#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sf6 s VAL 2 N 0.00 2.59 -0.16 3.15 1.01 -1.26 -4.05 120.40 121.69 1sf6 s VAL 2 Ca 0.00 -2.03 -0.06 0.00 0.00 0.00 0.00 61.98 59.89 1sf6 s VAL 2 Cb 0.00 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1sf6 s VAL 2 CO 0.00 -0.46 0.04 -0.36 0.00 0.00 0.00 175.10 174.32 1sf6 s PHE 3 N 1.04 3.23 0.76 5.22 0.40 -1.18 -5.06 117.98 122.39 1sf6 s PHE 3 Ca 0.05 0.08 -0.08 0.00 -0.60 0.00 0.00 56.93 56.38 1sf6 s PHE 3 Cb -0.20 -2.00 0.10 0.00 0.51 0.00 0.00 43.02 41.43 1sf6 s PHE 3 CO -0.06 0.23 1.08 0.20 0.70 0.00 0.00 175.22 177.37 1sf6 s GLY 4 N 0.03 1.72 0.31 4.36 0.00 -1.26 -4.81 107.32 107.66 1sf6 s GLY 4 Ca 0.05 -1.12 0.08 0.00 0.00 0.00 0.00 44.72 43.72 1sf6 s GLY 4 CO 0.01 -0.61 1.73 -0.09 0.00 0.00 0.00 173.10 174.15 1sf6 h ARG 5 N -0.81 0.57 -0.23 2.90 2.43 -2.01 -1.88 114.38 115.35 1sf6 h ARG 5 Ca -0.43 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1sf6 h ARG 5 Cb 1.29 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1sf6 h ARG 5 CO 0.52 0.38 0.00 0.00 -1.51 0.00 0.00 179.97 179.36 1sf6 n GLU 7 N -0.22 2.33 0.04 0.00 -0.58 -0.71 -4.72 120.64 116.77 1sf6 n GLU 7 Ca 0.15 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 57.00 1sf6 n GLU 7 Cb 0.61 -0.83 -0.05 0.00 -0.57 0.00 0.00 31.44 30.61 1sf6 n GLU 7 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1sf6 n LEU 8 N -1.32 0.51 0.04 -4.62 0.00 -1.19 -4.54 117.00 105.89 1sf6 n LEU 8 Ca 0.00 0.07 0.11 0.00 0.00 0.00 0.00 56.01 56.19 1sf6 n LEU 8 Cb 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 43.42 43.28 1sf6 n LEU 8 CO 0.00 -0.03 -0.39 0.00 0.00 0.00 0.00 177.39 176.97 1sf6 n ALA 9 N -2.05 2.66 0.47 1.96 0.00 -1.26 -4.28 120.51 118.00 1sf6 n ALA 9 Ca -0.00 -0.39 0.07 0.00 0.00 0.00 0.00 53.44 53.12 1sf6 n ALA 9 Cb 0.51 -0.92 0.31 0.00 0.00 0.00 0.00 19.45 19.35 1sf6 n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sf6 n ALA 10 N -2.23 1.63 1.22 0.00 0.00 -1.26 -2.21 120.51 117.66 1sf6 n ALA 10 Ca -0.02 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.52 1sf6 n ALA 10 Cb 0.57 -1.24 0.51 0.00 0.00 0.00 0.00 19.45 19.29 1sf6 n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sf6 n ALA 11 N -1.52 2.89 -0.20 0.00 0.00 -1.26 -3.66 120.51 116.75 1sf6 n ALA 11 Ca 0.03 -0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.12 1sf6 n ALA 11 Cb 0.17 -1.29 0.02 0.00 0.00 0.00 0.00 19.45 18.34 1sf6 n ALA 11 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1sf6 h MET 12 N 0.40 0.96 0.00 0.00 2.86 -1.71 -2.67 114.93 114.77 1sf6 h MET 12 Ca 0.00 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1sf6 h MET 12 Cb 0.43 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1sf6 h MET 12 CO 0.00 0.92 -0.04 -0.22 1.06 0.00 0.00 176.91 178.63 1sf6 h LYS 13 N 0.86 0.00 -0.00 1.72 3.64 -1.78 -1.97 116.57 119.04 1sf6 h LYS 13 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1sf6 h LYS 13 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1sf6 h LYS 13 CO 0.01 0.04 -0.08 -2.13 -2.27 0.00 0.00 179.45 175.01 1sf6 n ARG 14 N -3.17 0.47 -0.05 1.90 0.63 -1.01 -3.71 116.66 111.72 1sf6 n ARG 14 Ca -0.00 -0.11 0.02 0.00 -0.92 0.00 0.00 57.85 56.85 1sf6 n ARG 14 Cb 0.28 -1.50 0.05 0.00 0.45 0.00 0.00 32.46 31.74 1sf6 n ARG 14 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1sf6 n HIS 15 N -1.17 0.13 -0.50 -0.14 8.25 -0.75 -5.01 115.22 116.03 1sf6 n HIS 15 Ca 0.13 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1sf6 n HIS 15 Cb 0.28 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.36 1sf6 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sf6 n GLY 16 N 0.06 0.75 0.08 -1.41 0.00 -1.21 -4.93 105.19 98.53 1sf6 n GLY 16 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 1sf6 n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sf6 n LEU 17 N 0.00 0.38 -4.64 0.99 4.77 -1.15 -4.24 117.00 113.10 1sf6 n LEU 17 Ca 0.00 0.61 -0.43 0.00 -0.03 0.00 0.00 56.01 56.17 1sf6 n LEU 17 Cb 0.00 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.48 1sf6 n LEU 17 CO 