#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uia s VAL 2 N 0.00 4.92 0.51 3.15 1.01 -1.26 -1.22 120.40 127.51 1uia s VAL 2 Ca 0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.16 1uia s VAL 2 Cb 0.00 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 1uia s VAL 2 CO 0.00 -0.20 0.97 -0.36 0.00 0.00 0.00 175.10 175.52 1uia s PHE 3 N 1.63 3.45 0.42 5.22 0.08 0.51 -4.98 117.98 124.30 1uia s PHE 3 Ca 0.04 1.46 -0.05 0.00 0.12 0.00 0.00 56.93 58.49 1uia s PHE 3 Cb -0.19 -2.78 -0.04 0.00 -0.57 0.00 0.00 43.02 39.44 1uia s PHE 3 CO 0.08 -0.35 0.71 0.20 -0.10 0.00 0.00 175.22 175.77 1uia s GLY 4 N -3.04 1.59 0.07 4.36 0.00 -1.26 -4.85 107.32 104.19 1uia s GLY 4 Ca 0.59 -0.54 -0.25 0.00 0.00 0.00 0.00 44.72 44.53 1uia s GLY 4 CO 0.31 -0.39 1.39 -0.09 0.00 0.00 0.00 173.10 174.31 1uia h ARG 5 N 0.68 -0.59 -0.37 2.90 2.43 -1.98 0.35 114.38 117.81 1uia h ARG 5 Ca -0.48 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 1uia h ARG 5 Cb 1.20 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.87 1uia h ARG 5 CO 0.63 -0.39 0.13 0.00 -1.51 0.00 0.00 179.97 178.82 1uia h GLU 7 N 0.53 0.34 -0.69 0.00 4.81 -1.89 -1.90 114.58 115.77 1uia h GLU 7 Ca 0.13 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1uia h GLU 7 Cb 0.14 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1uia h GLU 7 CO -0.01 0.37 0.21 1.25 -0.73 0.00 0.00 179.01 180.10 1uia h LEU 8 N 0.23 1.02 -0.66 1.64 5.85 -0.55 -1.59 115.31 121.26 1uia h LEU 8 Ca 0.08 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.63 1uia h LEU 8 Cb 0.15 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 1uia h LEU 8 CO -0.01 0.96 0.38 0.00 -0.34 0.00 0.00 178.44 179.44 1uia h ALA 9 N 1.09 0.87 -0.45 1.25 0.00 -0.96 0.72 119.26 121.79 1uia h ALA 9 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1uia h ALA 9 Cb 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1uia h ALA 9 CO -0.01 0.09 0.02 0.00 0.00 0.00 0.00 179.25 179.35 1uia h ALA 10 N 1.32 0.60 0.00 0.00 0.00 -1.15 -2.58 119.26 117.45 1uia h ALA 10 Ca 0.28 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1uia h ALA 10 Cb 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1uia h ALA 10 CO -0.15 0.37 -0.10 0.00 0.00 0.00 0.00 179.25 179.37 1uia h ALA 11 N 0.92 1.68 -0.60 0.00 0.00 -0.56 -2.47 119.26 118.24 1uia h ALA 11 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1uia h ALA 11 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1uia h ALA 11 CO 0.02 0.13 0.00 -1.33 0.00 0.00 0.00 179.25 178.06 1uia n MET 12 N -4.20 3.32 0.33 0.00 2.81 0.18 -4.61 117.12 114.94 1uia n MET 12 Ca -0.03 -2.55 0.22 0.00 -1.81 0.00 0.00 57.70 53.53 1uia n MET 12 Cb 0.18 -1.78 1.16 0.00 -0.71 0.00 0.00 33.22 32.07 1uia n MET 12 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1uia h LYS 13 N 3.74 0.00 0.00 0.03 1.57 -1.10 -0.38 116.57 120.42 1uia h LYS 13 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1uia h LYS 13 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1uia h LYS 13 CO 0.18 0.00 0.00 0.78 -0.57 0.00 0.00 179.45 179.84 1uia h GLY 16 N 0.18 0.00 0.68 3.86 0.00 -1.86 -2.33 103.07 103.60 1uia h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1uia h GLY 16 CO 0.00 0.00 -0.77 1.04 0.00 0.00 0.00 176.54 176.81 1uia n LEU 17 N -2.58 0.65 -4.58 3.11 4.77 -0.16 -4.75 117.00 113.47 1uia n LEU 17 Ca 0.01 -0.10 -0.46 0.00 -0.03 0.00 0.00 56.01 55.43 1uia n LEU 17 Cb 0.23 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1uia n LEU 17 CO 0.22 0.12 1.75 -0.67 -1.33 0.00 0.00 177.39 177.47 1uia n ASP 18 N -1.67 3.04 -0.92 -1.43 2.03 -0.88 -1.21 116.55 115.50 1uia n ASP 18 Ca 0.04 0.47 -0.12 0.00 0.52 0.00 0.00 54.79 55.70 1uia n ASP 18 Cb 0.37 -1.43 -0.05 0.00 -0.72 0.00 0.00 41.12 39.29 1uia n ASP 18 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1uia n ASN 19 N 9.82 -4.81 -4.68 1.67 3.02 0.83 -4.88 115.26 116.22 1uia n ASN 19 Ca 0.31 0.30 -0.42 0.00 -0.03 0.00 0.00 54.58 54.73 1uia n ASN 19 Cb 0.35 -3.37 -0.03 0.00 -0.61 0.00 0.00 39.78 36.12 1uia n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1uia s TYR 20 N -2.33 2.92 -1.31 3.10 5.04 -0.35 -1.66 117.35 122.76 1uia s TYR 20 Ca 0.00 0.93 0.00 0.00 -2.44 0.00 0.00 57.07 55.56 1uia s TYR 20 Cb 0.00 -3.59 0.00 0.00 0.35 0.00 0.00 41.96 38.72 1uia s TYR 20 CO 0.00 -2.10 0.00 0.54 -1.34 0.00 0.00 175.55 172.65 1uia n ARG 21 N 5.50 -0.98 -0.60 4.97 3.00 -1.26 -1.79 116.66 125.49 1uia n ARG 21 Ca 0.13 0.92 0.00 0.00 -0.01 0.00 0.00 57.85 58.89 1uia n ARG 21 Cb 0.44 -4.99 0.00 0.00 0.00 0.00 0.00 32.46 27.92 1uia n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1uia n GLY 22 N -1.22 0.79 3.52 -0.13 0.00 -0.67 -5.03 105.19 102.46 1uia n GLY 22 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1uia n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uia s TYR 23 N -3.01 3.13 0.76 1.61 2.02 -0.74 -4.87 117.35 116.25 1uia s TYR 23 Ca 0.00 -0.05 -0.14 0.00 -0.37 0.00 0.00 57.07 56.51 1uia s TYR 23 Cb 0.00 -3.08 0.06 0.00 -0.40 0.00 0.00 41.96 38.54 1uia s TYR 23 CO 0.00 -0.70 1.20 -1.54 -1.57 0.00 0.00 175.55 172.94 1uia s SER 24 N 1.86 3.99 0.28 2.29 1.04 -1.26 -0.12 113.70 121.78 1uia s SER 24 Ca 0.18 2.33 0.03 0.00 0.48 0.00 0.00 55.95 58.97 1uia s SER 24 Cb -0.15 -2.59 0.64 0.00 0.10 0.00 0.00 66.02 64.03 1uia s SER 24 CO 0.15 -2.40 1.76 0.25 0.98 0.00 0.00 173.24 173.98 1uia h LEU 25 N -0.56 0.62 -1.50 2.42 5.85 -1.90 -1.08 115.31 119.17 1uia h LEU 25 Ca -0.47 0.10 0.19 0.00 0.84 0.00 0.00 57.88 58.55 1uia h LEU 25 Cb 1.29 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.25 1uia h LEU 25 CO 0.48 0.22 0.59 1.23 -0.34 0.00 0.00 178.44 180.62 1uia h GLY 26 N 0.67 0.89 1.02 3.75 0.00 -1.91 -0.37 103.07 107.12 1uia h GLY 26 Ca 0.53 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.63 1uia h GLY 26 CO -0.39 0.01 0.33 3.43 0.00 0.00 0.00 176.54 179.92 1uia h ASN 27 N 0.43 0.99 -0.31 0.19 2.35 -1.44 -1.07 115.58 116.72 1uia h ASN 27 Ca 0.46 -0.15 -0.17 0.00 -0.55 0.00 0.00 56.30 55.89 1uia h ASN 27 Cb 1.10 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 39.21 1uia h ASN 27 CO -0.18 0.87 -0.47 -0.50 -1.65 0.00 0.00 177.43 175.50 1uia h TRP 28 N 1.05 1.07 -0.41 1.19 4.06 -1.16 -1.80 115.95 119.95 1uia h TRP 28 Ca 0.25 -0.36 -0.14 0.00 2.06 0.00 0.00 58.89 60.70 1uia h TRP 28 Cb 0.16 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.10 1uia h TRP 28 CO 0.01 1.18 -0.29 0.28 -3.56 0.00 0.00 178.44 176.06 1uia h VAL 29 N 0.65 1.27 -0.26 1.49 2.07 -1.29 -2.36 116.25 117.82 1uia h VAL 29 Ca 0.03 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.08 1uia h VAL 29 Cb 1.07 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1uia h VAL 29 CO 0.11 0.49 0.10 0.00 0.02 0.00 0.00 177.57 178.28 1uia h ALA 31 N 0.93 0.13 -0.56 0.00 0.00 -1.28 -2.21 119.26 116.28 1uia h ALA 31 Ca 0.09 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1uia h ALA 31 Cb 0.20 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1uia h ALA 31 CO -0.01 -0.46 0.27 0.00 0.00 0.00 0.00 179.25 179.05 1uia h ALA 32 N 1.16 0.73 -0.05 0.00 0.00 -1.30 0.48 119.26 120.28 1uia h ALA 32 Ca 0.08 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1uia h ALA 32 Cb 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1uia h ALA 32 CO -0.16 -0.09 -0.14 -0.22 0.00 0.00 0.00 179.25 178.64 1uia h LYS 33 N 0.51 -0.21 0.00 0.00 1.63 -1.03 0.05 116.57 117.52 1uia h LYS 33 Ca 0.26 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1uia h LYS 33 Cb 0.20 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1uia h LYS 33 CO -0.20 -0.14 -0.04 0.74 -3.45 0.00 0.00 179.45 176.37 1uia h PHE 34 N -0.21 0.00 0.10 1.91 0.04 -0.98 0.27 116.94 118.07 1uia h PHE 34 Ca 0.06 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.52 1uia h PHE 34 Cb 0.30 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1uia h PHE 34 CO -0.22 0.00 -1.67 0.93 -0.60 0.00 0.00 178.31 176.74 1uia h GLU 35 N 0.00 0.22 0.00 1.51 4.39 0.23 -3.44 114.58 117.50 1uia h GLU 35 Ca 