#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dr6 s ILE 3 N 0.00 1.67 0.19 2.28 1.01 -1.26 -0.70 121.20 124.39 3dr6 s ILE 3 Ca 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 3dr6 s ILE 3 Cb 0.00 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 3dr6 s ILE 3 CO 0.00 0.47 0.20 0.00 0.00 0.00 0.00 174.94 175.62 3dr6 s ARG 4 N 0.09 1.19 0.35 2.79 1.70 -0.39 -4.98 118.95 119.70 3dr6 s ARG 4 Ca -0.07 -1.44 -0.28 0.00 -0.47 0.00 0.00 55.73 53.47 3dr6 s ARG 4 Cb -0.14 0.32 -0.10 0.00 -0.57 0.00 0.00 34.95 34.46 3dr6 s ARG 4 CO 0.04 -0.41 1.37 -0.06 -1.08 0.00 0.00 175.30 175.16 3dr6 s PHE 5 N -4.08 2.86 0.59 5.89 0.08 -1.26 -0.59 117.98 121.48 3dr6 s PHE 5 Ca 0.29 1.32 -0.17 0.00 0.12 0.00 0.00 56.93 58.49 3dr6 s PHE 5 Cb 0.05 -3.81 -0.04 0.00 -0.57 0.00 0.00 43.02 38.65 3dr6 s PHE 5 CO 0.07 -2.30 1.08 0.00 -0.10 0.00 0.00 175.22 173.97 3dr6 s ALA 6 N -1.14 2.69 0.36 5.36 0.00 0.78 -4.71 121.76 125.10 3dr6 s ALA 6 Ca 0.51 0.52 0.08 0.00 0.00 0.00 0.00 51.96 53.06 3dr6 s ALA 6 Cb -0.42 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 3dr6 s ALA 6 CO 0.57 -0.85 0.13 -0.51 0.00 0.00 0.00 175.76 175.10 3dr6 s ASP 7 N -2.49 4.52 0.36 0.00 1.01 -1.26 -4.96 116.67 113.85 3dr6 s ASP 7 Ca 0.66 -0.90 0.15 0.00 0.71 0.00 0.00 52.55 53.17 3dr6 s ASP 7 Cb -0.18 -0.62 1.02 0.00 1.01 0.00 0.00 42.92 44.15 3dr6 s ASP 7 CO 0.34 -0.36 1.74 0.11 0.21 0.00 0.00 175.17 177.21 3dr6 h LYS 8 N 1.56 0.45 0.00 8.23 1.57 -2.00 -1.21 116.57 125.16 3dr6 h LYS 8 Ca -0.43 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3dr6 h LYS 8 Cb 1.25 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3dr6 h LYS 8 CO 0.66 0.30 0.00 0.00 -0.57 0.00 0.00 179.45 179.83 3dr6 n ALA 9 N -2.39 1.54 1.22 3.86 0.00 -1.26 -2.29 120.51 121.18 3dr6 n ALA 9 Ca 0.27 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.94 3dr6 n ALA 9 Cb 0.85 -1.36 0.45 0.00 0.00 0.00 0.00 19.45 19.38 3dr6 n ALA 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dr6 n ASP 10 N -2.21 0.62 0.13 0.00 8.00 -0.46 -4.37 116.55 118.27 3dr6 n ASP 10 Ca 0.01 -0.51 -0.01 0.00 0.71 0.00 0.00 54.79 55.00 3dr6 n ASP 10 Cb 0.19 0.03 0.21 0.00 -0.02 0.00 0.00 41.12 41.54 3dr6 n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dr6 h ALA 12 N 1.41 0.70 -0.55 0.00 0.00 -1.81 -0.88 119.26 118.13 3dr6 h ALA 12 Ca -0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3dr6 h ALA 12 Cb 0.96 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3dr6 h ALA 12 CO 0.07 0.29 0.02 0.00 0.00 0.00 0.00 179.25 179.64 3dr6 h ALA 13 N 1.07 0.74 -0.45 0.00 0.00 -1.75 -2.54 119.26 116.33 3dr6 h ALA 13 Ca 0.18 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3dr6 h ALA 13 Cb 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3dr6 h ALA 13 CO -0.02 0.55 0.26 0.82 0.00 0.00 0.00 179.25 180.86 3dr6 h ILE 14 N 0.84 1.03 -0.55 0.00 2.04 -1.15 -2.27 117.51 117.45 3dr6 h ILE 14 Ca 0.16 -0.18 0.07 0.00 1.00 0.00 0.00 64.86 65.91 3dr6 h ILE 14 Cb 0.51 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 3dr6 h ILE 14 CO 0.02 0.09 0.22 0.74 0.00 0.00 0.00 178.15 179.23 3dr6 h THR 15 N 0.52 0.84 -0.32 -0.27 2.02 -1.01 0.26 112.91 114.95 3dr6 h THR 15 Ca 0.19 -0.15 0.02 0.00 0.77 0.00 0.00 66.41 67.24 3dr6 h THR 15 Cb 0.04 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 3dr6 h THR 15 CO -0.10 0.08 0.16 -0.33 0.37 0.00 0.00 175.52 175.71 3dr6 h GLU 16 N 0.42 0.33 -0.41 6.66 5.08 -1.15 -0.25 114.58 125.27 3dr6 h GLU 16 Ca 0.26 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.56 3dr6 h GLU 16 Cb 0.27 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3dr6 h GLU 16 CO -0.25 0.22 0.06 0.82 -1.00 0.00 0.00 179.01 178.86 3dr6 h ILE 17 N 0.34 1.24 -0.02 3.13 2.04 -0.81 -1.13 117.51 122.30 3dr6 h ILE 17 Ca 0.13 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.13 3dr6 h ILE 17 Cb 0.04 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3dr6 h ILE 17 CO -0.08 0.30 -0.13 0.22 0.00 0.00 0.00 178.15 178.46 3dr6 h TYR 18 N 0.53 -0.33 -0.74 1.37 3.20 -0.35 -1.54 116.97 119.11 3dr6 h TYR 18 Ca 0.12 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 3dr6 h TYR 18 Cb 0.38 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 3dr6 h TYR 18 CO 0.03 -0.20 0.36 -0.91 -1.64 0.00 0.00 178.16 175.80 3dr6 h ASN 19 N -0.21 0.95 -0.17 -2.11 2.35 -0.97 0.01 115.58 115.44 3dr6 h ASN 19 Ca 0.05 -0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3dr6 h ASN 19 Cb 0.28 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 3dr6 h ASN 19 CO -0.15 0.80 -0.01 -0.74 -1.65 0.00 0.00 177.43 175.69 3dr6 h HIS 20 N 1.05 -0.03 -0.57 1.19 -0.00 -1.04 -0.29 115.15 115.46 3dr6 h HIS 20 Ca 0.26 0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.69 3dr6 h HIS 20 Cb 0.10 0.04 -0.05 0.00 -0.00 0.00 0.00 27.41 27.50 3dr6 h HIS 20 CO 0.01 -0.04 0.29 0.00 -0.00 0.00 0.00 177.93 178.19 3dr6 h ALA 21 N 1.15 0.73 -0.23 5.26 0.00 -0.55 -0.43 119.26 125.19 3dr6 h ALA 21 Ca 0.08 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dr6 h ALA 21 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3dr6 h ALA 21 CO -0.14 -0.06 0.12 0.28 0.00 0.00 0.00 179.25 179.45 3dr6 h VAL 22 N 0.54 1.12 0.13 0.00 2.07 -0.74 -2.82 116.25 116.54 3dr6 h VAL 22 Ca 0.25 -0.31 -0.30 0.00 0.82 0.00 0.00 66.70 67.17 3dr6 h VAL 22 Cb 0.18 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3dr6 h VAL 22 CO -0.18 0.11 -1.43 -0.07 0.02 0.00 0.00 177.57 176.02 3dr6 h LEU 23 N 0.26 0.41 -2.15 2.57 3.38 -0.83 -3.41 115.31 115.55 3dr6 h LEU 23 Ca 0.08 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3dr6 h LEU 23 Cb 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3dr6 h LEU 23 CO -0.01 1.42 0.00 1.41 0.09 0.00 0.00 178.44 181.35 3dr6 n HIS 24 N -3.49 0.00 -4.12 1.13 8.25 -0.19 -5.03 115.22 111.77 3dr6 n HIS 24 Ca -0.14 -0.29 -0.09 0.00 -0.26 0.00 0.00 57.72 56.94 3dr6 n HIS 24 Cb 1.04 -0.03 -0.10 0.00 1.12 0.00 0.00 29.99 32.02 3dr6 n HIS 24 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3dr6 s THR 25 N -0.59 0.11 -0.31 1.59 -4.23 -1.06 -5.01 115.64 106.14 3dr6 s THR 25 Ca 0.00 -1.82 0.10 0.00 -1.18 0.00 0.00 61.69 58.78 3dr6 s THR 25 Cb 0.00 -1.96 0.67 0.00 1.34 0.00 0.00 72.50 72.54 3dr6 s THR 25 CO 0.00 -0.49 1.71 0.00 -0.54 0.00 0.00 174.62 175.30 3dr6 n ALA 26 N -0.09 4.44 0.28 3.99 0.00 -1.26 -4.56 120.51 123.31 3dr6 n ALA 26 Ca -0.07 -2.55 0.12 0.00 0.00 0.00 0.00 53.44 50.94 3dr6 n ALA 26 Cb 0.63 -1.11 0.16 0.00 0.00 0.00 0.00 19.45 19.13 3dr6 n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dr6 h ALA 27 N 2.05 0.84 -3.69 0.00 0.00 -1.96 -3.43 119.26 113.07 3dr6 h ALA 27 Ca 0.27 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.80 3dr6 h ALA 27 Cb 2.17 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 19.64 3dr6 h ALA 27 CO 0.65 0.00 -0.77 -1.50 0.00 0.00 0.00 179.25 177.64 3dr6 s ILE 28 N -3.23 0.52 -0.95 0.00 2.07 -1.26 -5.00 121.20 113.35 3dr6 s ILE 28 Ca 0.06 -0.19 -0.02 0.00 -1.41 0.00 0.00 60.65 59.08 3dr6 s ILE 28 Cb 0.08 -0.50 0.28 0.00 0.13 0.00 0.00 42.46 42.45 3dr6 s ILE 28 CO 0.70 0.19 2.05 0.79 -1.91 0.00 0.00 174.94 176.75 3dr6 n TRP 29 N 3.52 2.71 -4.37 3.50 8.01 -1.26 -4.76 117.44 124.80 3dr6 n TRP 29 Ca -0.20 -2.45 -0.24 0.00 -1.31 0.00 0.00 57.50 53.29 3dr6 n TRP 29 Cb 0.54 -1.29 -0.12 0.00 -2.01 0.00 0.00 31.31 28.43 3dr6 n TRP 29 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.69 175.88 3dr6 s ASN 30 N -0.89 3.01 -0.05 -0.99 0.02 -1.26 -5.02 114.94 109.76 3dr6 s ASN 30 Ca 0.47 -0.85 0.08 0.00 -1.02 0.00 0.00 52.86 51.54 3dr6 s ASN 30 Cb 0.29 -0.20 -0.12 0.00 0.02 0.00 0.00 41.25 41.24 3dr6 s ASN 30 CO -0.23 0.04 0.11 0.47 0.02 0.00 0.00 177.10 177.51 3dr6 n ASP 31 N 0.33 2.98 -4.55 -1.22 8.00 -1.26 -4.72 116.55 116.10 3dr6 n ASP 31 Ca -0.13 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.07 3dr6 n ASP 31 Cb 0.56 1.05 -0.11 0.00 -0.02 0.00 0.00 41.12 42.61 3dr6 n ASP 31 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3dr6 s ARG 32 N -2.40 2.13 0.69 -1.24 3.00 -1.26 -4.81 118.95 115.06 3dr6 s ARG 32 Ca -0.04 -1.00 -0.12 0.00 0.00 0.00 0.00 55.73 54.58 3dr6 s ARG 32 Cb 0.04 -2.29 0.01 0.00 0.00 0.00 0.00 34.95 32.71 3dr6 s ARG 32 CO 0.35 0.52 1.07 0.95 0.00 0.00 0.00 175.30 178.19 3dr6 s THR 33 N -1.13 3.86 0.41 0.02 -4.23 -1.26 -5.01 115.64 108.29 3dr6 s THR 33 Ca 0.19 0.65 0.05 0.00 -1.18 0.00 0.00 61.69 61.40 3dr6 s THR 33 Cb -0.11 -3.31 -0.06 0.00 1.34 0.00 0.00 72.50 70.37 3dr6 s THR 33 CO 0.11 -0.74 0.03 0.68 -0.54 0.00 0.00 174.62 174.16 3dr6 s VAL 34 N -2.91 1.48 0.49 2.29 -7.23 -1.26 -5.13 120.40 108.14 3dr6 s VAL 34 Ca 0.60 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.85 3dr6 s VAL 34 Cb -0.15 -2.70 0.04 0.00 0.56 0.00 0.00 36.38 34.13 3dr6 s VAL 34 CO 0.52 0.00 0.62 1.51 -0.31 0.00 0.00 175.10 177.44 3dr6 s ASP 35 N -3.68 5.25 0.27 4.85 1.47 -1.26 -4.97 116.67 118.60 3dr6 s ASP 35 Ca 0.28 -0.72 -0.03 0.00 1.18 0.00 0.00 52.55 53.26 3dr6 s ASP 35 Cb 0.07 -0.16 0.38 0.00 -0.34 0.00 0.00 42.92 42.87 3dr6 s ASP 35 CO 0.14 -1.01 1.92 0.74 0.68 0.00 0.00 175.17 177.64 3dr6 h THR 36 N 0.52 1.18 -0.67 2.11 2.02 -1.94 -2.14 112.91 113.97 3dr6 h THR 36 Ca -0.36 -0.42 0.04 0.00 0.77 0.00 0.00 66.41 66.45 3dr6 h THR 36 Cb 1.28 -0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 3dr6 h THR 36 CO 0.46 0.22 0.45 0.44 0.37 0.00 0.00 175.52 177.46 3dr6 h ASP 37 N 1.22 0.68 -0.50 4.18 3.32 -1.95 -0.03 116.42 123.32 3dr6 h ASP 37 Ca 0.37 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.37 3dr6 h ASP 37 Cb -0.02 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3dr6 h ASP 37 CO -0.11 0.46 0.11 -1.13 -1.72 0.00 0.00 179.24 176.85 3dr6 h ASN 38 N 0.78 0.77 0.86 6.45 -0.73 -1.79 -0.83 115.58 121.10 3dr6 h ASN 38 Ca 0.27 -0.24 -0.11 0.00 1.87 0.00 0.00 56.30 58.09 3dr6 h ASN 38 Cb 0.11 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.48 3dr6 h ASN 38 CO -0.08 0.82 -0.55 0.03 -0.37 0.00 0.00 177.43 177.28 3dr6 h ARG 39 N 0.70 0.00 -0.23 6.67 2.47 -1.16 -0.48 114.38 122.35 3dr6 h ARG 39 Ca 0.16 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.87 3dr6 h ARG 39 Cb 0.35 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 3dr6 h ARG 39 CO 0.00 0.55 0.11 -0.07 0.56 0.00 0.00 179.97 181.12 3dr6 h LEU 40 N 0.00 0.30 -0.07 3.04 3.38 -0.88 0.14 115.31 121.22 3dr6 h LEU 40 Ca -0.01 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3dr6 h LEU 40 Cb 1.12 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 3dr6 h LEU 40 CO 0.07 0.34 -0.11 0.00 0.09 0.00 0.00 178.44 178.83 3dr6 h ALA 41 N 0.98 -0.06 -0.64 1.53 0.00 -0.84 0.49 119.26 120.71 3dr6 h ALA 41 Ca 0.08 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3dr6 h ALA 41 Cb 0.11 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3dr6 h ALA 41 CO -0.01 -0.58 0.36 2.35 0.00 0.00 0.00 179.25 181.37 3dr6 h TRP 42 N -0.15 0.65 -0.13 0.00 7.01 -1.03 -1.18 115.95 121.12 3dr6 h TRP 42 Ca 0.06 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.09 3dr6 h TRP 42 Cb 0.24 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 3dr6 h TRP 42 CO -0.20 0.32 0.09 -0.92 -2.79 0.00 0.00 178.44 174.93 3dr6 h TYR 43 N 0.67 0.17 -0.42 2.65 3.20 -0.25 -1.89 116.97 121.10 3dr6 h TYR 43 Ca 0.28 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 3dr6 h TYR 43 Cb 0.16 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3dr6 