0.00 -0.53 1.32 -0.62 -1.33 0.00 0.00 177.39 176.23 1sf6 s ASP 18 N -3.70 6.55 -1.61 -1.43 2.15 -1.26 -2.92 116.67 114.45 1sf6 s ASP 18 Ca 0.03 1.80 -0.14 0.00 0.43 0.00 0.00 52.55 54.67 1sf6 s ASP 18 Cb 0.08 -2.53 0.11 0.00 -0.30 0.00 0.00 42.92 40.27 1sf6 s ASP 18 CO 0.27 -1.09 0.76 0.59 -0.17 0.00 0.00 175.17 175.53 1sf6 n ASN 19 N 7.79 -3.00 -4.69 -0.34 3.02 -1.25 -4.83 115.26 111.95 1sf6 n ASN 19 Ca 0.18 -0.96 -0.37 0.00 -0.03 0.00 0.00 54.58 53.39 1sf6 n ASN 19 Cb 0.44 -3.07 -0.07 0.00 -0.61 0.00 0.00 39.78 36.47 1sf6 n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1sf6 s TYR 20 N -3.43 3.41 -1.43 3.10 5.04 -1.15 -4.36 117.35 118.54 1sf6 s TYR 20 Ca 0.57 0.62 -0.10 0.00 -2.44 0.00 0.00 57.07 55.71 1sf6 s TYR 20 Cb -0.30 -2.45 0.04 0.00 0.35 0.00 0.00 41.96 39.60 1sf6 s TYR 20 CO 0.90 0.10 1.06 -2.13 -1.34 0.00 0.00 175.55 174.14 1sf6 n ARG 21 N 4.07 -6.66 0.00 4.97 0.63 -1.26 -3.36 116.66 115.05 1sf6 n ARG 21 Ca -0.10 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 1sf6 n ARG 21 Cb 0.51 -5.67 0.00 0.00 0.45 0.00 0.00 32.46 27.75 1sf6 n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1sf6 n GLY 22 N -1.81 2.72 3.77 5.14 0.00 -1.26 -5.06 105.19 108.69 1sf6 n GLY 22 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1sf6 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sf6 s TYR 23 N -2.09 3.59 0.26 1.61 2.02 -1.21 -5.02 117.35 116.51 1sf6 s TYR 23 Ca 0.00 0.88 -0.29 0.00 -0.37 0.00 0.00 57.07 57.28 1sf6 s TYR 23 Cb 0.00 -2.41 -0.09 0.00 -0.40 0.00 0.00 41.96 39.06 1sf6 s TYR 23 CO 0.00 0.38 1.15 0.45 -1.57 0.00 0.00 175.55 175.96 1sf6 s SER 24 N -0.10 7.16 0.00 2.29 0.15 -1.26 -3.19 113.70 118.75 1sf6 s SER 24 Ca 0.23 2.32 0.16 0.00 0.70 0.00 0.00 55.95 59.36 1sf6 s SER 24 Cb -0.15 -2.63 0.85 0.00 -1.71 0.00 0.00 66.02 62.38 1sf6 s SER 24 CO 0.10 -0.25 1.44 -0.11 1.20 0.00 0.00 173.24 175.62 1sf6 n LEU 25 N 1.45 0.00 0.06 3.45 7.94 -1.25 -0.89 117.00 127.76 1sf6 n LEU 25 Ca 0.00 0.21 -0.11 0.00 -1.11 0.00 0.00 56.01 55.00 1sf6 n LEU 25 Cb 0.44 -0.21 -0.00 0.00 0.53 0.00 0.00 43.42 44.18 1sf6 n LEU 25 CO 0.55 -0.10 0.28 1.23 -1.11 0.00 0.00 177.39 178.24 1sf6 h GLY 26 N 2.61 0.43 2.00 -3.96 0.00 -1.90 -3.21 103.07 99.04 1sf6 h GLY 26 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1sf6 h GLY 26 CO 0.00 0.59 0.00 3.43 0.00 0.00 0.00 176.54 180.56 1sf6 h ASN 27 N 0.24 0.00 0.04 0.19 2.35 -1.35 -3.36 115.58 113.70 1sf6 h ASN 27 Ca -0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1sf6 h ASN 27 Cb 1.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.79 1sf6 h ASN 27 CO 0.14 0.00 -0.02 -0.50 -1.65 0.00 0.00 177.43 175.40 1sf6 h TRP 28 N 0.00 -0.05 -0.97 1.19 4.06 -1.62 -3.41 115.95 115.16 1sf6 h TRP 28 Ca 0.00 -0.00 0.23 0.00 2.06 0.00 0.00 58.89 61.18 1sf6 h TRP 28 Cb 0.30 0.01 -0.08 0.00 -1.00 0.00 0.00 29.16 28.40 1sf6 h TRP 28 CO 0.00 0.45 0.64 0.28 -3.56 0.00 0.00 178.44 176.25 1sf6 h VAL 29 N -0.97 0.61 -0.13 1.49 2.07 -1.74 -2.98 116.25 114.60 1sf6 h VAL 29 Ca -0.00 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.43 1sf6 h VAL 29 Cb 0.52 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 1sf6 h VAL 29 CO 0.01 0.07 -0.28 0.00 0.02 0.00 0.00 177.57 177.39 1sf6 h ALA 31 N 0.53 2.37 -0.96 0.00 0.00 -1.81 -2.09 119.26 117.30 1sf6 h ALA 31 Ca 0.10 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1sf6 h ALA 31 Cb 0.50 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1sf6 h ALA 31 CO -0.33 -0.69 0.62 0.00 0.00 0.00 0.00 179.25 178.85 1sf6 h ALA 32 N 1.63 1.48 0.00 0.00 0.00 -1.67 0.40 119.26 121.10 1sf6 h ALA 32 Ca 0.24 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1sf6 h ALA 32 Cb 1.09 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1sf6 h ALA 32 CO -0.00 0.36 -0.08 -0.22 0.00 0.00 0.00 179.25 179.31 1sf6 h LYS 33 N 1.08 0.00 0.00 0.00 1.63 -1.55 -2.49 116.57 115.23 1sf6 h LYS 33 Ca 0.42 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 60.15 1sf6 h LYS 33 Cb 0.24 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 1sf6 h