#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dr6 n THR 2 N 0.00 0.00 -5.09 0.00 -2.24 -0.64 -4.17 114.28 102.15 3dr6 n THR 2 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 3dr6 n THR 2 Cb 0.00 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.06 3dr6 n THR 2 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3dr6 s ILE 3 N -2.00 1.84 0.17 2.28 1.01 -1.26 -0.71 121.20 122.53 3dr6 s ILE 3 Ca 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 3dr6 s ILE 3 Cb 0.00 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 3dr6 s ILE 3 CO 0.00 0.51 0.20 0.00 0.00 0.00 0.00 174.94 175.66 3dr6 s ARG 4 N 0.17 1.15 0.35 2.79 1.70 -0.53 -4.99 118.95 119.58 3dr6 s ARG 4 Ca -0.11 -1.37 -0.28 0.00 -0.47 0.00 0.00 55.73 53.50 3dr6 s ARG 4 Cb -0.15 0.32 -0.10 0.00 -0.57 0.00 0.00 34.95 34.45 3dr6 s ARG 4 CO 0.05 -0.39 1.34 -0.06 -1.08 0.00 0.00 175.30 175.16 3dr6 s PHE 5 N -4.04 2.93 0.69 5.89 0.08 -1.26 -0.87 117.98 121.40 3dr6 s PHE 5 Ca 0.25 1.37 -0.14 0.00 0.12 0.00 0.00 56.93 58.53 3dr6 s PHE 5 Cb 0.05 -3.74 0.01 0.00 -0.57 0.00 0.00 43.02 38.77 3dr6 s PHE 5 CO 0.04 -2.10 1.10 0.00 -0.10 0.00 0.00 175.22 174.17 3dr6 s ALA 6 N -1.15 2.44 0.45 5.36 0.00 0.26 -4.74 121.76 124.38 3dr6 s ALA 6 Ca 0.51 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.93 3dr6 s ALA 6 Cb -0.41 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.41 3dr6 s ALA 6 CO 0.54 -1.38 0.11 0.16 0.00 0.00 0.00 175.76 175.19 3dr6 s ASP 7 N -2.89 3.25 0.47 0.00 1.47 -1.26 -4.95 116.67 112.76 3dr6 s ASP 7 Ca 0.65 -1.73 0.20 0.00 1.18 0.00 0.00 52.55 52.85 3dr6 s ASP 7 Cb -0.19 0.63 1.17 0.00 -0.34 0.00 0.00 42.92 44.20 3dr6 s ASP 7 CO 0.46 -0.98 2.01 0.11 0.68 0.00 0.00 175.17 177.45 3dr6 h LYS 8 N 1.60 0.00 0.00 2.11 1.57 -2.02 -1.45 116.57 118.38 3dr6 h LYS 8 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3dr6 h LYS 8 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3dr6 h LYS 8 CO 0.59 0.18 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 3dr6 h ALA 9 N 1.82 1.00 0.00 3.86 0.00 -2.03 -1.93 119.26 121.98 3dr6 h ALA 9 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dr6 h ALA 9 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3dr6 h ALA 9 CO 0.02 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.02 3dr6 n ASP 10 N -3.00 0.00 -0.08 0.00 8.00 -0.54 -4.31 116.55 116.62 3dr6 n ASP 10 Ca -0.01 -0.01 -0.07 0.00 0.71 0.00 0.00 54.79 55.42 3dr6 n ASP 10 Cb 0.18 -0.31 -0.00 0.00 -0.02 0.00 0.00 41.12 40.96 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 1.08 0.36 -0.44 0.00 0.00 -1.83 0.13 119.26 118.55 3dr6 h ALA 12 Ca 0.16 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3dr6 h ALA 12 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3dr6 h ALA 12 CO -0.39 -0.28 0.25 0.00 0.00 0.00 0.00 179.25 178.83 3dr6 h ALA 13 N 1.19 0.57 -0.40 0.00 0.00 -1.76 -2.54 119.26 116.32 3dr6 h ALA 13 Ca 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dr6 h ALA 13 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3dr6 h ALA 13 CO -0.13 0.08 0.23 0.82 0.00 0.00 0.00 179.25 180.26 3dr6 h ILE 14 N 0.58 1.13 -0.43 0.00 2.04 -0.78 -2.46 117.51 117.59 3dr6 h ILE 14 Ca 0.16 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 65.77 3dr6 h ILE 14 Cb 0.04 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 3dr6 h ILE 14 CO -0.03 0.14 0.07 0.74 0.00 0.00 0.00 178.15 179.07 3dr6 h THR 15 N 0.52 0.75 0.00 -0.27 2.02 -0.55 -0.29 112.91 115.08 3dr6 h THR 15 Ca 0.14 -0.07 -0.14 0.00 0.77 0.00 0.00 66.41 67.12 3dr6 h THR 15 Cb 0.01 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 3dr6 h THR 15 CO -0.03 0.04 -0.65 1.05 0.37 0.00 0.00 175.52 176.30 3dr6 h GLU 16 N 0.20 0.00 -0.29 6.66 4.11 -1.37 -0.71 114.58 123.17 3dr6 h GLU 16 Ca 0.21 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.58 3dr6 h GLU 16 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3dr6 h GLU 16 CO -0.29 0.65 -0.06 0.82 0.07 0.00 0.00 179.01 180.20 3dr6 h ILE 17 N 0.00 1.28 -0.37 -1.06 2.04 -0.92 -0.75 117.51 117.73 3dr6 h ILE 17 Ca -0.01 -1.07 0.06 0.00 1.00 0.00 0.00 64.86 64.84 3dr6 h ILE 17 Cb 1.18 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 38.59 3dr6 h ILE 17 CO 0.08 0.34 0.03 0.22 0.00 0.00 0.00 178.15 178.83 3dr6 h TYR 18 N 0.32 0.04 -0.81 1.37 3.20 -0.93 -1.81 116.97 118.35 3dr6 h TYR 18 Ca 0.08 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 3dr6 h TYR 18 Cb 0.53 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 3dr6 h TYR 18 CO 0.05 -0.04 0.34 -0.91 -1.64 0.00 0.00 178.16 175.96 3dr6 h ASN 19 N 0.14 1.10 -0.40 -2.11 2.35 -0.86 0.35 115.58 116.15 3dr6 h ASN 19 Ca 0.18 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3dr6 h ASN 19 Cb 0.24 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3dr6 h ASN 19 CO -0.28 0.96 0.26 -0.74 -1.65 0.00 0.00 177.43 175.98 3dr6 h HIS 20 N 1.17 0.48 -0.66 1.19 2.76 -0.87 -1.50 115.15 117.72 3dr6 h HIS 20 Ca 0.27 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.47 3dr6 h HIS 20 Cb 0.19 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 28.95 3dr6 h HIS 20 CO 0.02 0.30 0.43 0.00 -1.30 0.00 0.00 177.93 177.38 3dr6 h ALA 21 N 1.16 0.85 -0.28 5.26 0.00 -0.60 -2.22 119.26 123.43 3dr6 h ALA 21 Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3dr6 h ALA 21 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3dr6 h ALA 21 CO -0.04 0.23 -0.03 0.28 0.00 0.00 0.00 179.25 179.69 3dr6 h VAL 22 N 0.86 1.18 0.00 0.00 2.07 -0.54 -2.24 116.25 117.59 3dr6 h VAL 22 Ca 0.25 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3dr6 h VAL 22 Cb -0.05 