#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwp n HIS 3 N 0.00 3.32 -4.19 -0.32 8.25 -1.26 -4.56 115.22 116.46 1uwp n HIS 3 Ca 0.00 -2.94 -0.20 0.00 -0.26 0.00 0.00 57.72 54.32 1uwp n HIS 3 Cb 0.00 -1.77 -0.16 0.00 1.12 0.00 0.00 29.99 29.18 1uwp n HIS 3 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1uwp s VAL 4 N -0.50 0.58 0.08 1.59 1.01 -1.26 -5.15 120.40 116.75 1uwp s VAL 4 Ca 0.37 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.02 1uwp s VAL 4 Cb 0.04 -0.60 -0.07 0.00 0.00 0.00 0.00 36.38 35.76 1uwp s VAL 4 CO 0.02 0.24 0.55 0.00 0.00 0.00 0.00 175.10 175.91 1uwp s ALA 5 N 0.90 3.60 0.15 5.51 0.00 -1.26 -4.67 121.76 125.99 1uwp s ALA 5 Ca -0.11 -0.03 -0.34 0.00 0.00 0.00 0.00 51.96 51.48 1uwp s ALA 5 Cb -0.14 -2.58 -0.15 0.00 0.00 0.00 0.00 23.12 20.25 1uwp s ALA 5 CO 0.00 0.42 1.45 0.34 0.00 0.00 0.00 175.76 177.98 1uwp n PHE 6 N 1.54 1.97 -0.86 0.00 -0.00 -1.26 -1.89 117.46 116.95 1uwp n PHE 6 Ca -0.10 0.43 0.00 0.00 -0.00 0.00 0.00 57.45 57.78 1uwp n PHE 6 Cb 0.51 -2.45 0.00 0.00 -0.00 0.00 0.00 39.48 37.54 1uwp n PHE 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1uwp n GLY 7 N 2.87 0.73 3.75 7.13 0.00 -1.26 -5.02 105.19 113.39 1uwp n GLY 7 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1uwp n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uwp n SER 8 N 0.00 3.38 0.18 1.61 3.41 -0.79 -4.88 113.62 116.52 1uwp n SER 8 Ca 0.00 1.18 0.04 0.00 -0.26 0.00 0.00 58.87 59.83 1uwp n SER 8 Cb 0.00 -1.58 0.47 0.00 -0.26 0.00 0.00 64.21 62.84 1uwp n SER 8 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1uwp h GLU 9 N 2.60 0.10 -0.37 4.33 4.57 -1.95 -2.63 114.58 121.22 1uwp h GLU 9 Ca -0.50 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 57.52 1uwp h GLU 9 Cb 1.26 -0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 29.75 1uwp h GLU 9 CO 0.62 0.24 0.01 -0.25 -1.18 0.00 0.00 179.01 178.45 1uwp n ASP 10 N -4.33 3.07 -0.13 1.04 8.00 -1.26 -4.77 116.55 118.18 1uwp n ASP 10 Ca -0.02 -3.50 0.12 0.00 0.71 0.00 0.00 54.79 52.11 1uwp n ASP 10 Cb 0.24 -0.62 0.48 0.00 -0.02 0.00 0.00 41.12 41.19 1uwp n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1uwp h ILE 11 N 1.29 0.87 -0.12 0.53 2.10 -1.84 -0.28 117.51 120.06 1uwp h ILE 11 Ca 0.18 -0.16 -0.05 0.00 1.08 0.00 0.00 64.86 65.91 1uwp h ILE 11 Cb 1.69 0.37 -0.01 0.00 -1.09 0.00 0.00 36.82 37.78 1uwp h ILE 11 CO 0.39 0.08 -0.16 1.05 -1.08 0.00 0.00 178.15 178.44 1uwp h GLU 12 N 0.46 0.19 -0.12 2.19 9.09 -1.86 -0.64 114.58 123.89 1uwp h GLU 12 Ca 0.32 -0.04 -0.13 0.00 0.05 0.00 0.00 59.36 59.56 1uwp h GLU 12 Cb 0.62 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.70 1uwp h GLU 12 CO -0.10 0.35 -0.41 -0.91 0.05 0.00 0.00 179.01 177.99 1uwp h ASN 13 N 0.18 0.57 -0.67 3.06 4.21 -1.44 -2.96 115.58 118.53 1uwp h ASN 13 Ca 0.04 -0.61 -0.05 0.00 1.21 0.00 0.00 56.30 56.88 1uwp h ASN 13 Cb 0.39 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.40 1uwp h ASN 13 CO 0.02 1.09 0.21 0.74 -1.29 0.00 0.00 177.43 178.20 1uwp h THR 14 N 0.09 1.25 -0.00 2.81 2.02 -1.12 -2.78 112.91 115.18 1uwp h THR 14 Ca -0.02 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1uwp h THR 14 Cb 1.04 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1uwp h THR 14 CO 0.09 0.33 -0.03 0.18 0.37 0.00 0.00 175.52 176.46 1uwp n LEU 15 N -4.34 0.40 0.26 2.58 4.32 -0.28 -3.33 117.00 116.61 1uwp n LEU 15 Ca 0.05 -0.06 0.11 0.00 -0.02 0.00 0.00 56.01 56.09 1uwp n LEU 15 Cb 0.22 -0.08 0.68 0.00 -1.62 0.00 0.00 43.42 42.62 1uwp n LEU 15 CO 0.41 0.07 0.96 0.00 -1.22 0.00 0.00 177.39 177.61 1uwp h ALA 16 N 3.89 1.36 -1.22 -1.18 0.00 -1.31 -3.46 119.26 117.34 1uwp h ALA 16 Ca 0.00 -0.12 -0.74 0.00 0.00 0.00 0.00 54.91 54.05 1uwp h ALA 16 Cb 0.22 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.84 1uwp h ALA 16 CO 0.00 0.17 1.78 0.36 0.00 0.00 0.00 179.25 181.56 1uwp n LYS 17 N -3.77 3.45 -3.80 0.00 0.00 -1.21 -5.14 118.16 107.69 1uwp n LYS 17 Ca -0.02 -3.62 -0.02 0.00 -0.00 0.00 0.00 58.31 54.65 1uwp n LYS 17 Cb 