0.00 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1uia h GLU 35 Cb 0.79 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1uia h GLU 35 CO 0.00 1.18 0.00 -1.13 -1.16 0.00 0.00 179.01 177.90 1uia n SER 36 N -3.80 0.31 -3.00 1.42 3.41 -0.06 -4.83 113.62 107.08 1uia n SER 36 Ca -0.29 -0.89 -0.21 0.00 -0.26 0.00 0.00 58.87 57.21 1uia n SER 36 Cb 0.94 0.05 0.05 0.00 -0.26 0.00 0.00 64.21 64.99 1uia n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1uia n ASN 37 N -0.05 -5.80 -0.66 4.04 5.15 0.08 -1.98 115.26 116.04 1uia n ASN 37 Ca 0.00 -0.37 -0.09 0.00 -0.60 0.00 0.00 54.58 53.52 1uia n ASN 37 Cb 0.14 -4.52 -0.04 0.00 -0.53 0.00 0.00 39.78 34.84 1uia n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1uia n PHE 38 N -4.57 0.00 -3.59 1.20 3.72 -1.18 -4.84 117.46 108.20 1uia n PHE 38 Ca -0.04 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.96 1uia n PHE 38 Cb 0.58 -2.16 -0.11 0.00 -0.94 0.00 0.00 39.48 36.85 1uia n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1uia s ASN 39 N -2.47 5.79 0.57 4.37 2.47 -0.84 -0.36 114.94 124.46 1uia s ASN 39 Ca 0.00 -0.60 0.32 0.00 0.42 0.00 0.00 52.86 53.01 1uia s ASN 39 Cb 0.00 -2.06 1.70 0.00 -1.45 0.00 0.00 41.25 39.44 1uia s ASN 39 CO 0.00 -0.26 2.15 0.71 -3.72 0.00 0.00 177.10 175.98 1uia h THR 40 N 5.64 0.35 -0.19 -5.21 1.35 -1.47 -2.86 112.91 110.52 1uia h THR 40 Ca -0.30 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1uia h THR 40 Cb 1.14 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1uia h THR 40 CO 0.64 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 175.97 1uia n GLN 41 N -3.46 1.70 -2.07 4.72 6.02 -1.26 -3.98 117.38 119.05 1uia n GLN 41 Ca -0.02 -1.06 -0.41 0.00 -0.01 0.00 0.00 57.00 55.50 1uia n GLN 41 Cb 0.19 -1.37 -0.02 0.00 1.02 0.00 0.00 30.24 30.07 1uia n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1uia s ALA 42 N -1.76 3.53 0.02 -1.58 0.00 -1.08 -4.82 121.76 116.08 1uia s ALA 42 Ca 0.30 1.30 -0.03 0.00 0.00 0.00 0.00 51.96 53.53 1uia s ALA 42 Cb 0.16 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1uia s ALA 42 CO 0.24 -0.70 0.04 0.95 0.00 0.00 0.00 175.76 176.30 1uia s THR 43 N -0.86 0.12 -0.18 0.00 -4.23 -1.26 -0.41 115.64 108.81 1uia s THR 43 Ca 0.52 -0.96 -0.09 0.00 -1.18 0.00 0.00 61.69 59.98 1uia s THR 43 Cb -0.41 -0.54 0.06 0.00 1.34 0.00 0.00 72.50 72.96 1uia s THR 43 CO 0.51 -0.53 0.42 0.20 -0.54 0.00 0.00 174.62 174.69 1uia s ASN 44 N -1.70 -0.49 0.08 3.99 0.01 -0.76 -4.96 114.94 111.12 1uia s ASN 44 Ca -0.12 0.93 -0.20 0.00 -0.71 0.00 0.00 52.86 52.76 1uia s ASN 44 Cb -0.06 0.87 -0.07 0.00 0.41 0.00 0.00 41.25 42.40 1uia s ASN 44 CO -0.02 -0.20 0.61 -0.60 -1.51 0.00 0.00 177.10 175.38 1uia s ARG 45 N 1.58 4.27 0.34 -0.60 6.06 -1.26 0.10 118.95 129.45 1uia s ARG 45 Ca -0.08 0.81 0.07 0.00 -2.50 0.00 0.00 55.73 54.03 1uia s ARG 45 Cb -0.09 -3.25 -0.02 0.00 0.06 0.00 0.00 34.95 31.65 1uia s ARG 45 CO -0.13 0.61 0.38 -0.80 -2.50 0.00 0.00 175.30 172.86 1uia s ASN 46 N -1.05 5.59 0.33 -2.12 0.01 0.61 -4.97 114.94 113.34 1uia s ASN 46 Ca 0.30 -0.37 0.06 0.00 -0.71 0.00 0.00 52.86 52.14 1uia s ASN 46 Cb -0.20 -1.06 0.71 0.00 0.41 0.00 0.00 41.25 41.11 1uia s ASN 46 CO 0.20 -0.41 1.88 0.74 -1.51 0.00 0.00 177.10 178.00 1uia h THR 47 N 1.07 0.91 0.00 1.60 2.02 -1.98 -1.65 112.91 114.87 1uia h THR 47 Ca -0.45 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1uia h THR 47 Cb 1.26 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1uia h THR 47 CO 0.55 0.15 0.00 -0.90 0.37 0.00 0.00 175.52 175.69 1uia n ASP 48 N -4.55 0.00 0.00 4.18 5.75 -1.26 -4.89 116.55 115.79 1uia n ASP 48 Ca 0.16 -1.26 0.00 0.00 -0.01 0.00 0.00 54.79 53.68 1uia n ASP 48 Cb 0.37 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1uia n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1uia n GLY 49 N 0.54 3.31 3.78 6.12 0.00 -0.62 -5.02 105.19 113.29 1uia n GLY 49 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1uia n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uia