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3dr6 h VAL 22 CO -0.07 0.25 -0.22 -0.07 0.02 0.00 0.00 177.57 177.48 3dr6 h LEU 23 N 0.42 0.00 0.00 2.57 3.38 -0.87 -3.41 115.31 117.40 3dr6 h LEU 23 Ca 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3dr6 h LEU 23 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3dr6 h LEU 23 CO 0.01 0.02 0.00 1.41 0.09 0.00 0.00 178.44 179.97 3dr6 n HIS 24 N -2.52 0.00 -0.03 1.13 8.25 -0.87 -5.08 115.22 116.10 3dr6 n HIS 24 Ca 0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.40 3dr6 n HIS 24 Cb 0.47 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.44 3dr6 n HIS 24 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3dr6 n THR 25 N 0.00 1.59 -0.30 1.59 -1.04 -1.25 -4.56 114.28 110.31 3dr6 n THR 25 Ca 0.00 -0.79 -0.00 0.00 -2.04 0.00 0.00 64.05 61.22 3dr6 n THR 25 Cb 0.00 -1.02 0.12 0.00 -1.82 0.00 0.00 70.33 67.62 3dr6 n THR 25 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dr6 h ALA 26 N 0.89 1.13 -2.11 2.41 0.00 -1.90 -2.50 119.26 117.18 3dr6 h ALA 26 Ca -0.35 -0.02 -0.73 0.00 0.00 0.00 0.00 54.91 53.81 3dr6 h ALA 26 Cb 2.05 -0.25 -0.33 0.00 0.00 0.00 0.00 17.79 19.26 3dr6 h ALA 26 CO 0.07 0.30 0.26 0.00 0.00 0.00 0.00 179.25 179.87 3dr6 n ALA 27 N -2.35 4.67 0.30 0.00 0.00 -0.87 -4.89 120.51 117.37 3dr6 n ALA 27 Ca 0.11 -4.77 0.17 0.00 0.00 0.00 0.00 53.44 48.94 3dr6 n ALA 27 Cb 0.14 -1.83 0.77 0.00 0.00 0.00 0.00 19.45 18.53 3dr6 n ALA 27 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3dr6 h ILE 28 N 3.41 0.00 -0.03 0.00 6.09 -1.70 -2.98 117.51 122.29 3dr6 h ILE 28 Ca 0.20 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 3dr6 h ILE 28 Cb 0.66 1.06 0.00 0.00 0.47 0.00 0.00 36.82 39.01 3dr6 h ILE 28 CO 1.12 0.00 -0.01 0.79 -3.07 0.00 0.00 178.15 176.99 3dr6 n TRP 29 N -2.75 0.00 -4.20 2.19 5.03 -1.26 -4.80 117.44 111.65 3dr6 n TRP 29 Ca -0.00 0.00 -0.19 0.00 3.03 0.00 0.00 57.50 60.34 3dr6 n TRP 29 Cb 0.18 -0.00 -0.12 0.00 -1.03 0.00 0.00 31.31 30.34 3dr6 n TRP 29 CO 0.00 0.00 0.00 -0.80 -0.03 0.00 0.00 177.69 176.86 3dr6 s ASN 30 N -2.01 1.86 0.00 -0.99 0.01 -1.13 -5.04 114.94 107.65 3dr6 s ASN 30 Ca 0.30 -0.68 0.00 0.00 -0.71 0.00 0.00 52.86 51.77 3dr6 s ASN 30 Cb 0.20 -0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.80 3dr6 s ASN 30 CO 0.31 -0.08 0.01 -0.90 -1.51 0.00 0.00 177.10 174.93 3dr6 n ASP 31 N 1.06 0.02 -4.64 -1.22 5.75 -1.26 -4.78 116.55 111.47 3dr6 n ASP 31 Ca -0.20 -0.34 -0.35 0.00 -0.01 0.00 0.00 54.79 53.90 3dr6 n ASP 31 Cb 0.55 0.62 -0.10 0.00 -1.03 0.00 0.00 41.12 41.16 3dr6 n ASP 31 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3dr6 s ARG 32 N -0.62 3.81 0.86 0.11 0.52 -1.26 -4.80 118.95 117.56 3dr6 s ARG 32 Ca 0.00 -0.35 -0.11 0.00 -0.52 0.00 0.00 55.73 54.75 3dr6 s ARG 32 Cb 0.00 -3.14 0.11 0.00 0.52 0.00 0.00 34.95 32.44 3dr6 s ARG 32 CO 0.00 0.35 1.09 0.95 0.02 0.00 0.00 175.30 177.71 3dr6 s THR 33 N 0.14 2.86 0.21 0.02 -4.23 -1.26 -5.02 115.64 108.36 3dr6 s THR 33 Ca 0.04 0.28 0.03 0.00 -1.18 0.00 0.00 61.69 60.86 3dr6 s THR 33 Cb -0.12 -2.74 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 3dr6 s THR 33 CO 0.01 -0.37 -0.02 0.68 -0.54 0.00 0.00 174.62 174.39 3dr6 s VAL 34 N -2.90 0.99 0.58 2.29 -7.23 -1.26 -5.13 120.40 107.74 3dr6 s VAL 34 Ca 0.63 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 58.82 3dr6 s VAL 34 Cb -0.18 -2.24 0.07 0.00 0.56 0.00 0.00 36.38 34.59 3dr6 s VAL 34 CO 0.57 -0.40 0.80 1.51 -0.31 0.00 0.00 175.10 177.27 3dr6 s ASP 35 N -3.27 5.03 0.34 4.85 1.47 -1.26 -4.95 116.67 118.88 3dr6 s ASP 35 Ca 0.26 -0.49 0.14 0.00 1.18 0.00 0.00 52.55 53.64 3dr6 s ASP 35 Cb 0.05 -0.17 0.58 0.00 -0.34 0.00 0.00 42.92 43.05 3dr6 s ASP 35 CO 0.07 -1.34 1.72 0.74 0.68 0.00 0.00 175.17 177.04 3dr6 h THR 36 N 0.06 1.19 -0.58 2.11 2.02 -1.96 -2.53 112.91 113.22 3dr6 h THR 36 Ca -0.36 -1.68 0.02 0.00 0.77 0.00 0.00 66.41 65.17 3dr6 h THR 36 Cb 1.28 1.94 -0.04 0.00 -1.74 0.00 0.00 68.15 69.60 3dr6 h THR 36 CO 0.43 0.46 0.36 0.44 0.37 0.00 0.00 175.52 177.58 3dr6 h ASP 37 N 0.00 0.59 -0.36 4.18 3.32 -1.98 0.29 116.42 122.46 3dr6 h ASP 37 Ca -0.00 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3dr6 h ASP 37 Cb 0.90 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 3dr6 h ASP 37 CO 0.06 0.42 0.16 -1.13 -1.72 0.00 0.00 179.24 177.03 3dr6 h ASN 38 N 0.71 0.21 0.60 6.45 -0.73 -1.85 -0.85 115.58 120.12 3dr6 h ASN 38 Ca 0.23 0.03 -0.14 0.00 1.87 0.00 0.00 56.30 58.29 3dr6 h ASN 38 Cb -0.00 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.56 3dr6 h ASN 38 CO -0.09 0.16 -0.63 0.03 -0.37 0.00 0.00 177.43 176.53 3dr6 h ARG 39 N 0.33 0.03 -0.57 6.67 2.47 -1.34 -1.39 114.38 120.58 3dr6 h ARG 39 Ca 0.16 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.87 3dr6 h ARG 39 Cb 0.10 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.39 3dr6 h ARG 39 CO -0.13 0.65 0.35 1.25 0.56 0.00 0.00 179.97 182.65 3dr6 h LEU 40 N 0.02 0.59 -0.79 3.04 7.12 -0.59 0.19 115.31 124.89 3dr6 h LEU 40 Ca -0.01 -0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.93 3dr6 h LEU 40 Cb 1.12 -0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 41.09 3dr6 h LEU 40 CO 0.08 0.42 0.16 0.00 -0.13 0.00 0.00 178.44 178.97 3dr6 h ALA 41 N 1.24 1.01 -0.40 1.25 0.00 -0.83 -0.13 119.26 121.40 3dr6 h ALA 41 Ca 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3dr6 h ALA 41 Cb -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3dr6 h ALA 41 CO -0.08 0.64 0.19 2.35 0.00 0.00 0.00 179.25 182.35 3dr6 h TRP 42 N 1.01 0.57 -0.19 0.00 7.01 -0.97 -0.83 115.95 122.56 3dr6 h TRP 42 Ca 0.21 