#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6c s VAL 2 N 0.00 3.78 0.49 3.15 1.01 -1.26 -0.62 120.40 126.96 3a6c s VAL 2 Ca 0.00 -0.95 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 3a6c s VAL 2 Cb 0.00 -3.05 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 3a6c s VAL 2 CO 0.00 -0.05 1.07 -0.36 0.00 0.00 0.00 175.10 175.77 3a6c s PHE 3 N 1.43 2.91 0.44 5.22 0.40 0.36 -4.99 117.98 123.76 3a6c s PHE 3 Ca 0.00 1.57 -0.11 0.00 -0.60 0.00 0.00 56.93 57.79 3a6c s PHE 3 Cb -0.18 -3.15 -0.06 0.00 0.51 0.00 0.00 43.02 40.13 3a6c s PHE 3 CO 0.02 -1.07 0.81 0.20 0.70 0.00 0.00 175.22 175.88 3a6c s GLY 4 N -1.85 1.91 0.12 4.36 0.00 -1.26 -4.83 107.32 105.77 3a6c s GLY 4 Ca 0.68 -0.18 -0.27 0.00 0.00 0.00 0.00 44.72 44.96 3a6c s GLY 4 CO 0.23 0.03 1.62 -0.09 0.00 0.00 0.00 173.10 174.89 3a6c h ARG 5 N 1.05 -0.44 0.00 2.90 2.43 -1.96 -0.66 114.38 117.70 3a6c h ARG 5 Ca -0.47 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.65 3a6c h ARG 5 Cb 1.19 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 3a6c h ARG 5 CO 0.63 -0.29 -0.39 0.00 -1.51 0.00 0.00 179.97 178.41 3a6c h GLU 7 N 0.00 0.51 -0.31 0.00 4.81 -1.81 -1.72 114.58 116.06 3a6c h GLU 7 Ca -0.00 -0.13 -0.14 0.00 -0.13 0.00 0.00 59.36 58.96 3a6c h GLU 7 Cb 0.70 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 3a6c h GLU 7 CO 0.05 0.58 -0.37 1.25 -0.73 0.00 0.00 179.01 179.79 3a6c h LEU 8 N 0.34 0.76 -0.41 1.64 5.85 -0.92 -1.61 115.31 120.96 3a6c h LEU 8 Ca 0.10 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.51 3a6c h LEU 8 Cb 0.31 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3a6c h LEU 8 CO 0.00 1.05 0.23 0.00 -0.34 0.00 0.00 178.44 179.38 3a6c h ALA 9 N 0.99 0.52 -0.65 1.25 0.00 -1.11 0.17 119.26 120.43 3a6c h ALA 9 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3a6c h ALA 9 Cb 0.91 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3a6c h ALA 9 CO 0.08 -0.11 0.07 0.00 0.00 0.00 0.00 179.25 179.29 3a6c h ALA 10 N 1.20 0.90 -0.34 0.00 0.00 -1.19 -1.86 119.26 117.97 3a6c h ALA 10 Ca 0.17 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3a6c h ALA 10 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3a6c h ALA 10 CO -0.09 0.67 0.06 0.00 0.00 0.00 0.00 179.25 179.89 3a6c h ALA 11 N 1.05 0.45 -0.00 0.00 0.00 -0.83 -1.87 119.26 118.05 3a6c h ALA 11 Ca 0.19 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3a6c h ALA 11 Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3a6c h ALA 11 CO 0.02 0.14 -0.31 0.52 0.00 0.00 0.00 179.25 179.62 3a6c h MET 12 N 0.39 0.00 -0.29 0.00 2.86 -0.54 0.43 114.93 117.78 3a6c h MET 12 Ca 0.10 -0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.61 3a6c h MET 12 Cb 0.34 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 3a6c h MET 12 CO 0.00 0.31 -0.34 -0.22 1.06 0.00 0.00 176.91 177.72 3a6c h LYS 13 N 0.00 0.74 -0.14 1.72 3.64 -1.15 -1.39 116.57 120.00 3a6c h LYS 13 Ca -0.00 -0.41 -0.06 0.00 -1.27 0.00 0.00 60.65 58.90 3a6c h LYS 13 Cb 0.55 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3a6c h LYS 13 CO 0.04 1.04 -0.21 -0.09 -2.27 0.00 0.00 179.45 177.96 3a6c h ARG 14 N 0.49 0.23 -0.51 1.90 2.43 -0.80 -1.91 114.38 116.22 3a6c h ARG 14 Ca 0.04 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3a6c h ARG 14 Cb 0.93 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 3a6c h ARG 14 CO 0.08 0.43 0.00 0.72 -1.51 0.00 0.00 179.97 179.70 3a6c n HIS 15 N -4.21 0.38 -2.39 2.20 8.25 0.09 -4.92 115.22 114.63 3a6c n HIS 15 Ca -0.01 -0.15 -0.14 0.00 -0.26 0.00 0.00 57.72 57.16 3a6c n HIS 15 Cb 0.32 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.34 3a6c n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a6c n GLY 16 N 0.51 -0.17 0.06 -1.41 0.00 -0.72 -4.95 105.19 98.52 3a6c n GLY 16 Ca 0.07 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.92 3a6c n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a6c n LEU 17 N -2.15 0.65 -4.58 0.99 4.77 -0.55 -4.52 117.00 111.60 3a6c n LEU 17 Ca -0.14 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 3a6c n LEU 17 Cb 0.61 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 