0.24 -3.03 0.00 0.00 -0.00 0.00 0.00 35.03 32.24 1uwp n LYS 17 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1uwp s ASP 19 N 2.05 -0.07 0.22 -5.58 1.47 -1.26 -5.03 116.67 108.47 1uwp s ASP 19 Ca 0.42 -0.42 -0.09 0.00 1.18 0.00 0.00 52.55 53.64 1uwp s ASP 19 Cb 0.04 0.39 0.23 0.00 -0.34 0.00 0.00 42.92 43.24 1uwp s ASP 19 CO 0.00 -0.74 1.84 0.44 0.68 0.00 0.00 175.17 177.40 1uwp h ASP 20 N 2.00 0.73 -0.86 2.11 3.32 -1.99 -1.86 116.42 119.87 1uwp h ASP 20 Ca -0.27 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 1uwp h ASP 20 Cb 1.22 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 1uwp h ASP 20 CO 0.30 0.49 0.50 1.23 -1.72 0.00 0.00 179.24 180.05 1uwp h GLY 21 N 0.87 1.26 1.35 2.75 0.00 -2.01 -2.26 103.07 105.03 1uwp h GLY 21 Ca 0.31 -0.54 -0.17 0.00 0.00 0.00 0.00 47.33 46.93 1uwp h GLY 21 CO -0.14 0.52 -0.53 1.46 0.00 0.00 0.00 176.54 177.86 1uwp h GLN 22 N 1.19 0.68 -0.07 4.80 4.20 -1.84 -2.80 115.11 121.28 1uwp h GLN 22 Ca 0.31 -0.42 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 1uwp h GLN 22 Cb -0.02 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1uwp h GLN 22 CO -0.05 1.04 -0.08 -0.07 -0.67 0.00 0.00 178.83 179.00 1uwp h LEU 23 N 0.53 0.09 -0.62 1.46 3.38 -1.01 -0.66 115.31 118.49 1uwp h LEU 23 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1uwp h LEU 23 Cb 1.09 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1uwp h LEU 23 CO 0.11 0.18 0.00 0.47 0.09 0.00 0.00 178.44 179.29 1uwp n ASP 24 N -4.39 0.50 -0.05 -0.43 8.00 -0.88 -2.03 116.55 117.28 1uwp n ASP 24 Ca -0.02 0.64 0.14 0.00 0.71 0.00 0.00 54.79 56.26 1uwp n ASP 24 Cb 0.19 -0.74 0.67 0.00 -0.02 0.00 0.00 41.12 41.22 1uwp n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uwp n GLY 25 N -0.19 -1.16 3.80 0.44 0.00 -0.25 -4.66 105.19 103.16 1uwp n GLY 25 Ca 0.02 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1uwp n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uwp s LEU 26 N -2.58 3.65 0.00 0.99 1.43 -0.86 -1.30 118.68 120.00 1uwp s LEU 26 Ca 0.27 1.89 0.25 0.00 -1.03 0.00 0.00 54.13 55.50 1uwp s LEU 26 Cb 0.20 -4.55 1.10 0.00 0.03 0.00 0.00 46.19 42.97 1uwp s LEU 26 CO 0.48 -1.03 1.80 0.00 0.23 0.00 0.00 176.35 177.83 1uwp n ALA 27 N -1.58 2.15 -2.25 4.21 0.00 -1.26 -4.72 120.51 117.06 1uwp n ALA 27 Ca 0.09 -0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1uwp n ALA 27 Cb 0.53 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 1uwp n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1uwp s PHE 28 N -2.91 1.07 0.35 0.00 -0.12 -1.26 -5.05 117.98 110.06 1uwp s PHE 28 Ca 0.14 -0.81 -0.28 0.00 -0.05 0.00 0.00 56.93 55.94 1uwp s PHE 28 Cb 0.16 -0.58 -0.10 0.00 -0.63 0.00 0.00 43.02 41.88 1uwp s PHE 28 CO 0.43 -0.03 1.31 0.20 -0.05 0.00 0.00 175.22 177.08 1uwp s GLY 29 N -3.00 2.98 -0.05 1.99 0.00 0.44 -4.60 107.32 105.08 1uwp s GLY 29 Ca 0.13 1.27 -0.02 0.00 0.00 0.00 0.00 44.72 46.09 1uwp s GLY 29 CO -0.02 1.90 0.10 0.00 0.00 0.00 0.00 173.10 175.08 1uwp s ALA 30 N -1.17 -0.06 -0.04 3.20 0.00 -1.26 -1.18 121.76 121.25 1uwp s ALA 30 Ca 0.51 0.46 0.05 0.00 0.00 0.00 0.00 51.96 52.98 1uwp s ALA 30 Cb -0.39 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 1uwp s ALA 30 CO 0.52 -0.28 -0.19 0.42 0.00 0.00 0.00 175.76 176.23 1uwp s ILE 31 N 1.53 1.59 -0.15 0.00 1.01 0.09 -1.38 121.20 123.88 1uwp s ILE 31 Ca -0.04 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.76 1uwp s ILE 31 Cb -0.12 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 1uwp s ILE 31 CO -0.05 0.45 -0.06 -1.58 0.00 0.00 0.00 174.94 173.71 1uwp s GLN 32 N -0.10 3.60 0.10 2.79 0.74 -0.34 -0.66 119.66 125.80 1uwp s GLN 32 Ca -0.02 -0.56 0.09 0.00 0.05 0.00 0.00 55.36 54.93 1uwp s GLN 32 Cb -0.11 -2.85 -0.04 0.00 1.10 0.00 0.00 33.01 31.11 1uwp s GLN 32 CO 0.02 0.23 -0.21 -0.51 -0.55 0.00 0.00 175.29 174.27 1uwp s LEU 33 N 0.37 2.56 0.95 3.68 1.43 0.69 -0.32 118.68 128.04 1uwp s LEU 33 Ca -0.06 -0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 52.31 1uwp s LEU 33 Cb -0.15 -1.45 