#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uil s SER 2 N 0.00 -0.05 -0.15 1.61 0.01 -1.26 -5.18 113.70 108.69 1uil s SER 2 Ca 0.00 0.07 -0.20 0.00 1.31 0.00 0.00 55.95 57.13 1uil s SER 2 Cb 0.00 1.04 0.05 0.00 0.21 0.00 0.00 66.02 67.32 1uil s SER 2 CO 0.00 -0.01 0.52 -0.55 0.41 0.00 0.00 173.24 173.61 1uil s SER 3 N 1.67 -0.52 0.00 2.44 0.15 -1.26 -5.16 113.70 111.02 1uil s SER 3 Ca -0.03 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.49 1uil s SER 3 Cb -0.01 0.88 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 1uil s SER 3 CO -0.14 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.62 1uil n GLY 4 N 2.26 2.22 2.67 9.45 0.00 -1.26 -5.12 105.19 115.42 1uil n GLY 4 Ca -0.16 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 1uil n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uil s SER 5 N 0.00 -0.09 -0.07 1.61 0.15 -1.26 -5.11 113.70 108.93 1uil s SER 5 Ca 0.00 -2.08 -0.03 0.00 0.70 0.00 0.00 55.95 54.55 1uil s SER 5 Cb 0.00 0.92 0.04 0.00 -1.71 0.00 0.00 66.02 65.27 1uil s SER 5 CO 0.00 -0.13 0.09 -0.55 1.20 0.00 0.00 173.24 173.85 1uil s SER 6 N 0.77 1.21 0.00 5.45 0.15 -1.26 -5.07 113.70 114.94 1uil s SER 6 Ca 0.28 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1uil s SER 6 Cb -0.02 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1uil s SER 6 CO -0.09 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1uil n GLY 7 N 5.30 1.66 3.68 9.45 0.00 -1.26 -5.16 105.19 118.86 1uil n GLY 7 Ca -0.04 0.23 0.05 0.00 0.00 0.00 0.00 46.02 46.26 1uil n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uil n LEU 8 N 0.00 0.00 -4.31 0.99 4.77 -1.26 -4.71 117.00 112.47 1uil n LEU 8 Ca 0.00 0.41 -0.35 0.00 -0.03 0.00 0.00 56.01 56.04 1uil n LEU 8 Cb 0.00 -1.29 -0.09 0.00 -2.33 0.00 0.00 43.42 39.71 1uil n LEU 8 CO 0.00 -1.10 -0.32 -1.84 -1.33 0.00 0.00 177.39 172.80 1uil n GLU 9 N -1.71 -0.84 -1.54 3.23 0.28 -1.26 -4.62 120.64 114.17 1uil n GLU 9 Ca 0.00 0.11 -0.13 0.00 -0.16 0.00 0.00 57.16 56.98 1uil n GLU 9 Cb 0.17 -3.90 -0.10 0.00 1.43 0.00 0.00 31.44 29.04 1uil n GLU 9 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1uil n SER 10 N -2.55 1.26 -2.86 -1.84 7.64 -1.26 -4.54 113.62 109.46 1uil n SER 10 Ca -0.12 -1.83 -0.12 0.00 1.01 0.00 0.00 58.87 57.82 1uil n SER 10 Cb 0.56 -1.58 0.05 0.00 -1.01 0.00 0.00 64.21 62.23 1uil n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1uil n GLU 11 N 8.16 1.05 -3.62 1.43 1.02 -1.26 -5.05 120.64 122.38 1uil n GLU 11 Ca 0.44 -2.56 -0.29 0.00 -0.02 0.00 0.00 57.16 54.73 1uil n GLU 11 Cb 0.43 -1.11 -0.13 0.00 -0.02 0.00 0.00 31.44 30.60 1uil n GLU 11 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1uil s GLU 12 N -1.07 0.81 -0.00 3.49 -6.30 -1.26 -5.10 118.70 109.25 1uil s GLU 12 Ca 0.28 -1.43 -0.03 0.00 -2.50 0.00 0.00 54.97 51.30 1uil s GLU 12 Cb 0.35 -1.80 -0.00 0.00 0.00 0.00 0.00 34.13 32.68 1uil s GLU 12 CO -0.05 -1.13 0.05 0.54 0.02 0.00 0.00 175.26 174.69 1uil s VAL 13 N 1.04 0.05 0.37 3.70 0.11 -1.26 -5.16 120.40 119.24 1uil s VAL 13 Ca 0.15 -0.43 0.04 0.00 -2.93 0.00 0.00 61.98 58.81 1uil s VAL 13 Cb -0.22 -0.22 -0.06 0.00 -1.53 0.00 0.00 36.38 34.36 1uil s VAL 13 CO -0.08 -0.24 0.06 -1.81 -3.33 0.00 0.00 175.10 169.69 1uil s ASP 14 N -0.74 2.82 0.01 3.54 1.01 -1.26 -5.09 116.67 116.96 1uil s ASP 14 Ca -0.08 -1.44 -0.00 0.00 0.71 0.00 0.00 52.55 51.73 1uil s ASP 14 Cb -0.05 0.00 -0.00 0.00 1.01 0.00 0.00 42.92 43.88 1uil s ASP 14 CO 0.00 -0.65 -0.01 -0.11 0.21 0.00 0.00 175.17 174.61 1uil n LEU 15 N -0.81 0.17 0.07 1.23 -0.00 -1.26 -4.68 117.00 111.71 1uil n LEU 15 Ca -0.05 0.02 -0.23 0.00 -0.00 0.00 0.00 56.01 55.76 1uil n LEU 15 Cb 0.66 -0.14 -0.15 0.00 -0.00 0.00 0.00 43.42 43.80 1uil n LEU 15 CO 0.42 -0.52 -0.44 0.78 -0.00 0.00 0.00 177.39 177.63 1uil h ASN 16 N -0.02 0.61 -0.61 1.96 2.35 -2.00 -3.35 115.58 114.51 1uil h ASN 16 Ca 0.00 -0.92 0.12 0.00 -0.55 0.00 0.00 56.30 54.95 1uil h ASN 16 Cb 0.02 -0.20 -0.12 0.00 0.05 0.00 0.00 38.32 38.08 1uil h ASN 16 CO 0.00 1.73 -0.24 0.00 -1.65 0.00 0.00 177.43 177.27 1uil h ALA 17 N 0.09 0.20 -0.05 -0.83 0.00 -2.00 1.57 119.26 118.24 1uil h ALA 17 Ca -0.31 0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1uil h ALA 17 Cb 2.03 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 20.44 1uil h ALA 17 CO 0.17 -0.54 0.38 0.78 0.00 0.00 0.00 179.25 180.03 1uil h GLY 18 N -0.09 0.00 0.00 0.00 0.00 -1.84 0.17 103.07 101.31 1uil h GLY 18 Ca 0.27 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.50 1uil h GLY 18 CO -0.67 0.00 -0.62 -2.00 0.00 0.00 0.00 176.54 173.24 1uil h LEU 19 N 0.00 0.00 -0.13 3.11 5.85 0.20 -3.39 115.31 120.96 1uil h LEU 19 Ca 0.03 -0.65 0.02 0.00 0.84 0.00 0.00 57.88 58.12 1uil h LEU 19 Cb 0.78 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1uil h LEU 19 CO -0.00 1.19 -0.36 0.45 -0.34 0.00 0.00 178.44 179.38 1uil h HIS 20 N -1.00 -1.09 0.00 1.25 3.86 0.67 -3.48 115.15 115.36 1uil h HIS 20 Ca -0.17 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1uil h HIS 20 Cb 1.06 0.49 0.00 0.00 1.06 0.00 0.00 27.41 30.02 1uil h HIS 20 CO 0.15 -0.35 0.00 0.41 0.86 0.00 0.00 177.93 178.99 1uil n GLY 21 N -1.28 1.41 2.76 2.45 0.00 -0.68 -4.92 105.19 104.93 1uil n GLY 21 Ca -0.04 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 1uil n GLY 21 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uil n ASN 22 N 0.00 3.81 -3.96 1.61 4.13 -1.26 -4.80 115.26 114.79 1uil n ASN 22 Ca 0.00 -2.82 -0.30 0.00 1.68 0.00 0.00 54.58 53.13 1uil n ASN 22 Cb 0.00 -1.61 -0.14 0.00 -1.54 0.00 0.00 39.78 36.48 1uil n ASN 22 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1uil s TRP 23 N 3.34 3.30 0.12 3.10 0.23 -1.26 -4.24 118.94 123.52 1uil s TRP 23 Ca 0.48 -3.02 -0.05 0.00 -2.03 0.00 0.00 56.10 51.48 1uil s TRP 23 Cb 0.14 -2.77 -0.05 0.00 0.03 0.00 0.00 33.47 30.81 1uil s TRP 23 CO -0.07 -0.83 0.36 0.95 0.96 0.00 0.00 176.95 178.32 1uil s THR 24 N 0.28 5.18 0.28 2.01 -4.23 -1.26 -4.74 115.64 113.16 1uil s THR 24 Ca 0.14 0.08 0.18 0.00 -1.18 0.00 0.00 61.69 60.91 1uil s THR 24 Cb -0.23 -3.62 0.29 0.00 1.34 0.00 0.00 72.50 70.28 1uil s THR 24 CO -0.04 0.11 1.09 0.18 -0.54 0.00 0.00 174.62 175.42 1uil n LEU 25 N 0.31 0.20 0.24 4.79 4.77 -1.26 0.12 117.00 126.16 1uil n LEU 25 Ca -0.04 1.07 -0.10 0.00 -0.03 0.00 0.00 56.01 56.91 1uil n LEU 25 Cb 0.52 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1uil n LEU 25 CO 0.47 -1.19 0.34 -0.33 -1.33 0.00 0.00 177.39 175.36 1uil h GLU 26 N 0.00 -0.61 0.11 3.23 5.08 -1.93 -2.31 114.58 118.15 1uil h GLU 26 Ca 0.60 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 59.01 1uil h GLU 26 Cb 1.73 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 31.08 1uil h GLU 26 CO -0.45 -0.41 -0.39 -0.91 -1.00 0.00 0.00 179.01 175.85 1uil h ASN 27 N -0.88 -1.17 -0.85 1.42 -0.26 0.55 -0.12 115.58 114.26 1uil h ASN 27 Ca -0.06 0.12 0.19 0.00 -0.56 0.00 0.00 56.30 55.99 1uil h ASN 27 Cb 0.49 0.43 -0.16 0.00 -1.06 0.00 0.00 38.32 38.02 1uil h ASN 27 CO 0.11 -0.42 -0.13 0.00 -1.06 0.00 0.00 177.43 175.93 1uil n ALA 28 N -2.79 0.29 -0.35 -0.83 0.00 0.95 0.14 120.51 117.92 1uil n ALA 28 Ca -0.07 0.93 0.00 0.00 0.00 0.00 0.00 53.44 54.30 1uil n ALA 28 Cb 0.31 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1uil n ALA 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uil n LYS 29 N -5.33 0.00 -0.19 0.00 3.00 -0.42 -0.89 118.16 114.32 1uil n LYS 29 Ca 0.16 0.36 -0.08 0.00 -0.00 0.00 0.00 58.31 58.75 1uil n LYS 29 Cb 0.51 -1.33 -0.07 0.00 0.00 0.00 0.00 35.03 34.15 1uil n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uil h ALA 30 N -1.95 -0.48 -0.88 3.14 0.00 0.68 0.22 119.26 119.99 1uil h ALA 30 Ca 0.00 0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.11 1uil h ALA 30 Cb 0.00 1.13 -0.16 0.00 0.00 0.00 0.00 17.79 18.77 1uil h ALA 30 CO 0.00 -0.71 -0.27 -2.13 0.00 0.00 0.00 179.25 176.14 1uil n ARG 31 N -4.48 -0.13 -0.05 0.00 3.00 0.37 0.69 116.66 116.05 1uil n ARG 31 Ca -0.00 1.36 -0.13 0.00 -0.00 0.00 0.00 57.85 59.08 1uil n ARG 31 Cb 0.20 -2.03 -0.08 0.00 0.00 0.00 0.00 32.46 30.55 1uil n ARG 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1uil h LEU 32 N 0.00 -1.57 -1.20 6.15 5.85 0.14 0.59 115.31 125.27 1uil h LEU 32 Ca 0.37 0.20 0.16 0.00 0.84 0.00 0.00 57.88 59.46 1uil h LEU 32 Cb 0.59 0.64 -0.08 0.00 0.37 0.00 0.00 40.66 42.18 1uil h LEU 32 CO -0.89 -0.43 0.60 0.78 -0.34 0.00 0.00 178.44 178.16 1uil h ASN 33 N -0.48 0.69 -0.17 1.25 4.21 0.93 0.26 115.58 122.26 1uil h ASN 33 Ca 0.07 0.06 -0.01 0.00 1.21 0.00 0.00 56.30 57.63 1uil h ASN 33 Cb 0.64 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.75 1uil h ASN 33 CO -0.48 0.31 0.08 1.56 -1.29 0.00 0.00 177.43 177.62 1uil h GLN 34 N 0.71 0.25 -0.57 0.81 1.08 0.25 0.25 115.11 117.89 1uil h GLN 34 Ca 0.50 -0.04 0.08 0.00 -1.45 0.00 0.00 58.65 57.74 1uil h GLN 34 Cb 0.82 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.17 1uil h GLN 34 CO -0.26 0.28 0.38 -0.92 -0.95 0.00 0.00 178.83 177.36 1uil h TYR 35 N 0.15 0.48 0.00 2.96 3.20 0.20 0.65 116.97 124.60 1uil h TYR 35 Ca 0.06 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1uil h TYR 35 Cb 0.12 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 1uil h TYR 35 CO -0.03 0.24 -0.46 0.74 -1.64 0.00 0.00 178.16 177.02 1uil h PHE 36 N 0.46 0.00 0.17 -3.82 0.04 -0.74 -2.38 116.94 110.67 1uil h PHE 36 Ca 0.25 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.69 1uil h PHE 36 Cb 0.39 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.55 1uil h PHE 36 CO -0.00 0.13 -1.61 1.96 -0.60 0.00 0.00 178.31 178.19 1uil h GLN 37 N 0.00 0.35 0.26 1.51 1.08 0.19 0.42 115.11 118.92 1uil h GLN 37 Ca -0.01 -0.60 -0.01 0.00 -1.45 0.00 0.00 58.65 56.57 1uil h GLN 37 Cb 1.11 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 1uil h GLN 37 CO 0.01 1.25 -0.13 0.87 -0.95 0.00 0.00 178.83 179.89 1uil h LYS 38 N 0.10 -0.34 0.00 1.46 1.79 0.10 -3.17 116.57 116.50 1uil h LYS 38 Ca -0.28 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1uil h LYS 38 Cb 2.07 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.80 1uil h LYS 38 CO 0.19 -0.04 0.00 0.93 -1.08 0.00 0.00 179.45 179.44 1uil h GLU 39 N -0.99 0.00 -0.68 3.15 4.39 -1.60 -3.46 114.58 115.39 1uil h GLU 39 Ca -0.04 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.52 1uil h GLU 39 Cb 0.45 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 1uil h GLU 39 CO 0.06 0.00 -0.16 1.63 -1.16 0.00 0.00 179.01 179.38 1uil n LYS 40 N -2.54 -0.53 -2.06 2.33 4.76 -0.56 -5.01 118.16 114.54 1uil n LYS 40 Ca 0.01 0.54 -0.29 0.00 -2.87 0.00 0.00 58.31 55.71 1uil n LYS 40 Cb 0.23 -4.39 0.05 0.00 -1.84 0.00 0.00 35.03 29.07 1uil n LYS 40 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1uil s ILE 41 N -2.31 3.26 -0.09 -0.18 1.01 0.14 -4.95 121.20 118.08 1uil s ILE 41 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.89 1uil s ILE 41 Cb 0.00 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 39.11 1uil s ILE 41 CO 0.00 -0.46 -0.13 0.00 0.00 0.00 0.00 174.94 174.35 1uil s GLN 42 N -5.27 1.89 -0.28 2.79 0.00 -1.26 -4.52 119.66 113.01 1uil s GLN 42 Ca 0.58 -0.45 -0.14 0.00 -0.00 0.00 0.00 55.36 55.34 1uil s GLN 42 Cb -0.11 -1.61 0.09 0.00 0.00 0.00 0.00 33.01 31.38 1uil s GLN 42 CO 0.49 -0.03 0.66 0.20 0.00 0.00 0.00 175.29 176.61 1uil s GLY 43 N 0.89 -0.64 0.35 2.60 0.00 -1.26 -5.11 107.32 104.15 1uil s GLY 43 Ca -0.10 2.35 0.01 