h TYR 43 CO -0.08 0.11 0.26 0.93 -1.64 0.00 0.00 178.16 177.74 3dr6 h GLU 44 N 0.17 0.56 -0.73 1.82 4.39 -0.64 -1.10 114.58 119.05 3dr6 h GLU 44 Ca 0.05 -0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.80 3dr6 h GLU 44 Cb -0.01 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.44 3dr6 h GLU 44 CO -0.01 0.40 0.36 0.00 -1.16 0.00 0.00 179.01 178.61 3dr6 h ALA 45 N 1.13 1.02 -0.33 3.43 0.00 -1.10 0.11 119.26 123.52 3dr6 h ALA 45 Ca 0.15 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3dr6 h ALA 45 Cb -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3dr6 h ALA 45 CO -0.03 -0.05 0.17 0.00 0.00 0.00 0.00 179.25 179.34 3dr6 h ARG 46 N 0.61 0.46 -0.83 0.00 2.47 -0.82 -1.86 114.38 114.40 3dr6 h ARG 46 Ca 0.36 -0.06 0.09 0.00 -1.26 0.00 0.00 59.98 59.12 3dr6 h ARG 46 Cb 0.40 -0.09 -0.07 0.00 -1.65 0.00 0.00 29.97 28.56 3dr6 h ARG 46 CO -0.28 0.41 0.48 1.96 0.56 0.00 0.00 179.97 183.10 3dr6 h GLN 47 N 0.40 0.79 -0.63 0.04 1.08 -0.55 -0.32 115.11 115.92 3dr6 h GLN 47 Ca 0.11 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 3dr6 h GLN 47 Cb 0.09 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 3dr6 h GLN 47 CO -0.02 0.52 0.37 -0.07 -0.95 0.00 0.00 178.83 178.68 3dr6 h LEU 48 N 0.81 0.75 0.00 1.46 4.07 -0.34 -1.34 115.31 120.72 3dr6 h LEU 48 Ca 0.40 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.31 3dr6 h LEU 48 Cb 0.35 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.90 3dr6 h LEU 48 CO -0.24 0.59 0.00 0.18 -1.08 0.00 0.00 178.44 177.89 3dr6 n LEU 49 N -4.40 0.00 -0.35 1.67 4.77 -0.63 -4.91 117.00 113.15 3dr6 n LEU 49 Ca 0.06 0.44 -0.05 0.00 -0.03 0.00 0.00 56.01 56.43 3dr6 n LEU 49 Cb 0.08 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.71 3dr6 n LEU 49 CO 0.37 -0.00 -0.04 0.61 -1.33 0.00 0.00 177.39 176.99 3dr6 n GLY 50 N 1.40 0.73 3.87 -0.72 0.00 -0.51 -5.04 105.19 104.92 3dr6 n GLY 50 Ca 0.09 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 3dr6 n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dr6 s TYR 51 N -2.12 3.50 0.28 1.61 2.02 -0.23 -5.00 117.35 117.42 3dr6 s TYR 51 Ca 0.00 0.81 -0.23 0.00 -0.37 0.00 0.00 57.07 57.28 3dr6 s TYR 51 Cb 0.00 -2.19 -0.09 0.00 -0.40 0.00 0.00 41.96 39.28 3dr6 s TYR 51 CO 0.00 0.39 0.85 -1.25 -1.57 0.00 0.00 175.55 173.97 3dr6 s PRO 52 N -2.43 4.42 -0.20 -1.71 0.04 -1.26 -4.18 135.00 129.68 3dr6 s PRO 52 Ca 0.41 1.12 0.01 0.00 0.04 0.00 0.00 61.00 62.58 3dr6 s PRO 52 Cb -0.13 -2.81 0.04 0.00 0.04 0.00 0.00 34.50 31.64 3dr6 s PRO 52 CO 0.21 0.32 -0.14 0.08 0.04 0.00 0.00 177.00 177.51 3dr6 s VAL 53 N -1.59 1.87 0.08 -0.36 1.01 -1.26 -3.82 120.40 116.33 3dr6 s VAL 53 Ca 0.47 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 61.43 3dr6 s VAL 53 Cb -0.17 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3dr6 s VAL 53 CO 0.22 0.29 0.03 -0.76 0.00 0.00 0.00 175.10 174.88 3dr6 s LEU 54 N 1.32 3.61 0.06 3.92 1.43 0.43 -0.15 118.68 129.29 3dr6 s LEU 54 Ca 0.00 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.07 3dr6 s LEU 54 Cb -0.15 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 3dr6 s LEU 54 CO -0.09 0.18 -0.20 0.68 0.23 0.00 0.00 176.35 177.15 3dr6 s VAL 55 N -1.33 1.60 0.13 -1.59 -7.23 0.25 -1.38 120.40 110.84 3dr6 s VAL 55 Ca 0.27 -1.28 -0.15 0.00 -1.81 0.00 0.00 61.98 59.02 3dr6 s VAL 55 Cb -0.12 -1.42 -0.07 0.00 0.56 0.00 0.00 36.38 35.33 3dr6 s VAL 55 CO 0.20 0.10 0.53 -0.94 -0.31 0.00 0.00 175.10 174.68 3dr6 s SER 56 N -1.39 6.84 0.01 4.85 1.04 -0.42 -1.26 113.70 123.37 3dr6 s SER 56 Ca 0.06 1.07 0.01 0.00 0.48 0.00 0.00 55.95 57.57 3dr6 s SER 56 Cb -0.09 -2.29 -0.01 0.00 0.10 0.00 0.00 66.02 63.73 3dr6 s SER 56 CO 0.02 0.14 -0.04 -0.70 0.98 0.00 0.00 173.24 173.64 3dr6 s GLU 57 N -1.82 0.31 -0.12 4.02 2.12 0.12 -0.96 118.70 122.38 3dr6 s GLU 57 Ca 0.36 -0.35 -0.05 0.00 0.36 0.00 0.00 54.97 55.28 3dr6 s GLU 57 Cb -0.15 -0.17 0.06 0.00 0.26 0.00 0.00 34.13 34.12 3dr6 s GLU 57 CO 0.19 0.04 0.26 -2.00 -0.54 0.00 0.00 175.26 173.20 3dr6 s GLU 58 N -0.70 0.16 -1.58 4.30 2.12 -0.30 -1.37 118.70 121.35 3dr6 s GLU 58 Ca -0.05 0.68 -0.14 0.00 0.36 0.00 0.00 54.97 55.82 3dr6 s GLU 58 Cb -0.05 -0.07 0.10 0.00 0.26 0.00 0.00 34.13 34.38 3dr6 s GLU 58 CO -0.00 -0.25 0.90 -1.71 -0.54 0.00 0.00 175.26 173.66 3dr6 n ASN 59 N 5.02 -4.10 0.00 -1.70 5.15 -1.26 -0.55 115.26 117.82 3dr6 n ASN 59 Ca -0.12 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 53.00 3dr6 n ASN 59 Cb 0.51 -3.52 0.00 0.00 -0.53 0.00 0.00 39.78 36.23 3dr6 n ASN 59 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dr6 n GLY 60 N -1.61 0.68 3.69 8.20 0.00 -1.26 -5.02 105.19 109.88 3dr6 n GLY 60 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3dr6 n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dr6 s VAL 61 N -2.96 4.98 -0.23 1.61 1.01 0.28 -5.06 120.40 120.04 3dr6 s VAL 61 Ca 0.00 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 3dr6 s VAL 61 Cb 0.00 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 3dr6 s VAL 61 CO 0.00 0.49 1.40 -0.69 0.00 0.00 0.00 175.10 176.30 3dr6 s VAL 62 N 0.08 4.01 -1.09 2.92 1.01 -1.26 -1.14 120.40 124.93 3dr6 s VAL 62 Ca 0.06 1.17 0.19 0.00 0.00 0.00 0.00 61.98 63.41 3dr6 s VAL 62 Cb -0.12 -3.94 -0.16 0.00 0.00 0.00 0.00 36.38 32.16 3dr6 s VAL 62 CO 0.00 -0.31 0.84 0.35 0.00 0.00 0.00 175.10 175.98 3dr6 n THR 63 N 6.00 0.00 -3.59 3.92 -2.24 -0.13 -4.92 114.28 113.31 3dr6 n THR 63 Ca 0.16 -0.11 0.01 0.00 -2.27 0.00 0.00 64.05 61.84 3dr6 n THR 63 Cb 0.45 1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 69.73 3dr6 n THR 63 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3dr6 s GLY 64 N -2.65 -0.40 0.11 3.38 0.00 -1.24 -0.74 107.32 105.78 3dr6 s GLY 64 Ca 0.09 1.20 -0.11 0.00 0.00 0.00 0.00 44.72 45.90 3dr6 s GLY 64 CO 0.71 0.31 0.27 -2.52 0.00 0.00 0.00 173.10 171.87 3dr6 s TYR 65 N -2.12 0.09 -0.04 1.90 1.13 -0.14 -1.30 117.35 116.87 3dr6 s TYR 65 Ca 0.14 -0.48 -0.11 0.00 -1.41 0.00 0.00 57.07 55.21 3dr6 s TYR 65 Cb 0.05 0.04 0.02 0.00 -1.10 0.00 0.00 41.96 40.96 3dr6 s TYR 65 CO -0.05 -0.63 0.24 0.00 -2.51 0.00 0.00 175.55 172.60 3dr6 s ALA 66 N -3.86 -0.60 0.28 9.51 0.00 -0.48 -0.86 121.76 125.74 3dr6 s ALA 66 Ca 0.07 0.32 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 3dr6 s ALA 66 Cb 0.04 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.09 3dr6 s ALA 66 CO -0.09 -0.20 0.56 0.45 0.00 0.00 0.00 175.76 176.48 3dr6 s SER 67 N -0.87 -0.02 0.08 0.00 0.15 0.15 -0.43 113.70 112.77 3dr6 s SER 67 Ca -0.10 -0.94 0.01 0.00 0.70 0.00 0.00 55.95 55.63 3dr6 s SER 67 Cb -0.05 0.65 -0.04 0.00 -1.71 0.00 0.00 66.02 64.88 3dr6 s SER 67 CO 0.02 -1.26 -0.06 0.72 1.20 0.00 0.00 173.24 173.86 3dr6 s PHE 68 N -3.73 0.77 0.35 3.44 -0.12 -1.25 -0.44 117.98 117.00 3dr6 s PHE 68 Ca 0.20 -0.85 0.05 0.00 -0.05 0.00 0.00 56.93 56.29 3dr6 s PHE 68 Cb -0.02 -0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 41.87 3dr6 s PHE 68 CO 0.10 -0.17 0.22 0.20 -0.05 0.00 0.00 175.22 175.51 3dr6 s GLY 69 N -2.70 2.35 0.30 1.99 0.00 -0.71 -4.69 107.32 103.87 3dr6 s GLY 69 Ca 0.06 -1.76 -0.30 0.00 0.00 0.00 0.00 44.72 42.72 3dr6 s GLY 69 CO -0.04 -1.59 1.54 0.99 0.00 0.00 0.00 173.10 174.00 3dr6 s ASP 70 N -3.43 6.43 0.07 1.64 1.01 -1.26 -0.69 116.67 120.43 3dr6 s ASP 70 Ca 0.35 2.91 -0.16 0.00 0.71 0.00 0.00 52.55 56.36 3dr6 s ASP 70 Cb 0.03 -2.64 -0.13 0.00 1.01 0.00 0.00 42.92 41.18 3dr6 s ASP 70 CO 0.22 -0.86 1.33 -0.25 0.21 0.00 0.00 175.17 175.82 3dr6 h TRP 71 N 4.48 0.78 -4.06 4.23 7.01 -1.74 -3.42 115.95 123.23 3dr6 h TRP 71 Ca -0.48 -0.29 -0.21 0.00 2.11 0.00 0.00 58.89 60.02 3dr6 h TRP 71 Cb 1.22 -0.14 -0.15 0.00 -2.10 0.00 0.00 29.16 27.99 3dr6 h TRP 71 CO 0.58 1.04 -0.67 1.03 -2.79 0.00 0.00 178.44 177.63 3dr6 s ARG 72 N -4.02 0.91 0.14 2.65 0.52 -1.26 -4.95 118.95 112.95 3dr6 s ARG 72 Ca -0.12 -1.41 0.05 0.00 -0.52 0.00 0.00 55.73 53.73 3dr6 s ARG 72 Cb 0.07 -0.02 -0.10 0.00 0.52 0.00 0.00 34.95 35.42 3dr6 s ARG 72 CO 0.83 -0.15 1.33 0.77 0.02 0.00 0.00 175.30 178.10 3dr6 h SER 73 N 2.88 0.09 -4.06 0.23 0.02 -1.96 -3.46 113.55 107.29 3dr6 h SER 73 Ca -0.35 -0.09 -0.49 0.00 -0.84 0.00 0.00 61.79 60.01 3dr6 h SER 73 Cb 1.18 -0.03 0.06 0.00 0.14 0.00 0.00 62.40 63.75 3dr6 h SER 73 CO 0.63 0.99 0.43 -0.36 -1.14 0.00 0.00 176.83 177.37 3dr6 s PHE 74 N -2.92 2.83 0.32 3.45 0.08 -1.26 -4.92 117.98 115.56 3dr6 s PHE 74 Ca -0.01 1.56 0.10 0.00 0.12 0.00 0.00 56.93 58.70 3dr6 s PHE 74 Cb 0.10 -3.25 0.89 0.00 -0.57 0.00 0.00 43.02 40.20 3dr6 s PHE 74 CO 0.82 -1.32 1.72 -0.44 -0.10 0.00 0.00 175.22 175.90 3dr6 h ASP 75 N 1.55 0.62 0.56 1.36 3.32 -2.03 -1.44 116.42 120.37 3dr6 h ASP 75 Ca -0.50 0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3dr6 h ASP 75 Cb 1.25 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3dr6 h ASP 75 CO 0.58 0.06 0.00 1.23 -1.72 0.00 0.00 179.24 179.40 3dr6 h GLY 76 N 0.53 0.00 -2.75 2.75 0.00 -1.97 -2.41 103.07 99.22 3dr6 h GLY 76 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.98 3dr6 h GLY 76 CO -0.50 0.00 0.00 0.69 0.00 0.00 0.00 176.54 176.73 3dr6 n PHE 77 N -2.39 1.10 0.61 5.60 3.01 -0.54 -4.63 117.46 120.21 3dr6 n PHE 77 Ca 0.01 -0.51 0.07 0.00 1.01 0.00 0.00 57.45 58.03 3dr6 n PHE 77 Cb 0.19 -0.07 0.35 0.00 -0.01 0.00 0.00 39.48 39.94 3dr6 n PHE 77 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 3dr6 n ARG 78 N 1.47 0.10 -0.29 -1.08 1.85 -0.91 -0.83 116.66 116.97 3dr6 n ARG 78 Ca 0.24 0.20 0.08 0.00 -1.00 0.00 0.00 57.85 57.37 3dr6 n ARG 78 Cb 0.68 -1.50 0.24 0.00 -1.05 0.00 0.00 32.46 30.83 3dr6 n ARG 78 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3dr6 n TYR 79 N -1.40 0.76 -4.07 2.89 4.02 -1.26 -4.93 117.16 113.17 3dr6 n TYR 79 Ca 0.05 -0.52 -0.34 0.00 -0.01 0.00 0.00 57.90 57.08 3dr6 n TYR 79 Cb 0.15 -0.04 -0.15 0.00 -0.02 0.00 0.00 39.34 39.28 3dr6 n TYR 79 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3dr6 s THR 80 N -1.12 2.82 0.20 -0.72 2.01 -0.01 0.49 115.64 119.31 3dr6 s THR 80 Ca 0.36 -0.68 0.10 0.00 0.31 0.00 0.00 61.69 61.78 3dr6 s THR 80 Cb 0.20 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 3dr6 s THR 80 CO 0.23 0.48 -0.15 0.68 -0.69 0.00 0.00 174.62 175.17 3dr6 s VAL 81 N 1.31 2.84 -0.09 3.82 -7.23 -0.79 -2.33 120.40 117.93 3dr6 s VAL 81 Ca 0.04 -1.88 0.04 0.00 -1.81 0.00 0.00 61.98 58.37 3dr6 s VAL 81 Cb -0.14 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 3dr6 s VAL 81 CO -0.06 -0.16 -0.22 -0.70 -0.31 0.00 0.00 175.10 173.65 3dr6 s GLU 82 N -2.89 2.97 0.38 4.82 2.12 0.13 -0.16 118.70 126.08 3dr6 s GLU 82 Ca 0.24 -0.85 -0.03 0.00 0.36 0.00 0.00 54.97 54.69 3dr6 s GLU 82 Cb -0.08 -2.