#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 -4.39 -4.16 1.61 7.64 -1.26 -5.06 113.62 108.00 1uil n SER 2 Ca 0.00 1.55 -0.10 0.00 1.01 0.00 0.00 58.87 61.33 1uil n SER 2 Cb 0.00 -5.01 -0.10 0.00 -1.01 0.00 0.00 64.21 58.09 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 -0.59 0.59 0.00 6.43 0.15 -1.26 -5.12 113.70 113.90 1uil s SER 3 Ca -0.15 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 55.35 1uil s SER 3 Cb 0.01 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1uil s SER 3 CO 0.42 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1uil n GLY 4 N -0.08 -1.35 3.28 9.45 0.00 -1.26 -5.15 105.19 110.07 1uil n GLY 4 Ca -0.08 0.86 -0.33 0.00 0.00 0.00 0.00 46.02 46.46 1uil n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uil s SER 5 N 0.00 3.77 -0.10 1.61 0.01 -1.26 -5.10 113.70 112.62 1uil s SER 5 Ca 0.00 -0.45 -0.16 0.00 1.31 0.00 0.00 55.95 56.65 1uil s SER 5 Cb 0.00 -1.59 -0.05 0.00 0.21 0.00 0.00 66.02 64.59 1uil s SER 5 CO 0.00 0.08 0.40 -0.94 0.41 0.00 0.00 173.24 173.19 1uil s SER 6 N 0.87 6.63 0.00 2.44 1.04 -1.26 -4.87 113.70 118.56 1uil s SER 6 Ca -0.04 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.14 1uil s SER 6 Cb -0.15 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1uil s SER 6 CO -0.01 0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1uil n GLY 7 N 2.95 -1.78 3.17 7.32 0.00 -1.26 -5.02 105.19 110.57 1uil n GLY 7 Ca -0.10 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 1uil n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1uil s LEU 8 N -0.39 3.28 -0.38 0.99 2.34 -1.26 -4.97 118.68 118.29 1uil s LEU 8 Ca 0.00 -1.00 0.12 0.00 0.06 0.00 0.00 54.13 53.32 1uil s LEU 8 Cb 0.00 -1.64 0.39 0.00 -0.56 0.00 0.00 46.19 44.37 1uil s LEU 8 CO 0.00 -0.15 0.98 -1.84 -1.06 0.00 0.00 176.35 174.28 1uil n GLU 9 N 4.63 1.07 -1.56 1.48 0.28 -1.26 -5.05 120.64 120.22 1uil n GLU 9 Ca -0.16 -2.81 -0.13 0.00 -0.16 0.00 0.00 57.16 53.90 1uil n GLU 9 Cb 0.46 -1.16 -0.09 0.00 1.43 0.00 0.00 31.44 32.08 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 0.04 1.55 -3.84 -1.84 7.64 -1.26 -4.83 113.62 111.08 1uil n SER 10 Ca 0.12 -1.89 -0.18 0.00 1.01 0.00 0.00 58.87 57.93 1uil n SER 10 Cb 0.75 -1.68 -0.16 0.00 -1.01 0.00 0.00 64.21 62.11 1uil n SER 10 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1uil s GLU 11 N 8.74 0.41 -0.25 1.43 -1.05 -1.26 -5.03 118.70 121.70 1uil s GLU 11 Ca 0.88 0.03 -0.03 0.00 -0.15 0.00 0.00 54.97 55.71 1uil s GLU 11 Cb -0.10 -0.55 0.05 0.00 -0.44 0.00 0.00 34.13 33.08 1uil s GLU 11 CO 0.13 -0.12 2.51 0.39 0.95 0.00 0.00 175.26 179.12 1uil n GLU 12 N 4.10 1.89 -4.25 -4.83 1.02 -1.26 -4.84 120.64 112.47 1uil n GLU 12 Ca -0.26 -1.45 -0.14 0.00 -0.02 0.00 0.00 57.16 55.29 1uil n GLU 12 Cb 0.50 -1.74 -0.10 0.00 -0.02 0.00 0.00 31.44 30.09 1uil n GLU 12 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1uil s VAL 13 N -1.36 0.84 -0.35 2.62 0.11 -1.26 -5.12 120.40 115.87 1uil s VAL 13 Ca 0.40 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.45 1uil s VAL 13 Cb 0.26 -2.04 0.14 0.00 -1.53 0.00 0.00 36.38 33.21 1uil s VAL 13 CO -0.07 -0.56 0.21 -1.81 -3.33 0.00 0.00 175.10 169.54 1uil s ASP 14 N -3.18 3.00 0.34 3.54 1.01 -1.26 -5.09 116.67 115.02 1uil s ASP 14 Ca 0.21 -2.19 0.00 0.00 0.71 0.00 0.00 52.55 51.29 1uil s ASP 14 Cb 0.05 -0.42 0.00 0.00 1.01 0.00 0.00 42.92 43.56 1uil s ASP 14 CO 0.03 -0.31 0.00 0.18 0.21 0.00 0.00 175.17 175.28 1uil n LEU 15 N 4.04 0.00 0.16 1.23 7.99 -1.26 -1.85 117.00 127.31 1uil n LEU 15 Ca 0.12 0.00 0.01 0.00 -0.01 0.00 0.00 56.01 56.12 1uil n LEU 15 Cb 0.37 0.00 0.25 0.00 -0.11 0.00 0.00 43.42 43.93 1uil n LEU 15 CO 0.14 -0.48 0.58 -0.55 -1.51 