#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fly s VAL 2 N 0.00 5.26 0.69 3.15 1.01 -1.26 -1.40 120.40 127.85 1fly s VAL 2 Ca 0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 1fly s VAL 2 Cb 0.00 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.55 1fly s VAL 2 CO 0.00 -0.18 1.07 -0.36 0.00 0.00 0.00 175.10 175.64 1fly s PHE 3 N 1.74 2.92 0.18 5.22 0.40 0.79 -4.99 117.98 124.25 1fly s PHE 3 Ca 0.06 1.48 -0.06 0.00 -0.60 0.00 0.00 56.93 57.82 1fly s PHE 3 Cb -0.18 -2.97 -0.06 0.00 0.51 0.00 0.00 43.02 40.32 1fly s PHE 3 CO 0.10 -1.37 0.44 0.20 0.70 0.00 0.00 175.22 175.29 1fly s GLY 4 N -3.37 2.17 0.13 4.36 0.00 -1.26 -4.88 107.32 104.47 1fly s GLY 4 Ca 0.61 -0.51 -0.30 0.00 0.00 0.00 0.00 44.72 44.51 1fly s GLY 4 CO 0.50 -0.42 1.58 -0.09 0.00 0.00 0.00 173.10 174.67 1fly h ARG 5 N 2.58 -0.52 -0.10 2.90 2.43 -1.97 0.98 114.38 120.67 1fly h ARG 5 Ca -0.46 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.65 1fly h ARG 5 Cb 1.17 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1fly h ARG 5 CO 0.71 -0.35 -0.36 0.00 -1.51 0.00 0.00 179.97 178.46 1fly h GLU 7 N 0.17 0.06 -0.67 0.00 4.81 -1.81 -1.58 114.58 115.56 1fly h GLU 7 Ca 0.02 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1fly h GLU 7 Cb 0.72 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1fly h GLU 7 CO 0.05 0.16 0.20 1.25 -0.73 0.00 0.00 179.01 179.95 1fly h LEU 8 N -0.05 0.96 -0.54 1.64 5.85 -0.60 -2.23 115.31 120.34 1fly h LEU 8 Ca 0.02 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.60 1fly h LEU 8 Cb 0.12 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1fly h LEU 8 CO -0.00 0.90 0.31 0.00 -0.34 0.00 0.00 178.44 179.30 1fly h ALA 9 N 1.23 0.70 -0.45 1.25 0.00 -0.97 0.01 119.26 121.02 1fly h ALA 9 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1fly h ALA 9 Cb 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1fly h ALA 9 CO -0.01 -0.00 0.02 0.00 0.00 0.00 0.00 179.25 179.26 1fly h ALA 10 N 1.26 0.60 -0.49 0.00 0.00 -1.10 -0.30 119.26 119.23 1fly h ALA 10 Ca 0.23 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1fly h ALA 10 Cb 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1fly h ALA 10 CO -0.12 0.38 -0.12 0.00 0.00 0.00 0.00 179.25 179.39 1fly h ALA 11 N 0.92 0.86 -0.51 0.00 0.00 -1.14 -0.92 119.26 118.47 1fly h ALA 11 Ca 0.13 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1fly h ALA 11 Cb 0.47 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1fly h ALA 11 CO 0.02 0.64 0.03 0.52 0.00 0.00 0.00 179.25 180.47 1fly h MET 12 N 0.82 0.88 0.24 0.00 2.86 -0.82 -1.81 114.93 117.10 1fly h MET 12 Ca 0.13 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1fly h MET 12 Cb 0.65 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1fly h MET 12 CO 0.05 0.89 -0.11 -0.22 1.06 0.00 0.00 176.91 178.57 1fly h LYS 13 N 0.75 -0.30 -0.76 1.72 3.64 -0.91 -1.84 116.57 118.87 1fly h LYS 13 Ca 0.15 0.02 0.17 0.00 -1.27 0.00 0.00 60.65 59.71 1fly h LYS 13 Cb 0.47 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.25 1fly h LYS 13 CO 0.02 -0.13 0.22 -0.09 -2.27 0.00 0.00 179.45 177.19 1fly h ARG 14 N -0.41 0.29 0.00 1.90 2.43 -1.12 0.40 114.38 117.88 1fly h ARG 14 Ca -0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1fly h ARG 14 Cb 0.31 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1fly h ARG 14 CO 0.05 0.20 0.00 0.72 -1.51 0.00 0.00 179.97 179.43 1fly n HIS 15 N -5.13 0.00 -1.26 2.20 8.25 -0.69 -4.89 115.22 113.71 1fly n HIS 15 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1fly n HIS 15 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1fly n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fly n GLY 16 N 0.43 0.51 0.14 -1.41 0.00 0.14 -4.98 105.19 100.03 1fly n GLY 16 Ca 0.11 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.37 1fly n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fly h LEU 17 N 0.00 0.00 -9.06 0.99 3.38 -1.48 -3.40 115.31 105.74 1fly h LEU 17 Ca 0.00 -0.02 -0.57 0.00 0.09 0.00 0.00 57.88 57.38 1fly h LEU 17 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1fly h LEU 