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.20 3dr6 h TRP 42 Cb 0.36 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.22 3dr6 h TRP 42 CO 0.03 0.48 0.06 -0.92 -2.79 0.00 0.00 178.44 175.30 3dr6 h TYR 43 N 0.51 0.12 -0.68 2.65 3.20 -0.30 -1.90 116.97 120.56 3dr6 h TYR 43 Ca 0.14 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 3dr6 h TYR 43 Cb 0.12 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3dr6 h TYR 43 CO -0.01 0.06 0.40 0.93 -1.64 0.00 0.00 178.16 177.90 3dr6 h GLU 44 N 0.15 0.91 -0.52 1.82 5.08 -0.78 -1.50 114.58 119.75 3dr6 h GLU 44 Ca 0.08 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3dr6 h GLU 44 Cb 0.05 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3dr6 h GLU 44 CO -0.08 0.64 -0.04 0.00 -1.00 0.00 0.00 179.01 178.53 3dr6 h ALA 45 N 1.51 0.70 -0.32 3.43 0.00 -0.87 -1.57 119.26 122.15 3dr6 h ALA 45 Ca 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3dr6 h ALA 45 Cb -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3dr6 h ALA 45 CO -0.05 0.56 0.17 0.00 0.00 0.00 0.00 179.25 179.93 3dr6 h ARG 46 N 0.81 0.44 -0.87 0.00 2.47 -0.92 -2.78 114.38 113.52 3dr6 h ARG 46 Ca 0.14 -0.05 0.03 0.00 -1.26 0.00 0.00 59.98 58.84 3dr6 h ARG 46 Cb 0.58 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.77 3dr6 h ARG 46 CO 0.03 0.38 0.58 1.96 0.56 0.00 0.00 179.97 183.48 3dr6 h GLN 47 N 0.39 1.08 -0.48 0.04 1.08 -1.11 -0.85 115.11 115.26 3dr6 h GLN 47 Ca 0.11 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 3dr6 h GLN 47 Cb 0.06 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.23 3dr6 h GLN 47 CO -0.02 0.71 0.27 1.25 -0.95 0.00 0.00 178.83 180.09 3dr6 h LEU 48 N 1.11 0.58 0.00 1.46 5.85 -1.03 -1.09 115.31 122.20 3dr6 h LEU 48 Ca 0.34 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.03 3dr6 h LEU 48 Cb -0.01 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3dr6 h LEU 48 CO -0.10 0.47 -0.07 0.18 -0.34 0.00 0.00 178.44 178.58 3dr6 n LEU 49 N -4.42 0.30 -0.64 2.25 4.77 -0.64 -4.91 117.00 113.71 3dr6 n LEU 49 Ca 0.04 0.47 -0.07 0.00 -0.03 0.00 0.00 56.01 56.41 3dr6 n LEU 49 Cb 0.09 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 3dr6 n LEU 49 CO 0.36 -0.04 -0.08 0.61 -1.33 0.00 0.00 177.39 176.92 3dr6 n GLY 50 N 1.44 0.72 3.85 -0.72 0.00 -0.41 -5.04 105.19 105.03 3dr6 n GLY 50 Ca 0.06 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.30 3.65 0.39 1.61 2.02 -0.42 -4.97 117.35 117.33 3dr6 s TYR 51 Ca 0.00 0.90 -0.23 0.00 -0.37 0.00 0.00 57.07 57.37 3dr6 s TYR 51 Cb 0.00 -2.23 -0.10 0.00 -0.40 0.00 0.00 41.96 39.23 3dr6 s TYR 51 CO 0.00 0.57 0.98 -1.25 -1.57 0.00 0.00 175.55 174.29 3dr6 s PRO 52 N -1.51 4.29 -0.17 -1.71 0.04 -1.26 -4.23 135.00 130.46 3dr6 s PRO 52 Ca 0.29 1.32 0.01 0.00 0.04 0.00 0.00 61.00 62.65 3dr6 s PRO 52 Cb -0.15 -2.48 0.02 0.00 0.04 0.00 0.00 34.50 31.93 3dr6 s PRO 52 CO 0.16 0.01 -0.18 0.08 0.04 0.00 0.00 177.00 177.11 3dr6 s VAL 53 N -1.83 1.88 0.11 -0.36 1.01 -1.26 -3.99 120.40 115.96 3dr6 s VAL 53 Ca 0.57 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.79 3dr6 s VAL 53 Cb -0.16 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3dr6 s VAL 53 CO 0.21 0.51 -0.01 -0.76 0.00 0.00 0.00 175.10 175.04 3dr6 s LEU 54 N 1.36 3.36 0.05 3.92 1.43 0.34 -0.57 118.68 128.58 3dr6 s LEU 54 Ca 0.05 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 52.95 3dr6 s LEU 54 Cb -0.13 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 3dr6 s LEU 54 CO -0.12 0.15 -0.18 0.68 0.23 0.00 0.00 176.35 177.11 3dr6 s VAL 55 N -1.40 1.48 0.24 -1.59 -7.23 -0.05 -1.13 120.40 110.74 3dr6 s VAL 55 Ca 0.25 -1.17 -0.08 0.00 -1.81 0.00 0.00 61.98 59.18 3dr6 s VAL 55 Cb -0.11 -1.31 -0.06 0.00 0.56 0.00 0.00 36.38 35.45 3dr6 s VAL 55 CO 0.18 0.11 0.53 -0.94 -0.31 0.00 0.00 175.10 174.67 3dr6 s SER 56 N -1.25 6.55 0.01 4.85 1.04 -0.32 -1.45 113.70 123.14 3dr6 s SER 56 Ca 0.05 0.82 -0.12 0.00 0.48 0.00 0.00 55.95 57.19 3dr6 s SER 56 Cb -0.09 -2.19 0.01 0.00 0.10 0.00 0.00 66.02 63.86 3dr6 s SER 56 CO 0.02 -0.10 0.25 -0.70 0.98 0.00 0.00 173.24 173.68 3dr6 s GLU 57 N -3.03 0.66 -0.13 4.02 2.12 0.11 -0.69 118.70 121.76 3dr6 s GLU 57 Ca 0.46 -0.39 -0.04 0.00 0.36 0.00 0.00 54.97 55.36 3dr6 s GLU 57 Cb -0.11 0.28 0.07 0.00 0.26 0.00 0.00 34.13 34.63 3dr6 s GLU 57 CO 0.24 -0.18 0.24 -2.00 -0.54 0.00 0.00 175.26 173.02 3dr6 s GLU 58 N -1.81 0.13 -1.56 4.30 2.12 -0.40 -1.61 118.70 119.87 3dr6 s GLU 58 Ca -0.11 0.64 -0.11 0.00 0.36 0.00 0.00 54.97 55.76 3dr6 s GLU 58 Cb -0.04 -0.23 0.09 0.00 0.26 0.00 0.00 34.13 34.20 3dr6 s GLU 58 CO 0.01 -0.34 0.70 -1.71 -0.54 0.00 0.00 175.26 173.38 3dr6 n ASN 59 N 5.34 -2.53 -0.15 -1.70 5.15 -1.26 -1.29 115.26 118.82 3dr6 n ASN 59 Ca -0.06 -0.96 -0.02 0.00 -0.60 0.00 0.00 54.58 52.95 3dr6 n ASN 59 Cb 0.50 -3.14 -0.01 0.00 -0.53 0.00 0.00 39.78 36.60 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 -1.66 0.53 3.43 8.20 0.00 -1.26 -4.95 105.19 109.48 3dr6 n GLY 60 Ca -0.07 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.91 3.27 -0.01 1.61 1.01 -0.41 -5.09 120.40 118.86 3dr6 s VAL 61 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 3dr6 s VAL 61 Cb 0.00 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 3dr6 s VAL 61 CO 0.00 0.53 1.37 -0.69 0.00 0.00 0.00 175.10 176.31 3dr6 s VAL 62 N 0.11 3.81 -1.14 2.92 1.01 -1.26 -1.28 120.40 124.57 3dr6 s VAL 62 Ca -0.05 1.18 0.11 0.00 0.00 0.00 0.00 61.98 63.22 3dr6 s VAL 62 Cb -0.14 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.51 3dr6 s VAL 62 CO 0.04 -0.01 0.73 0.35 0.00 0.00 0.00 175.10 176.22 3dr6 n THR 63 N 4.68 0.00 0.00 3.92 -2.24 