LYS 33 CO -0.17 0.08 -1.30 1.19 -3.45 0.00 0.00 179.45 175.80 1sf6 n PHE 34 N -3.47 0.86 -0.09 1.91 3.72 0.12 -3.33 117.46 117.19 1sf6 n PHE 34 Ca -0.02 0.27 -0.22 0.00 -0.05 0.00 0.00 57.45 57.43 1sf6 n PHE 34 Cb 0.22 -0.97 -0.12 0.00 -0.94 0.00 0.00 39.48 37.68 1sf6 n PHE 34 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1sf6 h GLU 35 N 0.00 0.03 0.00 -1.08 4.39 -0.62 -3.44 114.58 113.87 1sf6 h GLU 35 Ca -0.08 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1sf6 h GLU 35 Cb 1.26 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1sf6 h GLU 35 CO 0.02 1.03 0.00 0.43 -1.16 0.00 0.00 179.01 179.32 1sf6 n SER 36 N -4.34 0.52 -3.43 1.42 7.64 -1.11 -4.81 113.62 109.51 1sf6 n SER 36 Ca -0.31 -1.16 -0.22 0.00 1.01 0.00 0.00 58.87 58.19 1sf6 n SER 36 Cb 0.72 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.97 1sf6 n SER 36 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1sf6 n ASN 37 N -0.08 -6.13 -2.22 6.43 5.15 -1.05 -2.77 115.26 114.59 1sf6 n ASN 37 Ca 0.00 -0.83 -0.18 0.00 -0.60 0.00 0.00 54.58 52.97 1sf6 n ASN 37 Cb 0.27 -4.43 -0.02 0.00 -0.53 0.00 0.00 39.78 35.07 1sf6 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1sf6 n PHE 38 N -3.60 -0.91 -4.52 1.20 3.72 -1.25 -4.96 117.46 107.14 1sf6 n PHE 38 Ca -0.08 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.99 1sf6 n PHE 38 Cb 0.61 -3.52 -0.15 0.00 -0.94 0.00 0.00 39.48 35.47 1sf6 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1sf6 s ASN 39 N -2.15 3.69 0.00 4.37 2.47 -1.11 -3.13 114.94 119.07 1sf6 s ASN 39 Ca 0.00 -0.46 0.25 0.00 0.42 0.00 0.00 52.86 53.06 1sf6 s ASN 39 Cb 0.00 -1.57 0.90 0.00 -1.45 0.00 0.00 41.25 39.13 1sf6 s ASN 39 CO 0.00 0.09 1.65 0.35 -3.72 0.00 0.00 177.10 175.46 1sf6 n THR 40 N 4.05 0.10 0.01 -5.21 -2.24 -1.26 -2.56 114.28 107.18 1sf6 n THR 40 Ca -0.19 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1sf6 n THR 40 Cb 0.52 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 1sf6 n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sf6 n GLN 41 N 0.26 -0.61 -2.82 -0.78 6.02 -1.26 -4.31 117.38 113.88 1sf6 n GLN 41 Ca 0.18 -0.61 -0.43 0.00 -0.01 0.00 0.00 57.00 56.13 1sf6 n GLN 41 Cb 0.35 -1.01 -0.04 0.00 1.02 0.00 0.00 30.24 30.56 1sf6 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sf6 s ALA 42 N -0.11 3.37 0.07 -1.58 0.00 -1.25 -4.86 121.76 117.39 1sf6 s ALA 42 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.43 1sf6 s ALA 42 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1sf6 s ALA 42 CO 0.00 -1.70 -0.06 0.95 0.00 0.00 0.00 175.76 174.95 1sf6 s THR 43 N 3.51 0.56 0.13 0.00 -4.23 -1.26 -3.73 115.64 110.61 1sf6 s THR 43 Ca 0.37 -1.60 -0.11 0.00 -1.18 0.00 0.00 61.69 59.17 1sf6 s THR 43 Cb -0.12 -1.25 0.01 0.00 1.34 0.00 0.00 72.50 72.48 1sf6 s THR 43 CO 0.20 -0.72 0.29 0.20 -0.54 0.00 0.00 174.62 174.05 1sf6 s ASN 44 N -2.49 -0.01 0.74 3.99 -0.87 -1.24 -5.01 114.94 110.06 1sf6 s ASN 44 Ca 0.03 -0.63 -0.05 0.00 -1.57 0.00 0.00 52.86 50.64 1sf6 s ASN 44 Cb 0.00 0.41 0.11 0.00 -0.02 0.00 0.00 41.25 41.75 1sf6 s ASN 44 CO -0.04 -0.83 1.04 -0.60 -2.57 0.00 0.00 177.10 174.10 1sf6 s ARG 45 N -3.88 1.74 -0.08 -0.60 3.52 -1.26 0.13 118.95 118.52 1sf6 s ARG 45 Ca 0.08 -0.68 0.02 0.00 -0.13 0.00 0.00 55.73 55.02 1sf6 s ARG 45 Cb 0.03 -2.21 -0.03 0.00 -1.56 0.00 0.00 34.95 31.19 1sf6 s ARG 45 CO -0.07 -1.48 -0.11 -0.80 -0.81 0.00 0.00 175.30 172.02 1sf6 s ASN 46 N -4.66 4.26 0.00 -2.12 0.02 -0.87 -4.70 114.94 106.87 1sf6 s ASN 46 Ca 0.65 -0.16 0.06 0.00 -1.02 0.00 0.00 52.86 52.39 1sf6 s ASN 46 Cb -0.07 -1.14 0.36 0.00 0.02 0.00 0.00 41.25 40.41 1sf6 s ASN 46 CO 0.45 0.31 0.81 0.41 0.02 0.00 0.00 177.10 179.11 1sf6 n THR 47 N 2.58 0.00 -0.06 1.60 -1.04 -1.26 0.65 114.28 116.75 1sf6 n THR 47 Ca -0.18 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 61.91 1sf6 n THR 47 Cb 0.53 -0.89 0.18 0.00 -1.82 0.00 0.00 70.33 68.32 1sf6 n THR 47 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1sf6 n ASP 48 N -0.99 3.03 0.00 8.00 8.00 -1.26 -5.01 116.55 128.33 1sf6 n ASP 48 