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.95 3dr6 s GLU 82 CO 0.13 0.24 0.64 -3.38 -0.54 0.00 0.00 175.26 172.36 3dr6 s HIS 83 N 0.20 3.51 -0.06 5.30 -3.43 -0.96 -1.73 115.29 118.12 3dr6 s HIS 83 Ca -0.13 0.62 -0.01 0.00 -0.80 0.00 0.00 55.06 54.74 3dr6 s HIS 83 Cb -0.17 -2.11 0.03 0.00 -1.43 0.00 0.00 32.58 28.90 3dr6 s HIS 83 CO 0.07 -0.01 -0.00 -1.54 -2.00 0.00 0.00 174.74 171.25 3dr6 s SER 84 N -3.79 1.34 -0.13 7.38 1.04 0.42 -4.77 113.70 115.18 3dr6 s SER 84 Ca 0.44 -0.08 -0.00 0.00 0.48 0.00 0.00 55.95 56.79 3dr6 s SER 84 Cb -0.10 -0.41 0.03 0.00 0.10 0.00 0.00 66.02 65.63 3dr6 s SER 84 CO 0.37 -0.16 -0.09 -0.69 0.98 0.00 0.00 173.24 173.65 3dr6 s VAL 85 N 1.69 1.22 -0.08 5.02 1.01 -1.26 -0.67 120.40 127.33 3dr6 s VAL 85 Ca 0.01 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3dr6 s VAL 85 Cb -0.13 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.04 3dr6 s VAL 85 CO -0.04 0.36 -0.11 -0.31 0.00 0.00 0.00 175.10 175.00 3dr6 s TYR 86 N 1.62 1.52 -0.11 5.22 2.02 -0.04 -5.01 117.35 122.57 3dr6 s TYR 86 Ca 0.04 -0.64 -0.05 0.00 -0.37 0.00 0.00 57.07 56.06 3dr6 s TYR 86 Cb -0.13 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.24 3dr6 s TYR 86 CO -0.09 -0.37 0.09 0.08 -1.57 0.00 0.00 175.55 173.69 3dr6 s VAL 87 N 1.00 5.04 0.35 0.71 1.01 -1.26 -0.96 120.40 126.28 3dr6 s VAL 87 Ca -0.08 0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.65 3dr6 s VAL 87 Cb -0.15 -3.17 -0.11 0.00 0.00 0.00 0.00 36.38 32.96 3dr6 s VAL 87 CO -0.00 0.61 1.39 -2.28 0.00 0.00 0.00 175.10 174.82 3dr6 s HIS 88 N -0.95 2.83 -0.34 5.22 2.46 0.08 -4.88 115.29 119.71 3dr6 s HIS 88 Ca 0.14 1.31 0.22 0.00 0.47 0.00 0.00 55.06 57.20 3dr6 s HIS 88 Cb -0.12 -3.83 1.07 0.00 -0.13 0.00 0.00 32.58 29.57 3dr6 s HIS 88 CO 0.03 -2.37 1.67 -0.35 -2.47 0.00 0.00 174.74 171.25 3dr6 n PRO 89 N 0.62 0.16 0.00 2.88 -0.04 -1.26 -0.82 135.00 136.54 3dr6 n PRO 89 Ca 0.01 0.54 0.15 0.00 -0.04 0.00 0.00 63.50 64.16 3dr6 n PRO 89 Cb 0.41 -1.91 0.80 0.00 -0.04 0.00 0.00 33.50 32.75 3dr6 n PRO 89 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dr6 n ALA 90 N -1.77 2.66 -1.74 0.55 0.00 -1.26 -4.26 120.51 114.69 3dr6 n ALA 90 Ca 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 53.44 53.21 3dr6 n ALA 90 Cb 0.12 -1.41 0.05 0.00 0.00 0.00 0.00 19.45 18.21 3dr6 n ALA 90 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3dr6 n HIS 91 N -0.70 0.00 -3.15 0.00 8.25 -0.00 -5.09 115.22 114.53 3dr6 n HIS 91 Ca 0.21 -0.35 -0.20 0.00 -0.26 0.00 0.00 57.72 57.12 3dr6 n HIS 91 Cb 0.20 -0.09 0.04 0.00 1.12 0.00 0.00 29.99 31.26 3dr6 n HIS 91 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3dr6 s GLN 92 N -0.93 2.41 -0.16 -0.41 2.00 -1.24 -4.23 119.66 117.10 3dr6 s GLN 92 Ca 0.12 -1.60 0.00 0.00 -2.00 0.00 0.00 55.36 51.88 3dr6 s GLN 92 Cb 0.11 -2.60 0.00 0.00 0.80 0.00 0.00 33.01 31.32 3dr6 s GLN 92 CO -0.00 -0.69 0.00 0.41 -0.50 0.00 0.00 175.29 174.51 3dr6 n GLY 93 N -2.09 0.50 0.33 2.59 0.00 -1.26 -4.89 105.19 100.36 3dr6 n GLY 93 Ca 0.12 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.92 3dr6 n GLY 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dr6 n LYS 94 N -2.28 1.88 -1.19 1.61 5.02 -1.26 -5.00 118.16 116.94 3dr6 n LYS 94 Ca -0.02 -1.49 -0.06 0.00 -2.02 0.00 0.00 58.31 54.72 3dr6 n LYS 94 Cb 0.13 -1.14 -0.03 0.00 -0.02 0.00 0.00 35.03 33.97 3dr6 n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dr6 n GLY 95 N 0.17 0.86 0.28 0.72 0.00 -1.26 -4.92 105.19 101.03 3dr6 n GLY 95 Ca 0.06 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 3dr6 n GLY 95 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dr6 h LEU 96 N 0.00 1.01 -0.54 0.99 3.38 -1.94 -2.88 115.31 115.33 3dr6 h LEU 96 Ca -0.13 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 57.52 3dr6 h LEU 96 Cb 0.51 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.91 3dr6 h LEU 96 CO 0.19 1.20 0.10 1.23 0.09 0.00 0.00 178.44 181.26 3dr6 h GLY 97 N 0.81 0.66 1.03 0.83 0.00 -1.94 0.00 103.07 104.46 3dr6 h GLY 97 Ca 0.10 -0.02 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 3dr6 h GLY 97 CO 0.07 -0.09 -0.15 -0.09 0.00 0.00 0.00 176.54 176.28 3dr6 h ARG 98 N 0.23 0.85 -0.47 4.80 2.43 -1.96 -0.55 114.38 119.72 3dr6 h ARG 98 Ca 0.27 -0.35 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3dr6 h ARG 98 Cb 0.39 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3dr6 h ARG 98 CO -0.36 0.99 0.20 0.87 -1.51 0.00 0.00 179.97 180.15 3dr6 h LYS 99 N 0.68 0.70 -0.26 0.20 1.57 -1.24 -0.16 116.57 118.05 3dr6 h LYS 99 Ca 0.10 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3dr6 h LYS 99 Cb 0.70 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 3dr6 h LYS 99 CO 0.05 0.62 0.09 -0.07 -0.57 0.00 0.00 179.45 179.57 3dr6 h LEU 100 N 0.62 0.09 -0.72 2.94 3.38 -0.92 -2.36 115.31 118.35 3dr6 h LEU 100 Ca 0.16 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 3dr6 h LEU 100 Cb 0.18 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3dr6 h LEU 100 CO -0.01 0.09 0.26 0.25 0.09 0.00 0.00 178.44 179.12 3dr6 h LEU 101 N 0.20 1.02 -0.83 1.67 5.85 -0.82 -0.58 115.31 121.83 3dr6 h LEU 101 Ca 0.11 -0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.52 3dr6 h LEU 101 Cb 0.08 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3dr6 h LEU 101 CO -0.12 0.93 -0.53 0.77 -0.34 0.00 0.00 178.44 179.16 3dr6 h SER 102 N 1.05 0.17 -0.48 1.25 4.64 -0.94 -1.28 113.55 117.96 3dr6 h SER 102 Ca 0.24 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.42 3dr6 h SER 102 Cb 0.25 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 3dr6 h SER 102 CO -0.01 0.67 0.07 -0.09 -0.87 0.00 0.00 176.83 176.59 3dr6 h ARG 103 N 0.12 0.79 -0.70 4.77 9.65 -1.19 -3.07 114.38 124.76 3dr6 h ARG 103 Ca 0.00 -0.22 0.08 0.00 -1.10 0.00 0.00 59.98 58.74 3dr6 h ARG 103 Cb 0.98 -0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 29.40 3dr6 h ARG 103 CO 0.08 0.80 0.38 1.25 2.80 0.00 0.00 179.97 185.28 3dr6 h LEU 104 N 0.66 0.53 -0.92 3.80 5.85 -0.69 -2.02 115.31 122.53 3dr6 h LEU 104 Ca 0.14 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.93 3dr6 h LEU 104 Cb 0.40 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 3dr6 h LEU 104 CO 0.01 0.32 0.60 0.40 -0.34 0.00 0.00 178.44 179.44 3dr6 h ILE 105 N 0.67 1.19 -0.63 4.05 2.04 -1.23 0.71 117.51 124.31 3dr6 h ILE 105 Ca 0.33 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3dr6 