#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uil n SER 2 N 0.00 -8.50 -3.64 1.61 7.64 -1.26 -5.09 113.62 104.37 1uil n SER 2 Ca 0.00 1.23 -0.02 0.00 1.01 0.00 0.00 58.87 61.09 1uil n SER 2 Cb 0.00 -4.59 -0.04 0.00 -1.01 0.00 0.00 64.21 58.57 1uil n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uil s SER 3 N -1.11 -0.04 0.00 6.43 0.15 -1.26 -5.17 113.70 112.70 1uil s SER 3 Ca 0.00 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1uil s SER 3 Cb 0.00 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1uil s SER 3 CO 0.00 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.01 1uil n GLY 4 N 0.50 3.67 3.51 9.45 0.00 -1.26 -5.19 105.19 115.87 1uil n GLY 4 Ca 0.00 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.58 1.21 1.61 0.15 -1.26 -5.17 113.70 109.66 1uil s SER 5 Ca 0.00 0.50 -0.13 0.00 0.70 0.00 0.00 55.95 57.02 1uil s SER 5 Cb 0.00 0.50 0.30 0.00 -1.71 0.00 0.00 66.02 65.11 1uil s SER 5 CO 0.00 -0.62 1.01 -0.44 1.20 0.00 0.00 173.24 174.39 1uil s SER 6 N -1.51 0.62 0.00 5.45 0.01 -1.26 -4.10 113.70 112.91 1uil s SER 6 Ca -0.06 1.46 0.00 0.00 1.31 0.00 0.00 55.95 58.65 1uil s SER 6 Cb -0.00 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1uil s SER 6 CO 0.04 -4.42 0.00 0.61 0.41 0.00 0.00 173.24 169.88 1uil n GLY 7 N 0.96 2.20 2.02 3.44 0.00 -1.26 -4.91 105.19 107.64 1uil n GLY 7 Ca 0.03 -0.65 -0.03 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.22 -2.75 0.99 4.77 -1.26 -5.04 117.00 109.49 1uil n LEU 8 Ca 0.00 1.27 -0.09 0.00 -0.03 0.00 0.00 56.01 57.16 1uil n LEU 8 Cb 0.00 -2.21 0.09 0.00 -2.33 0.00 0.00 43.42 38.97 1uil n LEU 8 CO 0.00 -2.06 0.32 -1.84 -1.33 0.00 0.00 177.39 172.49 1uil n GLU 9 N 0.91 1.10 -1.60 3.23 0.28 -1.26 -5.06 120.64 118.24 1uil n GLU 9 Ca -0.19 -2.12 -0.14 0.00 -0.16 0.00 0.00 57.16 54.54 1uil n GLU 9 Cb 0.30 -0.71 -0.09 0.00 1.43 0.00 0.00 31.44 32.38 1uil n GLU 9 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1uil s SER 10 N -1.49 3.69 -0.37 -1.84 0.01 -1.26 -4.64 113.70 107.80 1uil s SER 10 Ca 0.24 -0.45 0.12 0.00 1.31 0.00 0.00 55.95 57.17 1uil s SER 10 Cb 0.35 -2.57 0.35 0.00 0.21 0.00 0.00 66.02 64.36 1uil s SER 10 CO -0.06 -4.28 0.73 -0.62 0.41 0.00 0.00 173.24 169.42 1uil n GLU 11 N 8.52 0.99 -1.29 12.44 -0.58 -1.26 -4.93 120.64 134.53 1uil n GLU 11 Ca 0.44 -3.39 -0.30 0.00 -0.42 0.00 0.00 57.16 53.48 1uil n GLU 11 Cb 0.45 -1.71 0.06 0.00 -0.57 0.00 0.00 31.44 29.67 1uil n GLU 11 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1uil n GLU 12 N 0.28 2.46 -1.04 3.49 1.02 -1.26 -4.94 120.64 120.65 1uil n GLU 12 Ca 0.25 -2.83 -0.05 0.00 -0.02 0.00 0.00 57.16 54.51 1uil n GLU 12 Cb 0.66 -2.11 0.03 0.00 -0.02 0.00 0.00 31.44 30.00 1uil n GLU 12 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1uil n VAL 13 N -0.47 0.00 0.00 2.62 0.24 -1.26 -4.99 118.33 114.47 1uil n VAL 13 Ca 0.53 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 1uil n VAL 13 Cb 0.59 -1.30 0.00 0.00 -1.47 0.00 0.00 33.84 31.66 1uil n VAL 13 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1uil n ASP 14 N -2.99 0.00 -0.12 -1.34 2.03 -1.26 -5.09 116.55 107.78 1uil n ASP 14 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1uil n ASP 14 Cb 0.14 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 1uil n ASP 14 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1uil n LEU 15 N 0.00 0.00 0.20 -2.67 4.77 -1.26 -3.05 117.00 114.99 1uil n LEU 15 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1uil n LEU 15 Cb 0.00 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 41.76 1uil n LEU 15 CO 0.00 -0.30 0.90 -0.55 -1.33 0.00 0.00 177.39 176.10 1uil h ASN 16 N 0.00 0.00 -0.63 -1.43 7.08 -2.01 -3.01 115.58 115.57 1uil h ASN 16 Ca 0.00 0.00 0.06 0.00 -3.08 0.00 0.00 56.30 53.28 1uil h ASN 16 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 38.32 36.16 1uil h ASN 16 CO 0.00 0.00 -0.37 0.00 -2.08 0.00 0.00 177.43 174.98 1uil n ALA 17 N -1.80 -0.40 -0.39 4.14 0.00 -1.17 -0.03 120.51 120.86 1uil n ALA 17 Ca -0.02 0.54 -0.08 0.00 0.00 0.00 0.00 53.44 53.88 1uil n ALA 17 Cb 0.10 0.