Ca 0.04 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.62 1sf6 n ASP 48 Cb 0.02 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 1sf6 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sf6 n GLY 49 N 0.85 0.76 3.28 0.44 0.00 0.21 -5.08 105.19 105.64 1sf6 n GLY 49 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1sf6 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sf6 s SER 50 N -2.88 3.84 0.61 1.61 1.04 -1.25 -4.84 113.70 111.83 1sf6 s SER 50 Ca 0.00 -0.44 -0.14 0.00 0.48 0.00 0.00 55.95 55.84 1sf6 s SER 50 Cb 0.00 -1.61 -0.03 0.00 0.10 0.00 0.00 66.02 64.48 1sf6 s SER 50 CO 0.00 0.06 1.05 -0.89 0.98 0.00 0.00 173.24 174.44 1sf6 s THR 51 N 0.97 4.00 0.35 2.02 2.01 -1.26 -2.06 115.64 121.67 1sf6 s THR 51 Ca -0.02 0.86 0.07 0.00 0.31 0.00 0.00 61.69 62.91 1sf6 s THR 51 Cb -0.15 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 1sf6 s THR 51 CO -0.02 -0.64 0.31 -1.81 -0.69 0.00 0.00 174.62 171.77 1sf6 s ASP 52 N -3.13 5.28 0.00 3.53 1.01 0.34 -2.16 116.67 121.54 1sf6 s ASP 52 Ca 0.61 -0.52 -0.02 0.00 0.71 0.00 0.00 52.55 53.33 1sf6 s ASP 52 Cb -0.14 -0.93 -0.01 0.00 1.01 0.00 0.00 42.92 42.85 1sf6 s ASP 52 CO 0.41 -0.40 0.04 -0.31 0.21 0.00 0.00 175.17 175.12 1sf6 s TYR 53 N -2.32 0.12 0.04 4.23 1.51 1.43 -3.66 117.35 118.69 1sf6 s TYR 53 Ca 0.42 -0.25 0.00 0.00 -1.01 0.00 0.00 57.07 56.23 1sf6 s TYR 53 Cb -0.06 -0.10 0.00 0.00 -0.11 0.00 0.00 41.96 41.70 1sf6 s TYR 53 CO 0.27 -0.17 0.00 0.41 -1.11 0.00 0.00 175.55 174.95 1sf6 n GLY 54 N 1.94 -2.09 0.18 0.71 0.00 -1.24 -0.77 105.19 103.92 1sf6 n GLY 54 Ca -0.21 -1.42 0.14 0.00 0.00 0.00 0.00 46.02 44.53 1sf6 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1sf6 h ILE 55 N -0.16 0.00 -0.03 -0.61 6.09 -1.68 -0.38 117.51 120.73 1sf6 h ILE 55 Ca 0.00 -0.40 -0.18 0.00 -1.37 0.00 0.00 64.86 62.91 1sf6 h ILE 55 Cb 0.16 1.27 -0.01 0.00 0.47 0.00 0.00 36.82 38.71 1sf6 h ILE 55 CO 0.00 0.00 -0.78 -0.07 -3.07 0.00 0.00 178.15 174.23 1sf6 h LEU 56 N 0.00 0.33 -2.08 2.19 3.38 -1.85 -3.20 115.31 114.08 1sf6 h LEU 56 Ca 0.00 -0.24 -0.32 0.00 0.09 0.00 0.00 57.88 57.41 1sf6 h LEU 56 Cb 0.51 -0.10 0.15 0.00 0.09 0.00 0.00 40.66 41.31 1sf6 h LEU 56 CO 0.00 0.99 -0.83 0.00 0.09 0.00 0.00 178.44 178.69 1sf6 n GLN 57 N -3.76 -4.37 -4.56 1.13 1.13 0.06 -4.98 117.38 102.03 1sf6 n GLN 57 Ca -0.04 0.79 -0.31 0.00 -1.94 0.00 0.00 57.00 55.50 1sf6 n GLN 57 Cb 0.74 -5.61 -0.12 0.00 0.11 0.00 0.00 30.24 25.36 1sf6 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1sf6 s ILE 58 N -3.43 2.95 0.10 5.09 1.01 -0.02 -4.66 121.20 122.24 1sf6 s ILE 58 Ca 0.20 -1.18 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1sf6 s ILE 58 Cb -0.03 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1sf6 s ILE 58 CO 0.76 0.30 0.19 0.54 0.00 0.00 0.00 174.94 176.72 1sf6 s ASN 59 N -1.58 6.03 0.00 3.58 2.20 -1.25 0.42 114.94 124.34 1sf6 s ASN 59 Ca 0.16 0.12 0.26 0.00 -0.94 0.00 0.00 52.86 52.46 1sf6 s ASN 59 Cb -0.11 -1.76 1.52 0.00 -2.00 0.00 0.00 41.25 38.91 1sf6 s ASN 59 CO 0.07 0.13 1.98 -1.54 -2.94 0.00 0.00 177.10 174.80 1sf6 n SER 60 N 0.03 0.11 0.20 3.54 3.41 -0.92 -2.99 113.62 117.01 1sf6 n SER 60 Ca -0.07 -1.21 -0.09 0.00 -0.26 0.00 0.00 58.87 57.25 1sf6 n SER 60 Cb 0.52 -0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 1sf6 n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1sf6 h ARG 61 N 0.16 -0.54 0.00 4.33 2.43 -1.83 -3.35 114.38 115.58 1sf6 h ARG 61 Ca 0.00 0.04 -0.26 0.00 -0.81 0.00 0.00 59.98 58.94 1sf6 h ARG 61 Cb 0.04 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 1sf6 h ARG 61 CO 0.00 -0.36 -1.73 0.91 -1.51 0.00 0.00 179.97 177.28 1sf6 n TRP 62 N -4.62 0.84 -0.07 2.20 7.02 -1.26 -2.81 117.44 118.74 1sf6 n TRP 62 Ca -0.07 0.30 -0.16 0.00 -1.02 0.00 0.00 57.50 56.55 1sf6 n TRP 62 Cb 0.22 -1.12 -0.05 0.00 -2.42 0.00 0.00 31.31 27.94 1sf6 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1sf6 n TRP 63 N -2.94 0.00 -4.72 -5.99 7.02 -1.16 -3.54 117.44 106.11 1sf6 n TRP 63 Ca -0.17 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 