17 CO 0.00 0.01 1.35 -0.62 0.09 0.00 0.00 178.44 179.27 1fly s ASP 18 N -5.45 5.86 -1.18 -0.43 2.15 -1.26 -1.55 116.67 114.81 1fly s ASP 18 Ca 0.02 1.94 0.00 0.00 0.43 0.00 0.00 52.55 54.94 1fly s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1fly s ASP 18 CO 0.75 -1.63 0.00 0.59 -0.17 0.00 0.00 175.17 174.71 1fly n ASN 19 N 10.13 -4.22 -4.69 -0.34 4.13 0.81 -4.87 115.26 116.21 1fly n ASN 19 Ca 0.25 0.20 -0.42 0.00 1.68 0.00 0.00 54.58 56.29 1fly n ASN 19 Cb 0.44 -2.97 -0.03 0.00 -1.54 0.00 0.00 39.78 35.68 1fly n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1fly s TYR 20 N -2.48 2.95 -1.67 3.10 5.04 -0.59 -1.87 117.35 121.83 1fly s TYR 20 Ca 0.00 0.89 0.00 0.00 -2.44 0.00 0.00 57.07 55.52 1fly s TYR 20 Cb 0.00 -3.64 0.00 0.00 0.35 0.00 0.00 41.96 38.67 1fly s TYR 20 CO 0.00 -2.30 0.00 0.54 -1.34 0.00 0.00 175.55 172.45 1fly n ARG 21 N 5.11 -1.73 -0.66 4.97 5.12 -1.26 -1.65 116.66 126.57 1fly n ARG 21 Ca 0.13 0.94 0.00 0.00 -1.93 0.00 0.00 57.85 56.98 1fly n ARG 21 Cb 0.44 -5.51 0.00 0.00 -1.16 0.00 0.00 32.46 26.23 1fly n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1fly n GLY 22 N -0.80 0.79 3.57 -0.13 0.00 -0.78 -5.04 105.19 102.80 1fly n GLY 22 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1fly n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fly s TYR 23 N -2.98 3.22 0.73 1.61 2.02 -0.66 -4.88 117.35 116.41 1fly s TYR 23 Ca 0.00 -0.01 -0.14 0.00 -0.37 0.00 0.00 57.07 56.55 1fly s TYR 23 Cb 0.00 -2.42 0.04 0.00 -0.40 0.00 0.00 41.96 39.17 1fly s TYR 23 CO 0.00 -0.24 1.16 -1.54 -1.57 0.00 0.00 175.55 173.35 1fly s SER 24 N 1.74 4.39 0.38 2.29 1.04 -1.26 -0.13 113.70 122.15 1fly s SER 24 Ca 0.07 2.17 0.16 0.00 0.48 0.00 0.00 55.95 58.83 1fly s SER 24 Cb -0.17 -2.57 1.06 0.00 0.10 0.00 0.00 66.02 64.44 1fly s SER 24 CO 0.11 -2.12 1.75 0.25 0.98 0.00 0.00 173.24 174.21 1fly h LEU 25 N -0.42 0.50 -1.53 2.42 5.85 -1.89 -0.93 115.31 119.30 1fly h LEU 25 Ca -0.46 0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.48 1fly h LEU 25 Cb 1.27 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.28 1fly h LEU 25 CO 0.50 0.07 0.48 1.23 -0.34 0.00 0.00 178.44 180.39 1fly h GLY 26 N 0.43 0.77 0.75 3.75 0.00 -1.91 -1.90 103.07 104.96 1fly h GLY 26 Ca 0.62 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 1fly h GLY 26 CO -0.36 0.10 0.00 3.43 0.00 0.00 0.00 176.54 179.71 1fly h ASN 27 N 0.50 0.05 -0.70 0.19 2.35 -1.40 -1.52 115.58 115.04 1fly h ASN 27 Ca 0.35 -0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1fly h ASN 27 Cb 0.67 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.99 1fly h ASN 27 CO -0.12 0.30 0.31 -0.50 -1.65 0.00 0.00 177.43 175.78 1fly h TRP 28 N -0.20 1.05 -0.28 1.19 4.06 -1.49 0.53 115.95 120.81 1fly h TRP 28 Ca 0.01 -0.06 -0.10 0.00 2.06 0.00 0.00 58.89 60.80 1fly h TRP 28 Cb 0.27 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 28.11 1fly h TRP 28 CO 0.02 0.79 -0.23 0.28 -3.56 0.00 0.00 178.44 175.73 1fly h VAL 29 N 1.03 1.30 -0.49 1.49 2.07 -1.37 -2.00 116.25 118.28 1fly h VAL 29 Ca 0.24 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1fly h VAL 29 Cb 0.16 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1fly h VAL 29 CO -0.03 0.44 0.29 0.00 0.02 0.00 0.00 177.57 178.29 1fly h ALA 31 N 1.13 0.61 -0.62 0.00 0.00 -0.85 -2.03 119.26 117.49 1fly h ALA 31 Ca 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1fly h ALA 31 Cb 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1fly h ALA 31 CO -0.03 0.09 0.31 0.00 0.00 0.00 0.00 179.25 179.62 1fly h ALA 32 N 1.14 0.80 0.04 0.00 0.00 -1.07 0.12 119.26 120.29 1fly h ALA 32 Ca 0.17 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1fly h ALA 32 Cb -0.02 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 1fly h ALA 32 CO -0.03 0.35 -0.35 -0.22 0.00 0.00 0.00 179.25 179.00 1fly h LYS 33 N 0.85 -0.51 0.00 0.00 1.63 -0.72 -0.46 116.57 117.36 1fly h LYS 33 Ca 0.21 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.03 1fly h LYS 33 Cb 0.10 0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1fly h LYS 33 CO -0.03 -0.34 -0.21 0.74 -3.45 0.00 0.00 179.45 176.16 1fly h PHE 34 N -0.53 0.00 0.12 1.91 0.04 -1.27 0.27 116.94 117.48 1fly h PHE 34 Ca 0.05 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.64 1fly h PHE 34 Cb 0.60 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.76 1fly h PHE 34 CO -0.35 0.09 -0.83 0.93 -0.60 0.00 0.00 178.31 177.55 1fly h GLU 35 N 0.00 0.25 0.00 1.51 4.39 -0.59 -3.42 114.58 116.71 1fly h GLU 35 Ca -0.00 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1fly h GLU 35 Cb 1.07 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1fly h GLU 35 CO 0.01 1.21 0.00 -1.13 -1.16 0.00 0.00 179.01 177.94 1fly n SER 36 N -4.16 0.13 -2.35 1.42 3.41 -0.26 -4.86 113.62 106.95 1fly n SER 36 Ca -0.16 -0.45 -0.16 0.00 -0.26 0.00 0.00 58.87 57.85 1fly n SER 36 Cb 0.79 0.42 0.04 0.00 -0.26 0.00 0.00 64.21 65.20 1fly n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1fly n ASN 37 N -0.42 -4.88 -1.26 4.04 5.15 0.08 -2.66 115.26 115.31 1fly n ASN 37 Ca 0.00 -0.26 -0.16 0.00 -0.60 0.00 0.00 54.58 53.56 1fly n ASN 37 Cb 0.03 -3.65 -0.06 0.00 -0.53 0.00 0.00 39.78 35.56 1fly n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1fly n PHE 38 N -4.18 -0.08 -3.67 1.20 3.72 -1.21 -4.86 117.46 108.38 1fly n PHE 38 Ca -0.05 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.96 1fly n PHE 38 Cb 0.57 -2.79 -0.12 0.00 -0.94 0.00 0.00 39.48 36.21 1fly n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1fly s ASN 39 N -2.78 5.50 0.59 4.37 2.47 -1.09 -0.15 114.94 123.86 1fly s ASN 39 Ca 0.00 -0.53 0.37 0.00 0.42 0.00 0.00 52.86 53.12 1fly s ASN 39 Cb 0.00 -1.99 1.79 0.00 -1.45 0.00 0.00 41.25 39.60 1fly s ASN 39 CO 0.00 -0.19 2.15 0.71 -3.72 0.00 0.00 177.10 176.05 1fly h THR 40 N 5.67 0.10 -0.27 -5.21 1.35 -1.54 -2.87 112.91 110.14 1fly h THR 40 Ca -0.32 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1fly h THR 40 Cb 1.15 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1fly h THR 40 CO 0.61 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 175.90 1fly n GLN 41 N -3.18 1.97 -2.22 4.72 6.02 -1.26 -4.03 117.38 119.41 1fly n GLN 41 Ca -0.01 -1.48 -0.41 0.00 -0.01 0.00 0.00 57.00 55.09 1fly n GLN 41 Cb 0.21 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 1fly n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fly s ALA 42 N -1.65 3.52 0.03 -1.58 0.00 -1.08 -4.84 121.76 116.16 1fly s ALA 42 Ca 0.33 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.43 1fly s ALA 42 Cb 0.18 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 1fly s ALA 42 CO 0.26 -0.54 -0.09 0.95 0.00 0.00 0.00 175.76 176.35 1fly s THR 43 N 0.13 0.68 -0.13 0.00 -4.23 -1.26 -1.21 115.64 109.61 1fly s THR 43 Ca 0.57 -0.88 -0.06 0.00 -1.18 0.00 0.00 61.69 60.14 1fly s THR 43 Cb -0.36 -0.67 0.06 0.00 1.34 0.00 0.00 72.50 72.86 1fly s THR 43 CO 0.38 -0.17 0.29 0.20 -0.54 0.00 0.00 174.62 174.78 1fly s ASN 44 N -1.15 -0.17 0.16 3.99 0.01 -1.01 -4.98 114.94 111.79 1fly s ASN 44 Ca -0.04 0.64 -0.15 0.00 -0.71 0.00 0.00 52.86 52.60 1fly s ASN 44 Cb -0.08 0.60 -0.07 0.00 0.41 0.00 0.00 41.25 42.11 1fly s ASN 44 CO 0.01 -0.19 0.57 -0.60 -1.51 0.00 0.00 177.10 175.37 1fly s ARG 45 N 1.64 4.00 0.28 -0.60 3.52 -1.26 -0.50 118.95 126.03 1fly s ARG 45 Ca -0.06 0.52 0.07 0.00 -0.13 0.00 0.00 55.73 56.13 1fly s ARG 45 Cb -0.10 -2.91 -0.03 0.00 -1.56 0.00 0.00 34.95 30.34 1fly s ARG 45 CO -0.10 0.46 0.22 -0.80 -0.81 0.00 0.00 175.30 174.27 1fly s ASN 46 N -1.74 5.43 0.44 -2.12 0.01 -0.37 -4.96 114.94 111.63 1fly s ASN 46 Ca 0.39 -0.33 0.12 0.00 -0.71 0.00 0.00 52.86 52.32 1fly s ASN 46 Cb -0.15 -1.26 1.01 0.00 0.41 0.00 0.00 41.25 41.26 1fly s ASN 46 CO 0.19 -0.13 2.04 0.71 -1.51 0.00 0.00 177.10 178.41 1fly h THR 47 N 1.43 0.99 0.00 1.60 1.35 -1.99 -0.62 112.91 115.68 1fly h THR 47 Ca -0.47 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1fly h THR 47 Cb 1.24 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1fly h THR 47 CO 0.60 0.07 0.00 -0.90 -0.25 0.00 0.00 175.52 175.04 1fly n ASP 48 N -4.48 0.00 0.00 5.36 5.75 -1.26 -4.87 116.55 117.05 1fly n ASP 48 Ca 0.05 