s SER 50 N -0.85 3.89 0.01 1.61 1.04 -1.26 -4.76 113.70 113.39 1uia s SER 50 Ca 0.00 1.19 0.03 0.00 0.48 0.00 0.00 55.95 57.65 1uia s SER 50 Cb 0.00 -1.86 -0.01 0.00 0.10 0.00 0.00 66.02 64.25 1uia s SER 50 CO 0.00 -2.33 -0.09 -0.89 0.98 0.00 0.00 173.24 170.90 1uia s THR 51 N -3.16 0.73 -0.09 2.02 2.01 -1.26 -0.29 115.64 115.60 1uia s THR 51 Ca 0.62 -0.63 -0.10 0.00 0.31 0.00 0.00 61.69 61.89 1uia s THR 51 Cb -0.15 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 1uia s THR 51 CO 0.54 0.04 0.23 -1.81 -0.69 0.00 0.00 174.62 172.93 1uia s ASP 52 N -0.67 6.51 -0.04 3.53 1.01 0.12 -1.53 116.67 125.60 1uia s ASP 52 Ca 0.00 0.60 0.05 0.00 0.71 0.00 0.00 52.55 53.91 1uia s ASP 52 Cb -0.05 -2.13 -0.01 0.00 1.01 0.00 0.00 42.92 41.74 1uia s ASP 52 CO 0.00 0.35 -0.17 -0.31 0.21 0.00 0.00 175.17 175.25 1uia s TYR 53 N -0.84 1.68 0.00 4.23 1.51 0.36 -1.82 117.35 122.47 1uia s TYR 53 Ca 0.17 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1uia s TYR 53 Cb -0.13 -1.12 0.00 0.00 -0.11 0.00 0.00 41.96 40.60 1uia s TYR 53 CO 0.06 -0.13 0.00 0.41 -1.11 0.00 0.00 175.55 174.78 1uia n GLY 54 N 3.02 -2.13 0.35 0.71 0.00 0.45 -1.59 105.19 105.99 1uia n GLY 54 Ca -0.17 -1.45 0.18 0.00 0.00 0.00 0.00 46.02 44.58 1uia n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1uia h ILE 55 N 0.00 0.52 -0.38 -0.61 6.09 -1.69 -0.60 117.51 120.84 1uia h ILE 55 Ca 0.00 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 1uia h ILE 55 Cb 0.00 -0.08 0.00 0.00 0.47 0.00 0.00 36.82 37.21 1uia h ILE 55 CO 0.00 0.10 0.00 0.18 -3.07 0.00 0.00 178.15 175.36 1uia n LEU 56 N -4.87 3.58 -3.95 2.19 4.77 -1.26 -4.05 117.00 113.41 1uia n LEU 56 Ca 0.27 -2.40 -0.30 0.00 -0.03 0.00 0.00 56.01 53.56 1uia n LEU 56 Cb 0.77 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1uia n LEU 56 CO 0.17 0.74 -0.22 0.00 -1.33 0.00 0.00 177.39 176.74 1uia n GLN 57 N 0.34 -2.25 -2.41 3.23 1.13 -0.23 -4.90 117.38 112.28 1uia n GLN 57 Ca 0.17 0.34 -0.41 0.00 -1.94 0.00 0.00 57.00 55.17 1uia n GLN 57 Cb 0.66 -4.12 -0.03 0.00 0.11 0.00 0.00 30.24 26.86 1uia n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1uia s ILE 58 N -3.86 3.72 0.21 5.09 1.01 -0.62 -4.25 121.20 122.50 1uia s ILE 58 Ca 0.15 1.40 -0.29 0.00 0.00 0.00 0.00 60.65 61.91 1uia s ILE 58 Cb -0.07 -3.90 -0.08 0.00 0.01 0.00 0.00 42.46 38.43 1uia s ILE 58 CO 0.90 0.20 0.92 0.21 0.00 0.00 0.00 174.94 177.18 1uia s ASN 59 N 0.28 7.59 0.22 3.58 3.84 -1.26 -0.49 114.94 128.70 1uia s ASN 59 Ca 0.53 1.88 0.25 0.00 0.21 0.00 0.00 52.86 55.74 1uia s ASN 59 Cb -0.31 -2.59 0.89 0.00 -0.55 0.00 0.00 41.25 38.68 1uia s ASN 59 CO 0.35 0.12 1.75 -1.54 -2.79 0.00 0.00 177.10 175.00 1uia n SER 60 N 1.75 0.72 -0.01 -4.21 3.41 -0.58 -2.11 113.62 112.58 1uia n SER 60 Ca -0.02 0.60 -0.04 0.00 -0.26 0.00 0.00 58.87 59.16 1uia n SER 60 Cb 0.48 -0.78 0.19 0.00 -0.26 0.00 0.00 64.21 63.83 1uia n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1uia h ARG 61 N 0.00 0.55 0.00 4.33 2.43 -1.85 -3.40 114.38 116.44 1uia h ARG 61 Ca 0.00 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1uia h ARG 61 Cb 0.58 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1uia h ARG 61 CO 0.00 0.73 -1.01 0.91 -1.51 0.00 0.00 179.97 179.09 1uia n TRP 62 N -4.14 0.00 -0.06 2.20 7.02 -1.23 -1.24 117.44 119.99 1uia n TRP 62 Ca 0.00 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.30 1uia n TRP 62 Cb 0.39 -0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.14 1uia n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1uia n TRP 63 N -2.31 0.65 -4.27 -5.99 7.02 -0.90 -0.19 117.44 111.45 1uia n TRP 63 Ca -0.00 0.15 -0.15 0.00 -1.02 0.00 0.00 57.50 56.48 1uia n TRP 63 Cb 0.50 -1.09 -0.10 0.00 -2.42 0.00 0.00 31.31 28.20 1uia n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1uia s ASN 65 N -3.20 5.72 0.00 0.00 2.47 -0.14 -4.35 114.94 115.44 1uia s ASN 65 Ca 0.20 0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.49 1uia s ASN 65 Cb 0.03 -2.02 