3a6c n LEU 17 CO 0.22 -0.05 1.75 -0.62 -1.33 0.00 0.00 177.39 177.36 3a6c s ASP 18 N -4.44 5.37 -0.55 -1.43 2.15 -1.26 -1.68 116.67 114.83 3a6c s ASP 18 Ca 0.02 1.35 0.00 0.00 0.43 0.00 0.00 52.55 54.35 3a6c s ASP 18 Cb 0.13 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 3a6c s ASP 18 CO 0.79 -2.12 0.00 0.59 -0.17 0.00 0.00 175.17 174.26 3a6c n ASN 19 N 12.21 -3.97 -4.68 -0.34 3.02 -0.07 -4.84 115.26 116.58 3a6c n ASN 19 Ca 0.28 0.13 -0.42 0.00 -0.03 0.00 0.00 54.58 54.53 3a6c n ASN 19 Cb 0.48 -1.93 -0.03 0.00 -0.61 0.00 0.00 39.78 37.70 3a6c n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3a6c s TYR 20 N -2.07 1.98 -1.64 3.10 5.04 -0.68 -2.17 117.35 120.91 3a6c s TYR 20 Ca 0.00 -0.06 -0.13 0.00 -2.44 0.00 0.00 57.07 54.43 3a6c s TYR 20 Cb 0.00 -4.15 0.12 0.00 0.35 0.00 0.00 41.96 38.27 3a6c s TYR 20 CO 0.00 -4.84 0.63 0.54 -1.34 0.00 0.00 175.55 170.55 3a6c n ARG 21 N 6.17 -2.89 -0.91 4.97 5.12 -1.26 -1.61 116.66 126.24 3a6c n ARG 21 Ca 0.18 0.35 0.00 0.00 -1.93 0.00 0.00 57.85 56.44 3a6c n ARG 21 Cb 0.39 -4.83 0.00 0.00 -1.16 0.00 0.00 32.46 26.86 3a6c n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a6c n GLY 22 N -1.60 0.69 3.28 -0.13 0.00 -0.92 -5.03 105.19 101.47 3a6c n GLY 22 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 3a6c n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a6c s TYR 23 N -2.65 3.26 0.73 1.61 2.02 -0.63 -4.95 117.35 116.74 3a6c s TYR 23 Ca 0.00 -1.42 -0.16 0.00 -0.37 0.00 0.00 57.07 55.13 3a6c s TYR 23 Cb 0.00 -2.32 0.03 0.00 -0.40 0.00 0.00 41.96 39.27 3a6c s TYR 23 CO 0.00 -0.73 1.21 -1.13 -1.57 0.00 0.00 175.55 173.32 3a6c n SER 24 N 4.82 1.38 -0.34 2.29 3.41 -1.26 -0.90 113.62 123.02 3a6c n SER 24 Ca -0.12 0.70 0.17 0.00 -0.26 0.00 0.00 58.87 59.36 3a6c n SER 24 Cb 0.45 -1.51 0.39 0.00 -0.26 0.00 0.00 64.21 63.27 3a6c n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3a6c h LEU 25 N -0.23 0.66 -1.54 1.04 5.85 -1.89 -0.50 115.31 118.71 3a6c h LEU 25 Ca -0.48 0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.44 3a6c h LEU 25 Cb 1.32 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 3a6c h LEU 25 CO 0.49 0.17 0.44 1.23 -0.34 0.00 0.00 178.44 180.43 3a6c h GLY 26 N 0.60 0.74 1.01 3.75 0.00 -1.91 -1.71 103.07 105.55 3a6c h GLY 26 Ca 0.60 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3a6c h GLY 26 CO -0.39 0.13 0.45 3.43 0.00 0.00 0.00 176.54 180.17 3a6c h ASN 27 N 0.52 0.83 -0.33 0.19 2.35 -1.30 -0.92 115.58 116.92 3a6c h ASN 27 Ca 0.31 -0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.86 3a6c h ASN 27 Cb 0.50 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3a6c h ASN 27 CO -0.10 0.62 -0.40 -0.50 -1.65 0.00 0.00 177.43 175.40 3a6c h TRP 28 N 0.97 1.07 -0.26 1.19 4.06 -1.40 -0.51 115.95 121.06 3a6c h TRP 28 Ca 0.26 -0.32 -0.08 0.00 2.06 0.00 0.00 58.89 60.80 3a6c h TRP 28 Cb -0.08 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 27.85 3a6c h TRP 28 CO -0.02 1.14 -0.16 0.28 -3.56 0.00 0.00 178.44 176.12 3a6c h VAL 29 N 0.72 1.30 -0.82 1.49 2.07 -1.35 -1.60 116.25 118.07 3a6c h VAL 29 Ca 0.06 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 3a6c h VAL 29 Cb 0.99 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 3a6c h VAL 29 CO 0.10 0.40 0.48 0.00 0.02 0.00 0.00 177.57 178.57 3a6c h ALA 31 N 1.26 0.30 -0.78 0.00 0.00 -0.92 -2.12 119.26 117.00 3a6c h ALA 31 Ca 0.29 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3a6c h ALA 31 Cb -0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3a6c h ALA 31 CO -0.05 -0.20 0.42 0.00 0.00 0.00 0.00 179.25 179.41 3a6c h ALA 32 N 1.06 1.27 0.12 0.00 0.00 -0.89 0.82 119.26 121.64 3a6c h ALA 32 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a6c h ALA 32 Cb -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3a6c h ALA 32 CO -0.02 0.59 -0.10 -0.22 0.00 0.00 0.00 179.25 179.50 3a6c h LYS 33 N 1.09 -0.22 0.00 0.00 1.63 -0.62 -1.43 116.57 117.03 3a6c h LYS 33 Ca 0.27 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 3a6c h LYS 33 Cb 0.04 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 