0.00 0.00 177.39 175.58 1uil h ASN 16 N 0.00 0.00 -0.97 -1.43 7.08 -2.01 -3.23 115.58 115.03 1uil h ASN 16 Ca 0.00 0.00 0.10 0.00 -3.08 0.00 0.00 56.30 53.32 1uil h ASN 16 Cb 0.00 0.00 -0.12 0.00 -2.08 0.00 0.00 38.32 36.12 1uil h ASN 16 CO 0.00 0.52 -0.56 0.00 -2.08 0.00 0.00 177.43 175.31 1uil h ALA 17 N 1.48 -0.45 -0.93 4.14 0.00 -1.99 0.17 119.26 121.69 1uil h ALA 17 Ca -0.01 0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.14 1uil h ALA 17 Cb 0.95 1.31 -0.12 0.00 0.00 0.00 0.00 17.79 19.92 1uil h ALA 17 CO 0.07 -0.92 -0.55 0.78 0.00 0.00 0.00 179.25 178.63 1uil h GLY 18 N -0.02 -0.68 0.16 0.00 0.00 -1.38 0.18 103.07 101.33 1uil h GLY 18 Ca 0.18 0.73 0.01 0.00 0.00 0.00 0.00 47.33 48.26 1uil h GLY 18 CO -0.93 -0.02 -0.52 1.41 0.00 0.00 0.00 176.54 176.49 1uil h LEU 19 N -0.05 -1.55 -0.09 3.11 3.38 -0.94 -2.88 115.31 116.30 1uil h LEU 19 Ca 0.19 0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.33 1uil h LEU 19 Cb 0.47 0.57 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1uil h LEU 19 CO -0.91 -0.56 -0.06 0.45 0.09 0.00 0.00 178.44 177.45 1uil h HIS 20 N -0.76 -0.20 0.00 1.13 3.86 0.94 -3.47 115.15 116.66 1uil h HIS 20 Ca -0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1uil h HIS 20 Cb 0.76 0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.33 1uil h HIS 20 CO -0.44 -0.04 0.00 0.41 0.86 0.00 0.00 177.93 178.72 1uil n GLY 21 N -1.03 1.99 2.67 2.45 0.00 0.43 -5.00 105.19 106.70 1uil n GLY 21 Ca 0.00 0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 6.58 -4.67 1.61 4.13 -1.26 -4.93 115.26 116.72 1uil n ASN 22 Ca 0.00 -3.13 -0.35 0.00 1.68 0.00 0.00 54.58 52.79 1uil n ASN 22 Cb 0.00 -1.42 -0.09 0.00 -1.54 0.00 0.00 39.78 36.73 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 -0.40 3.24 0.05 3.10 0.23 -1.26 -4.13 118.94 119.77 1uil s TRP 23 Ca 0.47 0.13 0.06 0.00 -2.03 0.00 0.00 56.10 54.73 1uil s TRP 23 Cb 0.14 -1.95 -0.02 0.00 0.03 0.00 0.00 33.47 31.67 1uil s TRP 23 CO -0.04 0.32 -0.17 0.95 0.96 0.00 0.00 176.95 178.97 1uil s THR 24 N -0.25 1.32 0.18 2.01 -4.23 -1.26 -4.99 115.64 108.42 1uil s THR 24 Ca 0.07 -1.13 -0.14 0.00 -1.18 0.00 0.00 61.69 59.31 1uil s THR 24 Cb -0.12 -1.19 0.12 0.00 1.34 0.00 0.00 72.50 72.66 1uil s THR 24 CO 0.02 0.03 1.68 -0.07 -0.54 0.00 0.00 174.62 175.74 1uil h LEU 25 N 4.77 -0.23 0.97 4.79 3.38 -1.98 1.06 115.31 128.07 1uil h LEU 25 Ca -0.40 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1uil h LEU 25 Cb 1.18 0.21 0.01 0.00 0.09 0.00 0.00 40.66 42.15 1uil h LEU 25 CO 0.43 -0.08 -0.48 -0.33 0.09 0.00 0.00 178.44 178.07 1uil h GLU 26 N 0.10 -1.28 0.13 1.13 4.39 -1.96 -1.80 114.58 115.30 1uil h GLU 26 Ca 0.24 0.09 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1uil h GLU 26 Cb 0.36 0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 1uil h GLU 26 CO -0.41 -0.85 -0.31 -0.97 -1.16 0.00 0.00 179.01 175.31 1uil h ASN 27 N -1.32 -0.91 -0.70 1.42 -0.73 -1.86 -1.60 115.58 109.86 1uil h ASN 27 Ca -0.13 0.09 0.13 0.00 1.87 0.00 0.00 56.30 58.26 1uil h ASN 27 Cb 1.02 0.33 -0.13 0.00 0.27 0.00 0.00 38.32 39.81 1uil h ASN 27 CO 0.21 -0.35 -0.21 0.00 -0.37 0.00 0.00 177.43 176.71 1uil n ALA 28 N -2.69 0.09 -0.03 1.57 0.00 0.36 0.22 120.51 120.02 1uil n ALA 28 Ca -0.06 0.75 -0.11 0.00 0.00 0.00 0.00 53.44 54.03 1uil n ALA 28 Cb 0.25 -0.42 -0.05 0.00 0.00 0.00 0.00 19.45 19.23 1uil n ALA 28 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1uil h LYS 29 N 0.00 -0.40 0.82 0.00 1.79 -0.39 0.62 116.57 119.01 1uil h LYS 29 Ca 0.31 0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.77 1uil h LYS 29 Cb 0.49 0.09 0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1uil h LYS 29 CO -0.72 -0.27 -0.39 0.00 -1.08 0.00 0.00 179.45 176.99 1uil h ALA 30 N 0.32 -1.10 -0.98 3.86 0.00 0.31 -2.63 119.26 119.04 1uil h ALA 30 Ca 0.10 -0.25 0.21 0.00 0.00 0.00 0.00 54.91 54.98 1uil h ALA 30 Cb 0.59 0.43 -0.19 0.00 0.00 0.00 0.00 17.79 18.62 1uil h ALA 30 CO -0.43 -1.05 -0.20 -2.13 0.00 0.00 0.00 179.25 175.45 1uil n ARG 31 N -5.52 -0.09 0.12 0.00 3.00 0.30 0.30 116.66 114.77 1uil n ARG 31 Ca -0.14 1.51 -0.15 0.00 -0.00 0.00 0.00 57.85 59.07 1uil n ARG 31 Cb 0.44 -2.29 -0.09 0.00 0.00 0.00 0.00 32.46 30.53 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 -1.42 -1.62 6.15 5.85 0.38 0.42 115.31 125.08 1uil h LEU 32 Ca 0.49 0.15 0.20 0.00 0.84 0.00 0.00 57.88 59.56 1uil h LEU 32 Cb 0.81 0.53 -0.06 0.00 0.37 0.00 0.00 40.66 42.31 1uil h LEU 32 CO -0.99 -0.53 0.57 0.78 -0.34 0.00 0.00 178.44 177.93 1uil h ASN 33 N -0.71 0.33 0.05 1.25 4.21 0.22 0.15 115.58 121.07 1uil h ASN 33 Ca 0.01 0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.55 1uil h ASN 33 Cb 0.73 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.90 1uil h ASN 33 CO -0.27 0.14 -0.02 1.56 -1.29 0.00 0.00 177.43 177.55 1uil h GLN 34 N 0.33 -0.06 -0.59 0.81 1.08 0.23 -0.74 115.11 116.17 1uil h GLN 34 Ca 0.43 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.81 1uil h GLN 34 Cb 1.16 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.58 1uil h GLN 34 CO -0.13 0.24 0.43 -0.92 -0.95 0.00 0.00 178.83 177.50 1uil h TYR 35 N -0.36 0.00 0.00 2.96 3.20 0.17 0.51 116.97 123.45 1uil h TYR 35 Ca -0.01 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.68 1uil h TYR 35 Cb 0.33 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 1uil h TYR 35 CO 0.03 0.00 -1.01 0.74 -1.64 0.00 0.00 178.16 176.27 1uil h PHE 36 N 0.00 0.00 0.13 -3.82 0.04 -1.04 -2.42 116.94 109.83 1uil h PHE 36 Ca 0.28 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.77 1uil h PHE 36 Cb 1.14 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.31 1uil h PHE 36 CO 0.00 0.79 -1.24 1.96 -0.60 0.00 0.00 178.31 179.22 1uil h GLN 37 N 0.00 0.40 0.39 1.51 4.20 0.11 0.90 115.11 122.63 1uil h GLN 37 Ca -0.07 -0.60 -0.02 0.00 0.06 0.00 0.00 58.65 58.01 1uil h GLN 37 Cb 1.66 0.21 0.00 0.00 0.30 0.00 0.00 27.48 29.66 1uil h GLN 37 CO 0.09 1.27 -0.19 0.87 -0.67 0.00 0.00 178.83 180.20 1uil h LYS 38 N 0.15 -0.51 0.00 1.46 1.79 -0.29 -3.16 116.57 116.00 1uil h LYS 38 Ca -0.16 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1uil h LYS 38 Cb 1.93 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 32.70 1uil h LYS 38 CO 0.22 -0.34 0.00 0.93 -1.08 0.00 0.00 179.45 179.18 1uil h GLU 39 N -1.09 0.00 -0.48 3.15 4.39 -1.58 -3.45 114.58 115.52 1uil h GLU 39 Ca -0.05 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.53 1uil h GLU 39 Cb 0.41 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 1uil h GLU 39 CO 0.09 0.00 -0.12 1.63 -1.16 0.00 0.00 179.01 179.45 1uil n LYS 40 N -2.36 -0.43 -1.98 2.33 5.02 -0.12 -5.02 118.16 115.60 1uil n LYS 40 Ca 0.01 0.55 -0.29 0.00 -2.02 0.00 0.00 58.31 56.55 1uil n LYS 40 Cb 0.16 -4.33 0.04 0.00 -0.02 0.00 0.00 35.03 30.89 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 -2.24 3.54 -0.07 -0.18 1.01 0.29 -4.94 121.20 118.61 1uil s ILE 41 Ca 0.00 0.40 0.02 0.00 0.00 0.00 0.00 60.65 61.07 1uil s ILE 41 Cb 0.00 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 39.00 1uil s ILE 41 CO 0.00 -0.61 -0.13 -1.10 0.00 0.00 0.00 174.94 173.11 1uil s GLN 42 N -5.29 1.74 -0.28 2.79 -0.21 -1.26 -4.45 119.66 112.69 1uil s GLN 42 Ca 0.57 -0.43 -0.20 0.00 0.02 0.00 0.00 55.36 55.32 1uil s GLN 42 Cb -0.11 -1.43 0.12 0.00 1.00 0.00 0.00 33.01 32.59 1uil s GLN 42 CO 0.51 0.03 0.93 0.20 -2.12 0.00 0.00 