#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6b s VAL 2 N 0.00 3.72 0.53 3.15 1.01 -1.26 -0.69 120.40 126.86 3a6b s VAL 2 Ca 0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 3a6b s VAL 2 Cb 0.00 -2.97 -0.06 0.00 0.00 0.00 0.00 36.38 33.34 3a6b s VAL 2 CO 0.00 0.02 1.05 -0.36 0.00 0.00 0.00 175.10 175.81 3a6b s PHE 3 N 1.44 3.00 0.46 5.22 0.40 0.14 -5.00 117.98 123.63 3a6b s PHE 3 Ca 0.01 1.55 -0.08 0.00 -0.60 0.00 0.00 56.93 57.81 3a6b s PHE 3 Cb -0.18 -3.04 -0.05 0.00 0.51 0.00 0.00 43.02 40.26 3a6b s PHE 3 CO 0.01 -0.95 0.79 0.20 0.70 0.00 0.00 175.22 175.98 3a6b s GLY 4 N -2.32 1.69 0.12 4.36 0.00 -1.26 -4.84 107.32 105.07 3a6b s GLY 4 Ca 0.66 -0.36 -0.27 0.00 0.00 0.00 0.00 44.72 44.75 3a6b s GLY 4 CO 0.27 -0.17 1.63 -0.09 0.00 0.00 0.00 173.10 174.74 3a6b h ARG 5 N 0.62 -0.44 -0.04 2.90 2.43 -1.96 -0.95 114.38 116.94 3a6b h ARG 5 Ca -0.47 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 58.64 3a6b h ARG 5 Cb 1.20 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 3a6b h ARG 5 CO 0.63 -0.29 -0.40 0.00 -1.51 0.00 0.00 179.97 178.39 3a6b h GLU 7 N 0.08 0.63 -0.25 0.00 4.81 -1.84 -1.52 114.58 116.48 3a6b h GLU 7 Ca 0.01 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 58.96 3a6b h GLU 7 Cb 0.75 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 3a6b h GLU 7 CO 0.06 0.60 -0.47 1.25 -0.73 0.00 0.00 179.01 179.72 3a6b h LEU 8 N 0.52 0.71 -0.57 1.64 5.85 -0.98 -1.75 115.31 120.74 3a6b h LEU 8 Ca 0.14 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.53 3a6b h LEU 8 Cb 0.22 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3a6b h LEU 8 CO -0.01 1.07 0.35 0.00 -0.34 0.00 0.00 178.44 179.51 3a6b h ALA 9 N 0.95 0.73 -0.50 1.25 0.00 -1.03 0.31 119.26 120.97 3a6b h ALA 9 Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3a6b h ALA 9 Cb 1.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3a6b h ALA 9 CO 0.10 0.07 -0.03 0.00 0.00 0.00 0.00 179.25 179.39 3a6b h ALA 10 N 1.25 0.67 -0.37 0.00 0.00 -1.17 -1.92 119.26 117.73 3a6b h ALA 10 Ca 0.23 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3a6b h ALA 10 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3a6b h ALA 10 CO -0.10 0.51 0.10 0.00 0.00 0.00 0.00 179.25 179.76 3a6b h ALA 11 N 0.92 0.48 -0.12 0.00 0.00 -0.81 -1.58 119.26 118.15 3a6b h ALA 11 Ca 0.14 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3a6b h ALA 11 Cb 0.56 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3a6b h ALA 11 CO 0.03 0.14 -0.21 0.52 0.00 0.00 0.00 179.25 179.73 3a6b h MET 12 N 0.44 0.21 -0.48 0.00 2.86 -0.32 -0.53 114.93 117.10 3a6b h MET 12 Ca 0.12 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.56 3a6b h MET 12 Cb 0.28 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3a6b h MET 12 CO -0.00 0.42 -0.22 -0.22 1.06 0.00 0.00 176.91 177.95 3a6b h LYS 13 N 0.19 1.00 -0.14 1.72 3.64 -1.10 -0.12 116.57 121.77 3a6b h LYS 13 Ca 0.03 -0.43 -0.08 0.00 -1.27 0.00 0.00 60.65 58.90 3a6b h LYS 13 Cb 0.49 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3a6b h LYS 13 CO 0.03 1.11 -0.26 -0.09 -2.27 0.00 0.00 179.45 177.98 3a6b h ARG 14 N 0.86 0.25 -0.39 1.90 2.43 -0.70 -2.08 114.38 116.65 3a6b h ARG 14 Ca 0.11 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3a6b h ARG 14 Cb 0.81 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 3a6b h ARG 14 CO 0.07 0.50 0.00 0.72 -1.51 0.00 0.00 179.97 179.75 3a6b n HIS 15 N -4.15 0.39 -1.43 2.20 8.25 -0.26 -4.91 115.22 115.31 3a6b n HIS 15 Ca -0.01 -0.17 -0.04 0.00 -0.26 0.00 0.00 57.72 57.24 3a6b n HIS 15 Cb 0.37 -0.06 -0.01 0.00 1.12 0.00 0.00 29.99 31.41 3a6b n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a6b n GLY 16 N 0.69 0.53 0.36 -1.41 0.00 -0.78 -4.94 105.19 99.65 3a6b n GLY 16 Ca 0.08 -0.84 0.13 0.00 0.00 0.00 0.00 46.02 45.39 3a6b n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a6b n LEU 17 N -0.50 1.33 -4.56 0.99 4.77 -0.09 -4.49 117.00 114.46 3a6b n LEU 17 Ca -0.04 -0.41 -0.35 0.00 -0.03 0.00 0.00 56.01 55.19 3a6b n LEU 17 Cb 0.26 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3a6b n LEU 