#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 -0.43 -0.11 1.61 0.15 -1.26 -5.18 113.70 108.49 1uil s SER 2 Ca 0.00 0.24 -0.33 0.00 0.70 0.00 0.00 55.95 56.56 1uil s SER 2 Cb 0.00 1.35 0.13 0.00 -1.71 0.00 0.00 66.02 65.79 1uil s SER 2 CO 0.00 -0.08 1.29 -0.55 1.20 0.00 0.00 173.24 175.10 1uil s SER 3 N 2.96 -0.07 0.00 5.45 0.15 -1.26 -5.19 113.70 115.74 1uil s SER 3 Ca 0.01 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1uil s SER 3 Cb -0.09 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1uil s SER 3 CO -0.12 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1uil n GLY 4 N -0.32 1.82 1.17 9.45 0.00 -1.26 -5.16 105.19 110.90 1uil n GLY 4 Ca -0.04 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1uil n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uil n SER 5 N 0.00 -5.93 -3.61 1.61 7.64 -1.26 -5.11 113.62 106.96 1uil n SER 5 Ca 0.00 0.74 -0.04 0.00 1.01 0.00 0.00 58.87 60.58 1uil n SER 5 Cb 0.00 -2.73 -0.02 0.00 -1.01 0.00 0.00 64.21 60.45 1uil n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uil s SER 6 N -0.95 -0.12 0.07 6.43 0.15 -1.26 -5.18 113.70 112.84 1uil s SER 6 Ca 0.00 0.02 0.05 0.00 0.70 0.00 0.00 55.95 56.72 1uil s SER 6 Cb 0.00 0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.40 1uil s SER 6 CO 0.00 -0.19 -0.13 -0.83 1.20 0.00 0.00 173.24 173.29 1uil s GLY 7 N -1.99 0.82 0.00 9.45 0.00 -1.26 -5.02 107.32 109.33 1uil s GLY 7 Ca 0.09 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 43.83 1uil s GLY 7 CO -0.04 -1.03 0.86 1.47 0.00 0.00 0.00 173.10 174.35 1uil n LEU 8 N 1.21 -0.51 -3.97 0.66 -0.00 -1.26 -5.03 117.00 108.10 1uil n LEU 8 Ca -0.21 -1.65 -0.39 0.00 -0.00 0.00 0.00 56.01 53.76 1uil n LEU 8 Cb 0.55 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.92 1uil n LEU 8 CO 0.22 1.23 2.04 1.21 -0.00 0.00 0.00 177.39 182.08 1uil n GLU 9 N 0.03 1.90 -3.12 1.47 2.13 -1.26 -4.83 120.64 116.96 1uil n GLU 9 Ca -0.16 -2.26 -0.45 0.00 0.66 0.00 0.00 57.16 54.95 1uil n GLU 9 Cb 0.67 -3.24 -0.01 0.00 0.27 0.00 0.00 31.44 29.13 1uil n GLU 9 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1uil s SER 10 N 5.02 6.89 -0.41 4.31 1.04 -1.26 -4.82 113.70 124.48 1uil s SER 10 Ca 0.58 -2.72 0.08 0.00 0.48 0.00 0.00 55.95 54.38 1uil s SER 10 Cb 0.10 -2.31 0.27 0.00 0.10 0.00 0.00 66.02 64.18 1uil s SER 10 CO 0.09 -0.72 0.66 -0.62 0.98 0.00 0.00 173.24 173.63 1uil n GLU 11 N 4.93 0.79 -3.50 4.02 1.02 -1.26 -5.03 120.64 121.61 1uil n GLU 11 Ca 0.24 -2.94 -0.29 0.00 -0.02 0.00 0.00 57.16 54.15 1uil n GLU 11 Cb 0.45 -1.34 -0.12 0.00 -0.02 0.00 0.00 31.44 30.41 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 -1.05 0.82 0.48 3.49 2.56 -1.26 -5.13 118.70 118.61 1uil s GLU 12 Ca 0.35 -1.69 -0.08 0.00 0.00 0.00 0.00 54.97 53.55 1uil s GLU 12 Cb 0.22 -1.58 0.11 0.00 2.00 0.00 0.00 34.13 34.89 1uil s GLU 12 CO -0.12 -1.24 0.58 1.33 -0.56 0.00 0.00 175.26 175.24 1uil n VAL 13 N 3.61 0.00 -4.30 3.70 0.24 -1.26 -5.11 118.33 115.22 1uil n VAL 13 Ca 0.16 -0.38 -0.18 0.00 -2.04 0.00 0.00 64.34 61.90 1uil n VAL 13 Cb 0.39 -1.58 -0.09 0.00 -1.47 0.00 0.00 33.84 31.09 1uil n VAL 13 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1uil s ASP 14 N -3.11 1.36 0.57 -1.34 1.01 -1.26 -5.15 116.67 108.75 1uil s ASP 14 Ca 0.34 -1.60 0.00 0.00 0.71 0.00 0.00 52.55 52.00 1uil s ASP 14 Cb -0.02 0.45 0.00 0.00 1.01 0.00 0.00 42.92 44.37 1uil s ASP 14 CO 0.24 -0.94 0.00 0.18 0.21 0.00 0.00 175.17 174.86 1uil n LEU 15 N -0.55 0.00 0.00 1.23 4.77 -1.26 -4.76 117.00 116.43 1uil n LEU 15 Ca 0.03 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.08 1uil n LEU 15 Cb 0.64 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 42.05 1uil