#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ua6 s VAL 2 N 0.00 3.49 0.54 0.58 1.01 -1.26 -1.35 120.40 123.40 1ua6 s VAL 2 Ca 0.00 -1.13 -0.19 0.00 0.00 0.00 0.00 61.98 60.65 1ua6 s VAL 2 Cb 0.00 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.38 1ua6 s VAL 2 CO 0.00 -0.09 1.11 -0.36 0.00 0.00 0.00 175.10 175.76 1ua6 s PHE 3 N 1.36 2.75 0.40 5.22 0.40 -0.17 -5.00 117.98 122.95 1ua6 s PHE 3 Ca -0.02 1.55 -0.09 0.00 -0.60 0.00 0.00 56.93 57.77 1ua6 s PHE 3 Cb -0.19 -3.23 -0.06 0.00 0.51 0.00 0.00 43.02 40.05 1ua6 s PHE 3 CO 0.01 -1.41 0.75 0.20 0.70 0.00 0.00 175.22 175.47 1ua6 s GLY 4 N -1.88 1.87 0.12 4.36 0.00 -1.26 -4.85 107.32 105.68 1ua6 s GLY 4 Ca 0.71 -0.28 -0.33 0.00 0.00 0.00 0.00 44.72 44.83 1ua6 s GLY 4 CO 0.26 -0.10 1.56 -0.09 0.00 0.00 0.00 173.10 174.74 1ua6 h ARG 5 N 1.15 -0.60 -0.29 2.90 2.43 -1.96 -1.29 114.38 116.73 1ua6 h ARG 5 Ca -0.47 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.70 1ua6 h ARG 5 Cb 1.19 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 1ua6 h ARG 5 CO 0.64 -0.40 0.01 0.00 -1.51 0.00 0.00 179.97 178.71 1ua6 h GLU 7 N 0.42 0.82 -0.32 0.00 4.81 -1.80 -1.84 114.58 116.67 1ua6 h GLU 7 Ca 0.10 -0.17 -0.15 0.00 -0.13 0.00 0.00 59.36 59.00 1ua6 h GLU 7 Cb 0.26 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1ua6 h GLU 7 CO 0.01 0.75 -0.41 1.25 -0.73 0.00 0.00 179.01 179.87 1ua6 h LEU 8 N 0.73 0.84 -0.26 1.64 5.85 -0.94 -2.03 115.31 121.14 1ua6 h LEU 8 Ca 0.17 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.54 1ua6 h LEU 8 Cb 0.26 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1ua6 h LEU 8 CO -0.01 1.14 0.06 0.00 -0.34 0.00 0.00 178.44 179.30 1ua6 h ALA 9 N 0.89 0.28 -0.40 1.25 0.00 -1.16 0.36 119.26 120.48 1ua6 h ALA 9 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ua6 h ALA 9 Cb 0.97 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1ua6 h ALA 9 CO 0.09 -0.35 0.20 0.00 0.00 0.00 0.00 179.25 179.19 1ua6 h ALA 10 N 1.19 0.51 -0.23 0.00 0.00 -1.28 -0.64 119.26 118.81 1ua6 h ALA 10 Ca 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ua6 h ALA 10 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ua6 h ALA 10 CO -0.15 0.07 0.13 0.00 0.00 0.00 0.00 179.25 179.29 1ua6 h ALA 11 N 1.05 0.30 -0.45 0.00 0.00 -0.89 -0.43 119.26 118.83 1ua6 h ALA 11 Ca 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ua6 h ALA 11 Cb 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ua6 h ALA 11 CO -0.02 -0.17 0.16 0.52 0.00 0.00 0.00 179.25 179.74 1ua6 h MET 12 N 0.26 0.66 -0.44 0.00 2.86 -0.13 0.19 114.93 118.33 1ua6 h MET 12 Ca 0.08 -0.10 -0.14 0.00 -2.06 0.00 0.00 59.70 57.48 1ua6 h MET 12 Cb 0.07 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1ua6 h MET 12 CO -0.01 0.56 -0.27 -0.22 1.06 0.00 0.00 176.91 178.03 1ua6 h LYS 13 N 0.65 0.94 -0.15 1.72 3.64 -0.76 -1.52 116.57 121.09 1ua6 h LYS 13 Ca 0.15 -0.43 -0.06 0.00 -1.27 0.00 0.00 60.65 59.05 1ua6 h LYS 13 Cb 0.17 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1ua6 h LYS 13 CO -0.01 1.09 -0.16 -0.09 -2.27 0.00 0.00 179.45 178.01 1ua6 h ARG 14 N 0.80 0.25 -0.72 1.90 2.43 -0.18 -2.01 114.38 116.85 1ua6 h ARG 14 Ca 0.09 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1ua6 h ARG 14 Cb 0.85 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1ua6 h ARG 14 CO 0.07 0.41 0.00 0.72 -1.51 0.00 0.00 179.97 179.67 1ua6 n HIS 15 N -4.24 0.71 -2.20 2.20 8.25 0.59 -4.93 115.22 115.60 1ua6 n HIS 15 Ca -0.01 -0.26 -0.13 0.00 -0.26 0.00 0.00 57.72 57.06 1ua6 n HIS 15 Cb 0.29 -0.20 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 1ua6 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ua6 n GLY 16 N 0.40 -0.08 0.79 -1.41 0.00 -0.75 -4.94 105.19 99.20 1ua6 n GLY 16 Ca 0.10 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1ua6 n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ua6 n LEU 17 N -1.87 2.48 -4.55 0.99 4.77 -0.62 -4.52 117.00 113.68 1ua6 n LEU 17 Ca -0.15 -0.83 -0.40 0.00 -0.03 0.00 0.00 56.01 54.59 1ua6 n LEU 17 Cb 0.61 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.67 