#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dr8 n ALA 0 N 0.00 1.68 0.00 5.41 0.00 -1.26 -4.87 120.51 121.47 3dr8 n ALA 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dr8 n ALA 0 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3dr8 n ALA 0 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3dr8 n THR 2 N -0.44 0.00 -4.19 0.00 -2.24 -0.78 -0.14 114.28 106.49 3dr8 n THR 2 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 3dr8 n THR 2 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 3dr8 n THR 2 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3dr8 s ILE 3 N -2.00 4.43 0.16 2.28 -1.09 -1.26 -1.14 121.20 122.58 3dr8 s ILE 3 Ca 0.00 -0.17 -0.05 0.00 -2.23 0.00 0.00 60.65 58.20 3dr8 s ILE 3 Cb 0.00 -2.96 -0.03 0.00 -1.58 0.00 0.00 42.46 37.90 3dr8 s ILE 3 CO 0.00 0.50 0.19 0.00 -1.23 0.00 0.00 174.94 174.40 3dr8 s ARG 4 N 0.14 1.11 0.43 2.79 1.70 -0.49 -5.00 118.95 119.62 3dr8 s ARG 4 Ca 0.02 -1.36 -0.25 0.00 -0.47 0.00 0.00 55.73 53.67 3dr8 s ARG 4 Cb -0.13 0.32 -0.08 0.00 -0.57 0.00 0.00 34.95 34.49 3dr8 s ARG 4 CO 0.01 -0.37 1.34 -0.06 -1.08 0.00 0.00 175.30 175.14 3dr8 s PHE 5 N -4.04 2.68 0.58 5.89 0.08 -1.26 -0.80 117.98 121.11 3dr8 s PHE 5 Ca 0.24 1.37 -0.18 0.00 0.12 0.00 0.00 56.93 58.48 3dr8 s PHE 5 Cb 0.05 -3.74 -0.04 0.00 -0.57 0.00 0.00 43.02 38.72 3dr8 s PHE 5 CO 0.04 -2.37 1.10 0.00 -0.10 0.00 0.00 175.22 173.89 3dr8 s ALA 6 N -1.26 2.66 0.23 5.36 0.00 0.10 -4.71 121.76 124.14 3dr8 s ALA 6 Ca 0.59 0.64 0.07 0.00 0.00 0.00 0.00 51.96 53.27 3dr8 s ALA 6 Cb -0.39 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 3dr8 s ALA 6 CO 0.50 -0.86 0.11 -0.51 0.00 0.00 0.00 175.76 175.01 3dr8 s ASP 7 N -2.21 5.19 0.31 0.00 1.01 -1.26 -4.95 116.67 114.75 3dr8 s ASP 7 Ca 0.69 -0.35 0.07 0.00 0.71 0.00 0.00 52.55 53.67 3dr8 s ASP 7 Cb -0.20 -1.22 0.82 0.00 1.01 0.00 0.00 42.92 43.32 3dr8 s ASP 7 CO 0.32 0.00 1.71 0.11 0.21 0.00 0.00 175.17 177.52 3dr8 h LYS 8 N 1.88 0.45 -0.03 8.23 1.57 -2.00 -0.68 116.57 125.99 3dr8 h LYS 8 Ca -0.47 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.29 3dr8 h LYS 8 Cb 1.23 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 3dr8 h LYS 8 CO 0.61 0.30 0.09 0.00 -0.57 0.00 0.00 179.45 179.87 3dr8 h ALA 9 N 1.73 1.25 0.00 3.86 0.00 -2.04 -1.18 119.26 122.89 3dr8 h ALA 9 Ca 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.52 3dr8 h ALA 9 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3dr8 h ALA 9 CO -0.52 -0.10 0.00 -0.25 0.00 0.00 0.00 179.25 178.38 3dr8 n ASP 10 N -3.27 0.00 0.16 0.00 8.00 -0.26 -4.34 116.55 116.83 3dr8 n ASP 10 Ca -0.02 0.01 0.02 0.00 0.71 0.00 0.00 54.79 55.51 3dr8 n ASP 10 Cb 0.16 -0.34 0.36 0.00 -0.02 0.00 0.00 41.12 41.28 3dr8 n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dr8 h ALA 12 N 1.61 0.36 -0.49 0.00 0.00 -1.81 0.84 119.26 119.77 3dr8 h ALA 12 Ca 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dr8 h ALA 12 Cb 0.58 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3dr8 h ALA 12 CO 0.04 -0.11 0.30 0.00 0.00 0.00 0.00 179.25 179.48 3dr8 h ALA 13 N 1.03 0.62 -0.70 0.00 0.00 -1.77 -2.47 119.26 115.97 3dr8 h ALA 13 Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3dr8 h ALA 13 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3dr8 h ALA 13 CO -0.02 0.11 0.41 0.82 0.00 0.00 0.00 179.25 180.57 3dr8 h ILE 14 N 0.65 1.20 -0.47 0.00 2.04 -1.15 -2.62 117.51 117.16 3dr8 h ILE 14 Ca 0.18 -0.46 0.05 0.00 1.00 0.00 0.00 64.86 65.63 3dr8 h ILE 14 Cb -0.01 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.27 3dr8 h ILE 14 CO -0.03 0.21 0.20 0.74 0.00 0.00 0.00 178.15 179.27 3dr8 h THR 15 N 0.95 0.90 -0.02 -0.27 2.02 -0.58 -0.11 112.91 115.79 3dr8 h THR 15 Ca 0.25 -0.14 -0.14 0.00 0.77 0.00 