3a6c h LYS 33 CO -0.04 -0.15 -0.40 0.74 -3.45 0.00 0.00 179.45 176.15 3a6c h PHE 34 N -0.23 0.00 0.08 1.91 0.04 -1.25 -0.18 116.94 117.31 3a6c h PHE 34 Ca 0.00 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.57 3a6c h PHE 34 Cb 0.22 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 3a6c h PHE 34 CO -0.11 0.00 -1.02 0.93 -0.60 0.00 0.00 178.31 177.51 3a6c h GLU 35 N 0.00 0.16 0.00 1.51 4.39 -0.79 -3.43 114.58 116.42 3a6c h GLU 35 Ca 0.00 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3a6c h GLU 35 Cb 0.84 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 3a6c h GLU 35 CO 0.00 1.13 0.00 -1.13 -1.16 0.00 0.00 179.01 177.85 3a6c n SER 36 N -4.17 0.48 -3.40 1.42 3.41 -0.61 -4.82 113.62 105.92 3a6c n SER 36 Ca -0.22 -1.01 -0.24 0.00 -0.26 0.00 0.00 58.87 57.15 3a6c n SER 36 Cb 0.77 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.78 3a6c n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3a6c n ASN 37 N -0.01 -6.21 -0.82 4.04 5.15 -0.08 -2.11 115.26 115.22 3a6c n ASN 37 Ca 0.00 -0.46 -0.11 0.00 -0.60 0.00 0.00 54.58 53.42 3a6c n ASN 37 Cb 0.14 -4.94 -0.05 0.00 -0.53 0.00 0.00 39.78 34.41 3a6c n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3a6c n PHE 38 N -4.81 0.00 -3.34 1.20 3.72 -1.10 -4.84 117.46 108.29 3a6c n PHE 38 Ca -0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.94 3a6c n PHE 38 Cb 0.58 -2.25 -0.09 0.00 -0.94 0.00 0.00 39.48 36.79 3a6c n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3a6c s ASN 39 N -2.64 6.20 0.53 4.37 2.47 -0.90 -0.49 114.94 124.49 3a6c s ASN 39 Ca 0.00 -0.49 0.35 0.00 0.42 0.00 0.00 52.86 53.14 3a6c s ASN 39 Cb 0.00 -2.22 1.67 0.00 -1.45 0.00 0.00 41.25 39.25 3a6c s ASN 39 CO 0.00 -0.50 2.05 0.71 -3.72 0.00 0.00 177.10 175.64 3a6c h THR 40 N 5.66 0.00 -0.11 -5.21 1.35 -1.19 -2.78 112.91 110.64 3a6c h THR 40 Ca -0.28 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3a6c h THR 40 Cb 1.12 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3a6c h THR 40 CO 0.76 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.03 3a6c n GLN 41 N -2.88 2.26 -1.78 4.72 1.13 -1.26 -3.85 117.38 115.73 3a6c n GLN 41 Ca -0.01 -1.85 -0.41 0.00 -1.94 0.00 0.00 57.00 52.79 3a6c n GLN 41 Cb 0.18 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 29.05 3a6c n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3a6c s ALA 42 N -1.89 3.73 0.03 -1.58 0.00 -1.05 -4.76 121.76 116.23 3a6c s ALA 42 Ca 0.32 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.86 3a6c s ALA 42 Cb 0.21 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 3a6c s ALA 42 CO 0.31 -1.00 -0.04 0.95 0.00 0.00 0.00 175.76 175.98 3a6c s THR 43 N -0.15 0.19 -0.15 0.00 -4.23 -1.26 -0.69 115.64 109.34 3a6c s THR 43 Ca 0.62 -1.01 -0.04 0.00 -1.18 0.00 0.00 61.69 60.08 3a6c s THR 43 Cb -0.48 -0.42 0.08 0.00 1.34 0.00 0.00 72.50 73.02 3a6c s THR 43 CO 0.50 -0.52 0.25 0.21 -0.54 0.00 0.00 174.62 174.52 3a6c s ASN 44 N -1.60 0.67 0.11 3.99 2.47 -0.77 -4.95 114.94 114.86 3a6c s ASN 44 Ca -0.13 0.31 -0.30 0.00 0.42 0.00 0.00 52.86 53.16 3a6c s ASN 44 Cb -0.09 0.60 -0.06 0.00 -1.45 0.00 0.00 41.25 40.25 3a6c s ASN 44 CO -0.01 -0.27 1.03 -0.60 -3.72 0.00 0.00 177.10 173.53 3a6c s ARG 45 N 2.39 4.62 0.28 0.43 3.52 -1.26 -0.64 118.95 128.29 3a6c s ARG 45 Ca 0.04 1.57 0.07 0.00 -0.13 0.00 0.00 55.73 57.27 3a6c s ARG 45 Cb -0.13 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 3a6c s ARG 45 CO -0.10 0.09 0.29 -0.80 -0.81 0.00 0.00 175.30 173.97 3a6c s ASN 46 N 0.20 5.67 0.41 -2.12 0.01 0.13 -4.97 114.94 114.27 3a6c s ASN 46 Ca 0.50 -0.24 0.09 0.00 -0.71 0.00 0.00 52.86 52.49 3a6c s ASN 46 Cb -0.26 -1.36 0.90 0.00 0.41 0.00 0.00 41.25 40.94 3a6c s ASN 46 CO 0.31 -0.17 2.02 0.71 -1.51 0.00 0.00 177.10 178.46 3a6c h THR 47 N 1.29 1.03 0.00 1.60 1.35 -1.97 -1.81 112.91 114.40 3a6c h THR 47 Ca -0.48 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3a6c h THR 47 Cb 1.24 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3a6c h THR 47 CO 0.59 0.10 0.00 -0.90 -0.25 0.00 0.00 175.52 175.06 3a6c n ASP 48 N -4.47 0.00 0.00 5.36 