0.00 0.00 0.00 0.00 23.12 20.20 1ppy s ALA 27 CO -0.01 0.23 0.05 0.42 0.00 0.00 0.00 175.76 176.45 1ppy s ILE 28 N -0.57 -0.09 -0.31 0.00 1.01 -0.00 -0.99 121.20 120.25 1ppy s ILE 28 Ca 0.33 0.30 -0.43 0.00 0.00 0.00 0.00 60.65 60.86 1ppy s ILE 28 Cb -0.20 -0.12 -0.18 0.00 0.01 0.00 0.00 42.46 41.97 1ppy s ILE 28 CO 0.20 0.13 1.60 -0.67 0.00 0.00 0.00 174.94 176.20 1ppy n ASP 29 N 4.66 1.68 -0.37 3.58 -0.08 -0.70 -0.11 116.55 125.20 1ppy n ASP 29 Ca -0.18 1.13 0.28 0.00 -1.51 0.00 0.00 54.79 54.52 1ppy n ASP 29 Cb 0.50 -1.03 0.55 0.00 2.34 0.00 0.00 41.12 43.49 1ppy n ASP 29 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1ppy h GLN 30 N 5.80 0.25 -0.98 -0.67 5.75 -1.51 0.11 115.11 123.86 1ppy h GLN 30 Ca -0.46 -0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.08 1ppy h GLN 30 Cb 1.35 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 29.78 1ppy h GLN 30 CO 0.93 0.17 0.64 -0.44 -2.65 0.00 0.00 178.83 177.48 1ppy h ASP 31 N 0.26 1.05 -0.23 -0.69 3.32 -1.87 0.32 116.42 118.57 1ppy h ASP 31 Ca 0.72 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.63 1ppy h ASP 31 Cb 1.95 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 41.27 1ppy h ASP 31 CO -0.43 0.69 -0.38 -0.26 -1.72 0.00 0.00 179.24 177.14 1ppy h PHE 32 N 1.20 0.84 -0.41 4.55 0.04 -1.14 -2.31 116.94 119.70 1ppy h PHE 32 Ca 0.41 -0.29 0.04 0.00 2.80 0.00 0.00 57.97 60.93 1ppy h PHE 32 Cb 0.08 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.04 1ppy h PHE 32 CO -0.00 1.05 0.19 -0.07 -0.60 0.00 0.00 178.31 178.88 1ppy h LEU 33 N 0.38 0.26 -0.40 1.54 3.38 -1.02 -2.02 115.31 117.43 1ppy h LEU 33 Ca 0.02 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1ppy h LEU 33 Cb 0.98 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 1ppy h LEU 33 CO 0.09 0.19 0.03 0.44 0.09 0.00 0.00 178.44 179.28 1ppy h ASP 34 N 0.39 -0.10 -0.20 -0.43 3.32 -0.84 -0.10 116.42 118.45 1ppy h ASP 34 Ca 0.18 0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.21 1ppy h ASP 34 Cb 0.11 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1ppy h ASP 34 CO -0.14 -0.02 -0.22 0.00 -1.72 0.00 0.00 179.24 177.14 1ppy h ALA 35 N 1.34 0.98 -0.01 3.45 0.00 -1.05 -2.64 119.26 121.33 1ppy h ALA 35 Ca 0.20 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ppy h ALA 35 Cb 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ppy h ALA 35 CO -0.30 0.60 -0.12 0.00 0.00 0.00 0.00 179.25 179.42 1ppy n ALA 36 N -2.49 2.81 -1.31 0.00 0.00 -0.79 -4.39 120.51 114.34 1ppy n ALA 36 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 53.44 52.97 1ppy n ALA 36 Cb 0.41 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 1ppy n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ppy n GLY 37 N 1.25 1.20 3.78 0.00 0.00 -0.16 -4.14 105.19 107.12 1ppy n GLY 37 Ca 0.16 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 1ppy n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ppy s ILE 38 N -2.37 4.78 0.12 -0.61 1.01 -0.57 -4.97 121.20 118.58 1ppy s ILE 38 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 60.65 61.94 1ppy s ILE 38 Cb 0.00 