0.14 -4.92 114.28 115.86 3dr6 n THR 63 Ca 0.13 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3dr6 n THR 63 Cb 0.44 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 3dr6 n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dr6 n GLY 64 N 0.82 0.84 3.42 3.38 0.00 -1.23 -0.58 105.19 111.83 3dr6 n GLY 64 Ca 0.05 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 3dr6 n GLY 64 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dr6 s TYR 65 N -2.00 0.15 -0.05 1.61 1.13 -0.27 -1.17 117.35 116.75 3dr6 s TYR 65 Ca 0.00 -0.51 -0.13 0.00 -1.41 0.00 0.00 57.07 55.02 3dr6 s TYR 65 Cb 0.00 0.15 0.02 0.00 -1.10 0.00 0.00 41.96 41.03 3dr6 s TYR 65 CO 0.00 -0.80 0.29 0.00 -2.51 0.00 0.00 175.55 172.53 3dr6 s ALA 66 N -3.92 -0.74 0.36 9.51 0.00 -0.28 -1.29 121.76 125.41 3dr6 s ALA 66 Ca 0.13 0.48 -0.16 0.00 0.00 0.00 0.00 51.96 52.40 3dr6 s ALA 66 Cb 0.01 -0.13 0.05 0.00 0.00 0.00 0.00 23.12 23.05 3dr6 s ALA 66 CO -0.02 -0.22 0.77 0.45 0.00 0.00 0.00 175.76 176.74 3dr6 s SER 67 N -0.81 -0.02 0.08 0.00 0.15 -0.70 -0.50 113.70 111.89 3dr6 s SER 67 Ca -0.09 -1.06 -0.06 0.00 0.70 0.00 0.00 55.95 55.45 3dr6 s SER 67 Cb -0.04 0.82 -0.02 0.00 -1.71 0.00 0.00 66.02 65.07 3dr6 s SER 67 CO 0.03 -1.62 0.11 0.72 1.20 0.00 0.00 173.24 173.68 3dr6 s PHE 68 N -2.63 0.32 0.38 3.44 -0.12 -1.26 -1.28 117.98 116.85 3dr6 s PHE 68 Ca 0.15 -0.79 0.06 0.00 -0.05 0.00 0.00 56.93 56.30 3dr6 s PHE 68 Cb -0.05 -0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 42.12 3dr6 s PHE 68 CO 0.11 -0.49 0.22 0.20 -0.05 0.00 0.00 175.22 175.20 3dr6 s GLY 69 N -2.89 2.57 0.25 1.99 0.00 -0.65 -4.77 107.32 103.81 3dr6 s GLY 69 Ca 0.07 -1.60 -0.30 0.00 0.00 0.00 0.00 44.72 42.88 3dr6 s GLY 69 CO -0.10 -1.66 1.53 0.99 0.00 0.00 0.00 173.10 173.86 3dr6 s ASP 70 N -3.51 6.54 0.10 1.64 1.01 -1.26 -0.94 116.67 120.25 3dr6 s ASP 70 Ca 0.31 2.76 -0.20 0.00 0.71 0.00 0.00 52.55 56.13 3dr6 s ASP 70 Cb 0.02 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.25 3dr6 s ASP 70 CO 0.22 -0.81 1.68 -0.25 0.21 0.00 0.00 175.17 176.22 3dr6 h TRP 71 N 5.38 0.29 -3.86 4.23 7.01 -1.73 -3.41 115.95 123.86 3dr6 h TRP 71 Ca -0.46 -0.01 -0.28 0.00 2.11 0.00 0.00 58.89 60.25 3dr6 h TRP 71 Cb 1.22 -0.09 -0.18 0.00 -2.10 0.00 0.00 29.16 28.00 3dr6 h TRP 71 CO 0.61 0.29 -0.72 1.03 -2.79 0.00 0.00 178.44 176.85 3dr6 s ARG 72 N -5.74 0.72 -1.21 2.65 0.52 -1.26 -4.89 118.95 109.74 3dr6 s ARG 72 Ca -0.13 -1.05 -0.04 0.00 -0.52 0.00 0.00 55.73 53.99 3dr6 s ARG 72 Cb 0.08 -0.36 0.18 0.00 0.52 0.00 0.00 34.95 35.37 3dr6 s ARG 72 CO 0.70 0.05 2.23 0.43 0.02 0.00 0.00 175.30 178.73 3dr6 n SER 73 N 0.77 7.82 -3.89 0.23 7.64 -1.26 -4.82 113.62 120.10 3dr6 n SER 73 Ca -0.18 -3.31 -0.11 0.00 1.01 0.00 0.00 58.87 56.28 3dr6 n SER 73 Cb 0.57 -1.30 -0.13 0.00 -1.01 0.00 0.00 64.21 62.35 3dr6 n SER 73 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3dr6 s PHE 74 N -2.12 0.04 0.35 1.43 0.08 -1.26 -5.05 117.98 111.44 3dr6 s PHE 74 Ca 0.50 -0.07 0.32 0.00 0.12 0.00 0.00 56.93 57.80 3dr6 s PHE 74 Cb 0.19 -0.04 1.57 0.00 -0.57 0.00 0.00 43.02 44.17 3dr6 s PHE 74 CO -0.11 -0.08 2.08 0.38 -0.10 0.00 0.00 175.22 177.39 3dr6 h ASP 75 N 5.59 0.00 0.39 1.36 3.04 -2.04 -2.40 116.42 122.37 3dr6 h ASP 75 Ca -0.27 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 3dr6 h ASP 75 Cb 1.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 3dr6 h ASP 75 CO 0.46 0.07 0.00 1.23 -2.04 0.00 0.00 179.24 178.96 3dr6 h GLY 76 N 1.14 0.00 -3.15 7.15 0.00 -1.97 -2.46 103.07 103.79 3dr6 h GLY 76 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dr6 h GLY 76 CO 0.01 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.24 3dr6 n PHE 77 N -2.97 1.76 0.58 5.60 3.01 -0.90 -4.64 117.46 119.89 3dr6 n PHE 77 Ca -0.01 -0.61 0.07 0.00 1.01 0.00 0.00 57.45 57.91 3dr6 n PHE 77 Cb 0.16 -0.45 0.33 0.00 -0.01 0.00 0.00 39.48 39.51 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 0.52 0.10 -0.21 -1.08 1.85 -0.93 -0.38 116.66 116.53 3dr6 n ARG 78 Ca 0.23 0.20 0.10 0.00 -1.00 0.00 0.00 57.85 57.39 3dr6 n ARG 78 Cb 1.05 -1.50 0.21 0.00 -1.05 0.00 0.00 32.46 31.17 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 -1.39 0.56 -5.08 2.89 4.02 -1.26 -4.96 117.16 111.93 3dr6 n TYR 79 Ca 0.05 -0.34 -0.32 0.00 -0.01 0.00 0.00 57.90 57.28 3dr6 n TYR 79 Cb 0.14 -0.01 -0.16 0.00 -0.02 0.00 0.00 39.34 39.29 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 -1.21 2.30 0.19 -0.72 2.01 0.49 -0.37 115.64 118.33 3dr6 s THR 80 Ca 0.35 -0.93 0.09 0.00 0.31 0.00 0.00 61.69 61.52 3dr6 s THR 80 Cb 0.20 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 3dr6 s THR 80 CO 0.27 0.55 -0.19 0.68 -0.69 0.00 0.00 174.62 175.24 3dr6 s VAL 81 N 0.37 2.00 -0.17 3.82 -7.23 -0.37 -2.29 120.40 116.53 3dr6 s VAL 81 Ca -0.16 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 57.97 3dr6 s VAL 81 Cb -0.17 -1.98 0.01 0.00 0.56 0.00 0.00 36.38 34.79 3dr6 s VAL 81 CO 0.08 -0.32 -0.16 -0.70 -0.31 0.00 0.00 175.10 173.69 3dr6 s GLU 82 N -2.95 3.14 0.46 4.82 2.12 -0.11 -0.10 118.70 126.07 3dr6 s GLU 82 Ca 0.19 -0.77 -0.02 0.00 0.36 0.00 0.00 54.97 54.73 3dr6 s GLU 82 Cb -0.06 -2.64 -0.02 0.00 0.26 0.00 0.00 34.13 31.68 3dr6 s GLU 82 CO 0.08 -0.10 0.71 -3.38 -0.54 0.00 0.00 175.26 172.03 3dr6 s HIS 83 N 1.08 3.36 -0.01 5.30 -3.43 -1.14 -1.64 115.29 118.82 3dr6 s HIS 83 Ca -0.00 0.45 0.01 0.00 -0.80 0.00 0.00 55.06 54.72 3dr6 s HIS 83 Cb -0.14 -2.28 0.00 0.00 -1.43 0.00 0.00 32.58 28.72 3dr6 s HIS 83 CO -0.05 -0.31 -0.03 -1.54 -2.00 0.00 0.00 174.74 170.81 3dr6 s SER 84 N -4.17 0.42 -0.07 7.38 1.04 -0.40 -4.82 113.70 