#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dr6 s THR 2 N 0.00 0.00 -0.11 0.00 -4.23 -0.59 -4.39 115.64 106.33 3dr6 s THR 2 Ca 0.00 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.53 3dr6 s THR 2 Cb 0.00 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.83 3dr6 s THR 2 CO 0.00 0.00 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.25 3dr6 s ILE 3 N -2.49 2.44 0.17 2.99 1.01 -1.26 -0.70 121.20 123.36 3dr6 s ILE 3 Ca 0.03 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 3dr6 s ILE 3 Cb -0.01 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 3dr6 s ILE 3 CO -0.05 0.55 0.10 0.00 0.00 0.00 0.00 174.94 175.53 3dr6 s ARG 4 N 0.32 1.09 0.26 2.79 1.70 -0.47 -4.99 118.95 119.66 3dr6 s ARG 4 Ca -0.15 -1.55 -0.30 0.00 -0.47 0.00 0.00 55.73 53.26 3dr6 s ARG 4 Cb -0.17 0.24 -0.10 0.00 -0.57 0.00 0.00 34.95 34.35 3dr6 s ARG 4 CO 0.08 -0.33 1.35 -0.06 -1.08 0.00 0.00 175.30 175.25 3dr6 s PHE 5 N -4.10 3.12 0.65 5.89 0.08 -1.26 -0.86 117.98 121.50 3dr6 s PHE 5 Ca 0.33 1.24 -0.13 0.00 0.12 0.00 0.00 56.93 58.48 3dr6 s PHE 5 Cb 0.07 -3.69 -0.01 0.00 -0.57 0.00 0.00 43.02 38.82 3dr6 s PHE 5 CO 0.08 -2.09 1.07 0.00 -0.10 0.00 0.00 175.22 174.17 3dr6 s ALA 6 N -0.40 2.65 0.40 5.36 0.00 0.55 -4.76 121.76 125.56 3dr6 s ALA 6 Ca 0.54 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.82 3dr6 s ALA 6 Cb -0.39 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 3dr6 s ALA 6 CO 0.45 -1.10 0.12 -0.40 0.00 0.00 0.00 175.76 174.83 3dr6 n ASP 7 N -2.62 1.48 -0.31 0.00 5.68 -1.26 -4.94 116.55 114.58 3dr6 n ASP 7 Ca 0.08 -3.06 0.14 0.00 -0.50 0.00 0.00 54.79 51.45 3dr6 n ASP 7 Cb 0.53 0.90 0.37 0.00 -1.14 0.00 0.00 41.12 41.78 3dr6 n ASP 7 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3dr6 h LYS 8 N 0.00 0.67 0.00 0.11 1.57 -1.99 -1.30 116.57 115.64 3dr6 h LYS 8 Ca -0.31 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3dr6 h LYS 8 Cb 1.16 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.32 3dr6 h LYS 8 CO 0.50 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 179.82 3dr6 h ALA 9 N 1.61 1.00 -0.00 3.86 0.00 -2.03 -1.91 119.26 121.79 3dr6 h ALA 9 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3dr6 h ALA 9 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3dr6 h ALA 9 CO -0.27 0.00 -0.21 -0.25 0.00 0.00 0.00 179.25 178.51 3dr6 n ASP 10 N -2.50 0.32 0.17 0.00 8.00 -0.49 -4.38 116.55 117.67 3dr6 n ASP 10 Ca 0.00 -0.07 0.03 0.00 0.71 0.00 0.00 54.79 55.47 3dr6 n ASP 10 Cb 0.18 -0.11 0.30 0.00 -0.02 0.00 0.00 41.12 41.47 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 1.55 0.49 -0.27 0.00 0.00 -1.81 -0.13 119.26 119.08 3dr6 h ALA 12 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3dr6 h ALA 12 Cb 0.90 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3dr6 h ALA 12 CO 0.06 -0.03 0.08 0.00 0.00 0.00 0.00 179.25 179.36 3dr6 h ALA 13 N 1.11 0.36 -0.90 0.00 0.00 -1.75 -1.93 119.26 116.15 3dr6 h ALA 13 Ca 0.14 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.00 3dr6 h ALA 13 Cb -0.02 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.59 3dr6 h ALA 13 CO -0.03 -0.00 0.54 0.82 0.00 0.00 0.00 179.25 180.58 3dr6 h ILE 14 N 0.28 0.91 -0.61 0.00 2.04 -1.12 -1.54 117.51 117.47 3dr6 h ILE 14 Ca 0.09 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.66 3dr6 h ILE 14 Cb 0.26 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 3dr6 h ILE 14 CO -0.00 0.16 0.40 0.74 0.00 0.00 0.00 178.15 179.45 3dr6 h THR 15 N 0.88 1.14 -0.66 -0.27 2.02 -0.66 0.15 112.91 115.51 3dr6 h THR 15 Ca 0.44 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 3dr6 h THR 15 Cb 0.42 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 3dr6 h THR 15 CO -0.26 0.15 0.39 -0.08 0.37 0.00 0.00 175.52 176.10 3dr6 h GLU 16 N 0.81 0.89 -0.06 6.66 4.81 -0.54 -0.10 114.58 127.05 3dr6 h GLU 16 Ca 0.23 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3dr6 h GLU 16 Cb -0.08 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.12 3dr6 h GLU 16 CO -0.06 0.64 -0.03 0.82 -0.73 0.00 0.00 179.01 179.65 3dr6 h ILE 17 N 0.89 1.32 -0.10 2.32 2.04 -0.88 -1.86 117.51 121.24 3dr6 h ILE 17 Ca 0.24 -1.00 0.03 0.00 1.00 0.00 0.00 64.86 65.13 3dr6 h ILE 17 Cb -0.02 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 3dr6 h ILE 17 CO -0.04 0.28 -0.11 0.22 0.00 0.00 0.00 178.15 178.49 3dr6 h TYR 18 N -0.25 -0.28 -0.84 1.37 3.20 -0.65 -2.52 116.97 117.01 3dr6 h TYR 18 Ca 0.01 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3dr6 h TYR 18 Cb 0.45 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 3dr6 h TYR 18 CO 0.06 -0.17 0.51 -0.91 -1.64 0.00 0.00 178.16 176.01 3dr6 h ASN 19 N -0.14 1.00 -0.07 -2.11 2.35 -0.98 0.27 115.58 115.90 3dr6 h ASN 19 Ca 0.07 -0.06 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3dr6 h ASN 19 Cb 0.25 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 3dr6 h ASN 19 CO -0.18 0.76 -0.12 -0.74 -1.65 0.00 0.00 177.43 175.51 3dr6 h HIS 20 N 1.15 -0.29 -0.52 1.19 2.76 -1.09 -0.39 115.15 117.96 3dr6 h HIS 20 Ca 0.30 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.52 3dr6 h HIS 20 Cb -0.05 0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.01 3dr6 h HIS 20 CO 0.00 -0.18 0.28 0.00 -1.30 0.00 0.00 177.93 176.74 3dr6 h ALA 21 N 0.86 0.66 -0.38 5.26 0.00 -0.99 -0.48 119.26 124.20 3dr6 h ALA 21 Ca 0.07 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3dr6 h ALA 21 Cb 0.26 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3dr6 h ALA 21 CO -0.17 -0.04 