55.99 1sf6 n TRP 63 Cb 1.00 -0.54 -0.07 0.00 -2.42 0.00 0.00 31.31 29.28 1sf6 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1sf6 s ASN 65 N -3.77 5.26 0.00 0.00 2.47 -1.23 -4.19 114.94 113.48 1sf6 s ASN 65 Ca 0.04 -0.17 0.00 0.00 0.42 0.00 0.00 52.86 53.15 1sf6 s ASN 65 Cb 0.00 -1.95 0.00 0.00 -1.45 0.00 0.00 41.25 37.85 1sf6 s ASN 65 CO 0.03 -0.02 0.09 -0.90 -3.72 0.00 0.00 177.10 172.57 1sf6 n ASP 66 N 4.85 0.18 0.00 -4.21 5.75 -1.26 -2.61 116.55 119.25 1sf6 n ASP 66 Ca -0.16 -0.53 0.00 0.00 -0.01 0.00 0.00 54.79 54.09 1sf6 n ASP 66 Cb 0.52 0.61 0.00 0.00 -1.03 0.00 0.00 41.12 41.22 1sf6 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sf6 n GLY 67 N 0.61 2.12 1.09 6.12 0.00 -1.26 -4.82 105.19 109.04 1sf6 n GLY 67 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1sf6 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1sf6 n ARG 68 N -2.00 2.42 -3.69 1.61 1.85 -1.26 -4.75 116.66 110.85 1sf6 n ARG 68 Ca 0.00 -2.23 -0.37 0.00 -1.00 0.00 0.00 57.85 54.25 1sf6 n ARG 68 Cb 0.00 -1.48 -0.09 0.00 -1.05 0.00 0.00 32.46 29.84 1sf6 n ARG 68 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1sf6 s THR 69 N -1.39 3.90 0.42 8.89 -1.32 -1.26 -4.95 115.64 119.92 1sf6 s THR 69 Ca 0.36 -3.05 -0.20 0.00 -1.21 0.00 0.00 61.69 57.59 1sf6 s THR 69 Cb 0.21 -3.52 -0.11 0.00 -1.51 0.00 0.00 72.50 67.58 1sf6 s THR 69 CO 0.29 -0.91 0.93 -2.84 -2.21 0.00 0.00 174.62 169.88 1sf6 s PRO 70 N -0.22 4.19 -1.00 7.08 0.02 -1.26 -3.42 135.00 140.39 1sf6 s PRO 70 Ca 0.18 1.06 0.00 0.00 0.02 0.00 0.00 61.00 62.26 1sf6 s PRO 70 Cb -0.18 -2.21 0.00 0.00 0.02 0.00 0.00 34.50 32.13 1sf6 s PRO 70 CO -0.05 -0.02 0.00 0.41 -0.33 0.00 0.00 177.00 177.02 1sf6 n GLY 71 N -0.65 1.10 3.87 0.52 0.00 -1.26 -4.96 105.19 103.80 1sf6 n GLY 71 Ca 0.07 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 1sf6 n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sf6 s SER 72 N -2.82 6.55 0.05 1.61 0.15 -1.22 -4.86 113.70 113.16 1sf6 s SER 72 Ca 0.00 0.65 0.04 0.00 0.70 0.00 0.00 55.95 57.35 1sf6 s SER 72 Cb 0.00 -2.13 -0.24 0.00 -1.71 0.00 0.00 66.02 61.94 1sf6 s SER 72 CO 0.00 0.36 1.04 0.03 1.20 0.00 0.00 173.24 175.87 1sf6 h ARG 73 N 4.74 0.09 -5.82 5.44 3.08 -1.66 -3.48 114.38 116.78 1sf6 h ARG 73 Ca -0.53 -0.16 -0.37 0.00 0.07 0.00 0.00 59.98 58.99 1sf6 h ARG 73 Cb 1.22 0.06 0.13 0.00 0.08 0.00 0.00 29.97 31.46 1sf6 h ARG 73 CO 0.60 0.95 -0.77 -1.71 -1.07 0.00 0.00 179.97 177.98 1sf6 n ASN 74 N -3.34 -2.62 0.28 7.04 5.15 -1.23 -4.83 115.26 115.72 1sf6 n ASN 74 Ca -0.08 -0.66 0.19 0.00 -0.60 0.00 0.00 54.58 53.42 1sf6 n ASN 74 Cb 1.00 -4.79 0.94 0.00 -0.53 0.00 0.00 39.78 36.39 1sf6 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1sf6 h LEU 75 N -2.02 0.00 0.00 1.20 3.38 -0.77 -1.20 115.31 115.89 1sf6 h LEU 75 Ca -0.59 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.12 1sf6 h LEU 75 Cb 1.35 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 1sf6 h LEU 75 CO 0.53 0.00 -1.46 0.00 0.09 0.00 0.00 178.44 177.61 1sf6 n ASN 77 N -3.16 -6.09 -3.83 0.00 3.02 -0.46 -4.98 115.26 99.76 1sf6 n ASN 77 Ca -0.11 -0.23 -0.12 0.00 -0.03 0.00 0.00 54.58 54.10 1sf6 n ASN 77 Cb 1.01 -4.96 -0.10 0.00 -0.61 0.00 0.00 39.78 35.12 1sf6 n ASN 77 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1sf6 s ILE 78 N -3.15 0.06 0.30 2.41 1.01 -1.26 -5.04 121.20 115.53 1sf6 s ILE 78 Ca 0.23 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 60.10 1sf6 s ILE 78 Cb -0.10 -0.44 -0.11 0.00 0.01 0.00 0.00 42.46 41.81 1sf6 s ILE 78 CO 0.29 -0.27 1.55 -2.16 0.00 0.00 0.00 174.94 174.35 1sf6 s PRO 79 N -1.02 4.15 0.61 2.79 0.04 -1.26 -3.49 135.00 136.81 1sf6 s PRO 79 Ca -0.11 2.53 0.35 0.00 0.04 0.00 0.00 61.00 63.80 1sf6 s PRO 79 Cb -0.06 -3.03 1.98 0.00 0.04 0.00 0.00 34.50 33.44 1sf6 s PRO 79 CO 0.02 -0.57 2.27 0.00 0.04 0.00 0.00 177.00 178.75 1sf6 n SER 81 N -3.54 0.00 -0.04 0.00 3.41 -1.26 -3.31 113.62 108.88 1sf6 n SER 81 Ca -0.03 -0.31 0.03 0.00 -0.26 0.00 0.00 58.87 58.30 1sf6 n SER 81 Cb 0.10 -0.23 0.19 0.00 -0.26 0.00 