1ua6 n LEU 17 CO 0.18 0.41 1.26 -0.62 -1.33 0.00 0.00 177.39 177.29 1ua6 s ASP 18 N -2.00 6.08 0.00 -1.43 2.15 -1.26 -3.22 116.67 116.99 1ua6 s ASP 18 Ca 0.31 -0.48 0.00 0.00 0.43 0.00 0.00 52.55 52.82 1ua6 s ASP 18 Cb 0.20 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 1ua6 s ASP 18 CO 0.31 -1.88 0.00 -3.20 -0.17 0.00 0.00 175.17 170.23 1ua6 n ASN 19 N 9.79 -1.60 -4.68 -0.34 5.15 0.08 -4.86 115.26 118.80 1ua6 n ASN 19 Ca 0.09 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.65 1ua6 n ASN 19 Cb 0.50 -0.49 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 1ua6 n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1ua6 s TYR 20 N -2.62 3.46 -1.53 1.20 5.04 -1.10 -3.98 117.35 117.82 1ua6 s TYR 20 Ca 0.00 1.40 -0.05 0.00 -2.44 0.00 0.00 57.07 55.98 1ua6 s TYR 20 Cb 0.00 -3.09 0.04 0.00 0.35 0.00 0.00 41.96 39.26 1ua6 s TYR 20 CO 0.00 -0.24 0.37 0.54 -1.34 0.00 0.00 175.55 174.89 1ua6 n ARG 21 N 5.16 -2.45 -0.94 4.97 5.12 -1.26 -1.68 116.66 125.57 1ua6 n ARG 21 Ca 0.06 0.29 0.00 0.00 -1.93 0.00 0.00 57.85 56.28 1ua6 n ARG 21 Cb 0.49 -4.37 0.00 0.00 -1.16 0.00 0.00 32.46 27.41 1ua6 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ua6 n GLY 22 N -2.00 0.80 3.43 -0.13 0.00 -1.26 -5.03 105.19 101.00 1ua6 n GLY 22 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1ua6 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ua6 s TYR 23 N -3.15 3.04 0.69 1.61 2.02 -0.68 -4.99 117.35 115.90 1ua6 s TYR 23 Ca 0.00 -0.52 -0.13 0.00 -0.37 0.00 0.00 57.07 56.05 1ua6 s TYR 23 Cb 0.00 -2.13 0.02 0.00 -0.40 0.00 0.00 41.96 39.45 1ua6 s TYR 23 CO 0.00 -0.32 1.10 -1.54 -1.57 0.00 0.00 175.55 173.22 1ua6 s SER 24 N 1.24 4.94 0.30 2.29 1.04 -1.26 -0.74 113.70 121.51 1ua6 s SER 24 Ca 0.04 1.92 0.05 0.00 0.48 0.00 0.00 55.95 58.44 1ua6 s SER 24 Cb -0.15 -2.54 0.72 0.00 0.10 0.00 0.00 66.02 64.16 1ua6 s SER 24 CO 0.01 -1.74 1.75 0.25 0.98 0.00 0.00 173.24 174.50 1ua6 h LEU 25 N -0.36 0.64 -1.35 2.42 5.85 -1.89 -1.64 115.31 118.99 1ua6 h LEU 25 Ca -0.46 0.11 0.18 0.00 0.84 0.00 0.00 57.88 58.56 1ua6 h LEU 25 Cb 1.24 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.20 1ua6 h LEU 25 CO 0.53 0.19 0.59 1.23 -0.34 0.00 0.00 178.44 180.65 1ua6 h GLY 26 N 0.64 1.15 0.81 3.75 0.00 -1.92 -1.13 103.07 106.38 1ua6 h GLY 26 Ca 0.57 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.68 1ua6 h GLY 26 CO -0.42 0.01 0.48 3.43 0.00 0.00 0.00 176.54 180.04 1ua6 h ASN 27 N 0.56 0.77 0.01 0.19 2.35 -1.52 -0.41 115.58 117.53 1ua6 h ASN 27 Ca 0.49 0.01 -0.20 0.00 -0.55 0.00 0.00 56.30 56.04 1ua6 h ASN 27 Cb 0.99 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.20 1ua6 h ASN 27 CO -0.23 0.52 -0.72 -0.50 -1.65 0.00 0.00 177.43 174.85 1ua6 h TRP 28 N 0.91 0.85 -0.22 1.19 4.06 -1.33 -0.55 115.95 120.86 1ua6 h TRP 28 Ca 0.32 -0.36 -0.07 0.00 2.06 0.00 0.00 58.89 60.84 1ua6 h TRP 28 Cb 0.07 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 28.09 1ua6 h TRP 28 CO -0.04 1.16 -0.13 0.28 -3.56 0.00 0.00 178.44 176.14 1ua6 h VAL 29 N 0.44 1.31 -0.82 1.49 2.07 -1.31 -2.16 116.25 117.28 1ua6 h VAL 29 Ca -0.03 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1ua6 h VAL 29 Cb 1.32 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 32.70 1ua6 h VAL 29 CO 0.14 0.38 0.52 0.00 0.02 0.00 0.00 177.57 178.63 1ua6 h ALA 31 N 1.29 0.38 -0.57 0.00 0.00 -1.00 -2.31 119.26 117.05 1ua6 h ALA 31 Ca 0.30 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1ua6 h ALA 31 Cb -0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1ua6 h ALA 31 CO -0.06 -0.18 0.25 0.00 0.00 0.00 0.00 179.25 179.25 1ua6 h ALA 32 N 1.13 1.37 0.40 0.00 0.00 -0.97 0.15 119.26 121.35 1ua6 h ALA 32 Ca 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ua6 h ALA 32 Cb -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1ua6 h ALA 32 CO -0.05 0.48 -0.19 -0.22 0.00 0.00 0.00 179.25 179.26 1ua6 h LYS 33 N 0.80 -0.52 0.00 0.00 1.63 -0.73 -1.16 116.57 116.59 1ua6 h LYS 33 Ca 0.20 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1ua6 h LYS 33 Cb 0.13 