0.17 0.28 0.00 0.00 0.00 179.25 179.49 3dr6 h VAL 22 N 0.56 0.95 -0.07 0.00 2.07 -0.67 -1.96 116.25 117.12 3dr6 h VAL 22 Ca 0.22 -0.12 -0.18 0.00 0.82 0.00 0.00 66.70 67.44 3dr6 h VAL 22 Cb 0.09 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3dr6 h VAL 22 CO -0.13 0.06 -0.72 -0.07 0.02 0.00 0.00 177.57 176.73 3dr6 h LEU 23 N 0.35 0.44 -0.72 2.57 3.38 -0.77 -3.41 115.31 117.15 3dr6 h LEU 23 Ca 0.16 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3dr6 h LEU 23 Cb 0.10 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3dr6 h LEU 23 CO -0.13 1.02 -0.01 1.41 0.09 0.00 0.00 178.44 180.82 3dr6 n HIS 24 N -3.83 0.00 -4.28 1.13 8.25 -0.21 -5.04 115.22 111.23 3dr6 n HIS 24 Ca -0.04 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.24 3dr6 n HIS 24 Cb 0.70 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.71 3dr6 n HIS 24 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3dr6 s THR 25 N -0.37 1.49 -2.59 1.59 -1.32 -0.75 -5.01 115.64 108.69 3dr6 s THR 25 Ca 0.01 -1.94 0.24 0.00 -1.21 0.00 0.00 61.69 58.79 3dr6 s THR 25 Cb 0.01 -1.77 0.40 0.00 -1.51 0.00 0.00 72.50 69.63 3dr6 s THR 25 CO 0.02 -0.50 1.49 0.00 -2.21 0.00 0.00 174.62 173.41 3dr6 n ALA 26 N 0.13 2.50 0.12 11.08 0.00 -1.26 -4.42 120.51 128.66 3dr6 n ALA 26 Ca -0.12 -0.64 -0.03 0.00 0.00 0.00 0.00 53.44 52.64 3dr6 n ALA 26 Cb 0.58 -0.99 0.12 0.00 0.00 0.00 0.00 19.45 19.16 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 4.42 0.85 -3.26 0.00 0.00 -1.95 -3.43 119.26 115.90 3dr6 h ALA 27 Ca 0.00 -0.61 -0.66 0.00 0.00 0.00 0.00 54.91 53.64 3dr6 h ALA 27 Cb 0.74 -0.10 -0.16 0.00 0.00 0.00 0.00 17.79 18.27 3dr6 h ALA 27 CO 0.00 0.84 -0.60 -1.50 0.00 0.00 0.00 179.25 177.98 3dr6 s ILE 28 N -3.49 4.45 -0.37 0.00 2.07 -1.26 -4.57 121.20 118.02 3dr6 s ILE 28 Ca -0.01 -0.18 0.05 0.00 -1.41 0.00 0.00 60.65 59.10 3dr6 s ILE 28 Cb 0.12 -2.92 0.46 0.00 0.13 0.00 0.00 42.46 40.25 3dr6 s ILE 28 CO 0.78 0.55 1.48 0.79 -1.91 0.00 0.00 174.94 176.63 3dr6 n TRP 29 N 2.72 1.72 -4.24 3.50 7.02 -1.26 -4.84 117.44 122.06 3dr6 n TRP 29 Ca -0.18 -1.02 -0.21 0.00 -1.02 0.00 0.00 57.50 55.07 3dr6 n TRP 29 Cb 0.53 -0.57 -0.12 0.00 -2.42 0.00 0.00 31.31 28.73 3dr6 n TRP 29 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 3dr6 s ASN 30 N -0.47 2.15 -0.04 -0.99 0.02 -1.26 -5.06 114.94 109.29 3dr6 s ASN 30 Ca 0.36 -0.69 0.06 0.00 -1.02 0.00 0.00 52.86 51.56 3dr6 s ASN 30 Cb 0.29 -0.10 0.09 0.00 0.02 0.00 0.00 41.25 41.55 3dr6 s ASN 30 CO 0.08 -0.03 0.96 -0.90 0.02 0.00 0.00 177.10 177.24 3dr6 n ASP 31 N 1.03 0.93 -4.33 -1.22 5.75 -1.26 -4.65 116.55 112.80 3dr6 n ASP 31 Ca -0.19 -2.15 -0.34 0.00 -0.01 0.00 0.00 54.79 52.10 3dr6 n ASP 31 Cb 0.54 -0.21 -0.14 0.00 -1.03 0.00 0.00 41.12 40.28 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 -0.97 3.38 0.62 0.11 0.52 -1.26 -4.90 118.95 116.45 3dr6 s ARG 32 Ca 0.09 -0.65 -0.17 0.00 -0.52 0.00 0.00 55.73 54.48 3dr6 s ARG 32 Cb 0.08 -2.84 -0.02 0.00 0.52 0.00 0.00 34.95 32.69 3dr6 s ARG 32 CO 0.01 -0.03 1.17 0.95 0.02 0.00 0.00 175.30 177.42 3dr6 s THR 33 N 1.00 2.82 0.27 0.02 -4.23 -1.26 -5.01 115.64 109.25 3dr6 s THR 33 Ca -0.01 0.46 0.04 0.00 -1.18 0.00 0.00 61.69 61.01 3dr6 s THR 33 Cb -0.15 -3.10 -0.06 0.00 1.34 0.00 0.00 72.50 70.54 3dr6 s THR 33 CO -0.01 -0.16 0.01 0.68 -0.54 0.00 0.00 174.62 174.60 3dr6 s VAL 34 N -1.87 1.20 0.46 2.29 -7.23 -1.26 -5.12 120.40 108.87 3dr6 s VAL 34 Ca 0.74 -2.04 0.06 0.00 -1.81 0.00 0.00 61.98 58.92 3dr6 s VAL 34 Cb -0.27 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.18 3dr6 s VAL 34 CO 0.36 -0.21 0.63 1.51 -0.31 0.00 0.00 175.10 177.07 3dr6 s ASP 35 N -3.39 5.56 0.25 4.85 1.47 -1.26 -4.96 116.67 119.20 3dr6 s ASP 35 Ca 0.31 -0.28 -0.04 0.00 1.18 0.00 0.00 52.55 53.72 3dr6 s ASP 35 Cb 0.06 -0.76 0.35 0.00 -0.34 0.00 0.00 42.92 42.23 3dr6 s ASP 35 CO 0.12 -0.86 1.88 0.74 0.68 0.00 0.00 175.17 177.73 3dr6 h THR 36 N 0.48 1.12 -0.88 2.11 2.02 -1.93 -1.87 112.91 113.95 3dr6 h THR 36 Ca -0.41 -0.40 0.11 0.00 0.77 0.00 0.00 66.41 66.48 3dr6 h THR 36 Cb 1.28 -0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 3dr6 h THR 36 CO 0.48 0.21 0.57 0.44 0.37 0.00 0.00 175.52 177.58 3dr6 h ASP 37 N 1.16 0.75 -0.21 4.18 3.32 -1.95 0.21 116.42 123.88 3dr6 h ASP 37 Ca 0.40 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.47 3dr6 h ASP 37 Cb 0.09 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3dr6 h ASP 37 CO -0.15 0.42 0.10 -1.13 -1.72 0.00 0.00 179.24 176.76 3dr6 h ASN 38 N 0.82 0.27 0.07 6.45 -0.73 -1.73 -0.67 115.58 120.06 3dr6 h ASN 38 Ca 0.42 -0.13 -0.13 0.00 1.87 0.00 0.00 56.30 58.33 3dr6 h ASN 38 Cb 0.49 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.00 3dr6 h ASN 38 CO -0.18 0.33 -0.43 0.03 -0.37 0.00 0.00 177.43 176.81 3dr6 h ARG 39 N 0.20 0.45 -0.23 6.67 2.47 -1.30 -0.33 114.38 122.31 3dr6 h ARG 39 Ca 0.07 -0.23 0.05 0.00 -1.26 0.00 0.00 59.98 58.61 3dr6 h ARG 39 Cb 0.13 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.40 3dr6 h ARG 39 CO -0.01 0.80 -0.10 -0.07 0.56 0.00 0.00 179.97 181.15 3dr6 h LEU 40 N 0.37 -0.33 -0.39 3.04 3.38 -0.45 0.18 115.31 121.11 3dr6 h LEU 40 Ca 0.03 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3dr6 h LEU 40 Cb 0.90 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3dr6 h LEU 40 CO 0.08 -0.13 0.25 0.00 0.09 0.00 0.00 178.44 178.73 3dr6 h ALA 41 N 1.15 0.49 -0.55 1.53 0.00 -0.89 -0.32 119.26 120.67 3dr6 h ALA 41 Ca 0.12 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3dr6 h ALA 