0.00 0.00 0.00 0.00 44.72 46.99 1uil s GLY 43 CO 0.01 2.51 0.11 -1.84 0.00 0.00 0.00 173.10 173.89 1uil n GLU 44 N 4.58 1.09 -4.18 2.90 0.28 -1.26 -5.06 120.64 118.98 1uil n GLU 44 Ca -0.18 -2.38 -0.25 0.00 -0.16 0.00 0.00 57.16 54.19 1uil n GLU 44 Cb 0.57 0.49 -0.07 0.00 1.43 0.00 0.00 31.44 33.86 1uil n GLU 44 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1uil s TYR 45 N -2.04 2.92 -0.32 -1.84 1.51 -1.26 -4.69 117.35 111.63 1uil s TYR 45 Ca 0.08 -0.13 0.03 0.00 -1.01 0.00 0.00 57.07 56.05 1uil s TYR 45 Cb -0.01 -1.37 0.09 0.00 -0.11 0.00 0.00 41.96 40.57 1uil s TYR 45 CO 0.05 0.54 0.03 0.21 -1.11 0.00 0.00 175.55 175.27 1uil s LYS 46 N -3.29 1.48 -0.22 -0.62 2.47 0.13 -4.93 119.74 114.75 1uil s LYS 46 Ca 0.30 -1.64 -0.19 0.00 -1.56 0.00 0.00 55.97 52.87 1uil s LYS 46 Cb -0.09 -2.96 -0.03 0.00 -1.46 0.00 0.00 37.83 33.30 1uil s LYS 46 CO 0.21 -0.88 0.58 0.71 0.16 0.00 0.00 175.35 176.13 1uil s TYR 47 N 1.06 3.34 -0.30 4.03 2.02 -1.25 0.82 117.35 127.08 1uil s TYR 47 Ca 0.07 0.81 0.01 0.00 -0.37 0.00 0.00 57.07 57.60 1uil s TYR 47 Cb -0.19 -2.75 0.07 0.00 -0.40 0.00 0.00 41.96 38.69 1uil s TYR 47 CO -0.10 -0.19 -0.03 0.99 -1.57 0.00 0.00 175.55 174.65 1uil s THR 48 N 1.98 2.53 0.11 -0.71 2.01 0.25 -4.79 115.64 117.03 1uil s THR 48 Ca 0.26 -1.71 -0.31 0.00 0.31 0.00 0.00 61.69 60.24 1uil s THR 48 Cb -0.16 -2.56 -0.08 0.00 0.01 0.00 0.00 72.50 69.72 1uil s THR 48 CO 0.10 -0.20 1.37 -1.58 -0.69 0.00 0.00 174.62 173.61 1uil s GLN 49 N 1.12 4.33 0.30 4.92 -0.44 -1.26 0.16 119.66 128.79 1uil s GLN 49 Ca -0.03 2.04 0.03 0.00 -2.50 0.00 0.00 55.36 54.90 1uil s GLN 49 Cb -0.20 -3.26 -0.04 0.00 -1.64 0.00 0.00 33.01 27.87 1uil s GLN 49 CO -0.04 -0.41 0.14 0.14 0.50 0.00 0.00 175.29 175.62 1uil s VAL 50 N 1.07 0.40 0.25 1.34 -7.23 -0.58 -4.92 120.40 110.73 1uil s VAL 50 Ca 0.64 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 1uil s VAL 50 Cb -0.36 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.05 1uil s VAL 50 CO 0.30 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.70 1uil n GLY 51 N -0.58 -1.82 3.82 2.32 0.00 -1.26 -2.18 105.19 105.48 1uil n GLY 51 Ca 0.00 -1.27 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 1uil n GLY 51 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uil s PRO 52 N -2.02 3.09 0.11 1.61 0.04 -1.14 -4.71 135.00 131.99 1uil s PRO 52 Ca 0.00 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.78 1uil s PRO 52 Cb 0.00 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 1uil s PRO 52 CO 0.00 -0.98 1.62 0.22 0.04 0.00 0.00 177.00 177.90 1uil h ASP 53 N -0.31 -0.93 -0.99 6.66 1.82 -1.97 0.25 116.42 120.95 1uil h ASP 53 Ca -0.45 0.10 0.36 0.00 -0.39 0.00 0.00 57.03 56.65 1uil h ASP 53 Cb 1.21 0.35 -0.17 0.00 0.68 0.00 0.00 39.33 41.40 1uil h ASP 53 CO 0.57 -0.42 0.44 1.12 -1.61 0.00 0.00 179.24 179.34 1uil h HIS 54 N -0.58 0.67 -2.42 0.28 2.07 -1.99 -3.08 115.15 110.10 1uil h HIS 54 Ca 0.02 0.05 -0.55 0.00 -2.85 0.00 0.00 60.37 57.04 1uil h HIS 54 Cb 0.59 -0.13 -0.37 0.00 2.57 0.00 0.00 27.41 30.07 1uil h HIS 54 CO -0.27 -0.38 -0.86 1.21 -3.07 0.00 0.00 177.93 174.56 1uil s ASN 55 N -4.73 2.24 0.43 3.10 2.47 -0.30 -5.13 114.94 113.02 1uil s ASN 55 Ca -0.10 -2.35 0.06 0.00 0.42 0.00 0.00 52.86 50.90 1uil s ASN 55 Cb 0.32 -0.25 -0.06 0.00 -1.45 0.00 0.00 41.25 39.81 1uil s ASN 55 CO 0.78 -0.26 0.08 0.00 -3.72 0.00 0.00 177.10 173.98 1uil s ARG 56 N 0.84 2.09 -0.23 0.43 1.70 0.74 -2.86 118.95 121.66 1uil s ARG 56 Ca 0.22 -2.06 -0.12 0.00 -0.47 0.00 0.00 55.73 53.31 1uil s ARG 56 Cb -0.14 -1.75 0.08 0.00 -0.57 0.00 0.00 34.95 32.56 1uil s ARG 56 CO -0.05 -0.13 0.54 -1.12 -1.08 0.00 0.00 175.30 173.45 1uil s SER 57 N -3.81 -0.71 -0.56 -2.89 0.01 -0.93 -4.97 113.70 99.84 1uil s SER 57 Ca 0.33 1.20 -0.27 0.00 1.31 0.00 0.00 