5.75 -1.26 -4.84 116.55 117.09 3a6c n ASP 48 Ca 0.06 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 3a6c n ASP 48 Cb 0.18 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 3a6c n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a6c n GLY 49 N 0.50 1.25 3.95 6.12 0.00 -0.68 -4.67 105.19 111.65 3a6c n GLY 49 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 3a6c n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a6c s SER 50 N -3.06 4.91 0.02 1.61 1.04 -1.26 -4.49 113.70 112.47 3a6c s SER 50 Ca 0.00 0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.71 3a6c s SER 50 Cb 0.00 -0.97 -0.01 0.00 0.10 0.00 0.00 66.02 65.14 3a6c s SER 50 CO 0.00 -1.49 -0.05 -0.89 0.98 0.00 0.00 173.24 171.80 3a6c s THR 51 N -3.10 0.33 -0.15 2.02 2.01 -1.26 0.20 115.64 115.70 3a6c s THR 51 Ca 0.60 -0.62 -0.12 0.00 0.31 0.00 0.00 61.69 61.86 3a6c s THR 51 Cb -0.10 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 71.99 3a6c s THR 51 CO 0.43 -0.20 0.24 -1.81 -0.69 0.00 0.00 174.62 172.59 3a6c s ASP 52 N -0.87 6.41 -0.05 3.53 1.01 0.18 -1.18 116.67 125.71 3a6c s ASP 52 Ca -0.06 0.48 0.06 0.00 0.71 0.00 0.00 52.55 53.74 3a6c s ASP 52 Cb -0.06 -2.15 -0.02 0.00 1.01 0.00 0.00 42.92 41.70 3a6c s ASP 52 CO -0.00 0.19 -0.23 -0.31 0.21 0.00 0.00 175.17 175.04 3a6c s TYR 53 N 0.04 2.47 0.00 4.23 1.51 0.51 -1.85 117.35 124.25 3a6c s TYR 53 Ca 0.15 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 3a6c s TYR 53 Cb -0.13 -1.58 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 3a6c s TYR 53 CO 0.03 -0.07 0.00 0.41 -1.11 0.00 0.00 175.55 174.82 3a6c n GLY 54 N 2.65 -1.84 0.41 0.71 0.00 0.13 -0.66 105.19 106.60 3a6c n GLY 54 Ca -0.17 -1.33 0.21 0.00 0.00 0.00 0.00 46.02 44.73 3a6c n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3a6c h ILE 55 N 0.00 0.65 -0.16 -0.61 6.09 -1.66 -0.30 117.51 121.52 3a6c h ILE 55 Ca 0.00 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.39 3a6c h ILE 55 Cb 0.00 0.33 0.00 0.00 0.47 0.00 0.00 36.82 37.62 3a6c h ILE 55 CO 0.00 0.05 0.00 0.18 -3.07 0.00 0.00 178.15 175.31 3a6c n LEU 56 N -4.45 3.29 -4.11 2.19 4.77 -1.26 -4.07 117.00 113.35 3a6c n LEU 56 Ca 0.19 -3.04 -0.46 0.00 -0.03 0.00 0.00 56.01 52.66 3a6c n LEU 56 Cb 0.75 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 41.35 3a6c n LEU 56 CO 0.33 0.69 -0.19 0.00 -1.33 0.00 0.00 177.39 176.88 3a6c n GLN 57 N -0.86 -0.26 -2.57 3.23 1.13 -0.12 -4.87 117.38 113.05 3a6c n GLN 57 Ca 0.19 0.06 -0.42 0.00 -1.94 0.00 0.00 57.00 54.89 3a6c n GLN 57 Cb 0.79 -2.55 -0.03 0.00 0.11 0.00 0.00 30.24 28.57 3a6c n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3a6c s ILE 58 N -3.60 4.51 0.24 5.09 1.01 0.17 -4.31 121.20 124.30 3a6c s ILE 58 Ca 0.46 1.80 -0.30 0.00 0.00 0.00 0.00 60.65 62.61 3a6c s ILE 58 Cb -0.25 -4.16 -0.09 0.00 0.01 0.00 0.00 42.46 37.97 3a6c s ILE 58 CO 0.98 0.05 1.19 0.21 0.00 0.00 0.00 174.94 177.37 3a6c s ASN 59 N 1.21 7.09 0.00 3.58 2.47 -1.26 -0.36 114.94 127.66 3a6c s ASN 59 Ca 0.53 2.32 0.30 0.00 0.42 0.00 0.00 52.86 56.43 3a6c s ASN 59 Cb -0.23 -2.62 1.47 0.00 -1.45 0.00 0.00 41.25 38.42 3a6c s ASN 59 CO 0.23 -0.33 2.00 -1.54 -3.72 0.00 0.00 177.10 173.74 3a6c n SER 60 N 1.86 0.23 -0.02 -4.21 3.41 -0.33 -1.43 113.62 113.14 3a6c n SER 60 Ca 0.02 -0.53 -0.12 0.00 -0.26 0.00 0.00 58.87 57.98 3a6c n SER 60 Cb 0.44 -0.14 -0.14 0.00 -0.26 0.00 0.00 64.21 64.12 3a6c n SER 60 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3a6c n ARG 61 N -1.05 0.66 -0.05 4.33 0.63 -1.26 -4.58 116.66 115.34 3a6c n ARG 61 Ca 0.16 0.28 -0.07 0.00 -0.92 0.00 0.00 57.85 57.31 3a6c n ARG 61 Cb 0.23 -1.77 -0.05 0.00 0.45 0.00 0.00 32.46 31.32 3a6c n ARG 61 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 3a6c n TRP 62 N -3.15 0.00 -0.13 -0.14 7.02 -1.23 -1.54 117.44 118.27 3a6c n TRP 62 Ca -0.21 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.06 3a6c n TRP 62 Cb 1.05 -0.41 -0.11 0.00 -2.42 0.00 0.00 31.31 29.43 3a6c n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3a6c n TRP 63 N -2.79 0.00 -4.39 -5.99 7.02 -0.51 0.04 117.44 110.81 3a6c n TRP 63 Ca -0.19 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.09 3a6c n TRP 63 Cb 0.71 -0.94 -0.10 0.00 -2.42 0.00 0.00 31.31 28.55 3a6c n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3a6c s ASN 65 N -3.39 5.38 0.00 0.00 2.47 -0.46 -4.32 114.94 114.63 3a6c s ASN 65 Ca 0.26 -0.21 0.08 0.00 0.42 0.00 0.00 52.86 53.40 3a6c s ASN 65 Cb -0.00 -1.98 0.17 0.00 -1.45 0.00 0.00 41.25 37.99 3a6c s ASN 65 CO 0.10 -0.06 1.06 -0.90 -3.72 0.00 0.00 177.10 173.57 3a6c n ASP 66 N 4.96 2.37 -0.45 -4.21 5.68 -1.26 -1.42 116.55 122.22 3a6c n ASP 66 Ca -0.15 -1.81 -0.06 0.00 -0.50 0.00 0.00 54.79 52.27 3a6c n ASP 66 Cb 0.51 -0.12 -0.03 0.00 -1.14 0.00 0.00 41.12 40.35 3a6c n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a6c n GLY 67 N 0.28 0.62 0.00 6.12 0.00 -1.26 -4.76 105.19 106.19 3a6c n GLY 67 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3a6c n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a6c n ARG 68 N -0.43 0.57 -3.91 1.61 1.74 -1.26 -5.06 116.66 109.92 3a6c n ARG 68 Ca -0.06 -0.62 -0.36 0.00 -0.77 0.00 0.00 57.85 56.05 3a6c n ARG 68 Cb 0.49 -0.68 -0.13 0.00 -1.02 0.00 0.00 32.46 31.13 3a6c n ARG 68 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3a6c s THR 69 N -0.23 4.04 0.30 0.55 2.01 -1.26 -4.87 115.64 116.18 3a6c s THR 69 Ca 0.00 -0.27 -0.29 0.00 0.31 0.00 0.00 61.69 61.43 3a6c s THR 69 Cb 0.00 -2.85 -0.10 0.00 0.01 0.00 0.00 72.50 69.55 3a6c s THR 69 CO 0.00 0.39 1.43 -2.84 -0.69 0.00 0.00 174.62 172.91 3a6c s PRO 70 N 1.31 4.25 -1.12 4.92 0.02 -1.26 -2.82 135.00 140.30 3a6c s PRO 70 Ca 0.04 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.42 3a6c s PRO 70 Cb -0.15 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3a6c s PRO 70 CO 0.02 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.70 3a6c n GLY 71 N 1.49 1.17 3.76 0.52 0.00 -1.26 -4.93 105.19 105.94 3a6c n GLY 71 Ca 0.04 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 3a6c n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3a6c n SER 72 N 0.28 3.59 -0.00 1.61 2.88 -1.13 -4.84 113.62 116.01 3a6c n SER 72 Ca -0.11 1.22 0.01 0.00 -1.33 0.00 0.00 58.87 58.66 3a6c n SER 72 Cb 0.35 -1.59 -0.02 0.00 -0.75 0.00 0.00 64.21 62.20 3a6c n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3a6c n ARG 73 N 0.65 0.12 -3.85 -1.46 1.74 -0.59 -5.01 116.66 108.26 3a6c n ARG 73 Ca 0.03 -0.03 -0.26 0.00 -0.77 0.00 0.00 57.85 56.82 3a6c n ARG 73 Cb 0.38 -1.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 3a6c n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3a6c n ASN 74 N -1.60 -1.67 0.21 0.55 4.05 -1.16 -4.86 115.26 110.78 3a6c n ASN 74 Ca -0.01 -0.99 0.15 0.00 0.45 0.00 0.00 54.58 54.19 3a6c n ASN 74 Cb 0.08 -3.27 0.80 0.00 1.23 0.00 0.00 39.78 38.63 3a6c n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3a6c h LEU 75 N -1.87 0.00 -0.77 1.20 3.38 -0.32 -0.64 115.31 116.29 3a6c h LEU 75 Ca -0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.33 3a6c h LEU 75 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3a6c h LEU 75 CO 0.58 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.99 3a6c n ASN 77 N -0.18 -2.45 -3.70 0.00 3.02 -0.25 -4.97 115.26 106.74 3a6c n ASN 77 Ca 0.16 -0.99 -0.14 0.00 -0.03 0.00 0.00 54.58 53.58 3a6c n ASN 77 Cb 0.36 -3.32 -0.09 0.00 -0.61 0.00 0.00 39.78 36.12 3a6c n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3a6c s ILE 78 N -3.72 0.02 0.27 2.41 1.10 -1.26 -5.08 121.20 114.94 3a6c s ILE 78 Ca 0.19 -0.15 -0.30 0.00 -0.51 0.00 0.00 60.65 59.89 3a6c s ILE 78 Cb -0.07 -0.69 -0.09 0.00 0.15 0.00 0.00 42.46 41.76 3a6c s ILE 78 CO 0.87 -0.08 1.07 -2.16 -2.11 0.00 0.00 174.94 172.52 3a6c s PRO 79 N -0.46 4.68 0.54 3.50 0.04 -1.26 -1.35 135.00 140.69 3a6c s PRO 79 Ca -0.06 1.75 0.22 0.00 0.04 0.00 0.00 61.00 62.94 3a6c s PRO 79 Cb -0.03 -3.21 1.40 0.00 0.04 0.00 0.00 34.50 32.70 3a6c s PRO 79 CO 0.03 0.27 2.10 0.00 0.04 0.00 0.00 177.00 179.44 3a6c h SER 81 N 0.00 0.21 0.77 0.00 4.64 -1.91 0.25 113.55 117.50 3a6c h SER 81 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3a6c h SER 81 Cb 0.42 