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1ppy s ILE 38 CO 0.00 0.49 0.27 -0.76 0.00 0.00 0.00 174.94 174.94 1ppy s LEU 39 N -0.67 4.33 0.30 2.97 1.43 -1.26 -4.48 118.68 121.29 1ppy s LEU 39 Ca 0.31 0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 53.39 1ppy s LEU 39 Cb -0.19 -3.00 -0.11 0.00 0.03 0.00 0.00 46.19 42.92 1ppy s LEU 39 CO 0.19 0.09 1.52 -0.70 0.23 0.00 0.00 176.35 177.68 1ppy s GLU 40 N -2.88 4.17 0.00 1.70 2.12 -1.26 -1.80 118.70 120.75 1ppy s GLU 40 Ca 0.36 2.48 0.00 0.00 0.36 0.00 0.00 54.97 58.17 1ppy s GLU 40 Cb -0.12 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.23 1ppy s GLU 40 CO 0.28 -0.53 0.00 0.09 -0.54 0.00 0.00 175.26 174.56 1ppy n ASN 41 N 1.86 -1.74 -4.75 -1.70 5.03 0.61 -4.99 115.26 109.58 1ppy n ASN 41 Ca 0.06 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.11 1ppy n ASN 41 Cb 0.39 -0.58 -0.05 0.00 -1.02 0.00 0.00 39.78 38.52 1ppy n ASN 41 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1ppy s GLU 42 N -0.18 4.69 0.33 3.52 2.12 -0.75 -4.71 118.70 123.73 1ppy s GLU 42 Ca 0.00 1.72 -0.29 0.00 0.36 0.00 0.00 54.97 56.76 1ppy s GLU 42 Cb 0.00 -3.22 -0.11 0.00 0.26 0.00 0.00 34.13 31.06 1ppy s GLU 42 CO 0.00 0.27 1.56 0.00 -0.54 0.00 0.00 175.26 176.55 1ppy s ALA 43 N -1.06 3.68 0.02 6.30 0.00 -1.26 -1.31 121.76 128.13 1ppy s ALA 43 Ca 0.44 1.60 0.01 0.00 0.00 0.00 0.00 51.96 54.01 1ppy s ALA 43 Cb -0.30 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.16 1ppy s ALA 43 CO 0.38 -1.04 -0.05 0.96 0.00 0.00 0.00 175.76 176.01 1ppy s ILE 44 N -0.51 0.36 -0.14 0.00 -4.36 -0.51 -4.59 121.20 111.45 1ppy s ILE 44 Ca 0.59 -0.75 -0.05 0.00 -0.26 0.00 0.00 60.65 60.18 1ppy s ILE 44 Cb -0.48 -0.41 -0.04 0.00 1.25 0.00 0.00 42.46 42.78 1ppy s ILE 44 CO 0.55 -0.26 0.06 -1.81 0.24 0.00 0.00 174.94 173.72 1ppy s ASP 45 N -1.08 5.64 -0.14 4.36 1.01 -0.03 -0.74 116.67 125.70 1ppy s ASP 45 Ca -0.08 0.17 0.02 0.00 0.71 0.00 0.00 52.55 53.38 1ppy s ASP 45 Cb -0.07 -1.83 0.01 0.00 1.01 0.00 0.00 42.92 42.04 1ppy s ASP 45 CO -0.00 0.29 -0.21 -0.63 0.21 0.00 0.00 175.17 174.83 1ppy s ILE 46 N -0.31 1.98 -0.28 0.77 1.01 0.51 -0.69 121.20 124.20 1ppy s ILE 46 Ca 0.08 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 1ppy s ILE 46 Cb -0.12 -1.76 0.03 0.00 0.01 0.00 0.00 42.46 40.61 1ppy s ILE 46 CO 0.02 0.54 0.00 0.26 0.00 0.00 0.00 174.94 175.75 1ppy s TRP 47 N 0.85 3.13 -0.49 3.97 0.51 0.02 -1.38 118.94 125.56 1ppy s TRP 47 Ca -0.07 -1.43 -0.24 0.00 -2.12 0.00 0.00 56.10 52.25 1ppy s TRP 47 Cb -0.15 -2.14 0.03 0.00 -0.81 0.00 0.00 33.47 30.40 1ppy s TRP 47 CO -0.02 -0.70 0.85 1.21 -0.51 0.00 0.00 176.95 177.78 1ppy s ASN 48 N 1.37 6.40 0.35 2.95 3.84 0.49 -0.70 114.94 129.64 1ppy s ASN 48 Ca -0.00 -0.18 0.13 0.00 0.21 0.00 0.00 52.86 53.02 1ppy s ASN 48 Cb -0.17 -2.41 0.66 0.00 -0.55 0.00 0.00 41.25 38.77 1ppy s ASN 48 CO -0.01 -1.04 1.78 0.58 -2.79 0.00 0.00 177.10 175.62 1ppy h VAL 49 N 6.01 1.28 0.06 -5.21 2.07 -1.16 0.34 116.25 119.64 1ppy h VAL 49 Ca -0.25 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 65.82 1ppy h VAL 49 Cb 1.08 