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 1uil n ALA 17 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1uil h GLY 18 N 0.00 -0.57 -0.26 0.00 0.00 -1.72 0.49 103.07 101.01 1uil h GLY 18 Ca 0.10 0.71 0.07 0.00 0.00 0.00 0.00 47.33 48.21 1uil h GLY 18 CO -0.59 -0.04 -0.40 1.41 0.00 0.00 0.00 176.54 176.92 1uil h LEU 19 N -0.03 -1.33 0.19 3.11 4.07 -0.67 -2.04 115.31 118.62 1uil h LEU 19 Ca 0.21 0.21 0.00 0.00 0.08 0.00 0.00 57.88 58.38 1uil h LEU 19 Cb 0.48 0.59 -0.03 0.00 1.08 0.00 0.00 40.66 42.78 1uil h LEU 19 CO -0.93 -0.36 -0.40 0.45 -1.08 0.00 0.00 178.44 176.13 1uil h HIS 20 N -0.31 -1.14 -3.36 1.13 3.86 0.10 -3.49 115.15 111.95 1uil h HIS 20 Ca 0.15 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1uil h HIS 20 Cb 0.57 0.47 0.00 0.00 1.06 0.00 0.00 27.41 29.52 1uil h HIS 20 CO -0.60 -0.47 -0.51 0.41 0.86 0.00 0.00 177.93 177.61 1uil n GLY 21 N -1.39 -4.42 2.54 2.45 0.00 0.14 -4.72 105.19 99.78 1uil n GLY 21 Ca -0.07 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 1uil n GLY 21 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1uil n ASN 22 N 0.96 6.33 -4.04 1.61 2.85 -1.12 -4.74 115.26 117.12 1uil n ASN 22 Ca 0.00 -2.58 -0.34 0.00 -0.11 0.00 0.00 54.58 51.55 1uil n ASN 22 Cb 0.00 -1.44 -0.11 0.00 1.24 0.00 0.00 39.78 39.47 1uil n ASN 22 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 1uil s TRP 23 N 2.91 3.42 0.20 1.20 0.23 -1.26 -4.59 118.94 121.05 1uil s TRP 23 Ca 0.57 -2.95 -0.07 0.00 -2.03 0.00 0.00 56.10 51.62 1uil s TRP 23 Cb 0.15 -3.06 -0.06 0.00 0.03 0.00 0.00 33.47 30.53 1uil s TRP 23 CO -0.04 -0.77 0.47 0.95 0.96 0.00 0.00 176.95 178.52 1uil s THR 24 N -0.46 5.04 0.23 2.01 -4.23 -1.26 -4.72 115.64 112.25 1uil s THR 24 Ca 0.19 0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 60.89 1uil s THR 24 Cb -0.18 -3.63 0.36 0.00 1.34 0.00 0.00 72.50 70.39 1uil s THR 24 CO -0.05 -0.05 1.24 0.18 -0.54 0.00 0.00 174.62 175.41 1uil n LEU 25 N -0.12 -0.25 0.10 4.79 4.77 -1.26 0.19 117.00 125.22 1uil n LEU 25 Ca -0.01 1.37 -0.13 0.00 -0.03 0.00 0.00 56.01 57.21 1uil n LEU 25 Cb 0.52 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 1uil n LEU 25 CO 0.47 -1.32 0.80 -0.33 -1.33 0.00 0.00 177.39 175.67 1uil h GLU 26 N 0.00 -0.23 0.05 3.23 4.39 -1.93 -0.39 114.58 119.70 1uil h GLU 26 Ca 0.40 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.11 1uil h GLU 26 Cb 0.65 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1uil h GLU 26 CO -0.81 -0.15 -0.03 -0.91 -1.16 0.00 0.00 179.01 175.95 1uil h ASN 27 N -0.24 -0.07 -0.83 1.42 -0.26 0.17 0.41 115.58 116.18 1uil h ASN 27 Ca -0.00 0.00 0.33 0.00 -0.56 0.00 0.00 56.30 56.07 1uil h ASN 27 Cb 0.22 0.02 -0.15 0.00 -1.06 0.00 0.00 38.32 37.35 1uil h ASN 27 CO -0.02 -0.04 0.38 0.00 -1.06 0.00 0.00 177.43 176.69 1uil n ALA 28 N -2.11 0.79 0.10 -0.83 0.00 0.17 0.13 120.51 118.75 1uil n ALA 28 Ca -0.01 0.85 -0.04 0.00 0.00 0.00 0.00 53.44 54.25 1uil n ALA 28 Cb 0.03 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.24 0.11 0.00 3.64 -0.57 -0.55 116.57 118.96 1uil h LYS 29 Ca 0.67 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 60.09 1uil h LYS 29 Cb 1.74 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 33.57 1uil h LYS 29 CO -0.66 -0.16 -0.49 0.00 -2.27 0.00 0.00 179.45 175.87 1uil h ALA 30 N -1.87 -0.90 -0.96 5.00 0.00 0.19 -1.77 119.26 118.96 1uil h ALA 30 Ca -0.03 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 54.94 1uil h ALA 30 Cb 0.19 0.84 -0.15 0.00 0.00 0.00 0.00 17.79 18.67 1uil h ALA 30 CO 0.04 -1.08 -0.38 -2.13 0.00 0.00 0.00 179.25 175.70 1uil n ARG 31 N -5.48 -0.23 -0.09 0.00 3.00 0.35 0.18 116.66 114.39 1uil n ARG 31 Ca -0.08 1.47 -0.13 0.00 -0.00 0.00 0.00 57.85 59.11 1uil n ARG 31 Cb 0.40 -2.18 -0.08 0.00 0.00 0.00 0.00 32.46 30.60 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 -1.64 -1.15 6.15 5.85 -0.24 0.59 115.31 124.87 1uil h LEU 32 Ca 0.33 0.22 0.21 0.00 0.84 0.00 0.00 57.88 59.48 1uil h LEU 32 Cb 0.57 0.68 -0.10 0.00 0.37 0.00 0.00 40.66 42.17 1uil h LEU 32 CO -0.95 -0.42 0.62 -1.13 -0.34 0.00 0.00 178.44 176.22 1uil h ASN 33 N -0.43 0.65 -0.02 1.25 -1.24 0.28 0.94 115.58 117.01 1uil h ASN 33 Ca 0.08 0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.18 1uil h ASN 33 Cb 0.62 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.64 1uil h ASN 33 CO -0.53 0.21 0.01 1.56 -1.29 0.00 0.00 177.43 177.38 1uil h GLN 34 N 0.62 0.04 -0.52 6.67 1.08 0.26 -0.81 115.11 122.46 1uil h GLN 34 Ca 0.57 -0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.91 1uil h GLN 34 Cb 1.09 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.49 1uil h GLN 34 CO -0.34 0.21 0.37 -0.92 -0.95 0.00 0.00 178.83 177.19 1uil h TYR 35 N -0.15 0.06 0.00 2.96 3.20 0.23 0.70 116.97 123.97 1uil h TYR 35 Ca 0.01 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 1uil h TYR 35 Cb 0.19 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1uil h TYR 35 CO -0.01 0.02 -0.67 0.74 -1.64 0.00 0.00 178.16 176.60 1uil h PHE 36 N 0.05 0.00 0.17 -3.82 0.04 -0.74 -2.45 116.94 110.19 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 0.91 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.07 1uil h PHE 36 CO -0.00 0.57 -1.59 1.96 -0.60 0.00 0.00 178.31 178.65 1uil h GLN 37 N 0.00 0.35 0.50 1.51 1.08 0.10 1.31 115.11 119.97 1uil h GLN 37 Ca -0.02 -0.60 -0.02 0.00 -1.45 0.00 0.00 58.65 56.55 1uil h GLN 37 Cb 1.45 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 29.11 1uil h GLN 37 CO 0.07 1.25 -0.24 0.87 -0.95 0.00 0.00 178.83 179.83 1uil h LYS 38 N 0.10 -0.65 0.00 1.46 1.79 0.13 -3.03 116.57 116.36 1uil h LYS 38 Ca -0.28 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1uil h LYS 38 Cb 2.07 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 32.87 1uil h LYS 38 CO 0.19 -0.36 0.00 0.39 -1.08 0.00 0.00 179.45 178.59 1uil n GLU 39 N -5.25 0.10 -2.02 3.15 -0.58 -0.92 -4.86 120.64 110.26 1uil n GLU 39 Ca -0.10 0.24 -0.09 0.00 -0.42 0.00 0.00 57.16 56.79 1uil n GLU 39 Cb 0.30 -1.66 -0.01 0.00 -0.57 0.00 0.00 31.44 29.51 1uil n GLU 39 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1uil n LYS 40 N -1.83 -0.72 -2.15 3.49 5.02 -0.31 -5.01 118.16 116.65 1uil n LYS 40 Ca 0.04 0.51 -0.28 0.00 -2.02 0.00 0.00 58.31 56.56 1uil n LYS 40 Cb 0.26 -4.51 0.04 0.00 -0.02 0.00 0.00 35.03 30.81 1uil n LYS 40 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1uil s ILE 41 N -2.44 3.43 -0.05 -0.18 1.01 0.44 -4.93 121.20 118.47 1uil s ILE 41 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.86 1uil s ILE 41 Cb 0.00 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 39.07 1uil s ILE 41 CO 0.00 -0.48 -0.11 -1.10 0.00 0.00 0.00 174.94 173.25 1uil s GLN 42 N -5.18 1.43 -0.29 2.79 -0.21 -1.26 -4.45 119.66 112.48 1uil s GLN 42 Ca 0.56 -0.38 -0.17 0.00 0.02 0.00 0.00 55.36 55.39 1uil s GLN 42 Cb -0.11 -1.23 0.12 0.00 1.00 0.00 0.00 33.01 32.79 1uil s GLN 42 CO 0.48 0.06 0.89 0.20 -2.12 0.00 0.00 175.29 174.80 1uil s GLY 43 N 0.50 -0.22 0.36 3.09 0.00 -1.26 -5.07 107.32 104.72 1uil