#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 -0.35 -0.06 1.61 1.04 -1.26 -5.18 113.70 109.50 1uil s SER 2 Ca 0.00 -0.34 -0.30 0.00 0.48 0.00 0.00 55.95 55.79 1uil s SER 2 Cb 0.00 0.62 0.09 0.00 0.10 0.00 0.00 66.02 66.83 1uil s SER 2 CO 0.00 -1.10 0.79 -0.44 0.98 0.00 0.00 173.24 173.48 1uil s SER 3 N -2.83 -0.52 0.47 7.02 0.01 -1.26 -5.19 113.70 111.40 1uil s SER 3 Ca 0.08 0.46 0.03 0.00 1.31 0.00 0.00 55.95 57.82 1uil s SER 3 Cb -0.03 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.62 1uil s SER 3 CO -0.01 -0.57 0.02 -0.83 0.41 0.00 0.00 173.24 172.26 1uil s GLY 4 N -1.49 2.82 -0.23 3.44 0.00 -1.26 -5.16 107.32 105.44 1uil s GLY 4 Ca -0.05 -1.05 -0.27 0.00 0.00 0.00 0.00 44.72 43.35 1uil s GLY 4 CO 0.03 -2.13 1.01 -1.35 0.00 0.00 0.00 173.10 170.65 1uil s SER 5 N -3.80 -0.43 0.14 1.64 1.04 -1.26 -5.18 113.70 105.85 1uil s SER 5 Ca 0.16 0.71 -0.17 0.00 0.48 0.00 0.00 55.95 57.14 1uil s SER 5 Cb 0.04 0.68 0.04 0.00 0.10 0.00 0.00 66.02 66.88 1uil s SER 5 CO 0.09 -0.23 0.44 -0.55 0.98 0.00 0.00 173.24 173.96 1uil s SER 6 N -0.26 -0.28 0.00 7.02 0.15 -1.26 -5.12 113.70 113.95 1uil s SER 6 Ca 0.01 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.36 1uil s SER 6 Cb -0.03 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1uil s SER 6 CO -0.03 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.13 1uil n GLY 7 N -0.26 0.14 1.11 9.45 0.00 -1.26 -4.70 105.19 109.67 1uil n GLY 7 Ca -0.15 -1.17 -0.02 0.00 0.00 0.00 0.00 46.02 44.67 1uil n GLY 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1uil n LEU 8 N 0.00 -0.47 -0.85 0.99 -0.00 -1.26 -4.96 117.00 110.45 1uil n LEU 8 Ca 0.00 -1.16 0.04 0.00 -0.00 0.00 0.00 56.01 54.89 1uil n LEU 8 Cb 0.00 0.20 0.22 0.00 -0.00 0.00 0.00 43.42 43.84 1uil n LEU 8 CO 0.00 1.03 0.67 1.21 -0.00 0.00 0.00 177.39 180.30 1uil n GLU 9 N -0.20 2.25 -1.02 1.47 2.13 -1.26 -4.91 120.64 119.10 1uil n GLU 9 Ca -0.10 -2.93 -0.01 0.00 0.66 0.00 0.00 57.16 54.78 1uil n GLU 9 Cb 0.50 -1.78 -0.00 0.00 0.27 0.00 0.00 31.44 30.43 1uil n GLU 9 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1uil n SER 10 N -0.89 -5.11 -3.81 4.31 2.88 -1.26 -3.61 113.62 106.13 1uil n SER 10 Ca 0.25 0.02 -0.26 0.00 -1.33 0.00 0.00 58.87 57.55 1uil n SER 10 Cb 0.90 -2.68 0.00 0.00 -0.75 0.00 0.00 64.21 61.68 1uil n SER 10 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1uil n GLU 11 N -0.30 -1.48 -2.21 -1.46 1.02 -1.26 -4.20 120.64 110.75 1uil n GLU 11 Ca -0.01 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 1uil n GLU 11 Cb 0.36 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 1uil n GLU 11 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1uil n GLU 12 N -2.76 -5.21 -4.25 3.49 4.07 -1.24 -5.04 120.64 109.70 1uil n GLU 12 Ca -0.31 3.72 -0.17 0.00 -0.06 0.00 0.00 57.16 60.33 1uil n GLU 12 Cb 0.69 -4.33 -0.13 0.00 -0.06 0.00 0.00 31.44 27.61 1uil n GLU 12 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1uil s VAL 13 N -0.53 0.82 0.05 6.31 0.11 -1.26 -5.06 120.40 120.84 1uil s VAL 13 Ca 0.00 -0.85 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 1uil s VAL 13 Cb 0.00 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 1uil s VAL 13 CO 0.00 -0.06 0.00 -0.90 -3.33 0.00 0.00 175.10 170.81 1uil n ASP 14 N 2.03 0.22 0.00 3.54 5.68 -1.26 -5.04 116.55 121.73 1uil n ASP 14 Ca -0.18 0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.19 1uil n ASP 14 Cb 0.55 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1uil n ASP 14 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1uil n LEU 15 N -2.81 0.00 -0.05 -2.12 -0.00 -1.26 -4.28 117.00 106.48 1uil n LEU 15 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.84 1uil n LEU 15 