175.29 174.84 1uil s GLY 43 N 0.65 -0.21 0.07 3.09 0.00 -1.26 -5.07 107.32 104.59 1uil s GLY 43 Ca -0.15 2.76 0.00 0.00 0.00 0.00 0.00 44.72 47.34 1uil s GLY 43 CO 0.04 2.22 0.00 1.18 0.00 0.00 0.00 173.10 176.54 1uil n GLU 44 N 3.18 1.69 -4.85 2.90 -0.58 -1.26 -5.05 120.64 116.68 1uil n GLU 44 Ca -0.16 -0.51 -0.33 0.00 -0.42 0.00 0.00 57.16 55.74 1uil n GLU 44 Cb 0.57 0.16 -0.13 0.00 -0.57 0.00 0.00 31.44 31.47 1uil n GLU 44 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1uil s TYR 45 N -1.33 2.74 -0.44 -0.32 1.51 -1.26 -4.64 117.35 113.61 1uil s TYR 45 Ca 0.00 -0.21 -0.13 0.00 -1.01 0.00 0.00 57.07 55.73 1uil s TYR 45 Cb 0.00 -1.67 0.07 0.00 -0.11 0.00 0.00 41.96 40.25 1uil s TYR 45 CO 0.00 0.14 0.32 0.21 -1.11 0.00 0.00 175.55 175.12 1uil s LYS 46 N -0.58 2.81 -0.25 -0.62 2.47 0.18 -4.90 119.74 118.85 1uil s LYS 46 Ca 0.08 -1.38 -0.19 0.00 -1.56 0.00 0.00 55.97 52.92 1uil s LYS 46 Cb -0.11 -3.96 -0.02 0.00 -1.46 0.00 0.00 37.83 32.28 1uil s LYS 46 CO 0.01 -0.97 0.58 0.71 0.16 0.00 0.00 175.35 175.84 1uil s TYR 47 N 1.54 3.28 -0.30 4.03 2.02 -1.25 0.27 117.35 126.95 1uil s TYR 47 Ca 0.03 0.75 -0.03 0.00 -0.37 0.00 0.00 57.07 57.45 1uil s TYR 47 Cb -0.23 -2.78 0.04 0.00 -0.40 0.00 0.00 41.96 38.59 1uil s TYR 47 CO 0.05 -0.29 0.03 0.99 -1.57 0.00 0.00 175.55 174.75 1uil s THR 48 N 2.35 3.27 -0.08 -0.71 2.01 0.26 -4.81 115.64 117.94 1uil s THR 48 Ca 0.24 -1.20 -0.30 0.00 0.31 0.00 0.00 61.69 60.74 1uil s THR 48 Cb -0.16 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 1uil s THR 48 CO 0.09 -0.06 1.04 -1.58 -0.69 0.00 0.00 174.62 173.41 1uil s GLN 49 N 1.33 4.43 0.32 4.92 0.74 -1.26 0.19 119.66 130.34 1uil s GLN 49 Ca -0.03 1.45 0.03 0.00 0.05 0.00 0.00 55.36 56.86 1uil s GLN 49 Cb -0.19 -3.53 -0.05 0.00 1.10 0.00 0.00 33.01 30.35 1uil s GLN 49 CO -0.00 -0.29 0.10 0.14 -0.55 0.00 0.00 175.29 174.68 1uil s VAL 50 N 1.85 0.78 0.22 1.34 -7.23 -0.33 -4.96 120.40 112.08 1uil s VAL 50 Ca 0.50 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1uil s VAL 50 Cb -0.20 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1uil s VAL 50 CO 0.20 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.60 1uil n GLY 51 N -0.67 -1.79 3.82 2.32 0.00 -1.26 -1.84 105.19 105.77 1uil n GLY 51 Ca -0.02 -1.31 -0.31 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 -1.94 2.79 0.10 1.61 0.04 -1.14 -4.70 135.00 131.76 1uil s PRO 52 Ca 0.00 0.90 -0.25 0.00 0.04 0.00 0.00 61.00 61.69 1uil s PRO 52 Cb 0.00 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 1uil s PRO 52 CO 0.00 -1.19 1.69 0.22 0.04 0.00 0.00 177.00 177.76 1uil h ASP 53 N -0.78 -0.36 -1.17 6.66 1.82 -1.97 0.32 116.42 120.93 1uil h ASP 53 Ca -0.44 0.04 0.36 0.00 -0.39 0.00 0.00 57.03 56.60 1uil h ASP 53 Cb 1.22 0.14 -0.12 0.00 0.68 0.00 0.00 39.33 41.25 1uil h ASP 53 CO 0.57 -0.20 0.74 1.12 -1.61 0.00 0.00 179.24 179.87 1uil h HIS 54 N -0.27 0.62 -1.95 0.28 2.07 -2.00 -3.17 115.15 110.73 1uil h HIS 54 Ca 0.02 0.02 -0.40 0.00 -2.85 0.00 0.00 60.37 57.16 1uil h HIS 54 Cb 0.28 -0.17 -0.31 0.00 2.57 0.00 0.00 27.41 29.78 1uil h HIS 54 CO -0.15 -0.11 -0.74 1.21 -3.07 0.00 0.00 177.93 175.08 1uil s ASN 55 N -4.83 0.99 0.34 3.10 3.84 -0.40 -5.14 114.94 112.84 1uil s ASN 55 Ca -0.08 -1.98 0.09 0.00 0.21 0.00 0.00 52.86 51.10 1uil s ASN 55 Cb 0.28 0.46 -0.06 0.00 -0.55 0.00 0.00 41.25 41.38 1uil s ASN 55 CO 0.81 -0.21 -0.04 0.00 -2.79 0.00 0.00 177.10 174.87 1uil s ARG 56 N 1.02 1.96 -0.08 0.43 1.70 0.98 -2.88 118.95 122.08 1uil s ARG 56 Ca 0.22 -1.84 -0.04 0.00 -0.47 0.00 0.00 55.73 53.60 1uil s ARG 56 Cb -0.10 -1.82 0.04 0.00 -0.57 0.00 0.00 34.95 32.50 1uil s ARG 56 CO -0.06 0.13 0.19 -1.12 -1.08 0.00 0.00 