17 CO 0.06 0.24 1.42 -0.62 -1.33 0.00 0.00 177.39 177.16 3a6b s ASP 18 N -2.35 5.56 -0.30 -1.43 2.15 -1.26 -3.55 116.67 115.49 3a6b s ASP 18 Ca 0.27 -0.48 -0.03 0.00 0.43 0.00 0.00 52.55 52.75 3a6b s ASP 18 Cb 0.20 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 3a6b s ASP 18 CO 0.47 -2.30 0.32 0.59 -0.17 0.00 0.00 175.17 174.08 3a6b n ASN 19 N 12.09 -4.81 -4.28 -0.34 3.02 -1.03 -4.87 115.26 115.05 3a6b n ASN 19 Ca 0.28 0.08 -0.34 0.00 -0.03 0.00 0.00 54.58 54.57 3a6b n ASN 19 Cb 0.49 -3.08 -0.15 0.00 -0.61 0.00 0.00 39.78 36.43 3a6b n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3a6b s TYR 20 N -2.53 2.83 -1.56 3.10 5.04 -1.02 -4.68 117.35 118.51 3a6b s TYR 20 Ca 0.05 -1.02 -0.05 0.00 -2.44 0.00 0.00 57.07 53.61 3a6b s TYR 20 Cb -0.01 -1.93 0.04 0.00 0.35 0.00 0.00 41.96 40.41 3a6b s TYR 20 CO 0.36 -0.48 0.28 0.54 -1.34 0.00 0.00 175.55 174.91 3a6b n ARG 21 N 4.20 -1.86 -0.87 4.97 5.12 -1.26 -1.35 116.66 125.61 3a6b n ARG 21 Ca -0.19 0.22 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 3a6b n ARG 21 Cb 0.51 -4.16 0.00 0.00 -1.16 0.00 0.00 32.46 27.66 3a6b n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a6b n GLY 22 N -2.10 0.78 3.30 -0.13 0.00 -1.26 -5.03 105.19 100.74 3a6b n GLY 22 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 3a6b n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a6b s TYR 23 N -3.02 3.10 0.71 1.61 2.02 -0.46 -5.04 117.35 116.27 3a6b s TYR 23 Ca 0.00 -1.13 -0.15 0.00 -0.37 0.00 0.00 57.07 55.42 3a6b s TYR 23 Cb 0.00 -2.18 0.03 0.00 -0.40 0.00 0.00 41.96 39.41 3a6b s TYR 23 CO 0.00 -0.61 1.18 -1.54 -1.57 0.00 0.00 175.55 173.01 3a6b s SER 24 N 1.45 4.47 0.34 2.29 1.04 -1.26 -2.44 113.70 119.58 3a6b s SER 24 Ca 0.02 2.26 0.10 0.00 0.48 0.00 0.00 55.95 58.81 3a6b s SER 24 Cb -0.17 -2.58 0.87 0.00 0.10 0.00 0.00 66.02 64.25 3a6b s SER 24 CO -0.00 -2.07 1.78 0.25 0.98 0.00 0.00 173.24 174.17 3a6b h LEU 25 N -0.17 0.66 -1.70 2.42 5.85 -1.90 -0.61 115.31 119.86 3a6b h LEU 25 Ca -0.47 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.41 3a6b h LEU 25 Cb 1.28 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 3a6b h LEU 25 CO 0.51 0.20 0.33 1.23 -0.34 0.00 0.00 178.44 180.37 3a6b h GLY 26 N 0.62 0.47 1.01 3.75 0.00 -1.91 -1.80 103.07 105.21 3a6b h GLY 26 Ca 0.58 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.75 3a6b h GLY 26 CO -0.36 0.10 0.38 3.43 0.00 0.00 0.00 176.54 180.09 3a6b h ASN 27 N 0.36 0.91 -0.19 0.19 2.35 -1.33 -0.67 115.58 117.20 3a6b h ASN 27 Ca 0.22 -0.11 -0.17 0.00 -0.55 0.00 0.00 56.30 55.69 3a6b h ASN 27 Cb 0.41 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 3a6b h ASN 27 CO -0.05 0.76 -0.51 -0.50 -1.65 0.00 0.00 177.43 175.47 3a6b h TRP 28 N 0.99 0.95 -0.25 1.19 4.06 -1.42 -0.49 115.95 120.98 3a6b h TRP 28 Ca 0.25 -0.33 -0.12 0.00 2.06 0.00 0.00 58.89 60.75 3a6b h TRP 28 Cb 0.06 -0.18 -0.00 0.00 -1.00 0.00 0.00 29.16 28.04 3a6b h TRP 28 CO 0.00 1.12 -0.32 0.28 -3.56 0.00 0.00 178.44 175.96 3a6b h VAL 29 N 0.60 1.31 -0.80 1.49 2.07 -1.34 -1.89 116.25 117.69 3a6b h VAL 29 Ca 0.02 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.02 3a6b h VAL 29 Cb 1.09 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.51 3a6b h VAL 29 CO 0.11 0.47 0.41 0.00 0.02 0.00 0.00 177.57 178.59 3a6b h ALA 31 N 1.22 0.04 -0.90 0.00 0.00 -0.94 -2.36 119.26 116.31 3a6b h ALA 31 Ca 0.28 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3a6b h ALA 31 Cb 0.07 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3a6b h ALA 31 CO -0.04 -0.48 0.59 0.00 0.00 0.00 0.00 179.25 179.32 3a6b h ALA 32 N 1.03 1.34 -0.05 0.00 0.00 -1.05 0.95 119.26 121.48 3a6b h ALA 32 Ca 0.02 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3a6b h ALA 32 Cb 0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3a6b h ALA 32 CO -0.03 0.60 -0.07 -0.22 0.00 0.00 0.00 179.25 179.54 3a6b h LYS 33 N 1.23 -0.09 0.00 0.00 1.63 -0.81 -0.76 116.57 117.76 3a6b h LYS 33 Ca 0.33 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 3a6b h LYS 33 Cb -0.12 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.53 