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1ua6 h LYS 33 CO -0.02 -0.35 -0.27 0.74 -3.45 0.00 0.00 179.45 176.10 1ua6 h PHE 34 N -0.54 0.00 0.16 1.91 0.04 -1.29 0.13 116.94 117.34 1ua6 h PHE 34 Ca -0.06 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.37 1ua6 h PHE 34 Cb 0.42 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.57 1ua6 h PHE 34 CO -0.05 0.00 -1.80 0.93 -0.60 0.00 0.00 178.31 176.79 1ua6 h GLU 35 N 0.00 0.33 0.00 1.51 4.39 -0.68 -3.43 114.58 116.69 1ua6 h GLU 35 Ca 0.00 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.14 1ua6 h GLU 35 Cb 0.75 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1ua6 h GLU 35 CO 0.00 1.27 0.00 -1.13 -1.16 0.00 0.00 179.01 177.99 1ua6 n SER 36 N -3.60 0.07 -3.50 1.42 3.41 -0.62 -4.81 113.62 105.98 1ua6 n SER 36 Ca -0.28 -1.03 -0.26 0.00 -0.26 0.00 0.00 58.87 57.05 1ua6 n SER 36 Cb 1.04 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 65.02 1ua6 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ua6 n ASN 37 N -0.01 -5.23 -0.81 4.04 4.05 0.46 -1.53 115.26 116.23 1ua6 n ASN 37 Ca 0.00 -0.52 -0.11 0.00 0.45 0.00 0.00 54.58 54.40 1ua6 n ASN 37 Cb 0.41 -4.20 -0.05 0.00 1.23 0.00 0.00 39.78 37.18 1ua6 n ASN 37 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1ua6 n PHE 38 N -4.54 0.00 -3.55 1.20 3.72 -0.95 -4.83 117.46 108.51 1ua6 n PHE 38 Ca -0.02 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.99 1ua6 n PHE 38 Cb 0.56 -2.22 -0.11 0.00 -0.94 0.00 0.00 39.48 36.77 1ua6 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ua6 s ASN 39 N -2.64 6.03 0.00 4.37 3.04 -0.58 -0.99 114.94 124.16 1ua6 s ASN 39 Ca 0.00 -0.34 0.10 0.00 0.04 0.00 0.00 52.86 52.66 1ua6 s ASN 39 Cb 0.00 -2.13 0.43 0.00 -1.54 0.00 0.00 41.25 38.01 1ua6 s ASN 39 CO 0.00 -0.19 1.32 0.35 -3.04 0.00 0.00 177.10 175.53 1ua6 n THR 40 N 5.09 1.29 0.89 -5.21 -2.24 -0.46 -2.48 114.28 111.15 1ua6 n THR 40 Ca -0.13 0.32 0.09 0.00 -2.27 0.00 0.00 64.05 62.06 1ua6 n THR 40 Cb 0.50 -1.15 -0.07 0.00 -2.10 0.00 0.00 70.33 67.52 1ua6 n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ua6 n GLN 41 N -1.49 1.04 -1.62 -0.78 1.13 -1.26 -4.07 117.38 110.33 1ua6 n GLN 41 Ca 0.03 -0.37 -0.47 0.00 -1.94 0.00 0.00 57.00 54.24 1ua6 n GLN 41 Cb 0.12 -1.39 -0.04 0.00 0.11 0.00 0.00 30.24 29.04 1ua6 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ua6 n ALA 42 N -0.88 0.12 -3.71 -1.58 0.00 -1.03 -4.70 120.51 108.72 1ua6 n ALA 42 Ca 0.05 0.45 -0.13 0.00 0.00 0.00 0.00 53.44 53.81 1ua6 n ALA 42 Cb 0.34 -2.16 -0.13 0.00 0.00 0.00 0.00 19.45 17.50 1ua6 n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ua6 s THR 43 N 0.03 -0.04 -0.06 0.00 -4.23 -1.26 -0.53 115.64 109.55 1ua6 s THR 43 Ca 0.73 0.15 -0.00 0.00 -1.18 0.00 0.00 61.69 61.39 1ua6 s THR 43 Cb -0.77 -0.33 0.02 0.00 1.34 0.00 0.00 72.50 72.77 1ua6 s THR 43 CO 0.49 0.06 -0.03 0.20 -0.54 0.00 0.00 174.62 174.80 1ua6 s ASN 44 N 1.19 1.33 0.23 3.99 -0.87 -0.75 -4.98 114.94 115.09 1ua6 s ASN 44 Ca -0.09 -0.13 -0.27 0.00 -1.57 0.00 0.00 52.86 50.79 1ua6 s ASN 44 Cb -0.10 -0.49 -0.09 0.00 -0.02 0.00 0.00 41.25 40.54 1ua6 s ASN 44 CO -0.07 -0.11 0.88 -0.13 -2.57 0.00 0.00 177.10 175.09 1ua6 s ARG 45 N 1.40 4.70 0.34 -0.60 0.52 -1.26 -0.75 118.95 123.29 1ua6 s ARG 45 Ca -0.03 1.33 0.08 0.00 -0.52 0.00 0.00 55.73 56.58 1ua6 s ARG 45 Cb -0.13 -3.18 -0.03 0.00 0.52 0.00 0.00 34.95 32.13 1ua6 s ARG 45 CO -0.03 0.49 0.27 -0.80 0.02 0.00 0.00 175.30 175.25 1ua6 s ASN 46 N -1.26 5.13 0.37 0.23 0.01 0.17 -4.96 114.94 114.63 1ua6 s ASN 46 Ca 0.41 -0.58 0.05 0.00 -0.71 0.00 0.00 52.86 52.02 1ua6 s ASN 46 Cb -0.23 -0.88 0.71 0.00 0.41 0.00 0.00 41.25 41.25 1ua6 s ASN 46 CO 0.28 -0.37 1.98 0.74 -1.51 0.00 0.00 177.10 178.22 1ua6 h THR 47 N 1.29 1.15 -0.10 1.60 2.02 -1.98 -2.21 112.91 114.70 1ua6 h THR 47 Ca -0.44 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1ua6 h THR 47 Cb 1.25 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1ua6 h THR 47 CO 0.59 0.18 0.00 -0.90 0.37 0.00 0.00 175.52 175.76 1ua6 n ASP 48 N -4.39 0.55 0.00 4.18 5.75 -1.26 -4.87 116.55 116.50 1ua6 