55.95 58.52 1uil s SER 57 Cb 0.07 1.19 0.03 0.00 0.21 0.00 0.00 66.02 67.52 1uil s SER 57 CO 0.18 -0.22 1.08 -0.36 0.41 0.00 0.00 173.24 174.33 1uil s PHE 58 N 1.74 2.70 -0.61 2.43 0.08 -1.22 -1.53 117.98 121.56 1uil s PHE 58 Ca -0.09 0.26 -0.27 0.00 0.12 0.00 0.00 56.93 56.96 1uil s PHE 58 Cb -0.08 -4.32 -0.01 0.00 -0.57 0.00 0.00 43.02 38.04 1uil s PHE 58 CO -0.16 -1.47 1.78 0.42 -0.10 0.00 0.00 175.22 175.70 1uil s ILE 59 N 4.51 3.41 -0.48 0.64 1.01 0.42 -4.14 121.20 126.57 1uil s ILE 59 Ca 0.38 0.25 -0.24 0.00 0.00 0.00 0.00 60.65 61.05 1uil s ILE 59 Cb -0.09 -4.04 0.03 0.00 0.01 0.00 0.00 42.46 38.37 1uil s ILE 59 CO 0.23 -0.99 0.87 0.00 0.00 0.00 0.00 174.94 175.05 1uil s ALA 60 N 8.54 3.24 0.01 9.38 0.00 -0.48 0.85 121.76 143.30 1uil s ALA 60 Ca 0.64 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.65 1uil s ALA 60 Cb -0.13 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 1uil s ALA 60 CO 0.21 -2.10 -0.23 -1.83 0.00 0.00 0.00 175.76 171.81 1uil s GLU 61 N 3.60 2.04 0.01 0.00 -1.05 0.24 -2.19 118.70 121.36 1uil s GLU 61 Ca 0.32 -0.98 -0.05 0.00 -0.15 0.00 0.00 54.97 54.11 1uil s GLU 61 Cb -0.12 -2.10 -0.01 0.00 -0.44 0.00 0.00 34.13 31.47 1uil s GLU 61 CO 0.23 0.55 0.09 1.41 0.95 0.00 0.00 175.26 178.48 1uil s MET 62 N -1.03 0.47 -0.01 -4.83 1.75 -0.57 0.17 119.30 115.25 1uil s MET 62 Ca 0.12 -0.53 0.00 0.00 -1.25 0.00 0.00 55.69 54.03 1uil s MET 62 Cb -0.10 0.19 0.01 0.00 2.84 0.00 0.00 34.83 37.76 1uil s MET 62 CO 0.02 -0.11 0.00 0.99 -0.65 0.00 0.00 175.02 175.27 1uil s THR 63 N -1.68 0.02 0.05 10.11 2.01 -1.26 0.13 115.64 125.02 1uil s THR 63 Ca -0.13 0.04 0.01 0.00 0.31 0.00 0.00 61.69 61.92 1uil s THR 63 Cb -0.07 -0.06 -0.03 0.00 0.01 0.00 0.00 72.50 72.35 1uil s THR 63 CO -0.00 0.04 -0.05 0.27 -0.69 0.00 0.00 174.62 174.18 1uil s ILE 64 N 0.29 0.38 -0.05 1.82 -4.36 0.02 -4.95 121.20 114.35 1uil s ILE 64 Ca -0.02 -1.35 0.06 0.00 -0.26 0.00 0.00 60.65 59.07 1uil s ILE 64 Cb -0.04 -0.91 -0.02 0.00 1.25 0.00 0.00 42.46 42.74 1uil s ILE 64 CO -0.01 -0.65 -0.23 -0.47 0.24 0.00 0.00 174.94 173.83 1uil s TYR 65 N -2.39 2.47 -0.23 1.37 6.14 -1.26 0.04 117.35 123.49 1uil s TYR 65 Ca -0.04 -0.49 -0.04 0.00 0.64 0.00 0.00 57.07 57.14 1uil s TYR 65 Cb -0.03 -1.58 0.00 0.00 0.42 0.00 0.00 41.96 40.77 1uil s TYR 65 CO -0.03 -0.06 -0.03 0.42 0.64 0.00 0.00 175.55 176.48 1uil s ILE 66 N -0.43 3.32 0.07 3.14 -1.09 0.27 -4.95 121.20 121.54 1uil s ILE 66 Ca 0.04 -0.63 -0.12 0.00 -2.23 0.00 0.00 60.65 57.72 1uil s ILE 66 Cb -0.12 -2.57 -0.26 0.00 -1.58 0.00 0.00 42.46 37.93 1uil s ILE 66 CO 0.01 0.34 1.16 0.07 -1.23 0.00 0.00 174.94 175.29 1uil h LYS 67 N 8.11 0.56 0.00 2.79 2.10 -1.95 0.32 116.57 128.50 1uil h LYS 67 Ca -0.39 -0.71 0.00 0.00 -2.00 0.00 0.00 60.65 57.55 1uil h LYS 67 Cb 1.15 0.23 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 1uil h LYS 67 CO 0.60 1.31 0.00 -0.56 -2.00 0.00 0.00 179.45 178.79 1uil h GLN 68 N 0.27 0.00 0.00 0.07 3.07 -1.93 -2.19 115.11 114.40 1uil h GLN 68 Ca -0.15 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.30 1uil h GLN 68 Cb 1.83 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 29.34 1uil h GLN 68 CO 0.22 0.00 -2.07 1.28 0.09 0.00 0.00 178.83 178.35 1uil n LEU 69 N -2.74 2.18 0.00 0.06 4.77 -1.15 -5.01 117.00 115.10 1uil n LEU 69 Ca -0.02 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1uil n LEU 69 Cb 0.08 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1uil n LEU 69 CO 0.17 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1uil n GLY 70 N 2.45 0.86 2.76 -0.72 0.00 0.11 -5.05 105.19 105.60 1uil n GLY 70 Ca -0.31 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 1uil n GLY 70 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1uil n ARG 71 N -2.25 0.39 -4.03 1.61 1.85 -0.75 -4.99 