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 1fly n ASP 48 Cb 0.20 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1fly n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fly n GLY 49 N 0.56 2.31 3.78 6.12 0.00 -0.24 -5.01 105.19 112.71 1fly n GLY 49 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1fly n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fly s SER 50 N -2.48 3.14 0.02 1.61 1.04 -1.26 -4.79 113.70 110.98 1fly s SER 50 Ca 0.00 0.82 0.01 0.00 0.48 0.00 0.00 55.95 57.25 1fly s SER 50 Cb 0.00 -1.27 -0.02 0.00 0.10 0.00 0.00 66.02 64.83 1fly s SER 50 CO 0.00 -2.77 -0.03 -0.89 0.98 0.00 0.00 173.24 170.53 1fly s THR 51 N -3.34 0.19 -0.10 2.02 2.01 -1.26 -1.23 115.64 113.93 1fly s THR 51 Ca 0.66 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.89 1fly s THR 51 Cb -0.12 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 1fly s THR 51 CO 0.53 -0.32 0.18 -1.81 -0.69 0.00 0.00 174.62 172.51 1fly s ASP 52 N -1.06 6.45 -0.02 3.53 1.01 0.35 -1.06 116.67 125.87 1fly s ASP 52 Ca -0.10 0.54 0.05 0.00 0.71 0.00 0.00 52.55 53.76 1fly s ASP 52 Cb -0.07 -2.10 -0.01 0.00 1.01 0.00 0.00 42.92 41.75 1fly s ASP 52 CO -0.00 0.40 -0.17 -0.31 0.21 0.00 0.00 175.17 175.29 1fly s TYR 53 N -1.04 1.58 0.02 4.23 1.51 0.48 -2.40 117.35 121.73 1fly s TYR 53 Ca 0.16 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 1fly s TYR 53 Cb -0.13 -1.02 0.00 0.00 -0.11 0.00 0.00 41.96 40.70 1fly s TYR 53 CO 0.05 -0.04 0.00 0.41 -1.11 0.00 0.00 175.55 174.86 1fly n GLY 54 N 2.70 -2.00 0.42 0.71 0.00 -0.35 -1.00 105.19 105.68 1fly n GLY 54 Ca -0.15 -1.39 0.23 0.00 0.00 0.00 0.00 46.02 44.71 1fly n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1fly h ILE 55 N -0.08 0.57 -0.27 -0.61 6.09 -1.70 -0.96 117.51 120.54 1fly h ILE 55 Ca 0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1fly h ILE 55 Cb 0.08 0.22 0.00 0.00 0.47 0.00 0.00 36.82 37.59 1fly h ILE 55 CO 0.00 0.06 0.00 0.18 -3.07 0.00 0.00 178.15 175.32 1fly n LEU 56 N -4.50 3.10 -3.94 2.19 4.77 -1.26 -4.06 117.00 113.30 1fly n LEU 56 Ca 0.22 -2.35 -0.39 0.00 -0.03 0.00 0.00 56.01 53.47 1fly n LEU 56 Cb 0.86 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 41.66 1fly n LEU 56 CO 0.30 0.69 -0.15 0.00 -1.33 0.00 0.00 177.39 176.90 1fly n GLN 57 N 0.04 -0.83 -2.52 3.23 1.13 -0.37 -4.91 117.38 113.15 1fly n GLN 57 Ca 0.14 0.23 -0.41 0.00 -1.94 0.00 0.00 57.00 55.01 1fly n GLN 57 Cb 0.56 -3.29 -0.04 0.00 0.11 0.00 0.00 30.24 27.58 1fly n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1fly s ILE 58 N -3.58 4.08 0.16 5.09 1.01 -0.17 -4.35 121.20 123.44 1fly s ILE 58 Ca 0.43 1.65 -0.27 0.00 0.00 0.00 0.00 60.65 62.46 1fly s ILE 58 Cb -0.20 -4.05 -0.08 0.00 0.01 0.00 0.00 42.46 38.14 1fly s ILE 58 CO 0.93 0.21 0.83 0.21 0.00 0.00 0.00 174.94 177.12 1fly s ASN 59 N 0.40 7.43 0.26 3.58 3.84 -1.26 -0.39 114.94 128.81 1fly s ASN 59 Ca 0.52 1.70 0.25 0.00 0.21 0.00 0.00 52.86 55.54 1fly s ASN 59 Cb -0.28 -2.53 0.88 0.00 -0.55 0.00 0.00 41.25 38.77 1fly s ASN 59 CO 0.32 0.15 1.75 0.77 -2.79 0.00 0.00 177.10 177.30 1fly h SER 60 N 4.58 0.00 -0.03 -4.21 4.64 -1.35 -2.47 113.55 114.71 1fly h SER 60 Ca -0.46 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.79 1fly h SER 60 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1fly h SER 60 CO 0.68 0.00 -0.17 -0.09 -0.87 0.00 0.00 176.83 176.37 1fly h ARG 61 N 0.00 0.38 0.00 4.77 2.43 -1.84 -3.39 114.38 116.74 1fly h ARG 61 Ca 0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1fly h ARG 61 Cb 0.60 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1fly h ARG 61 CO 0.00 0.55 -0.94 0.91 -1.51 0.00 0.00 179.97 178.98 1fly n TRP 62 N -4.19 0.00 -0.04 2.20 7.02 -1.23 -0.90 117.44 120.30 1fly n TRP 62 Ca -0.00 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.50 1fly n TRP 62 Cb 0.33 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.09 1fly n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1fly n TRP 63 N -2.04 0.00 -3.99 -5.99 7.02 -0.93 -0.07 117.44 111.44 1fly n TRP 63 Ca 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 