175.30 173.36 1uil s SER 57 N -3.67 -0.17 -0.54 -2.89 0.01 -0.76 -4.96 113.70 100.71 1uil s SER 57 Ca 0.34 0.39 -0.22 0.00 1.31 0.00 0.00 55.95 57.77 1uil s SER 57 Cb 0.01 0.28 0.05 0.00 0.21 0.00 0.00 66.02 66.58 1uil s SER 57 CO 0.18 -0.15 0.81 -0.36 0.41 0.00 0.00 173.24 174.13 1uil s PHE 58 N 1.17 2.89 -0.50 2.43 0.08 -1.26 -1.18 117.98 121.62 1uil s PHE 58 Ca -0.09 -0.29 -0.28 0.00 0.12 0.00 0.00 56.93 56.39 1uil s PHE 58 Cb -0.11 -3.88 -0.00 0.00 -0.57 0.00 0.00 43.02 38.46 1uil s PHE 58 CO -0.07 -1.25 1.61 0.42 -0.10 0.00 0.00 175.22 175.84 1uil s ILE 59 N 3.40 3.62 -0.46 0.64 1.01 0.52 -4.23 121.20 125.70 1uil s ILE 59 Ca 0.23 0.55 -0.22 0.00 0.00 0.00 0.00 60.65 61.20 1uil s ILE 59 Cb -0.16 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.24 1uil s ILE 59 CO 0.15 -0.87 0.75 0.00 0.00 0.00 0.00 174.94 174.97 1uil s ALA 60 N 6.90 3.30 -0.05 9.38 0.00 -0.87 0.91 121.76 141.34 1uil s ALA 60 Ca 0.64 -1.10 0.07 0.00 0.00 0.00 0.00 51.96 51.56 1uil s ALA 60 Cb -0.14 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1uil s ALA 60 CO 0.27 -1.92 -0.25 -1.83 0.00 0.00 0.00 175.76 172.02 1uil s GLU 61 N 3.18 2.40 -0.03 0.00 -1.05 0.14 -2.10 118.70 121.26 1uil s GLU 61 Ca 0.27 -0.91 -0.02 0.00 -0.15 0.00 0.00 54.97 54.17 1uil s GLU 61 Cb -0.13 -2.13 0.01 0.00 -0.44 0.00 0.00 34.13 31.45 1uil s GLU 61 CO 0.21 0.44 0.06 1.41 0.95 0.00 0.00 175.26 178.34 1uil s MET 62 N -0.32 0.05 0.01 -4.83 1.75 -0.32 0.48 119.30 116.12 1uil s MET 62 Ca 0.01 0.13 0.06 0.00 -1.25 0.00 0.00 55.69 54.64 1uil s MET 62 Cb -0.12 -0.04 -0.02 0.00 2.84 0.00 0.00 34.83 37.48 1uil s MET 62 CO 0.02 -0.05 -0.18 0.99 -0.65 0.00 0.00 175.02 175.15 1uil s THR 63 N 0.34 1.40 0.04 10.11 2.01 -1.26 -0.35 115.64 127.93 1uil s THR 63 Ca -0.03 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.07 1uil s THR 63 Cb -0.04 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 1uil s THR 63 CO -0.01 0.27 -0.04 0.27 -0.69 0.00 0.00 174.62 174.41 1uil s ILE 64 N -0.59 0.28 -0.06 1.82 -4.36 0.04 -4.91 121.20 113.43 1uil s ILE 64 Ca 0.06 -1.37 0.06 0.00 -0.26 0.00 0.00 60.65 59.13 1uil s ILE 64 Cb -0.07 -0.92 -0.01 0.00 1.25 0.00 0.00 42.46 42.70 1uil s ILE 64 CO 0.00 -0.70 -0.23 -0.47 0.24 0.00 0.00 174.94 173.79 1uil s TYR 65 N -2.57 2.49 -0.25 1.37 6.14 -1.26 0.35 117.35 123.62 1uil s TYR 65 Ca -0.04 -0.58 -0.05 0.00 0.64 0.00 0.00 57.07 57.04 1uil s TYR 65 Cb -0.02 -1.61 -0.00 0.00 0.42 0.00 0.00 41.96 40.75 1uil s TYR 65 CO -0.04 -0.12 0.00 0.42 0.64 0.00 0.00 175.55 176.45 1uil s ILE 66 N -0.29 3.59 0.09 3.14 -1.09 0.28 -4.95 121.20 121.98 1uil s ILE 66 Ca 0.00 -0.58 -0.11 0.00 -2.23 0.00 0.00 60.65 57.74 1uil s ILE 66 Cb -0.13 -2.73 -0.23 0.00 -1.58 0.00 0.00 42.46 37.79 1uil s ILE 66 CO 0.03 0.29 1.21 0.07 -1.23 0.00 0.00 174.94 175.30 1uil h LYS 67 N 8.15 0.61 0.00 2.79 2.10 -1.94 0.31 116.57 128.58 1uil h LYS 67 Ca -0.37 -0.68 0.00 0.00 -2.00 0.00 0.00 60.65 57.60 1uil h LYS 67 Cb 1.15 0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 1uil h LYS 67 CO 0.60 1.27 0.00 -0.56 -2.00 0.00 0.00 179.45 178.76 1uil h GLN 68 N 0.33 0.00 0.00 0.07 3.07 -1.93 -1.80 115.11 114.85 1uil h GLN 68 Ca -0.12 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.33 1uil h GLN 68 Cb 1.70 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 29.21 1uil h GLN 68 CO 0.20 0.00 -2.06 1.28 0.09 0.00 0.00 178.83 178.34 1uil n LEU 69 N -2.76 0.55 0.00 0.06 4.77 -1.13 -5.00 117.00 113.49 1uil n LEU 69 Ca -0.02 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1uil n LEU 69 Cb 0.10 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1uil n LEU 69 CO 0.17 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1uil