n LEU 15 CO 0.33 -1.10 0.72 -0.46 -1.33 0.00 0.00 177.39 175.55 1uil n ASN 16 N -1.70 0.00 -0.27 -1.43 0.23 -1.26 -2.97 115.26 107.86 1uil n ASN 16 Ca 0.00 0.40 0.08 0.00 -0.53 0.00 0.00 54.58 54.54 1uil n ASN 16 Cb 0.00 -0.45 0.23 0.00 -2.08 0.00 0.00 39.78 37.47 1uil n ASN 16 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1uil h ALA 17 N 2.54 1.13 -1.36 -2.53 0.00 -1.86 0.30 119.26 117.48 1uil h ALA 17 Ca 0.00 0.16 0.40 0.00 0.00 0.00 0.00 54.91 55.47 1uil h ALA 17 Cb 0.22 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1uil h ALA 17 CO 0.00 -0.32 1.20 0.41 0.00 0.00 0.00 179.25 180.53 1uil n GLY 18 N -1.35 -0.79 0.08 0.00 0.00 -1.16 0.31 105.19 102.29 1uil n GLY 18 Ca 0.17 0.48 -0.14 0.00 0.00 0.00 0.00 46.02 46.52 1uil n GLY 18 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uil h LEU 19 N 0.00 0.00 0.00 0.99 4.07 -0.68 -3.44 115.31 116.26 1uil h LEU 19 Ca 0.65 -0.54 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1uil h LEU 19 Cb 3.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 44.78 1uil h LEU 19 CO -0.01 1.11 -0.59 0.00 -1.08 0.00 0.00 178.44 177.87 1uil n HIS 20 N -4.56 0.26 0.00 1.13 1.44 0.42 -5.12 115.22 108.79 1uil n HIS 20 Ca -0.18 0.11 0.00 0.00 -2.01 0.00 0.00 57.72 55.65 1uil n HIS 20 Cb 0.48 -0.47 0.00 0.00 0.12 0.00 0.00 29.99 30.12 1uil n HIS 20 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1uil n GLY 21 N 1.54 1.63 2.99 -1.39 0.00 0.92 -4.94 105.19 105.94 1uil n GLY 21 Ca -0.08 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 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 5.11 -4.00 1.61 3.02 -1.26 -4.86 115.26 114.88 1uil n ASN 22 Ca 0.00 -3.08 -0.31 0.00 -0.03 0.00 0.00 54.58 51.16 1uil n ASN 22 Cb 0.00 -1.50 -0.14 0.00 -0.61 0.00 0.00 39.78 37.53 1uil n ASN 22 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1uil s TRP 23 N 0.67 3.45 0.22 3.10 0.23 -1.26 -4.32 118.94 121.02 1uil s TRP 23 Ca 0.40 -3.04 -0.03 0.00 -2.03 0.00 0.00 56.10 51.40 1uil s TRP 23 Cb 0.07 -2.91 -0.05 0.00 0.03 0.00 0.00 33.47 30.61 1uil s TRP 23 CO 0.00 -0.84 0.44 0.95 0.96 0.00 0.00 176.95 178.47 1uil s THR 24 N 0.26 5.13 0.27 2.01 -4.23 -1.26 -4.77 115.64 113.05 1uil s THR 24 Ca 0.14 -0.11 0.10 0.00 -1.18 0.00 0.00 61.69 60.64 1uil s THR 24 Cb -0.23 -3.70 0.31 0.00 1.34 0.00 0.00 72.50 70.22 1uil s THR 24 CO -0.04 -0.16 1.26 0.18 -0.54 0.00 0.00 174.62 175.32 1uil n LEU 25 N -0.54 0.11 0.11 4.79 4.77 -1.26 0.14 117.00 125.11 1uil n LEU 25 Ca -0.03 1.35 -0.05 0.00 -0.03 0.00 0.00 56.01 57.25 1uil n LEU 25 Cb 0.53 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1uil n LEU 25 CO 0.48 -1.44 0.33 -0.33 -1.33 0.00 0.00 177.39 175.10 1uil h GLU 26 N 0.00 -0.29 -0.77 3.23 5.08 -1.92 -2.54 114.58 117.37 1uil h GLU 26 Ca 0.59 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 59.04 1uil h GLU 26 Cb 1.43 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 30.65 1uil h GLU 26 CO -0.68 -0.20 -0.50 -0.91 -1.00 0.00 0.00 179.01 175.72 1uil h ASN 27 N -0.43 -1.82 -0.98 1.42 -0.26 -0.95 0.25 115.58 112.80 1uil h ASN 27 Ca -0.03 0.27 0.11 0.00 -0.56 0.00 0.00 56.30 56.09 1uil h ASN 27 Cb 0.23 0.80 -0.13 0.00 -1.06 0.00 0.00 38.32 38.16 1uil h ASN 27 CO 0.05 -0.23 -0.51 0.00 -1.06 0.00 0.00 177.43 175.68 1uil n ALA 28 N -3.18 -0.45 -0.00 -0.83 0.00 0.12 0.99 120.51 117.15 1uil n ALA 28 Ca 0.01 0.88 -0.01 0.00 0.00 0.00 0.00 53.44 54.32 1uil n ALA 28 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1uil n ALA 28 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1uil h LYS 29 N 0.00 -0.04 -0.31 0.00 3.64 -0.14 0.47 116.57 120.19 1uil h LYS 29 Ca 0.22 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1uil h LYS 29 Cb 0.47 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 1uil h LYS 29 CO -0.94 -0.03 -0.28 0.00 -2.27 0.00 0.00 179.45 175.93 1uil h ALA 30 N -1.30 -0.44 -0.93 5.00 0.00 0.45 -0.60 119.26 121.45 1uil h ALA 30 Ca 0.00 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1uil h ALA 30 Cb 0.06 1.