s GLY 43 Ca -0.10 2.84 0.01 0.00 0.00 0.00 0.00 44.72 47.47 1uil s GLY 43 CO 0.02 2.42 0.05 -1.84 0.00 0.00 0.00 173.10 173.75 1uil n GLU 44 N 3.67 1.11 -4.96 2.90 0.28 -1.26 -5.06 120.64 117.31 1uil n GLU 44 Ca -0.18 -2.54 -0.32 0.00 -0.16 0.00 0.00 57.16 53.96 1uil n GLU 44 Cb 0.58 0.61 -0.15 0.00 1.43 0.00 0.00 31.44 33.91 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 -2.20 2.67 -0.41 -1.84 1.51 -1.26 -4.66 117.35 111.15 1uil s TYR 45 Ca 0.04 -0.57 -0.13 0.00 -1.01 0.00 0.00 57.07 55.40 1uil s TYR 45 Cb -0.00 -1.71 0.04 0.00 -0.11 0.00 0.00 41.96 40.18 1uil s TYR 45 CO 0.02 -0.12 0.29 0.21 -1.11 0.00 0.00 175.55 174.84 1uil s LYS 46 N -0.07 2.87 -0.23 -0.62 2.47 0.44 -4.89 119.74 119.70 1uil s LYS 46 Ca -0.04 -1.18 -0.20 0.00 -1.56 0.00 0.00 55.97 52.99 1uil s LYS 46 Cb -0.14 -3.91 -0.02 0.00 -1.46 0.00 0.00 37.83 32.30 1uil s LYS 46 CO 0.04 -0.83 0.61 0.71 0.16 0.00 0.00 175.35 176.05 1uil s TYR 47 N 1.59 3.32 -0.35 4.03 2.02 -1.25 -0.79 117.35 125.92 1uil s TYR 47 Ca 0.03 0.84 -0.06 0.00 -0.37 0.00 0.00 57.07 57.51 1uil s TYR 47 Cb -0.21 -2.81 0.05 0.00 -0.40 0.00 0.00 41.96 38.60 1uil s TYR 47 CO 0.07 -0.25 0.13 0.99 -1.57 0.00 0.00 175.55 174.92 1uil s THR 48 N 2.22 3.78 0.11 -0.71 2.01 0.23 -4.77 115.64 118.51 1uil s THR 48 Ca 0.27 -1.25 -0.30 0.00 0.31 0.00 0.00 61.69 60.71 1uil s THR 48 Cb -0.16 -3.20 -0.06 0.00 0.01 0.00 0.00 72.50 69.09 1uil s THR 48 CO 0.09 -0.26 1.07 -1.58 -0.69 0.00 0.00 174.62 173.25 1uil s GLN 49 N 1.38 4.58 0.00 4.92 -0.44 -1.26 0.17 119.66 129.01 1uil s GLN 49 Ca -0.00 1.62 0.00 0.00 -2.50 0.00 0.00 55.36 54.48 1uil s GLN 49 Cb -0.20 -3.34 0.00 0.00 -1.64 0.00 0.00 33.01 27.82 1uil s GLN 49 CO 0.02 0.02 0.00 1.33 0.50 0.00 0.00 175.29 177.16 1uil n VAL 50 N 3.02 0.00 -1.05 1.34 0.24 -0.62 -4.95 118.33 116.31 1uil n VAL 50 Ca 0.04 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.48 1uil n VAL 50 Cb 0.48 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.81 1uil n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1uil n GLY 51 N 0.46 -1.47 3.81 7.63 0.00 -1.26 -2.95 105.19 111.42 1uil n GLY 51 Ca 0.00 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.31 2.47 0.08 1.61 0.04 -1.11 -4.68 135.00 131.10 1uil s PRO 52 Ca 0.00 0.79 -0.31 0.00 0.04 0.00 0.00 61.00 61.51 1uil s PRO 52 Cb 0.00 -1.95 -0.17 0.00 0.04 0.00 0.00 34.50 32.42 1uil s PRO 52 CO 0.00 -1.39 1.64 0.22 0.04 0.00 0.00 177.00 177.51 1uil h ASP 53 N -0.92 -0.73 -1.47 6.66 1.82 -1.97 0.43 116.42 120.24 1uil h ASP 53 Ca -0.45 0.04 0.45 0.00 -0.39 0.00 0.00 57.03 56.67 1uil h ASP 53 Cb 1.24 0.21 -0.10 0.00 0.68 0.00 0.00 39.33 41.36 1uil h ASP 53 CO 0.58 -0.47 1.00 1.12 -1.61 0.00 0.00 179.24 179.86 1uil h HIS 54 N -0.76 0.31 -1.71 0.28 2.07 -1.99 -3.10 115.15 110.26 1uil h HIS 54 Ca -0.06 0.01 -0.32 0.00 -2.85 0.00 0.00 60.37 57.15 1uil h HIS 54 Cb 0.61 -0.08 -0.28 0.00 2.57 0.00 0.00 27.41 30.23 1uil h HIS 54 CO -0.08 -0.11 -0.66 1.21 -3.07 0.00 0.00 177.93 175.22 1uil s ASN 55 N -4.46 0.36 0.46 3.10 3.84 -0.53 -5.14 114.94 112.56 1uil s ASN 55 Ca -0.07 -1.70 0.06 0.00 0.21 0.00 0.00 52.86 51.36 1uil s ASN 55 Cb 0.28 0.86 -0.03 0.00 -0.55 0.00 0.00 41.25 41.81 1uil s ASN 55 CO 0.84 -0.20 0.18 0.00 -2.79 0.00 0.00 177.10 175.13 1uil s ARG 56 N 1.20 2.20 -0.24 0.43 1.70 0.14 -2.73 118.95 121.66 1uil s ARG 56 Ca 0.21 -2.02 -0.12 0.00 -0.47 0.00 0.00 55.73 53.32 1uil s ARG 56 Cb -0.09 -1.88 0.08 0.00 -0.57 0.00 0.00 34.95 32.49 1uil s ARG 56 CO -0.06 -0.27 0.57 -1.12 -1.08 0.00 0.00 175.30 173.34 1uil s SER 57 N -3.97 -0.77 -0.34 -2.89 0.01 -1.15 -4.98 113.70 99.62 1uil s SER 57 Ca 0.31 1.27 -0.21 0.00 1.31 0.00 0.00 55.95 58.64 1uil s SER 57 Cb 0.03 1.28 -0.00 