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 1uil n LEU 15 CO 0.00 0.00 0.05 -0.55 -0.00 0.00 0.00 177.39 176.89 1uil h ASN 16 N 0.00 0.11 0.14 1.96 7.08 -2.01 -3.29 115.58 119.57 1uil h ASN 16 Ca 0.00 -0.87 0.01 0.00 -3.08 0.00 0.00 56.30 52.36 1uil h ASN 16 Cb 0.00 -0.04 -0.04 0.00 -2.08 0.00 0.00 38.32 36.16 1uil h ASN 16 CO 0.00 1.23 -0.49 0.00 -2.08 0.00 0.00 177.43 176.09 1uil h ALA 17 N -0.10 -0.98 -0.87 4.14 0.00 -1.98 -2.40 119.26 117.07 1uil h ALA 17 Ca -0.13 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.76 1uil h ALA 17 Cb 1.24 0.85 -0.11 0.00 0.00 0.00 0.00 17.79 19.78 1uil h ALA 17 CO -0.02 -1.09 -0.49 0.41 0.00 0.00 0.00 179.25 178.06 1uil n GLY 18 N -1.45 -2.19 0.42 0.00 0.00 -1.26 0.20 105.19 100.90 1uil n GLY 18 Ca -0.08 1.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.87 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 -1.92 0.48 0.99 3.38 -1.51 -0.26 115.31 116.47 1uil h LEU 19 Ca 0.17 0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.43 1uil h LEU 19 Cb 0.39 0.86 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1uil h LEU 19 CO -0.83 -0.28 -0.42 0.45 0.09 0.00 0.00 178.44 177.45 1uil h HIS 20 N -0.10 -1.14 0.00 1.13 3.86 0.03 -3.49 115.15 115.44 1uil h HIS 20 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1uil h HIS 20 Cb 0.49 0.44 0.00 0.00 1.06 0.00 0.00 27.41 29.40 1uil h HIS 20 CO -0.91 -0.59 0.00 0.41 0.86 0.00 0.00 177.93 177.70 1uil n GLY 21 N -1.52 0.78 2.76 2.45 0.00 0.13 -4.91 105.19 104.88 1uil n GLY 21 Ca -0.11 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 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 4.20 -4.46 1.61 3.02 -1.26 -4.87 115.26 113.50 1uil n ASN 22 Ca 0.00 -2.74 -0.35 0.00 -0.03 0.00 0.00 54.58 51.47 1uil n ASN 22 Cb 0.00 -1.48 -0.12 0.00 -0.61 0.00 0.00 39.78 37.57 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 3.53 3.05 0.13 3.10 0.23 -1.26 -4.13 118.94 123.59 1uil s TRP 23 Ca 0.52 -0.41 0.10 0.00 -2.03 0.00 0.00 56.10 54.28 1uil s TRP 23 Cb 0.14 -2.06 -0.04 0.00 0.03 0.00 0.00 33.47 31.54 1uil s TRP 23 CO -0.03 -0.19 -0.25 0.95 0.96 0.00 0.00 176.95 178.39 1uil s THR 24 N 0.87 2.12 0.17 2.01 -4.23 -1.26 -4.98 115.64 110.33 1uil s THR 24 Ca 0.01 -1.75 -0.15 0.00 -1.18 0.00 0.00 61.69 58.62 1uil s THR 24 Cb -0.14 -1.90 0.07 0.00 1.34 0.00 0.00 72.50 71.86 1uil s THR 24 CO 0.02 0.01 1.72 -0.07 -0.54 0.00 0.00 174.62 175.75 1uil h LEU 25 N 3.81 -0.03 0.26 4.79 3.38 -1.98 0.94 115.31 126.48 1uil h LEU 25 Ca -0.49 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1uil h LEU 25 Cb 1.18 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1uil h LEU 25 CO 0.41 0.02 -0.13 -0.33 0.09 0.00 0.00 178.44 178.50 1uil h GLU 26 N 0.19 -0.34 -0.35 1.13 5.08 -1.96 -1.56 114.58 116.76 1uil h GLU 26 Ca 0.20 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 1uil h GLU 26 Cb 0.26 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 1uil h GLU 26 CO -0.28 -0.23 -0.50 -0.97 -1.00 0.00 0.00 179.01 176.03 1uil h ASN 27 N -0.37 -1.66 -0.81 1.42 -0.73 -1.95 -1.13 115.58 110.35 1uil h ASN 27 Ca -0.04 0.23 0.07 0.00 1.87 0.00 0.00 56.30 58.43 1uil h ASN 27 Cb 0.27 0.69 -0.10 0.00 0.27 0.00 0.00 38.32 39.45 1uil h ASN 27 CO 0.06 -0.41 -0.48 0.00 -0.37 0.00 0.00 177.43 176.24 1uil n ALA 28 N -3.06 -0.52 -0.17 1.57 0.00 0.32 0.70 120.51 119.35 1uil n ALA 28 Ca -0.03 0.69 -0.05 0.00 0.00 0.00 0.00 53.44 54.05 1uil n ALA 28 Cb 0.35 -0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.01 -0.20 0.00 3.64 -0.16 0.55 116.57 120.40 1uil h LYS 29 Ca 0.13 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1uil h LYS 29 Cb 0.33 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.08 1uil h