0.00 0.00 -1.45 0.00 0.00 41.25 37.82 1uia s ASN 65 CO 0.02 0.06 0.60 -0.90 -3.72 0.00 0.00 177.10 173.16 1uia n ASP 66 N 4.33 1.20 0.00 -4.21 5.68 -1.26 -0.54 116.55 121.76 1uia n ASP 66 Ca -0.16 -1.19 0.00 0.00 -0.50 0.00 0.00 54.79 52.94 1uia n ASP 66 Cb 0.52 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1uia n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uia n GLY 67 N -0.08 0.22 0.23 6.12 0.00 -1.26 -4.77 105.19 105.65 1uia n GLY 67 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1uia n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1uia n ARG 68 N -0.72 0.23 -3.82 1.61 1.85 -1.26 -4.96 116.66 109.59 1uia n ARG 68 Ca 0.00 -0.89 -0.34 0.00 -1.00 0.00 0.00 57.85 55.62 1uia n ARG 68 Cb 0.28 -0.58 -0.12 0.00 -1.05 0.00 0.00 32.46 30.99 1uia n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1uia s THR 69 N -0.21 3.19 0.29 8.89 2.01 -1.26 -4.90 115.64 123.65 1uia s THR 69 Ca 0.02 -2.89 -0.30 0.00 0.31 0.00 0.00 61.69 58.83 1uia s THR 69 Cb 0.02 -3.15 -0.12 0.00 0.01 0.00 0.00 72.50 69.25 1uia s THR 69 CO 0.00 -0.80 1.44 -2.65 -0.69 0.00 0.00 174.62 171.92 1uia n PRO 70 N 3.59 2.29 -0.83 4.92 -0.02 -1.26 -1.79 135.00 141.90 1uia n PRO 70 Ca 0.05 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1uia n PRO 70 Cb 0.37 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1uia n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uia n GLY 71 N 1.74 0.91 3.63 -1.23 0.00 -1.26 -5.02 105.19 103.96 1uia n GLY 71 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1uia n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uia n SER 72 N 0.00 1.14 -0.06 1.61 2.88 -0.74 -4.98 113.62 113.48 1uia n SER 72 Ca 0.00 0.87 -0.01 0.00 -1.33 0.00 0.00 58.87 58.39 1uia n SER 72 Cb 0.00 -1.41 -0.14 0.00 -0.75 0.00 0.00 64.21 61.91 1uia n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1uia n ARG 73 N -0.83 0.91 -3.85 -1.46 1.74 -0.38 -4.99 116.66 107.80 1uia n ARG 73 Ca 0.12 -0.07 -0.26 0.00 -0.77 0.00 0.00 57.85 56.88 1uia n ARG 73 Cb 0.46 -1.45 0.01 0.00 -1.02 0.00 0.00 32.46 30.46 1uia n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1uia n ASN 74 N -2.45 -2.04 0.30 0.55 5.15 -0.80 -4.87 115.26 111.09 1uia n ASN 74 Ca -0.19 -0.87 0.17 0.00 -0.60 0.00 0.00 54.58 53.10 1uia n ASN 74 Cb 0.84 -3.69 0.98 0.00 -0.53 0.00 0.00 39.78 37.38 1uia n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1uia h LEU 75 N -1.89 0.00 -0.71 1.20 3.38 -0.51 0.86 115.31 117.63 1uia h LEU 75 Ca -0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1uia h LEU 75 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1uia h LEU 75 CO 0.62 0.00 -0.17 0.00 0.09 0.00 0.00 178.44 178.98 1uia n ASN 77 N -0.30 -3.71 -3.65 0.00 3.02 0.29 -5.00 115.26 105.92 1uia n ASN 77 Ca 0.14 -0.90 -0.15 0.00 -0.03 0.00 0.00 54.58 53.64 1uia n ASN 77 Cb 0.36 -3.87 -0.07 0.00 -0.61 0.00 0.00 39.78 35.59 1uia n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1uia s ILE 78 N -3.56 0.03 0.31 2.41 -4.36 -1.26 -5.07 121.20 109.70 1uia s ILE 78 Ca 0.27 -0.27 -0.28 0.00 -0.26 0.00 0.00 60.65 60.12 1uia s ILE 78 Cb -0.08 -0.81 -0.09 0.00 1.25 0.00 0.00 42.46 42.72 1uia s ILE 78 CO 0.83 -0.15 1.04 -2.16 0.24 0.00 0.00 174.94 174.74 1uia s PRO 79 N -1.41 4.54 0.52 0.37 0.04 -1.26 -0.97 135.00 136.83 1uia s PRO 79 Ca -0.12 1.61 0.25 0.00 0.04 0.00 0.00 61.00 62.79 1uia s PRO 79 Cb -0.03 -2.98 1.37 0.00 0.04 0.00 0.00 34.50 32.91 1uia s PRO 79 CO 0.06 0.18 1.99 0.00 0.04 0.00 0.00 177.00 179.26 1uia h SER 81 N 0.04 0.00 0.52 0.00 4.64 -1.91 -0.07 113.55 116.76 1uia h SER 81 Ca 0.27 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 1uia h SER 81 Cb 1.