n ASP 48 Ca 0.03 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1ua6 n ASP 48 Cb 0.12 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1ua6 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ua6 n GLY 49 N 0.64 1.57 3.95 6.12 0.00 -0.83 -4.80 105.19 111.84 1ua6 n GLY 49 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1ua6 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ua6 s SER 50 N -2.93 4.20 -0.01 1.61 1.04 -1.26 -4.52 113.70 111.83 1ua6 s SER 50 Ca 0.00 0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.50 1ua6 s SER 50 Cb 0.00 -0.48 0.00 0.00 0.10 0.00 0.00 66.02 65.64 1ua6 s SER 50 CO 0.00 -1.98 0.04 -0.89 0.98 0.00 0.00 173.24 171.38 1ua6 s THR 51 N -3.36 0.02 -0.14 2.02 2.01 -1.26 0.46 115.64 115.39 1ua6 s THR 51 Ca 0.66 -0.20 -0.09 0.00 0.31 0.00 0.00 61.69 62.38 1ua6 s THR 51 Cb -0.07 -0.13 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 1ua6 s THR 51 CO 0.47 -0.11 0.15 -1.81 -0.69 0.00 0.00 174.62 172.63 1ua6 s ASP 52 N -0.31 6.35 -0.04 3.53 1.01 0.07 -0.97 116.67 126.30 1ua6 s ASP 52 Ca -0.04 0.42 0.04 0.00 0.71 0.00 0.00 52.55 53.69 1ua6 s ASP 52 Cb -0.02 -2.09 -0.00 0.00 1.01 0.00 0.00 42.92 41.81 1ua6 s ASP 52 CO -0.00 0.32 -0.17 -0.31 0.21 0.00 0.00 175.17 175.22 1ua6 s TYR 53 N -0.54 1.68 0.00 4.23 1.51 0.12 -1.81 117.35 122.54 1ua6 s TYR 53 Ca 0.13 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1ua6 s TYR 53 Cb -0.12 -1.13 0.00 0.00 -0.11 0.00 0.00 41.96 40.60 1ua6 s TYR 53 CO 0.03 -0.15 0.00 0.41 -1.11 0.00 0.00 175.55 174.72 1ua6 n GLY 54 N 3.10 -2.73 0.50 0.71 0.00 0.31 -1.08 105.19 106.00 1ua6 n GLY 54 Ca -0.18 -1.69 0.33 0.00 0.00 0.00 0.00 46.02 44.49 1ua6 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ua6 h ILE 55 N 0.00 0.35 -0.08 -0.61 6.09 -1.70 0.12 117.51 121.68 1ua6 h ILE 55 Ca 0.00 -0.05 -0.01 0.00 -1.37 0.00 0.00 64.86 63.44 1ua6 h ILE 55 Cb 0.00 0.20 -0.00 0.00 0.47 0.00 0.00 36.82 37.49 1ua6 h ILE 55 CO 0.00 0.03 -0.04 0.18 -3.07 0.00 0.00 178.15 175.25 1ua6 n LEU 56 N -4.39 2.84 -4.03 2.19 4.77 -1.26 -4.25 117.00 112.88 1ua6 n LEU 56 Ca 0.29 -3.15 -0.42 0.00 -0.03 0.00 0.00 56.01 52.70 1ua6 n LEU 56 Cb 1.24 -0.47 0.02 0.00 -2.33 0.00 0.00 43.42 41.87 1ua6 n LEU 56 CO 0.33 0.77 -0.19 0.00 -1.33 0.00 0.00 177.39 176.97 1ua6 n GLN 57 N -1.17 -0.51 -2.50 3.23 1.13 0.41 -4.88 117.38 113.10 1ua6 n GLN 57 Ca 0.18 0.22 -0.42 0.00 -1.94 0.00 0.00 57.00 55.04 1ua6 n GLN 57 Cb 0.73 -2.41 -0.03 0.00 0.11 0.00 0.00 30.24 28.63 1ua6 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ua6 s ILE 58 N -3.40 4.32 0.27 5.09 1.01 -0.24 -4.38 121.20 123.87 1ua6 s ILE 58 Ca 0.38 1.65 -0.30 0.00 0.00 0.00 0.00 60.65 62.39 1ua6 s ILE 58 Cb -0.21 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.10 1ua6 s ILE 58 CO 0.96 0.03 1.07 0.21 0.00 0.00 0.00 174.94 177.21 1ua6 s ASN 59 N 1.34 7.33 0.00 3.58 2.47 -1.26 -0.70 114.94 127.70 1ua6 s ASN 59 Ca 0.55 2.22 0.30 0.00 0.42 0.00 0.00 52.86 56.35 1ua6 s ASN 59 Cb -0.24 -2.62 1.52 0.00 -1.45 0.00 0.00 41.25 38.45 1ua6 s ASN 59 CO 0.23 -0.09 2.01 -1.54 -3.72 0.00 0.00 177.10 173.99 1ua6 n SER 60 N 1.24 0.51 -0.01 -4.21 3.41 -0.15 -1.95 113.62 112.46 1ua6 n SER 60 Ca -0.01 -1.02 -0.05 0.00 -0.26 0.00 0.00 58.87 57.52 1ua6 n SER 60 Cb 0.45 -0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 64.25 1ua6 n SER 60 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1ua6 n ARG 61 N -0.67 0.64 -0.00 4.33 0.63 -1.26 -4.55 116.66 115.77 1ua6 n ARG 61 Ca 0.20 0.22 -0.00 0.00 -0.92 0.00 0.00 57.85 57.35 1ua6 n ARG 61 Cb 0.22 -1.76 -0.00 0.00 0.45 0.00 0.00 32.46 31.37 1ua6 n ARG 61 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 1ua6 n TRP 62 N -2.94 0.00 -0.12 -0.14 7.02 -1.24 -1.77 117.44 118.26 1ua6 n TRP 62 Ca -0.16 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.15 1ua6 n TRP 62 Cb 0.98 -0.03 -0.11 0.00 -2.42 0.00 0.00 31.31 29.74 1ua6 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1ua6 n TRP 63 N -2.30 0.00 -4.25 -5.99 7.02 -0.82 0.09 117.44 111.19 1ua6 n TRP 63 Ca -0.01 