0.19 0.00 0.03 0.00 0.00 46.19 44.82 1uwp s LEU 33 CO 0.04 0.20 1.31 1.51 0.23 0.00 0.00 176.35 179.63 1uwp s ASP 34 N -1.94 3.20 0.54 2.29 1.47 -0.36 -0.46 116.67 121.41 1uwp s ASP 34 Ca 0.16 0.25 0.35 0.00 1.18 0.00 0.00 52.55 54.50 1uwp s ASP 34 Cb -0.10 -0.32 1.68 0.00 -0.34 0.00 0.00 42.92 43.84 1uwp s ASP 34 CO 0.08 -2.68 2.06 1.23 0.68 0.00 0.00 175.17 176.54 1uwp h GLY 35 N -1.59 0.00 0.87 2.12 0.00 -1.91 -0.94 103.07 101.62 1uwp h GLY 35 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1uwp h GLY 35 CO 0.39 0.00 -0.30 1.22 0.00 0.00 0.00 176.54 177.85 1uwp n ASP 36 N -2.91 0.59 0.00 0.19 8.00 -1.26 -4.95 116.55 116.22 1uwp n ASP 36 Ca -0.01 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.08 1uwp n ASP 36 Cb 0.19 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1uwp n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uwp n GLY 37 N 1.41 0.81 3.76 0.44 0.00 -0.36 -4.89 105.19 106.37 1uwp n GLY 37 Ca 0.09 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1uwp n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uwp s ASN 38 N -2.00 7.29 -0.25 1.61 0.01 -1.26 -0.25 114.94 120.08 1uwp s ASN 38 Ca 0.00 2.25 -0.27 0.00 -0.71 0.00 0.00 52.86 54.12 1uwp s ASN 38 Cb 0.00 -2.63 0.01 0.00 0.41 0.00 0.00 41.25 39.04 1uwp s ASN 38 CO 0.00 -0.12 0.97 -0.63 -1.51 0.00 0.00 177.10 175.81 1uwp s ILE 39 N -1.17 4.70 -0.20 0.60 1.01 -0.18 -1.22 121.20 124.75 1uwp s ILE 39 Ca 0.44 1.81 0.07 0.00 0.00 0.00 0.00 60.65 62.97 1uwp s ILE 39 Cb -0.31 -4.26 -0.21 0.00 0.01 0.00 0.00 42.46 37.68 1uwp s ILE 39 CO 0.40 -0.20 0.04 0.18 0.00 0.00 0.00 174.94 175.36 1uwp n LEU 40 N 6.31 1.83 -3.85 2.97 4.77 0.56 -0.54 117.00 129.04 1uwp n LEU 40 Ca 0.10 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 1uwp n LEU 40 Cb 0.47 -0.41 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 1uwp n LEU 40 CO 0.52 0.74 -0.14 -1.10 -1.33 0.00 0.00 177.39 176.07 1uwp s GLN 41 N -2.52 0.49 -0.28 3.23 -0.21 -1.09 -4.92 119.66 114.36 1uwp s GLN 41 Ca -0.23 -0.32 0.00 0.00 0.02 0.00 0.00 55.36 54.83 1uwp s GLN 41 Cb 0.08 0.21 0.17 0.00 1.00 0.00 0.00 33.01 34.47 1uwp s GLN 41 CO 0.72 -0.12 0.52 -0.47 -2.12 0.00 0.00 175.29 173.82 1uwp s TYR 42 N -1.27 -1.39 0.69 0.91 6.14 -1.26 -1.19 117.35 119.98 1uwp s TYR 42 Ca -0.13 1.21 -0.05 0.00 0.64 0.00 0.00 57.07 58.74 1uwp s TYR 42 Cb -0.07 0.30 0.07 0.00 0.42 0.00 0.00 41.96 42.68 1uwp s TYR 42 CO 0.02 -0.89 0.99 0.54 0.64 0.00 0.00 175.55 176.85 1uwp s ASN 43 N 2.74 4.78 0.22 4.32 4.22 -0.48 -4.73 114.94 126.01 1uwp s ASN 43 Ca 0.16 0.32 -0.07 0.00 -2.14 0.00 0.00 52.86 51.13 1uwp s ASN 43 Cb -0.14 -0.97 0.18 0.00 1.28 0.00 0.00 41.25 41.61 1uwp s ASN 43 CO -0.22 -1.59 1.75 0.00 -2.04 0.00 0.00 177.10 175.00 1uwp h ALA 44 N -0.54 1.02 -0.69 3.54 0.00 -1.84 -2.21 119.26 118.54 1uwp h ALA 44 Ca -0.44 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.21 1uwp h ALA 44 Cb 1.31 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1uwp h ALA 44 CO 0.57 0.65 0.28 0.00 0.00 0.00 0.00 179.25 180.75 1uwp h ALA 45 N 1.16 1.20 -0.51 0.00 0.00 -1.83 -0.40 119.26 118.87 1uwp h ALA 45 Ca 0.23 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1uwp h ALA 45 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1uwp h ALA 45 CO -0.00 0.59 0.00 1.49 0.00 0.00 0.00 179.25 181.32 1uwp h GLU 46 N 0.99 0.85 -0.12 0.00 4.57 -1.70 -2.30 114.58 116.87 1uwp h GLU 46 Ca 0.23 -0.24 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 1uwp h GLU 46 Cb 0.18 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1uwp h GLU 46 CO -0.02 0.85 -0.22 0.78 -1.18 0.00 0.00 179.01 179.22 1uwp h GLY 47 N 0.98 0.21 1.51 1.92 0.00 -0.81 -0.58 103.07 106.31 1uwp h GLY 47 Ca 0.15 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1uwp h GLY 47 CO 0.02 0.14 -0.36 -0.55 0.00 0.00 0.00 176.54 175.79 1uwp h ASP 48 N 0.18 0.57 -0.23 0.19 3.32 -0.79 0.12 116.42 119.79 1uwp h ASP 48 Ca 0.03 -0.24 -0.17 0.00 0.02 0.00 0.00 57.03 56.67 1uwp h ASP 48 Cb 0.50 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1uwp