3a6b h LYS 33 CO -0.07 -0.06 -0.51 0.74 -3.45 0.00 0.00 179.45 176.10 3a6b h PHE 34 N -0.10 0.00 0.10 1.91 0.04 -1.22 0.09 116.94 117.76 3a6b h PHE 34 Ca 0.05 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.59 3a6b h PHE 34 Cb 0.16 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.31 3a6b h PHE 34 CO -0.16 0.00 -1.16 0.93 -0.60 0.00 0.00 178.31 177.32 3a6b h GLU 35 N 0.00 0.20 0.00 1.51 4.39 -0.73 -3.43 114.58 116.52 3a6b h GLU 35 Ca 0.00 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.35 3a6b h GLU 35 Cb 0.86 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 3a6b h GLU 35 CO 0.00 1.17 0.00 -1.13 -1.16 0.00 0.00 179.01 177.89 3a6b n SER 36 N -4.08 0.43 -3.65 1.42 3.41 -0.38 -4.81 113.62 105.95 3a6b n SER 36 Ca -0.22 -1.00 -0.25 0.00 -0.26 0.00 0.00 58.87 57.13 3a6b n SER 36 Cb 0.82 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.84 3a6b n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3a6b n ASN 37 N -0.00 -6.11 -1.29 4.04 5.15 0.02 -2.11 115.26 114.96 3a6b n ASN 37 Ca 0.00 -0.58 -0.16 0.00 -0.60 0.00 0.00 54.58 53.24 3a6b n ASN 37 Cb 0.15 -4.82 -0.07 0.00 -0.53 0.00 0.00 39.78 34.51 3a6b n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3a6b n PHE 38 N -4.95 -0.04 -3.45 1.20 3.72 -1.12 -4.84 117.46 107.99 3a6b n PHE 38 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 3a6b n PHE 38 Cb 0.55 -2.87 -0.10 0.00 -0.94 0.00 0.00 39.48 36.13 3a6b n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3a6b s ASN 39 N -2.80 6.12 0.59 4.37 2.47 -0.89 -0.69 114.94 124.11 3a6b s ASN 39 Ca 0.00 -0.62 0.37 0.00 0.42 0.00 0.00 52.86 53.03 3a6b s ASN 39 Cb 0.00 -2.17 1.78 0.00 -1.45 0.00 0.00 41.25 39.41 3a6b s ASN 39 CO 0.00 -0.39 2.14 0.71 -3.72 0.00 0.00 177.10 175.84 3a6b h THR 40 N 5.59 0.08 -0.28 -5.21 1.35 -1.23 -2.78 112.91 110.44 3a6b h THR 40 Ca -0.29 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3a6b h THR 40 Cb 1.13 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3a6b h THR 40 CO 0.71 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 176.00 3a6b n GLN 41 N -3.16 2.33 -1.84 4.72 1.13 -1.26 -3.85 117.38 115.45 3a6b n GLN 41 Ca -0.01 -1.99 -0.42 0.00 -1.94 0.00 0.00 57.00 52.65 3a6b n GLN 41 Cb 0.21 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.05 3a6b n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3a6b s ALA 42 N -1.65 3.77 0.05 -1.58 0.00 -1.05 -4.77 121.76 116.52 3a6b s ALA 42 Ca 0.36 1.50 0.02 0.00 0.00 0.00 0.00 51.96 53.84 3a6b s ALA 42 Cb 0.21 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 3a6b s ALA 42 CO 0.31 -0.90 -0.08 0.95 0.00 0.00 0.00 175.76 176.04 3a6b s THR 43 N 0.41 0.59 -0.16 0.00 -4.23 -1.26 -0.48 115.64 110.50 3a6b s THR 43 Ca 0.66 -1.14 -0.04 0.00 -1.18 0.00 0.00 61.69 59.99 3a6b s THR 43 Cb -0.46 -0.69 0.08 0.00 1.34 0.00 0.00 72.50 72.76 3a6b s THR 43 CO 0.41 -0.39 0.22 0.21 -0.54 0.00 0.00 174.62 174.54 3a6b s ASN 44 N -1.66 0.97 0.06 3.99 2.47 -0.75 -4.95 114.94 115.07 3a6b s ASN 44 Ca -0.08 0.10 -0.30 0.00 0.42 0.00 0.00 52.86 52.99 3a6b s ASN 44 Cb -0.09 0.46 -0.05 0.00 -1.45 0.00 0.00 41.25 40.12 3a6b s ASN 44 CO 0.00 -0.29 1.09 -0.60 -3.72 0.00 0.00 177.10 173.59 3a6b s ARG 45 N 2.35 4.52 0.29 0.43 3.52 -1.26 -0.74 118.95 128.06 3a6b s ARG 45 Ca 0.05 1.62 0.07 0.00 -0.13 0.00 0.00 55.73 57.33 3a6b s ARG 45 Cb -0.14 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 3a6b s ARG 45 CO -0.10 -0.11 0.33 -0.80 -0.81 0.00 0.00 175.30 173.81 3a6b s ASN 46 N 0.83 5.77 0.40 -2.12 0.01 0.78 -4.98 114.94 115.63 3a6b s ASN 46 Ca 0.54 -0.22 0.08 0.00 -0.71 0.00 0.00 52.86 52.55 3a6b s ASN 46 Cb -0.26 -1.36 0.83 0.00 0.41 0.00 0.00 41.25 40.88 3a6b s ASN 46 CO 0.29 -0.23 2.01 0.71 -1.51 0.00 0.00 177.10 178.38 3a6b h THR 47 N 1.20 1.13 0.00 1.60 1.35 -1.96 -2.30 112.91 113.92 3a6b h THR 47 Ca -0.48 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 3a6b h THR 47 Cb 1.24 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 3a6b h THR 47 CO 0.58 0.15 0.00 -0.90 -0.25 0.00 0.00 175.52 175.10 3a6b n ASP 48 N -4.41 0.00 0.00 5.36 5.75 -1.26 -4.83 