41 Cb 0.24 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 3dr6 h ALA 41 CO -0.27 -0.04 0.20 2.35 0.00 0.00 0.00 179.25 181.49 3dr6 h TRP 42 N 0.52 0.35 -0.40 0.00 7.01 -0.81 -0.31 115.95 122.31 3dr6 h TRP 42 Ca 0.14 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 3dr6 h TRP 42 Cb -0.04 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 3dr6 h TRP 42 CO -0.04 0.10 0.22 -0.92 -2.79 0.00 0.00 178.44 175.01 3dr6 h TYR 43 N 0.38 0.55 -0.33 2.65 3.20 -0.20 -2.45 116.97 120.76 3dr6 h TYR 43 Ca 0.27 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 3dr6 h TYR 43 Cb 0.31 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 3dr6 h TYR 43 CO -0.17 0.42 -0.13 0.93 -1.64 0.00 0.00 178.16 177.57 3dr6 h GLU 44 N 0.51 0.58 -0.58 1.82 4.39 -0.66 -0.49 114.58 120.16 3dr6 h GLU 44 Ca 0.14 -0.18 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 3dr6 h GLU 44 Cb 0.05 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 3dr6 h GLU 44 CO -0.02 0.70 0.10 0.00 -1.16 0.00 0.00 179.01 178.63 3dr6 h ALA 45 N 1.33 1.07 -0.28 3.43 0.00 -0.95 -1.59 119.26 122.26 3dr6 h ALA 45 Ca 0.09 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3dr6 h ALA 45 Cb 0.54 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3dr6 h ALA 45 CO 0.03 0.60 -0.10 0.00 0.00 0.00 0.00 179.25 179.79 3dr6 h ARG 46 N 0.89 0.57 -0.59 0.00 2.47 -0.96 -3.08 114.38 113.68 3dr6 h ARG 46 Ca 0.18 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 3dr6 h ARG 46 Cb 0.39 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.65 3dr6 h ARG 46 CO 0.01 0.79 0.38 1.96 0.56 0.00 0.00 179.97 183.67 3dr6 h GLN 47 N 0.32 0.77 -0.32 0.04 1.08 -0.95 -1.27 115.11 114.78 3dr6 h GLN 47 Ca 0.07 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.16 3dr6 h GLN 47 Cb 0.60 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 3dr6 h GLN 47 CO 0.03 0.51 -0.04 1.25 -0.95 0.00 0.00 178.83 179.64 3dr6 h LEU 48 N 0.79 0.48 -0.11 1.46 5.85 -1.24 -1.98 115.31 120.57 3dr6 h LEU 48 Ca 0.21 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3dr6 h LEU 48 Cb -0.09 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.82 3dr6 h LEU 48 CO -0.05 0.58 -0.04 0.18 -0.34 0.00 0.00 178.44 178.77 3dr6 n LEU 49 N -4.26 0.21 -1.14 2.25 4.77 -0.80 -4.91 117.00 113.13 3dr6 n LEU 49 Ca 0.01 0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 3dr6 n LEU 49 Cb 0.27 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3dr6 n LEU 49 CO 0.39 0.04 -0.14 0.61 -1.33 0.00 0.00 177.39 176.96 3dr6 n GLY 50 N 1.23 0.98 3.88 -0.72 0.00 -0.74 -5.02 105.19 104.80 3dr6 n GLY 50 Ca 0.16 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.53 3.52 0.27 1.61 2.02 -0.55 -5.02 117.35 116.68 3dr6 s TYR 51 Ca 0.00 0.74 -0.29 0.00 -0.37 0.00 0.00 57.07 57.15 3dr6 s TYR 51 Cb 0.00 -2.13 -0.09 0.00 -0.40 0.00 0.00 41.96 39.33 3dr6 s TYR 51 CO 0.00 0.45 0.99 -1.25 -1.57 0.00 0.00 175.55 174.17 3dr6 s PRO 52 N -2.31 4.72 -0.19 -1.71 0.04 -1.26 -4.21 135.00 130.07 3dr6 s PRO 52 Ca 0.38 1.56 0.01 0.00 0.04 0.00 0.00 61.00 62.99 3dr6 s PRO 52 Cb -0.13 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 31.30 3dr6 s PRO 52 CO 0.21 0.36 -0.18 0.08 0.04 0.00 0.00 177.00 177.51 3dr6 s VAL 53 N -1.27 2.04 0.11 -0.36 1.01 -1.26 -3.63 120.40 117.04 3dr6 s VAL 53 Ca 0.44 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 61.45 3dr6 s VAL 53 Cb -0.26 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3dr6 s VAL 53 CO 0.33 0.44 -0.07 -0.76 0.00 0.00 0.00 175.10 175.04 3dr6 s LEU 54 N 1.27 3.16 0.07 3.92 1.43 0.77 -0.33 118.68 128.97 3dr6 s LEU 54 Ca 0.03 -0.35 0.07 0.00 -1.03 0.00 0.00 54.13 52.84 3dr6 s LEU 54 Cb -0.14 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 3dr6 s LEU 54 CO -0.12 0.16 -0.18 0.68 0.23 0.00 0.00 176.35 177.13 3dr6 s VAL 55 N -1.32 1.43 0.23 -1.59 -7.23 -0.03 -1.28 120.40 110.61 3dr6 s VAL 55 Ca 0.23 -1.31 -0.14 0.00 -1.81 0.00 0.00 61.98 58.96 3dr6 s VAL 55 Cb -0.11 -1.30 -0.08 0.00 0.56 0.00 0.00 36.38 35.45 3dr6 s VAL 55 CO 0.15 -0.04 0.62 -0.94 -0.31 0.00 0.00 175.10 174.59 3dr6 s SER 56 N -1.57 6.78 0.00 4.85 1.04 -0.56 -1.37 113.70 122.88 3dr6 s SER 56 Ca 0.03 1.13 0.01 0.00 0.48 0.00 0.00 55.95 57.61 3dr6 s SER 56 Cb -0.09 -2.31 -0.01 0.00 0.10 0.00 0.00 66.02 63.71 3dr6 s SER 56 CO 0.03 -0.04 -0.04 -0.70 0.98 0.00 0.00 173.24 173.46 3dr6 s GLU 57 N -2.50 0.34 -0.11 4.02 2.12 0.12 -1.13 118.70 121.56 3dr6 s GLU 57 Ca 0.46 -0.21 -0.04 0.00 0.36 0.00 0.00 54.97 55.54 3dr6 s GLU 57 Cb -0.13 -0.29 0.06 0.00 0.26 0.00 0.00 34.13 34.03 3dr6 s GLU 57 CO 0.20 0.08 0.20 -2.00 -0.54 0.00 0.00 175.26 173.19 3dr6 s GLU 58 N -0.28 0.08 -1.46 4.30 2.12 -0.38 -1.53 118.70 121.55 3dr6 s GLU 58 Ca -0.00 0.62 -0.10 0.00 0.36 0.00 0.00 54.97 55.85 3dr6 s GLU 58 Cb -0.03 -0.23 0.05 0.00 0.26 0.00 0.00 34.13 34.19 3dr6 s GLU 58 CO -0.00 -0.32 0.78 0.09 -0.54 0.00 0.00 175.26 175.27 3dr6 n ASN 59 N 5.34 -5.08 0.00 -1.70 5.03 -1.26 -1.29 115.26 116.30 3dr6 n ASN 59 Ca -0.05 -0.52 0.00 0.00 0.87 0.00 0.00 54.58 54.88 3dr6 n ASN 59 Cb 0.50 -4.09 0.00 0.00 -1.02 0.00 0.00 39.78 35.17 3dr6 n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dr6 n GLY 60 N -1.55 1.61 3.75 7.41 0.00 -1.26 -5.02 105.19 110.12 3dr6 n GLY 60 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.35 5.29 -0.20 1.61 1.01 -0.41 -5.05 120.40 119.29 3dr6 s VAL 61 Ca 0.00 0.58 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 3dr6 s VAL 61 Cb 0.00 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 