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.74 1uil h ALA 30 CO -0.04 -0.59 -0.51 -2.13 0.00 0.00 0.00 179.25 175.98 1uil n ARG 31 N -4.04 -0.37 -0.34 0.00 3.00 0.28 0.75 116.66 115.94 1uil n ARG 31 Ca -0.01 1.41 -0.00 0.00 -0.00 0.00 0.00 57.85 59.25 1uil n ARG 31 Cb 0.15 -2.08 0.06 0.00 0.00 0.00 0.00 32.46 30.59 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 -1.26 -0.89 6.15 5.85 0.15 1.61 115.31 126.92 1uil h LEU 32 Ca 0.18 0.29 0.03 0.00 0.84 0.00 0.00 57.88 59.23 1uil h LEU 32 Cb 0.42 0.69 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 1uil h LEU 32 CO -0.88 -0.30 0.58 -1.13 -0.34 0.00 0.00 178.44 176.37 1uil h ASN 33 N -0.03 0.96 -0.62 1.25 -0.73 0.13 -1.53 115.58 115.01 1uil h ASN 33 Ca 0.35 -0.01 0.01 0.00 1.87 0.00 0.00 56.30 58.52 1uil h ASN 33 Cb 0.61 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.95 1uil h ASN 33 CO -0.93 0.66 0.41 1.56 -0.37 0.00 0.00 177.43 178.75 1uil h GLN 34 N 1.12 0.80 -0.21 6.67 1.08 0.49 0.29 115.11 125.35 1uil h GLN 34 Ca 0.35 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.50 1uil h GLN 34 Cb 0.00 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.24 1uil h GLN 34 CO -0.12 0.53 0.08 -0.92 -0.95 0.00 0.00 178.83 177.46 1uil h TYR 35 N 0.82 0.28 0.00 2.96 3.20 0.11 0.68 116.97 125.02 1uil h TYR 35 Ca 0.23 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 1uil h TYR 35 Cb -0.08 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 1uil h TYR 35 CO -0.03 0.23 -0.53 0.74 -1.64 0.00 0.00 178.16 176.92 1uil h PHE 36 N 0.29 0.00 0.00 -3.82 0.04 -0.41 -2.27 116.94 110.77 1uil h PHE 36 Ca 0.08 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.57 1uil h PHE 36 Cb 0.06 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.17 1uil h PHE 36 CO 0.00 0.09 -1.58 1.96 -0.60 0.00 0.00 178.31 178.18 1uil h GLN 37 N 0.00 0.00 0.01 1.51 1.08 0.90 0.26 115.11 118.88 1uil h GLN 37 Ca -0.01 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1uil h GLN 37 Cb 1.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1uil h GLN 37 CO 0.01 0.59 -0.01 0.87 -0.95 0.00 0.00 178.83 179.35 1uil h LYS 38 N 0.00 -0.02 0.00 1.46 1.79 0.23 -3.30 116.57 116.74 1uil h LYS 38 Ca -0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1uil h LYS 38 Cb 1.97 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.62 1uil h LYS 38 CO 0.09 0.54 0.00 0.93 -1.08 0.00 0.00 179.45 179.93 1uil h GLU 39 N -0.99 0.00 -0.14 3.15 4.39 -1.59 -3.46 114.58 115.94 1uil h GLU 39 Ca -0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1uil h GLU 39 Cb 0.57 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1uil h GLU 39 CO 0.00 0.00 -0.06 1.63 -1.16 0.00 0.00 179.01 179.43 1uil n LYS 40 N -2.41 -0.21 -1.85 2.33 4.76 -0.67 -5.02 118.16 115.08 1uil n LYS 40 Ca 0.03 0.60 -0.30 0.00 -2.87 0.00 0.00 58.31 55.77 1uil n LYS 40 Cb 0.34 -4.22 0.05 0.00 -1.84 0.00 0.00 35.03 29.35 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 -2.11 3.54 -0.04 -0.18 1.01 0.84 -4.94 121.20 119.32 1uil s ILE 41 Ca 0.00 0.50 0.02 0.00 0.00 0.00 0.00 60.65 61.17 1uil s ILE 41 Cb 0.00 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 39.01 1uil s ILE 41 CO 0.00 -0.65 -0.08 -1.10 0.00 0.00 0.00 174.94 173.11 1uil s GLN 42 N -5.33 1.08 -0.12 2.79 -0.21 -1.26 -4.44 119.66 112.18 1uil s GLN 42 Ca 0.58 -0.24 -0.05 0.00 0.02 0.00 0.00 55.36 55.67 1uil s GLN 42 Cb -0.11 -0.99 0.05 0.00 1.00 0.00 0.00 33.01 32.96 1uil s GLN 42 CO 0.52 0.00 0.26 0.20 -2.12 0.00 0.00 175.29 174.15 1uil s GLY 43 N 0.64 -0.15 0.25 3.09 0.00 -1.26 -5.09 107.32 104.80 1uil s GLY 43 Ca -0.10 1.02 0.07 0.00 0.00 0.00 0.00 44.72 45.71 1uil s GLY 43 CO 0.01 1.47 0.16 -1.83 0.00 0.00 0.00 173.10 172.92 1uil s GLU 44 N 1.57 2.84 -0.19 2.90 -1.05 -1.26 -5.11 118.70 118.39 1uil s GLU 44 Ca -0.07 -1.09 -0.06 0.00 -0.15 0.00 0.00 54.97 53.61 1uil s GLU 44 Cb -0.11 -2.52 -0.03 0.00 -0.44 0.00 0.00 34.13 31.04 1uil s GLU 44 CO -0.09 0.40 0.02 0.71 0.95 0.00 0.00 175.26 177.26 1uil s TYR 45 N -2.12 3.10 -0.52 4.83 1.51 -1.26 -4.66 117.35 118.23 1uil s TYR 45 Ca 0.32 -0.26 -0.18 0.00 -1.01 0.00 0.00 57.07 55.95 1uil s TYR 45 Cb -0.08 -2.08 0.08 0.00 -0.11 0.00 0.00 41.96 39.77 1uil s TYR 45 CO 0.24 -0.10 0.58 0.21 -1.11 0.00 0.00 175.55 175.37 1uil s LYS 46 N 0.77 3.06 -0.17 -0.62 2.36 -0.06 -4.91 119.74 120.19 1uil s LYS 46 Ca 0.01 -1.14 -0.19 0.00 -2.55 0.00 0.00 55.97 52.10 1uil s LYS 46 Cb -0.14 -4.15 -0.03 0.00 -1.05 0.00 0.00 37.83 32.45 1uil s LYS 46 CO 0.02 -1.25 0.54 0.71 1.55 0.00 0.00 175.35 176.92 1uil s TYR 47 N 2.34 3.43 -0.35 4.03 2.02 -1.25 -0.72 117.35 126.85 1uil s TYR 47 Ca 0.11 0.87 -0.03 0.00 -0.37 0.00 0.00 57.07 57.64 1uil s TYR 47 Cb -0.22 -2.67 0.07 0.00 -0.40 0.00 0.00 41.96 38.74 1uil s TYR 47 CO 0.09 -0.03 0.10 0.99 -1.57 0.00 0.00 175.55 175.14 1uil s THR 48 N 1.35 3.32 0.20 -0.71 2.01 0.42 -4.82 115.64 117.40 1uil s THR 48 Ca 0.26 -1.57 -0.30 0.00 0.31 0.00 0.00 61.69 60.40 1uil s THR 48 Cb -0.16 -3.03 -0.08 0.00 0.01 0.00 0.00 72.50 69.24 1uil s THR 48 CO 0.11 -0.34 1.08 -1.58 -0.69 0.00 0.00 174.62 173.19 1uil s GLN 49 N 1.25 4.63 0.30 4.92 0.74 -1.26 0.12 119.66 130.36 1uil s GLN 49 Ca 0.01 1.71 -0.13 0.00 0.05 0.00 0.00 55.36 56.99 1uil s GLN 49 Cb -0.21 -3.26 0.01 0.00 1.10 0.00 0.00 33.01 30.65 1uil s GLN 49 CO -0.01 0.14 0.60 0.14 -0.55 0.00 0.00 175.29 175.61 1uil s VAL 50 N -0.48 0.00 0.00 1.34 -7.23 -0.43 -4.94 120.40 108.66 1uil s VAL 50 Ca 0.48 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 59.38 1uil s VAL 50 Cb -0.29 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.27 1uil s VAL 50 CO 0.36 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.76 1uil n GLY 51 N -0.46 -1.34 3.78 2.32 0.00 -1.26 0.28 105.19 108.50 1uil n GLY 51 Ca -0.03 -1.57 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.36 4.23 0.25 1.61 0.04 -1.12 -4.70 135.00 133.95 1uil s PRO 52 Ca 0.00 1.56 -0.09 0.00 0.04 0.00 0.00 61.00 62.51 1uil s PRO 52 Cb 0.00 -2.63 0.40 0.00 0.04 0.00 0.00 34.50 32.30 1uil s PRO 52 CO 0.00 -0.10 1.60 0.22 0.04 0.00 0.00 177.00 178.77 1uil h ASP 53 N 2.68 -0.62 -1.12 6.66 3.58 -1.98 1.76 116.42 127.38 1uil h ASP 53 Ca -0.48 0.23 0.31 0.00 0.42 0.00 0.00 57.03 57.51 1uil h ASP 53 Cb 1.22 0.45 -0.08 0.00 1.72 0.00 0.00 39.33 42.64 1uil h ASP 53 CO 0.63 -0.25 0.76 1.12 -2.88 0.00 0.00 179.24 178.62 1uil h HIS 54 N 0.03 0.39 -1.98 0.28 2.07 -2.00 -3.20 115.15 110.73 1uil h HIS 54 Ca 0.41 0.01 -0.41 0.00 -2.85 0.00 0.00 60.37 57.53 1uil h HIS 54 Cb 0.67 -0.11 -0.31 0.00 2.57 0.00 0.00 27.41 30.23 1uil h HIS 54 CO -0.56 0.01 -0.74 -0.80 -3.07 0.00 0.00 177.93 172.77 1uil s ASN 55 N -5.16 1.06 0.05 3.10 -0.87 0.58 -5.13 114.94 108.58 1uil s ASN 55 Ca -0.07 -1.99 -0.07 0.00 -1.57 0.00 0.00 52.86 49.16 1uil s ASN 55 Cb 0.25 0.42 -0.05 0.00 -0.02 0.00 0.00 41.25 41.84 1uil s ASN 55 CO 0.80 -0.22 0.32 -0.13 -2.57 0.00 0.00 177.10 175.30 1uil s ARG 56 N 1.02 3.62 -0.20 -0.60 1.81 -0.29 -2.81 118.95 121.51 1uil s ARG 56 Ca 0.22 -0.04 0.00 0.00 -1.72 0.00 0.00 55.73 54.19 1uil s ARG 56 Cb -0.10 -3.02 0.05 0.00 -0.45 