LYS 29 CO -0.76 -0.01 -0.42 0.00 -2.27 0.00 0.00 179.45 175.99 1uil h ALA 30 N -0.37 -0.56 -0.67 5.00 0.00 -0.29 -2.02 119.26 120.34 1uil h ALA 30 Ca 0.07 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1uil h ALA 30 Cb 0.18 0.82 -0.09 0.00 0.00 0.00 0.00 17.79 18.70 1uil h ALA 30 CO -0.40 -0.91 -0.47 -0.09 0.00 0.00 0.00 179.25 177.38 1uil h ARG 31 N -0.45 -0.09 -0.98 0.00 9.65 0.25 0.40 114.38 123.16 1uil h ARG 31 Ca 0.09 0.01 0.18 0.00 -1.10 0.00 0.00 59.98 59.15 1uil h ARG 31 Cb 0.62 0.02 -0.18 0.00 -1.39 0.00 0.00 29.97 29.04 1uil h ARG 31 CO -0.44 -0.06 -0.30 1.25 2.80 0.00 0.00 179.97 183.22 1uil h LEU 32 N -0.09 -1.13 -0.60 3.80 5.85 0.67 1.64 115.31 125.45 1uil h LEU 32 Ca 0.11 0.30 0.05 0.00 0.84 0.00 0.00 57.88 59.18 1uil h LEU 32 Cb 0.37 0.67 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1uil h LEU 32 CO -0.68 -0.31 0.32 0.78 -0.34 0.00 0.00 178.44 178.22 1uil h ASN 33 N -0.00 0.48 -0.14 1.25 2.35 0.23 -1.87 115.58 117.87 1uil h ASN 33 Ca 0.42 0.03 0.03 0.00 -0.55 0.00 0.00 56.30 56.22 1uil h ASN 33 Cb 0.67 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.94 1uil h ASN 33 CO -1.00 0.32 -0.04 1.56 -1.65 0.00 0.00 177.43 176.62 1uil h GLN 34 N 0.61 -0.00 -0.81 0.81 1.08 0.52 0.44 115.11 117.76 1uil h GLN 34 Ca 0.27 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.64 1uil h GLN 34 Cb 0.15 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.53 1uil h GLN 34 CO -0.17 -0.00 0.54 -0.92 -0.95 0.00 0.00 178.83 177.33 1uil h TYR 35 N -0.00 0.45 0.00 2.96 3.20 0.36 0.45 116.97 124.39 1uil h TYR 35 Ca 0.07 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 1uil h TYR 35 Cb 0.11 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1uil h TYR 35 CO -0.18 0.15 -0.47 0.74 -1.64 0.00 0.00 178.16 176.76 1uil h PHE 36 N 0.37 0.00 0.08 -3.82 0.04 -0.45 -2.34 116.94 110.82 1uil h PHE 36 Ca 0.40 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.17 1uil h PHE 36 Cb 1.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.18 1uil h PHE 36 CO -0.00 0.47 -0.04 1.96 -0.60 0.00 0.00 178.31 180.10 1uil h GLN 37 N 0.00 -0.11 0.33 1.51 4.20 0.19 1.20 115.11 122.43 1uil h GLN 37 Ca -0.00 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1uil h GLN 37 Cb 1.33 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.13 1uil h GLN 37 CO 0.06 0.43 -0.16 0.87 -0.67 0.00 0.00 178.83 179.37 1uil h LYS 38 N -0.85 -0.43 0.00 1.46 6.56 -1.04 -1.92 116.57 120.36 1uil h LYS 38 Ca -0.01 0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1uil h LYS 38 Cb 0.59 0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.35 1uil h LYS 38 CO 0.02 -0.25 -0.01 0.93 -2.06 0.00 0.00 179.45 178.08 1uil h GLU 39 N -0.49 0.00 -0.54 3.15 4.39 -1.54 -3.46 114.58 116.09 1uil h GLU 39 Ca -0.05 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.52 1uil h GLU 39 Cb 0.37 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 1uil h GLU 39 CO 0.07 0.01 -0.14 1.63 -1.16 0.00 0.00 179.01 179.42 1uil n LYS 40 N -3.10 -0.49 -2.08 2.33 5.02 0.11 -5.01 118.16 114.93 1uil n LYS 40 Ca -0.00 0.59 -0.29 0.00 -2.02 0.00 0.00 58.31 56.60 1uil n LYS 40 Cb 0.26 -4.41 0.04 0.00 -0.02 0.00 0.00 35.03 30.90 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 -2.28 3.53 -0.10 -0.18 1.01 0.37 -4.94 121.20 118.61 1uil s ILE 41 Ca 0.00 0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.96 1uil s ILE 41 Cb 0.00 -3.46 0.01 0.00 0.01 0.00 0.00 42.46 39.02 1uil s ILE 41 CO 0.00 -0.56 -0.15 0.00 0.00 0.00 0.00 174.94 174.24 1uil s GLN 42 N -5.22 2.11 -0.29 2.79 -2.07 -1.26 -4.50 119.66 111.21 1uil s GLN 42 Ca 0.57 -0.53 -0.14 0.00 -1.82 0.00 0.00 55.36 53.44 1uil s GLN 42 Cb -0.11 -1.79 0.11 0.00 -1.09 0.00 0.00 