h ASP 48 CO 0.03 0.89 -0.53 0.40 -1.72 0.00 0.00 179.24 178.31 1uwp h ILE 49 N 0.46 1.30 0.00 0.35 2.04 -0.81 -3.38 117.51 117.47 1uwp h ILE 49 Ca 0.05 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 64.17 1uwp h ILE 49 Cb 0.85 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1uwp h ILE 49 CO 0.07 0.55 -1.30 0.35 0.00 0.00 0.00 178.15 177.82 1uwp n THR 50 N -4.09 0.00 0.00 -0.27 -2.24 -0.30 -4.99 114.28 102.39 1uwp n THR 50 Ca -0.06 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1uwp n THR 50 Cb 0.62 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 1uwp n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uwp n GLY 51 N 1.50 2.64 3.77 3.38 0.00 0.39 -5.03 105.19 111.84 1uwp n GLY 51 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1uwp n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uwp s ARG 52 N -0.30 3.99 -0.36 1.61 3.00 -1.25 -4.98 118.95 120.66 1uwp s ARG 52 Ca 0.00 2.18 -0.23 0.00 0.00 0.00 0.00 55.73 57.68 1uwp s ARG 52 Cb 0.00 -2.78 0.01 0.00 0.00 0.00 0.00 34.95 32.18 1uwp s ARG 52 CO 0.00 -0.49 0.77 0.34 0.00 0.00 0.00 175.30 175.93 1uwp s ASP 53 N -0.69 6.55 0.21 0.23 -1.08 -1.26 -4.37 116.67 116.25 1uwp s ASP 53 Ca 0.56 0.35 -0.12 0.00 -0.52 0.00 0.00 52.55 52.82 1uwp s ASP 53 Cb -0.39 -2.39 0.25 0.00 -1.46 0.00 0.00 42.92 38.93 1uwp s ASP 53 CO 0.50 -0.71 1.65 -0.65 0.52 0.00 0.00 175.17 176.47 1uwp h PRO 54 N 8.46 0.06 0.00 4.34 0.11 -1.89 -1.00 132.00 142.08 1uwp h PRO 54 Ca -0.25 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1uwp h PRO 54 Cb 1.10 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1uwp h PRO 54 CO 0.90 0.04 -0.08 0.87 -0.21 0.00 0.00 178.00 179.52 1uwp h LYS 55 N 0.06 0.00 0.00 1.05 1.57 -1.94 -1.96 116.57 115.35 1uwp h LYS 55 Ca 0.30 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.95 1uwp h LYS 55 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1uwp h LYS 55 CO -0.55 0.08 -0.64 1.96 -0.57 0.00 0.00 179.45 179.74 1uwp h GLN 56 N 0.00 0.00 0.00 3.15 4.20 -1.60 -3.31 115.11 117.55 1uwp h GLN 56 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1uwp h GLN 56 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1uwp h GLN 56 CO 0.01 0.64 -1.12 1.33 -0.67 0.00 0.00 178.83 179.01 1uwp n VAL 57 N -3.56 0.13 -1.88 -0.54 0.24 -0.78 -4.81 118.33 107.12 1uwp n VAL 57 Ca -0.00 -0.24 -0.42 0.00 -2.04 0.00 0.00 64.34 61.64 1uwp n VAL 57 Cb 0.68 0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 33.31 1uwp n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1uwp s ILE 58 N -3.21 2.53 0.00 1.34 1.01 -0.96 -1.21 121.20 120.72 1uwp s ILE 58 Ca 0.03 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.03 1uwp s ILE 58 Cb 0.15 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.39 1uwp s ILE 58 CO 0.82 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.39 1uwp n GLY 59 N 3.84 0.65 3.92 6.18 0.00 0.30 -4.98 105.19 115.09 1uwp n GLY 59 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1uwp n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uwp s LYS 60 N -0.78 3.43 -0.25 1.61 1.02 -0.35 -4.70 119.74 119.72 1uwp s LYS 60 Ca 0.00 0.01 -0.24 0.00 0.02 0.00 0.00 55.97 55.76 1uwp s LYS 60 Cb 0.00 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.86 1uwp s LYS 60 CO 0.00 -0.19 0.79 1.21 -0.92 0.00 0.00 175.35 176.24 1uwp s ASN 61 N -4.12 6.77 0.17 2.83 3.84 -1.26 -1.01 114.94 122.16 1uwp s ASN 61 Ca 0.47 0.94 -0.14 0.00 0.21 0.00 0.00 52.86 54.34 1uwp s ASN 61 Cb -0.10 -2.42 0.09 0.00 -0.55 0.00 0.00 41.25 38.28 1uwp s ASN 61 CO 0.42 -0.50 1.80 0.15 -2.79 0.00 0.00 177.10 176.18 1uwp h PHE 62 N 7.76 0.48 0.00 0.43 3.57 -0.97 -1.76 116.94 126.45 1uwp h PHE 62 Ca -0.24 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.06 1uwp h PHE 62 Cb 1.10 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 1uwp h PHE 62 CO 0.76 0.26 -1.12 0.74 -2.23 0.00 0.00 178.31 176.71 1uwp h PHE 63 N 0.52 0.00 0.10 0.41 0.04 -1.82 0.16 116.94 116.34 1uwp h PHE 63 Ca 0.20 