1fly n TRP 63 Cb 0.47 -0.60 -0.08 0.00 -2.42 0.00 0.00 31.31 28.69 1fly n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1fly s ASN 65 N -2.98 5.07 0.00 0.00 2.47 -0.21 -4.28 114.94 115.01 1fly s ASN 65 Ca 0.18 -0.18 0.04 0.00 0.42 0.00 0.00 52.86 53.32 1fly s ASN 65 Cb 0.04 -1.89 0.06 0.00 -1.45 0.00 0.00 41.25 38.01 1fly s ASN 65 CO -0.00 0.02 0.82 -0.90 -3.72 0.00 0.00 177.10 173.32 1fly n ASP 66 N 4.55 1.74 0.00 -4.21 5.75 -1.26 -0.48 116.55 122.63 1fly n ASP 66 Ca -0.17 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 1fly n ASP 66 Cb 0.52 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1fly n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fly n GLY 67 N 0.03 0.44 0.93 6.12 0.00 -1.26 -4.80 105.19 106.65 1fly n GLY 67 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 1fly n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1fly n ARG 68 N -1.68 0.22 -3.80 1.61 1.85 -1.26 -4.96 116.66 108.64 1fly n ARG 68 Ca 0.00 -1.75 -0.28 0.00 -1.00 0.00 0.00 57.85 54.82 1fly n ARG 68 Cb 0.09 -0.44 -0.12 0.00 -1.05 0.00 0.00 32.46 30.94 1fly n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1fly s THR 69 N -0.47 2.24 -0.38 8.89 2.01 -1.26 -4.87 115.64 121.80 1fly s THR 69 Ca 0.21 -3.67 -0.43 0.00 0.31 0.00 0.00 61.69 58.11 1fly s THR 69 Cb 0.22 -2.50 -0.17 0.00 0.01 0.00 0.00 72.50 70.06 1fly s THR 69 CO -0.08 -1.00 1.73 -2.65 -0.69 0.00 0.00 174.62 171.93 1fly n PRO 70 N 2.46 0.63 -0.32 4.92 -0.02 -1.26 -0.20 135.00 141.22 1fly n PRO 70 Ca 0.18 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1fly n PRO 70 Cb 0.37 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1fly n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fly n GLY 71 N 4.43 0.69 3.44 -1.23 0.00 -1.26 -5.05 105.19 106.21 1fly n GLY 71 Ca 0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 1fly n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fly n SER 72 N 0.00 -1.53 -0.03 1.61 2.88 0.73 -4.96 113.62 112.31 1fly n SER 72 Ca 0.00 0.56 0.01 0.00 -1.33 0.00 0.00 58.87 58.11 1fly n SER 72 Cb 0.00 -1.18 -0.10 0.00 -0.75 0.00 0.00 64.21 62.17 1fly n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1fly n ARG 73 N -0.59 1.12 -3.70 -1.46 1.74 -0.08 -4.97 116.66 108.71 1fly n ARG 73 Ca 0.09 -0.07 -0.25 0.00 -0.77 0.00 0.00 57.85 56.86 1fly n ARG 73 Cb 0.50 -1.32 0.03 0.00 -1.02 0.00 0.00 32.46 30.65 1fly n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1fly n ASN 74 N -2.20 -2.74 0.25 0.55 5.15 -0.98 -4.91 115.26 110.38 1fly n ASN 74 Ca -0.11 -0.91 0.11 0.00 -0.60 0.00 0.00 54.58 53.07 1fly n ASN 74 Cb 0.61 -3.76 0.63 0.00 -0.53 0.00 0.00 39.78 36.74 1fly n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1fly h LEU 75 N -1.80 0.00 -0.78 1.20 3.38 -0.45 -2.06 115.31 114.80 1fly h LEU 75 Ca -0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1fly h LEU 75 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1fly h LEU 75 CO 0.54 0.17 -0.13 0.00 0.09 0.00 0.00 178.44 179.10 1fly n ASN 77 N -0.18 -3.78 -3.61 0.00 3.02 -0.78 -4.99 115.26 104.95 1fly n ASN 77 Ca 0.15 -0.72 -0.16 0.00 -0.03 0.00 0.00 54.58 53.82 1fly n ASN 77 Cb 0.36 -4.81 -0.07 0.00 -0.61 0.00 0.00 39.78 34.66 1fly n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1fly s ILE 78 N -3.44 0.03 0.32 2.41 -4.36 -1.26 -5.07 121.20 109.83 1fly s ILE 78 Ca 0.20 -0.21 -0.27 0.00 -0.26 0.00 0.00 60.65 60.11 1fly s ILE 78 Cb -0.04 -0.86 -0.09 0.00 1.25 0.00 0.00 42.46 42.72 1fly s ILE 78 CO 0.76 -0.12 1.06 -2.16 0.24 0.00 0.00 174.94 174.72 1fly s PRO 79 N -1.47 4.49 0.53 0.37 0.04 -1.26 -1.04 135.00 136.66 1fly s PRO 79 Ca -0.11 1.65 0.25 0.00 0.04 0.00 0.00 61.00 62.83 1fly s PRO 79 Cb -0.02 -2.96 1.39 0.00 0.04 0.00 0.00 34.50 32.96 1fly s PRO 79 CO 0.06 0.12 2.01 0.00 0.04 0.00 0.00 177.00 179.23 1fly h SER 81 N 0.00 0.00 0.37 0.00 4.64 -1.91 -0.42 113.55 116.24 1fly h SER 81 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1fly h SER 81 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1fly h SER 81 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1fly