116.55 117.16 3a6b n ASP 48 Ca 0.02 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 3a6b n ASP 48 Cb 0.13 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 3a6b n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a6b n GLY 49 N 0.47 1.27 3.95 6.12 0.00 -0.87 -4.67 105.19 111.46 3a6b n GLY 49 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 3a6b n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a6b s SER 50 N -3.04 4.57 0.01 1.61 1.04 -1.26 -4.49 113.70 112.14 3a6b s SER 50 Ca 0.00 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.62 3a6b s SER 50 Cb 0.00 -0.74 -0.01 0.00 0.10 0.00 0.00 66.02 65.37 3a6b s SER 50 CO 0.00 -1.73 -0.03 -0.89 0.98 0.00 0.00 173.24 171.57 3a6b s THR 51 N -3.23 0.15 -0.14 2.02 2.01 -1.26 -0.15 115.64 115.03 3a6b s THR 51 Ca 0.63 -0.49 -0.11 0.00 0.31 0.00 0.00 61.69 62.03 3a6b s THR 51 Cb -0.09 -0.21 -0.05 0.00 0.01 0.00 0.00 72.50 72.17 3a6b s THR 51 CO 0.45 -0.22 0.21 -1.81 -0.69 0.00 0.00 174.62 172.56 3a6b s ASP 52 N -0.74 6.40 -0.05 3.53 1.01 0.09 -1.36 116.67 125.54 3a6b s ASP 52 Ca -0.07 0.46 0.05 0.00 0.71 0.00 0.00 52.55 53.71 3a6b s ASP 52 Cb -0.05 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 3a6b s ASP 52 CO -0.00 0.24 -0.22 -0.31 0.21 0.00 0.00 175.17 175.09 3a6b s TYR 53 N -0.17 2.50 0.00 4.23 1.51 0.73 -1.81 117.35 124.34 3a6b s TYR 53 Ca 0.14 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 3a6b s TYR 53 Cb -0.13 -1.61 0.00 0.00 -0.11 0.00 0.00 41.96 40.12 3a6b s TYR 53 CO 0.03 -0.10 0.00 0.41 -1.11 0.00 0.00 175.55 174.78 3a6b n GLY 54 N 2.76 -1.49 0.41 0.71 0.00 0.37 -0.80 105.19 107.15 3a6b n GLY 54 Ca -0.17 -1.26 0.20 0.00 0.00 0.00 0.00 46.02 44.79 3a6b n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3a6b h ILE 55 N 0.00 0.65 -0.19 -0.61 6.09 -1.66 -0.63 117.51 121.16 3a6b h ILE 55 Ca 0.00 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 3a6b h ILE 55 Cb 0.00 0.27 0.00 0.00 0.47 0.00 0.00 36.82 37.56 3a6b h ILE 55 CO 0.00 0.07 0.00 0.18 -3.07 0.00 0.00 178.15 175.33 3a6b n LEU 56 N -4.49 3.24 -4.05 2.19 4.77 -1.26 -4.07 117.00 113.32 3a6b n LEU 56 Ca 0.19 -2.83 -0.44 0.00 -0.03 0.00 0.00 56.01 52.90 3a6b n LEU 56 Cb 0.74 -0.44 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 3a6b n LEU 56 CO 0.31 0.68 -0.18 0.00 -1.33 0.00 0.00 177.39 176.87 3a6b n GLN 57 N -0.60 -0.42 -2.60 3.23 1.13 -0.25 -4.87 117.38 113.00 3a6b n GLN 57 Ca 0.17 0.11 -0.42 0.00 -1.94 0.00 0.00 57.00 54.92 3a6b n GLN 57 Cb 0.72 -2.77 -0.03 0.00 0.11 0.00 0.00 30.24 28.28 3a6b n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3a6b s ILE 58 N -3.58 4.58 0.28 5.09 1.01 0.02 -4.31 121.20 124.28 3a6b s ILE 58 Ca 0.46 1.86 -0.29 0.00 0.00 0.00 0.00 60.65 62.67 3a6b s ILE 58 Cb -0.24 -4.19 -0.10 0.00 0.01 0.00 0.00 42.46 37.94 3a6b s ILE 58 CO 0.96 0.07 1.10 0.21 0.00 0.00 0.00 174.94 177.28 3a6b s ASN 59 N 1.15 7.27 0.00 3.58 2.47 -1.26 -0.19 114.94 127.96 3a6b s ASN 59 Ca 0.53 2.27 0.29 0.00 0.42 0.00 0.00 52.86 56.37 3a6b s ASN 59 Cb -0.22 -2.63 1.35 0.00 -1.45 0.00 0.00 41.25 38.30 3a6b s ASN 59 CO 0.24 -0.15 1.92 -1.54 -3.72 0.00 0.00 177.10 173.85 3a6b n SER 60 N 1.23 0.53 -0.02 -4.21 3.41 -0.46 -1.49 113.62 112.61 3a6b n SER 60 Ca -0.01 -0.81 -0.12 0.00 -0.26 0.00 0.00 58.87 57.67 3a6b n SER 60 Cb 0.45 -0.05 -0.14 0.00 -0.26 0.00 0.00 64.21 64.21 3a6b n SER 60 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3a6b n ARG 61 N -0.78 0.66 -0.06 4.33 0.63 -1.26 -4.59 116.66 115.59 3a6b n ARG 61 Ca 0.17 0.28 -0.09 0.00 -0.92 0.00 0.00 57.85 57.29 3a6b n ARG 61 Cb 0.25 -1.76 -0.06 0.00 0.45 0.00 0.00 32.46 31.34 3a6b n ARG 61 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 3a6b n TRP 62 N -3.13 0.00 -0.12 -0.14 7.02 -1.24 -1.39 117.44 118.44 3a6b n TRP 62 Ca -0.21 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.08 3a6b n TRP 62 Cb 1.05 -0.48 -0.11 0.00 -2.42 0.00 0.00 31.31 29.36 3a6b n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3a6b n TRP 63 N -2.94 0.00 -4.37 -5.99 7.02 -0.55 -0.11 117.44 110.49 3a6b n TRP 63 Ca -0.22 