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1ppy h VAL 49 CO 1.01 0.41 -0.03 0.74 0.02 0.00 0.00 177.57 179.72 1ppy h THR 50 N 0.00 1.25 -0.02 2.57 2.02 -1.89 -3.37 112.91 113.47 1ppy h THR 50 Ca -0.00 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 65.88 1ppy h THR 50 Cb 0.75 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1ppy h THR 50 CO 0.05 0.31 -0.04 -0.46 0.37 0.00 0.00 175.52 175.76 1ppy n ASN 51 N -4.85 2.15 0.00 4.18 0.23 -1.24 -5.00 115.26 110.73 1ppy n ASN 51 Ca -0.08 -1.57 0.00 0.00 -0.53 0.00 0.00 54.58 52.39 1ppy n ASN 51 Cb 0.29 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 1ppy n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ppy n GLY 52 N 0.87 1.45 3.77 4.83 0.00 0.11 -5.02 105.19 111.20 1ppy n GLY 52 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1ppy n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ppy s LYS 53 N -0.05 3.66 -0.07 1.61 0.00 -1.23 -4.75 119.74 118.90 1ppy s LYS 53 Ca 0.00 1.73 -0.00 0.00 0.00 0.00 0.00 55.97 57.70 1ppy s LYS 53 Cb 0.00 -2.30 0.02 0.00 0.00 0.00 0.00 37.83 35.55 1ppy s LYS 53 CO 0.00 -0.63 -0.04 1.03 0.00 0.00 0.00 175.35 175.71 1ppy s ARG 54 N -2.85 0.96 0.17 1.78 0.52 -1.26 -0.38 118.95 117.89 1ppy s ARG 54 Ca 0.66 -0.07 -0.05 0.00 -0.52 0.00 0.00 55.73 55.74 1ppy s ARG 54 Cb -0.27 -1.11 -0.02 0.00 0.52 0.00 0.00 34.95 34.07 1ppy s ARG 54 CO 0.33 -0.21 0.21 -0.59 0.02 0.00 0.00 175.30 175.06 1ppy s PHE 55 N 1.51 0.69 -0.04 -0.53 -0.71 -0.48 -5.01 117.98 113.42 1ppy s PHE 55 Ca -0.01 -1.02 0.04 0.00 -1.04 0.00 0.00 56.93 54.89 1ppy s PHE 55 Cb -0.13 -0.25 -0.00 0.00 -1.21 0.00 0.00 43.02 41.42 1ppy s PHE 55 CO -0.04 -0.68 -0.14 -1.12 -1.34 0.00 0.00 175.22 171.90 1ppy s SER 56 N -3.04 1.81 0.00 1.98 0.01 -1.26 -0.36 113.70 112.84 1ppy s SER 56 Ca 0.24 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1ppy s SER 56 Cb 0.05 -0.51 0.00 0.00 0.21 0.00 0.00 66.02 65.77 1ppy s SER 56 CO 0.04 0.12 0.00 1.07 0.41 0.00 0.00 173.24 174.88 1ppy n THR 57 N 3.21 0.00 -4.14 1.44 5.66 0.08 -4.99 114.28 115.54 1ppy n THR 57 Ca -0.18 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.72 1ppy n THR 57 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.21 1ppy n THR 57 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1ppy s TYR 58 N 0.61 0.78 0.01 1.09 1.13 -1.26 -1.42 117.35 118.28 1ppy s TYR 58 Ca 0.00 -0.92 -0.17 0.00 -1.41 0.00 0.00 57.07 54.57 1ppy s TYR 58 Cb 0.00 -0.47 -0.06 0.00 -1.10 0.00 0.00 41.96 40.33 1ppy s TYR 58 CO 0.00 -0.20 0.47 0.00 -2.51 0.00 0.00 175.55 173.31 1ppy s ALA 59 N -3.52 3.63 0.15 9.51 0.00 -0.43 -1.65 121.76 129.45 1ppy s ALA 59 Ca 0.09 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.00 1ppy s ALA 59 Cb 0.05 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 1ppy s ALA 59 CO -0.06 0.39 -0.17 0.96 0.00 0.00 0.00 175.76 176.88 1ppy s ILE 60 N -0.86 1.70 0.12 0.00 -4.36 -0.32 -0.28 121.20 117.20 1ppy s ILE 60 Ca 0.26 -1.86 -0.28 0.00 -0.26 0.00 0.00 60.65 58.50 1ppy s ILE 60 Cb -0.17 -1.77 -0.06 0.00 1.25 0.00 0.00 42.46 41.70 1ppy s ILE 60 CO 0.15 -0.33 0.89 0.00 0.24 0.00 0.00 