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.31 1ua6 n TRP 63 Cb 0.52 -0.91 -0.10 0.00 -2.42 0.00 0.00 31.31 28.40 1ua6 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ua6 s ASN 65 N -2.86 6.06 0.00 0.00 2.47 -0.65 -4.21 114.94 115.75 1ua6 s ASN 65 Ca 0.13 0.06 0.09 0.00 0.42 0.00 0.00 52.86 53.56 1ua6 s ASN 65 Cb -0.01 -2.11 0.12 0.00 -1.45 0.00 0.00 41.25 37.80 1ua6 s ASN 65 CO 0.02 0.02 0.89 -0.90 -3.72 0.00 0.00 177.10 173.41 1ua6 n ASP 66 N 4.61 2.00 0.00 -4.21 5.75 -1.26 -1.81 116.55 121.63 1ua6 n ASP 66 Ca -0.15 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 1ua6 n ASP 66 Cb 0.52 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1ua6 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ua6 n GLY 67 N 0.46 0.27 0.05 6.12 0.00 -1.26 -4.74 105.19 106.08 1ua6 n GLY 67 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.10 1ua6 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ua6 n ARG 68 N -1.58 1.73 -3.94 1.61 1.85 -1.26 -5.02 116.66 110.05 1ua6 n ARG 68 Ca 0.00 -1.34 -0.35 0.00 -1.00 0.00 0.00 57.85 55.16 1ua6 n ARG 68 Cb 0.08 -0.90 -0.13 0.00 -1.05 0.00 0.00 32.46 30.47 1ua6 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ua6 s THR 69 N -0.91 3.87 0.28 8.89 2.01 -1.26 -4.89 115.64 123.62 1ua6 s THR 69 Ca 0.04 -0.33 -0.29 0.00 0.31 0.00 0.00 61.69 61.42 1ua6 s THR 69 Cb 0.04 -2.77 -0.10 0.00 0.01 0.00 0.00 72.50 69.68 1ua6 s THR 69 CO 0.00 0.40 1.33 -2.16 -0.69 0.00 0.00 174.62 173.51 1ua6 s PRO 70 N 1.32 4.35 -0.97 4.92 0.04 -1.26 -3.55 135.00 139.86 1ua6 s PRO 70 Ca 0.04 2.18 -0.05 0.00 0.04 0.00 0.00 61.00 63.22 1ua6 s PRO 70 Cb -0.15 -3.11 0.01 0.00 0.04 0.00 0.00 34.50 31.29 1ua6 s PRO 70 CO 0.01 -0.24 0.63 0.41 0.04 0.00 0.00 177.00 177.85 1ua6 n GLY 71 N 1.51 -0.08 3.80 0.56 0.00 -1.26 -4.98 105.19 104.74 1ua6 n GLY 71 Ca 0.03 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1ua6 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ua6 s SER 72 N -3.04 6.95 -0.02 1.61 1.04 -1.23 -4.86 113.70 114.15 1ua6 s SER 72 Ca 0.31 1.83 0.09 0.00 0.48 0.00 0.00 55.95 58.66 1ua6 s SER 72 Cb -0.14 -2.56 -0.13 0.00 0.10 0.00 0.00 66.02 63.29 1ua6 s SER 72 CO 0.39 -0.35 0.18 0.54 0.98 0.00 0.00 173.24 174.97 1ua6 n ARG 73 N -0.23 0.56 -3.95 4.02 1.74 -0.73 -5.00 116.66 113.08 1ua6 n ARG 73 Ca 0.05 -0.07 -0.26 0.00 -0.77 0.00 0.00 57.85 56.80 1ua6 n ARG 73 Cb 0.52 -1.21 -0.02 0.00 -1.02 0.00 0.00 32.46 30.73 1ua6 n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ua6 n ASN 74 N -1.87 -0.69 -0.35 0.55 4.05 -1.06 -4.86 115.26 111.03 1ua6 n ASN 74 Ca -0.03 -0.99 0.10 0.00 0.45 0.00 0.00 54.58 54.12 1ua6 n ASN 74 Cb 0.30 -3.13 0.29 0.00 1.23 0.00 0.00 39.78 38.47 1ua6 n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1ua6 h LEU 75 N -1.82 0.84 0.00 1.20 3.38 -0.30 0.32 115.31 118.92 1ua6 h LEU 75 Ca -0.63 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1ua6 h LEU 75 Cb 1.37 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1ua6 h LEU 75 CO 0.63 0.38 0.00 0.00 0.09 0.00 0.00 178.44 179.54 1ua6 n ASN 77 N -0.91 -5.12 -3.59 0.00 4.05 0.11 -4.98 115.26 104.83 1ua6 n ASN 77 Ca 0.18 -0.98 -0.12 0.00 0.45 0.00 0.00 54.58 54.11 1ua6 n ASN 77 Cb 0.08 -2.56 -0.06 0.00 1.23 0.00 0.00 39.78 38.47 1ua6 n ASN 77 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1ua6 s ILE 78 N -3.28 0.00 0.14 -1.44 2.07 -1.26 -5.08 121.20 112.36 1ua6 s ILE 78 Ca 0.28 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.21 1ua6 s ILE 78 Cb -0.13 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.39 1ua6 s ILE 78 CO 0.89 0.00 1.21 -2.16 -1.91 0.00 0.00 174.94 172.97 1ua6 s PRO 79 N -0.54 4.46 0.46 3.50 0.04 -1.26 -1.64 135.00 140.01 1ua6 s PRO 79 Ca -0.02 1.86 0.21 0.00 0.04 0.00 0.00 61.00 63.09 1ua6 s PRO 79 Cb -0.02 -3.27 1.20 0.00 0.04 0.00 0.00 34.50 32.45 1ua6 s PRO 79 CO 0.01 -0.16 1.88 0.00 0.04 0.00 0.00 177.00 178.77 1ua6 n SER 81 N -4.44 0.56 -0.64 0.00 3.41 -1.26 -1.32 113.62 109.93 1ua6 n SER 81 Ca 0.18 0.74 0.12 0.00 -0.26 0.00 0.00 58.87 59.65 1ua6 n SER 81 Cb 0.74 -0.82 0.39 0.00 -0.26 0.00 0.00 64.21 64.25 