3dr6 s VAL 61 CO 0.00 0.42 1.33 -0.69 0.00 0.00 0.00 175.10 176.16 3dr6 s VAL 62 N 0.24 4.14 -1.12 2.92 1.01 -1.26 -1.25 120.40 125.08 3dr6 s VAL 62 Ca 0.18 1.35 0.13 0.00 0.00 0.00 0.00 61.98 63.64 3dr6 s VAL 62 Cb -0.13 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 3dr6 s VAL 62 CO 0.05 -0.25 0.72 0.35 0.00 0.00 0.00 175.10 175.97 3dr6 n THR 63 N 5.72 0.00 -3.62 3.92 -2.24 -0.28 -4.89 114.28 112.89 3dr6 n THR 63 Ca 0.15 -0.34 -0.01 0.00 -2.27 0.00 0.00 64.05 61.58 3dr6 n THR 63 Cb 0.45 1.13 -0.02 0.00 -2.10 0.00 0.00 70.33 69.80 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 -1.72 -0.27 0.07 3.38 0.00 -1.25 -0.62 107.32 106.91 3dr6 s GLY 64 Ca 0.10 1.67 -0.04 0.00 0.00 0.00 0.00 44.72 46.45 3dr6 s GLY 64 CO 0.36 0.52 0.06 -2.52 0.00 0.00 0.00 173.10 171.52 3dr6 s TYR 65 N -2.07 0.41 -0.11 1.90 1.13 -0.35 -1.50 117.35 116.77 3dr6 s TYR 65 Ca 0.12 -0.91 -0.09 0.00 -1.41 0.00 0.00 57.07 54.78 3dr6 s TYR 65 Cb 0.01 -0.27 0.03 0.00 -1.10 0.00 0.00 41.96 40.63 3dr6 s TYR 65 CO -0.03 -0.45 0.29 0.00 -2.51 0.00 0.00 175.55 172.84 3dr6 s ALA 66 N -3.91 -0.71 0.22 9.51 0.00 -0.40 -1.38 121.76 125.09 3dr6 s ALA 66 Ca 0.08 0.88 -0.13 0.00 0.00 0.00 0.00 51.96 52.79 3dr6 s ALA 66 Cb 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.67 3dr6 s ALA 66 CO -0.09 -0.15 0.44 0.45 0.00 0.00 0.00 175.76 176.41 3dr6 s SER 67 N 0.39 -0.10 0.06 0.00 0.15 -0.74 -0.16 113.70 113.30 3dr6 s SER 67 Ca -0.02 -0.82 0.01 0.00 0.70 0.00 0.00 55.95 55.82 3dr6 s SER 67 Cb -0.04 0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 64.79 3dr6 s SER 67 CO -0.02 -1.07 -0.06 0.72 1.20 0.00 0.00 173.24 174.02 3dr6 s PHE 68 N -3.98 0.65 0.10 3.44 -0.12 -1.24 -0.55 117.98 116.28 3dr6 s PHE 68 Ca 0.19 -0.79 0.02 0.00 -0.05 0.00 0.00 56.93 56.29 3dr6 s PHE 68 Cb 0.00 -0.41 -0.01 0.00 -0.63 0.00 0.00 43.02 41.98 3dr6 s PHE 68 CO 0.05 -0.19 0.06 0.41 -0.05 0.00 0.00 175.22 175.49 3dr6 n GLY 69 N 0.62 3.80 3.76 1.99 0.00 -0.75 -4.63 105.19 109.99 3dr6 n GLY 69 Ca -0.17 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 3dr6 n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dr6 s ASP 70 N -1.64 6.58 0.04 1.61 1.01 -1.26 -1.18 116.67 121.83 3dr6 s ASP 70 Ca 0.08 2.80 -0.24 0.00 0.71 0.00 0.00 52.55 55.90 3dr6 s ASP 70 Cb 0.00 -2.64 -0.18 0.00 1.01 0.00 0.00 42.92 41.12 3dr6 s ASP 70 CO 0.06 -0.72 1.51 -0.25 0.21 0.00 0.00 175.17 175.98 3dr6 h TRP 71 N 4.02 0.01 -3.80 4.23 7.01 -1.76 -3.41 115.95 122.25 3dr6 h TRP 71 Ca -0.48 -0.00 -0.24 0.00 2.11 0.00 0.00 58.89 60.28 3dr6 h TRP 71 Cb 1.23 -0.00 -0.15 0.00 -2.10 0.00 0.00 29.16 28.13 3dr6 h TRP 71 CO 0.57 0.24 -0.70 1.03 -2.79 0.00 0.00 178.44 176.79 3dr6 s ARG 72 N -5.24 0.82 -0.84 2.65 0.52 -1.26 -4.90 118.95 110.70 3dr6 s ARG 72 Ca -0.14 -1.29 -0.03 0.00 -0.52 0.00 0.00 55.73 53.75 3dr6 s ARG 72 Cb 0.04 -0.24 0.23 0.00 0.52 0.00 0.00 34.95 35.50 3dr6 s ARG 72 CO 0.67 -0.00 2.24 0.43 0.02 0.00 0.00 175.30 178.66 3dr6 n SER 73 N 0.09 7.28 -3.91 0.23 7.64 -1.26 -4.82 113.62 118.87 3dr6 n SER 73 Ca -0.13 -3.54 -0.15 0.00 1.01 0.00 0.00 58.87 56.06 3dr6 n SER 73 Cb 0.60 -1.17 -0.14 0.00 -1.01 0.00 0.00 64.21 62.48 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 -3.09 0.27 0.56 1.43 0.08 -1.26 -5.05 117.98 110.93 3dr6 s PHE 74 Ca 0.52 -0.05 0.25 0.00 0.12 0.00 0.00 56.93 57.77 3dr6 s PHE 74 Cb 0.34 -0.20 1.51 0.00 -0.57 0.00 0.00 43.02 44.10 3dr6 s PHE 74 CO -0.26 -0.02 2.10 -0.44 -0.10 0.00 0.00 175.22 176.50 3dr6 h ASP 75 N 6.21 0.00 0.36 1.36 3.32 -2.03 -1.78 116.42 123.85 3dr6 h ASP 75 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3dr6 h ASP 75 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3dr6 h ASP 75 CO 0.50 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.63 3dr6 n GLY 76 N -1.49 -1.07 1.62 2.75 0.00 -1.26 -2.36 105.19 103.39 3dr6 n GLY 76 Ca 0.02 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.27 3dr6 n GLY 76 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dr6 n PHE 77 N -2.26 1.66 0.31 1.61 3.01 -0.67 -4.69 117.46 116.44 3dr6 n PHE 77 Ca 0.00 -0.69 0.06 0.00 1.01 0.00 0.00 57.45 57.84 3dr6 n PHE 77 Cb 0.13 -0.36 0.26 0.00 -0.01 0.00 0.00 39.48 39.50 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 0.73 0.04 -0.21 -1.08 1.85 -0.99 -0.66 116.66 116.34 3dr6 n ARG 78 Ca 0.26 0.38 0.11 0.00 -1.00 0.00 0.00 57.85 57.60 3dr6 n ARG 78 Cb 1.01 -1.59 0.22 0.00 -1.05 0.00 0.00 32.46 31.05 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 -1.66 0.55 -5.13 2.89 4.02 -1.26 -4.96 117.16 111.62 3dr6 n TYR 79 Ca 0.02 -0.30 -0.32 0.00 -0.01 0.00 0.00 57.90 57.29 3dr6 n TYR 79 Cb 0.12 -0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.27 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 -1.33 2.31 0.17 -0.72 2.01 0.17 -0.18 115.64 118.07 3dr6 s THR 80 Ca 0.38 -0.95 0.07 0.00 0.31 0.00 0.00 61.69 61.50 3dr6 s THR 80 Cb 0.22 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 3dr6 s THR 80 CO 0.30 0.56 -0.15 0.68 -0.69 0.00 0.00 174.62 175.32 3dr6 s VAL 81 N 0.13 1.61 -0.03 3.82 -7.23 -0.61 -2.50 120.40 115.60 3dr6 s VAL 81 Ca -0.11 -2.02 0.05 0.00 -1.81 0.00 0.00 61.98 58.09 3dr6 s VAL 81 Cb -0.16 -1.86 -0.01 0.00 0.56 0.00 0.00 36.38 34.91 3dr6 s VAL 81 CO 0.06 -0.51 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.46 3dr6 s GLU 82 N -3.24 1.72 0.50 4.82 2.12 -0.32 -0.21 118.70 124.09 3dr6 s GLU 82 Ca 0.17 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.83 3dr6 s GLU 82 Cb -0.02 -1.58 0.01 0.00 