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1uia h SER 81 CO -0.01 0.02 -0.11 0.00 -0.87 0.00 0.00 176.83 175.86 1uia h ALA 82 N 1.98 1.17 -0.00 5.18 0.00 -1.64 -2.29 119.26 123.65 1uia h ALA 82 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1uia h ALA 82 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1uia h ALA 82 CO 0.00 0.14 -0.00 1.28 0.00 0.00 0.00 179.25 180.67 1uia n LEU 83 N -3.46 0.03 -0.38 0.00 4.77 -0.04 -3.31 117.00 114.61 1uia n LEU 83 Ca -0.01 0.14 0.10 0.00 -0.03 0.00 0.00 56.01 56.21 1uia n LEU 83 Cb 0.26 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1uia n LEU 83 CO 0.29 0.01 0.22 0.18 -1.33 0.00 0.00 177.39 176.76 1uia n LEU 84 N -1.13 1.77 -4.73 2.23 4.77 -0.86 -4.07 117.00 114.98 1uia n LEU 84 Ca 0.19 -0.70 -0.36 0.00 -0.03 0.00 0.00 56.01 55.11 1uia n LEU 84 Cb 0.18 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1uia n LEU 84 CO 0.21 0.34 0.86 -0.55 -1.33 0.00 0.00 177.39 176.92 1uia s SER 85 N -2.53 4.53 0.56 -1.43 0.15 -1.21 -4.12 113.70 109.66 1uia s SER 85 Ca 0.16 2.49 0.34 0.00 0.70 0.00 0.00 55.95 59.64 1uia s SER 85 Cb 0.17 -2.61 1.51 0.00 -1.71 0.00 0.00 66.02 63.38 1uia s SER 85 CO 0.62 -2.04 2.04 0.77 1.20 0.00 0.00 173.24 175.82 1uia h SER 86 N 0.28 0.00 -3.57 5.45 4.64 -1.94 -3.38 113.55 115.04 1uia h SER 86 Ca -0.50 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.20 1uia h SER 86 Cb 1.32 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.28 1uia h SER 86 CO 0.52 0.03 0.24 -0.62 -0.87 0.00 0.00 176.83 176.13 1uia s ASP 87 N -5.69 6.45 0.00 4.97 2.15 -1.26 -4.94 116.67 118.35 1uia s ASP 87 Ca -0.00 0.11 0.06 0.00 0.43 0.00 0.00 52.55 53.15 1uia s ASP 87 Cb 0.10 -2.35 0.20 0.00 -0.30 0.00 0.00 42.92 40.57 1uia s ASP 87 CO 0.53 -0.70 1.16 2.30 -0.17 0.00 0.00 175.17 178.30 1uia n ILE 88 N 5.75 0.24 -0.16 4.11 -5.35 -1.26 -4.40 119.36 118.30 1uia n ILE 88 Ca 0.00 -0.25 -0.03 0.00 -0.27 0.00 0.00 62.75 62.21 1uia n ILE 88 Cb 0.48 0.12 0.04 0.00 -1.74 0.00 0.00 39.64 38.54 1uia n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1uia h THR 89 N 1.10 0.53 -0.93 7.28 2.02 -1.93 0.22 112.91 121.20 1uia h THR 89 Ca 0.00 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.21 1uia h THR 89 Cb 0.25 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 1uia h THR 89 CO 0.00 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.50 1uia h ALA 90 N 1.48 1.42 -0.34 6.16 0.00 -1.87 0.11 119.26 126.22 1uia h ALA 90 Ca 0.24 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1uia h ALA 90 Cb 0.37 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1uia h ALA 90 CO -0.49 0.48 -0.07 0.77 0.00 0.00 0.00 179.25 179.95 1uia h SER 91 N 1.15 0.65 -0.45 0.00 0.02 -1.55 -1.33 113.55 112.04 1uia h SER 91 Ca 0.37 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1uia h SER 91 Cb 0.04 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1uia h SER 91 CO -0.12 0.85 0.23 0.58 -1.14 0.00 0.00 176.83 177.23 1uia h VAL 92 N 0.44 1.18 0.00 2.27 2.07 -0.42 0.10 116.25 121.90 1uia h VAL 92 Ca 0.09 -0.49 -0.10 0.00 0.82 0.00 0.00 66.70 67.02 1uia h VAL 92 Cb 0.56 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1uia h VAL 92 CO 0.03 0.19 -0.49 0.78 0.02 0.00 0.00 177.57 178.11 1uia h ASN 93 N 0.59 0.00 0.46 0.57 -0.26 -0.71 -2.21 115.58 114.02 1uia h ASN 93 Ca 0.16 0.00 -0.30 0.00 -0.56 0.00 0.00 56.30 55.60 1uia h ASN 93 Cb 0.10 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.38 1uia h ASN 93 CO -0.02 0.49 -1.33 0.00 -1.06 0.00 0.00 177.43 175.50 1uia h ALA 95 N 0.40 1.57 -0.93 0.00 0.00 -0.60 -1.23 119.26 118.48 1uia h ALA 95 Ca -0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1uia h ALA 95 Cb 2.04 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.54 1uia h ALA 95 CO 0.23 0.37 0.58 0.87 0.00 0.00 0.00 179.25 181.31 1uia h LYS 96 N 0.87 1.24 -0.26 0.00 1.57 -1.43 -0.91 116.57 117.65 1uia h LYS 96 Ca 0.27 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1uia h LYS 96 Cb 0.01 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1uia h LYS 96 CO -0.07 0.85 -0.20 0.87 -0.57 0.00 0.00 179.45 180.33 1uia h LYS 97 N 1.27 0.59 -0.22 3.15 1.57 -1.28 -2.98 116.57 118.68 1uia h LYS 97 Ca 0.34 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1uia h LYS 97 Cb -0.09 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1uia