174.94 175.89 1ppy s ALA 61 N -2.06 3.31 0.30 2.27 0.00 -1.26 -0.82 121.76 123.50 1ppy s ALA 61 Ca 0.14 0.49 0.06 0.00 0.00 0.00 0.00 51.96 52.65 1ppy s ALA 61 Cb -0.06 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 1ppy s ALA 61 CO 0.06 0.06 0.39 0.00 0.00 0.00 0.00 175.76 176.26 1ppy s ALA 62 N -0.28 4.03 0.19 0.00 0.00 0.85 -4.69 121.76 121.86 1ppy s ALA 62 Ca 0.43 -1.41 -0.33 0.00 0.00 0.00 0.00 51.96 50.65 1ppy s ALA 62 Cb -0.23 -1.59 -0.15 0.00 0.00 0.00 0.00 23.12 21.15 1ppy s ALA 62 CO 0.28 0.08 1.30 -1.91 0.00 0.00 0.00 175.76 175.51 1ppy n GLU 63 N -1.49 1.55 -1.68 0.00 2.13 -1.26 -1.66 120.64 118.22 1ppy n GLU 63 Ca -0.04 0.55 -0.45 0.00 0.66 0.00 0.00 57.16 57.88 1ppy n GLU 63 Cb 0.58 -2.14 -0.04 0.00 0.27 0.00 0.00 31.44 30.11 1ppy n GLU 63 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1ppy n ARG 64 N 2.04 2.30 -0.45 5.31 0.63 -1.26 -1.54 116.66 123.68 1ppy n ARG 64 Ca 0.14 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 57.90 1ppy n ARG 64 Cb 0.27 -2.62 0.00 0.00 0.45 0.00 0.00 32.46 30.56 1ppy n ARG 64 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ppy n GLY 65 N 3.59 1.55 0.24 5.14 0.00 -1.26 -4.90 105.19 109.55 1ppy n GLY 65 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1ppy n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ppy h SER 66 N 0.00 0.00 -3.15 1.61 4.64 -1.63 -3.47 113.55 111.54 1ppy h SER 66 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 1ppy h SER 66 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1ppy h SER 66 CO 0.00 0.14 -0.32 0.54 -0.87 0.00 0.00 176.83 176.32 1ppy n ARG 67 N -3.32 -1.95 -2.50 4.77 1.74 -1.26 -4.95 116.66 109.19 1ppy n ARG 67 Ca 0.00 0.69 -0.41 0.00 -0.77 0.00 0.00 57.85 57.36 1ppy n ARG 67 Cb 0.37 -5.21 -0.04 0.00 -1.02 0.00 0.00 32.46 26.56 1ppy n ARG 67 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ppy s ILE 68 N -2.54 3.89 -0.23 0.55 1.01 -1.26 -4.86 121.20 117.76 1ppy s ILE 68 Ca 0.00 1.59 -0.01 0.00 0.00 0.00 0.00 60.65 62.24 1ppy s ILE 68 Cb 0.00 -4.02 0.06 0.00 0.01 0.00 0.00 42.46 38.52 1ppy s ILE 68 CO 0.00 0.26 -0.01 -0.63 0.00 0.00 0.00 174.94 174.56 1ppy s ILE 69 N -0.08 1.13 -0.03 2.92 -1.09 -1.25 -1.73 121.20 121.08 1ppy s ILE 69 Ca 0.50 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 1ppy s ILE 69 Cb -0.29 -1.53 0.03 0.00 -1.58 0.00 0.00 42.46 39.08 1ppy s ILE 69 CO 0.34 -0.20 0.02 -0.55 -1.23 0.00 0.00 174.94 173.32 1ppy s SER 70 N 1.57 0.35 -0.15 3.58 0.15 -0.16 -0.69 113.70 118.34 1ppy s SER 70 Ca -0.02 0.01 0.16 0.00 0.70 0.00 0.00 55.95 56.79 1ppy s SER 70 Cb -0.18 -0.15 0.61 0.00 -1.71 0.00 0.00 66.02 64.59 1ppy s SER 70 CO -0.08 -0.13 1.52 1.33 1.20 0.00 0.00 173.24 177.08 1ppy n VAL 71 N 4.26 2.12 -1.48 4.45 0.24 -1.26 -0.52 118.33 126.15 1ppy n VAL 71 Ca -0.25 -1.50 -0.44 0.00 -2.04 0.00 0.00 64.34 60.10 1ppy n VAL 71 Cb 0.50 -0.07 -0.01 0.00 -1.47 0.00 0.00 33.84 32.79 1ppy n VAL 71 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1ppy n ASN 72 N 0.26 -0.27 0.00 -1.34 5.15 -1.26 -1.96 115.26 115.85 1ppy n ASN 72 Ca 0.23 1.07 0.00 0.00 -0.60 0.00 0.00 