0.00 0.21 0.00 0.00 66.02 67.53 1uil s SER 57 CO 0.18 -0.22 0.65 -0.36 0.41 0.00 0.00 173.24 173.90 1uil s PHE 58 N 1.78 3.17 -0.63 2.43 0.40 -1.26 -1.59 117.98 122.28 1uil s PHE 58 Ca -0.09 0.45 -0.28 0.00 -0.60 0.00 0.00 56.93 56.42 1uil s PHE 58 Cb -0.07 -3.12 0.03 0.00 0.51 0.00 0.00 43.02 40.37 1uil s PHE 58 CO -0.17 -0.59 1.23 0.42 0.70 0.00 0.00 175.22 176.81 1uil s ILE 59 N 2.72 3.92 -0.45 0.64 1.01 0.45 -3.99 121.20 125.50 1uil s ILE 59 Ca 0.25 0.75 -0.23 0.00 0.00 0.00 0.00 60.65 61.42 1uil s ILE 59 Cb -0.14 -4.78 0.03 0.00 0.01 0.00 0.00 42.46 37.57 1uil s ILE 59 CO 0.14 -1.50 0.77 0.00 0.00 0.00 0.00 174.94 174.35 1uil s ALA 60 N 5.24 3.29 0.18 9.38 0.00 -0.63 0.75 121.76 139.97 1uil s ALA 60 Ca 0.41 -1.04 0.09 0.00 0.00 0.00 0.00 51.96 51.42 1uil s ALA 60 Cb -0.08 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1uil s ALA 60 CO 0.22 -1.92 -0.12 -1.83 0.00 0.00 0.00 175.76 172.12 1uil s GLU 61 N 3.24 1.98 -0.20 0.00 4.04 0.03 -2.25 118.70 125.54 1uil s GLU 61 Ca 0.29 -1.31 -0.21 0.00 0.04 0.00 0.00 54.97 53.78 1uil s GLU 61 Cb -0.12 -2.11 0.06 0.00 0.02 0.00 0.00 34.13 31.97 1uil s GLU 61 CO 0.22 0.43 0.58 1.41 -1.84 0.00 0.00 175.26 176.06 1uil s MET 62 N -2.83 0.70 -0.02 -4.83 1.75 -0.79 -0.42 119.30 112.86 1uil s MET 62 Ca 0.24 0.74 0.03 0.00 -1.25 0.00 0.00 55.69 55.45 1uil s MET 62 Cb -0.09 0.34 -0.00 0.00 2.84 0.00 0.00 34.83 37.92 1uil s MET 62 CO 0.14 -0.10 -0.09 0.99 -0.65 0.00 0.00 175.02 175.31 1uil s THR 63 N 0.16 0.79 0.04 10.11 2.01 -1.26 0.77 115.64 128.26 1uil s THR 63 Ca -0.01 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.61 1uil s THR 63 Cb -0.04 -0.68 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 1uil s THR 63 CO 0.01 0.24 -0.05 0.27 -0.69 0.00 0.00 174.62 174.40 1uil s ILE 64 N 0.01 0.35 -0.07 1.82 -4.36 -0.03 -4.92 121.20 113.99 1uil s ILE 64 Ca -0.00 -1.17 0.04 0.00 -0.26 0.00 0.00 60.65 59.25 1uil s ILE 64 Cb -0.06 -0.67 -0.02 0.00 1.25 0.00 0.00 42.46 42.96 1uil s ILE 64 CO 0.00 -0.54 -0.17 -0.47 0.24 0.00 0.00 174.94 174.00 1uil s TYR 65 N -1.90 2.65 -0.26 1.37 6.14 -1.26 0.04 117.35 124.12 1uil s TYR 65 Ca -0.09 -0.40 -0.05 0.00 0.64 0.00 0.00 57.07 57.17 1uil s TYR 65 Cb -0.07 -1.66 0.00 0.00 0.42 0.00 0.00 41.96 40.65 1uil s TYR 65 CO -0.02 -0.00 0.02 0.42 0.64 0.00 0.00 175.55 176.61 1uil s ILE 66 N -0.36 3.63 0.09 3.14 -1.09 0.28 -4.95 121.20 121.94 1uil s ILE 66 Ca 0.03 -0.63 -0.12 0.00 -2.23 0.00 0.00 60.65 57.71 1uil s ILE 66 Cb -0.12 -2.78 -0.22 0.00 -1.58 0.00 0.00 42.46 37.75 1uil s ILE 66 CO 0.02 0.24 1.22 0.07 -1.23 0.00 0.00 174.94 175.26 1uil h LYS 67 N 8.16 0.64 0.00 2.79 2.10 -1.95 0.41 116.57 128.71 1uil h LYS 67 Ca -0.36 -0.68 0.00 0.00 -2.00 0.00 0.00 60.65 57.61 1uil h LYS 67 Cb 1.14 0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1uil h LYS 67 CO 0.59 1.28 0.00 -0.56 -2.00 0.00 0.00 179.45 178.76 1uil h GLN 68 N 0.36 0.00 0.00 0.07 3.07 -1.93 -2.27 115.11 114.41 1uil h GLN 68 Ca -0.12 0.00 -0.30 0.00 0.09 0.00 0.00 58.65 58.32 1uil h GLN 68 Cb 1.67 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 29.17 1uil h GLN 68 CO 0.20 0.00 -2.15 1.28 0.09 0.00 0.00 178.83 178.25 1uil n LEU 69 N -2.78 2.37 0.00 0.06 4.77 -1.13 -5.01 117.00 115.29 1uil n LEU 69 Ca -0.02 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1uil n LEU 69 Cb 0.09 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1uil n LEU 69 CO 0.17 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1uil n GLY 70 N 2.42 0.87 0.49 -0.72 0.00 0.14 -5.05 105.19 103.34 1uil n GLY 70 Ca -0.34 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.62 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 0.19 -3.86 1.61 1.85 -0.77 -5.00 116.66 108.44 1uil n ARG 71 Ca 0.00 -0.51 -0.11 0.00 -1.00 0.00 0.00 57.85 56.23 1uil n ARG 71 Cb 0.00 0.39 -0.10 0.00 -1.05 0.00 0.00 32.46 31.70 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 -2.21 0.44 0.15 2.89 1.04 -1.26 0.10 118.95 120.10 1uil s ARG 72 Ca 0.06 -0.28 0.08 0.00 -1.04 0.00 0.00 55.73 54.54 1uil s ARG 72 Cb 0.00 0.19 -0.04 0.00 -2.04 0.00 0.00 34.95 33.06 1uil s ARG 72 CO 0.04 -0.10 -0.07 0.96 -0.04 0.00 0.00 175.30 176.08 1uil s ILE 73 N -1.13 3.40 0.09 4.99 -4.36 0.11 -4.96 121.20 119.33 1uil s ILE 73 Ca -0.12 -1.44 0.05 0.00 -0.26 0.00 0.00 60.65 58.88 1uil s ILE 73 Cb -0.06 -2.65 -0.03 0.00 1.25 0.00 0.00 42.46 40.96 1uil s ILE 73 CO 0.01 -0.02 -0.13 0.12 0.24 0.00 0.00 174.94 175.16 1uil s PHE 74 N -1.51 1.24 0.11 1.37 2.19 -1.26 -0.85 117.98 119.27 1uil s PHE 74 Ca 0.24 -0.53 0.01 0.00 0.33 0.00 0.00 56.93 56.98 1uil s PHE 74 Cb -0.10 -0.68 -0.04 0.00 -1.31 0.00 0.00 43.02 40.89 1uil s PHE 74 CO 0.15 0.07 -0.04 0.00 1.83 0.00 0.00 175.22 177.24 1uil s ALA 75 N -1.79 0.98 -0.30 11.12 0.00 0.23 -4.89 121.76 127.11 1uil s ALA 75 Ca 0.03 -1.39 -0.12 0.00 0.00 0.00 0.00 51.96 50.48 1uil s ALA 75 Cb -0.07 0.31 0.18 0.00 0.00 0.00 0.00 23.12 23.55 1uil s ALA 75 CO 0.02 -0.29 1.08 0.50 0.00 0.00 0.00 175.76 177.06 1uil s ARG 76 N -3.88 0.12 0.38 0.00 3.52 -1.26 -1.89 118.95 115.94 1uil s ARG 76 Ca 0.15 0.08 0.08 0.00 -0.13 0.00 0.00 55.73 55.90 1uil s ARG 76 Cb 0.06 0.04 -0.05 0.00 -1.56 0.00 0.00 34.95 33.45 1uil s ARG 76 CO -0.03 -0.21 0.16 -1.21 -0.81 0.00 0.00 175.30 173.20 1uil s GLU 77 N 2.77 2.27 -0.56 5.12 0.41 -0.95 -4.96 118.70 122.79 1uil s GLU 77 Ca 0.26 -1.72 0.06 0.00 -0.41 0.00 0.00 54.97 53.16 1uil s GLU 77 Cb -0.00 -2.06 0.32 0.00 -1.78 0.00 0.00 34.13 30.61 1uil s GLU 77 CO -0.21 -0.02 0.88 -2.39 -0.49 0.00 0.00 175.26 173.03 1uil n HIS 78 N -1.19 3.42 -0.65 1.61 1.44 -1.26 -1.61 115.22 116.97 1uil n HIS 78 Ca -0.02 -3.99 -0.30 0.00 -2.01 0.00 0.00 57.72 51.40 1uil n HIS 78 Cb 0.63 -0.49 0.26 0.00 0.12 0.00 0.00 29.99 30.51 1uil n HIS 78 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1uil s GLY 79 N -3.12 1.49 -0.04 -1.39 0.00 -1.26 -4.90 107.32 98.10 1uil s GLY 79 Ca 0.46 -0.71 -0.07 0.00 0.00 0.00 0.00 44.72 44.40 1uil s GLY 79 CO -0.11 0.19 0.34 0.23 0.00 0.00 0.00 173.10 173.75 1uil h SER 80 N -2.97 -0.20 -2.40 1.64 0.87 -1.92 -3.35 113.55 105.22 1uil h SER 80 Ca -0.48 0.01 -0.55 0.00 -1.23 0.00 0.00 61.79 59.54 1uil h SER 80 Cb 1.33 0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 63.26 1uil h SER 80 CO 0.36 0.13 -0.60 0.54 -0.53 0.00 0.00 176.83 176.73 1uil s ASN 81 N -4.51 5.03 0.20 6.23 2.20 -1.26 -4.22 114.94 118.60 1uil s ASN 81 Ca -0.03 -0.40 -0.22 0.00 -0.94 0.00 0.00 52.86 51.26 1uil s ASN 81 Cb 0.00 -1.14 0.12 0.00 -2.00 0.00 0.00 41.25 38.23 1uil s ASN 81 CO 0.10 0.01 1.51 0.29 -2.94 0.00 0.00 177.10 176.08 1uil n LYS 82 N -0.77 -0.31 0.00 3.55 5.02 -1.26 -0.41 118.16 123.99 1uil n LYS 82 Ca -0.08 1.49 0.00 0.00 -2.02 0.00 0.00 58.31 57.71 1uil n LYS 82 Cb 0.57 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 1uil n LYS 82 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1uil n LYS 83 N -5.35 0.00 -0.04 1.97 3.00 -1.26 0.95 118.16 117.43 1uil n LYS 83 Ca 0.07 0.76 -0.01 0.00 -0.00 0.00 0.00 58.31 59.12 1uil n LYS 83 Cb 0.34 -1.34 -0.01 0.00 0.00 0.00 0.00 35.03 34.01 1uil n LYS 83 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1uil h LEU 84 N 0.00 -0.25 -0.95 3.14 3.38 -1.60 1.12 115.31 120.14 1uil h LEU 84 Ca 0.00 0.04 0.39 0.00 0.09 0.00 0.00 57.88 58.40 1uil h LEU 84 Cb 0.00 0.11 -0.16 0.00 0.09 0.00 0.00 40.66 40.70 1uil h LEU 84 CO 0.00 -0.03 0.53 0.00 0.09 0.00 0.00 178.44 