n GLY 70 N 2.15 0.74 1.03 -0.72 0.00 0.10 -5.03 105.19 103.47 1uil n GLY 70 Ca -0.27 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.39 0.51 -3.92 1.61 1.85 -0.74 -4.98 116.66 108.60 1uil n ARG 71 Ca 0.00 -1.07 -0.10 0.00 -1.00 0.00 0.00 57.85 55.68 1uil n ARG 71 Cb 0.00 0.71 -0.10 0.00 -1.05 0.00 0.00 32.46 32.02 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 -2.46 0.46 0.20 2.89 1.70 -1.26 0.10 118.95 120.58 1uil s ARG 72 Ca 0.09 -0.55 0.09 0.00 -0.47 0.00 0.00 55.73 54.89 1uil s ARG 72 Cb 0.00 0.18 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 1uil s ARG 72 CO 0.06 -0.11 -0.05 0.96 -1.08 0.00 0.00 175.30 175.09 1uil s ILE 73 N -1.73 3.36 0.08 4.99 -4.36 0.15 -4.95 121.20 118.75 1uil s ILE 73 Ca -0.13 -1.68 0.03 0.00 -0.26 0.00 0.00 60.65 58.62 1uil s ILE 73 Cb -0.07 -2.71 -0.03 0.00 1.25 0.00 0.00 42.46 40.90 1uil s ILE 73 CO -0.01 -0.18 -0.10 0.12 0.24 0.00 0.00 174.94 175.02 1uil s PHE 74 N -1.88 0.98 0.02 1.37 2.19 -1.26 -0.78 117.98 118.61 1uil s PHE 74 Ca 0.27 -0.64 -0.05 0.00 0.33 0.00 0.00 56.93 56.83 1uil s PHE 74 Cb -0.08 -0.55 -0.01 0.00 -1.31 0.00 0.00 43.02 41.07 1uil s PHE 74 CO 0.17 -0.03 0.10 0.00 1.83 0.00 0.00 175.22 177.29 1uil s ALA 75 N -2.31 -0.16 -0.35 11.12 0.00 0.52 -4.88 121.76 125.70 1uil s ALA 75 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1uil s ALA 75 Cb -0.04 0.17 0.19 0.00 0.00 0.00 0.00 23.12 23.44 1uil s ALA 75 CO -0.00 -0.24 0.79 0.50 0.00 0.00 0.00 175.76 176.81 1uil s ARG 76 N -1.84 0.52 0.41 0.00 3.52 -1.26 -1.17 118.95 119.12 1uil s ARG 76 Ca -0.11 -0.04 0.08 0.00 -0.13 0.00 0.00 55.73 55.53 1uil s ARG 76 Cb -0.06 0.09 -0.01 0.00 -1.56 0.00 0.00 34.95 33.42 1uil s ARG 76 CO -0.01 -0.79 0.47 -1.21 -0.81 0.00 0.00 175.30 172.95 1uil s GLU 77 N 2.15 2.73 -0.55 5.12 0.41 -0.89 -4.95 118.70 122.72 1uil s GLU 77 Ca 0.16 -1.34 0.06 0.00 -0.41 0.00 0.00 54.97 53.44 1uil s GLU 77 Cb -0.03 -2.60 0.33 0.00 -1.78 0.00 0.00 34.13 30.06 1uil s GLU 77 CO -0.14 -0.19 0.89 -2.39 -0.49 0.00 0.00 175.26 172.94 1uil n HIS 78 N -1.69 3.33 -0.86 1.61 1.44 -1.26 -2.05 115.22 115.73 1uil n HIS 78 Ca 0.05 -3.97 -0.29 0.00 -2.01 0.00 0.00 57.72 51.50 1uil n HIS 78 Cb 0.60 -0.48 0.20 0.00 0.12 0.00 0.00 29.99 30.43 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 -3.21 1.57 -0.00 -1.39 0.00 -1.26 -4.93 107.32 98.10 1uil s GLY 79 Ca 0.47 -0.15 -0.00 0.00 0.00 0.00 0.00 44.72 45.03 1uil s GLY 79 CO -0.12 0.48 0.57 0.23 0.00 0.00 0.00 173.10 174.25 1uil h SER 80 N -2.18 -0.01 -2.03 1.64 0.87 -1.91 -3.36 113.55 106.57 1uil h SER 80 Ca -0.56 0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 59.53 1uil h SER 80 Cb 1.32 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.27 1uil h SER 80 CO 0.53 -0.01 -0.43 0.54 -0.53 0.00 0.00 176.83 176.94 1uil s ASN 81 N -2.49 5.91 0.17 6.23 2.20 -1.26 -4.06 114.94 121.64 1uil s ASN 81 Ca -0.00 -0.15 -0.29 0.00 -0.94 0.00 0.00 52.86 51.48 1uil s ASN 81 Cb 0.00 -1.46 -0.03 0.00 -2.00 0.00 0.00 41.25 37.75 1uil s ASN 81 CO 0.01 -0.21 1.54 0.11 -2.94 0.00 0.00 177.10 175.61 1uil h LYS 82 N 1.17 -0.03 0.00 3.55 1.57 -1.89 0.90 116.57 121.84 1uil h LYS 82 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1uil h LYS 82 Cb 1.24 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1uil h LYS 82 CO 0.58 -0.02 0.00 1.63 -0.57 0.00 0.00 179.45 181.07 1uil n LYS 83 N -5.29 0.00 0.00 3.15 4.01 -1.26 0.62 118.16 119.39 1uil n LYS 83 Ca 0.03 0.81 0.00 0.00 -0.51 0.00 0.00 58.31 58.63 1uil n LYS 83 Cb 0.28 -1.36 0.00 0.00 -0.51 0.00 0.00 35.03 33.44 1uil n LYS 83 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1uil n LEU 84 N -2.36 0.00 -0.07 -0.35 4.77 -0.58 0.73 117.00 119.14 