33.01 30.14 1uil s GLN 42 CO 0.49 -0.04 0.74 0.20 -1.32 0.00 0.00 175.29 175.36 1uil s GLY 43 N 0.92 -0.54 0.28 2.60 0.00 -1.26 -5.09 107.32 104.23 1uil s GLY 43 Ca -0.08 2.56 0.01 0.00 0.00 0.00 0.00 44.72 47.20 1uil s GLY 43 CO -0.00 2.75 0.08 -1.84 0.00 0.00 0.00 173.10 174.09 1uil n GLU 44 N 4.71 1.23 -4.44 2.90 0.28 -1.26 -5.02 120.64 119.04 1uil n GLU 44 Ca -0.16 -1.95 -0.34 0.00 -0.16 0.00 0.00 57.16 54.56 1uil n GLU 44 Cb 0.55 0.41 -0.13 0.00 1.43 0.00 0.00 31.44 33.70 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 -1.79 2.96 -0.50 -1.84 1.51 -1.26 -4.69 117.35 111.74 1uil s TYR 45 Ca 0.06 -0.45 -0.17 0.00 -1.01 0.00 0.00 57.07 55.50 1uil s TYR 45 Cb -0.00 -1.95 0.07 0.00 -0.11 0.00 0.00 41.96 39.97 1uil s TYR 45 CO 0.04 -0.13 0.52 0.21 -1.11 0.00 0.00 175.55 175.07 1uil s LYS 46 N 0.48 3.04 -0.25 -0.62 2.20 0.03 -4.90 119.74 119.72 1uil s LYS 46 Ca -0.05 -1.19 -0.19 0.00 -0.36 0.00 0.00 55.97 54.17 1uil s LYS 46 Cb -0.15 -4.14 -0.02 0.00 -1.51 0.00 0.00 37.83 32.01 1uil s LYS 46 CO 0.03 -1.16 0.59 0.71 -0.36 0.00 0.00 175.35 175.16 1uil s TYR 47 N 2.11 3.28 -0.31 4.03 2.02 -1.25 0.15 117.35 127.38 1uil s TYR 47 Ca 0.09 0.76 -0.07 0.00 -0.37 0.00 0.00 57.07 57.48 1uil s TYR 47 Cb -0.23 -2.79 0.01 0.00 -0.40 0.00 0.00 41.96 38.55 1uil s TYR 47 CO 0.08 -0.30 0.10 0.99 -1.57 0.00 0.00 175.55 174.86 1uil s THR 48 N 2.39 4.08 -0.29 -0.71 2.01 0.24 -4.78 115.64 118.59 1uil s THR 48 Ca 0.25 -0.70 -0.28 0.00 0.31 0.00 0.00 61.69 61.27 1uil s THR 48 Cb -0.16 -3.13 0.01 0.00 0.01 0.00 0.00 72.50 69.24 1uil s THR 48 CO 0.09 0.04 1.00 -1.58 -0.69 0.00 0.00 174.62 173.47 1uil s GLN 49 N 1.51 4.10 0.48 4.92 0.74 -1.26 0.19 119.66 130.35 1uil s GLN 49 Ca 0.02 1.05 0.02 0.00 0.05 0.00 0.00 55.36 56.51 1uil s GLN 49 Cb -0.17 -3.70 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 1uil s GLN 49 CO 0.03 -0.76 0.01 0.14 -0.55 0.00 0.00 175.29 174.16 1uil s VAL 50 N 3.35 1.30 0.35 1.34 -7.23 -0.38 -4.95 120.40 114.17 1uil s VAL 50 Ca 0.42 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 1uil s VAL 50 Cb -0.13 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.46 1uil s VAL 50 CO 0.12 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.52 1uil n GLY 51 N -1.18 -1.95 3.81 2.32 0.00 -1.26 -2.42 105.19 104.51 1uil n GLY 51 Ca -0.15 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 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 3.36 0.15 1.61 0.04 -1.18 -4.69 135.00 131.98 1uil s PRO 52 Ca 0.00 1.15 -0.18 0.00 0.04 0.00 0.00 61.00 62.01 1uil s PRO 52 Cb 0.00 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.54 1uil s PRO 52 CO 0.00 -0.77 1.68 0.22 0.04 0.00 0.00 177.00 178.16 1uil h ASP 53 N 0.39 -0.33 -0.83 6.66 3.58 -1.97 0.42 116.42 124.35 1uil h ASP 53 Ca -0.47 0.10 0.21 0.00 0.42 0.00 0.00 57.03 57.29 1uil h ASP 53 Cb 1.22 0.21 -0.14 0.00 1.72 0.00 0.00 39.33 42.34 1uil h ASP 53 CO 0.58 -0.12 0.15 1.12 -2.88 0.00 0.00 179.24 178.09 1uil h HIS 54 N -0.02 0.20 -2.47 0.28 2.07 -1.99 -3.22 115.15 110.00 1uil h HIS 54 Ca 0.15 0.05 -0.59 0.00 -2.85 0.00 0.00 60.37 57.14 1uil h HIS 54 Cb 0.25 0.04 -0.39 0.00 2.57 0.00 0.00 27.41 29.89 1uil h HIS 54 CO -0.31 -0.21 -0.92 1.21 -3.07 0.00 0.00 177.93 174.64 1uil s ASN 55 N -5.14 2.12 0.49 3.10 3.84 -0.18 -5.12 114.94 114.06 1uil s ASN 55 Ca -0.13 -2.73 0.00 0.00 0.21 0.00 0.00 52.86 50.22 1uil s ASN 55 Cb 0.24 -0.45 0.00 0.00 -0.55 0.00 0.00 41.25 40.50 1uil s ASN 55 CO 0.76 -0.23 0.02 -2.11 -2.79 0.00 0.00 177.10 172.76 1uil n ARG 56 N 3.31 0.82 -3.66 0.43 1.85 0.13 -3.12 116.66 116.43 1uil n ARG 56 Ca 0.22 -3.52 -0.10 0.00 -1.00 0.00 0.00 57.85 53.45 1uil n ARG 56 Cb 0.43 0.91 -0.08 0.00 -1.05 0.00 0.00 32.46 