0.26 0.00 0.00 34.13 32.80 3dr6 s GLU 82 CO 0.05 0.35 0.72 -3.38 -0.54 0.00 0.00 175.26 172.46 3dr6 s HIS 83 N -0.24 3.08 -0.26 5.30 -3.43 -1.19 -1.81 115.29 116.74 3dr6 s HIS 83 Ca 0.02 0.16 -0.04 0.00 -0.80 0.00 0.00 55.06 54.40 3dr6 s HIS 83 Cb -0.09 -2.51 0.09 0.00 -1.43 0.00 0.00 32.58 28.63 3dr6 s HIS 83 CO 0.01 -0.59 0.11 -1.12 -2.00 0.00 0.00 174.74 171.15 3dr6 s SER 84 N -4.30 3.35 -0.15 7.38 0.01 0.28 -4.94 113.70 115.33 3dr6 s SER 84 Ca 0.52 -1.19 0.01 0.00 1.31 0.00 0.00 55.95 56.60 3dr6 s SER 84 Cb -0.10 -0.42 0.02 0.00 0.21 0.00 0.00 66.02 65.73 3dr6 s SER 84 CO 0.38 -0.41 -0.16 -0.69 0.41 0.00 0.00 173.24 172.77 3dr6 s VAL 85 N 2.02 1.70 0.01 3.43 1.01 -1.26 -1.80 120.40 125.51 3dr6 s VAL 85 Ca 0.07 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.34 3dr6 s VAL 85 Cb -0.16 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 3dr6 s VAL 85 CO -0.28 0.48 -0.03 -0.31 0.00 0.00 0.00 175.10 174.95 3dr6 s TYR 86 N 1.37 0.28 -0.07 5.22 2.02 -0.48 -5.02 117.35 120.68 3dr6 s TYR 86 Ca 0.04 -0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.62 3dr6 s TYR 86 Cb -0.13 -0.18 -0.02 0.00 -0.40 0.00 0.00 41.96 41.23 3dr6 s TYR 86 CO -0.10 -0.03 -0.15 0.08 -1.57 0.00 0.00 175.55 173.78 3dr6 s VAL 87 N -0.36 3.01 0.27 0.71 1.01 -1.26 -1.21 120.40 122.57 3dr6 s VAL 87 Ca -0.02 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 3dr6 s VAL 87 Cb -0.03 -2.19 -0.12 0.00 0.00 0.00 0.00 36.38 34.04 3dr6 s VAL 87 CO -0.00 0.57 1.53 1.57 0.00 0.00 0.00 175.10 178.77 3dr6 n HIS 88 N 2.61 2.59 0.18 5.22 -0.00 0.21 -4.87 115.22 121.17 3dr6 n HIS 88 Ca -0.17 0.32 0.18 0.00 0.46 0.00 0.00 57.72 58.50 3dr6 n HIS 88 Cb 0.52 -2.55 0.81 0.00 -0.12 0.00 0.00 29.99 28.66 3dr6 n HIS 88 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3dr6 h PRO 89 N 4.59 0.00 -0.04 1.57 0.13 -1.92 0.78 132.00 137.10 3dr6 h PRO 89 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3dr6 h PRO 89 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3dr6 h PRO 89 CO 0.78 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.55 3dr6 n ALA 90 N -2.31 2.59 -1.75 -0.56 0.00 -1.26 -4.07 120.51 113.14 3dr6 n ALA 90 Ca 0.03 -0.39 0.06 0.00 0.00 0.00 0.00 53.44 53.13 3dr6 n ALA 90 Cb 0.39 -1.23 0.13 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.09 0.00 -1.87 0.00 8.25 0.26 -5.07 115.22 116.70 3dr6 n HIS 91 Ca 0.19 -0.99 -0.30 0.00 -0.26 0.00 0.00 57.72 56.36 3dr6 n HIS 91 Cb 0.29 -0.18 0.03 0.00 1.12 0.00 0.00 29.99 31.25 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 -2.02 3.12 -1.18 -0.41 -0.21 -1.23 -4.08 119.66 113.65 3dr6 s GLN 92 Ca 0.32 0.57 0.00 0.00 0.02 0.00 0.00 55.36 56.27 3dr6 s GLN 92 Cb 0.32 -2.04 0.00 0.00 1.00 0.00 0.00 33.01 32.28 3dr6 s GLN 92 CO -0.07 -0.87 0.00 0.41 -2.12 0.00 0.00 175.29 172.64 3dr6 n GLY 93 N -2.90 1.23 0.72 3.09 0.00 -1.26 -4.89 105.19 101.18 3dr6 n GLY 93 Ca 0.07 -0.45 0.06 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.55 2.89 -1.44 1.61 5.02 -1.26 -4.97 118.16 117.46 3dr6 n LYS 94 Ca -0.11 -2.17 -0.14 0.00 -2.02 0.00 0.00 58.31 53.88 3dr6 n LYS 94 Cb 0.38 -1.34 -0.06 0.00 -0.02 0.00 0.00 35.03 33.99 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 0.53 1.35 0.24 0.72 0.00 -1.26 -4.93 105.19 101.83 3dr6 n GLY 95 Ca 0.13 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 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 0.82 -0.61 0.99 3.38 -1.93 -2.68 115.31 115.27 3dr6 h LEU 96 Ca -0.28 -0.39 0.12 0.00 0.09 0.00 0.00 57.88 57.42 3dr6 h LEU 96 Cb 0.91 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.34 3dr6 h LEU 96 CO 0.41 1.03 0.07 1.23 0.09 0.00 0.00 178.44 181.27 3dr6 h GLY 97 N 0.60 0.72 0.96 0.83 0.00 -1.95 0.13 103.07 104.37 3dr6 h GLY 97 Ca 0.09 0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 3dr6 h GLY 97 CO 0.05 -0.16 0.07 -0.09 0.00 0.00 0.00 176.54 176.41 3dr6 h ARG 98 N 0.19 0.75 -0.26 4.80 2.43 -1.95 -0.70 114.38 119.65 3dr6 h ARG 98 Ca 0.32 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3dr6 h ARG 98 Cb 0.50 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3dr6 h ARG 98 CO -0.46 0.77 0.06 0.87 -1.51 0.00 0.00 179.97 179.70 3dr6 h LYS 99 N 0.62 0.41 -0.22 0.20 1.57 -1.09 -1.25 116.57 116.82 3dr6 h LYS 99 Ca 0.14 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3dr6 h LYS 99 Cb 0.39 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3dr6 h LYS 99 CO 0.01 0.51 0.12 -0.07 -0.57 0.00 0.00 179.45 179.46 3dr6 h LEU 100 N 0.24 0.27 -0.54 2.94 3.38 -0.96 -1.88 115.31 118.76 3dr6 h LEU 100 Ca 0.08 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3dr6 h LEU 100 Cb 0.29 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3dr6 h LEU 100 CO 0.00 0.26 0.23 0.25 0.09 0.00 0.00 178.44 179.27 3dr6 h LEU 101 N 0.25 0.74 -0.52 1.67 5.85 -1.07 -0.44 115.31 121.79 3dr6 h LEU 101 Ca 0.08 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.68 3dr6 h LEU 101 Cb 0.05 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 3dr6 h LEU 101 CO -0.01 0.70 0.26 0.28 -0.34 0.00 0.00 178.44 179.33 3dr6 h SER 102 N 0.74 0.36 -0.49 1.25 0.02 -1.13 -0.43 113.55 113.87 3dr6 h SER 102 Ca 0.18 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 3dr6 h SER 102 Cb 0.18 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3dr6 h SER 102 CO -0.02 0.25 0.02 -0.09 -1.14 0.00 0.00 176.83 175.86 3dr6 h ARG 103 N 0.50 0.90 -0.45 3.45 9.65 -1.04 -2.76 114.38 124.63 3dr6 h ARG 103 Ca 0.23 -0.25 -0.09 0.00 -1.10 0.00 0.00 59.98 58.78 3dr6 h