54.58 55.27 1ppy n ASN 72 Cb 0.90 -1.12 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 1ppy n ASN 72 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ppy n GLY 73 N 1.66 0.90 0.11 8.20 0.00 -1.26 -1.53 105.19 113.27 1ppy n GLY 73 Ca 0.13 -1.31 0.12 0.00 0.00 0.00 0.00 46.02 44.96 1ppy n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ppy n ALA 74 N 3.15 1.84 -0.37 4.61 0.00 -1.26 -2.89 120.51 125.59 1ppy n ALA 74 Ca 0.00 0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.57 1ppy n ALA 74 Cb 0.00 -1.40 0.25 0.00 0.00 0.00 0.00 19.45 18.30 1ppy n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ppy n ALA 75 N -1.76 2.45 0.25 0.00 0.00 -1.18 -4.68 120.51 115.59 1ppy n ALA 75 Ca 0.03 -1.36 0.14 0.00 0.00 0.00 0.00 53.44 52.26 1ppy n ALA 75 Cb 0.28 -0.71 0.73 0.00 0.00 0.00 0.00 19.45 19.75 1ppy n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ppy h ALA 76 N 3.10 1.00 0.00 0.00 0.00 -1.25 -3.38 119.26 118.73 1ppy h ALA 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ppy h ALA 76 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ppy h ALA 76 CO 0.05 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.02 1ppy n HIS 77 N -2.51 0.00 -1.04 0.00 8.25 -1.26 -4.64 115.22 114.01 1ppy n HIS 77 Ca -0.01 -0.52 -0.35 0.00 -0.26 0.00 0.00 57.72 56.58 1ppy n HIS 77 Cb 0.09 -0.31 0.08 0.00 1.12 0.00 0.00 29.99 30.97 1ppy n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ppy n ALA 79 N 1.14 -2.73 -2.45 -1.41 0.00 -1.26 -5.17 120.51 108.62 1ppy n ALA 79 Ca 0.00 -0.44 -0.16 0.00 0.00 0.00 0.00 53.44 52.84 1ppy n ALA 79 Cb 0.35 -1.68 -0.11 0.00 0.00 0.00 0.00 19.45 18.02 1ppy n ALA 79 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ppy s SER 80 N -1.55 1.80 0.22 0.00 0.01 -1.26 -4.96 113.70 107.96 1ppy s SER 80 Ca 0.57 -0.84 -0.32 0.00 1.31 0.00 0.00 55.95 56.67 1ppy s SER 80 Cb -0.28 -0.04 -0.12 0.00 0.21 0.00 0.00 66.02 65.79 1ppy s SER 80 CO 0.66 -0.21 1.69 0.52 0.41 0.00 0.00 173.24 176.32 1ppy n VAL 81 N 0.41 0.19 0.00 3.43 0.31 -1.26 -1.18 118.33 120.23 1ppy n VAL 81 Ca -0.15 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1ppy n VAL 81 Cb 0.58 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 1ppy n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ppy n GLY 82 N 3.60 3.25 3.77 2.92 0.00 -0.05 -4.99 105.19 113.68 1ppy n GLY 82 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1ppy n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ppy s ASP 83 N -0.72 5.91 -0.21 1.61 1.01 -0.33 -4.70 116.67 119.23 1ppy s ASP 83 Ca 0.00 2.38 -0.09 0.00 0.71 0.00 0.00 52.55 55.54 1ppy s ASP 83 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 1ppy s ASP 83 CO 0.00 -1.10 0.12 -0.63 0.21 0.00 0.00 175.17 173.77 1ppy s ILE 84 N -1.53 5.17 0.13 0.77 -1.09 -1.26 -1.00 121.20 122.39 1ppy s ILE 84 Ca 0.67 0.11 0.04 0.00 -2.23 0.00 0.00 60.65 59.24 1ppy s ILE 84 Cb -0.30 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 1ppy s ILE 84 CO 0.36 0.41 -0.10 0.68 -1.23 0.00 0.00 174.94 175.05 1ppy s VAL 85 N 0.69 1.11 -0.11 2.92 -7.23 -0.29 -0.60 120.40 116.88 1ppy s VAL 