32.67 1uil n ARG 56 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1uil s SER 57 N -3.68 -0.75 -0.57 2.89 0.01 -1.02 -4.97 113.70 105.61 1uil s SER 57 Ca 0.02 1.30 -0.21 0.00 1.31 0.00 0.00 55.95 58.37 1uil s SER 57 Cb -0.00 1.23 0.06 0.00 0.21 0.00 0.00 66.02 67.52 1uil s SER 57 CO 0.01 -0.22 0.80 -0.36 0.41 0.00 0.00 173.24 173.88 1uil s PHE 58 N 1.11 2.89 -0.47 2.43 0.40 -1.25 -1.25 117.98 121.82 1uil s PHE 58 Ca -0.06 -0.46 -0.28 0.00 -0.60 0.00 0.00 56.93 55.53 1uil s PHE 58 Cb -0.05 -3.92 -0.00 0.00 0.51 0.00 0.00 43.02 39.55 1uil s PHE 58 CO -0.11 -1.30 1.63 0.42 0.70 0.00 0.00 175.22 176.57 1uil s ILE 59 N 3.32 3.62 -0.47 0.64 1.01 0.49 -4.35 121.20 125.46 1uil s ILE 59 Ca 0.20 0.56 -0.24 0.00 0.00 0.00 0.00 60.65 61.17 1uil s ILE 59 Cb -0.18 -4.04 0.03 0.00 0.01 0.00 0.00 42.46 38.28 1uil s ILE 59 CO 0.13 -0.80 0.85 0.00 0.00 0.00 0.00 174.94 175.12 1uil s ALA 60 N 6.88 3.26 -0.08 9.38 0.00 -1.16 0.82 121.76 140.86 1uil s ALA 60 Ca 0.66 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.70 1uil s ALA 60 Cb -0.15 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 1uil s ALA 60 CO 0.28 -2.03 -0.23 -1.83 0.00 0.00 0.00 175.76 171.95 1uil s GLU 61 N 3.53 2.82 0.00 0.00 -1.05 0.12 -2.04 118.70 122.09 1uil s GLU 61 Ca 0.32 -0.87 0.01 0.00 -0.15 0.00 0.00 54.97 54.29 1uil s GLU 61 Cb -0.12 -2.27 -0.01 0.00 -0.44 0.00 0.00 34.13 31.30 1uil s GLU 61 CO 0.23 0.30 -0.03 1.41 0.95 0.00 0.00 175.26 178.12 1uil s MET 62 N 0.05 0.25 0.01 -4.83 1.75 -0.44 -0.79 119.30 115.30 1uil s MET 62 Ca -0.10 -0.19 0.05 0.00 -1.25 0.00 0.00 55.69 54.20 1uil s MET 62 Cb -0.15 -0.19 -0.01 0.00 2.84 0.00 0.00 34.83 37.31 1uil s MET 62 CO 0.06 0.05 -0.14 0.99 -0.65 0.00 0.00 175.02 175.32 1uil s THR 63 N -0.28 1.13 0.03 10.11 2.01 -1.26 0.13 115.64 127.51 1uil s THR 63 Ca -0.01 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 1uil s THR 63 Cb -0.02 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 1uil s THR 63 CO -0.00 0.22 0.03 0.27 -0.69 0.00 0.00 174.62 174.46 1uil s ILE 64 N -0.49 0.14 -0.04 1.82 -4.36 -0.18 -4.93 121.20 113.15 1uil s ILE 64 Ca 0.04 -1.13 0.06 0.00 -0.26 0.00 0.00 60.65 59.37 1uil s ILE 64 Cb -0.06 -0.75 -0.02 0.00 1.25 0.00 0.00 42.46 42.88 1uil s ILE 64 CO 0.00 -0.62 -0.24 -0.47 0.24 0.00 0.00 174.94 173.85 1uil s TYR 65 N -2.36 2.44 -0.28 1.37 6.14 -1.26 0.05 117.35 123.46 1uil s TYR 65 Ca -0.07 -0.54 -0.04 0.00 0.64 0.00 0.00 57.07 57.05 1uil s TYR 65 Cb -0.03 -1.57 0.02 0.00 0.42 0.00 0.00 41.96 40.80 1uil s TYR 65 CO -0.04 -0.10 0.01 0.42 0.64 0.00 0.00 175.55 176.48 1uil s ILE 66 N -0.39 3.37 0.11 3.14 -1.09 0.29 -4.95 121.20 121.68 1uil s ILE 66 Ca 0.03 -0.92 -0.12 0.00 -2.23 0.00 0.00 60.65 57.41 1uil s ILE 66 Cb -0.12 -2.75 -0.14 0.00 -1.58 0.00 0.00 42.46 37.87 1uil s ILE 66 CO 0.01 0.11 1.32 0.07 -1.23 0.00 0.00 174.94 175.23 1uil h LYS 67 N 8.11 0.81 0.00 2.79 2.10 -1.95 0.61 116.57 129.04 1uil h LYS 67 Ca -0.31 -0.63 0.00 0.00 -2.00 0.00 0.00 60.65 57.71 1uil h LYS 67 Cb 1.11 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1uil h LYS 67 CO 0.58 1.25 0.00 -0.56 -2.00 0.00 0.00 179.45 178.72 1uil h GLN 68 N 0.56 0.00 0.00 0.07 3.07 -1.93 -2.08 115.11 114.80 1uil h GLN 68 Ca -0.04 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.44 1uil h GLN 68 Cb 1.37 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.88 1uil h GLN 68 CO 0.15 0.00 -1.97 1.28 0.09 0.00 0.00 178.83 178.38 1uil n LEU 69 N -2.51 2.46 0.00 0.06 4.77 -1.05 -5.01 117.00 115.72 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 0.05 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1uil n LEU 69 CO 0.13 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 1uil n