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.66 1uwp h PHE 63 Cb 0.06 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 1uwp h PHE 63 CO -0.08 0.98 -1.67 -0.22 -0.60 0.00 0.00 178.31 176.72 1uwp h LYS 64 N 0.00 0.20 0.00 1.51 3.64 -1.86 -3.35 116.57 116.71 1uwp h LYS 64 Ca -0.06 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1uwp h LYS 64 Cb 1.80 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 1uwp h LYS 64 CO 0.12 1.17 -0.96 -0.25 -2.27 0.00 0.00 179.45 177.25 1uwp n ASP 65 N -3.83 2.50 -0.14 4.20 8.00 -0.71 -4.67 116.55 121.91 1uwp n ASP 65 Ca -0.30 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.08 1uwp n ASP 65 Cb 0.92 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 42.01 1uwp n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1uwp h VAL 66 N 0.00 1.28 -1.93 2.53 2.07 -1.42 -3.39 116.25 115.39 1uwp h VAL 66 Ca 0.00 -1.33 -0.49 0.00 0.82 0.00 0.00 66.70 65.70 1uwp h VAL 66 Cb 0.96 1.27 -0.40 0.00 -1.52 0.00 0.00 31.29 31.59 1uwp h VAL 66 CO 0.00 0.45 -1.08 0.00 0.02 0.00 0.00 177.57 176.95 1uwp n ALA 67 N -2.49 2.73 0.33 1.67 0.00 0.55 -4.92 120.51 118.38 1uwp n ALA 67 Ca -0.01 -3.64 0.20 0.00 0.00 0.00 0.00 53.44 49.99 1uwp n ALA 67 Cb 0.43 -0.88 1.12 0.00 0.00 0.00 0.00 19.45 20.12 1uwp n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1uwp h PRO 68 N 2.98 0.00 0.00 0.00 0.13 -1.74 0.11 132.00 133.48 1uwp h PRO 68 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1uwp h PRO 68 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1uwp h PRO 68 CO 0.57 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.34 1uwp n THR 70 N -2.36 0.00 -2.75 0.00 -2.24 0.37 -4.68 114.28 102.62 1uwp n THR 70 Ca 0.01 -0.22 -0.43 0.00 -2.27 0.00 0.00 64.05 61.14 1uwp n THR 70 Cb 0.20 0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 68.91 1uwp n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uwp s ASP 71 N -2.13 6.74 0.16 3.42 2.15 -0.33 -1.13 116.67 125.55 1uwp s ASP 71 Ca 0.34 -2.19 -0.23 0.00 0.43 0.00 0.00 52.55 50.90 1uwp s ASP 71 Cb 0.21 -2.49 0.07 0.00 -0.30 0.00 0.00 42.92 40.41 1uwp s ASP 71 CO 0.38 -1.14 0.63 -0.94 -0.17 0.00 0.00 175.17 173.93 1uwp s SER 72 N 3.96 -0.54 0.54 -0.34 1.04 -1.26 -4.97 113.70 112.13 1uwp s SER 72 Ca 0.43 -0.04 0.20 0.00 0.48 0.00 0.00 55.95 57.03 1uwp s SER 72 Cb -0.01 0.59 1.40 0.00 0.10 0.00 0.00 66.02 68.10 1uwp s SER 72 CO -0.04 -0.97 2.15 -0.65 0.98 0.00 0.00 173.24 174.71 1uwp h PRO 73 N 2.00 0.00 0.00 4.02 0.11 -1.94 -0.50 132.00 135.69 1uwp h PRO 73 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1uwp h PRO 73 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1uwp h PRO 73 CO 0.37 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.55 1uwp n GLU 74 N -4.37 0.23 0.00 1.05 4.71 -1.26 -2.88 120.64 118.12 1uwp n GLU 74 Ca -0.01 0.32 0.00 0.00 -0.01 0.00 0.00 57.16 57.46 1uwp n GLU 74 Cb 0.16 -1.84 0.00 0.00 -1.01 0.00 0.00 31.44 28.74 1uwp n GLU 74 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1uwp n PHE 75 N -2.26 0.00 -0.34 -0.32 -0.00 -1.02 -4.70 117.46 108.82 1uwp n PHE 75 Ca 0.04 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.56 1uwp n PHE 75 Cb 0.33 0.16 0.23 0.00 -0.00 0.00 0.00 39.48 40.20 1uwp n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1uwp h TYR 76 N 0.00 1.05 -0.67 -5.13 3.20 -0.57 -0.98 116.97 113.87 1uwp h TYR 76 Ca 0.00 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.93 1uwp h TYR 76 Cb 0.00 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 37.90 1uwp h TYR 76 CO 0.00 0.39 0.42 0.78 -1.64 0.00 0.00 178.16 178.11 1uwp h GLY 77 N 0.91 0.96 0.96 1.82 0.00 -1.08 0.87 103.07 107.51 1uwp h GLY 77 Ca 0.48 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.45 1uwp h GLY 77 CO -0.28 0.26 0.09 0.50 0.00 0.00 0.00 176.54 177.11 1uwp h LYS 78 N 0.81 0.76 0.19 4.80 1.57 -1.18 -1.98 116.57 121.54 1uwp h LYS 78 Ca 0.27 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1uwp h LYS 78 Cb 0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1uwp h LYS 78 CO -0.11 0.76 -0.20 0.35 -0.57 0.00 0.00 179.45 179.68 1uwp h PHE 79 N 0.63 -0.53 -0.01 -1.35 3.57 -0.62 -1.94 116.94 116.69 1uwp h PHE 79 Ca 0.14 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 1uwp h PHE 79 Cb 0.36 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1uwp h PHE 79 CO 0.02 -0.30 -0.35 1.57 -2.23 0.00 0.00 178.31 177.02 1uwp h LYS 80 N -0.43 0.02 -0.62 1.11 5.09 -0.80 -0.29 116.57 120.65 1uwp h LYS 80 Ca 0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 60.65 60.67 1uwp h LYS 80 Cb 0.41 -0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.71 1uwp h LYS 80 CO -0.06 0.37 0.11 1.49 -2.09 0.00 0.00 179.45 179.27 1uwp h GLU 81 N 0.02 1.01 -0.53 0.07 4.22 -1.21 -0.89 114.58 117.27 1uwp h GLU 81 Ca -0.00 -0.27 -0.09 0.00 0.08 0.00 0.00 59.36 59.08 1uwp h GLU 81 Cb 0.64 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1uwp h GLU 81 CO 0.05 0.95 -0.03 0.78 -2.18 0.00 0.00 179.01 178.58 1uwp h GLY 82 N 0.92 1.02 0.96 1.92 0.00 -0.43 -0.61 103.07 106.86 1uwp h GLY 82 Ca 0.19 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1uwp h GLY 82 CO 0.01 0.71 0.21 -2.08 0.00 0.00 0.00 176.54 175.39 1uwp h VAL 83 N 0.82 1.17 -0.57 4.60 2.07 -0.94 0.75 116.25 124.15 1uwp h VAL 83 Ca 0.15 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 1uwp h VAL 83 Cb 0.56 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1uwp h VAL 83 CO 0.03 0.18 0.08 0.00 0.02 0.00 0.00 177.57 177.89 1uwp h ALA 84 N 1.06 1.07 0.00 1.67 0.00 -0.95 -2.55 119.26 119.55 1uwp h ALA 84 Ca 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1uwp h ALA 84 Cb 0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1uwp h ALA 84 CO -0.02 0.60 -0.17 0.77 0.00 0.00 0.00 179.25 180.43 1uwp h SER 85 N 0.87 0.00 -0.40 0.00 0.02 -0.86 -3.47 113.55 109.71 1uwp h SER 85 Ca 0.18 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.01 1uwp h SER 85 Cb 0.40 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 1uwp h SER 85 CO 0.01 0.17 -0.12 0.61 -1.14 0.00 0.00 176.83 176.36 1uwp n GLY 86 N 0.89 0.70 3.24 -3.77 0.00 0.21 -5.03 105.19 101.43 1uwp n GLY 86 Ca 0.03 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 1uwp n GLY 86 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uwp s ASN 87 N -2.90 -0.41 -0.24 1.61 0.01 -0.90 -5.03 114.94 107.08 1uwp s ASN 87 Ca 0.00 0.76 -0.14 0.00 -0.71 0.00 0.00 52.86 52.78 1uwp s ASN 87 Cb 0.00 0.73 0.07 0.00 0.41 0.00 0.00 41.25 42.46 1uwp s ASN 87 CO 0.00 -0.15 0.60 -0.22 -1.51 0.00 0.00 177.10 175.82 1uwp s LEU 88 N 0.60 -0.68 -0.30 0.60 2.96 -1.26 -4.32 118.68 116.28 1uwp s LEU 88 Ca -0.03 1.31 0.06 0.00 -0.22 0.00 0.00 54.13 55.25 1uwp s LEU 88 Cb -0.05 2.04 0.20 0.00 0.50 0.00 0.00 46.19 48.88 1uwp s LEU 88 CO -0.04 -0.22 0.61 0.21 -1.32 0.00 0.00 176.35 175.59 1uwp s ASN 89 N 1.60 -1.58 0.15 3.68 2.47 -1.26 -1.26 114.94 118.74 1uwp s ASN 89 Ca -0.10 0.09 0.01 0.00 0.42 0.00 0.00 52.86 53.28 1uwp s ASN 89 Cb -0.06 2.00 -0.00 0.00 -1.45 0.00 0.00 41.25 41.73 1uwp s ASN 89 CO -0.18 -0.28 0.17 1.07 -3.72 0.00 0.00 177.10 174.17 1uwp n THR 90 N 5.30 0.00 0.00 -5.21 5.66 -1.26 -5.02 114.28 113.75 1uwp n THR 90 Ca 0.06 -0.91 0.00 0.00 -3.05 0.00 0.00 64.05 60.15 1uwp n THR 90 Cb 0.54 0.50 0.00 0.00 -1.55 0.00 0.00 70.33 69.83 1uwp n THR 90 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 1uwp n PHE 92 N -0.26 0.00 -2.86 1.09 -1.74 -0.15 -4.23 117.46 109.31 1uwp n PHE 92 Ca 0.02 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.61 1uwp n PHE 92 Cb 0.26 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.23 1uwp n PHE 92 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1uwp s GLU 93 N -3.21 3.76 0.15 3.97 2.02 -1.26 -0.35 118.70 123.78 1uwp s GLU 93 Ca 0.00 0.44 -0.21 0.00 0.02 0.00 0.00 54.97 55.22 1uwp s GLU 93 Cb 0.00 -2.40 0.06 0.00 0.10 0.00 0.00 34.13 31.89 1uwp s GLU 93 CO 0.00 -0.04 0.54 -0.47 0.02 0.00 0.00 175.26 175.32 1uwp s TYR 94 N -2.38 -0.44 -0.18 1.61 5.04 -0.35 -4.91 117.35 115.73 1uwp s TYR 94 Ca 0.51 0.20 -0.01 0.00 -2.44 