85 Ca 0.06 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.28 1ppy s VAL 85 Cb -0.12 -1.74 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 1ppy s VAL 85 CO 0.01 -0.71 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.31 1ppy s ILE 86 N -3.14 2.88 -0.18 -0.62 1.01 0.12 -1.72 121.20 119.54 1ppy s ILE 86 Ca 0.14 -0.74 -0.00 0.00 0.00 0.00 0.00 60.65 60.05 1ppy s ILE 86 Cb 0.01 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.31 1ppy s ILE 86 CO 0.00 0.54 -0.16 -0.63 0.00 0.00 0.00 174.94 174.69 1ppy s ILE 87 N 0.20 2.45 0.05 2.92 1.01 -0.62 -0.80 121.20 126.40 1ppy s ILE 87 Ca -0.09 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 59.81 1ppy s ILE 87 Cb -0.15 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 1ppy s ILE 87 CO 0.05 0.51 -0.20 0.00 0.00 0.00 0.00 174.94 175.31 1ppy s ALA 88 N 1.23 1.69 0.17 9.38 0.00 0.13 -0.59 121.76 133.76 1ppy s ALA 88 Ca 0.03 -1.05 0.10 0.00 0.00 0.00 0.00 51.96 51.03 1ppy s ALA 88 Cb -0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1ppy s ALA 88 CO -0.08 0.37 -0.18 -1.54 0.00 0.00 0.00 175.76 174.32 1ppy s SER 89 N -1.28 3.79 -0.01 0.00 1.04 -0.81 -0.85 113.70 115.59 1ppy s SER 89 Ca 0.06 -0.69 0.06 0.00 0.48 0.00 0.00 55.95 55.86 1ppy s SER 89 Cb -0.09 -0.47 -0.01 0.00 0.10 0.00 0.00 66.02 65.55 1ppy s SER 89 CO 0.02 0.13 -0.19 -0.36 0.98 0.00 0.00 173.24 173.83 1ppy s PHE 90 N -1.50 1.66 0.22 5.02 0.40 -1.26 -0.37 117.98 122.15 1ppy s PHE 90 Ca 0.21 -0.32 0.08 0.00 -0.60 0.00 0.00 56.93 56.30 1ppy s PHE 90 Cb -0.09 -1.07 -0.05 0.00 0.51 0.00 0.00 43.02 42.33 1ppy s PHE 90 CO 0.11 -0.02 -0.14 0.14 0.70 0.00 0.00 175.22 176.01 1ppy s VAL 91 N -0.46 1.78 0.11 -0.44 -7.23 -0.19 -4.83 120.40 109.14 1ppy s VAL 91 Ca 0.07 -2.22 0.05 0.00 -1.81 0.00 0.00 61.98 58.07 1ppy s VAL 91 Cb -0.07 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 1ppy s VAL 91 CO -0.01 -0.56 0.00 0.42 -0.31 0.00 0.00 175.10 174.65 1ppy s THR 92 N -2.94 3.96 -0.00 5.32 -4.23 -1.26 -0.48 115.64 116.00 1ppy s THR 92 Ca 0.24 -1.07 -0.29 0.00 -1.18 0.00 0.00 61.69 59.39 1ppy s THR 92 Cb -0.01 -2.91 0.10 0.00 1.34 0.00 0.00 72.50 71.03 1ppy s THR 92 CO 0.08 0.08 0.87 0.00 -0.54 0.00 0.00 174.62 175.11 1ppy s MET 93 N -2.42 0.84 0.83 3.99 0.23 -0.82 -4.97 119.30 116.97 1ppy s MET 93 Ca 0.26 -0.28 -0.13 0.00 -1.03 0.00 0.00 55.69 54.52 1ppy s MET 93 Cb -0.11 0.39 0.10 0.00 -1.53 0.00 0.00 34.83 33.67 1ppy s MET 93 CO 0.18 -0.36 1.20 -2.14 -2.03 0.00 0.00 175.02 171.87 1ppy s PRO 94 N -3.02 1.48 0.24 3.16 0.02 -1.26 -0.76 135.00 134.86 1ppy s PRO 94 Ca 0.04 1.73 -0.05 0.00 0.02 0.00 0.00 61.00 62.74 1ppy s PRO 94 Cb -0.01 -1.76 0.35 0.00 0.02 0.00 0.00 34.50 33.10 1ppy s PRO 94 CO -0.08 -2.32 1.84 0.22 -0.33 0.00 0.00 177.00 176.32 1ppy h ASP 95 N -1.11 0.81 -0.10 2.53 3.58 -1.82 -0.76 116.42 119.54 1ppy h ASP 95 Ca -0.46 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.02 1ppy h ASP 95 Cb 1.29 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 1ppy h ASP 95 CO 0.45 0.51 0.06 -0.08 -2.88 0.00 0.00 179.24 177.30 1ppy h GLU 96 N 0.94 0.13 -0.89 0.28 4.81 -1.91 -1.39 114.58 116.55 1ppy h GLU 96 Ca 0.38 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.58 1ppy h GLU 96 Cb 0.22 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1ppy h GLU 96 CO -0.19 0.09 0.46 1.49 -0.73 0.00 0.00 179.01 180.14 1ppy h GLU 97 N 0.13 1.26 -0.91 1.92 4.81 -1.82 -2.47 114.58 117.49 1ppy h GLU 97 Ca 0.04 -0.16 0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1ppy h GLU 97 Cb -0.01 -0.24 -0.06 0.00 0.63 0.00 0.00 28.75 29.07 1ppy h GLU 97 CO -0.01 0.93 0.59 0.00 -0.73 0.00 0.00 179.01 179.80 1ppy h ALA 98 N 1.25 1.55 0.00 2.92 0.00 -0.68 -2.18 119.26 122.12 1ppy h ALA 98 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ppy h ALA 98 Cb 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ppy h ALA 98 CO -0.05 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1ppy h ARG 99 N 0.98 0.00 0.00 0.00 3.08 -0.77 -2.57 114.38 115.10 1ppy h ARG 99 Ca 0.41 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.46 1ppy h ARG 99 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1ppy h ARG 99 CO -0.17 0.00 -0.11 0.25 -1.07 0.00 0.00 179.97 178.87 1ppy n THR 100 N -2.94 1.51 -2.33 2.04 -2.24 -0.99 -5.07 114.28 104.27 1ppy n THR 100 Ca -0.00 -1.83 -0.41 0.00 -2.27 0.00 0.00 64.05 59.54 1ppy n THR 100 Cb 0.22 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 1ppy n THR 100 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1ppy s TRP 101 N -2.30 3.37 -0.24 4.78 -0.11 -0.86 -5.03 118.94 118.55 1ppy s TRP 101 Ca 0.26 1.48 0.02 0.00 1.22 0.00 0.00 56.10 59.07 1ppy s TRP 101 Cb 0.23 -3.46 0.05 0.00 -1.50 0.00 0.00 33.47 28.78 1ppy s TRP 101 CO 0.02 -1.24 -0.13 -0.98 -4.62 0.00 0.00 176.95 170.00 1ppy s ARG 102 N -0.93 2.51 0.70 5.86 1.04 -1.26 -5.05 118.95 121.81 1ppy s ARG 102 Ca 0.50 -1.17 -0.16 0.00 -1.04 0.00 0.00 55.73 53.86 1ppy s ARG 102 Cb -0.35 -2.81 0.02 0.00 -2.04 0.00 0.00 34.95 29.78 1ppy s ARG 102 CO 0.42 -0.45 1.22 -2.14 -0.04 0.00 0.00 175.30 174.31 1ppy s PRO 103 N 1.18 2.30 -0.53 3.89 0.02 -1.26 -4.98 135.00 135.63 1ppy s PRO 103 Ca -0.04 1.82 -0.22 0.00 0.02 0.00 0.00 61.00 62.57 1ppy s PRO 103 Cb -0.18 -1.85 0.04 0.00 0.02 0.00 0.00 34.50 32.54 1ppy s PRO 103 CO -0.07 -1.72 0.82 -0.80 -0.33 0.00 0.00 177.00 174.90 1ppy s ASN 104 N -1.87 6.31 -0.12 2.53 0.01 -0.05 -4.92 114.94 116.82 1ppy s ASN 104 Ca 0.76 -0.51 0.01 0.00 -0.71 0.00 0.00 52.86 52.42 1ppy s ASN 104 Cb -0.31 -2.38 -0.01 0.00 0.41 0.00 0.00 41.25 38.96 1ppy s ASN 104 CO 0.43 -1.09 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.08 1ppy s VAL 105 N 3.46 2.80 -0.08 1.60 1.01 -1.26 -0.92 120.40 127.01 1ppy s VAL 105 Ca 0.25 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1ppy s VAL 105 Cb -0.15 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 1ppy s VAL 105 CO 0.17 0.54 -0.24 0.00 0.00 0.00 0.00 175.10 175.57 1ppy s ALA 106 N 0.27 2.13 0.06 5.51 0.00 -0.69 -4.85 121.76 124.19 1ppy s ALA 106 Ca -0.11 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 50.91 1ppy s ALA 106 Cb -0.16 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1ppy s ALA 106 CO 0.06 0.33 0.01 