h ILE 105 Cb 0.28 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.21 3dr6 h ILE 105 CO -0.22 0.22 0.41 0.44 0.00 0.00 0.00 178.15 178.99 3dr6 h ASP 106 N 1.20 0.74 -0.47 1.72 3.32 -1.29 -1.70 116.42 119.95 3dr6 h ASP 106 Ca 0.35 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.28 3dr6 h ASP 106 Cb -0.07 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3dr6 h ASP 106 CO -0.10 0.55 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.60 3dr6 h GLU 107 N 0.86 0.91 -0.73 3.56 4.39 -0.70 -2.40 114.58 120.48 3dr6 h GLU 107 Ca 0.23 -0.29 0.02 0.00 0.34 0.00 0.00 59.36 59.66 3dr6 h GLU 107 Cb -0.07 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.45 3dr6 h GLU 107 CO -0.05 0.94 0.47 0.00 -1.16 0.00 0.00 179.01 179.21 3dr6 h ALA 108 N 1.11 0.94 -0.88 3.43 0.00 -0.44 -2.17 119.26 121.24 3dr6 h ALA 108 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3dr6 h ALA 108 Cb 0.56 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3dr6 h ALA 108 CO 0.03 0.28 0.50 0.00 0.00 0.00 0.00 179.25 180.07 3dr6 h ARG 109 N 0.93 1.22 0.00 0.00 3.08 -1.00 -1.21 114.38 117.41 3dr6 h ARG 109 Ca 0.28 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 3dr6 h ARG 109 Cb -0.04 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.77 3dr6 h ARG 109 CO -0.09 0.88 -0.03 0.00 -1.07 0.00 0.00 179.97 179.66 3dr6 h ARG 110 N 1.23 0.00 -0.19 0.04 3.08 -0.92 -0.25 114.38 117.37 3dr6 h ARG 110 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3dr6 h ARG 110 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3dr6 h ARG 110 CO -0.05 0.03 0.00 0.00 -1.07 0.00 0.00 179.97 178.88 3dr6 n GLY 112 N 1.21 1.01 3.77 0.00 0.00 -0.11 -5.00 105.19 106.07 3dr6 n GLY 112 Ca 0.17 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 3dr6 n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dr6 s LYS 113 N -2.52 4.08 -0.16 1.61 -0.14 -0.53 -4.95 119.74 117.13 3dr6 s LYS 113 Ca 0.00 2.01 0.16 0.00 -1.36 0.00 0.00 55.97 56.78 3dr6 s LYS 113 Cb 0.00 -2.78 -0.24 0.00 -1.68 0.00 0.00 37.83 33.13 3dr6 s LYS 113 CO 0.00 -0.34 0.22 1.58 -0.76 0.00 0.00 175.35 176.04 3dr6 n HIS 114 N 0.24 0.27 -2.99 3.18 -0.00 0.18 -4.62 115.22 111.48 3dr6 n HIS 114 Ca 0.03 0.10 0.00 0.00 0.46 0.00 0.00 57.72 58.31 3dr6 n HIS 114 Cb 0.45 -1.05 0.00 0.00 -0.12 0.00 0.00 29.99 29.27 3dr6 n HIS 114 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3dr6 n VAL 115 N -2.85 0.00 -3.64 3.57 0.31 -0.96 -0.51 118.33 114.26 3dr6 n VAL 115 Ca -0.29 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 63.95 3dr6 n VAL 115 Cb 1.13 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.99 3dr6 n VAL 115 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3dr6 s VAL 117 N -0.97 0.00 -0.11 2.52 1.01 0.77 -1.88 120.40 121.74 3dr6 s VAL 117 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3dr6 s VAL 117 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3dr6 s VAL 117 CO 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 175.10 174.98 3dr6 s ALA 118 N 0.27 2.71 -0.27 5.51 0.00 -1.26 -2.26 121.76 126.46 3dr6 s ALA 118 Ca 0.03 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 3dr6 s ALA 118 Cb -0.05 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 3dr6 s ALA 118 CO -0.06 0.36 0.11 0.20 0.00 0.00 0.00 175.76 176.36 3dr6 s GLY 119 N -0.04 1.82 -0.04 0.00 0.00 -1.26 -4.23 107.32 103.56 3dr6 s GLY 119 Ca -0.02 -1.18 0.02 0.00 0.00 0.00 0.00 44.72 43.54 3dr6 s GLY 119 CO 0.04 0.59 -0.09 -0.42 0.00 0.00 0.00 173.10 173.22 3dr6 s ILE 120 N 1.64 0.84 0.24 0.90 1.01 0.22 -4.98 121.20 121.06 3dr6 s ILE 120 Ca 0.06 -0.34 -0.31 0.00 0.00 0.00 0.00 60.65 60.05 3dr6 s ILE 120 Cb -0.16 -0.77 -0.12 0.00 0.01 0.00 0.00 42.46 41.42 3dr6 s ILE 120 CO 0.05 0.28 1.62 1.21 0.00 0.00 0.00 174.94 178.10 3dr6 n GLU 121 N 3.61 2.57 0.29 2.79 2.13 -1.26 0.10 120.64 130.87 3dr6 n GLU 121 Ca -0.21 0.92 0.15 0.00 0.66 0.00 0.00 57.16 58.68 3dr6 n GLU 121 Cb 0.53 -2.71 0.85 0.00 0.27 0.00 0.00 31.44 30.38 3dr6 n GLU 121 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 3dr6 h SER 122 N 5.60 0.00 0.49 4.31 0.02 -1.62 -1.09 113.55 121.25 3dr6 h SER 122 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3dr6 h SER 122 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 3dr6 h SER 122 CO 0.86 0.06 -0.16 0.00 -1.14 0.00 0.00 176.83 176.45 3dr6 n GLN 123 N -3.59 0.47 -2.32 3.45 3.00 -1.26 -4.61 117.38 112.52 3dr6 n GLN 123 Ca -0.02 -0.17 -0.43 0.00 -0.01 0.00 0.00 57.00 56.37 3dr6 n GLN 123 Cb 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.91 3dr6 n GLN 123 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3dr6 n ASN 124 N -1.12 4.61 -0.21 1.08 2.85 -0.42 -4.79 115.26 117.27 3dr6 n ASN 124 Ca 0.12 -2.90 0.01 0.00 -0.11 0.00 0.00 54.58 51.70 3dr6 n ASN 124 Cb 0.30 -1.71 0.26 0.00 1.24 0.00 0.00 39.78 39.87 3dr6 n ASN 124 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3dr6 h ALA 125 N 7.02 1.50 -0.52 5.20 0.00 -1.86 -1.98 119.26 128.61 3dr6 h ALA 125 Ca 0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 3dr6 h ALA 125 Cb 0.79 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3dr6 h ALA 125 CO 1.59 0.46 0.27 0.00 0.00 0.00 0.00 179.25 181.57 3dr6 h ALA 126 N 1.55 0.67 -0.62 0.00 0.00 -1.99 -0.69 119.26 118.17 3dr6 h ALA 126 Ca 0.28 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3dr6 h ALA 126 Cb -0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3dr6 h ALA 126 CO -0.07 0.20 0.02 1.03 0.00 0.00 0.00 179.25 180.43 3dr6 h SER 127 N 0.69 1.06 -0.50 0.00 0.87 -1.88 -1.65 113.55 112.15 3dr6 h SER 127 Ca 0.18 -0.30 0.02 0.00 -1.23 0.00 0.00 61.79 60.47 3dr6 h SER 127 Cb 0.07 