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.07 3a6b n TRP 63 Cb 0.73 -0.93 -0.10 0.00 -2.42 0.00 0.00 31.31 28.59 3a6b n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3a6b s ASN 65 N -3.35 5.22 0.00 0.00 2.47 -0.60 -4.32 114.94 114.37 3a6b s ASN 65 Ca 0.25 -0.24 0.10 0.00 0.42 0.00 0.00 52.86 53.39 3a6b s ASN 65 Cb 0.02 -1.94 0.18 0.00 -1.45 0.00 0.00 41.25 38.05 3a6b s ASN 65 CO 0.08 -0.05 1.02 -0.90 -3.72 0.00 0.00 177.10 173.54 3a6b n ASP 66 N 4.94 2.33 -0.69 -4.21 5.68 -1.26 -1.53 116.55 121.81 3a6b n ASP 66 Ca -0.16 -1.71 -0.09 0.00 -0.50 0.00 0.00 54.79 52.33 3a6b n ASP 66 Cb 0.51 -0.11 -0.04 0.00 -1.14 0.00 0.00 41.12 40.35 3a6b n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a6b n GLY 67 N 0.47 0.95 0.14 6.12 0.00 -1.26 -4.78 105.19 106.83 3a6b n GLY 67 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3a6b n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a6b n ARG 68 N -1.24 0.26 -4.10 1.61 1.74 -1.26 -5.07 116.66 108.61 3a6b n ARG 68 Ca -0.09 -0.78 -0.34 0.00 -0.77 0.00 0.00 57.85 55.87 3a6b n ARG 68 Cb 0.48 -0.57 -0.14 0.00 -1.02 0.00 0.00 32.46 31.21 3a6b n ARG 68 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3a6b s THR 69 N -0.17 3.13 0.26 0.55 2.01 -1.26 -4.85 115.64 115.31 3a6b s THR 69 Ca 0.01 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.13 3a6b s THR 69 Cb 0.01 -2.39 -0.10 0.00 0.01 0.00 0.00 72.50 70.02 3a6b s THR 69 CO 0.00 0.46 1.41 -2.84 -0.69 0.00 0.00 174.62 172.96 3a6b s PRO 70 N 1.23 4.29 -0.57 4.92 0.02 -1.26 -2.83 135.00 140.80 3a6b s PRO 70 Ca 0.03 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.31 3a6b s PRO 70 Cb -0.14 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.27 3a6b s PRO 70 CO -0.03 -0.37 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 3a6b n GLY 71 N 1.96 0.78 3.73 0.52 0.00 -1.26 -4.93 105.19 106.00 3a6b n GLY 71 Ca 0.06 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 3a6b n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3a6b n SER 72 N 0.64 3.21 -0.00 1.61 2.88 -1.13 -4.83 113.62 116.00 3a6b n SER 72 Ca -0.05 1.21 0.02 0.00 -1.33 0.00 0.00 58.87 58.72 3a6b n SER 72 Cb 0.21 -1.54 -0.02 0.00 -0.75 0.00 0.00 64.21 62.10 3a6b n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3a6b n ARG 73 N 0.60 0.47 -3.90 -1.46 1.74 -0.48 -5.01 116.66 108.63 3a6b n ARG 73 Ca 0.04 -0.03 -0.29 0.00 -0.77 0.00 0.00 57.85 56.80 3a6b n ARG 73 Cb 0.37 -1.05 -0.00 0.00 -1.02 0.00 0.00 32.46 30.76 3a6b n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3a6b n ASN 74 N -1.58 -1.85 0.23 0.55 4.05 -1.16 -4.85 115.26 110.64 3a6b n ASN 74 Ca -0.01 -1.04 0.12 0.00 0.45 0.00 0.00 54.58 54.11 3a6b n ASN 74 Cb 0.08 -3.01 0.73 0.00 1.23 0.00 0.00 39.78 38.81 3a6b n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3a6b h LEU 75 N -1.91 0.00 -0.51 1.20 3.38 -0.44 -1.07 115.31 115.97 3a6b h LEU 75 Ca -0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.32 3a6b h LEU 75 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3a6b h LEU 75 CO 0.58 0.00 -0.17 0.00 0.09 0.00 0.00 178.44 178.94 3a6b n ASN 77 N -0.57 -2.28 -3.70 0.00 3.02 -0.41 -4.97 115.26 106.36 3a6b n ASN 77 Ca 0.14 -0.91 -0.14 0.00 -0.03 0.00 0.00 54.58 53.64 3a6b n ASN 77 Cb 0.33 -3.72 -0.09 0.00 -0.61 0.00 0.00 39.78 35.69 3a6b n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3a6b s ILE 78 N -3.68 0.02 0.29 2.41 1.10 -1.26 -5.08 121.20 115.00 3a6b s ILE 78 Ca 0.14 -0.15 -0.29 0.00 -0.51 0.00 0.00 60.65 59.84 3a6b s ILE 78 Cb -0.04 -0.70 -0.10 0.00 0.15 0.00 0.00 42.46 41.77 3a6b s ILE 78 CO 0.84 -0.08 1.11 -2.16 -2.11 0.00 0.00 174.94 172.54 3a6b s PRO 79 N -0.48 4.58 0.54 3.50 0.04 -1.26 -1.56 135.00 140.36 3a6b s PRO 79 Ca -0.06 1.82 0.22 0.00 0.04 0.00 0.00 61.00 63.02 3a6b s PRO 79 Cb -0.03 -3.14 1.41 0.00 0.04 0.00 0.00 34.50 32.78 3a6b s PRO 79 CO 0.03 0.15 2.11 0.00 0.04 0.00 0.00 177.00 179.34 3a6b h SER 81 N 0.00 0.11 0.76 0.00 4.64 -1.91 0.48 113.55 117.64 3a6b h SER 81 Ca 0.08 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3a6b h SER 81 Cb 0.35 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3a6b