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3a6c h SER 81 CO -0.00 0.14 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 3a6c h ALA 82 N 1.80 1.00 -0.04 5.18 0.00 -1.66 -2.12 119.26 123.41 3a6c h ALA 82 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3a6c h ALA 82 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3a6c h ALA 82 CO -0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.50 3a6c n LEU 83 N -2.94 1.42 -1.34 0.00 4.77 0.07 -3.84 117.00 115.14 3a6c n LEU 83 Ca 0.00 -0.50 0.01 0.00 -0.03 0.00 0.00 56.01 55.49 3a6c n LEU 83 Cb 0.24 -0.02 0.26 0.00 -2.33 0.00 0.00 43.42 41.58 3a6c n LEU 83 CO 0.24 0.25 0.82 0.18 -1.33 0.00 0.00 177.39 177.55 3a6c n LEU 84 N 0.12 4.72 -4.93 2.23 4.32 -0.80 -3.80 117.00 118.85 3a6c n LEU 84 Ca 0.19 -3.27 -0.25 0.00 -0.02 0.00 0.00 56.01 52.65 3a6c n LEU 84 Cb 0.33 -0.64 -0.02 0.00 -1.62 0.00 0.00 43.42 41.48 3a6c n LEU 84 CO 0.16 0.86 0.17 -0.55 -1.22 0.00 0.00 177.39 176.81 3a6c s SER 85 N -1.77 6.33 0.46 -1.43 0.15 -1.25 -4.64 113.70 111.55 3a6c s SER 85 Ca 0.47 0.50 0.29 0.00 0.70 0.00 0.00 55.95 57.92 3a6c s SER 85 Cb 0.39 -2.05 1.07 0.00 -1.71 0.00 0.00 66.02 63.72 3a6c s SER 85 CO 0.08 -0.25 1.85 0.28 1.20 0.00 0.00 173.24 176.40 3a6c h SER 86 N 1.06 0.00 -3.45 5.45 0.02 -1.94 -3.40 113.55 111.28 3a6c h SER 86 Ca -0.49 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 59.85 3a6c h SER 86 Cb 1.21 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.64 3a6c h SER 86 CO 0.63 0.00 0.34 -0.62 -1.14 0.00 0.00 176.83 176.04 3a6c s ASP 87 N -5.48 6.63 0.00 3.07 -1.08 -1.26 -4.94 116.67 113.60 3a6c s ASP 87 Ca 0.03 0.62 0.26 0.00 -0.52 0.00 0.00 52.55 52.94 3a6c s ASP 87 Cb 0.08 -2.39 1.56 0.00 -1.46 0.00 0.00 42.92 40.71 3a6c s ASP 87 CO 0.55 -0.58 2.01 2.30 0.52 0.00 0.00 175.17 179.96 3a6c n ILE 88 N 5.50 0.00 -0.18 4.11 -5.35 -1.26 -4.41 119.36 117.77 3a6c n ILE 88 Ca 0.03 -0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.41 3a6c n ILE 88 Cb 0.48 -0.41 -0.05 0.00 -1.74 0.00 0.00 39.64 37.93 3a6c n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3a6c h THR 89 N 0.01 0.08 -0.51 7.28 2.02 -1.94 -0.28 112.91 119.56 3a6c h THR 89 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3a6c h THR 89 Cb 0.00 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.47 3a6c h THR 89 CO 0.00 0.00 0.03 0.00 0.37 0.00 0.00 175.52 175.92 3a6c h ALA 90 N 0.50 1.08 -0.61 6.16 0.00 -1.83 -1.25 119.26 123.30 3a6c h ALA 90 Ca 0.16 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3a6c h ALA 90 Cb 0.57 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3a6c h ALA 90 CO -0.65 0.59 0.13 0.77 0.00 0.00 0.00 179.25 180.08 3a6c h SER 91 N 0.79 0.95 -0.36 0.00 0.02 -1.66 -1.75 113.55 111.54 3a6c h SER 91 Ca 0.16 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 3a6c h SER 91 Cb 0.44 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3a6c h SER 91 CO 0.02 0.95 -0.00 0.58 -1.14 0.00 0.00 176.83 177.24 3a6c h VAL 92 N 0.91 1.26 -0.53 2.27 2.07 -0.82 0.12 116.25 121.53 3a6c h VAL 92 Ca 0.19 -0.99 0.06 0.00 0.82 0.00 0.00 66.70 66.79 3a6c h VAL 92 Cb 0.39 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 3a6c h VAL 92 CO 0.01 0.33 0.22 0.78 0.02 0.00 0.00 177.57 178.93 3a6c h ASN 93 N 0.45 0.27 -0.38 0.57 2.35 -1.03 -0.67 115.58 117.14 3a6c h ASN 93 Ca 0.10 0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.76 3a6c h ASN 93 Cb 0.46 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 3a6c h ASN 93 CO 0.02 0.19 -0.30 0.00 -1.65 0.00 0.00 177.43 175.69 3a6c h ALA 95 N 0.78 1.55 -0.53 0.00 0.00 -0.47 -0.32 119.26 120.28 3a6c h ALA 95 Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3a6c h ALA 95 Cb 0.88 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3a6c h ALA 95 CO 0.08 0.35 0.00 0.87 0.00 0.00 0.00 179.25 180.55 3a6c h LYS 96 N 0.95 0.89 -0.35 0.00 1.57 -0.97 -0.84 116.57 117.82 3a6c h LYS 96 Ca 0.33 -0.25 -0.17 0.00 -1.87 0.00 0.00 60.65 58.69 3a6c h LYS 96 Cb 0.12 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 3a6c h LYS 96 CO -0.11 0.89 -0.43 -0.22 -0.57 0.00 0.00 179.45 179.00 3a6c h