1ua6 n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ua6 n ALA 82 N -1.77 2.53 -1.29 7.33 0.00 0.11 -3.93 120.51 123.49 1ua6 n ALA 82 Ca -0.01 -0.56 -0.05 0.00 0.00 0.00 0.00 53.44 52.82 1ua6 n ALA 82 Cb 0.07 -1.06 0.22 0.00 0.00 0.00 0.00 19.45 18.67 1ua6 n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ua6 n LEU 83 N 0.51 4.72 -0.36 0.00 4.77 -0.43 -4.47 117.00 121.74 1ua6 n LEU 83 Ca 0.17 -3.55 0.04 0.00 -0.03 0.00 0.00 56.01 52.65 1ua6 n LEU 83 Cb 0.40 -0.66 0.11 0.00 -2.33 0.00 0.00 43.42 40.94 1ua6 n LEU 83 CO 0.15 1.07 0.58 0.18 -1.33 0.00 0.00 177.39 178.04 1ua6 n LEU 84 N -0.91 2.63 -4.85 2.23 4.32 -1.25 -4.06 117.00 115.11 1ua6 n LEU 84 Ca 0.36 -2.29 -0.31 0.00 -0.02 0.00 0.00 56.01 53.76 1ua6 n LEU 84 Cb 1.15 -0.21 0.04 0.00 -1.62 0.00 0.00 43.42 42.77 1ua6 n LEU 84 CO 0.28 0.63 0.72 -0.55 -1.22 0.00 0.00 177.39 177.25 1ua6 s SER 85 N -1.38 5.69 0.13 -1.43 0.15 -1.26 -4.56 113.70 111.03 1ua6 s SER 85 Ca 0.18 1.44 0.24 0.00 0.70 0.00 0.00 55.95 58.51 1ua6 s SER 85 Cb 0.13 -2.37 0.93 0.00 -1.71 0.00 0.00 66.02 62.99 1ua6 s SER 85 CO 0.07 -1.22 1.74 -1.20 1.20 0.00 0.00 173.24 173.84 1ua6 n SER 86 N -2.97 0.41 -4.63 5.45 7.64 -1.26 -4.52 113.62 113.74 1ua6 n SER 86 Ca 0.07 0.56 -0.41 0.00 1.01 0.00 0.00 58.87 60.10 1ua6 n SER 86 Cb 0.54 -0.66 -0.06 0.00 -1.01 0.00 0.00 64.21 63.02 1ua6 n SER 86 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ua6 s ASP 87 N -3.77 6.60 0.00 6.43 -1.08 -1.26 -4.95 116.67 118.64 1ua6 s ASP 87 Ca 0.09 0.73 0.26 0.00 -0.52 0.00 0.00 52.55 53.11 1ua6 s ASP 87 Cb 0.13 -2.34 1.39 0.00 -1.46 0.00 0.00 42.92 40.64 1ua6 s ASP 87 CO 0.47 -0.36 1.91 2.30 0.52 0.00 0.00 175.17 180.01 1ua6 n ILE 88 N 5.14 0.02 -0.11 4.11 -5.35 -1.26 -4.40 119.36 117.51 1ua6 n ILE 88 Ca -0.00 -0.07 -0.13 0.00 -0.27 0.00 0.00 62.75 62.27 1ua6 n ILE 88 Cb 0.49 -0.19 -0.08 0.00 -1.74 0.00 0.00 39.64 38.11 1ua6 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ua6 h THR 89 N 0.58 0.03 -0.73 7.28 2.02 -1.94 -0.93 112.91 119.22 1ua6 h THR 89 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1ua6 h THR 89 Cb 0.13 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.52 1ua6 h THR 89 CO 0.00 0.00 0.46 0.00 0.37 0.00 0.00 175.52 176.35 1ua6 h ALA 90 N 0.04 0.95 -0.45 6.16 0.00 -1.90 -1.41 119.26 122.64 1ua6 h ALA 90 Ca 0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1ua6 h ALA 90 Cb 0.61 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1ua6 h ALA 90 CO -0.56 0.25 -0.12 0.77 0.00 0.00 0.00 179.25 179.59 1ua6 h SER 91 N 0.90 0.82 -0.28 0.00 0.02 -1.77 -2.22 113.55 111.02 1ua6 h SER 91 Ca 0.29 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1ua6 h SER 91 Cb 0.01 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1ua6 h SER 91 CO -0.11 0.96 -0.02 0.58 -1.14 0.00 0.00 176.83 177.10 1ua6 h VAL 92 N 0.74 1.26 -0.49 2.27 2.07 -0.76 0.21 116.25 121.56 1ua6 h VAL 92 Ca 0.12 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.74 1ua6 h VAL 92 Cb 0.62 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 1ua6 h VAL 92 CO 0.04 0.31 0.15 0.78 0.02 0.00 0.00 177.57 178.87 1ua6 h ASN 93 N 0.29 0.12 -0.36 0.57 2.35 -1.15 -0.70 115.58 116.69 1ua6 h ASN 93 Ca 0.08 0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.73 1ua6 h ASN 93 Cb 0.46 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1ua6 h ASN 93 CO 0.02 0.10 -0.40 0.00 -1.65 0.00 0.00 177.43 175.50 1ua6 h ALA 95 N 0.79 1.39 -0.69 0.00 0.00 -0.46 0.40 119.26 120.68 1ua6 h ALA 95 Ca 0.06 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1ua6 h ALA 95 Cb 0.99 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1ua6 h ALA 95 CO 0.10 0.55 0.23 0.87 0.00 0.00 0.00 179.25 181.00 1ua6 h LYS 96 N 1.10 1.05 -0.44 0.00 1.57 -1.06 0.34 116.57 119.13 1ua6 h LYS 96 Ca 0.29 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 1ua6 h LYS 96 Cb -0.09 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1ua6 h LYS 96 CO -0.06 0.89 -0.24 -0.22 -0.57 0.00 0.00 179.45 179.25 1ua6 h LYS 97 N 1.02 0.94 0.29 3.15 3.64 -1.17 -2.38 116.57 122.06 1ua6 