h SER 81 CO -0.00 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 3a6b h ALA 82 N 1.86 1.00 -0.06 5.18 0.00 -1.62 -2.22 119.26 123.40 3a6b h ALA 82 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3a6b h ALA 82 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3a6b h ALA 82 CO -0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.51 3a6b n LEU 83 N -2.81 1.83 -1.93 0.00 4.77 0.16 -4.02 117.00 115.00 3a6b n LEU 83 Ca 0.00 -0.65 -0.23 0.00 -0.03 0.00 0.00 56.01 55.10 3a6b n LEU 83 Cb 0.24 -0.03 0.09 0.00 -2.33 0.00 0.00 43.42 41.39 3a6b n LEU 83 CO 0.23 0.33 0.81 0.18 -1.33 0.00 0.00 177.39 177.61 3a6b n LEU 84 N 0.43 5.80 -4.78 2.23 4.32 -0.83 -3.83 117.00 120.34 3a6b n LEU 84 Ca 0.18 -4.29 -0.23 0.00 -0.02 0.00 0.00 56.01 51.65 3a6b n LEU 84 Cb 0.40 -0.66 -0.05 0.00 -1.62 0.00 0.00 43.42 41.48 3a6b n LEU 84 CO 0.16 1.62 -0.21 -0.55 -1.22 0.00 0.00 177.39 177.19 3a6b s SER 85 N -2.59 5.33 0.37 -1.43 0.15 -1.26 -4.74 113.70 109.53 3a6b s SER 85 Ca 0.55 -0.30 0.27 0.00 0.70 0.00 0.00 55.95 57.16 3a6b s SER 85 Cb 0.45 -1.30 0.91 0.00 -1.71 0.00 0.00 66.02 64.37 3a6b s SER 85 CO 0.02 -0.01 1.78 0.28 1.20 0.00 0.00 173.24 176.51 3a6b h SER 86 N 1.75 0.00 -3.50 5.45 0.02 -1.95 -3.41 113.55 111.91 3a6b h SER 86 Ca -0.48 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 59.86 3a6b h SER 86 Cb 1.23 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.66 3a6b h SER 86 CO 0.61 0.00 0.25 -0.62 -1.14 0.00 0.00 176.83 175.93 3a6b s ASP 87 N -5.18 6.55 0.00 3.07 -1.08 -1.26 -4.95 116.67 113.82 3a6b s ASP 87 Ca 0.05 0.48 0.22 0.00 -0.52 0.00 0.00 52.55 52.79 3a6b s ASP 87 Cb 0.09 -2.36 1.24 0.00 -1.46 0.00 0.00 42.92 40.43 3a6b s ASP 87 CO 0.55 -0.55 1.81 2.30 0.52 0.00 0.00 175.17 179.79 3a6b n ILE 88 N 5.48 0.02 -0.16 4.11 -5.35 -1.26 -4.41 119.36 117.79 3a6b n ILE 88 Ca 0.01 -0.05 -0.10 0.00 -0.27 0.00 0.00 62.75 62.34 3a6b n ILE 88 Cb 0.48 -0.23 -0.06 0.00 -1.74 0.00 0.00 39.64 38.10 3a6b n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3a6b h THR 89 N 0.34 0.08 -0.73 7.28 2.02 -1.94 -0.62 112.91 119.33 3a6b h THR 89 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3a6b h THR 89 Cb 0.07 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.53 3a6b h THR 89 CO 0.00 0.00 0.30 0.00 0.37 0.00 0.00 175.52 176.19 3a6b h ALA 90 N 0.38 1.14 -0.68 6.16 0.00 -1.83 -1.19 119.26 123.24 3a6b h ALA 90 Ca 0.14 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3a6b h ALA 90 Cb 0.58 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3a6b h ALA 90 CO -0.62 0.62 0.14 0.77 0.00 0.00 0.00 179.25 180.16 3a6b h SER 91 N 1.06 1.06 -0.27 0.00 0.02 -1.68 -1.84 113.55 111.90 3a6b h SER 91 Ca 0.25 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 3a6b h SER 91 Cb 0.19 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3a6b h SER 91 CO -0.02 1.03 -0.10 0.58 -1.14 0.00 0.00 176.83 177.18 3a6b h VAL 92 N 1.05 1.29 -0.52 2.27 2.07 -0.82 0.59 116.25 122.17 3a6b h VAL 92 Ca 0.21 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.64 3a6b h VAL 92 Cb 0.40 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3a6b h VAL 92 CO 0.01 0.36 0.23 0.78 0.02 0.00 0.00 177.57 178.97 3a6b h ASN 93 N 0.29 0.29 -0.34 0.57 2.35 -1.06 -0.15 115.58 117.53 3a6b h ASN 93 Ca 0.06 0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.76 3a6b h ASN 93 Cb 0.59 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 3a6b h ASN 93 CO 0.03 0.20 -0.19 0.00 -1.65 0.00 0.00 177.43 175.82 3a6b h ALA 95 N 0.77 1.51 -0.67 0.00 0.00 -0.39 0.34 119.26 120.82 3a6b h ALA 95 Ca 0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3a6b h ALA 95 Cb 0.74 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3a6b h ALA 95 CO 0.06 0.35 0.23 0.87 0.00 0.00 0.00 179.25 180.76 3a6b h LYS 96 N 1.03 1.02 -0.51 0.00 1.57 -0.85 -0.98 116.57 117.85 3a6b h LYS 96 Ca 0.39 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.86 3a6b h LYS 96 Cb 0.21 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3a6b h LYS 96 CO -0.15 0.88 -0.11 -0.22 -0.57 0.00 0.00 179.45 179.28 3a6b h