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.72 3dr6 h SER 127 CO -0.03 1.10 0.29 0.40 -0.53 0.00 0.00 176.83 178.07 3dr6 h ILE 128 N 0.99 1.04 -0.51 2.23 2.04 -1.06 -0.42 117.51 121.82 3dr6 h ILE 128 Ca 0.18 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 3dr6 h ILE 128 Cb 0.54 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3dr6 h ILE 128 CO 0.03 0.11 0.31 -0.09 0.00 0.00 0.00 178.15 178.51 3dr6 h ARG 129 N 0.59 0.70 -0.36 2.37 2.43 -0.98 -0.53 114.38 118.60 3dr6 h ARG 129 Ca 0.20 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3dr6 h ARG 129 Cb 0.03 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3dr6 h ARG 129 CO -0.09 0.51 0.21 1.25 -1.51 0.00 0.00 179.97 180.34 3dr6 h LEU 130 N 0.69 0.44 -0.49 3.80 6.46 -1.00 -1.59 115.31 123.63 3dr6 h LEU 130 Ca 0.18 -0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.82 3dr6 h LEU 130 Cb -0.01 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 3dr6 h LEU 130 CO -0.03 0.37 0.06 0.45 -0.62 0.00 0.00 178.44 178.66 3dr6 h HIS 131 N 0.47 0.88 -0.90 1.25 3.86 -0.85 -2.71 115.15 117.15 3dr6 h HIS 131 Ca 0.13 -0.13 0.12 0.00 -1.16 0.00 0.00 60.37 59.33 3dr6 h HIS 131 Cb 0.02 -0.24 -0.07 0.00 1.06 0.00 0.00 27.41 28.18 3dr6 h HIS 131 CO -0.04 0.82 0.58 0.45 0.86 0.00 0.00 177.93 180.60 3dr6 h HIS 132 N 0.69 0.91 0.00 2.45 3.86 -0.86 -1.19 115.15 121.00 3dr6 h HIS 132 Ca 0.14 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3dr6 h HIS 132 Cb 0.43 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3dr6 h HIS 132 CO 0.03 0.38 0.00 -1.13 0.86 0.00 0.00 177.93 178.07 3dr6 n SER 133 N -4.55 0.51 -0.88 2.45 3.41 -0.62 -1.30 113.62 112.65 3dr6 n SER 133 Ca 0.16 0.63 0.07 0.00 -0.26 0.00 0.00 58.87 59.48 3dr6 n SER 133 Cb 0.38 -0.74 0.21 0.00 -0.26 0.00 0.00 64.21 63.81 3dr6 n SER 133 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dr6 n LEU 134 N -2.07 3.32 0.00 1.04 4.77 -0.54 -4.97 117.00 118.54 3dr6 n LEU 134 Ca 0.02 -2.06 0.00 0.00 -0.03 0.00 0.00 56.01 53.94 3dr6 n LEU 134 Cb 0.20 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3dr6 n LEU 134 CO 0.18 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 3dr6 n GLY 135 N 0.80 0.73 3.77 -0.72 0.00 -0.42 -5.05 105.19 104.30 3dr6 n GLY 135 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3dr6 n GLY 135 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dr6 s PHE 136 N -2.43 2.66 0.11 1.61 0.40 -0.66 -4.79 117.98 114.89 3dr6 s PHE 136 Ca 0.00 1.53 0.08 0.00 -0.60 0.00 0.00 56.93 57.94 3dr6 s PHE 136 Cb 0.00 -3.34 -0.04 0.00 0.51 0.00 0.00 43.02 40.15 3dr6 s PHE 136 CO 0.00 -1.67 -0.19 0.95 0.70 0.00 0.00 175.22 175.00 3dr6 s THR 137 N -1.69 1.66 -0.14 0.64 -4.23 -0.40 -4.18 115.64 107.30 3dr6 s THR 137 Ca 0.72 -1.60 -0.29 0.00 -1.18 0.00 0.00 61.69 59.33 3dr6 s THR 137 Cb -0.26 -1.56 -0.02 0.00 1.34 0.00 0.00 72.50 72.00 3dr6 s THR 137 CO 0.30 -0.14 1.28 -0.69 -0.54 0.00 0.00 174.62 174.83 3dr6 s VAL 138 N -1.38 4.21 0.00 2.29 1.01 -1.26 -0.68 120.40 124.60 3dr6 s VAL 138 Ca 0.07 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.54 3dr6 s VAL 138 Cb -0.09 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3dr6 s VAL 138 CO 0.04 -0.11 0.28 0.35 0.00 0.00 0.00 175.10 175.66 3dr6 n THR 139 N 5.24 0.00 -3.80 3.92 -2.24 -0.16 -4.96 114.28 112.27 3dr6 n THR 139 Ca 0.14 -0.42 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 3dr6 n THR 139 Cb 0.45 1.10 -0.11 0.00 -2.10 0.00 0.00 70.33 69.66 3dr6 n THR 139 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dr6 s ALA 140 N -0.30 -0.58 0.07 6.98 0.00 -0.93 -4.92 121.76 122.08 3dr6 s ALA 140 Ca 0.00 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.51 3dr6 s ALA 140 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 3dr6 s ALA 140 CO 0.00 -0.14 -0.06 -0.65 0.00 0.00 0.00 175.76 174.91 3dr6 s GLN 141 N -0.21 0.65 -0.09 0.00 -0.21 -1.26 -1.48 119.66 117.07 3dr6 s GLN 141 Ca -0.03 -1.07 -0.09 0.00 0.02 0.00 0.00 55.36 54.18 3dr6 s GLN 141 Cb -0.03 -0.13 0.02 0.00 1.00 0.00 0.00 33.01 33.88 3dr6 s GLN 141 CO 0.01 -0.02 0.25 -1.25 -2.12 0.00 0.00 175.29 172.16 3dr6 s PRO 143 N -2.95 0.31 -2.02 2.91 0.05 -1.26 -4.98 135.00 127.06 3dr6 s PRO 143 Ca 0.02 0.32 0.00 0.00 0.05 0.00 0.00 61.00 61.38 3dr6 s PRO 143 Cb -0.00 0.15 0.00 0.00 0.05 0.00 0.00 34.50 34.70 3dr6 s PRO 143 CO -0.04 -0.04 0.00 1.04 0.05 0.00 0.00 177.00 178.01 3dr6 n GLN 144 N 2.86 -1.56 0.18 4.56 6.02 -0.97 -4.86 117.38 123.60 3dr6 n GLN 144 Ca -0.13 1.13 0.12 0.00 -0.01 0.00 0.00 57.00 58.11 3dr6 n GLN 144 Cb 0.58 -5.66 0.19 0.00 1.02 0.00 0.00 30.24 26.37 3dr6 n GLN 144 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 3dr6 h VAL 145 N 0.00 0.00 -1.65 5.09 -1.51 -1.78 -3.44 116.25 112.97 3dr6 h VAL 145 Ca -0.46 -0.90 -0.59 0.00 -1.23 0.00 0.00 66.70 63.52 3dr6 h VAL 145 Cb 1.37 1.83 -0.10 0.00 -2.13 0.00 0.00 31.29 32.25 3dr6 h VAL 145 CO 0.61 0.00 -0.55 -0.83 -1.23 0.00 0.00 177.57 175.57 3dr6 s GLY 146 N -4.11 2.39 -0.13 5.19 0.00 -0.75 -4.98 107.32 104.93 3dr6 s GLY 146 Ca 0.07 -2.18 -0.09 0.00 0.00 0.00 0.00 44.72 42.52 3dr6 s GLY 146 CO 0.67 -1.99 0.33 0.54 0.00 0.00 0.00 173.10 172.65 3dr6 s VAL 147 N -2.64 -0.02 -0.09 1.40 0.11 -1.26 0.13 120.40 118.03 3dr6 s VAL 147 Ca 0.38 0.08 -0.31 0.00 -2.93 0.00 0.00 61.98 59.21 3dr6 s VAL 147 Cb 0.06 -0.49 0.09 0.00 -1.53 0.00 0.00 36.38 34.52 3dr6 s VAL 147 CO 0.20 0.03 0.80 -0.75 -3.33 0.00 0.00 175.10 172.06 3dr6 s LYS 148 N 0.96 0.88 -1.36 1.54 2.20 -0.90 -4.95 119.74 118.11 3dr6 s LYS 148 Ca -0.06 0.20 -0.05 0.00 -0.36 0.00 0.00 55.97 55.70 3dr6 s LYS 148 Cb -0.07 0.42 0.03 0.00 -1.51 0.00 0.00 37.83 36.69 3dr6 s LYS 148 CO -0.07 -0.28 0.35 1.19 -0.36 0.00 