113.08 3dr6 s SER 84 Ca 0.47 -0.06 -0.00 0.00 0.48 0.00 0.00 55.95 56.84 3dr6 s SER 84 Cb -0.10 -0.07 0.02 0.00 0.10 0.00 0.00 66.02 65.97 3dr6 s SER 84 CO 0.40 0.02 -0.04 -0.69 0.98 0.00 0.00 173.24 173.92 3dr6 s VAL 85 N 0.07 0.62 -0.04 5.02 1.01 -1.26 -1.73 120.40 124.09 3dr6 s VAL 85 Ca -0.00 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.92 3dr6 s VAL 85 Cb -0.03 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.66 3dr6 s VAL 85 CO -0.00 0.28 -0.13 -0.31 0.00 0.00 0.00 175.10 174.94 3dr6 s TYR 86 N 1.51 1.34 -0.04 5.22 2.02 -0.41 -5.01 117.35 121.97 3dr6 s TYR 86 Ca -0.01 -0.39 -0.00 0.00 -0.37 0.00 0.00 57.07 56.30 3dr6 s TYR 86 Cb -0.13 -0.94 -0.03 0.00 -0.40 0.00 0.00 41.96 40.46 3dr6 s TYR 86 CO -0.04 -0.16 -0.01 0.08 -1.57 0.00 0.00 175.55 173.86 3dr6 s VAL 87 N 0.24 4.17 0.23 0.71 1.01 -1.26 -1.11 120.40 124.39 3dr6 s VAL 87 Ca -0.06 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.18 3dr6 s VAL 87 Cb -0.11 -2.80 -0.11 0.00 0.00 0.00 0.00 36.38 33.36 3dr6 s VAL 87 CO 0.02 0.50 1.58 -2.28 0.00 0.00 0.00 175.10 174.92 3dr6 s HIS 88 N -0.97 2.94 0.57 5.22 2.46 0.25 -4.88 115.29 120.88 3dr6 s HIS 88 Ca 0.16 0.69 0.41 0.00 0.47 0.00 0.00 55.06 56.79 3dr6 s HIS 88 Cb -0.11 -3.99 2.17 0.00 -0.13 0.00 0.00 32.58 30.52 3dr6 s HIS 88 CO 0.06 -3.51 2.30 -1.00 -2.47 0.00 0.00 174.74 170.12 3dr6 h PRO 89 N 5.91 0.00 -0.00 2.88 0.13 -1.95 0.11 132.00 139.08 3dr6 h PRO 89 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3dr6 h PRO 89 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3dr6 h PRO 89 CO 0.86 0.01 -0.03 0.00 -0.23 0.00 0.00 178.00 178.61 3dr6 n ALA 90 N -2.13 2.59 -1.65 -0.56 0.00 -1.26 -4.00 120.51 113.50 3dr6 n ALA 90 Ca -0.02 -0.19 0.06 0.00 0.00 0.00 0.00 53.44 53.29 3dr6 n ALA 90 Cb 0.11 -1.45 0.16 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.14 0.00 -1.65 0.00 8.25 0.37 -5.06 115.22 115.99 3dr6 n HIS 91 Ca 0.16 -1.21 -0.31 0.00 -0.26 0.00 0.00 57.72 56.10 3dr6 n HIS 91 Cb 0.23 -0.21 0.05 0.00 1.12 0.00 0.00 29.99 31.18 3dr6 n HIS 91 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3dr6 s GLN 92 N -2.57 2.93 0.00 -0.41 -0.21 -1.23 -4.12 119.66 114.04 3dr6 s GLN 92 Ca 0.35 0.82 0.00 0.00 0.02 0.00 0.00 55.36 56.55 3dr6 s GLN 92 Cb 0.34 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 32.35 3dr6 s GLN 92 CO -0.06 -1.07 0.00 0.41 -2.12 0.00 0.00 175.29 172.44 3dr6 n GLY 93 N -2.24 0.79 0.77 3.09 0.00 -1.26 -4.89 105.19 101.45 3dr6 n GLY 93 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.33 2.81 -1.23 1.61 5.02 -1.26 -4.97 118.16 117.81 3dr6 n LYS 94 Ca 0.00 -2.15 -0.08 0.00 -2.02 0.00 0.00 58.31 54.06 3dr6 n LYS 94 Cb 0.00 -1.33 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 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 0.73 0.98 0.27 0.72 0.00 -1.26 -4.93 105.19 101.70 3dr6 n GLY 95 Ca 0.14 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 0.89 -0.43 0.99 3.38 -1.93 -1.81 115.31 116.40 3dr6 h LEU 96 Ca -0.16 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.52 3dr6 h LEU 96 Cb 0.61 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3dr6 h LEU 96 CO 0.24 1.10 0.12 1.23 0.09 0.00 0.00 178.44 181.22 3dr6 h GLY 97 N 0.91 0.54 0.85 0.83 0.00 -1.95 0.92 103.07 105.18 3dr6 h GLY 97 Ca 0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 3dr6 h GLY 97 CO 0.07 -0.01 -0.03 -0.09 0.00 0.00 0.00 176.54 176.48 3dr6 h ARG 98 N 0.27 0.46 -0.58 4.80 2.43 -1.94 -0.98 114.38 118.85 3dr6 h ARG 98 Ca 0.21 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3dr6 h ARG 98 Cb 0.23 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3dr6 h ARG 98 CO -0.24 0.66 0.36 0.87 -1.51 0.00 0.00 179.97 180.11 3dr6 h LYS 99 N 0.23 0.78 -0.26 0.20 1.57 -1.12 0.10 116.57 118.06 3dr6 h LYS 99 Ca 0.07 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3dr6 h LYS 99 Cb 0.47 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3dr6 h LYS 99 CO 0.02 0.55 0.03 -0.07 -0.57 0.00 0.00 179.45 179.40 3dr6 h LEU 100 N 0.78 0.43 -0.65 2.94 3.38 -0.78 -2.00 115.31 119.40 3dr6 h LEU 100 Ca 0.21 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3dr6 h LEU 100 Cb -0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3dr6 h LEU 100 CO -0.04 0.60 0.31 0.25 0.09 0.00 0.00 178.44 179.64 3dr6 h LEU 101 N 0.24 0.86 -0.98 1.67 5.85 -0.94 0.09 115.31 122.10 3dr6 h LEU 101 Ca 0.08 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3dr6 h LEU 101 Cb 0.36 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3dr6 h LEU 101 CO 0.01 0.75 0.64 0.28 -0.34 0.00 0.00 178.44 179.78 3dr6 h SER 102 N 0.91 1.14 -0.09 1.25 0.02 -0.70 -0.93 113.55 115.15 3dr6 h SER 102 Ca 0.22 -0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 60.98 3dr6 h SER 102 Cb 0.13 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3dr6 h SER 102 CO -0.03 0.83 -0.51 -0.09 -1.14 0.00 0.00 176.83 175.90 3dr6 h ARG 103 N 1.34 0.66 -0.60 3.45 9.65 -1.04 -3.13 114.38 124.71 3dr6 h ARG 103 Ca 0.36 -0.40 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 3dr6 h ARG 103 Cb -0.14 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.45 3dr6 h ARG 103 CO -0.08 1.01 0.28 1.25 2.80 0.00 0.00 179.97 185.23 3dr6 h LEU 104 N 0.52 0.78 -0.37 3.80 5.85 -0.29 -2.02 115.31 123.58 3dr6 h LEU 104 Ca 0.02 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3dr6 h LEU 104 Cb 1.07 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 3dr6 h LEU 104 CO 0.10 0.67 0.15 0.40 -0.34 0.00 0.00 178.44 179.43 3dr6 h ILE 105 N 0.86 1.19 -0.43 4.05 2.04 -1.17 0.30 117.51 124.33 3dr6 h ILE 105 Ca 0.21 -0.57 0.07 