LYS 97 N 0.96 0.98 -0.34 3.15 3.64 -0.97 -2.19 116.57 121.80 3a6b h LYS 97 Ca 0.22 -0.37 0.02 0.00 -1.27 0.00 0.00 60.65 59.25 3a6b h LYS 97 Cb 0.26 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 3a6b h LYS 97 CO -0.01 1.04 0.17 0.82 -2.27 0.00 0.00 179.45 179.21 3a6b h ILE 98 N 0.84 1.00 0.00 2.00 2.04 -0.65 -1.77 117.51 120.98 3a6b h ILE 98 Ca 0.13 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3a6b h ILE 98 Cb 0.67 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3a6b h ILE 98 CO 0.05 0.07 0.00 0.55 0.00 0.00 0.00 178.15 178.81 3a6b n VAL 99 N -4.93 0.49 1.57 1.67 3.14 -0.40 -2.41 118.33 117.45 3a6b n VAL 99 Ca 0.00 0.12 0.08 0.00 -2.96 0.00 0.00 64.34 61.58 3a6b n VAL 99 Cb 0.07 -0.76 0.36 0.00 -1.06 0.00 0.00 33.84 32.46 3a6b n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3a6b n SER 100 N -1.45 0.87 -4.94 6.55 7.64 -0.66 -4.29 113.62 117.32 3a6b n SER 100 Ca 0.06 -1.68 -0.25 0.00 1.01 0.00 0.00 58.87 58.02 3a6b n SER 100 Cb 0.23 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 3a6b n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3a6b s ASP 101 N -1.43 6.35 0.63 6.43 2.15 -1.01 -4.98 116.67 124.80 3a6b s ASP 101 Ca 0.25 0.28 0.31 0.00 0.43 0.00 0.00 52.55 53.83 3a6b s ASP 101 Cb 0.13 -1.96 1.73 0.00 -0.30 0.00 0.00 42.92 42.53 3a6b s ASP 101 CO 0.20 -0.07 2.05 1.23 -0.17 0.00 0.00 175.17 178.41 3a6b h GLY 102 N 1.64 0.00 2.00 2.66 0.00 -1.88 -0.91 103.07 106.58 3a6b h GLY 102 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3a6b h GLY 102 CO 0.65 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.89 3a6b n ASN 103 N -3.38 0.41 0.00 0.19 3.02 -1.26 -4.97 115.26 109.26 3a6b n ASN 103 Ca 0.01 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 55.13 3a6b n ASN 103 Cb 0.36 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 3a6b n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a6b n GLY 104 N 0.53 2.26 0.00 7.41 0.00 -0.35 -1.77 105.19 113.26 3a6b n GLY 104 Ca 0.04 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.81 3a6b n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a6b n MET 105 N 13.22 0.82 0.00 1.61 2.81 -1.26 -3.31 117.12 131.00 3a6b n MET 105 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.95 3a6b n MET 105 Cb 0.00 -1.39 0.29 0.00 -0.71 0.00 0.00 33.22 31.41 3a6b n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3a6b n ASN 106 N -0.89 0.00 0.25 7.83 3.02 -0.73 -1.47 115.26 123.28 3a6b n ASN 106 Ca 0.15 0.22 0.13 0.00 -0.03 0.00 0.00 54.58 55.04 3a6b n ASN 106 Cb 0.07 -0.34 0.65 0.00 -0.61 0.00 0.00 39.78 39.55 3a6b n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a6b h ALA 107 N 2.52 1.14 -2.31 5.41 0.00 -1.73 -3.39 119.26 120.90 3a6b h ALA 107 Ca 0.00 -0.13 -0.74 0.00 0.00 0.00 0.00 54.91 54.04 3a6b h ALA 107 Cb 0.13 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 17.68 3a6b h ALA 107 CO 0.00 0.18 -0.32 -1.58 0.00 0.00 0.00 179.25 177.53 3a6b s TRP 108 N -3.94 3.24 0.18 0.00 0.51 -0.54 -4.96 118.94 113.43 3a6b s TRP 108 Ca -0.01 -0.89 -0.13 0.00 -2.12 0.00 0.00 56.10 52.95 3a6b s TRP 108 Cb 0.12 -3.14 0.15 0.00 -0.81 0.00 0.00 33.47 29.78 3a6b s TRP 108 CO 0.59 -0.79 1.79 0.28 -0.51 0.00 0.00 176.95 178.31 3a6b h VAL 109 N 5.75 0.97 -0.73 4.03 2.07 -1.85 -1.20 116.25 125.29 3a6b h VAL 109 Ca -0.28 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3a6b h VAL 109 Cb 1.11 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3a6b h VAL 109 CO 0.87 0.10 0.47 0.00 0.02 0.00 0.00 177.57 179.03 3a6b h ALA 110 N 1.28 0.93 -0.59 1.67 0.00 -1.93 0.46 119.26 121.08 3a6b h ALA 110 Ca 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3a6b h ALA 110 Cb 0.13 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3a6b h ALA 110 CO -0.15 0.36 0.32 2.35 0.00 0.00 0.00 179.25 182.13 3a6b h TRP 111 N 0.99 0.81 -0.57 0.00 7.01 -1.74 0.33 115.95 122.78 3a6b h TRP 111 Ca 0.26 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.22 3a6b h TRP 111 Cb -0.08 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 26.69 3a6b h TRP 111 CO -0.02 0.59 0.25 -0.09 -2.79 0.00 0.00 