h ALA 82 N 1.95 1.00 -0.01 5.18 0.00 -1.56 -1.55 119.26 124.28 1fly h ALA 82 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1fly h ALA 82 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1fly h ALA 82 CO -0.00 0.00 -0.09 1.28 0.00 0.00 0.00 179.25 180.44 1fly n LEU 83 N -2.62 0.82 -0.56 0.00 4.77 -0.17 -3.73 117.00 115.52 1fly n LEU 83 Ca -0.01 -0.20 0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1fly n LEU 83 Cb 0.14 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1fly n LEU 83 CO 0.18 0.14 0.36 0.18 -1.33 0.00 0.00 177.39 176.93 1fly n LEU 84 N -0.56 2.13 -4.70 2.23 4.77 -0.58 -3.99 117.00 116.30 1fly n LEU 84 Ca 0.17 -0.81 -0.36 0.00 -0.03 0.00 0.00 56.01 54.97 1fly n LEU 84 Cb 0.29 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1fly n LEU 84 CO 0.21 0.39 0.81 -0.24 -1.33 0.00 0.00 177.39 177.23 1fly n SER 85 N 0.24 1.56 0.23 -1.43 2.88 -1.24 -4.18 113.62 111.68 1fly n SER 85 Ca 0.09 0.74 0.16 0.00 -1.33 0.00 0.00 58.87 58.53 1fly n SER 85 Cb 0.46 -1.52 0.59 0.00 -0.75 0.00 0.00 64.21 62.99 1fly n SER 85 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1fly h SER 86 N 0.05 0.00 -3.58 -3.46 4.64 -1.93 -3.39 113.55 105.86 1fly h SER 86 Ca -0.49 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.18 1fly h SER 86 Cb 1.33 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.27 1fly h SER 86 CO 0.50 0.00 0.06 -0.62 -0.87 0.00 0.00 176.83 175.90 1fly s ASP 87 N -5.35 6.35 0.00 4.97 -1.08 -1.26 -4.95 116.67 115.35 1fly s ASP 87 Ca 0.03 -0.11 0.15 0.00 -0.52 0.00 0.00 52.55 52.10 1fly s ASP 87 Cb 0.09 -2.30 0.90 0.00 -1.46 0.00 0.00 42.92 40.14 1fly s ASP 87 CO 0.52 -0.62 1.58 2.30 0.52 0.00 0.00 175.17 179.47 1fly n ILE 88 N 5.62 0.01 -0.19 4.11 -5.35 -1.26 -4.33 119.36 117.97 1fly n ILE 88 Ca -0.03 -0.02 -0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1fly n ILE 88 Cb 0.48 -0.21 0.10 0.00 -1.74 0.00 0.00 39.64 38.27 1fly n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1fly h THR 89 N 0.10 0.65 -0.31 7.28 2.02 -1.94 -0.14 112.91 120.58 1fly h THR 89 Ca 0.00 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1fly h THR 89 Cb 0.02 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1fly h THR 89 CO 0.00 0.04 0.15 0.00 0.37 0.00 0.00 175.52 176.09 1fly h ALA 90 N 1.46 0.40 -0.57 6.16 0.00 -1.86 -0.91 119.26 123.93 1fly h ALA 90 Ca 0.30 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1fly h ALA 90 Cb 0.43 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1fly h ALA 90 CO -0.39 -0.05 0.32 0.77 0.00 0.00 0.00 179.25 179.90 1fly h SER 91 N 0.37 0.50 -0.47 0.00 0.02 -1.66 -1.75 113.55 110.55 1fly h SER 91 Ca 0.11 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1fly h SER 91 Cb 0.10 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1fly h SER 91 CO -0.01 0.34 0.11 0.58 -1.14 0.00 0.00 176.83 176.70 1fly h VAL 92 N 0.63 1.24 -0.37 2.27 2.07 -0.73 -0.03 116.25 121.33 1fly h VAL 92 Ca 0.24 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 1fly h VAL 92 Cb 0.09 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1fly h VAL 92 CO -0.13 0.30 -0.08 0.78 0.02 0.00 0.00 177.57 178.46 1fly h ASN 93 N 0.64 0.61 -0.10 0.57 -0.26 -0.89 -0.15 115.58 115.99 1fly h ASN 93 Ca 0.15 -0.15 -0.23 0.00 -0.56 0.00 0.00 56.30 55.51 1fly h ASN 93 Cb 0.34 -0.16 0.01 0.00 -1.06 0.00 0.00 38.32 37.45 1fly h ASN 93 CO 0.00 0.73 -0.81 0.00 -1.06 0.00 0.00 177.43 176.29 1fly h ALA 95 N 0.56 1.47 -0.27 0.00 0.00 -0.51 -1.16 119.26 119.36 1fly h ALA 95 Ca -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1fly h ALA 95 Cb 1.44 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1fly h ALA 95 CO 0.16 0.45 0.08 0.87 0.00 0.00 0.00 179.25 180.81 1fly h LYS 96 N 0.84 0.39 0.07 0.00 1.57 -0.93 -1.32 116.57 117.19 1fly h LYS 96 Ca 0.22 -0.05 -0.28 0.00 -1.87 0.00 0.00 60.65 58.67 1fly h LYS 96 Cb -0.01 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.25 1fly h LYS 96 CO -0.04 0.35 -1.14 0.87 -0.57 0.00 0.00 179.45 178.92 1fly h LYS 97 N 0.38 0.58 0.05 3.15 1.57 -1.15 -3.14 116.57 118.01 1fly h LYS 97 Ca 