0.00 1.00 0.00 0.00 64.86 65.57 3dr6 h ILE 105 Cb 0.11 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 3dr6 h ILE 105 CO -0.03 0.21 0.05 0.44 0.00 0.00 0.00 178.15 178.82 3dr6 h ASP 106 N 0.45 -0.06 -0.37 1.72 3.32 -1.38 -1.94 116.42 118.15 3dr6 h ASP 106 Ca 0.12 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 3dr6 h ASP 106 Cb 0.18 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3dr6 h ASP 106 CO -0.01 0.00 0.04 -0.33 -1.72 0.00 0.00 179.24 177.22 3dr6 h GLU 107 N 0.18 0.73 -0.80 3.56 4.39 -0.93 -1.96 114.58 119.74 3dr6 h GLU 107 Ca 0.21 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 3dr6 h GLU 107 Cb 0.29 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 3dr6 h GLU 107 CO -0.31 0.71 0.41 0.00 -1.16 0.00 0.00 179.01 178.66 3dr6 h ALA 108 N 1.35 1.03 -0.72 3.43 0.00 -0.49 0.59 119.26 124.45 3dr6 h ALA 108 Ca 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3dr6 h ALA 108 Cb 0.37 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3dr6 h ALA 108 CO 0.01 0.58 0.30 0.00 0.00 0.00 0.00 179.25 180.13 3dr6 h ARG 109 N 1.13 1.07 -0.14 0.00 3.08 -1.17 -2.17 114.38 116.17 3dr6 h ARG 109 Ca 0.28 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 3dr6 h ARG 109 Cb 0.08 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3dr6 h ARG 109 CO -0.04 0.88 -0.12 0.00 -1.07 0.00 0.00 179.97 179.62 3dr6 h ARG 110 N 1.03 0.22 0.00 0.04 3.08 -0.74 -0.61 114.38 117.40 3dr6 h ARG 110 Ca 0.24 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3dr6 h ARG 110 Cb 0.20 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3dr6 h ARG 110 CO -0.02 0.35 0.00 0.00 -1.07 0.00 0.00 179.97 179.23 3dr6 n GLY 112 N 0.75 0.66 3.80 0.00 0.00 -0.24 -5.02 105.19 105.14 3dr6 n GLY 112 Ca 0.17 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.99 4.33 -0.15 1.61 -0.14 -0.85 -4.96 119.74 117.59 3dr6 s LYS 113 Ca 0.00 1.29 0.13 0.00 -1.36 0.00 0.00 55.97 56.03 3dr6 s LYS 113 Cb 0.00 -2.49 -0.24 0.00 -1.68 0.00 0.00 37.83 33.42 3dr6 s LYS 113 CO 0.00 0.05 0.26 1.58 -0.76 0.00 0.00 175.35 176.48 3dr6 n HIS 114 N -0.07 0.41 -3.42 3.18 -0.00 0.50 -4.63 115.22 111.18 3dr6 n HIS 114 Ca 0.05 0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 3dr6 n HIS 114 Cb 0.52 -1.07 0.00 0.00 -0.00 0.00 0.00 29.99 29.43 3dr6 n HIS 114 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3dr6 n VAL 115 N -2.94 0.00 -3.64 3.57 0.31 -1.03 -0.25 118.33 114.34 3dr6 n VAL 115 Ca -0.29 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.00 3dr6 n VAL 115 Cb 1.10 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.96 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 -1.60 0.00 -0.13 2.52 1.01 0.85 -1.24 120.40 121.81 3dr6 s VAL 117 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 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 -0.10 0.00 0.00 0.00 0.00 175.10 175.00 3dr6 s ALA 118 N 0.51 2.73 -0.29 5.51 0.00 -1.26 -2.89 121.76 126.06 3dr6 s ALA 118 Ca 0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 51.00 3dr6 s ALA 118 Cb -0.04 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 3dr6 s ALA 118 CO -0.11 0.25 0.14 0.20 0.00 0.00 0.00 175.76 176.24 3dr6 s GLY 119 N 0.31 1.85 -0.04 0.00 0.00 -1.26 -4.21 107.32 103.97 3dr6 s GLY 119 Ca -0.08 -1.27 0.02 0.00 0.00 0.00 0.00 44.72 43.39 3dr6 s GLY 119 CO 0.05 0.65 -0.09 -0.42 0.00 0.00 0.00 173.10 173.29 3dr6 s ILE 120 N 1.64 0.82 0.31 0.90 1.01 0.51 -4.97 121.20 121.41 3dr6 s ILE 120 Ca 0.05 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.07 3dr6 s ILE 120 Cb -0.16 -0.74 -0.13 0.00 0.01 0.00 0.00 42.46 41.43 3dr6 s ILE 120 CO 0.06 0.26 1.27 1.21 0.00 0.00 0.00 174.94 177.75 3dr6 n GLU 121 N 3.49 1.98 0.17 2.79 2.13 -1.26 -0.24 120.64 129.69 3dr6 n GLU 121 Ca -0.20 0.69 0.05 0.00 0.66 0.00 0.00 57.16 58.36 3dr6 n GLU 121 Cb 0.53 -2.26 0.50 0.00 0.27 0.00 0.00 31.44 30.49 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 2.85 0.14 -0.05 4.31 0.02 -1.51 -2.25 113.55 117.06 3dr6 h SER 122 Ca -0.45 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3dr6 h SER 122 Cb 1.29 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3dr6 h SER 122 CO 0.65 0.21 0.00 0.00 -1.14 0.00 0.00 176.83 176.55 3dr6 n GLN 123 N -4.41 1.38 -2.62 3.45 3.00 -1.26 -4.65 117.38 112.27 3dr6 n GLN 123 Ca -0.01 -0.56 -0.43 0.00 -0.01 0.00 0.00 57.00 55.99 3dr6 n GLN 123 Cb 0.17 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 28.99 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 -0.28 4.99 -0.02 1.08 2.85 -0.85 -4.79 115.26 118.24 3dr6 n ASN 124 Ca 0.18 -2.97 0.03 0.00 -0.11 0.00 0.00 54.58 51.71 3dr6 n ASN 124 Cb 0.23 -1.61 0.40 0.00 1.24 0.00 0.00 39.78 40.03 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 6.90 1.65 -0.50 5.20 0.00 -1.88 -0.70 119.26 129.94 3dr6 h ALA 125 Ca 0.39 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3dr6 h ALA 125 Cb 0.81 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3dr6 h ALA 125 CO 1.43 0.31 0.23 0.00 0.00 0.00 0.00 179.25 181.23 3dr6 h ALA 126 N 1.70 0.64 -0.38 0.00 0.00 -2.00 -0.53 119.26 118.70 3dr6 h ALA 126 Ca 0.16 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3dr6 h ALA 126 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3dr6 h ALA 126 CO -0.03 0.21 -0.34 1.03 0.00 0.00 0.00 179.25 180.12 3dr6 h SER 127 N 0.66 0.90 -0.23 0.00 0.87 -1.80 -1.22 113.55 112.73 3dr6 h SER 127 Ca 0.17 -0.39 0.03 0.00 -1.23 0.00 0.00 61.79 60.37 3dr6 h SER 127 Cb 0.13 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 3dr6 h SER 127 CO -0.02 1.15 0.06 0.40 -0.53 0.00 0.00 176.83 177.89 3dr6 h ILE 128 N 