LYS 97 N 0.83 0.90 -0.11 3.15 3.64 -1.12 -2.46 116.57 121.40 3a6c h LYS 97 Ca 0.16 -0.50 0.01 0.00 -1.27 0.00 0.00 60.65 59.04 3a6c h LYS 97 Cb 0.49 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3a6c h LYS 97 CO 0.02 1.15 0.04 0.82 -2.27 0.00 0.00 179.45 179.22 3a6c h ILE 98 N 0.72 0.99 0.00 2.00 2.04 -0.77 -2.05 117.51 120.43 3a6c h ILE 98 Ca 0.05 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3a6c h ILE 98 Cb 1.03 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3a6c h ILE 98 CO 0.10 0.02 0.00 0.55 0.00 0.00 0.00 178.15 178.82 3a6c n VAL 99 N -5.05 0.75 1.66 1.67 3.14 -0.35 -2.29 118.33 117.86 3a6c n VAL 99 Ca -0.05 0.19 0.12 0.00 -2.96 0.00 0.00 64.34 61.64 3a6c n VAL 99 Cb 0.04 -0.89 0.57 0.00 -1.06 0.00 0.00 33.84 32.50 3a6c n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3a6c n SER 100 N -1.48 0.82 -4.93 6.55 7.64 -0.77 -4.27 113.62 117.17 3a6c n SER 100 Ca 0.05 -1.45 -0.26 0.00 1.01 0.00 0.00 58.87 58.22 3a6c n SER 100 Cb 0.20 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.34 3a6c n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3a6c s ASP 101 N -1.74 6.36 0.61 6.43 2.15 -0.97 -4.98 116.67 124.53 3a6c s ASP 101 Ca 0.35 0.47 0.29 0.00 0.43 0.00 0.00 52.55 54.09 3a6c s ASP 101 Cb 0.18 -2.04 1.59 0.00 -0.30 0.00 0.00 42.92 42.35 3a6c s ASP 101 CO 0.28 -0.17 1.97 1.23 -0.17 0.00 0.00 175.17 178.32 3a6c h GLY 102 N 1.42 0.00 2.00 2.66 0.00 -1.88 -0.23 103.07 107.05 3a6c h GLY 102 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3a6c h GLY 102 CO 0.65 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.89 3a6c n ASN 103 N -3.52 0.64 0.00 0.19 3.02 -1.26 -4.96 115.26 109.36 3a6c n ASN 103 Ca 0.04 0.62 0.00 0.00 -0.03 0.00 0.00 54.58 55.21 3a6c n ASN 103 Cb 0.48 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 3a6c n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a6c n GLY 104 N 0.40 2.23 0.00 7.41 0.00 -0.10 -1.72 105.19 113.40 3a6c n GLY 104 Ca 0.03 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.80 3a6c n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a6c n MET 105 N 12.86 0.71 0.00 1.61 2.81 -1.26 -3.20 117.12 130.65 3a6c n MET 105 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.95 3a6c n MET 105 Cb 0.00 -1.47 0.27 0.00 -0.71 0.00 0.00 33.22 31.32 3a6c n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3a6c n ASN 106 N -0.97 0.00 0.25 7.83 3.02 -0.70 -1.42 115.26 123.27 3a6c n ASN 106 Ca 0.16 0.28 0.13 0.00 -0.03 0.00 0.00 54.58 55.12 3a6c n ASN 106 Cb 0.07 -0.38 0.63 0.00 -0.61 0.00 0.00 39.78 39.50 3a6c n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a6c h ALA 107 N 2.48 1.10 -2.14 5.41 0.00 -1.73 -3.38 119.26 121.01 3a6c h ALA 107 Ca 0.00 -0.12 -0.73 0.00 0.00 0.00 0.00 54.91 54.06 3a6c h ALA 107 Cb 0.15 -0.02 -0.21 0.00 0.00 0.00 0.00 17.79 17.70 3a6c h ALA 107 CO 0.00 0.17 -0.14 -1.58 0.00 0.00 0.00 179.25 177.70 3a6c s TRP 108 N -3.86 3.16 0.19 0.00 0.51 -0.51 -4.95 118.94 113.48 3a6c s TRP 108 Ca -0.01 -0.93 -0.11 0.00 -2.12 0.00 0.00 56.10 52.93 3a6c s TRP 108 Cb 0.11 -3.55 0.18 0.00 -0.81 0.00 0.00 33.47 29.40 3a6c s TRP 108 CO 0.59 -0.99 1.79 0.28 -0.51 0.00 0.00 176.95 178.11 3a6c h VAL 109 N 5.84 0.94 -0.87 4.03 2.07 -1.85 -0.78 116.25 125.63 3a6c h VAL 109 Ca -0.29 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3a6c h VAL 109 Cb 1.10 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 3a6c h VAL 109 CO 0.97 0.10 0.46 0.00 0.02 0.00 0.00 177.57 179.13 3a6c h ALA 110 N 1.31 1.16 -0.46 1.67 0.00 -1.92 0.47 119.26 121.49 3a6c h ALA 110 Ca 0.26 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3a6c h ALA 110 Cb 0.17 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3a6c h ALA 110 CO -0.18 0.66 0.14 2.35 0.00 0.00 0.00 179.25 182.22 3a6c h TRP 111 N 1.23 0.75 -0.74 0.00 7.01 -1.71 0.18 115.95 122.67 3a6c h TRP 111 Ca 0.31 -0.08 -0.03 0.00 2.11 0.00 0.00 58.89 61.19 3a6c h TRP 111 Cb 0.05 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.87 3a6c h TRP 111 CO 0.01 0.67 0.33 -0.09 -2.79 0.00 0.00 178.44 176.57 3a6c h ARG 112 N 0.61 1.09 0.00 