GLY 70 N 2.59 0.88 1.24 -0.72 0.00 0.21 -5.05 105.19 104.33 1uil n GLY 70 Ca -0.29 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.24 0.32 -3.89 1.61 1.85 -0.82 -4.99 116.66 108.51 1uil n ARG 71 Ca 0.00 -1.29 -0.11 0.00 -1.00 0.00 0.00 57.85 55.46 1uil n ARG 71 Cb 0.00 0.96 -0.11 0.00 -1.05 0.00 0.00 32.46 32.26 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 -2.54 0.37 0.18 2.89 1.70 -1.26 0.11 118.95 120.40 1uil s ARG 72 Ca 0.13 -0.33 0.07 0.00 -0.47 0.00 0.00 55.73 55.14 1uil s ARG 72 Cb 0.01 0.15 -0.04 0.00 -0.57 0.00 0.00 34.95 34.50 1uil s ARG 72 CO 0.09 -0.08 0.02 0.96 -1.08 0.00 0.00 175.30 175.21 1uil s ILE 73 N -1.09 3.79 0.10 4.99 -4.36 0.11 -4.96 121.20 119.78 1uil s ILE 73 Ca -0.12 -1.42 0.04 0.00 -0.26 0.00 0.00 60.65 58.89 1uil s ILE 73 Cb -0.07 -2.92 -0.04 0.00 1.25 0.00 0.00 42.46 40.69 1uil s ILE 73 CO 0.01 -0.13 -0.11 0.12 0.24 0.00 0.00 174.94 175.06 1uil s PHE 74 N -1.78 1.15 0.04 1.37 5.36 -1.26 -1.01 117.98 121.85 1uil s PHE 74 Ca 0.28 -0.63 -0.04 0.00 -0.96 0.00 0.00 56.93 55.59 1uil s PHE 74 Cb -0.09 -0.62 -0.02 0.00 -0.34 0.00 0.00 43.02 41.95 1uil s PHE 74 CO 0.19 0.04 0.05 0.00 -1.46 0.00 0.00 175.22 174.04 1uil s ALA 75 N -2.36 0.07 -0.35 11.12 0.00 0.12 -4.89 121.76 125.46 1uil s ALA 75 Ca 0.06 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.31 1uil s ALA 75 Cb -0.03 0.23 0.19 0.00 0.00 0.00 0.00 23.12 23.51 1uil s ALA 75 CO 0.01 -0.30 0.94 0.50 0.00 0.00 0.00 175.76 176.92 1uil s ARG 76 N -2.60 0.35 0.70 0.00 3.00 -1.26 -1.32 118.95 117.83 1uil s ARG 76 Ca -0.05 -0.14 0.02 0.00 -1.00 0.00 0.00 55.73 54.56 1uil s ARG 76 Cb -0.01 0.04 0.13 0.00 0.00 0.00 0.00 34.95 35.10 1uil s ARG 76 CO -0.05 -0.50 0.97 -1.21 0.00 0.00 0.00 175.30 174.50 1uil s GLU 77 N 1.85 1.73 -0.37 5.12 0.41 -0.86 -4.95 118.70 121.63 1uil s GLU 77 Ca 0.16 -1.35 0.12 0.00 -0.41 0.00 0.00 54.97 53.49 1uil s GLU 77 Cb 0.02 -2.41 0.45 0.00 -1.78 0.00 0.00 34.13 30.41 1uil s GLU 77 CO -0.12 -1.39 1.03 1.58 -0.49 0.00 0.00 175.26 175.87 1uil n HIS 78 N -2.73 2.15 0.00 1.61 -0.00 -1.26 -2.99 115.22 112.00 1uil n HIS 78 Ca 0.16 -2.89 0.00 0.00 0.46 0.00 0.00 57.72 55.46 1uil n HIS 78 Cb 0.61 -0.25 0.00 0.00 -0.12 0.00 0.00 29.99 30.23 1uil n HIS 78 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1uil n GLY 79 N -0.27 -2.67 0.07 1.57 0.00 -1.26 -4.92 105.19 97.71 1uil n GLY 79 Ca 0.22 -0.89 -0.06 0.00 0.00 0.00 0.00 46.02 45.30 1uil n GLY 79 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uil n SER 80 N -1.61 1.50 -4.76 1.61 7.64 -1.26 -4.37 113.62 112.35 1uil n SER 80 Ca 0.00 0.32 -0.23 0.00 1.01 0.00 0.00 58.87 59.98 1uil n SER 80 Cb 0.00 -0.71 -0.06 0.00 -1.01 0.00 0.00 64.21 62.43 1uil n SER 80 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1uil s ASN 81 N -5.44 4.86 0.18 6.43 0.01 -1.26 -3.94 114.94 115.78 1uil s ASN 81 Ca -0.20 -0.68 -0.26 0.00 -0.71 0.00 0.00 52.86 51.01 1uil s ASN 81 Cb 0.03 -0.82 0.05 0.00 0.41 0.00 0.00 41.25 40.92 1uil s ASN 81 CO 0.30 -0.29 1.55 0.11 -1.51 0.00 0.00 177.10 177.26 1uil h LYS 82 N 1.48 -0.11 0.00 -0.60 1.57 -1.96 0.71 116.57 117.66 1uil h LYS 82 Ca -0.44 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1uil h LYS 82 Cb 1.25 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1uil h LYS 82 CO 0.62 -0.07 0.00 1.63 -0.57 0.00 0.00 179.45 181.05 1uil n LYS 83 N -5.38 0.00 0.00 3.15 4.76 -1.26 0.92 118.16 120.35 1uil n LYS 83 Ca 0.04 0.83 0.00 0.00 -2.87 0.00 0.00 58.31 56.31 1uil n LYS 83 Cb 0.34 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 1uil n LYS 83 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1uil n LEU 84 N -2.60 0.00 -0.11 -0.35 7.99 -0.62 0.62 117.00 121.94 1uil n LEU 84 Ca 0.00 