0.71 0.92 -0.27 2.23 2.04 -0.94 -0.91 117.51 121.29 3dr6 h ILE 128 Ca 0.07 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.91 3dr6 h ILE 128 Cb 0.90 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 3dr6 h ILE 128 CO 0.08 0.03 0.05 0.03 0.00 0.00 0.00 178.15 178.34 3dr6 h ARG 129 N 0.15 0.15 -0.08 2.37 3.08 -0.97 0.27 114.38 119.34 3dr6 h ARG 129 Ca 0.10 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.17 3dr6 h ARG 129 Cb 0.09 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3dr6 h ARG 129 CO -0.12 0.10 -0.10 1.25 -1.07 0.00 0.00 179.97 180.03 3dr6 h LEU 130 N 0.16 -0.32 -0.58 3.04 6.46 -0.82 -0.35 115.31 122.90 3dr6 h LEU 130 Ca 0.13 0.06 -0.08 0.00 -0.12 0.00 0.00 57.88 57.87 3dr6 h LEU 130 Cb 0.13 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 3dr6 h LEU 130 CO -0.17 -0.14 0.07 0.45 -0.62 0.00 0.00 178.44 178.03 3dr6 h HIS 131 N -0.14 1.05 -0.60 1.25 3.86 -1.00 -2.93 115.15 116.64 3dr6 h HIS 131 Ca 0.07 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 3dr6 h HIS 131 Cb 0.23 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 3dr6 h HIS 131 CO -0.21 0.92 0.28 1.25 0.86 0.00 0.00 177.93 181.03 3dr6 h HIS 132 N 0.87 0.84 0.00 2.45 -0.00 -0.12 -1.01 115.15 118.18 3dr6 h HIS 132 Ca 0.17 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 3dr6 h HIS 132 Cb 0.46 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 3dr6 h HIS 132 CO 0.03 0.62 0.00 0.77 -0.00 0.00 0.00 177.93 179.36 3dr6 h SER 133 N 0.85 0.00 -0.50 3.26 0.02 -0.88 -1.93 113.55 114.37 3dr6 h SER 133 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3dr6 h SER 133 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3dr6 h SER 133 CO -0.03 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.84 3dr6 n LEU 134 N -3.06 4.51 0.00 5.07 4.77 -0.45 -4.95 117.00 122.89 3dr6 n LEU 134 Ca -0.01 -2.62 0.00 0.00 -0.03 0.00 0.00 56.01 53.35 3dr6 n LEU 134 Cb 0.22 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 3dr6 n LEU 134 CO 0.24 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 3dr6 n GLY 135 N 0.55 0.62 3.77 -0.72 0.00 -0.72 -5.05 105.19 103.63 3dr6 n GLY 135 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.45 2.96 -0.01 1.61 0.40 -0.82 -4.74 117.98 114.94 3dr6 s PHE 136 Ca 0.00 1.53 0.07 0.00 -0.60 0.00 0.00 56.93 57.93 3dr6 s PHE 136 Cb 0.00 -3.41 -0.02 0.00 0.51 0.00 0.00 43.02 40.10 3dr6 s PHE 136 CO 0.00 -1.46 -0.22 0.99 0.70 0.00 0.00 175.22 175.23 3dr6 s THR 137 N -1.46 1.71 0.07 0.64 2.01 -0.43 -4.19 115.64 113.99 3dr6 s THR 137 Ca 0.60 -0.95 -0.31 0.00 0.31 0.00 0.00 61.69 61.34 3dr6 s THR 137 Cb -0.30 -1.43 -0.08 0.00 0.01 0.00 0.00 72.50 70.70 3dr6 s THR 137 CO 0.38 0.46 1.60 -0.69 -0.69 0.00 0.00 174.62 175.67 3dr6 s VAL 138 N -0.54 3.09 0.00 3.82 1.01 -1.26 -0.86 120.40 125.67 3dr6 s VAL 138 Ca 0.08 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.65 3dr6 s VAL 138 Cb -0.08 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.92 3dr6 s VAL 138 CO -0.01 0.01 0.26 0.35 0.00 0.00 0.00 175.10 175.71 3dr6 n THR 139 N 4.60 0.00 -3.80 3.92 -2.24 -0.33 -4.96 114.28 111.48 3dr6 n THR 139 Ca 0.15 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.49 3dr6 n THR 139 Cb 0.41 1.31 -0.11 0.00 -2.10 0.00 0.00 70.33 69.84 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 -0.10 -0.56 0.04 6.98 0.00 -1.05 -4.93 121.76 122.15 3dr6 s ALA 140 Ca 0.00 0.50 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 3dr6 s ALA 140 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3dr6 s ALA 140 CO 0.00 -0.14 0.06 -1.14 0.00 0.00 0.00 175.76 174.54 3dr6 s GLN 141 N -0.28 0.60 -0.09 0.00 2.00 -1.26 -1.79 119.66 118.84 3dr6 s GLN 141 Ca -0.04 -0.88 -0.06 0.00 -2.00 0.00 0.00 55.36 52.37 3dr6 s GLN 141 Cb -0.03 0.23 0.03 0.00 0.80 0.00 0.00 33.01 34.04 3dr6 s GLN 141 CO 0.01 -0.14 0.23 -2.14 -0.50 0.00 0.00 175.29 172.75 3dr6 s PRO 143 N -2.98 0.23 -1.81 1.67 0.02 -1.26 -4.99 135.00 125.88 3dr6 s PRO 143 Ca -0.02 0.43 0.00 0.00 0.02 0.00 0.00 61.00 61.43 3dr6 s PRO 143 Cb 0.01 -0.00 0.00 0.00 0.02 0.00 0.00 34.50 34.53 3dr6 s PRO 143 CO -0.06 -0.10 0.00 1.04 -0.33 0.00 0.00 177.00 177.55 3dr6 n GLN 144 N 3.63 -1.67 0.15 5.54 6.02 -1.09 -4.86 117.38 125.09 3dr6 n GLN 144 Ca -0.19 1.03 0.12 0.00 -0.01 0.00 0.00 57.00 57.94 3dr6 n GLN 144 Cb 0.55 -5.69 0.11 0.00 1.02 0.00 0.00 30.24 26.24 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 -1.33 5.09 -1.51 -1.85 -3.45 116.25 113.20 3dr6 h VAL 145 Ca -0.50 -0.92 -0.62 0.00 -1.23 0.00 0.00 66.70 63.44 3dr6 h VAL 145 Cb 1.37 1.66 -0.11 0.00 -2.13 0.00 0.00 31.29 32.08 3dr6 h VAL 145 CO 0.59 0.00 -0.53 -0.83 -1.23 0.00 0.00 177.57 175.57 3dr6 s GLY 146 N -4.18 2.54 -0.05 5.19 0.00 -0.90 -4.99 107.32 104.93 3dr6 s GLY 146 Ca 0.04 -1.83 -0.05 0.00 0.00 0.00 0.00 44.72 42.88 3dr6 s GLY 146 CO 0.72 -2.05 0.14 -1.34 0.00 0.00 0.00 173.10 170.57 3dr6 s VAL 147 N -2.71 0.01 -0.10 1.40 -7.23 -1.26 -0.57 120.40 109.94 3dr6 s VAL 147 Ca 0.31 -0.08 -0.30 0.00 -1.81 0.00 0.00 61.98 60.11 3dr6 s VAL 147 Cb 0.06 -0.23 0.11 0.00 0.56 0.00 0.00 36.38 36.87 3dr6 s VAL 147 CO 0.17 -0.04 0.88 -0.75 -0.31 0.00 0.00 175.10 175.04 3dr6 s LYS 148 N -0.08 0.78 -1.92 4.82 2.20 -0.91 -4.93 119.74 119.70 3dr6 s LYS 148 Ca -0.02 0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.69 3dr6 s LYS 148 Cb -0.02 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.67 3dr6 s LYS 148 CO 0.00 -0.26 0.00 1.19 -0.36 0.00 0.00 175.35 175.92 3dr6 n PHE 149 N 0.61 -0.35 -0.95 4.03 3.72 -1.26 -2.11 117.46 121.15 3dr6 n PHE 149 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3dr6 