h LYS 97 Ca 0.23 -0.42 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 1ua6 h LYS 97 Cb 0.27 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1ua6 h LYS 97 CO -0.01 1.09 -0.21 0.82 -2.27 0.00 0.00 179.45 178.87 1ua6 h ILE 98 N 0.78 0.56 0.00 2.00 2.04 -0.44 -2.37 117.51 120.08 1ua6 h ILE 98 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1ua6 h ILE 98 Cb 0.82 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1ua6 h ILE 98 CO 0.07 0.00 0.00 0.55 0.00 0.00 0.00 178.15 178.77 1ua6 n VAL 99 N -5.33 0.91 1.87 1.67 3.14 0.06 -1.75 118.33 118.90 1ua6 n VAL 99 Ca -0.09 0.42 0.15 0.00 -2.96 0.00 0.00 64.34 61.85 1ua6 n VAL 99 Cb 0.24 -1.37 0.83 0.00 -1.06 0.00 0.00 33.84 32.47 1ua6 n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1ua6 n SER 100 N -2.25 0.37 -4.92 6.55 7.64 -0.89 -4.05 113.62 116.06 1ua6 n SER 100 Ca 0.01 -1.14 -0.27 0.00 1.01 0.00 0.00 58.87 58.47 1ua6 n SER 100 Cb 0.16 -0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.41 1ua6 n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ua6 s ASP 101 N -1.97 5.20 0.62 6.43 2.15 -0.72 -4.96 116.67 123.41 1ua6 s ASP 101 Ca 0.45 0.68 0.36 0.00 0.43 0.00 0.00 52.55 54.46 1ua6 s ASP 101 Cb 0.21 -1.48 2.04 0.00 -0.30 0.00 0.00 42.92 43.40 1ua6 s ASP 101 CO 0.35 -1.36 2.29 1.23 -0.17 0.00 0.00 175.17 177.50 1ua6 h GLY 102 N -0.46 0.00 1.82 2.66 0.00 -1.88 -2.58 103.07 102.63 1ua6 h GLY 102 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1ua6 h GLY 102 CO 0.61 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.14 1ua6 n ASN 103 N -3.49 0.00 0.00 0.19 4.05 -1.26 -4.98 115.26 109.77 1ua6 n ASN 103 Ca -0.03 0.27 0.00 0.00 0.45 0.00 0.00 54.58 55.27 1ua6 n ASN 103 Cb 0.10 -0.41 0.00 0.00 1.23 0.00 0.00 39.78 40.70 1ua6 n ASN 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ua6 n GLY 104 N 0.67 2.29 0.00 8.20 0.00 -0.98 -1.67 105.19 113.70 1ua6 n GLY 104 Ca 0.07 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.85 1ua6 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ua6 n MET 105 N 11.55 0.54 0.17 1.61 2.81 -1.26 -3.43 117.12 129.10 1ua6 n MET 105 Ca 0.00 0.01 0.12 0.00 -1.81 0.00 0.00 57.70 56.02 1ua6 n MET 105 Cb 0.00 -1.50 0.62 0.00 -0.71 0.00 0.00 33.22 31.63 1ua6 n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1ua6 h ASN 106 N 0.00 0.00 0.25 7.83 2.35 -1.73 0.28 115.58 124.55 1ua6 h ASN 106 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1ua6 h ASN 106 Cb 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 1ua6 h ASN 106 CO 0.00 0.00 -0.16 0.00 -1.65 0.00 0.00 177.43 175.62 1ua6 h ALA 107 N 2.01 1.51 -1.78 -0.83 0.00 -1.70 -3.36 119.26 115.12 1ua6 h ALA 107 Ca 0.00 -0.14 -0.66 0.00 0.00 0.00 0.00 54.91 54.11 1ua6 h ALA 107 Cb 0.02 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.62 1ua6 h ALA 107 CO 0.00 0.20 0.50 -1.58 0.00 0.00 0.00 179.25 178.37 1ua6 s TRP 108 N -4.45 2.85 0.24 0.00 0.51 0.08 -4.92 118.94 113.25 1ua6 s TRP 108 Ca -0.04 -0.83 -0.05 0.00 -2.12 0.00 0.00 56.10 53.06 1ua6 s TRP 108 Cb 0.15 -4.22 0.42 0.00 -0.81 0.00 0.00 33.47 29.01 1ua6 s TRP 108 CO 0.65 -1.53 1.74 0.28 -0.51 0.00 0.00 176.95 177.58 1ua6 h VAL 109 N 5.92 0.70 -0.34 4.03 2.07 -1.84 0.78 116.25 127.57 1ua6 h VAL 109 Ca -0.19 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 1ua6 h VAL 109 Cb 1.06 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1ua6 h VAL 109 CO 1.14 0.09 -0.19 0.00 0.02 0.00 0.00 177.57 178.63 1ua6 h ALA 110 N 1.52 1.02 -0.31 1.67 0.00 -1.91 0.51 119.26 121.75 1ua6 h ALA 110 Ca 0.40 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1ua6 h ALA 110 Cb 0.56 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ua6 h ALA 110 CO -0.37 0.59 -0.03 2.35 0.00 0.00 0.00 179.25 181.78 1ua6 h TRP 111 N 0.58 0.63 -0.75 0.00 7.01 -1.59 0.33 115.95 122.14 1ua6 h TRP 111 Ca 0.09 -0.12 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 1ua6 h TRP 111 Cb 0.65 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.52 1ua6 h TRP 111 CO 0.03 0.72 0.46 -0.09 -2.79 0.00 0.00 178.44 176.77 1ua6 h ARG 112 N 0.35 1.02 