0.00 64.21 64.02 1sf6 n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sf6 n ALA 82 N -1.23 2.53 0.00 7.33 0.00 0.81 -3.87 120.51 126.08 1sf6 n ALA 82 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1sf6 n ALA 82 Cb 0.21 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1sf6 n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sf6 n LEU 83 N -0.53 0.00 0.00 0.00 4.77 -1.21 -4.72 117.00 115.31 1sf6 n LEU 83 Ca 0.05 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.08 1sf6 n LEU 83 Cb 0.04 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.35 1sf6 n LEU 83 CO 0.04 0.00 0.58 0.18 -1.33 0.00 0.00 177.39 176.86 1sf6 n LEU 84 N -1.50 0.00 -4.87 2.23 4.77 -1.25 -4.74 117.00 111.64 1sf6 n LEU 84 Ca 0.00 0.31 -0.29 0.00 -0.03 0.00 0.00 56.01 56.00 1sf6 n LEU 84 Cb 0.33 -0.31 0.11 0.00 -2.33 0.00 0.00 43.42 41.22 1sf6 n LEU 84 CO 0.00 -0.22 0.78 -0.55 -1.33 0.00 0.00 177.39 176.07 1sf6 s SER 85 N -2.62 4.17 0.27 -1.43 0.15 -1.26 -4.18 113.70 108.81 1sf6 s SER 85 Ca 0.08 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.52 1sf6 s SER 85 Cb 0.06 -1.27 0.54 0.00 -1.71 0.00 0.00 66.02 63.64 1sf6 s SER 85 CO 0.13 -2.12 1.80 0.77 1.20 0.00 0.00 173.24 175.03 1sf6 h SER 86 N -1.20 0.74 -3.94 5.45 4.64 -1.91 -3.38 113.55 113.95 1sf6 h SER 86 Ca -0.47 0.07 -0.47 0.00 -0.47 0.00 0.00 61.79 60.45 1sf6 h SER 86 Cb 1.32 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1sf6 h SER 86 CO 0.63 0.36 0.37 -0.62 -0.87 0.00 0.00 176.83 176.71 1sf6 s ASP 87 N -5.55 7.04 0.00 4.97 2.15 -1.26 -4.90 116.67 119.11 1sf6 s ASP 87 Ca -0.12 1.91 0.00 0.00 0.43 0.00 0.00 52.55 54.77 1sf6 s ASP 87 Cb 0.22 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 1sf6 s ASP 87 CO 0.79 -0.29 0.36 2.30 -0.17 0.00 0.00 175.17 178.16 1sf6 n ILE 88 N 0.13 0.04 -0.18 4.11 -5.35 -1.26 -4.78 119.36 112.07 1sf6 n ILE 88 Ca 0.04 -0.06 0.25 0.00 -0.27 0.00 0.00 62.75 62.72 1sf6 n ILE 88 Cb 0.50 1.30 0.67 0.00 -1.74 0.00 0.00 39.64 40.37 1sf6 n ILE 88 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1sf6 h THR 89 N 2.15 0.60 -0.01 7.28 1.35 -1.95 -2.66 112.91 119.67 1sf6 h THR 89 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1sf6 h THR 89 Cb 0.79 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1sf6 h THR 89 CO 0.00 0.02 -0.48 0.00 -0.25 0.00 0.00 175.52 174.81 1sf6 n ALA 90 N -2.66 3.46 0.26 6.62 0.00 -1.26 -4.58 120.51 122.34 1sf6 n ALA 90 Ca 0.18 -0.45 0.15 0.00 0.00 0.00 0.00 53.44 53.32 1sf6 n ALA 90 Cb 0.86 -0.51 0.79 0.00 0.00 0.00 0.00 19.45 20.60 1sf6 n ALA 90 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sf6 h SER 91 N 0.82 0.00 1.21 0.00 4.64 -1.76 -2.97 113.55 115.48 1sf6 h SER 91 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sf6 h SER 91 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1sf6 h SER 91 CO 0.00 0.00 -0.03 0.52 -0.87 0.00 0.00 176.83 176.45 1sf6 n VAL 92 N -2.59 0.29 -0.04 0.95 0.31 -1.26 -4.02 118.33 111.97 1sf6 n VAL 92 Ca -0.01 -0.14 -0.08 0.00 -0.01 0.00 0.00 64.34 64.09 1sf6 n VAL 92 Cb 0.09 -0.51 -0.02 0.00 -0.91 0.00 0.00 33.84 32.49 1sf6 n VAL 92 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1sf6 h ASN 93 N 0.00 -0.39 0.20 4.52 -0.26 -1.88 0.22 115.58 118.00 1sf6 h ASN 93 Ca 0.00 0.09 -0.07 0.00 -0.56 0.00 0.00 56.30 55.76 1sf6 h ASN 93 Cb 0.62 0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 38.08 1sf6 h ASN 93 CO 0.00 -0.15 -0.28 0.00 -1.06 0.00 0.00 177.43 175.94 1sf6 h ALA 95 N 1.60 1.24 0.00 0.00 0.00 -1.36 -2.26 119.26 118.48 1sf6 h ALA 95 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1sf6 h ALA 95 Cb 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1sf6 h ALA 95 CO 0.04 0.57 0.00 1.63 0.00 0.00 0.00 179.25 181.49 1sf6 n LYS 96 N -3.99 0.83 -0.04 0.00 5.02 0.67 -3.29 118.16 117.37 1sf6 n LYS 96 Ca -0.02 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.23 1sf6 n LYS 96 Cb 0.48 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.94 1sf6 n LYS 96 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1sf6 n LYS 97 N -1.03 