ARG 103 Cb 0.16 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 3dr6 h ARG 103 CO -0.17 0.88 -0.07 1.25 2.80 0.00 0.00 179.97 184.66 3dr6 h LEU 104 N 0.84 0.76 -0.29 3.80 5.85 -0.41 -1.82 115.31 124.04 3dr6 h LEU 104 Ca 0.16 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3dr6 h LEU 104 Cb 0.47 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3dr6 h LEU 104 CO 0.02 0.87 0.16 0.40 -0.34 0.00 0.00 178.44 179.55 3dr6 h ILE 105 N 0.71 1.02 -0.61 4.05 2.04 -0.91 0.13 117.51 123.95 3dr6 h ILE 105 Ca 0.13 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 65.96 3dr6 h ILE 105 Cb 0.54 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 37.21 3dr6 h ILE 105 CO 0.03 0.06 0.25 0.44 0.00 0.00 0.00 178.15 178.93 3dr6 h ASP 106 N 0.33 0.27 -0.43 1.72 3.32 -1.18 -1.73 116.42 118.74 3dr6 h ASP 106 Ca 0.11 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 3dr6 h ASP 106 Cb 0.01 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3dr6 h ASP 106 CO -0.06 0.17 0.06 -0.33 -1.72 0.00 0.00 179.24 177.36 3dr6 h GLU 107 N 0.44 0.79 -0.66 3.56 4.39 -0.75 -0.59 114.58 121.76 3dr6 h GLU 107 Ca 0.30 -0.18 -0.07 0.00 0.34 0.00 0.00 59.36 59.75 3dr6 h GLU 107 Cb 0.34 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 3dr6 h GLU 107 CO -0.28 0.75 0.16 0.00 -1.16 0.00 0.00 179.01 178.48 3dr6 h ALA 108 N 1.32 0.87 -0.33 3.43 0.00 -0.38 0.40 119.26 124.58 3dr6 h ALA 108 Ca 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3dr6 h ALA 108 Cb 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3dr6 h ALA 108 CO 0.01 0.59 0.14 0.00 0.00 0.00 0.00 179.25 180.00 3dr6 h ARG 109 N 0.99 0.48 -0.53 0.00 3.08 -1.02 -1.85 114.38 115.52 3dr6 h ARG 109 Ca 0.21 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.22 3dr6 h ARG 109 Cb 0.37 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 3dr6 h ARG 109 CO 0.00 0.46 0.35 0.00 -1.07 0.00 0.00 179.97 179.71 3dr6 h ARG 110 N 0.38 0.55 0.00 0.04 3.08 -0.73 -0.19 114.38 117.52 3dr6 h ARG 110 Ca 0.11 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3dr6 h ARG 110 Cb 0.15 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3dr6 h ARG 110 CO -0.01 0.36 0.00 0.00 -1.07 0.00 0.00 179.97 179.25 3dr6 n GLY 112 N 0.67 0.46 3.78 0.00 0.00 -0.08 -5.02 105.19 105.00 3dr6 n GLY 112 Ca 0.20 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.97 3.66 -0.12 1.61 -0.14 -0.73 -4.98 119.74 118.06 3dr6 s LYS 113 Ca 0.00 1.64 0.06 0.00 -1.36 0.00 0.00 55.97 56.31 3dr6 s LYS 113 Cb 0.00 -2.24 -0.24 0.00 -1.68 0.00 0.00 37.83 33.68 3dr6 s LYS 113 CO 0.00 -0.60 0.35 1.58 -0.76 0.00 0.00 175.35 175.92 3dr6 n HIS 114 N -0.80 0.79 -3.05 3.18 -0.00 0.74 -4.63 115.22 111.46 3dr6 n HIS 114 Ca 0.09 0.22 0.00 0.00 -0.00 0.00 0.00 57.72 58.03 3dr6 n HIS 114 Cb 0.50 -1.12 0.00 0.00 -0.00 0.00 0.00 29.99 29.36 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 -3.17 0.00 -3.63 3.57 0.31 -0.92 -0.24 118.33 114.25 3dr6 n VAL 115 Ca -0.28 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 63.98 3dr6 n VAL 115 Cb 1.06 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.93 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 -1.26 0.00 -0.10 2.52 1.01 0.70 -1.57 120.40 121.70 3dr6 s VAL 117 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.00 3dr6 s VAL 117 Cb 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.39 3dr6 s VAL 117 CO 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 175.10 174.95 3dr6 s ALA 118 N -0.28 1.61 -0.49 5.51 0.00 -1.26 -3.15 121.76 123.70 3dr6 s ALA 118 Ca 0.04 -0.67 -0.17 0.00 0.00 0.00 0.00 51.96 51.16 3dr6 s ALA 118 Cb -0.04 -0.78 0.06 0.00 0.00 0.00 0.00 23.12 22.37 3dr6 s ALA 118 CO -0.08 -0.04 0.52 0.20 0.00 0.00 0.00 175.76 176.36 3dr6 s GLY 119 N 0.92 1.90 -0.13 0.00 0.00 -1.26 -4.26 107.32 104.49 3dr6 s GLY 119 Ca -0.08 -1.90 -0.02 0.00 0.00 0.00 0.00 44.72 42.71 3dr6 s GLY 119 CO -0.00 1.27 -0.06 -0.42 0.00 0.00 0.00 173.10 173.90 3dr6 s ILE 120 N 2.17 3.76 0.19 0.90 1.01 0.74 -4.92 121.20 125.03 3dr6 s ILE 120 Ca 0.10 -0.42 -0.32 0.00 0.00 0.00 0.00 60.65 60.01 3dr6 s ILE 120 Cb -0.21 -2.61 -0.11 0.00 0.01 0.00 0.00 42.46 39.54 3dr6 s ILE 120 CO 0.10 0.53 1.64 -0.70 0.00 0.00 0.00 174.94 176.50 3dr6 s GLU 121 N 0.03 4.17 0.53 2.79 -6.30 -1.26 -0.35 118.70 118.31 3dr6 s GLU 121 Ca -0.00 2.48 0.28 0.00 -2.50 0.00 0.00 54.97 55.22 3dr6 s GLU 121 Cb -0.14 -3.11 1.51 0.00 0.00 0.00 0.00 34.13 32.39 3dr6 s GLU 121 CO 0.03 -0.67 2.10 0.77 0.02 0.00 0.00 175.26 177.51 3dr6 h SER 122 N 6.73 0.00 0.52 -1.70 0.02 -1.41 -0.99 113.55 116.72 3dr6 h SER 122 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3dr6 h SER 122 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3dr6 h SER 122 CO 0.93 0.10 -0.06 0.00 -1.14 0.00 0.00 176.83 176.66 3dr6 n GLN 123 N -3.67 0.48 -1.75 3.45 1.13 -1.26 -4.55 117.38 111.20 3dr6 n GLN 123 Ca -0.02 -0.08 -0.42 0.00 -1.94 0.00 0.00 57.00 54.54 3dr6 n GLN 123 Cb 0.21 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.06 3dr6 n GLN 123 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3dr6 n ASN 124 N -1.19 3.81 -0.09 1.08 2.85 -0.38 -4.74 115.26 116.60 3dr6 n ASN 124 Ca 0.14 -2.83 0.13 0.00 -0.11 0.00 0.00 54.58 51.91 3dr6 n ASN 124 Cb 0.26 -1.61 0.51 0.00 1.24 0.00 0.00 39.78 40.19 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 6.42 2.06 -0.02 5.20 0.00 -1.85 -1.53 119.26 129.55 3dr6 h ALA 125 Ca 0.54 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.45 3dr6 h ALA 125 Cb 0.67 