179.03 1uil n ALA 85 N -2.97 0.97 0.31 1.53 0.00 0.46 0.11 120.51 120.93 1uil n ALA 85 Ca 0.00 0.91 -0.14 0.00 0.00 0.00 0.00 53.44 54.21 1uil n ALA 85 Cb 0.03 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 18.48 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 1.77 -0.81 -0.62 0.00 0.00 0.79 -1.80 119.26 118.58 1uil h ALA 86 Ca 0.77 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.61 1uil h ALA 86 Cb 2.11 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 20.10 1uil h ALA 86 CO -0.66 -0.80 -0.17 1.96 0.00 0.00 0.00 179.25 179.58 1uil h GLN 87 N -1.13 -0.01 -0.67 0.00 4.20 0.51 0.60 115.11 118.60 1uil h GLN 87 Ca -0.08 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.73 1uil h GLN 87 Cb 0.67 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.37 1uil h GLN 87 CO 0.14 -0.01 0.29 1.03 -0.67 0.00 0.00 178.83 179.61 1uil h SER 88 N -0.01 0.34 0.50 1.46 0.87 -0.51 0.29 113.55 116.49 1uil h SER 88 Ca 0.30 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 1uil h SER 88 Cb 0.47 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1uil h SER 88 CO -0.65 0.19 -0.24 0.00 -0.53 0.00 0.00 176.83 175.60 1uil h ALA 90 N -1.56 -0.23 -1.14 0.00 0.00 0.33 1.52 119.26 118.17 1uil h ALA 90 Ca -0.07 0.04 0.34 0.00 0.00 0.00 0.00 54.91 55.22 1uil h ALA 90 Cb 0.52 1.12 -0.12 0.00 0.00 0.00 0.00 17.79 19.31 1uil h ALA 90 CO 0.11 -0.39 0.72 1.25 0.00 0.00 0.00 179.25 180.94 1uil h LEU 91 N -0.01 0.38 -0.19 0.00 5.85 -0.49 0.77 115.31 121.63 1uil h LEU 91 Ca 0.06 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1uil h LEU 91 Cb 0.16 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1uil h LEU 91 CO -0.35 -0.06 -0.03 -1.28 -0.34 0.00 0.00 178.44 176.38 1uil h SER 92 N 0.26 -0.13 -0.08 1.25 0.87 0.36 0.41 113.55 116.49 1uil h SER 92 Ca 0.71 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 61.28 1uil h SER 92 Cb 1.95 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 64.01 1uil h SER 92 CO -0.40 -0.04 -0.08 -0.07 -0.53 0.00 0.00 176.83 175.71 1uil h LEU 93 N 0.02 0.21 -0.47 2.23 -0.00 0.19 -2.39 115.31 115.11 1uil h LEU 93 Ca 0.09 -0.48 0.09 0.00 -0.00 0.00 0.00 57.88 57.58 1uil h LEU 93 Cb 0.13 -0.06 -0.10 0.00 -0.00 0.00 0.00 40.66 40.63 1uil h LEU 93 CO -0.17 0.65 -0.23 0.58 -0.00 0.00 0.00 178.44 179.26 1uil h VAL 94 N -0.22 0.34 -0.15 1.22 2.07 -0.01 0.84 116.25 120.34 1uil h VAL 94 Ca 0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1uil h VAL 94 Cb 0.59 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1uil h VAL 94 CO 0.02 0.00 -0.14 0.03 0.02 0.00 0.00 177.57 177.50 1uil h ARG 95 N -0.13 -0.15 -0.58 1.57 3.08 -0.17 0.87 114.38 118.86 1uil h ARG 95 Ca 0.22 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.32 1uil h ARG 95 Cb 0.48 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 1uil h ARG 95 CO -0.55 -0.10 0.33 1.96 -1.07 0.00 0.00 179.97 180.54 1uil h GLN 96 N -0.16 0.62 0.38 0.04 4.20 -0.56 0.11 115.11 119.75 1uil h GLN 96 Ca 0.10 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 1uil h GLN 96 Cb 0.30 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1uil h GLN 96 CO -0.25 0.41 -0.43 -0.07 -0.67 0.00 0.00 178.83 177.82 1uil h LEU 97 N 0.64 -1.19 0.16 1.46 3.38 0.15 0.37 115.31 120.28 1uil h LEU 97 Ca 0.24 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.33 1uil h LEU 97 Cb 0.09 0.40 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1uil h LEU 97 CO -0.13 -0.57 -0.42 0.22 0.09 0.00 0.00 178.44 177.63 1uil h TYR 98 N -0.84 -1.16 -0.02 1.13 3.20 -0.52 0.71 116.97 119.46 1uil h TYR 98 Ca -0.03 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1uil h TYR 98 Cb 0.76 0.49 -0.03 0.00 1.54 0.00 0.00 36.73 39.49 1uil