0.74 -0.03 0.00 -0.01 0.00 0.00 56.01 56.72 1uil n LEU 84 Cb 0.00 -0.24 -0.03 0.00 -0.11 0.00 0.00 43.42 43.04 1uil n LEU 84 CO 0.00 -0.24 0.39 0.00 -1.51 0.00 0.00 177.39 176.02 1uil n ALA 85 N -1.97 -0.16 -0.30 -1.18 0.00 0.15 -0.04 120.51 117.00 1uil n ALA 85 Ca 0.00 0.22 -0.08 0.00 0.00 0.00 0.00 53.44 53.58 1uil n ALA 85 Cb 0.00 0.23 -0.07 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.99 -0.46 -0.12 0.00 0.00 0.26 -0.63 120.51 116.56 1uil n ALA 86 Ca 0.01 0.62 -0.04 0.00 0.00 0.00 0.00 53.44 54.02 1uil n ALA 86 Cb 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 1uil n ALA 86 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1uil h GLN 87 N 0.00 -0.02 -0.91 0.00 4.20 0.39 0.28 115.11 119.05 1uil h GLN 87 Ca 0.12 0.00 0.17 0.00 0.06 0.00 0.00 58.65 59.00 1uil h GLN 87 Cb 0.30 0.01 -0.17 0.00 0.30 0.00 0.00 27.48 27.92 1uil h GLN 87 CO -0.68 -0.01 -0.27 0.77 -0.67 0.00 0.00 178.83 177.96 1uil h SER 88 N -0.02 -1.00 0.13 1.46 0.02 0.55 0.22 113.55 114.90 1uil h SER 88 Ca 0.05 0.28 0.01 0.00 -0.84 0.00 0.00 61.79 61.28 1uil h SER 88 Cb 0.15 0.61 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 1uil h SER 88 CO -0.29 -0.30 -0.40 0.00 -1.14 0.00 0.00 176.83 174.70 1uil h ALA 90 N -0.83 -0.21 -1.37 0.00 0.00 0.23 0.75 119.26 117.83 1uil h ALA 90 Ca -0.01 0.00 0.44 0.00 0.00 0.00 0.00 54.91 55.34 1uil h ALA 90 Cb 0.59 0.81 -0.12 0.00 0.00 0.00 0.00 17.79 19.07 1uil h ALA 90 CO -0.20 -0.22 0.91 1.25 0.00 0.00 0.00 179.25 180.99 1uil h LEU 91 N -0.01 0.21 0.18 0.00 5.85 -0.60 1.14 115.31 122.09 1uil h LEU 91 Ca 0.00 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1uil h LEU 91 Cb 0.01 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1uil h LEU 91 CO -0.01 -0.15 -0.11 -1.28 -0.34 0.00 0.00 178.44 176.55 1uil h SER 92 N 0.08 -0.26 -0.42 1.25 0.87 0.53 0.20 113.55 115.81 1uil h SER 92 Ca 0.81 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 61.25 1uil h SER 92 Cb 2.65 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 64.68 1uil h SER 92 CO -0.35 -0.18 -0.28 -0.07 -0.53 0.00 0.00 176.83 175.43 1uil h LEU 93 N -0.28 0.99 0.35 2.23 -0.00 0.29 -2.47 115.31 116.42 1uil h LEU 93 Ca -0.02 -0.40 -0.00 0.00 -0.00 0.00 0.00 57.88 57.46 1uil h LEU 93 Cb 0.23 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 40.58 1uil h LEU 93 CO 0.02 1.19 -0.49 0.58 -0.00 0.00 0.00 178.44 179.74 1uil h VAL 94 N 0.80 0.04 -0.11 1.22 2.07 0.26 0.66 116.25 121.19 1uil h VAL 94 Ca 0.09 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.65 1uil h VAL 94 Cb 0.85 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1uil h VAL 94 CO 0.08 0.00 -0.47 0.03 0.02 0.00 0.00 177.57 177.23 1uil h ARG 95 N -0.89 -0.52 -0.65 1.57 3.08 -0.59 0.12 114.38 116.50 1uil h ARG 95 Ca -0.04 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.18 1uil h ARG 95 Cb 0.81 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.89 1uil h ARG 95 CO -0.15 -0.35 0.16 1.96 -1.07 0.00 0.00 179.97 180.53 1uil h GLN 96 N -0.54 0.28 -0.11 0.04 7.50 -1.16 0.18 115.11 121.30 1uil h GLN 96 Ca 0.06 -0.02 0.04 0.00 0.50 0.00 0.00 58.65 59.23 1uil h GLN 96 Cb 0.66 -0.06 -0.05 0.00 0.05 0.00 0.00 27.48 28.07 1uil h GLN 96 CO -0.40 0.19 -0.21 -0.07 -1.50 0.00 0.00 178.83 176.84 1uil h LEU 97 N 0.29 -0.63 0.70 1.46 3.38 0.17 0.26 115.31 120.94 1uil h LEU 97 Ca 0.35 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.40 1uil h LEU 97 Cb 0.54 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1uil h LEU 97 CO -0.43 -0.26 -0.49 0.22 0.09 0.00 0.00 178.44 177.58 1uil h TYR 98 N -0.27 -1.32 -0.35 1.13 3.20 0.68 0.75 116.97 120.80 1uil h TYR 98 Ca 0.09 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.00 1uil