1.55 0.09 1.97 5.02 -0.89 -4.67 118.16 120.20 1sf6 n LYS 97 Ca 0.20 0.02 0.05 0.00 -2.02 0.00 0.00 58.31 56.57 1sf6 n LYS 97 Cb 0.11 -1.18 0.27 0.00 -0.02 0.00 0.00 35.03 34.22 1sf6 n LYS 97 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1sf6 n ILE 98 N -2.51 1.20 0.57 -0.18 5.41 -0.96 0.14 119.36 123.03 1sf6 n ILE 98 Ca -0.13 0.64 0.08 0.00 1.00 0.00 0.00 62.75 64.33 1sf6 n ILE 98 Cb 0.70 -1.64 -0.10 0.00 -0.71 0.00 0.00 39.64 37.89 1sf6 n ILE 98 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1sf6 n VAL 99 N -1.83 0.00 0.21 1.39 0.31 -1.26 -4.38 118.33 112.77 1sf6 n VAL 99 Ca -0.01 -0.18 0.09 0.00 -0.01 0.00 0.00 64.34 64.23 1sf6 n VAL 99 Cb 0.13 0.77 0.42 0.00 -0.91 0.00 0.00 33.84 34.25 1sf6 n VAL 99 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1sf6 h SER 100 N 0.00 0.00 0.03 4.52 0.87 0.96 -2.86 113.55 117.07 1sf6 h SER 100 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1sf6 h SER 100 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1sf6 h SER 100 CO 0.00 0.26 0.00 -0.78 -0.53 0.00 0.00 176.83 175.78 1sf6 h ASP 101 N 0.00 0.00 0.00 6.23 3.58 -1.76 -3.44 116.42 121.04 1sf6 h ASP 101 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1sf6 h ASP 101 Cb 0.78 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1sf6 h ASP 101 CO 0.03 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.00 1sf6 n GLY 102 N -1.10 0.70 0.32 -0.78 0.00 -1.08 -4.91 105.19 98.35 1sf6 n GLY 102 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1sf6 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sf6 n ASN 103 N 0.00 1.03 0.00 1.61 3.02 -1.26 -4.99 115.26 114.66 1sf6 n ASN 103 Ca 0.00 -1.29 0.00 0.00 -0.03 0.00 0.00 54.58 53.26 1sf6 n ASN 103 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1sf6 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sf6 n GLY 104 N 1.14 1.64 0.37 7.41 0.00 -1.24 0.52 105.19 115.03 1sf6 n GLY 104 Ca 0.20 -0.58 0.01 0.00 0.00 0.00 0.00 46.02 45.65 1sf6 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sf6 n MET 105 N 6.48 1.24 0.03 1.61 2.81 -1.26 -4.25 117.12 123.77 1sf6 n MET 105 Ca 0.00 -0.24 0.02 0.00 -1.81 0.00 0.00 57.70 55.67 1sf6 n MET 105 Cb 0.00 -1.31 0.09 0.00 -0.71 0.00 0.00 33.22 31.29 1sf6 n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1sf6 n ASN 106 N -0.13 0.09 -0.09 7.83 3.02 0.18 -1.07 115.26 125.09 1sf6 n ASN 106 Ca 0.02 0.48 -0.20 0.00 -0.03 0.00 0.00 54.58 54.86 1sf6 n ASN 106 Cb 0.19 -0.49 -0.12 0.00 -0.61 0.00 0.00 39.78 38.75 1sf6 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sf6 n ALA 107 N -1.48 1.26 -2.33 5.41 0.00 -1.26 -4.85 120.51 117.25 1sf6 n ALA 107 Ca -0.00 -0.95 -0.43 0.00 0.00 0.00 0.00 53.44 52.06 1sf6 n ALA 107 Cb 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 1sf6 n ALA 107 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1sf6 s TRP 108 N -2.53 2.42 0.06 0.00 0.51 -0.23 -4.86 118.94 114.32 1sf6 s TRP 108 Ca -0.32 0.72 -0.20 0.00 -2.12 0.00 0.00 56.10 54.18 1sf6 s TRP 108 Cb 0.09 -4.14 -0.12 0.00 -0.81 0.00 0.00 33.47 28.49 1sf6 s TRP 108 CO 0.64 -2.05 1.48 0.28 -0.51 0.00 0.00 176.95 176.78 1sf6 h VAL 109 N 6.29 1.26 -0.34 4.03 2.07 -1.89 -3.26 116.25 124.42 1sf6 h VAL 109 Ca -0.28 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 1sf6 h VAL 109 Cb 1.11 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1sf6 h VAL 109 CO 1.06 0.27 -0.08 0.00 0.02 0.00 0.00 177.57 178.83 1sf6 h ALA 110 N 0.76 0.46 0.12 1.67 0.00 -1.89 -3.33 119.26 117.05 1sf6 h ALA 110 Ca 0.05 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1sf6 h ALA 110 Cb 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1sf6 h ALA 110 CO 0.01 0.31 -0.09 2.35 0.00 0.00 0.00 179.25 181.83 1sf6 h TRP 111 N 0.43 -0.23 0.00 0.00 7.01 -1.90 4.02 115.95 125.29 1sf6 h TRP 111 Ca 0.09 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.08 1sf6 h TRP 111 Cb 0.58 0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.73 1sf6 h TRP 111 CO 0.05 -0.14 0.14 -0.09 -2.79 0.00 0.00 178.44 175.61 1sf6 h ARG 112 N -0.21 0.00 0.00 