116.66 108.50 1uil n ARG 71 Ca 0.00 -2.87 -0.11 0.00 -1.00 0.00 0.00 57.85 53.87 1uil n ARG 71 Cb 0.00 2.23 -0.11 0.00 -1.05 0.00 0.00 32.46 33.52 1uil n ARG 71 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 1uil s ARG 72 N -3.19 0.43 0.10 2.89 1.70 -1.26 0.97 118.95 120.60 1uil s ARG 72 Ca 0.32 -0.69 0.08 0.00 -0.47 0.00 0.00 55.73 54.96 1uil s ARG 72 Cb 0.02 -0.11 -0.04 0.00 -0.57 0.00 0.00 34.95 34.24 1uil s ARG 72 CO 0.22 0.01 -0.15 0.96 -1.08 0.00 0.00 175.30 175.26 1uil s ILE 73 N -1.43 3.07 0.13 4.99 -4.36 0.11 -4.96 121.20 118.75 1uil s ILE 73 Ca -0.13 -1.36 0.07 0.00 -0.26 0.00 0.00 60.65 58.97 1uil s ILE 73 Cb -0.10 -2.41 -0.04 0.00 1.25 0.00 0.00 42.46 41.16 1uil s ILE 73 CO -0.00 0.13 -0.16 0.12 0.24 0.00 0.00 174.94 175.27 1uil s PHE 74 N -1.15 1.57 0.06 1.37 2.19 -1.26 -0.80 117.98 119.96 1uil s PHE 74 Ca 0.19 -0.51 0.00 0.00 0.33 0.00 0.00 56.93 56.95 1uil s PHE 74 Cb -0.11 -0.81 -0.04 0.00 -1.31 0.00 0.00 43.02 40.75 1uil s PHE 74 CO 0.11 0.20 -0.05 0.00 1.83 0.00 0.00 175.22 177.32 1uil s ALA 75 N -1.94 0.63 -0.35 11.12 0.00 0.34 -4.89 121.76 126.66 1uil s ALA 75 Ca 0.10 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 1uil s ALA 75 Cb -0.06 0.20 0.19 0.00 0.00 0.00 0.00 23.12 23.44 1uil s ALA 75 CO 0.04 -0.27 0.93 0.50 0.00 0.00 0.00 175.76 176.96 1uil s ARG 76 N -3.40 0.36 0.09 0.00 3.52 -1.26 -1.52 118.95 116.74 1uil s ARG 76 Ca 0.04 -0.10 0.03 0.00 -0.13 0.00 0.00 55.73 55.58 1uil s ARG 76 Cb 0.03 0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.43 1uil s ARG 76 CO -0.06 -0.52 0.08 -1.21 -0.81 0.00 0.00 175.30 172.77 1uil s GLU 77 N 1.97 2.87 -0.79 5.12 0.41 -0.93 -4.95 118.70 122.40 1uil s GLU 77 Ca 0.15 -0.71 -0.02 0.00 -0.41 0.00 0.00 54.97 53.99 1uil s GLU 77 Cb 0.01 -2.72 0.35 0.00 -1.78 0.00 0.00 34.13 29.99 1uil s GLU 77 CO -0.13 0.56 2.07 0.72 -0.49 0.00 0.00 175.26 177.99 1uil n HIS 78 N 0.40 2.93 -0.61 1.61 8.25 -1.26 -1.38 115.22 125.16 1uil n HIS 78 Ca -0.09 -2.41 -0.19 0.00 -0.26 0.00 0.00 57.72 54.77 1uil n HIS 78 Cb 0.52 -1.24 0.12 0.00 1.12 0.00 0.00 29.99 30.51 1uil n HIS 78 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1uil n GLY 79 N -0.51 -2.36 0.01 -1.41 0.00 -1.26 -4.84 105.19 94.83 1uil n GLY 79 Ca 0.55 -0.66 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 1uil n GLY 79 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1uil h SER 80 N -2.39 0.00 -1.06 1.61 0.87 -1.91 -3.34 113.55 107.33 1uil h SER 80 Ca -0.27 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 59.76 1uil h SER 80 Cb 0.81 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.73 1uil h SER 80 CO 0.17 0.11 -0.32 0.54 -0.53 0.00 0.00 176.83 176.80 1uil s ASN 81 N -3.62 4.87 0.10 6.23 2.20 -1.26 -3.45 114.94 120.00 1uil s ASN 81 Ca -0.01 -0.97 -0.34 0.00 -0.94 0.00 0.00 52.86 50.61 1uil s ASN 81 Cb 0.00 -0.08 -0.15 0.00 -2.00 0.00 0.00 41.25 39.02 1uil s ASN 81 CO 0.01 -0.91 1.53 0.11 -2.94 0.00 0.00 177.10 174.91 1uil h LYS 82 N 0.84 -0.76 0.00 3.55 1.57 -1.94 0.20 116.57 120.04 1uil h LYS 82 Ca -0.38 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1uil h LYS 82 Cb 1.28 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.76 1uil h LYS 82 CO 0.56 -0.50 0.00 1.17 -0.57 0.00 0.00 179.45 180.10 1uil n LYS 83 N -5.37 0.00 0.00 3.15 4.81 -1.26 0.94 118.16 120.42 1uil n LYS 83 Ca -0.09 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 1uil n LYS 83 Cb 0.41 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 34.09 1uil n LYS 83 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1uil n LEU 84 N -2.32 0.00 -0.07 3.14 4.77 -1.15 0.29 117.00 121.66 1uil n LEU 84 Ca 0.00 0.89 -0.02 0.00 -0.03 0.00 0.00 56.01 56.86 1uil n LEU 84 Cb 0.00 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 1uil n LEU 84 CO 0.00 -0.39 0.40 0.00 -1.33 0.00 0.00 177.39 176.06 1uil n ALA 85 N -2.57 -0.11 -0.21 -1.18 0.00 0.71 -0.50 120.51 116.64 1uil n ALA 85 Ca 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.53 1uil n ALA 85 Cb 0.00 0.29 -0.05 0.00 0.00 0.00 0.00 19.45 19.69 1uil n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uil n ALA 86 N -2.93 -0.33 -0.21 0.00 0.00 0.27 0.01 120.51 117.32 1uil n ALA 86 Ca 0.00 0.43 -0.06 0.00 0.00 0.00 0.00 53.44 53.82 1uil n ALA 86 Cb 0.04 0.