h LYS 97 CO -0.07 0.88 0.14 0.82 -0.57 0.00 0.00 179.45 180.65 1uia h ILE 98 N 0.32 1.06 0.00 1.86 2.04 -1.07 -2.29 117.51 119.43 1uia h ILE 98 Ca 0.05 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1uia h ILE 98 Cb 0.74 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1uia h ILE 98 CO 0.05 0.06 0.00 1.62 0.00 0.00 0.00 178.15 179.88 1uia h VAL 99 N 0.29 0.00 0.00 1.67 3.04 -1.23 -1.01 116.25 119.01 1uia h VAL 99 Ca 0.08 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 1uia h VAL 99 Cb -0.02 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.30 1uia h VAL 99 CO -0.02 0.00 -0.76 -1.20 -1.01 0.00 0.00 177.57 174.58 1uia n SER 100 N -2.51 0.64 0.34 3.17 7.64 -0.93 -3.83 113.62 118.13 1uia n SER 100 Ca 0.01 -0.06 0.18 0.00 1.01 0.00 0.00 58.87 60.01 1uia n SER 100 Cb 0.21 0.41 0.95 0.00 -1.01 0.00 0.00 64.21 64.78 1uia n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1uia h ASP 101 N 0.00 0.00 0.00 6.43 3.58 -0.64 -3.46 116.42 122.33 1uia h ASP 101 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1uia h ASP 101 Cb 0.71 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.76 1uia h ASP 101 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1uia n GLY 102 N -1.18 1.01 0.99 -0.78 0.00 -1.26 -4.93 105.19 99.04 1uia n GLY 102 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1uia n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1uia n ASN 103 N 0.00 3.07 0.00 1.61 2.85 -1.26 -5.07 115.26 116.46 1uia n ASN 103 Ca 0.00 -2.00 0.00 0.00 -0.11 0.00 0.00 54.58 52.47 1uia n ASN 103 Cb 0.00 -0.04 0.00 0.00 1.24 0.00 0.00 39.78 40.98 1uia n ASN 103 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1uia n GLY 104 N 1.37 1.52 0.00 8.20 0.00 -1.25 -2.42 105.19 112.62 1uia n GLY 104 Ca 0.15 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.70 1uia n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1uia n MET 105 N 4.90 0.51 0.10 1.61 2.81 -1.26 -2.90 117.12 122.89 1uia n MET 105 Ca 0.00 0.04 0.10 0.00 -1.81 0.00 0.00 57.70 56.03 1uia n MET 105 Cb 0.00 -1.50 0.43 0.00 -0.71 0.00 0.00 33.22 31.44 1uia n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1uia n ASN 106 N -1.13 0.45 0.28 7.83 3.02 -1.02 -1.32 115.26 123.38 1uia n ASN 106 Ca 0.13 0.64 0.16 0.00 -0.03 0.00 0.00 54.58 55.48 1uia n ASN 106 Cb 0.11 -0.72 0.81 0.00 -0.61 0.00 0.00 39.78 39.37 1uia n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uia h ALA 107 N 2.23 1.13 -2.44 5.41 0.00 -1.70 -3.37 119.26 120.52 1uia h ALA 107 Ca 0.00 -0.06 -0.73 0.00 0.00 0.00 0.00 54.91 54.12 1uia h ALA 107 Cb 0.23 -0.01 -0.23 0.00 0.00 0.00 0.00 17.79 17.78 1uia h ALA 107 CO 0.00 0.08 -0.38 -1.58 0.00 0.00 0.00 179.25 177.37 1uia s TRP 108 N -4.01 3.25 0.29 0.00 0.51 -0.43 -4.97 118.94 113.58 1uia s TRP 108 Ca -0.02 -0.89 0.01 0.00 -2.12 0.00 0.00 56.10 53.08 1uia s TRP 108 Cb 0.12 -2.94 0.55 0.00 -0.81 0.00 0.00 33.47 30.39 1uia s TRP 108 CO 0.54 -0.74 1.86 -0.24 -0.51 0.00 0.00 176.95 177.86 1uia h VAL 109 N 5.76 0.97 -0.34 4.03 3.04 -1.84 -1.47 116.25 126.40 1uia h VAL 109 Ca -0.27 -0.34 -0.08 0.00 -1.01 0.00 0.00 66.70 64.99 1uia h VAL 109 Cb 1.11 -0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 30.25 1uia h VAL 109 CO 0.81 0.18 -0.14 0.00 -1.01 0.00 0.00 177.57 177.42 1uia h ALA 110 N 1.53 1.13 -0.08 3.17 0.00 -1.93 -0.62 119.26 122.45 1uia h ALA 110 Ca 0.46 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1uia h ALA 110 Cb 0.40 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1uia h ALA 110 CO -0.22 0.54 -0.00 2.35 0.00 0.00 0.00 179.25 181.92 1uia h TRP 111 N 0.55 0.15 -0.64 0.00 7.01 -1.61 0.49 115.95 121.90 1uia h TRP 111 Ca 0.10 -0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.12 1uia h TRP 111 Cb 0.55 -0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.52 1uia h TRP 111 CO 0.02 0.42 0.35 -0.09 -2.79 0.00 0.00 178.44 176.35 1uia h ARG 112 N -0.15 0.64 0.00 2.65 2.43 -1.07 0.17 114.38 119.04 1uia h ARG 112 Ca 0.02 