0.00 175.35 176.19 3dr6 n PHE 149 N 0.81 -1.67 -0.90 4.03 3.72 -1.26 -1.80 117.46 120.39 3dr6 n PHE 149 Ca -0.16 0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 3dr6 n PHE 149 Cb 0.57 -3.49 0.00 0.00 -0.94 0.00 0.00 39.48 35.63 3dr6 n PHE 149 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dr6 n GLY 150 N -1.18 0.58 3.13 1.37 0.00 -1.26 -5.03 105.19 102.80 3dr6 n GLY 150 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 3dr6 n GLY 150 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dr6 s ARG 151 N -0.10 0.77 0.29 1.61 1.70 -0.75 -5.13 118.95 117.34 3dr6 s ARG 151 Ca 0.00 -0.82 -0.29 0.00 -0.47 0.00 0.00 55.73 54.15 3dr6 s ARG 151 Cb 0.00 -0.72 -0.10 0.00 -0.57 0.00 0.00 34.95 33.56 3dr6 s ARG 151 CO 0.00 0.16 1.18 -1.58 -1.08 0.00 0.00 175.30 173.99 3dr6 s TRP 152 N -1.13 3.37 -0.01 5.89 0.52 -1.26 -2.12 118.94 124.21 3dr6 s TRP 152 Ca -0.03 1.57 0.04 0.00 0.02 0.00 0.00 56.10 57.71 3dr6 s TRP 152 Cb -0.09 -3.44 -0.03 0.00 -1.15 0.00 0.00 33.47 28.76 3dr6 s TRP 152 CO 0.01 -1.08 -0.12 -0.51 0.02 0.00 0.00 176.95 175.27 3dr6 s LEU 153 N -1.49 2.90 -0.05 2.99 1.43 0.12 -4.85 118.68 119.72 3dr6 s LEU 153 Ca 0.47 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.25 3dr6 s LEU 153 Cb -0.35 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 3dr6 s LEU 153 CO 0.45 0.30 0.25 -1.81 0.23 0.00 0.00 176.35 175.77 3dr6 s ASP 154 N -1.20 6.54 -0.12 2.29 1.01 -1.26 -1.81 116.67 122.12 3dr6 s ASP 154 Ca 0.15 0.63 0.00 0.00 0.71 0.00 0.00 52.55 54.04 3dr6 s ASP 154 Cb -0.11 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.68 3dr6 s ASP 154 CO 0.05 0.35 -0.12 -0.22 0.21 0.00 0.00 175.17 175.43 3dr6 s LEU 155 N -1.22 2.80 -0.15 1.23 2.96 -1.26 -1.63 118.68 121.39 3dr6 s LEU 155 Ca 0.21 -0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 53.79 3dr6 s LEU 155 Cb -0.14 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 3dr6 s LEU 155 CO 0.10 0.20 0.01 -0.89 -1.32 0.00 0.00 176.35 174.45 3dr6 s THR 156 N 0.14 4.36 0.43 3.68 2.01 0.11 -4.08 115.64 122.29 3dr6 s THR 156 Ca -0.06 -0.20 0.07 0.00 0.31 0.00 0.00 61.69 61.81 3dr6 s THR 156 Cb -0.15 -2.92 0.07 0.00 0.01 0.00 0.00 72.50 69.51 3dr6 s THR 156 CO 0.04 0.50 0.57 0.49 -0.69 0.00 0.00 174.62 175.54 3dr6 n PHE 157 N 3.26 -2.35 -3.65 4.92 0.99 -0.55 -0.61 117.46 119.47 3dr6 n PHE 157 Ca -0.17 -1.58 -0.02 0.00 -0.00 0.00 0.00 57.45 55.68 3dr6 n PHE 157 Cb 0.53 -0.40 -0.02 0.00 -1.00 0.00 0.00 39.48 38.58 3dr6 n PHE 157 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.76 177.90 3dr6 s GLN 159 N -3.92 0.00 -0.07 -1.08 -2.07 0.15 -0.99 119.66 111.68 3dr6 s GLN 159 Ca 0.43 -0.00 -0.01 0.00 -1.82 0.00 0.00 55.36 53.96 3dr6 s GLN 159 Cb -0.03 0.00 0.03 0.00 -1.09 0.00 0.00 33.01 31.92 3dr6 s GLN 159 CO 0.28 -0.00 -0.00 -1.17 -1.32 0.00 0.00 175.29 173.07 3dr6 s LEU 160 N -1.78 0.63 0.03 2.60 2.96 -1.26 -1.28 118.68 120.58 3dr6 s LEU 160 Ca 0.11 -0.10 -0.30 0.00 -0.22 0.00 0.00 54.13 53.63 3dr6 s LEU 160 Cb -0.01 -0.47 -0.04 0.00 0.50 0.00 0.00 46.19 46.18 3dr6 s LEU 160 CO -0.04 -0.19 0.98 -1.58 -1.32 0.00 0.00 176.35 174.20 3dr6 s GLN 161 N 1.95 4.59 0.03 1.98 0.74 -1.26 -4.34 119.66 123.36 3dr6 s GLN 161 Ca 0.05 1.43 0.23 0.00 0.05 0.00 0.00 55.36 57.12 3dr6 s GLN 161 Cb -0.12 -3.44 0.04 0.00 1.10 0.00 0.00 33.01 30.59 3dr6 s GLN 161 CO -0.05 0.01 1.03 1.28 -0.55 0.00 0.00 175.29 177.00 3dr6 n LEU 162 N 3.62 0.64 -3.64 3.68 4.77 0.34 -4.98 117.00 121.42 3dr6 n LEU 162 Ca 0.05 -0.10 -0.07 0.00 -0.03 0.00 0.00 56.01 55.86 3dr6 n LEU 162 Cb 0.50 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 3dr6 n LEU 162 CO 0.52 0.09 0.58 1.51 -1.33 0.00 0.00 177.39 178.75 3dr6 s ASP 163 N -3.69 -0.33 -0.21 -1.43 1.47 -1.26 -5.02 116.67 106.20 3dr6 s ASP 163 Ca 0.05 -0.27 0.13 0.00 1.18 0.00 0.00 52.55 53.65 3dr6 s ASP 163 Cb 0.15 0.55 0.44 0.00 -0.34 0.00 0.00 42.92 43.72 3dr6 s ASP 163 CO 0.81 -0.96 1.32 -0.62 0.68 0.00 0.00 175.17 176.39 3dr6 n GLU 164 N -0.39 1.85 -1.73 2.11 1.02 -1.26 -5.05 120.64 117.19 3dr6 n GLU 164 Ca -0.09 -3.00 -0.31 0.00 -0.02 0.00 0.00 57.16 53.74 3dr6 n GLU 164 Cb 0.62 -1.70 0.05 0.00 -0.02 0.00 0.00 31.44 30.39 3dr6 n GLU 164 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3dr6 s HIS 165 N -3.08 3.25 0.81 -0.32 3.76 -1.26 -5.04 115.29 113.41 3dr6 s HIS 165 Ca 0.39 1.23 -0.12 0.00 -0.15 0.00 0.00 55.06 56.42 3dr6 s HIS 165 Cb 0.35 -2.94 0.09 0.00 1.11 0.00 0.00 32.58 31.19 3dr6 s HIS 165 CO 0.01 -1.19 1.15 0.00 -0.85 0.00 0.00 174.74 173.86 3dr6 s ALA 166 N -3.19 1.89 0.73 -1.40 0.00 -1.26 -5.03 121.76 113.50 3dr6 s ALA 166 Ca 0.58 0.62 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 3dr6 s ALA 166 Cb -0.12 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.61 3dr6 s ALA 166 CO 0.54 -2.21 1.08 0.00 0.00 0.00 0.00 175.76 175.17 3dr6 s ALA 167 N -2.48 2.47 0.82 0.00 0.00 -1.26 -5.03 121.76 116.29 3dr6 s ALA 167 Ca 0.68 0.20 -0.13 0.00 0.00 0.00 0.00 51.96 52.70 3dr6 s ALA 167 Cb -0.23 -3.23 0.09 0.00 0.00 0.00 0.00 23.12 19.74 3dr6 s ALA 167 CO 0.53 -1.48 1.19 -2.30 0.00 0.00 0.00 175.76 173.70 3dr6 n PRO 168 N -3.27 0.12 -1.71 0.00 -0.02 -1.26 -4.93 135.00 123.94 3dr6 n PRO 168 Ca 0.08 0.12 -0.38 0.00 -2.02 0.00 0.00 63.50 61.30 3dr6 n PRO 168 Cb 0.53 -2.42 0.05 0.00 -0.02 0.00 0.00 33.50 31.63 3dr6 n PRO 168 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3dr6 n ASP 169 N -3.32 2.18 0.00 2.55 9.92 -1.26 -5.32 116.55 121.31 3dr6 n ASP 169 Ca 0.13 0.93 0.00 0.00 -0.53 0.00 0.00 54.79 55.32 3dr6 n ASP 169 Cb 0.51 -1.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.46 3dr6 n ASP 169 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33