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.62 1uil n ALA 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1uil n GLN 87 N -4.14 -0.22 -0.22 0.00 6.02 0.15 0.10 117.38 119.05 1uil n GLN 87 Ca 0.01 1.21 -0.01 0.00 -0.01 0.00 0.00 57.00 58.20 1uil n GLN 87 Cb 0.13 -1.80 0.06 0.00 1.02 0.00 0.00 30.24 29.65 1uil n GLN 87 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1uil h SER 88 N 0.00 -0.79 -0.26 1.08 0.02 0.81 0.14 113.55 114.55 1uil h SER 88 Ca 0.08 0.21 0.05 0.00 -0.84 0.00 0.00 61.79 61.29 1uil h SER 88 Cb 0.21 0.47 -0.08 0.00 0.14 0.00 0.00 62.40 63.14 1uil h SER 88 CO -0.47 -0.25 -0.45 0.00 -1.14 0.00 0.00 176.83 174.51 1uil h ALA 90 N 0.17 -0.66 -0.97 0.00 0.00 0.18 0.25 119.26 118.23 1uil h ALA 90 Ca 0.09 -0.03 0.34 0.00 0.00 0.00 0.00 54.91 55.32 1uil h ALA 90 Cb 0.62 0.68 -0.18 0.00 0.00 0.00 0.00 17.79 18.91 1uil h ALA 90 CO -0.49 -0.72 0.30 -0.11 0.00 0.00 0.00 179.25 178.23 1uil n LEU 91 N -3.60 0.14 -0.03 0.00 7.94 0.24 0.14 117.00 121.83 1uil n LEU 91 Ca -0.03 1.62 -0.09 0.00 -1.11 0.00 0.00 56.01 56.40 1uil n LEU 91 Cb 0.15 -0.70 -0.03 0.00 0.53 0.00 0.00 43.42 43.37 1uil n LEU 91 CO 0.04 -1.74 0.69 0.28 -1.11 0.00 0.00 177.39 175.56 1uil h SER 92 N 0.00 -0.80 -0.04 1.96 0.02 0.17 0.50 113.55 115.37 1uil h SER 92 Ca 0.72 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.79 1uil h SER 92 Cb 1.74 0.36 -0.00 0.00 0.14 0.00 0.00 62.40 64.64 1uil h SER 92 CO -0.82 -0.29 -0.00 -0.07 -1.14 0.00 0.00 176.83 174.51 1uil h LEU 93 N -0.29 0.06 -0.43 5.07 -0.00 0.20 -2.62 115.31 117.30 1uil h LEU 93 Ca 0.12 -0.33 0.05 0.00 -0.00 0.00 0.00 57.88 57.73 1uil h LEU 93 Cb 0.47 -0.02 -0.08 0.00 -0.00 0.00 0.00 40.66 41.03 1uil h LEU 93 CO -0.36 0.37 -0.55 0.58 -0.00 0.00 0.00 178.44 178.49 1uil h VAL 94 N -0.25 0.01 -0.44 1.22 2.07 0.29 0.66 116.25 119.81 1uil h VAL 94 Ca 0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.60 1uil h VAL 94 Cb 0.34 0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 30.03 1uil h VAL 94 CO 0.00 0.00 -0.44 0.03 0.02 0.00 0.00 177.57 177.19 1uil h ARG 95 N -0.38 -0.30 -0.41 1.57 3.08 0.00 0.14 114.38 118.08 1uil h ARG 95 Ca 0.08 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.23 1uil h ARG 95 Cb 0.59 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.64 1uil h ARG 95 CO -0.61 -0.20 -0.03 1.96 -1.07 0.00 0.00 179.97 180.02 1uil h GLN 96 N -0.31 0.07 -0.32 0.04 4.20 -0.78 0.21 115.11 118.21 1uil h GLN 96 Ca 0.14 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.92 1uil h GLN 96 Cb 0.58 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.26 1uil h GLN 96 CO -0.60 0.05 -0.26 -0.07 -0.67 0.00 0.00 178.83 177.28 1uil h LEU 97 N 0.07 -0.85 0.77 1.46 3.38 0.22 0.45 115.31 120.82 1uil h LEU 97 Ca 0.20 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 1uil h LEU 97 Cb 0.30 0.41 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1uil h LEU 97 CO -0.37 -0.28 -0.47 0.22 0.09 0.00 0.00 178.44 177.63 1uil h TYR 98 N -0.23 -1.25 -0.18 1.13 3.20 0.22 1.01 116.97 120.88 1uil h TYR 98 Ca 0.16 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1uil h TYR 98 Cb 0.48 0.44 -0.04 0.00 1.54 0.00 0.00 36.73 39.15 1uil h TYR 98 CO -0.45 -0.71 -0.33 1.25 -1.64 0.00 0.00 178.16 176.29 1uil h HIS 99 N -1.17 -0.99 -0.67 -3.82 -0.00 -0.18 -0.55 115.15 