0.00 0.00 57.07 55.33 1uwp s TYR 94 Cb -0.10 0.47 -0.00 0.00 0.35 0.00 0.00 41.96 42.67 1uwp s TYR 94 CO 0.32 -0.81 -0.11 0.99 -1.34 0.00 0.00 175.55 174.60 1uwp s THR 95 N -3.75 2.94 -0.24 4.34 2.01 -1.26 -0.70 115.64 118.99 1uwp s THR 95 Ca 0.01 -0.66 -0.18 0.00 0.31 0.00 0.00 61.69 61.17 1uwp s THR 95 Cb -0.00 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 1uwp s THR 95 CO -0.13 0.48 0.53 -0.36 -0.69 0.00 0.00 174.62 174.46 1uwp s PHE 96 N 1.06 3.31 0.00 4.92 0.08 0.54 -4.89 117.98 123.00 1uwp s PHE 96 Ca -0.00 0.72 0.00 0.00 0.12 0.00 0.00 56.93 57.77 1uwp s PHE 96 Cb -0.15 -2.72 0.00 0.00 -0.57 0.00 0.00 43.02 39.58 1uwp s PHE 96 CO -0.02 -0.22 0.75 -0.40 -0.10 0.00 0.00 175.22 175.23 1uwp n ASP 97 N 5.28 0.00 -4.61 1.36 5.68 -1.26 -0.99 116.55 122.01 1uwp n ASP 97 Ca -0.04 -1.55 -0.40 0.00 -0.50 0.00 0.00 54.79 52.30 1uwp n ASP 97 Cb 0.50 -0.11 -0.08 0.00 -1.14 0.00 0.00 41.12 40.29 1uwp n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1uwp s TYR 98 N 0.00 3.25 -1.17 2.11 5.04 -1.26 -4.78 117.35 120.54 1uwp s TYR 98 Ca 0.00 0.54 -0.17 0.00 -2.44 0.00 0.00 57.07 55.01 1uwp s TYR 98 Cb 0.00 -2.71 -0.01 0.00 0.35 0.00 0.00 41.96 39.58 1uwp s TYR 98 CO 0.00 -0.30 0.77 0.00 -1.34 0.00 0.00 175.55 174.68 1uwp n GLN 99 N 5.52 -1.73 -2.58 4.97 10.64 -1.26 -5.08 117.38 127.86 1uwp n GLN 99 Ca -0.05 0.49 -0.42 0.00 -1.83 0.00 0.00 57.00 55.19 1uwp n GLN 99 Cb 0.50 -4.36 -0.03 0.00 -0.86 0.00 0.00 30.24 25.49 1uwp n GLN 99 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1uwp s THR 101 N -3.52 4.49 0.19 -0.39 2.01 -1.26 -5.11 115.64 112.06 1uwp s THR 101 Ca 0.40 1.79 -0.33 0.00 0.31 0.00 0.00 61.69 63.86 1uwp s THR 101 Cb -0.14 -4.15 -0.14 0.00 0.01 0.00 0.00 72.50 68.09 1uwp s THR 101 CO 0.85 0.14 1.50 -2.65 -0.69 0.00 0.00 174.62 173.78 1uwp n PRO 102 N 3.91 2.08 -3.83 4.92 -0.02 -1.26 -4.76 135.00 136.03 1uwp n PRO 102 Ca 0.07 0.75 -0.22 0.00 -2.02 0.00 0.00 63.50 62.08 1uwp n PRO 102 Cb 0.49 -2.47 -0.17 0.00 -0.02 0.00 0.00 33.50 31.33 1uwp n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1uwp s THR 103 N 0.51 0.40 0.07 3.45 2.01 -0.16 -4.95 115.64 116.97 1uwp s THR 103 Ca 0.75 0.08 -0.28 0.00 0.31 0.00 0.00 61.69 62.55 1uwp s THR 103 Cb -0.67 -0.53 -0.05 0.00 0.01 0.00 0.00 72.50 71.25 1uwp s THR 103 CO 0.43 0.25 0.88 -0.75 -0.69 0.00 0.00 174.62 174.74 1uwp s LYS 104 N 1.78 4.60 0.12 4.92 2.20 -1.26 -0.34 119.74 131.77 1uwp s LYS 104 Ca 0.02 1.29 0.00 0.00 -0.36 0.00 0.00 55.97 56.93 1uwp s LYS 104 Cb -0.13 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1uwp s LYS 104 CO -0.04 0.21 -0.00 0.14 -0.36 0.00 0.00 175.35 175.30 1uwp s VAL 105 N 0.09 0.42 -0.16 4.02 -7.23 0.12 -2.83 120.40 114.83 1uwp s VAL 105 Ca 0.44 -1.92 -0.08 0.00 -1.81 0.00 0.00 61.98 58.61 1uwp s VAL 105 Cb -0.22 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 1uwp s VAL 105 CO 0.27 -0.64 0.09 -0.75 -0.31 0.00 0.00 175.10 173.76 1uwp s LYS 106 N -3.94 3.83 -0.08 4.82 2.20 0.22 -1.21 119.74 125.58 1uwp s LYS 106 Ca 0.19 -0.27 0.04 0.00 -0.36 0.00 0.00 55.97 55.56 1uwp s LYS 106 Cb 0.07 -3.23 -0.02 0.00 -1.51 0.00 0.00 37.83 33.14 1uwp s LYS 106 CO -0.01 0.43 -0.19 0.08 -0.36 0.00 0.00 175.35 175.30 1uwp s VAL 107 N -0.05 2.63 0.42 4.02 1.01 0.53 -1.50 120.40 127.45 1uwp s VAL 107 Ca 0.08 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1uwp s VAL 107 Cb -0.12 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1uwp s VAL 107 CO 0.00 0.56 0.08 -2.28 0.00 0.00 0.00 175.10 173.47 1uwp s HIS 108 N -0.19 1.88 0.00 5.22 2.46 0.02 -0.97 115.29 123.70 1uwp s HIS 108 Ca -0.01 -1.11 0.00 0.00 0.47 0.00 0.00 55.06 54.40 1uwp s HIS 108 Cb -0.13 -1.32 0.00 0.00 -0.13 0.00 0.00 32.58 30.99 1uwp s HIS 108 CO 0.03 -0.08 0.00 1.17 -2.47 0.00 0.00 174.74 173.40 1uwp n LYS 110 N -0.95 0.00 -1.89 2.88 4.81 -0.43 -0.43 118.16 122.14 1uwp n LYS 110 Ca -0.08 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.95 1uwp n LYS 110 Cb 0.66 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.70 