0.09 -0.71 -0.00 0.00 -1.87 0.00 0.00 60.65 58.16 1fly h LYS 97 Cb 0.14 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1fly h LYS 97 CO -0.01 1.30 -0.02 0.82 -0.57 0.00 0.00 179.45 180.97 1fly h ILE 98 N 0.28 1.04 0.00 1.86 2.04 -0.88 -2.86 117.51 118.99 1fly h ILE 98 Ca -0.15 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 1fly h ILE 98 Cb 1.81 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 39.13 1fly h ILE 98 CO 0.21 0.08 -0.02 1.62 0.00 0.00 0.00 178.15 180.04 1fly h VAL 99 N -0.20 0.07 0.00 1.67 3.04 -1.38 -0.02 116.25 119.44 1fly h VAL 99 Ca -0.01 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1fly h VAL 99 Cb 0.18 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1fly h VAL 99 CO 0.01 0.02 0.00 -1.20 -1.01 0.00 0.00 177.57 175.39 1fly n SER 100 N -3.15 0.36 -4.28 3.17 7.64 -1.08 -3.89 113.62 112.38 1fly n SER 100 Ca -0.01 0.54 -0.29 0.00 1.01 0.00 0.00 58.87 60.12 1fly n SER 100 Cb 0.20 -0.63 0.22 0.00 -1.01 0.00 0.00 64.21 62.98 1fly n SER 100 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1fly s ASP 101 N -3.67 1.57 0.43 6.43 -0.00 -0.02 -4.93 116.67 116.49 1fly s ASP 101 Ca 0.11 0.98 0.16 0.00 -0.00 0.00 0.00 52.55 53.81 1fly s ASP 101 Cb 0.15 -1.50 1.07 0.00 -0.00 0.00 0.00 42.92 42.64 1fly s ASP 101 CO 0.51 -3.76 1.92 0.00 -0.00 0.00 0.00 175.17 173.84 1fly h ALA 102 N -2.33 2.14 -0.02 5.23 0.00 -1.88 -2.77 119.26 119.63 1fly h ALA 102 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1fly h ALA 102 Cb 1.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1fly h ALA 102 CO 0.47 -0.34 0.00 0.09 0.00 0.00 0.00 179.25 179.47 1fly n ASN 103 N -4.48 1.61 0.00 0.00 3.02 -1.26 -5.04 115.26 109.11 1fly n ASN 103 Ca 0.15 -1.54 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 1fly n ASN 103 Cb 0.55 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 1fly n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fly n GLY 104 N 1.19 2.96 0.00 7.41 0.00 -1.05 -2.39 105.19 113.30 1fly n GLY 104 Ca 0.19 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.94 1fly n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fly n MET 105 N 13.68 0.18 0.00 1.61 2.81 -1.26 -2.83 117.12 131.31 1fly n MET 105 Ca 0.00 0.11 0.04 0.00 -1.81 0.00 0.00 57.70 56.04 1fly n MET 105 Cb 0.00 -1.50 0.18 0.00 -0.71 0.00 0.00 33.22 31.19 1fly n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1fly n ASN 106 N -1.37 0.00 0.29 7.83 3.02 -1.01 -1.18 115.26 122.84 1fly n ASN 106 Ca 0.08 0.49 0.19 0.00 -0.03 0.00 0.00 54.58 55.31 1fly n ASN 106 Cb 0.20 -0.49 0.87 0.00 -0.61 0.00 0.00 39.78 39.75 1fly n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fly h ALA 107 N 2.30 1.00 -2.72 5.41 0.00 -1.70 -3.38 119.26 120.16 1fly h ALA 107 Ca 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.19 1fly h ALA 107 Cb 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.68 1fly h ALA 107 CO 0.00 0.00 -0.47 -1.58 0.00 0.00 0.00 179.25 177.20 1fly s TRP 108 N -3.82 3.27 0.29 0.00 0.51 -0.33 -4.97 118.94 113.89 1fly s TRP 108 Ca -0.01 -1.12 0.01 0.00 -2.12 0.00 0.00 56.10 52.87 1fly s TRP 108 Cb 0.10 -2.69 0.56 0.00 -0.81 0.00 0.00 33.47 30.63 1fly s TRP 108 CO 0.48 -0.73 1.87 -0.24 -0.51 0.00 0.00 176.95 177.83 1fly h VAL 109 N 5.92 0.98 -0.62 4.03 3.04 -1.85 -1.54 116.25 126.21 1fly h VAL 109 Ca -0.25 -0.34 -0.06 0.00 -1.01 0.00 0.00 66.70 65.03 1fly h VAL 109 Cb 1.10 -0.11 -0.03 0.00 -2.01 0.00 0.00 31.29 30.24 1fly h VAL 109 CO 0.72 0.18 0.13 0.00 -1.01 0.00 0.00 177.57 177.60 1fly h ALA 110 N 1.52 1.07 -0.16 3.17 0.00 -1.93 -0.40 119.26 122.54 1fly h ALA 110 Ca 0.45 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1fly h ALA 110 Cb 0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1fly h ALA 110 CO -0.21 0.61 0.00 2.35 0.00 0.00 0.00 179.25 182.01 1fly h TRP 111 N 0.93 0.31 -0.35 0.00 7.01 -1.62 0.85 115.95 123.08 1fly h TRP 111 Ca 0.20 -0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.17 1fly h TRP 111 Cb 0.36 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.31 1fly h TRP 111 CO 0.02 0.50 0.18 -0.09 -2.79 0.00 