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3dr6 h ALA 125 CO 1.85 -0.21 -0.04 0.00 0.00 0.00 0.00 179.25 180.84 3dr6 h ALA 126 N 1.69 -0.03 -0.39 0.00 0.00 -1.98 -0.52 119.26 118.03 3dr6 h ALA 126 Ca 0.29 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 3dr6 h ALA 126 Cb 0.62 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3dr6 h ALA 126 CO -0.08 -0.53 -0.18 1.03 0.00 0.00 0.00 179.25 179.49 3dr6 h SER 127 N -0.07 0.83 -0.39 0.00 0.87 -1.80 -1.16 113.55 111.84 3dr6 h SER 127 Ca 0.02 -0.40 0.05 0.00 -1.23 0.00 0.00 61.79 60.23 3dr6 h SER 127 Cb 0.10 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.79 3dr6 h SER 127 CO -0.06 1.04 0.12 0.40 -0.53 0.00 0.00 176.83 177.81 3dr6 h ILE 128 N 0.61 0.87 -0.14 2.23 2.04 -1.21 -0.51 117.51 121.40 3dr6 h ILE 128 Ca 0.09 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3dr6 h ILE 128 Cb 0.73 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3dr6 h ILE 128 CO 0.05 0.05 0.08 -0.09 0.00 0.00 0.00 178.15 178.24 3dr6 h ARG 129 N 0.28 0.20 -0.43 2.37 2.43 -0.96 -1.31 114.38 116.95 3dr6 h ARG 129 Ca 0.18 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.41 3dr6 h ARG 129 Cb 0.17 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.61 3dr6 h ARG 129 CO -0.19 0.21 0.01 1.25 -1.51 0.00 0.00 179.97 179.74 3dr6 h LEU 130 N 0.13 -0.16 -0.44 3.80 5.85 -0.90 0.12 115.31 123.71 3dr6 h LEU 130 Ca 0.05 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3dr6 h LEU 130 Cb 0.07 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3dr6 h LEU 130 CO -0.01 -0.04 0.11 0.45 -0.34 0.00 0.00 178.44 178.61 3dr6 h HIS 131 N 0.12 0.74 -0.85 1.25 3.86 -0.93 -2.49 115.15 116.85 3dr6 h HIS 131 Ca 0.21 -0.09 0.08 0.00 -1.16 0.00 0.00 60.37 59.42 3dr6 h HIS 131 Cb 0.31 -0.21 -0.07 0.00 1.06 0.00 0.00 27.41 28.50 3dr6 h HIS 131 CO -0.27 0.68 0.51 0.45 0.86 0.00 0.00 177.93 180.16 3dr6 h HIS 132 N 0.59 0.94 0.00 2.45 3.86 -0.70 -1.63 115.15 120.65 3dr6 h HIS 132 Ca 0.14 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 3dr6 h HIS 132 Cb 0.31 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 3dr6 h HIS 132 CO 0.02 0.44 -0.12 0.66 0.86 0.00 0.00 177.93 179.79 3dr6 h SER 133 N 0.90 0.00 -0.61 2.45 4.64 -0.58 -2.17 113.55 118.18 3dr6 h SER 133 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3dr6 h SER 133 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3dr6 h SER 133 CO -0.21 0.12 0.00 0.18 -0.87 0.00 0.00 176.83 176.06 3dr6 n LEU 134 N -3.48 4.32 0.00 5.97 4.77 -0.69 -4.96 117.00 122.94 3dr6 n LEU 134 Ca -0.01 -2.33 0.00 0.00 -0.03 0.00 0.00 56.01 53.63 3dr6 n LEU 134 Cb 0.28 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3dr6 n LEU 134 CO 0.30 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 3dr6 n GLY 135 N 1.06 0.82 3.81 -0.72 0.00 -0.82 -5.06 105.19 104.28 3dr6 n GLY 135 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.08 3.12 0.20 1.61 0.40 -0.74 -4.80 117.98 115.68 3dr6 s PHE 136 Ca 0.00 1.54 0.10 0.00 -0.60 0.00 0.00 56.93 57.97 3dr6 s PHE 136 Cb 0.00 -2.97 -0.04 0.00 0.51 0.00 0.00 43.02 40.51 3dr6 s PHE 136 CO 0.00 -0.74 -0.20 -0.08 0.70 0.00 0.00 175.22 174.90 3dr6 s THR 137 N -2.27 2.07 -0.12 0.64 -1.32 -0.30 -4.37 115.64 109.97 3dr6 s THR 137 Ca 0.64 -2.06 -0.30 0.00 -1.21 0.00 0.00 61.69 58.77 3dr6 s THR 137 Cb -0.14 -2.02 -0.01 0.00 -1.51 0.00 0.00 72.50 68.82 3dr6 s THR 137 CO 0.26 -0.30 1.07 -0.69 -2.21 0.00 0.00 174.62 172.75 3dr6 s VAL 138 N -2.10 4.62 0.00 5.08 1.01 -1.26 -1.12 120.40 126.63 3dr6 s VAL 138 Ca 0.20 1.91 0.00 0.00 0.00 0.00 0.00 61.98 64.09 3dr6 s VAL 138 Cb -0.06 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.09 3dr6 s VAL 138 CO 0.09 -0.03 0.32 0.35 0.00 0.00 0.00 175.10 175.83 3dr6 n THR 139 N 4.72 0.00 -3.68 3.92 -2.24 -0.04 -4.97 114.28 111.98 3dr6 n THR 139 Ca 0.10 -0.41 -0.15 0.00 -2.27 0.00 0.00 64.05 61.33 3dr6 n THR 139 Cb 0.48 1.15 -0.08 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.16 -1.16 0.04 6.98 0.00 -1.05 -4.91 121.76 121.49 3dr6 s ALA 140 Ca 0.00 0.87 -0.04 0.00 0.00 0.00 0.00 51.96 52.79 3dr6 s ALA 140 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3dr6 s ALA 140 CO 0.00 -0.28 0.06 -1.14 0.00 0.00 0.00 175.76 174.39 3dr6 s GLN 141 N -0.88 0.57 -0.10 0.00 2.00 -1.26 -1.53 119.66 118.46 3dr6 s GLN 141 Ca -0.09 -0.85 -0.07 0.00 -2.00 0.00 0.00 55.36 52.35 3dr6 s GLN 141 Cb -0.03 0.22 0.04 0.00 0.80 0.00 0.00 33.01 34.03 3dr6 s GLN 141 CO 0.05 -0.13 0.25 -1.25 -0.50 0.00 0.00 175.29 173.70 3dr6 s PRO 143 N -2.81 0.25 -1.70 1.67 0.04 -1.26 -4.99 135.00 126.20 3dr6 s PRO 143 Ca -0.03 0.44 -0.01 0.00 0.04 0.00 0.00 61.00 61.44 3dr6 s PRO 143 Cb 0.00 0.01 0.00 0.00 0.04 0.00 0.00 34.50 34.55 3dr6 s PRO 143 CO -0.06 -0.10 0.13 1.04 0.04 0.00 0.00 177.00 178.05 3dr6 n GLN 144 N 3.62 -2.39 0.09 4.56 6.02 -1.11 -4.86 117.38 123.31 3dr6 n GLN 144 Ca -0.19 0.96 0.12 0.00 -0.01 0.00 0.00 57.00 57.89 3dr6 n GLN 144 Cb 0.56 -5.67 0.28 0.00 1.02 0.00 0.00 30.24 26.43 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 -0.29 0.00 -2.27 5.09 -1.51 -1.81 -3.44 116.25 112.02 3dr6 h VAL 145 Ca -0.49 -0.50 -0.55 0.00 -1.23 0.00 0.00 66.70 63.92 3dr6 h VAL 145 Cb 1.36 1.30 -0.14 0.00 -2.13 0.00 0.00 31.29 31.68 3dr6 h VAL 145 CO 0.57 0.00 -0.63 -0.83 -1.23 0.00 0.00 177.57 175.45 3dr6 s GLY 146 N -3.64 2.20 0.02 5.19 0.00 -0.66 -4.99 107.32 105.43 3dr6 s GLY 146 Ca 0.08 -2.12 0.01 0.00 0.00 0.00 0.00 44.72 42.69 3dr6 s GLY 146 CO 0.66 -1.95 -0.04 -1.34 0.00 0.00 0.00 173.10 