178.44 176.38 3a6b h ARG 112 N 0.80 0.84 0.00 2.65 2.43 -0.66 0.35 114.38 120.79 3a6b h ARG 112 Ca 0.21 -0.14 -0.15 0.00 -0.81 0.00 0.00 59.98 59.09 3a6b h ARG 112 Cb 0.05 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3a6b h ARG 112 CO -0.03 0.71 -0.85 -0.91 -1.51 0.00 0.00 179.97 177.37 3a6b h ASN 113 N 0.78 0.00 0.00 -3.80 -0.26 -0.61 -3.37 115.58 108.33 3a6b h ASN 113 Ca 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 3a6b h ASN 113 Cb 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 3a6b h ASN 113 CO -0.02 0.66 -0.06 0.54 -1.06 0.00 0.00 177.43 177.48 3a6b n ARG 114 N -3.18 6.11 -0.03 0.81 5.12 0.11 -4.90 116.66 120.71 3a6b n ARG 114 Ca -0.02 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.85 3a6b n ARG 114 Cb 0.82 -0.50 -0.02 0.00 -1.16 0.00 0.00 32.46 31.60 3a6b n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3a6b n LYS 116 N -3.11 2.36 -0.08 0.00 4.81 0.44 -1.20 118.16 121.37 3a6b n LYS 116 Ca -0.11 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 3a6b n LYS 116 Cb 0.59 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 32.94 3a6b n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a6b n GLY 117 N 4.09 0.88 3.96 3.14 0.00 -1.26 -4.93 105.19 111.07 3a6b n GLY 117 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 3a6b n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a6b s THR 118 N -2.40 2.66 -1.25 2.61 -4.23 -0.34 -5.00 115.64 107.68 3a6b s THR 118 Ca 0.00 -1.15 -0.18 0.00 -1.18 0.00 0.00 61.69 59.18 3a6b s THR 118 Cb 0.00 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 71.03 3a6b s THR 118 CO 0.00 0.00 1.93 -0.67 -0.54 0.00 0.00 174.62 175.34 3a6b n ASP 119 N -1.80 3.99 0.31 3.99 2.03 -1.26 -4.77 116.55 119.03 3a6b n ASP 119 Ca 0.07 -2.83 0.17 0.00 0.52 0.00 0.00 54.79 52.72 3a6b n ASP 119 Cb 0.61 -1.64 0.98 0.00 -0.72 0.00 0.00 41.12 40.35 3a6b n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3a6b h VAL 120 N 5.11 0.40 0.00 5.18 -1.51 -1.91 -1.76 116.25 121.77 3a6b h VAL 120 Ca 0.44 -0.02 -0.01 0.00 -1.23 0.00 0.00 66.70 65.87 3a6b h VAL 120 Cb 0.79 1.02 -0.00 0.00 -2.13 0.00 0.00 31.29 30.97 3a6b h VAL 120 CO 1.60 0.00 -0.04 -0.61 -1.23 0.00 0.00 177.57 177.29 3a6b h GLN 121 N 0.00 0.00 -0.03 5.19 5.75 -1.87 -1.34 115.11 122.81 3a6b h GLN 121 Ca -0.00 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 3a6b h GLN 121 Cb 0.02 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.56 3a6b h GLN 121 CO 0.00 0.04 0.04 0.00 -2.65 0.00 0.00 178.83 176.26 3a6b h ALA 122 N 1.96 1.47 0.00 3.38 0.00 -1.71 -1.49 119.26 122.87 3a6b h ALA 122 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a6b h ALA 122 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3a6b h ALA 122 CO 0.01 -0.06 0.00 0.91 0.00 0.00 0.00 179.25 180.11 3a6b n TRP 123 N -3.67 0.23 -0.06 0.00 7.02 -0.50 -3.08 117.44 117.38 3a6b n TRP 123 Ca -0.02 0.08 0.00 0.00 -1.02 0.00 0.00 57.50 56.54 3a6b n TRP 123 Cb 0.13 -0.64 0.00 0.00 -2.42 0.00 0.00 31.31 28.38 3a6b n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 3a6b n ILE 124 N -1.70 0.00 -2.41 -0.99 -5.35 -0.59 -4.82 119.36 103.50 3a6b n ILE 124 Ca 0.04 -0.47 -0.38 0.00 -0.27 0.00 0.00 62.75 61.68 3a6b n ILE 124 Cb 0.24 1.06 -0.03 0.00 -1.74 0.00 0.00 39.64 39.17 3a6b n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3a6b s ARG 125 N -0.06 4.14 -0.45 6.28 3.52 -1.04 -3.36 118.95 127.97 3a6b s ARG 125 Ca 0.00 1.71 0.00 0.00 -0.13 0.00 0.00 55.73 57.31 3a6b s ARG 125 Cb 0.00 -2.67 0.00 0.00 -1.56 0.00 0.00 34.95 30.72 3a6b s ARG 125 CO 0.00 -0.20 0.00 0.41 -0.81 0.00 0.00 175.30 174.70 3a6b n GLY 126 N 0.58 0.54 3.29 8.12 0.00 -1.26 -5.03 105.19 111.43 3a6b n GLY 126 Ca 0.04 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 3a6b n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a6b s ARG 128 N -0.94 3.96 0.00 0.00 1.81 -1.26 -5.13 118.95 117.39 3a6b s ARG 128 Ca 0.10 0.74 0.13 0.00 -1.72 0.00 0.00 55.73 54.98 3a6b s ARG 128 Cb -0.09 -3.75 0.10 0.00 -0.45 0.00 0.00 34.95 30.76 3a6b s ARG 128 CO 0.01 -0.83 0.91 1.28 -0.68 0.00 0.00 175.30 175.99