1uwp n LYS 110 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1uwp s LYS 111 N -1.22 4.19 0.78 1.64 2.20 -0.39 -0.53 119.74 126.41 1uwp s LYS 111 Ca 0.00 2.46 -0.11 0.00 -0.36 0.00 0.00 55.97 57.96 1uwp s LYS 111 Cb 0.00 -3.03 0.06 0.00 -1.51 0.00 0.00 37.83 33.36 1uwp s LYS 111 CO 0.00 -0.47 1.10 0.00 -0.36 0.00 0.00 175.35 175.62 1uwp s ALA 112 N -0.66 2.16 0.07 3.13 0.00 -0.01 -4.81 121.76 121.64 1uwp s ALA 112 Ca 0.56 0.37 -0.21 0.00 0.00 0.00 0.00 51.96 52.67 1uwp s ALA 112 Cb -0.45 -3.31 -0.12 0.00 0.00 0.00 0.00 23.12 19.24 1uwp s ALA 112 CO 0.54 -1.86 1.59 1.25 0.00 0.00 0.00 175.76 177.28 1uwp h LEU 113 N -1.08 0.18 -9.85 0.00 5.85 -1.88 -3.45 115.31 105.08 1uwp h LEU 113 Ca -0.44 -0.19 -0.56 0.00 0.84 0.00 0.00 57.88 57.54 1uwp h LEU 113 Cb 1.24 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.14 1uwp h LEU 113 CO 0.50 0.32 -0.52 -0.55 -0.34 0.00 0.00 178.44 177.85 1uwp s SER 114 N -5.55 4.49 0.86 1.25 0.15 -1.26 -5.02 113.70 108.63 1uwp s SER 114 Ca -0.14 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.54 1uwp s SER 114 Cb 0.06 -0.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 1uwp s SER 114 CO 0.69 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1uwp n GLY 115 N -1.20 2.07 2.31 9.45 0.00 -1.26 -4.28 105.19 112.28 1uwp n GLY 115 Ca -0.02 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 1uwp n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1uwp n ASP 116 N 0.15 -0.36 -4.24 1.61 2.03 -1.26 -5.01 116.55 109.47 1uwp n ASP 116 Ca 0.00 -2.62 -0.15 0.00 0.52 0.00 0.00 54.79 52.54 1uwp n ASP 116 Cb 0.00 -0.39 -0.10 0.00 -0.72 0.00 0.00 41.12 39.91 1uwp n ASP 116 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1uwp s SER 117 N -0.70 1.79 -0.03 1.67 0.01 -1.26 -4.00 113.70 111.18 1uwp s SER 117 Ca 0.34 -0.96 -0.01 0.00 1.31 0.00 0.00 55.95 56.63 1uwp s SER 117 Cb 0.12 -0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.37 1uwp s SER 117 CO -0.15 -0.29 0.05 -0.31 0.41 0.00 0.00 173.24 172.95 1uwp s TYR 118 N -3.04 -0.01 0.12 2.43 1.51 0.39 -0.83 117.35 117.92 1uwp s TYR 118 Ca 0.14 0.21 -0.18 0.00 -1.01 0.00 0.00 57.07 56.22 1uwp s TYR 118 Cb 0.01 -0.22 -0.07 0.00 -0.11 0.00 0.00 41.96 41.56 1uwp s TYR 118 CO 0.01 -0.11 0.60 -1.58 -1.11 0.00 0.00 175.55 173.36 1uwp s TRP 119 N 1.16 3.74 -0.21 2.71 0.52 0.31 -0.22 118.94 126.95 1uwp s TRP 119 Ca -0.08 1.26 0.01 0.00 0.02 0.00 0.00 56.10 57.31 1uwp s TRP 119 Cb -0.13 -2.50 0.04 0.00 -1.15 0.00 0.00 33.47 29.74 1uwp s TRP 119 CO -0.04 0.50 -0.12 0.08 0.02 0.00 0.00 176.95 177.40 1uwp s VAL 120 N -1.27 1.78 -0.03 4.03 1.01 0.16 -1.32 120.40 124.76 1uwp s VAL 120 Ca 0.34 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1uwp s VAL 120 Cb -0.18 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1uwp s VAL 120 CO 0.20 0.19 -0.02 -0.36 0.00 0.00 0.00 175.10 175.11 1uwp s PHE 121 N 1.33 3.05 -0.01 5.22 0.08 0.43 -0.73 117.98 127.35 1uwp s PHE 121 Ca -0.02 0.09 -0.00 0.00 0.12 0.00 0.00 56.93 57.12 1uwp s PHE 121 Cb -0.16 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.60 1uwp s PHE 121 CO -0.08 0.43 0.02 0.08 -0.10 0.00 0.00 175.22 175.57 1uwp s VAL 122 N -0.98 -0.03 0.04 -0.44 1.01 -0.32 -0.80 120.40 118.88 1uwp s VAL 122 Ca 0.16 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 1uwp s VAL 122 Cb -0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 36.38 36.18 1uwp s VAL 122 CO 0.06 0.04 -0.03 -1.59 0.00 0.00 0.00 175.10 173.59 1uwp s LYS 123 N 0.53 0.50 0.49 2.72 -2.85 -0.57 -0.42 119.74 120.14 1uwp s LYS 123 Ca -0.04 -0.98 -0.22 0.00 -1.00 0.00 0.00 55.97 53.73 1uwp s LYS 123 Cb -0.06 0.17 -0.07 0.00 -2.06 0.00 0.00 37.83 35.81 1uwp s LYS 123 CO -0.02 -0.09 1.14 1.03 0.10 0.00 0.00 175.35 177.52 1uwp s ARG 124 N -2.96 3.64 0.00 1.78 0.52 -1.26 -0.61 118.95 120.06 1uwp s ARG 124 Ca -0.02 1.69 0.00 0.00 -0.52 0.00 0.00 55.73 56.88 1uwp s ARG 124 Cb 0.01 -2.27 0.00 0.00 0.52 0.00 0.00 34.95 33.21 1uwp s ARG 124 CO -0.06 -0.63 0.26 1.33 0.02 0.00 0.00 175.30 176.22