0.00 0.00 34.95 31.43 1uil s ARG 56 CO -0.06 0.59 -0.05 -1.54 -0.68 0.00 0.00 175.30 173.56 1uil s SER 57 N -1.89 3.34 -0.60 0.23 1.04 0.14 -4.91 113.70 111.06 1uil s SER 57 Ca 0.32 -0.92 -0.21 0.00 0.48 0.00 0.00 55.95 55.62 1uil s SER 57 Cb -0.13 -1.05 0.07 0.00 0.10 0.00 0.00 66.02 65.01 1uil s SER 57 CO 0.19 -0.21 0.82 -0.36 0.98 0.00 0.00 173.24 174.66 1uil s PHE 58 N 1.52 2.86 -0.30 5.02 0.40 -1.24 -1.31 117.98 124.92 1uil s PHE 58 Ca -0.02 -0.60 -0.29 0.00 -0.60 0.00 0.00 56.93 55.42 1uil s PHE 58 Cb -0.17 -4.04 -0.01 0.00 0.51 0.00 0.00 43.02 39.31 1uil s PHE 58 CO -0.07 -1.39 1.57 0.42 0.70 0.00 0.00 175.22 176.45 1uil s ILE 59 N 3.37 3.75 -0.41 0.64 1.01 0.32 -3.83 121.20 126.05 1uil s ILE 59 Ca 0.19 0.82 -0.17 0.00 0.00 0.00 0.00 60.65 61.49 1uil s ILE 59 Cb -0.19 -3.86 0.02 0.00 0.01 0.00 0.00 42.46 38.43 1uil s ILE 59 CO 0.11 -0.44 0.41 0.00 0.00 0.00 0.00 174.94 175.01 1uil s ALA 60 N 5.50 3.44 -0.05 9.38 0.00 -0.54 0.16 121.76 139.65 1uil s ALA 60 Ca 0.69 -1.47 0.05 0.00 0.00 0.00 0.00 51.96 51.22 1uil s ALA 60 Cb -0.21 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 1uil s ALA 60 CO 0.30 -1.48 -0.18 -1.83 0.00 0.00 0.00 175.76 172.57 1uil s GLU 61 N 2.08 2.48 -0.01 0.00 -1.05 0.10 -2.06 118.70 120.23 1uil s GLU 61 Ca 0.11 -0.76 -0.02 0.00 -0.15 0.00 0.00 54.97 54.15 1uil s GLU 61 Cb -0.17 -2.30 0.00 0.00 -0.44 0.00 0.00 34.13 31.22 1uil s GLU 61 CO 0.13 0.56 0.06 1.41 0.95 0.00 0.00 175.26 178.37 1uil s MET 62 N -0.58 0.15 -0.05 -4.83 1.75 -0.50 -0.88 119.30 114.36 1uil s MET 62 Ca 0.08 -0.07 0.02 0.00 -1.25 0.00 0.00 55.69 54.48 1uil s MET 62 Cb -0.11 0.06 0.01 0.00 2.84 0.00 0.00 34.83 37.63 1uil s MET 62 CO 0.01 -0.03 -0.11 0.99 -0.65 0.00 0.00 175.02 175.23 1uil s THR 63 N -0.34 1.01 0.10 10.11 2.01 -1.26 0.81 115.64 128.08 1uil s THR 63 Ca -0.04 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 61.57 1uil s THR 63 Cb -0.03 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 1uil s THR 63 CO 0.00 0.32 -0.11 0.27 -0.69 0.00 0.00 174.62 174.41 1uil s ILE 64 N 0.54 1.02 -0.06 1.82 -4.36 -0.18 -4.92 121.20 115.07 1uil s ILE 64 Ca -0.11 -1.60 0.06 0.00 -0.26 0.00 0.00 60.65 58.74 1uil s ILE 64 Cb -0.14 -1.33 -0.01 0.00 1.25 0.00 0.00 42.46 42.23 1uil s ILE 64 CO 0.02 -0.49 -0.24 -0.47 0.24 0.00 0.00 174.94 174.01 1uil s TYR 65 N -2.22 2.33 -0.29 1.37 6.14 -1.26 -0.22 117.35 123.19 1uil s TYR 65 Ca 0.05 -0.70 -0.05 0.00 0.64 0.00 0.00 57.07 57.00 1uil s TYR 65 Cb -0.04 -1.53 0.02 0.00 0.42 0.00 0.00 41.96 40.83 1uil s TYR 65 CO 0.01 -0.22 0.05 0.42 0.64 0.00 0.00 175.55 176.45 1uil s ILE 66 N -0.11 3.60 0.24 3.14 -1.09 0.26 -4.95 121.20 122.28 1uil s ILE 66 Ca -0.04 -0.92 0.02 0.00 -2.23 0.00 0.00 60.65 57.48 1uil s ILE 66 Cb -0.14 -2.91 -0.01 0.00 -1.58 0.00 0.00 42.46 37.83 1uil s ILE 66 CO 0.04 0.04 1.59 0.07 -1.23 0.00 0.00 174.94 175.45 1uil h LYS 67 N 8.16 0.40 -0.66 2.79 -0.00 -1.93 0.89 116.57 126.21 1uil h LYS 67 Ca -0.29 -0.23 0.16 0.00 -0.00 0.00 0.00 60.65 60.29 1uil h LYS 67 Cb 1.11 0.01 -0.04 0.00 -0.00 0.00 0.00 32.23 33.32 1uil h LYS 67 CO 0.59 0.80 0.46 0.37 -0.00 0.00 0.00 179.45 181.67 1uil h GLN 68 N 0.32 0.21 0.00 0.07 4.15 -1.93 -1.99 115.11 115.94 1uil h GLN 68 Ca 0.02 -0.01 -0.34 0.00 0.77 0.00 0.00 58.65 59.09 1uil h GLN 68 Cb 0.97 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.55 1uil h GLN 68 CO 0.08 0.14 -2.27 1.28 -1.93 0.00 0.00 178.83 176.13 1uil n LEU 69 N -4.42 0.88 0.00 -2.39 4.77 -1.03 -5.00 117.00 109.80 1uil n LEU 69 Ca 0.12 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1uil n LEU 69 Cb 0.58 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1uil n LEU 69 CO 0.35 