0.00 178.44 176.26 1fly h ARG 112 N 0.03 0.36 0.00 2.65 2.43 -1.16 0.49 114.38 119.18 1fly h ARG 112 Ca 0.05 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 1fly h ARG 112 Cb 0.37 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1fly h ARG 112 CO 0.01 0.24 -0.77 -0.91 -1.51 0.00 0.00 179.97 177.03 1fly h ASN 113 N 0.37 0.00 0.00 -3.80 2.35 -1.04 -3.35 115.58 110.12 1fly h ASN 113 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1fly h ASN 113 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1fly h ASN 113 CO -0.10 0.52 -0.14 0.54 -1.65 0.00 0.00 177.43 176.60 1fly n ARG 114 N -3.12 5.17 -0.02 0.81 1.74 0.29 -4.86 116.66 116.66 1fly n ARG 114 Ca -0.01 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.03 1fly n ARG 114 Cb 0.76 -0.51 -0.02 0.00 -1.02 0.00 0.00 32.46 31.67 1fly n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fly n LYS 116 N -2.87 1.27 -1.12 0.00 4.81 0.15 -1.14 118.16 119.27 1fly n LYS 116 Ca -0.09 0.46 -0.04 0.00 -0.87 0.00 0.00 58.31 57.77 1fly n LYS 116 Cb 0.58 -2.15 -0.02 0.00 0.02 0.00 0.00 35.03 33.46 1fly n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fly n GLY 117 N 3.66 0.69 3.76 3.14 0.00 -1.26 -4.96 105.19 110.22 1fly n GLY 117 Ca 0.23 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 1fly n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fly s THR 118 N -2.09 2.35 -1.22 2.61 -4.23 -0.30 -5.01 115.64 107.75 1fly s THR 118 Ca 0.00 -1.65 -0.21 0.00 -1.18 0.00 0.00 61.69 58.66 1fly s THR 118 Cb 0.00 -2.99 -0.02 0.00 1.34 0.00 0.00 72.50 70.82 1fly s THR 118 CO 0.00 0.00 1.85 -0.62 -0.54 0.00 0.00 174.62 175.31 1fly s ASP 119 N -3.94 5.77 0.35 3.99 2.15 -1.26 -4.73 116.67 119.00 1fly s ASP 119 Ca 0.42 -1.96 0.26 0.00 0.43 0.00 0.00 52.55 51.71 1fly s ASP 119 Cb 0.03 -2.58 1.22 0.00 -0.30 0.00 0.00 42.92 41.28 1fly s ASP 119 CO 0.23 -2.30 1.79 -0.37 -0.17 0.00 0.00 175.17 174.36 1fly h VAL 120 N 5.97 0.00 0.00 1.11 -1.51 -1.90 -2.66 116.25 117.26 1fly h VAL 120 Ca 0.31 -0.19 -0.00 0.00 -1.23 0.00 0.00 66.70 65.58 1fly h VAL 120 Cb 0.91 0.91 -0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1fly h VAL 120 CO 1.32 0.00 -0.02 1.56 -1.23 0.00 0.00 177.57 179.20 1fly h GLN 121 N 0.00 0.00 -0.14 5.19 7.50 -1.88 -1.09 115.11 124.69 1fly h GLN 121 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1fly h GLN 121 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.77 1fly h GLN 121 CO 0.00 0.02 0.09 0.00 -1.50 0.00 0.00 178.83 177.44 1fly h ALA 122 N 1.98 1.90 0.00 3.87 0.00 -1.86 -2.37 119.26 122.78 1fly h ALA 122 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fly h ALA 122 Cb 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1fly h ALA 122 CO 0.00 0.09 0.00 -1.49 0.00 0.00 0.00 179.25 177.85 1fly h TRP 123 N 0.19 0.00 -0.02 0.00 4.06 -1.43 -2.81 115.95 115.94 1fly h TRP 123 Ca 0.05 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.00 1fly h TRP 123 Cb -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.14 1fly h TRP 123 CO -0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1fly n ILE 124 N -2.62 0.39 -1.85 1.49 -5.35 -0.91 -4.83 119.36 105.68 1fly n ILE 124 Ca 0.00 -0.69 -0.38 0.00 -0.27 0.00 0.00 62.75 61.41 1fly n ILE 124 Cb 0.19 0.83 0.04 0.00 -1.74 0.00 0.00 39.64 38.96 1fly n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1fly s ARG 125 N -0.48 3.11 0.00 6.28 3.52 -1.06 -2.14 118.95 128.17 1fly s ARG 125 Ca 0.03 2.12 0.00 0.00 -0.13 0.00 0.00 55.73 57.75 1fly s ARG 125 Cb 0.02 -2.19 0.00 0.00 -1.56 0.00 0.00 34.95 31.22 1fly s ARG 125 CO 0.02 -1.18 0.00 0.41 -0.81 0.00 0.00 175.30 173.74 1fly n GLY 126 N 0.70 1.56 3.84 8.12 0.00 -1.26 -5.00 105.19 113.16 1fly n GLY 126 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1fly n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fly s ARG 128 N -1.34 3.18 0.00 0.00 3.52 -1.26 -5.12 118.95 117.93 1fly s ARG 128 Ca 0.27 -0.70 0.07 0.00 -0.13 0.00 0.00 55.73 55.23 1fly s ARG 128 Cb -0.16 -4.29 0.05 0.00 -1.56 0.00 0.00 34.95 28.99 1fly s ARG 128 CO 0.15 -1.94 0.71 1.28 -0.81 0.00 0.00 175.30 174.69