0.00 2.65 2.43 -0.55 0.43 114.38 120.71 1ua6 h ARG 112 Ca 0.08 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 59.00 1ua6 h ARG 112 Cb 0.49 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1ua6 h ARG 112 CO 0.02 0.71 -0.96 -0.91 -1.51 0.00 0.00 179.97 177.32 1ua6 h ASN 113 N 1.03 0.00 0.00 -3.80 -0.26 -0.76 -3.36 115.58 108.42 1ua6 h ASN 113 Ca 0.27 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.01 1ua6 h ASN 113 Cb -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1ua6 h ASN 113 CO -0.05 0.67 -0.31 0.54 -1.06 0.00 0.00 177.43 177.22 1ua6 n ARG 114 N -3.14 5.02 -0.02 0.81 5.12 0.11 -4.89 116.66 119.67 1ua6 n ARG 114 Ca -0.03 -0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.85 1ua6 n ARG 114 Cb 0.83 -0.69 -0.02 0.00 -1.16 0.00 0.00 32.46 31.43 1ua6 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ua6 n LYS 116 N -2.97 2.45 -0.04 0.00 4.81 -0.22 -0.87 118.16 121.32 1ua6 n LYS 116 Ca -0.07 0.89 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1ua6 n LYS 116 Cb 0.56 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.87 1ua6 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ua6 n GLY 117 N 4.09 0.73 3.94 3.14 0.00 -1.26 -4.91 105.19 110.91 1ua6 n GLY 117 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 1ua6 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ua6 s THR 118 N -2.29 2.84 -1.26 2.61 -4.23 -0.05 -5.00 115.64 108.26 1ua6 s THR 118 Ca 0.00 -1.18 -0.19 0.00 -1.18 0.00 0.00 61.69 59.14 1ua6 s THR 118 Cb 0.00 -3.01 0.01 0.00 1.34 0.00 0.00 72.50 70.84 1ua6 s THR 118 CO 0.00 -0.00 1.83 -0.67 -0.54 0.00 0.00 174.62 175.24 1ua6 n ASP 119 N -1.69 4.20 0.29 3.99 2.03 -1.26 -4.78 116.55 119.33 1ua6 n ASP 119 Ca 0.06 -2.84 0.13 0.00 0.52 0.00 0.00 54.79 52.66 1ua6 n ASP 119 Cb 0.60 -1.72 0.84 0.00 -0.72 0.00 0.00 41.12 40.12 1ua6 n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1ua6 h VAL 120 N 5.65 0.61 0.00 5.18 -1.51 -1.91 -1.59 116.25 122.69 1ua6 h VAL 120 Ca 0.38 -0.10 -0.00 0.00 -1.23 0.00 0.00 66.70 65.74 1ua6 h VAL 120 Cb 0.87 1.06 -0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1ua6 h VAL 120 CO 1.42 0.03 -0.01 -0.61 -1.23 0.00 0.00 177.57 177.16 1ua6 h GLN 121 N 0.00 0.00 0.00 5.19 5.75 -1.88 -1.40 115.11 122.77 1ua6 h GLN 121 Ca -0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1ua6 h GLN 121 Cb 0.06 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 1ua6 h GLN 121 CO 0.00 0.01 -0.07 0.00 -2.65 0.00 0.00 178.83 176.13 1ua6 h ALA 122 N 1.99 1.58 0.00 3.38 0.00 -1.68 -1.96 119.26 122.57 1ua6 h ALA 122 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ua6 h ALA 122 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ua6 h ALA 122 CO 0.00 0.08 0.00 0.91 0.00 0.00 0.00 179.25 180.24 1ua6 n TRP 123 N -4.01 0.81 0.24 0.00 7.02 -0.53 -3.20 117.44 117.78 1ua6 n TRP 123 Ca -0.03 0.30 0.02 0.00 -1.02 0.00 0.00 57.50 56.78 1ua6 n TRP 123 Cb 0.15 -0.98 -0.03 0.00 -2.42 0.00 0.00 31.31 28.03 1ua6 n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1ua6 n ILE 124 N -2.22 0.00 -2.19 -0.99 -5.35 -0.78 -4.79 119.36 103.04 1ua6 n ILE 124 Ca 0.03 -0.38 -0.36 0.00 -0.27 0.00 0.00 62.75 61.77 1ua6 n ILE 124 Cb 0.27 1.00 0.01 0.00 -1.74 0.00 0.00 39.64 39.18 1ua6 n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1ua6 s ARG 125 N -1.48 3.34 -0.69 6.28 0.52 -0.96 -3.03 118.95 122.93 1ua6 s ARG 125 Ca 0.02 1.71 0.00 0.00 -0.52 0.00 0.00 55.73 56.94 1ua6 s ARG 125 Cb 0.04 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.44 1ua6 s ARG 125 CO 0.21 -0.88 0.00 0.41 0.02 0.00 0.00 175.30 175.06 1ua6 n GLY 126 N 0.31 0.81 3.35 -3.53 0.00 -1.26 -5.02 105.19 99.84 1ua6 n GLY 126 Ca 0.11 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 1ua6 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ua6 s ARG 128 N -1.42 4.05 0.00 0.00 1.81 -1.26 -5.13 118.95 117.00 1ua6 s ARG 128 Ca 0.12 0.48 0.25 0.00 -1.72 0.00 0.00 55.73 54.86 1ua6 s ARG 128 Cb -0.10 -3.67 0.37 0.00 -0.45 0.00 0.00 34.95 31.10 1ua6 s ARG 128 CO 0.03 -0.46 1.36 1.28 -0.68 0.00 0.00 175.30 176.83