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1uil n GLY 70 N 2.03 0.79 1.68 -0.72 0.00 0.30 -5.05 105.19 104.21 1uil n GLY 70 Ca -0.33 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.40 0.91 -3.84 1.61 1.85 -0.80 -4.96 116.66 109.02 1uil n ARG 71 Ca 0.00 -1.72 -0.12 0.00 -1.00 0.00 0.00 57.85 55.01 1uil n ARG 71 Cb 0.00 0.82 -0.10 0.00 -1.05 0.00 0.00 32.46 32.13 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 -2.79 0.47 0.08 2.89 1.04 -1.26 0.89 118.95 120.26 1uil s ARG 72 Ca 0.08 -0.25 0.07 0.00 -1.04 0.00 0.00 55.73 54.59 1uil s ARG 72 Cb 0.00 0.20 -0.04 0.00 -2.04 0.00 0.00 34.95 33.08 1uil s ARG 72 CO 0.06 -0.11 -0.16 0.96 -0.04 0.00 0.00 175.30 176.01 1uil s ILE 73 N -1.11 2.98 0.11 4.99 -4.36 0.69 -4.96 121.20 119.54 1uil s ILE 73 Ca -0.12 -1.28 0.09 0.00 -0.26 0.00 0.00 60.65 59.08 1uil s ILE 73 Cb -0.06 -2.33 -0.04 0.00 1.25 0.00 0.00 42.46 41.29 1uil s ILE 73 CO 0.02 0.22 -0.23 0.12 0.24 0.00 0.00 174.94 175.30 1uil s PHE 74 N -1.06 1.97 0.11 1.37 2.19 -1.26 -1.01 117.98 120.29 1uil s PHE 74 Ca 0.17 -0.40 0.04 0.00 0.33 0.00 0.00 56.93 57.06 1uil s PHE 74 Cb -0.11 -1.08 -0.04 0.00 -1.31 0.00 0.00 43.02 40.49 1uil s PHE 74 CO 0.09 0.25 -0.10 0.00 1.83 0.00 0.00 175.22 177.29 1uil s ALA 75 N -1.13 1.19 -0.39 11.12 0.00 0.24 -4.88 121.76 127.92 1uil s ALA 75 Ca 0.09 -1.29 -0.02 0.00 0.00 0.00 0.00 51.96 50.74 1uil s ALA 75 Cb -0.10 0.05 0.20 0.00 0.00 0.00 0.00 23.12 23.26 1uil s ALA 75 CO 0.05 -0.08 0.93 0.50 0.00 0.00 0.00 175.76 177.16 1uil s ARG 76 N -3.17 0.49 0.58 0.00 3.52 -1.26 -1.42 118.95 117.70 1uil s ARG 76 Ca 0.09 -0.35 0.08 0.00 -0.13 0.00 0.00 55.73 55.42 1uil s ARG 76 Cb -0.00 0.01 0.08 0.00 -1.56 0.00 0.00 34.95 33.48 1uil s ARG 76 CO -0.00 -0.64 0.68 -1.21 -0.81 0.00 0.00 175.30 173.31 1uil s GLU 77 N 1.39 2.23 -0.33 5.12 0.41 -0.88 -4.93 118.70 121.72 1uil s GLU 77 Ca 0.21 -1.84 -0.02 0.00 -0.41 0.00 0.00 54.97 52.91 1uil s GLU 77 Cb 0.04 -2.43 0.12 0.00 -1.78 0.00 0.00 34.13 30.08 1uil s GLU 77 CO -0.10 -0.85 0.16 -3.38 -0.49 0.00 0.00 175.26 170.59 1uil s HIS 78 N -2.75 0.90 0.65 1.61 -3.43 -1.26 -1.46 115.29 109.55 1uil s HIS 78 Ca 0.52 -1.44 0.06 0.00 -0.80 0.00 0.00 55.06 53.40 1uil s HIS 78 Cb -0.04 -1.18 0.11 0.00 -1.43 0.00 0.00 32.58 30.04 1uil s HIS 78 CO 0.33 -0.84 0.89 0.20 -2.00 0.00 0.00 174.74 173.33 1uil s GLY 79 N 1.52 1.73 -0.01 -1.38 0.00 -1.25 -4.91 107.32 103.01 1uil s GLY 79 Ca 0.13 -2.04 -0.22 0.00 0.00 0.00 0.00 44.72 42.58 1uil s GLY 79 CO -0.20 -1.51 1.00 1.76 0.00 0.00 0.00 173.10 174.16 1uil h SER 80 N -0.16 -0.45 -2.73 1.64 0.02 -1.91 -3.30 113.55 106.67 1uil h SER 80 Ca -0.31 -0.12 -0.53 0.00 -0.84 0.00 0.00 61.79 59.99 1uil h SER 80 Cb 1.28 0.12 -0.14 0.00 0.14 0.00 0.00 62.40 63.80 1uil h SER 80 CO 0.39 -0.03 -0.60 0.54 -1.14 0.00 0.00 176.83 176.00 1uil s ASN 81 N -4.98 2.85 0.20 3.07 2.20 -1.26 -4.38 114.94 112.64 1uil s ASN 81 Ca -0.12 -1.40 -0.22 0.00 -0.94 0.00 0.00 52.86 50.17 1uil s ASN 81 Cb 0.01 -0.11 0.12 0.00 -2.00 0.00 0.00 41.25 39.27 1uil s ASN 81 CO 0.43 -0.59 1.55 0.11 -2.94 0.00 0.00 177.10 175.67 1uil h LYS 82 N 1.98 -0.05 0.00 3.55 1.57 -1.90 -0.16 116.57 121.56 1uil h LYS 82 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1uil h LYS 82 Cb 1.25 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1uil h LYS 82 CO 0.72 -0.03 0.00 1.17 -0.57 0.00 0.00 179.45 180.74 1uil n LYS 83 N -5.40 0.00 0.00 3.15 3.00 -1.26 0.80 118.16 118.45 1uil n LYS 83 Ca 0.06 0.81 0.00 0.00 -0.00 0.00 0.00 58.31 59.18 1uil n LYS 83 Cb 0.35 -1.38 0.00 0.00 0.00 0.00 0.00 35.03 34.00 1uil n LYS 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1uil n LEU 84 N -2.39 0.00 -0.17 3.14 7.99 -0.53 -0.05 