0.71 0.00 0.00 0.00 175.76 176.87 1ppy s TYR 107 N 0.18 3.04 0.07 0.00 2.02 -0.47 -0.33 117.35 121.85 1ppy s TYR 107 Ca -0.13 0.02 0.05 0.00 -0.37 0.00 0.00 57.07 56.64 1ppy s TYR 107 Cb -0.16 -1.59 -0.03 0.00 -0.40 0.00 0.00 41.96 39.77 1ppy s TYR 107 CO 0.07 0.48 -0.14 -0.06 -1.57 0.00 0.00 175.55 174.33 1ppy s PHE 108 N -1.25 1.19 0.18 2.71 0.40 -0.96 0.03 117.98 120.28 1ppy s PHE 108 Ca 0.24 -0.45 -0.11 0.00 -0.60 0.00 0.00 56.93 56.00 1ppy s PHE 108 Cb -0.12 -0.67 0.00 0.00 0.51 0.00 0.00 43.02 42.74 1ppy s PHE 108 CO 0.16 0.05 0.37 -1.83 0.70 0.00 0.00 175.22 174.67 1ppy s GLU 109 N -1.69 1.26 6.76 0.44 -1.05 -0.88 -4.84 118.70 118.70 1ppy s GLU 109 Ca -0.02 -1.11 0.00 0.00 -0.15 0.00 0.00 54.97 53.69 1ppy s GLU 109 Cb -0.10 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.02 1ppy s GLU 109 CO 0.02 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.15 1ppy n GLY 110 N -0.27 3.40 2.33 -3.83 0.00 -1.26 -0.86 105.19 104.70 1ppy n GLY 110 Ca -0.07 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1ppy n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ppy n ASP 111 N 4.00 7.35 -3.99 1.61 2.03 -1.26 -4.59 116.55 121.70 1ppy n ASP 111 Ca 0.00 -2.85 -0.29 0.00 0.52 0.00 0.00 54.79 52.18 1ppy n ASP 111 Cb 0.00 -1.41 -0.01 0.00 -0.72 0.00 0.00 41.12 38.99 1ppy n ASP 111 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1ppy n ASN 112 N 2.26 -1.99 -4.67 1.67 3.02 -1.05 -4.93 115.26 109.56 1ppy n ASN 112 Ca 0.60 -0.94 -0.43 0.00 -0.03 0.00 0.00 54.58 53.78 1ppy n ASN 112 Cb 0.45 -3.25 -0.02 0.00 -0.61 0.00 0.00 39.78 36.34 1ppy n ASN 112 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1ppy s GLU 113 N -6.59 4.31 -0.03 3.52 2.56 -0.04 -4.89 118.70 117.54 1ppy s GLU 113 Ca 0.31 1.34 -0.16 0.00 0.00 0.00 0.00 54.97 56.47 1ppy s GLU 113 Cb -0.17 -3.61 -0.05 0.00 2.00 0.00 0.00 34.13 32.31 1ppy s GLU 113 CO 0.88 -0.51 0.43 1.41 -0.56 0.00 0.00 175.26 176.91 1ppy s MET 114 N 2.75 4.04 0.11 4.30 -2.45 -1.26 -2.08 119.30 124.72 1ppy s MET 114 Ca 0.45 0.42 0.06 0.00 -1.25 0.00 0.00 55.69 55.37 1ppy s MET 114 Cb -0.16 -3.28 -0.04 0.00 1.25 0.00 0.00 34.83 32.61 1ppy s MET 114 CO 0.10 0.56 -0.14 0.15 1.05 0.00 0.00 175.02 176.74 1ppy s LYS 115 N -0.66 0.98 0.22 4.11 -0.14 0.10 -4.99 119.74 119.37 1ppy s LYS 115 Ca 0.24 -1.18 0.09 0.00 -1.36 0.00 0.00 55.97 53.77 1ppy s LYS 115 Cb -0.16 -0.90 0.15 0.00 -1.68 0.00 0.00 37.83 35.24 1ppy s LYS 115 CO 0.13 0.18 1.49 0.07 -0.76 0.00 0.00 175.35 176.45 1ppy h ARG 116 N 3.69 0.00 -5.11 1.68 0.11 -1.88 -1.25 114.38 111.62 1ppy h ARG 116 Ca -0.40 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.14 1ppy h ARG 116 Cb 1.19 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.14 1ppy h ARG 116 CO 0.48 0.75 -0.54 0.95 0.10 0.00 0.00 179.97 181.71 1ppy s THR 117 N -3.28 0.84 -2.47 0.08 -4.23 -1.26 -4.71 115.64 100.61 1ppy s THR 117 Ca -0.00 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.79 1ppy s THR 117 Cb 0.12 -2.47 0.57 0.00 1.34 0.00 0.00 72.50 72.05 1ppy s THR 117 CO 0.78 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 176.64