170.43 3dr6 s VAL 147 N -2.95 0.26 -0.06 1.40 -7.23 -1.26 -0.20 120.40 110.36 3dr6 s VAL 147 Ca 0.34 -0.75 -0.30 0.00 -1.81 0.00 0.00 61.98 59.47 3dr6 s VAL 147 Cb 0.07 -0.34 0.09 0.00 0.56 0.00 0.00 36.38 36.77 3dr6 s VAL 147 CO 0.16 -0.32 0.80 -0.75 -0.31 0.00 0.00 175.10 174.68 3dr6 s LYS 148 N -1.13 0.90 -1.69 4.82 2.20 -0.78 -4.92 119.74 119.13 3dr6 s LYS 148 Ca -0.10 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 3dr6 s LYS 148 Cb -0.08 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 3dr6 s LYS 148 CO -0.00 -0.31 0.00 1.19 -0.36 0.00 0.00 175.35 175.87 3dr6 n PHE 149 N 0.59 -0.89 -0.99 4.03 3.72 -1.26 -1.50 117.46 121.17 3dr6 n PHE 149 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3dr6 n PHE 149 Cb 0.59 -3.58 0.00 0.00 -0.94 0.00 0.00 39.48 35.54 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 -0.83 0.54 3.35 1.37 0.00 -1.26 -5.03 105.19 103.33 3dr6 n GLY 150 Ca -0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.16 1.30 0.47 1.61 1.70 -0.56 -5.13 118.95 118.17 3dr6 s ARG 151 Ca 0.00 -1.38 -0.24 0.00 -0.47 0.00 0.00 55.73 53.64 3dr6 s ARG 151 Cb 0.00 -1.48 -0.07 0.00 -0.57 0.00 0.00 34.95 32.83 3dr6 s ARG 151 CO 0.00 0.32 1.26 -1.58 -1.08 0.00 0.00 175.30 174.21 3dr6 s TRP 152 N -1.75 2.71 0.01 5.89 0.52 -1.26 -1.86 118.94 123.19 3dr6 s TRP 152 Ca 0.15 1.46 0.06 0.00 0.02 0.00 0.00 56.10 57.78 3dr6 s TRP 152 Cb -0.07 -3.57 -0.02 0.00 -1.15 0.00 0.00 33.47 28.66 3dr6 s TRP 152 CO 0.07 -2.04 -0.18 -0.51 0.02 0.00 0.00 176.95 174.32 3dr6 s LEU 153 N -2.97 2.08 0.14 2.99 1.43 0.72 -4.89 118.68 118.19 3dr6 s LEU 153 Ca 0.64 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 53.34 3dr6 s LEU 153 Cb -0.34 -0.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.96 3dr6 s LEU 153 CO 0.42 0.18 0.33 -1.81 0.23 0.00 0.00 176.35 175.70 3dr6 s ASP 154 N -0.69 6.41 -0.07 2.29 1.01 -1.26 -1.65 116.67 122.71 3dr6 s ASP 154 Ca 0.06 0.42 0.05 0.00 0.71 0.00 0.00 52.55 53.79 3dr6 s ASP 154 Cb -0.07 -2.02 -0.01 0.00 1.01 0.00 0.00 42.92 41.83 3dr6 s ASP 154 CO 0.00 0.06 -0.22 -0.22 0.21 0.00 0.00 175.17 175.00 3dr6 s LEU 155 N -2.85 2.26 -0.19 1.23 0.20 -1.26 -1.01 118.68 117.06 3dr6 s LEU 155 Ca 0.38 -0.44 -0.03 0.00 0.69 0.00 0.00 54.13 54.73 3dr6 s LEU 155 Cb -0.12 -1.44 -0.01 0.00 -0.43 0.00 0.00 46.19 44.19 3dr6 s LEU 155 CO 0.27 0.24 -0.06 -0.89 -0.29 0.00 0.00 176.35 175.62 3dr6 s THR 156 N -0.15 3.41 0.63 3.68 2.01 0.53 -4.12 115.64 121.63 3dr6 s THR 156 Ca -0.03 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.49 3dr6 s THR 156 Cb -0.14 -2.51 0.12 0.00 0.01 0.00 0.00 72.50 69.98 3dr6 s THR 156 CO 0.04 0.46 0.87 0.49 -0.69 0.00 0.00 174.62 175.79 3dr6 n PHE 157 N 4.27 -2.81 0.00 4.92 0.99 -0.58 -0.19 117.46 124.06 3dr6 n PHE 157 Ca -0.18 -1.71 0.00 0.00 -0.00 0.00 0.00 57.45 55.56 3dr6 n PHE 157 Cb 0.52 -0.63 0.00 0.00 -1.00 0.00 0.00 39.48 38.37 3dr6 n PHE 157 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3dr6 n GLN 159 N -2.56 0.00 -3.93 -1.08 10.64 -0.27 -0.87 117.38 119.32 3dr6 n GLN 159 Ca 0.15 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 55.04 3dr6 n GLN 159 Cb 0.55 0.00 -0.17 0.00 -0.86 0.00 0.00 30.24 29.76 3dr6 n GLN 159 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 3dr6 s LEU 160 N 0.00 1.47 0.02 2.61 2.96 -1.26 -1.15 118.68 123.33 3dr6 s LEU 160 Ca 0.00 -0.48 -0.30 0.00 -0.22 0.00 0.00 54.13 53.12 3dr6 s LEU 160 Cb 0.00 -0.95 -0.04 0.00 0.50 0.00 0.00 46.19 45.70 3dr6 s LEU 160 CO 0.00 -0.13 1.04 -1.58 -1.32 0.00 0.00 176.35 174.36 3dr6 s GLN 161 N 1.63 4.53 0.01 1.98 0.74 -1.26 -4.39 119.66 122.90 3dr6 s GLN 161 Ca 0.03 1.51 0.23 0.00 0.05 0.00 0.00 55.36 57.18 3dr6 s GLN 161 Cb -0.14 -3.43 0.08 0.00 1.10 0.00 0.00 33.01 30.62 3dr6 s GLN 161 CO -0.09 -0.10 1.09 1.28 -0.55 0.00 0.00 175.29 176.92 3dr6 n LEU 162 N 3.88 0.70 -3.87 3.68 4.77 0.66 -4.96 117.00 121.86 3dr6 n LEU 162 Ca 0.07 -0.19 -0.08 0.00 -0.03 0.00 0.00 56.01 55.77 3dr6 n LEU 162 Cb 0.50 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 3dr6 n LEU 162 CO 0.53 0.15 0.43 1.51 -1.33 0.00 0.00 177.39 178.68 3dr6 s ASP 163 N -3.31 -0.11 -0.25 -1.43 1.47 -1.26 -4.94 116.67 106.84 3dr6 s ASP 163 Ca 0.07 -0.85 0.11 0.00 1.18 0.00 0.00 52.55 53.07 3dr6 s ASP 163 Cb 0.16 0.74 0.49 0.00 -0.34 0.00 0.00 42.92 43.98 3dr6 s ASP 163 CO 0.80 -1.42 1.42 -0.62 0.68 0.00 0.00 175.17 176.04 3dr6 n GLU 164 N -0.47 2.05 -1.68 2.11 1.02 -1.26 -5.03 120.64 117.37 3dr6 n GLU 164 Ca -0.05 -3.07 -0.45 0.00 -0.02 0.00 0.00 57.16 53.57 3dr6 n GLU 164 Cb 0.60 -1.80 -0.04 0.00 -0.02 0.00 0.00 31.44 30.18 3dr6 n GLU 164 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3dr6 n HIS 165 N -1.00 2.40 -0.12 -0.32 8.25 -1.26 -4.85 115.22 118.31 3dr6 n HIS 165 Ca 0.29 0.17 0.02 0.00 -0.26 0.00 0.00 57.72 57.94 3dr6 n HIS 165 Cb 0.96 -2.59 0.33 0.00 1.12 0.00 0.00 29.99 29.81 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 6.59 1.58 -2.56 -1.41 0.00 -2.07 -3.44 119.26 117.95 3dr6 h ALA 166 Ca -0.45 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 3dr6 h ALA 166 Cb 1.24 -0.24 -0.15 0.00 0.00 0.00 0.00 17.79 18.65 3dr6 h ALA 166 CO 0.91 0.39 -0.31 0.00 0.00 0.00 0.00 179.25 180.24 3dr6 s ALA 167 N -5.69 -0.42 -1.89 0.00 0.00 -1.26 -5.31 121.76 107.19 3dr6 s ALA 167 Ca -0.10 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.47 3dr6 s ALA 167 Cb 0.18 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.76 3dr6 s ALA 167 CO 0.76 -0.49 0.47 -0.35 0.00 0.00 0.00 175.76 176.15