h TYR 98 Cb 0.41 0.48 -0.08 0.00 1.54 0.00 0.00 36.73 39.08 1uil h TYR 98 CO -0.30 -0.71 -0.54 1.12 -1.64 0.00 0.00 178.16 176.09 1uil h HIS 99 N -1.13 -1.66 -0.63 -3.82 2.07 -0.47 0.99 115.15 110.50 1uil h HIS 99 Ca -0.09 0.08 0.13 0.00 -2.85 0.00 0.00 60.37 57.64 1uil h HIS 99 Cb 0.93 0.77 -0.10 0.00 2.57 0.00 0.00 27.41 31.57 1uil h HIS 99 CO -0.15 -0.49 0.05 -0.07 -3.07 0.00 0.00 177.93 174.20 1uil h LEU 100 N -0.42 -0.18 0.00 6.12 3.38 -0.39 -3.46 115.31 120.37 1uil h LEU 100 Ca 0.06 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1uil h LEU 100 Cb 0.60 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1uil h LEU 100 CO -0.55 -0.08 0.00 0.61 0.09 0.00 0.00 178.44 178.51 1uil n GLY 101 N -1.35 0.94 0.28 0.83 0.00 0.91 -5.07 105.19 101.73 1uil n GLY 101 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 0.60 -3.46 1.61 0.31 0.23 -4.99 118.33 112.63 1uil n VAL 102 Ca 0.00 -0.20 -0.10 0.00 -0.01 0.00 0.00 64.34 64.03 1uil n VAL 102 Cb 0.00 -1.17 0.01 0.00 -0.91 0.00 0.00 33.84 31.77 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 -3.07 0.00 -3.91 2.52 -5.35 -1.22 -4.95 119.36 103.38 1uil n ILE 103 Ca -0.20 -0.87 -0.11 0.00 -0.27 0.00 0.00 62.75 61.31 1uil n ILE 103 Cb 0.68 -0.46 -0.11 0.00 -1.74 0.00 0.00 39.64 38.01 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 -2.97 0.31 -0.03 6.28 -1.05 -1.26 -4.60 118.70 115.36 1uil s GLU 104 Ca 0.17 -0.34 -0.40 0.00 -0.15 0.00 0.00 54.97 54.25 1uil s GLU 104 Cb -0.01 0.12 -0.20 0.00 -0.44 0.00 0.00 34.13 33.60 1uil s GLU 104 CO 0.10 -0.06 1.09 0.00 0.95 0.00 0.00 175.26 177.34 1uil n ALA 105 N 1.95 -3.46 -0.57 -0.84 0.00 -1.26 -4.85 120.51 111.48 1uil n ALA 105 Ca -0.20 0.58 -0.16 0.00 0.00 0.00 0.00 53.44 53.66 1uil n ALA 105 Cb 0.56 -1.74 0.12 0.00 0.00 0.00 0.00 19.45 18.39 1uil n ALA 105 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1uil n TYR 106 N 1.63 -2.17 -2.60 0.00 9.36 -1.26 -4.91 117.16 117.21 1uil n TYR 106 Ca 0.20 0.11 0.01 0.00 3.32 0.00 0.00 57.90 61.55 1uil n TYR 106 Cb 0.07 -1.38 0.04 0.00 -0.63 0.00 0.00 39.34 37.44 1uil n TYR 106 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1uil n SER 107 N -0.49 1.42 0.07 2.98 2.88 -1.26 -4.69 113.62 114.52 1uil n SER 107 Ca 0.05 -2.14 -0.14 0.00 -1.33 0.00 0.00 58.87 55.30 1uil n SER 107 Cb 0.31 -0.39 -0.08 0.00 -0.75 0.00 0.00 64.21 63.30 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 1.76 -1.38 0.00 -3.46 0.87 -1.93 -3.48 113.55 105.92 1uil h SER 108 Ca -0.16 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1uil h SER 108 Cb 1.57 0.53 0.00 0.00 -0.44 0.00 0.00 62.40 64.06 1uil h SER 108 CO 0.15 -0.49 0.00 0.61 -0.53 0.00 0.00 176.83 176.58 1uil n GLY 109 N -1.46 0.18 3.66 5.77 0.00 -1.26 -4.99 105.19 107.09 1uil n GLY 109 Ca -0.06 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 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 0.00 4.25 -0.26 1.61 0.04 -1.26 -4.99 135.00 134.40 1uil s PRO 110 Ca 0.00 1.68 -0.26 0.00 0.04 0.00 0.00 61.00 62.46 1uil s PRO 110 Cb 0.00 -3.74 0.09 0.00 0.04 0.00 0.00 34.50 30.89 1uil s PRO 110 CO 0.00 -0.67 0.84 -1.54 0.04 0.00 0.00 177.00 175.67 1uil s SER 111 N 1.94 -0.62 -0.13 6.66 1.04 -1.26 -5.08 113.70 116.25 1uil s SER 111 Ca 0.55 1.15 -0.07 0.00 0.48 0.00 0.00 55.95 58.06 1uil s SER 111 Cb -0.22 1.15 -0.04 0.00 0.10 0.00 0.00 66.02 67.00 1uil s SER 111 CO 0.16 -0.24 -0.03 0.77 0.98 0.00 0.00 173.24 174.88 1uil h SER 112 N 4.48 0.00 0.00 7.02 4.64 -2.06 -3.55 113.55 124.08 1uil h SER 112 Ca -0.28 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1uil h SER 112 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1uil h SER 112 CO 0.10 0.72 0.00 0.61 -0.87 0.00 0.00 176.83 177.39