1uil n LEU 84 Ca 0.00 0.89 -0.02 0.00 -0.03 0.00 0.00 56.01 56.85 1uil n LEU 84 Cb 0.00 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.66 1uil n LEU 84 CO 0.00 -0.42 0.40 0.00 -1.33 0.00 0.00 177.39 176.04 1uil n ALA 85 N -2.71 -0.10 -0.12 -1.18 0.00 0.21 -0.70 120.51 115.91 1uil n ALA 85 Ca 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.52 1uil n ALA 85 Cb 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.56 -0.37 -0.64 0.00 0.00 0.14 -0.88 119.26 116.95 1uil h ALA 86 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1uil h ALA 86 Cb 0.07 1.04 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1uil h ALA 86 CO -0.15 -0.52 0.00 1.04 0.00 0.00 0.00 179.25 179.62 1uil n GLN 87 N -3.93 0.00 -0.32 0.00 6.02 0.23 0.20 117.38 119.57 1uil n GLN 87 Ca -0.00 0.68 0.31 0.00 -0.01 0.00 0.00 57.00 57.98 1uil n GLN 87 Cb 0.13 -1.08 0.55 0.00 1.02 0.00 0.00 30.24 30.87 1uil n GLN 87 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1uil n SER 88 N -2.27 0.28 0.42 1.08 7.64 0.12 0.15 113.62 121.04 1uil n SER 88 Ca 0.00 1.44 -0.18 0.00 1.01 0.00 0.00 58.87 61.14 1uil n SER 88 Cb 0.00 -0.70 -0.09 0.00 -1.01 0.00 0.00 64.21 62.41 1uil n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uil n ALA 90 N -2.62 -0.10 -0.47 0.00 0.00 0.40 0.51 120.51 118.23 1uil n ALA 90 Ca -0.14 0.00 0.40 0.00 0.00 0.00 0.00 53.44 53.69 1uil n ALA 90 Cb 0.43 0.36 0.67 0.00 0.00 0.00 0.00 19.45 20.92 1uil n ALA 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1uil h LEU 91 N 0.00 0.21 0.26 0.00 5.85 -1.34 1.18 115.31 121.46 1uil h LEU 91 Ca 0.00 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1uil h LEU 91 Cb 0.00 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1uil h LEU 91 CO 0.00 -0.25 -0.23 -1.28 -0.34 0.00 0.00 178.44 176.34 1uil h SER 92 N 0.02 -0.60 -0.54 1.25 0.87 0.15 0.55 113.55 115.25 1uil h SER 92 Ca 0.87 0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 61.40 1uil h SER 92 Cb 2.79 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 64.93 1uil h SER 92 CO -0.46 -0.34 0.02 -0.07 -0.53 0.00 0.00 176.83 175.44 1uil h LEU 93 N -0.51 0.94 0.01 2.23 -0.00 0.27 -2.32 115.31 115.94 1uil h LEU 93 Ca -0.01 -0.25 -0.00 0.00 -0.00 0.00 0.00 57.88 57.62 1uil h LEU 93 Cb 0.46 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 40.87 1uil h LEU 93 CO -0.03 0.99 -0.01 0.58 -0.00 0.00 0.00 178.44 179.97 1uil h VAL 94 N 0.90 0.00 -0.96 1.22 2.07 -0.01 0.49 116.25 119.97 1uil h VAL 94 Ca 0.17 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.85 1uil h VAL 94 Cb 0.50 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.11 1uil h VAL 94 CO 0.02 0.00 -0.34 0.54 0.02 0.00 0.00 177.57 177.81 1uil n ARG 95 N -2.12 -0.19 -0.03 1.57 1.74 0.19 0.75 116.66 118.56 1uil n ARG 95 Ca -0.00 1.48 -0.09 0.00 -0.77 0.00 0.00 57.85 58.47 1uil n ARG 95 Cb 0.01 -2.20 -0.03 0.00 -1.02 0.00 0.00 32.46 29.21 1uil n ARG 95 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1uil h GLN 96 N 0.00 0.01 -0.54 5.56 7.50 -1.30 0.21 115.11 126.54 1uil h GLN 96 Ca 0.36 -0.00 0.11 0.00 0.50 0.00 0.00 58.65 59.62 1uil h GLN 96 Cb 0.60 -0.00 -0.10 0.00 0.05 0.00 0.00 27.48 28.02 1uil h GLN 96 CO -0.96 0.01 -0.16 -0.07 -1.50 0.00 0.00 178.83 176.15 1uil h LEU 97 N 0.01 -0.57 0.55 1.46 3.38 0.54 0.13 115.31 120.80 1uil h LEU 97 Ca 0.08 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1uil h LEU 97 Cb 0.12 0.36 0.01 0.00 0.09 0.00 0.00 40.66 41.24 1uil h LEU 97 CO -0.17 -0.20 -0.26 0.22 0.09 0.00 0.00 178.44 178.12 1uil h TYR 98 N -0.03 -0.68 -0.68 1.13 3.20 -0.22 0.64 116.97 120.34 1uil h TYR 98 Ca 0.26 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.20 1uil h TYR 98 Cb 