2.65 2.43 -1.66 2.62 114.38 120.21 1sf6 h ARG 112 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1sf6 h ARG 112 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1sf6 h ARG 112 CO -0.00 0.00 -0.91 0.09 -1.51 0.00 0.00 179.97 177.64 1sf6 n ASN 113 N -2.94 4.13 -0.02 -3.80 3.02 -0.94 -4.23 115.26 110.49 1sf6 n ASN 113 Ca -0.02 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.42 1sf6 n ASN 113 Cb 0.19 0.25 -0.14 0.00 -0.61 0.00 0.00 39.78 39.48 1sf6 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1sf6 n ARG 114 N -2.10 0.65 -0.10 3.52 1.74 1.32 -4.33 116.66 117.37 1sf6 n ARG 114 Ca 0.00 0.30 0.03 0.00 -0.77 0.00 0.00 57.85 57.41 1sf6 n ARG 114 Cb 0.45 -1.78 0.09 0.00 -1.02 0.00 0.00 32.46 30.20 1sf6 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sf6 s LYS 116 N -0.97 3.69 -0.01 0.00 2.20 0.85 -3.96 119.74 121.53 1sf6 s LYS 116 Ca 0.13 -0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1sf6 s LYS 116 Cb 0.07 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 1sf6 s LYS 116 CO 0.09 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 1sf6 n GLY 117 N 4.73 0.42 3.99 5.54 0.00 -1.26 -4.82 105.19 113.78 1sf6 n GLY 117 Ca -0.04 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 1sf6 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sf6 s THR 118 N -2.00 2.24 -1.07 2.61 -4.23 -1.25 -4.96 115.64 106.97 1sf6 s THR 118 Ca 0.00 -0.60 -0.16 0.00 -1.18 0.00 0.00 61.69 59.76 1sf6 s THR 118 Cb 0.00 -2.65 0.16 0.00 1.34 0.00 0.00 72.50 71.35 1sf6 s THR 118 CO 0.00 0.00 1.27 -0.62 -0.54 0.00 0.00 174.62 174.73 1sf6 s ASP 119 N -4.67 6.88 0.17 3.99 -1.08 -1.26 -4.70 116.67 116.00 1sf6 s ASP 119 Ca 0.64 -2.59 0.10 0.00 -0.52 0.00 0.00 52.55 50.18 1sf6 s ASP 119 Cb -0.06 -2.39 -0.10 0.00 -1.46 0.00 0.00 42.92 38.90 1sf6 s ASP 119 CO 0.43 -0.86 1.34 -0.37 0.52 0.00 0.00 175.17 176.23 1sf6 h VAL 120 N 5.14 1.45 0.00 1.11 -1.51 -1.93 -2.66 116.25 117.86 1sf6 h VAL 120 Ca 0.24 -3.02 0.00 0.00 -1.23 0.00 0.00 66.70 62.69 1sf6 h VAL 120 Cb 0.94 2.70 0.00 0.00 -2.13 0.00 0.00 31.29 32.80 1sf6 h VAL 120 CO 1.16 0.82 0.00 0.00 -1.23 0.00 0.00 177.57 178.32 1sf6 n GLN 121 N -3.33 0.08 -0.04 5.19 0.00 -1.26 -0.03 117.38 117.99 1sf6 n GLN 121 Ca 0.01 0.27 0.12 0.00 0.00 0.00 0.00 57.00 57.40 1sf6 n GLN 121 Cb 0.87 -1.63 0.46 0.00 0.00 0.00 0.00 30.24 29.94 1sf6 n GLN 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1sf6 n ALA 122 N -1.60 2.55 -0.11 2.61 0.00 -1.00 -2.84 120.51 120.12 1sf6 n ALA 122 Ca 0.04 -0.47 -0.24 0.00 0.00 0.00 0.00 53.44 52.77 1sf6 n ALA 122 Cb 0.22 -1.14 -0.08 0.00 0.00 0.00 0.00 19.45 18.45 1sf6 n ALA 122 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1sf6 n TRP 123 N 0.18 0.00 0.31 0.00 7.02 0.96 -4.60 117.44 121.31 1sf6 n TRP 123 Ca 0.18 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.79 1sf6 n TRP 123 Cb 0.33 -0.79 0.33 0.00 -2.42 0.00 0.00 31.31 28.75 1sf6 n TRP 123 CO 0.00 0.00 0.00 -0.84 -2.02 0.00 0.00 177.69 174.83 1sf6 h ILE 124 N -0.81 0.00 -4.23 -0.99 3.07 -1.64 -3.46 117.51 109.44 1sf6 h ILE 124 Ca -0.55 -0.78 -0.50 0.00 1.55 0.00 0.00 64.86 64.57 1sf6 h ILE 124 Cb 1.47 1.77 0.09 0.00 -0.27 0.00 0.00 36.82 39.88 1sf6 h ILE 124 CO -0.33 0.00 0.37 -0.60 -1.05 0.00 0.00 178.15 176.53 1sf6 s ARG 125 N -3.29 2.96 0.00 0.16 3.52 -1.13 -3.73 118.95 117.44 1sf6 s ARG 125 Ca 0.06 1.22 0.00 0.00 -0.13 0.00 0.00 55.73 56.89 1sf6 s ARG 125 Cb 0.07 -1.98 0.00 0.00 -1.56 0.00 0.00 34.95 31.48 1sf6 s ARG 125 CO 0.62 -1.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.42 1sf6 n GLY 126 N -1.01 2.54 3.97 8.12 0.00 -1.26 -4.97 105.19 112.59 1sf6 n GLY 126 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1sf6 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sf6 s ARG 128 N -4.29 4.41 0.00 0.00 3.52 -1.26 -5.16 118.95 116.16 1sf6 s ARG 128 Ca 0.45 1.85 0.00 0.00 -0.13 0.00 0.00 55.73 57.90 1sf6 s ARG 128 Cb -0.10 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 29.98 1sf6 s ARG 128 CO 0.33 -0.28 0.00 1.28 -0.81 0.00 0.00 175.30 175.82