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1uia h ARG 112 Cb 0.36 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1uia h ARG 112 CO 0.00 0.42 -0.58 -0.91 -1.51 0.00 0.00 179.97 177.40 1uia h ASN 113 N 0.66 0.00 0.00 -3.80 2.35 -1.04 -3.37 115.58 110.38 1uia h ASN 113 Ca 0.29 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1uia h ASN 113 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1uia h ASN 113 CO -0.18 0.04 0.00 0.54 -1.65 0.00 0.00 177.43 176.18 1uia n ARG 114 N -2.52 3.00 -0.02 0.81 1.74 0.15 -4.90 116.66 114.93 1uia n ARG 114 Ca 0.02 -0.01 -0.03 0.00 -0.77 0.00 0.00 57.85 57.07 1uia n ARG 114 Cb 0.49 -0.24 -0.02 0.00 -1.02 0.00 0.00 32.46 31.68 1uia n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1uia n LYS 116 N -2.82 1.28 -1.13 0.00 4.81 0.38 -1.58 118.16 119.09 1uia n LYS 116 Ca -0.07 0.46 -0.02 0.00 -0.87 0.00 0.00 58.31 57.82 1uia n LYS 116 Cb 0.56 -2.19 -0.01 0.00 0.02 0.00 0.00 35.03 33.42 1uia n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uia n GLY 117 N 4.36 0.53 3.78 3.14 0.00 -1.26 -4.97 105.19 110.77 1uia n GLY 117 Ca 0.27 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 1uia n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uia s THR 118 N -2.08 2.10 -1.03 2.61 -4.23 -0.61 -5.02 115.64 107.39 1uia s THR 118 Ca 0.00 -1.66 -0.23 0.00 -1.18 0.00 0.00 61.69 58.62 1uia s THR 118 Cb 0.00 -2.76 0.05 0.00 1.34 0.00 0.00 72.50 71.13 1uia s THR 118 CO 0.00 0.00 1.45 -0.62 -0.54 0.00 0.00 174.62 174.91 1uia s ASP 119 N -3.99 6.51 0.11 3.99 2.15 -1.26 -4.76 116.67 119.42 1uia s ASP 119 Ca 0.37 -1.49 0.25 0.00 0.43 0.00 0.00 52.55 52.10 1uia s ASP 119 Cb 0.02 -2.57 0.95 0.00 -0.30 0.00 0.00 42.92 41.02 1uia s ASP 119 CO 0.21 -1.49 1.76 1.33 -0.17 0.00 0.00 175.17 176.81 1uia n VAL 120 N 6.84 0.51 0.09 1.11 0.24 -1.26 -3.06 118.33 122.80 1uia n VAL 120 Ca 0.33 -0.01 0.05 0.00 -2.04 0.00 0.00 64.34 62.67 1uia n VAL 120 Cb 0.51 -0.73 0.48 0.00 -1.47 0.00 0.00 33.84 32.63 1uia n VAL 120 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1uia h GLN 121 N 0.00 0.35 -0.31 7.34 7.50 -1.90 -1.60 115.11 126.50 1uia h GLN 121 Ca 0.00 -0.03 0.09 0.00 0.50 0.00 0.00 58.65 59.21 1uia h GLN 121 Cb 0.51 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.95 1uia h GLN 121 CO 0.00 0.26 0.33 0.00 -1.50 0.00 0.00 178.83 177.92 1uia h ALA 122 N 1.80 1.99 0.00 3.87 0.00 -1.95 -1.96 119.26 123.00 1uia h ALA 122 Ca 0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1uia h ALA 122 Cb 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1uia h ALA 122 CO -0.02 -0.48 -0.18 -1.49 0.00 0.00 0.00 179.25 177.08 1uia h TRP 123 N 0.00 0.00 -0.23 0.00 4.06 -1.53 -3.00 115.95 115.26 1uia h TRP 123 Ca 0.15 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.10 1uia h TRP 123 Cb 0.79 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.95 1uia h TRP 123 CO 0.00 0.18 0.00 0.44 -3.56 0.00 0.00 178.44 175.50 1uia n ILE 124 N -3.44 0.71 -1.89 1.49 -6.64 -0.75 -4.80 119.36 104.04 1uia n ILE 124 Ca -0.00 -0.86 -0.42 0.00 -1.77 0.00 0.00 62.75 59.70 1uia n ILE 124 Cb 0.37 0.70 -0.02 0.00 -1.44 0.00 0.00 39.64 39.25 1uia n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.77 0.00 0.00 176.55 174.18 1uia s ARG 125 N -0.95 4.20 0.00 6.28 3.52 -1.13 -1.97 118.95 128.88 1uia s ARG 125 Ca 0.18 2.43 0.00 0.00 -0.13 0.00 0.00 55.73 58.21 1uia s ARG 125 Cb 0.10 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.40 1uia s ARG 125 CO 0.14 -0.57 0.00 0.41 -0.81 0.00 0.00 175.30 174.47 1uia n GLY 126 N 2.83 1.53 3.82 8.12 0.00 -1.26 -5.03 105.19 115.20 1uia n GLY 126 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1uia n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uia s ARG 128 N -1.00 3.68 0.00 0.00 3.52 -1.26 -5.11 118.95 118.78 1uia s ARG 128 Ca 0.26 0.28 0.15 0.00 -0.13 0.00 0.00 55.73 56.29 1uia s ARG 128 Cb -0.18 -3.85 0.12 0.00 -1.56 0.00 0.00 34.95 29.48 1uia s ARG 128 CO 0.16 -0.98 0.98 1.28 -0.81 0.00 0.00 175.30 175.93