0.42 0.22 -0.11 0.00 1.54 0.00 0.00 36.73 38.81 1uil h TYR 98 CO -0.47 -0.38 -0.51 1.12 -1.64 0.00 0.00 178.16 176.27 1uil h HIS 99 N -0.83 -1.57 -0.34 -3.82 2.07 0.20 0.23 115.15 111.09 1uil h HIS 99 Ca -0.07 0.10 0.06 0.00 -2.85 0.00 0.00 60.37 57.60 1uil h HIS 99 Cb 0.60 0.78 -0.05 0.00 2.57 0.00 0.00 27.41 31.31 1uil h HIS 99 CO -0.02 -0.43 0.03 -0.07 -3.07 0.00 0.00 177.93 174.38 1uil h LEU 100 N -0.20 -0.06 0.00 6.12 3.38 -0.73 -3.46 115.31 120.35 1uil h LEU 100 Ca 0.16 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1uil h LEU 100 Cb 0.53 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1uil h LEU 100 CO -0.76 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.39 1uil n GLY 101 N -1.24 0.75 0.04 0.83 0.00 0.81 -5.07 105.19 101.32 1uil n GLY 101 Ca 0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 0.51 -4.14 1.61 0.31 0.20 -4.98 118.33 111.84 1uil n VAL 102 Ca 0.00 -0.20 -0.27 0.00 -0.01 0.00 0.00 64.34 63.86 1uil n VAL 102 Cb 0.00 -0.82 -0.04 0.00 -0.91 0.00 0.00 33.84 32.07 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 -2.18 1.75 0.01 2.52 -4.36 -1.23 -4.94 121.20 112.77 1uil s ILE 103 Ca -0.12 -1.65 0.04 0.00 -0.26 0.00 0.00 60.65 58.66 1uil s ILE 103 Cb 0.03 -2.40 -0.01 0.00 1.25 0.00 0.00 42.46 41.32 1uil s ILE 103 CO 0.21 0.00 -0.11 -1.83 0.24 0.00 0.00 174.94 173.45 1uil s GLU 104 N -4.09 0.86 -0.20 0.37 -1.05 -1.26 -4.56 118.70 108.77 1uil s GLU 104 Ca 0.30 -0.52 -0.38 0.00 -0.15 0.00 0.00 54.97 54.22 1uil s GLU 104 Cb 0.00 -0.83 -0.18 0.00 -0.44 0.00 0.00 34.13 32.69 1uil s GLU 104 CO 0.18 0.22 1.15 0.00 0.95 0.00 0.00 175.26 177.75 1uil n ALA 105 N 2.45 -2.33 -0.91 -0.84 0.00 -1.26 -4.80 120.51 112.82 1uil n ALA 105 Ca -0.16 0.49 -0.37 0.00 0.00 0.00 0.00 53.44 53.40 1uil n ALA 105 Cb 0.56 -1.61 0.07 0.00 0.00 0.00 0.00 19.45 18.47 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 2.31 -1.74 -2.30 0.00 9.36 -1.26 -4.84 117.16 118.69 1uil n TYR 106 Ca 0.22 0.46 0.04 0.00 3.32 0.00 0.00 57.90 61.93 1uil n TYR 106 Cb 0.01 -1.44 0.04 0.00 -0.63 0.00 0.00 39.34 37.32 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 2.07 0.98 0.26 2.98 2.88 -1.26 -4.55 113.62 116.98 1uil n SER 107 Ca -0.01 -2.25 -0.16 0.00 -1.33 0.00 0.00 58.87 55.12 1uil n SER 107 Cb 0.70 -0.32 -0.08 0.00 -0.75 0.00 0.00 64.21 63.76 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 0.85 -0.65 -4.98 -3.46 0.87 -1.92 -3.50 113.55 100.77 1uil h SER 108 Ca -0.17 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1uil h SER 108 Cb 1.71 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.86 1uil h SER 108 CO 0.07 -0.42 0.00 0.61 -0.53 0.00 0.00 176.83 176.57 1uil n GLY 109 N -1.39 2.01 3.55 5.77 0.00 -1.26 -4.88 105.19 108.99 1uil n GLY 109 Ca -0.11 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.88 2.92 0.00 1.61 0.04 -1.26 -4.62 135.00 130.82 1uil s PRO 110 Ca 0.00 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1uil s PRO 110 Cb 0.00 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1uil s PRO 110 CO 0.00 -2.43 0.00 0.45 0.04 0.00 0.00 177.00 175.06 1uil n SER 111 N 11.01 0.00 -0.05 6.66 2.88 -1.26 -4.99 113.62 127.88 1uil n SER 111 Ca 0.11 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.60 1uil n SER 111 Cb 0.50 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.90 1uil n SER 111 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1uil n SER 112 N -2.04 2.95 0.00 -3.46 3.41 -1.26 -5.32 113.62 107.89 1uil n SER 112 Ca 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1uil n SER 112 Cb 0.00 0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1uil n SER 112 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49