h TYR 98 CO -0.25 -0.52 -0.25 1.25 -1.64 0.00 0.00 178.16 176.75 1uil h HIS 99 N -0.68 -0.74 -0.80 -3.82 -0.00 -0.61 -1.28 115.15 107.23 1uil h HIS 99 Ca 0.01 0.02 0.17 0.00 -0.00 0.00 0.00 60.37 60.58 1uil h HIS 99 Cb 0.69 0.32 -0.15 0.00 -0.00 0.00 0.00 27.41 28.27 1uil h HIS 99 CO -0.34 -0.26 -0.11 -0.07 -0.00 0.00 0.00 177.93 177.15 1uil h LEU 100 N -0.30 -0.58 0.00 0.26 3.38 -0.13 -3.45 115.31 114.49 1uil h LEU 100 Ca 0.01 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1uil h LEU 100 Cb 0.33 0.44 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1uil h LEU 100 CO -0.18 -0.24 0.00 0.61 0.09 0.00 0.00 178.44 178.72 1uil n GLY 101 N -1.48 0.73 0.36 0.83 0.00 0.12 -5.07 105.19 100.68 1uil n GLY 101 Ca 0.13 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 0.48 -3.78 1.61 0.31 0.20 -4.98 118.33 112.17 1uil n VAL 102 Ca 0.00 -0.16 -0.22 0.00 -0.01 0.00 0.00 64.34 63.96 1uil n VAL 102 Cb 0.00 -1.18 -0.04 0.00 -0.91 0.00 0.00 33.84 31.71 1uil n VAL 102 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1uil s ILE 103 N -2.17 2.88 0.04 2.52 -4.36 -1.24 -4.94 121.20 113.94 1uil s ILE 103 Ca -0.12 -1.45 0.08 0.00 -0.26 0.00 0.00 60.65 58.90 1uil s ILE 103 Cb 0.04 -3.04 -0.03 0.00 1.25 0.00 0.00 42.46 40.68 1uil s ILE 103 CO 0.18 -0.07 -0.22 -1.83 0.24 0.00 0.00 174.94 173.24 1uil s GLU 104 N -4.03 1.96 0.10 0.37 -1.05 -1.26 -4.48 118.70 110.32 1uil s GLU 104 Ca 0.44 -1.03 -0.35 0.00 -0.15 0.00 0.00 54.97 53.88 1uil s GLU 104 Cb -0.03 -2.09 -0.18 0.00 -0.44 0.00 0.00 34.13 31.39 1uil s GLU 104 CO 0.26 0.53 1.03 0.00 0.95 0.00 0.00 175.26 178.03 1uil n ALA 105 N 1.70 -2.25 -2.70 -0.84 0.00 -1.26 -4.86 120.51 110.29 1uil n ALA 105 Ca -0.17 0.52 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 1uil n ALA 105 Cb 0.52 -1.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 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 -0.19 3.61 -0.06 0.00 6.14 -1.26 -4.91 117.35 120.67 1uil s TYR 106 Ca 0.79 1.65 0.19 0.00 0.64 0.00 0.00 57.07 60.34 1uil s TYR 106 Cb -1.03 -3.13 -0.29 0.00 0.42 0.00 0.00 41.96 37.93 1uil s TYR 106 CO 0.54 -0.07 0.43 0.45 0.64 0.00 0.00 175.55 177.54 1uil n SER 107 N 4.23 0.66 -3.11 4.32 2.88 -1.26 -2.79 113.62 118.54 1uil n SER 107 Ca 0.06 -0.04 -0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1uil n SER 107 Cb 0.50 1.84 -0.00 0.00 -0.75 0.00 0.00 64.21 65.80 1uil n SER 107 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uil n SER 108 N -2.13 -6.76 -0.74 -3.46 2.88 -1.26 -4.74 113.62 97.41 1uil n SER 108 Ca -0.03 0.60 0.08 0.00 -1.33 0.00 0.00 58.87 58.18 1uil n SER 108 Cb 0.49 -2.11 -0.04 0.00 -0.75 0.00 0.00 64.21 61.80 1uil n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uil n GLY 109 N 1.34 -3.08 3.67 0.46 0.00 -1.26 -4.79 105.19 101.53 1uil n GLY 109 Ca -0.01 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.81 4.26 -0.08 1.61 0.04 -1.26 -4.94 135.00 130.81 1uil s PRO 110 Ca 0.00 1.69 -0.08 0.00 0.04 0.00 0.00 61.00 62.64 1uil s PRO 110 Cb 0.00 -3.72 -0.06 0.00 0.04 0.00 0.00 34.50 30.76 1uil s PRO 110 CO 0.00 -0.65 0.32 0.77 0.04 0.00 0.00 177.00 177.48 1uil h SER 111 N 8.08 -0.16 -0.39 6.66 0.02 -1.86 -3.47 113.55 122.42 1uil h SER 111 Ca -0.29 -0.10 0.23 0.00 -0.84 0.00 0.00 61.79 60.80 1uil h SER 111 Cb 1.12 0.04 -0.22 0.00 0.14 0.00 0.00 62.40 63.48 1uil h SER 111 CO 0.95 0.36 0.17 -0.94 -1.14 0.00 0.00 176.83 176.23 1uil s SER 112 N -5.40 -0.44 0.00 3.07 1.04 -1.26 -5.28 113.70 105.43 1uil s SER 112 Ca -0.05 0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1uil s SER 112 Cb 0.00 1.39 0.00 0.00 0.10 0.00 0.00 66.02 67.52 1uil s SER 112 CO 0.16 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.91