n PHE 149 Cb 0.58 -3.38 0.00 0.00 -0.94 0.00 0.00 39.48 35.74 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 -0.51 0.63 3.30 1.37 0.00 -1.26 -5.05 105.19 103.66 3dr6 n GLY 150 Ca -0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.05 1.20 0.35 1.61 1.70 -0.90 -5.13 118.95 117.73 3dr6 s ARG 151 Ca 0.00 -1.46 -0.28 0.00 -0.47 0.00 0.00 55.73 53.52 3dr6 s ARG 151 Cb 0.00 -1.01 -0.10 0.00 -0.57 0.00 0.00 34.95 33.27 3dr6 s ARG 151 CO 0.00 0.17 1.26 -1.58 -1.08 0.00 0.00 175.30 174.07 3dr6 s TRP 152 N -2.71 3.08 0.07 5.89 0.52 -1.26 -2.15 118.94 122.38 3dr6 s TRP 152 Ca 0.17 1.47 0.09 0.00 0.02 0.00 0.00 56.10 57.86 3dr6 s TRP 152 Cb -0.02 -3.59 -0.03 0.00 -1.15 0.00 0.00 33.47 28.68 3dr6 s TRP 152 CO 0.05 -1.65 -0.25 -0.51 0.02 0.00 0.00 176.95 174.60 3dr6 s LEU 153 N -1.96 2.22 -0.11 2.99 1.43 0.27 -4.91 118.68 118.61 3dr6 s LEU 153 Ca 0.51 -0.64 -0.08 0.00 -1.03 0.00 0.00 54.13 52.89 3dr6 s LEU 153 Cb -0.37 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 3dr6 s LEU 153 CO 0.49 0.21 0.17 -1.81 0.23 0.00 0.00 176.35 175.63 3dr6 s ASP 154 N -1.52 6.43 -0.16 2.29 1.01 -1.26 -2.11 116.67 121.34 3dr6 s ASP 154 Ca 0.11 0.52 -0.02 0.00 0.71 0.00 0.00 52.55 53.87 3dr6 s ASP 154 Cb -0.10 -2.09 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 3dr6 s ASP 154 CO 0.03 0.40 -0.07 -0.22 0.21 0.00 0.00 175.17 175.52 3dr6 s LEU 155 N -1.04 2.96 -0.16 1.23 2.96 -1.26 -1.27 118.68 122.10 3dr6 s LEU 155 Ca 0.16 -0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 53.75 3dr6 s LEU 155 Cb -0.12 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 3dr6 s LEU 155 CO 0.05 0.12 0.01 -0.89 -1.32 0.00 0.00 176.35 174.33 3dr6 s THR 156 N 0.63 4.38 0.24 3.68 2.01 0.67 -4.12 115.64 123.11 3dr6 s THR 156 Ca -0.04 -0.19 0.04 0.00 0.31 0.00 0.00 61.69 61.80 3dr6 s THR 156 Cb -0.15 -2.93 0.04 0.00 0.01 0.00 0.00 72.50 69.46 3dr6 s THR 156 CO 0.03 0.49 0.29 0.49 -0.69 0.00 0.00 174.62 175.23 3dr6 n PHE 157 N 3.34 -2.32 -3.62 4.92 0.99 -0.74 -0.36 117.46 119.66 3dr6 n PHE 157 Ca -0.17 -0.90 -0.03 0.00 -0.00 0.00 0.00 57.45 56.35 3dr6 n PHE 157 Cb 0.52 -0.22 -0.03 0.00 -1.00 0.00 0.00 39.48 38.76 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 -3.05 0.17 -0.10 -1.08 -2.07 -0.04 -1.18 119.66 112.30 3dr6 s GLN 159 Ca 0.22 -0.03 0.00 0.00 -1.82 0.00 0.00 55.36 53.74 3dr6 s GLN 159 Cb -0.02 0.08 0.02 0.00 -1.09 0.00 0.00 33.01 32.00 3dr6 s GLN 159 CO 0.14 -0.07 -0.08 -1.17 -1.32 0.00 0.00 175.29 172.79 3dr6 s LEU 160 N -1.68 1.26 0.02 2.60 2.96 -1.26 -1.31 118.68 121.28 3dr6 s LEU 160 Ca 0.09 -0.30 -0.26 0.00 -0.22 0.00 0.00 54.13 53.45 3dr6 s LEU 160 Cb -0.01 -0.83 -0.05 0.00 0.50 0.00 0.00 46.19 45.81 3dr6 s LEU 160 CO -0.05 -0.09 0.80 -1.58 -1.32 0.00 0.00 176.35 174.11 3dr6 s GLN 161 N 1.51 4.51 -0.00 1.98 0.74 -1.26 -4.30 119.66 122.83 3dr6 s GLN 161 Ca 0.01 1.11 0.21 0.00 0.05 0.00 0.00 55.36 56.74 3dr6 s GLN 161 Cb -0.13 -3.40 -0.24 0.00 1.10 0.00 0.00 33.01 30.34 3dr6 s GLN 161 CO -0.06 0.18 0.84 1.28 -0.55 0.00 0.00 175.29 176.98 3dr6 n LEU 162 N 3.18 0.86 -3.86 3.68 4.77 0.65 -4.99 117.00 121.29 3dr6 n LEU 162 Ca -0.00 -0.44 -0.08 0.00 -0.03 0.00 0.00 56.01 55.45 3dr6 n LEU 162 Cb 0.50 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3dr6 n LEU 162 CO 0.48 0.22 0.45 1.51 -1.33 0.00 0.00 177.39 178.72 3dr6 s ASP 163 N -3.15 -0.05 -0.19 -1.43 1.47 -1.26 -4.99 116.67 107.07 3dr6 s ASP 163 Ca 0.06 -0.93 0.15 0.00 1.18 0.00 0.00 52.55 53.01 3dr6 s ASP 163 Cb 0.16 0.77 0.42 0.00 -0.34 0.00 0.00 42.92 43.92 3dr6 s ASP 163 CO 0.86 -1.48 1.30 1.21 0.68 0.00 0.00 175.17 177.74 3dr6 n GLU 164 N -0.49 1.88 -1.73 2.11 4.07 -1.26 -5.05 120.64 120.17 3dr6 n GLU 164 Ca -0.05 -2.90 -0.42 0.00 -0.06 0.00 0.00 57.16 53.72 3dr6 n GLU 164 Cb 0.60 -1.68 -0.01 0.00 -0.06 0.00 0.00 31.44 30.29 3dr6 n GLU 164 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 3dr6 n HIS 165 N -1.08 2.58 0.26 4.31 8.25 -1.26 -4.88 115.22 123.40 3dr6 n HIS 165 Ca 0.21 0.46 0.09 0.00 -0.26 0.00 0.00 57.72 58.22 3dr6 n HIS 165 Cb 0.80 -2.49 0.68 0.00 1.12 0.00 0.00 29.99 30.09 3dr6 n HIS 165 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dr6 h ALA 166 N 3.23 1.78 -2.91 -1.41 0.00 -2.08 -3.45 119.26 114.42 3dr6 h ALA 166 Ca -0.47 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 3dr6 h ALA 166 Cb 1.26 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.92 3dr6 h ALA 166 CO 0.67 0.06 0.12 0.00 0.00 0.00 0.00 179.25 180.11 3dr6 s ALA 167 N -4.82 -1.40 0.43 0.00 0.00 -1.26 -5.14 121.76 109.57 3dr6 s ALA 167 Ca -0.05 0.34 -0.25 0.00 0.00 0.00 0.00 51.96 52.00 3dr6 s ALA 167 Cb 0.16 0.81 -0.09 0.00 0.00 0.00 0.00 23.12 24.00 3dr6 s ALA 167 CO 0.64 -0.72 1.27 -0.35 0.00 0.00 0.00 175.76 176.60 3dr6 n PRO 168 N -0.31 1.90 -0.07 0.00 -0.04 -1.26 -4.94 135.00 130.28 3dr6 n PRO 168 Ca -0.17 0.68 0.05 0.00 -0.04 0.00 0.00 63.50 64.02 3dr6 n PRO 168 Cb 0.64 -2.39 0.08 0.00 -0.04 0.00 0.00 33.50 31.80 3dr6 n PRO 168 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3dr6 n ASP 169 N 0.13 2.34 -2.66 3.54 5.75 -1.26 -4.78 116.55 119.61 3dr6 n ASP 169 Ca 0.07 -2.47 -0.01 0.00 -0.01 0.00 0.00 54.79 52.37 3dr6 n ASP 169 Cb 0.40 -0.22 0.08 0.00 -1.03 0.00 0.00 41.12 40.35 3dr6 n ASP 169 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dr6 n ALA 170 N -0.76 2.73 -0.76 2.12 0.00 -1.26 -5.25 120.51 117.33 3dr6 n ALA 170 Ca 0.08 -2.00 0.00 0.00 0.00 0.00 0.00 53.44 51.53 3dr6 n ALA 170 Cb 0.45 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3dr6 n ALA 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50