117.00 124.99 1uil n LEU 84 Ca 0.00 0.82 -0.05 0.00 -0.01 0.00 0.00 56.01 56.77 1uil n LEU 84 Cb 0.00 -0.32 -0.04 0.00 -0.11 0.00 0.00 43.42 42.95 1uil n LEU 84 CO 0.00 -0.32 0.35 0.00 -1.51 0.00 0.00 177.39 175.92 1uil n ALA 85 N -2.27 -0.26 -0.35 -1.18 0.00 -0.19 0.15 120.51 116.40 1uil n ALA 85 Ca 0.00 0.35 -0.03 0.00 0.00 0.00 0.00 53.44 53.76 1uil n ALA 85 Cb 0.00 0.10 0.02 0.00 0.00 0.00 0.00 19.45 19.57 1uil n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uil h ALA 86 N -0.10 0.05 -0.17 0.00 0.00 0.17 0.45 119.26 119.66 1uil h ALA 86 Ca 0.07 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1uil h ALA 86 Cb 0.17 1.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1uil h ALA 86 CO -0.39 -0.67 0.00 1.04 0.00 0.00 0.00 179.25 179.23 1uil n GLN 87 N -5.45 0.00 -0.33 0.00 6.02 0.39 -0.22 117.38 117.79 1uil n GLN 87 Ca 0.08 0.71 0.16 0.00 -0.01 0.00 0.00 57.00 57.95 1uil n GLN 87 Cb 0.38 -1.47 0.33 0.00 1.02 0.00 0.00 30.24 30.50 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 -0.30 0.44 1.08 0.02 0.03 0.47 113.55 115.30 1uil h SER 88 Ca 0.00 0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1uil h SER 88 Cb 0.00 0.42 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 1uil h SER 88 CO 0.00 -0.33 -0.52 0.00 -1.14 0.00 0.00 176.83 174.84 1uil h ALA 90 N -0.84 -0.33 -0.94 0.00 0.00 0.32 0.97 119.26 118.43 1uil h ALA 90 Ca -0.05 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1uil h ALA 90 Cb 0.87 1.09 -0.13 0.00 0.00 0.00 0.00 17.79 19.62 1uil h ALA 90 CO -0.10 -0.50 -0.48 1.28 0.00 0.00 0.00 179.25 179.44 1uil n LEU 91 N -4.00 -0.85 -0.34 0.00 4.77 -0.59 0.88 117.00 116.87 1uil n LEU 91 Ca 0.00 1.66 -0.00 0.00 -0.03 0.00 0.00 56.01 57.64 1uil n LEU 91 Cb 0.13 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 40.99 1uil n LEU 91 CO -0.05 -1.40 0.53 -0.24 -1.33 0.00 0.00 177.39 174.90 1uil n SER 92 N -5.25 -0.55 0.00 -1.43 2.88 0.28 0.11 113.62 109.65 1uil n SER 92 Ca 0.05 1.56 -0.13 0.00 -1.33 0.00 0.00 58.87 59.02 1uil n SER 92 Cb 0.29 -0.37 -0.10 0.00 -0.75 0.00 0.00 64.21 63.29 1uil n SER 92 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1uil h LEU 93 N 0.00 -0.03 0.00 2.46 -0.00 0.95 -2.46 115.31 116.23 1uil h LEU 93 Ca 0.32 -0.44 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1uil h LEU 93 Cb 0.55 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 1uil h LEU 93 CO -0.89 0.43 0.00 0.52 -0.00 0.00 0.00 178.44 178.49 1uil n VAL 94 N -4.89 0.00 -0.34 1.22 0.31 0.25 0.12 118.33 115.00 1uil n VAL 94 Ca -0.08 1.22 -0.05 0.00 -0.01 0.00 0.00 64.34 65.42 1uil n VAL 94 Cb 0.24 -1.92 -0.02 0.00 -0.91 0.00 0.00 33.84 31.23 1uil n VAL 94 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1uil n ARG 95 N -1.60 -0.28 -0.14 5.55 3.00 0.29 0.12 116.66 123.61 1uil n ARG 95 Ca 0.00 1.31 -0.04 0.00 -0.01 0.00 0.00 57.85 59.11 1uil n ARG 95 Cb 0.00 -1.94 0.02 0.00 0.00 0.00 0.00 32.46 30.55 1uil n ARG 95 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1uil h GLN 96 N 0.00 -0.01 -0.33 5.56 4.20 -0.96 0.30 115.11 123.87 1uil h GLN 96 Ca 0.23 0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.01 1uil h GLN 96 Cb 0.44 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.15 1uil h GLN 96 CO -0.83 -0.01 -0.25 -0.07 -0.67 0.00 0.00 178.83 177.00 1uil h LEU 97 N -0.01 -0.82 0.17 1.46 3.38 0.86 0.39 115.31 120.74 1uil h LEU 97 Ca 0.21 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1uil h LEU 97 Cb 0.33 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1uil h LEU 97 CO -0.46 -0.28 -0.17 0.22 0.09 0.00 0.00 178.44 177.85 1uil h TYR 98 N -0.22 -0.43 -0.27 1.13 3.20 0.31 0.57 116.97 121.26 1uil h TYR 98 Ca 0.16 