2.65 2.43 -0.59 0.30 114.38 120.87 3a6c h ARG 112 Ca 0.15 -0.18 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 3a6c h ARG 112 Cb 0.27 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3a6c h ARG 112 CO -0.00 0.87 -0.97 -0.91 -1.51 0.00 0.00 179.97 177.45 3a6c h ASN 113 N 1.05 0.00 0.00 -3.80 -0.26 -0.72 -3.37 115.58 108.48 3a6c h ASN 113 Ca 0.25 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.99 3a6c h ASN 113 Cb 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 3a6c h ASN 113 CO -0.03 0.74 -0.16 0.54 -1.06 0.00 0.00 177.43 177.46 3a6c n ARG 114 N -3.19 5.49 -0.05 0.81 5.12 0.61 -4.90 116.66 120.55 3a6c n ARG 114 Ca -0.03 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.78 3a6c n ARG 114 Cb 0.86 -0.56 -0.04 0.00 -1.16 0.00 0.00 32.46 31.57 3a6c n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3a6c n LYS 116 N -3.45 2.11 -0.06 0.00 4.81 0.06 -1.07 118.16 120.55 3a6c n LYS 116 Ca -0.20 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 3a6c n LYS 116 Cb 0.64 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 33.12 3a6c n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a6c n GLY 117 N 3.95 0.88 3.95 3.14 0.00 -1.26 -4.92 105.19 110.94 3a6c n GLY 117 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 3a6c n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a6c s THR 118 N -2.38 2.50 -1.30 2.61 -4.23 -0.24 -5.00 115.64 107.59 3a6c s THR 118 Ca 0.00 -1.19 -0.17 0.00 -1.18 0.00 0.00 61.69 59.15 3a6c s THR 118 Cb 0.00 -2.68 0.02 0.00 1.34 0.00 0.00 72.50 71.18 3a6c s THR 118 CO 0.00 0.00 1.98 -0.67 -0.54 0.00 0.00 174.62 175.39 3a6c n ASP 119 N -1.82 4.10 0.30 3.99 2.03 -1.26 -4.77 116.55 119.12 3a6c n ASP 119 Ca 0.07 -2.84 0.18 0.00 0.52 0.00 0.00 54.79 52.71 3a6c n ASP 119 Cb 0.61 -1.65 1.00 0.00 -0.72 0.00 0.00 41.12 40.36 3a6c n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3a6c h VAL 120 N 4.86 0.35 0.00 5.18 -1.51 -1.90 -1.48 116.25 121.75 3a6c h VAL 120 Ca 0.48 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.93 3a6c h VAL 120 Cb 0.76 0.97 -0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3a6c h VAL 120 CO 1.67 0.00 -0.07 -0.61 -1.23 0.00 0.00 177.57 177.33 3a6c h GLN 121 N 0.00 0.00 0.00 5.19 5.75 -1.87 -1.46 115.11 122.72 3a6c h GLN 121 Ca 0.01 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3a6c h GLN 121 Cb 0.07 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.62 3a6c h GLN 121 CO -0.00 0.07 -0.00 0.00 -2.65 0.00 0.00 178.83 176.25 3a6c h ALA 122 N 1.93 1.33 0.00 3.38 0.00 -1.66 -1.56 119.26 122.68 3a6c h ALA 122 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a6c h ALA 122 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3a6c h ALA 122 CO 0.01 0.00 0.00 0.91 0.00 0.00 0.00 179.25 180.17 3a6c n TRP 123 N -3.56 0.36 0.03 0.00 7.02 -0.55 -3.02 117.44 117.72 3a6c n TRP 123 Ca -0.03 0.13 0.00 0.00 -1.02 0.00 0.00 57.50 56.58 3a6c n TRP 123 Cb 0.08 -0.71 0.00 0.00 -2.42 0.00 0.00 31.31 28.27 3a6c n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 3a6c n ILE 124 N -1.81 0.00 -2.57 -0.99 -5.35 -0.61 -4.81 119.36 103.22 3a6c n ILE 124 Ca 0.04 -0.50 -0.36 0.00 -0.27 0.00 0.00 62.75 61.66 3a6c n ILE 124 Cb 0.26 1.02 -0.04 0.00 -1.74 0.00 0.00 39.64 39.13 3a6c n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3a6c s ARG 125 N -0.13 4.14 -0.57 6.28 3.52 -1.06 -3.50 118.95 127.62 3a6c s ARG 125 Ca 0.01 1.47 0.00 0.00 -0.13 0.00 0.00 55.73 57.08 3a6c s ARG 125 Cb 0.01 -2.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.92 3a6c s ARG 125 CO 0.01 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 3a6c n GLY 126 N 0.23 0.50 3.26 8.12 0.00 -1.26 -5.03 105.19 111.01 3a6c n GLY 126 Ca 0.05 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 3a6c n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a6c s ARG 128 N -0.82 3.49 0.00 0.00 1.81 -1.26 -5.13 118.95 117.03 3a6c s ARG 128 Ca 0.09 0.10 0.25 0.00 -1.72 0.00 0.00 55.73 54.45 3a6c s ARG 128 Cb -0.09 -3.98 0.30 0.00 -0.45 0.00 0.00 34.95 30.73 3a6c s ARG 128 CO 0.00 -1.40 1.32 1.28 -0.68 0.00 0.00 175.30 175.82