107.77 1uil h HIS 99 Ca -0.10 0.04 0.13 0.00 -0.00 0.00 0.00 60.37 60.45 1uil h HIS 99 Cb 0.93 0.46 -0.13 0.00 -0.00 0.00 0.00 27.41 28.67 1uil h HIS 99 CO -0.10 -0.30 -0.18 -0.07 -0.00 0.00 0.00 177.93 177.27 1uil h LEU 100 N -0.28 -0.67 0.00 0.26 3.38 -0.09 -3.45 115.31 114.46 1uil h LEU 100 Ca 0.03 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1uil h LEU 100 Cb 0.37 0.43 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1uil h LEU 100 CO -0.32 -0.23 0.00 0.61 0.09 0.00 0.00 178.44 178.59 1uil n GLY 101 N -1.46 0.42 0.65 0.83 0.00 0.70 -5.08 105.19 101.25 1uil n GLY 101 Ca 0.08 -0.55 -0.03 0.00 0.00 0.00 0.00 46.02 45.53 1uil n GLY 101 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1uil n VAL 102 N 0.00 0.18 -3.34 1.61 0.31 0.32 -4.98 118.33 112.42 1uil n VAL 102 Ca 0.00 -0.05 -0.12 0.00 -0.01 0.00 0.00 64.34 64.16 1uil n VAL 102 Cb 0.00 -1.28 0.02 0.00 -0.91 0.00 0.00 33.84 31.67 1uil n VAL 102 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1uil n ILE 103 N -2.99 0.00 -3.94 2.52 -5.35 -1.22 -4.95 119.36 103.44 1uil n ILE 103 Ca -0.06 -1.11 -0.11 0.00 -0.27 0.00 0.00 62.75 61.20 1uil n ILE 103 Cb 0.55 -0.51 -0.13 0.00 -1.74 0.00 0.00 39.64 37.81 1uil n ILE 103 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1uil s GLU 104 N -3.33 0.16 0.15 6.28 -1.05 -1.26 -4.63 118.70 115.03 1uil s GLU 104 Ca 0.26 -0.27 -0.31 0.00 -0.15 0.00 0.00 54.97 54.50 1uil s GLU 104 Cb -0.02 0.00 -0.18 0.00 -0.44 0.00 0.00 34.13 33.50 1uil s GLU 104 CO 0.16 -0.01 0.68 0.00 0.95 0.00 0.00 175.26 177.04 1uil n ALA 105 N 2.46 -2.96 -1.48 -0.84 0.00 -1.26 -4.88 120.51 111.55 1uil n ALA 105 Ca -0.17 0.48 -0.31 0.00 0.00 0.00 0.00 53.44 53.43 1uil n ALA 105 Cb 0.58 -1.66 0.06 0.00 0.00 0.00 0.00 19.45 18.42 1uil n ALA 105 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1uil s TYR 106 N -0.74 2.89 -0.19 0.00 5.04 -1.26 -4.92 117.35 118.17 1uil s TYR 106 Ca 0.71 1.48 0.13 0.00 -2.44 0.00 0.00 57.07 56.95 1uil s TYR 106 Cb -1.00 -2.97 0.43 0.00 0.35 0.00 0.00 41.96 38.76 1uil s TYR 106 CO 0.56 -1.42 1.21 0.45 -1.34 0.00 0.00 175.55 175.01 1uil n SER 107 N -3.05 1.99 -0.02 4.32 2.88 -1.26 -4.31 113.62 114.17 1uil n SER 107 Ca 0.08 -3.61 -0.00 0.00 -1.33 0.00 0.00 58.87 54.01 1uil n SER 107 Cb 0.53 -0.48 -0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1uil n SER 107 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1uil h SER 108 N 1.17 -0.08 0.00 -3.46 0.87 -1.94 -3.47 113.55 106.64 1uil h SER 108 Ca 0.01 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1uil h SER 108 Cb 1.18 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1uil h SER 108 CO 0.10 -0.01 0.00 0.61 -0.53 0.00 0.00 176.83 177.00 1uil n GLY 109 N -1.01 2.38 3.79 5.77 0.00 -1.26 -5.16 105.19 109.70 1uil n GLY 109 Ca 0.00 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 1uil n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uil s PRO 110 N 1.18 4.06 -0.03 1.61 0.04 -1.26 -4.98 135.00 135.62 1uil s PRO 110 Ca 0.00 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 1uil s PRO 110 Cb 0.00 -2.43 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1uil s PRO 110 CO 0.00 -0.22 1.39 0.45 0.04 0.00 0.00 177.00 178.66 1uil s SER 111 N -1.66 6.86 -0.27 6.66 0.15 -1.26 -4.98 113.70 119.20 1uil s SER 111 Ca 0.60 2.04 -0.03 0.00 0.70 0.00 0.00 55.95 59.26 1uil s SER 111 Cb -0.21 -2.55 0.15 0.00 -1.71 0.00 0.00 66.02 61.70 1uil s SER 111 CO 0.26 -0.74 0.51 -0.55 1.20 0.00 0.00 173.24 173.93 1uil s SER 112 N 2.03 -0.70 0.00 5.45 0.15 -1.26 -5.19 113.70 114.18 1uil s SER 112 Ca 0.63 0.77 0.00 0.00 0.70 0.00 0.00 55.95 58.05 1uil s SER 112 Cb -0.30 1.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.77 1uil s SER 112 CO 0.25 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.03