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.10 1uil h TYR 98 Cb 0.47 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.84 1uil h TYR 98 CO -0.44 -0.25 -0.30 1.12 -1.64 0.00 0.00 178.16 176.65 1uil h HIS 99 N -0.36 -0.81 -0.28 -3.82 2.07 0.35 -0.94 115.15 111.35 1uil h HIS 99 Ca 0.00 0.05 0.02 0.00 -2.85 0.00 0.00 60.37 57.59 1uil h HIS 99 Cb 0.34 0.40 -0.03 0.00 2.57 0.00 0.00 27.41 30.69 1uil h HIS 99 CO -0.14 -0.37 0.12 -0.07 -3.07 0.00 0.00 177.93 174.41 1uil h LEU 100 N -0.29 0.16 0.00 6.12 3.38 0.01 -3.47 115.31 121.22 1uil h LEU 100 Ca 0.14 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1uil h LEU 100 Cb 0.51 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1uil h LEU 100 CO -0.44 0.13 0.00 0.61 0.09 0.00 0.00 178.44 178.83 1uil n GLY 101 N -1.19 0.48 1.04 0.83 0.00 0.17 -5.08 105.19 101.43 1uil n GLY 101 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.09 -2.62 1.61 0.31 0.73 -4.98 118.33 113.47 1uil n VAL 102 Ca 0.00 0.03 -0.05 0.00 -0.01 0.00 0.00 64.34 64.31 1uil n VAL 102 Cb 0.00 -1.47 0.02 0.00 -0.91 0.00 0.00 33.84 31.48 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 -3.02 0.00 -3.83 2.52 -5.35 -1.25 -4.95 119.36 103.48 1uil n ILE 103 Ca 0.00 -0.44 -0.12 0.00 -0.27 0.00 0.00 62.75 61.92 1uil n ILE 103 Cb 0.44 -1.10 -0.11 0.00 -1.74 0.00 0.00 39.64 37.14 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 -2.90 0.40 0.45 6.28 -1.05 -1.26 -4.67 118.70 115.96 1uil s GLU 104 Ca 0.16 -0.08 -0.19 0.00 -0.15 0.00 0.00 54.97 54.71 1uil s GLU 104 Cb -0.01 0.18 -0.15 0.00 -0.44 0.00 0.00 34.13 33.71 1uil s GLU 104 CO 0.11 -0.09 -0.04 0.00 0.95 0.00 0.00 175.26 176.19 1uil n ALA 105 N 2.08 -3.01 -2.44 -0.84 0.00 -1.26 -4.93 120.51 110.10 1uil n ALA 105 Ca -0.18 0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.03 1uil n ALA 105 Cb 0.57 -1.41 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.84 3.45 -0.19 0.00 5.04 -1.26 -4.88 117.35 117.66 1uil s TYR 106 Ca 0.57 0.48 0.14 0.00 -2.44 0.00 0.00 57.07 55.81 1uil s TYR 106 Cb -0.55 -2.15 0.43 0.00 0.35 0.00 0.00 41.96 40.05 1uil s TYR 106 CO 0.64 -0.15 1.20 0.45 -1.34 0.00 0.00 175.55 176.35 1uil n SER 107 N -2.03 2.18 -0.08 4.32 2.88 -1.26 -4.18 113.62 115.44 1uil n SER 107 Ca -0.01 -3.42 -0.07 0.00 -1.33 0.00 0.00 58.87 54.03 1uil n SER 107 Cb 0.56 -0.45 -0.01 0.00 -0.75 0.00 0.00 64.21 63.56 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 1.32 -0.84 0.00 -3.46 0.87 -1.95 -3.47 113.55 106.01 1uil h SER 108 Ca 0.02 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1uil h SER 108 Cb 1.28 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 63.64 1uil h SER 108 CO 0.17 -0.28 0.00 0.61 -0.53 0.00 0.00 176.83 176.80 1uil n GLY 109 N -1.39 4.62 3.78 5.77 0.00 -1.26 -5.15 105.19 111.56 1uil n GLY 109 Ca 0.00 -0.72 -0.29 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 -3.85 0.91 0.42 1.61 0.04 -1.26 -5.00 135.00 127.86 1uil s PRO 110 Ca 0.00 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1uil s PRO 110 Cb 0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1uil s PRO 110 CO 0.00 -2.34 0.00 0.43 0.04 0.00 0.00 177.00 175.13 1uil n SER 111 N -3.84 -3.01 -2.34 6.66 7.64 -1.26 -5.14 113.62 112.32 1uil n SER 111 Ca 0.08 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.74 1uil n SER 111 Cb 0.59 2.87 0.00 0.00 -1.01 0.00 0.00 64.21 66.66 1uil n SER 111 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uil n SER 112 N -3.45 -8.94 0.00 6.43 7.64 -1.26 -5.38 113.62 108.66 1uil n SER 112 Ca 0.00 1.83 0.00 0.00 1.01 0.00 0.00 58.87 61.71 1uil n SER 112 Cb 0.00 -4.98 0.00 0.00 -1.01 0.00 0.00 64.21 58.22 1uil n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64