0.00 66.41 67.15 3dr8 h THR 15 Cb -0.02 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 3dr8 h THR 15 CO -0.05 0.07 -0.65 1.05 0.37 0.00 0.00 175.52 176.32 3dr8 h GLU 16 N 0.40 0.10 -0.38 6.66 4.11 -1.32 0.18 114.58 124.34 3dr8 h GLU 16 Ca 0.22 -0.08 -0.09 0.00 0.07 0.00 0.00 59.36 59.48 3dr8 h GLU 16 Cb 0.18 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3dr8 h GLU 16 CO -0.19 0.71 -0.11 0.82 0.07 0.00 0.00 179.01 180.31 3dr8 h ILE 17 N 0.07 1.28 0.29 -1.06 2.04 -1.18 -0.73 117.51 118.23 3dr8 h ILE 17 Ca -0.01 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 3dr8 h ILE 17 Cb 1.15 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 3dr8 h ILE 17 CO 0.09 0.40 -0.14 0.22 0.00 0.00 0.00 178.15 178.72 3dr8 h TYR 18 N 0.55 -0.36 -0.49 1.37 3.20 -0.75 -2.21 116.97 118.27 3dr8 h TYR 18 Ca 0.09 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 3dr8 h TYR 18 Cb 0.63 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 3dr8 h TYR 18 CO 0.05 -0.23 0.10 -0.91 -1.64 0.00 0.00 178.16 175.53 3dr8 h ASN 19 N -0.39 0.71 -0.94 -2.11 2.35 -0.92 -0.51 115.58 113.76 3dr8 h ASN 19 Ca -0.04 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.61 3dr8 h ASN 19 Cb 0.30 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.44 3dr8 h ASN 19 CO 0.07 0.71 0.61 -0.74 -1.65 0.00 0.00 177.43 176.43 3dr8 h HIS 20 N 0.73 1.16 -0.35 1.19 2.76 -0.97 -0.61 115.15 119.05 3dr8 h HIS 20 Ca 0.16 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.26 3dr8 h HIS 20 Cb 0.30 -0.39 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 3dr8 h HIS 20 CO 0.02 0.68 -0.19 0.00 -1.30 0.00 0.00 177.93 177.14 3dr8 h ALA 21 N 1.37 1.02 -0.56 5.26 0.00 -0.64 -0.19 119.26 125.53 3dr8 h ALA 21 Ca 0.37 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3dr8 h ALA 21 Cb -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3dr8 h ALA 21 CO -0.11 0.59 0.37 0.28 0.00 0.00 0.00 179.25 180.38 3dr8 h VAL 22 N 0.58 1.14 0.00 0.00 2.07 -0.71 -1.76 116.25 117.56 3dr8 h VAL 22 Ca 0.09 -0.26 -0.16 0.00 0.82 0.00 0.00 66.70 67.19 3dr8 h VAL 22 Cb 0.65 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3dr8 h VAL 22 CO 0.05 0.14 -0.76 -0.07 0.02 0.00 0.00 177.57 176.94 3dr8 h LEU 23 N 0.76 0.00 -1.33 2.57 3.38 -0.73 -3.40 115.31 116.56 3dr8 h LEU 23 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3dr8 h LEU 23 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3dr8 h LEU 23 CO -0.05 0.76 0.00 1.41 0.09 0.00 0.00 178.44 180.66 3dr8 n HIS 24 N -3.30 0.00 -4.18 1.13 8.25 -0.12 -5.07 115.22 111.92 3dr8 n HIS 24 Ca 0.01 -0.14 -0.11 0.00 -0.26 0.00 0.00 57.72 57.22 3dr8 n HIS 24 Cb 0.84 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.83 3dr8 n HIS 24 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3dr8 s THR 25 N -0.28 0.21 -0.37 1.59 -4.23 -0.67 -4.99 115.64 106.90 3dr8 s THR 25 Ca 0.00 -1.94 0.08 0.00 -1.18 0.00 0.00 61.69 58.65 3dr8 s THR 25 Cb 0.00 -2.18 0.63 0.00 1.34 0.00 0.00 72.50 72.29 3dr8 s THR 25 CO 0.00 -0.35 1.64 0.00 -0.54 0.00 0.00 174.62 175.37 3dr8 n ALA 26 N -0.18 4.29 0.09 3.99 0.00 -1.26 -4.40 120.51 123.04 3dr8 n ALA 26 Ca -0.04 -1.95 -0.04 0.00 0.00 0.00 0.00 53.44 51.40 3dr8 n ALA 26 Cb 0.64 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.82 3dr8 n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dr8 h ALA 27 N 2.57 0.51 -3.30 0.00 0.00 -1.96 -3.42 119.26 113.66 3dr8 h ALA 27 Ca 0.23 -0.78 -0.67 0.00 0.00 0.00 0.00 54.91 53.70 3dr8 h ALA 27 Cb 2.10 -0.14 -0.35 0.00 0.00 0.00 0.00 17.79 19.40 3dr8 h ALA 27 CO 0.64 1.07 -0.83 0.42 0.00 0.00 0.00 179.25 180.55 3dr8 s ILE 28 N -2.90 2.18 -1.27 0.00 1.01 -1.26 -4.93 121.20 114.04 3dr8 s ILE 28 Ca 0.01 -1.13 -0.06 0.00 0.00 0.00 0.00 60.65 59.48 3dr8 s ILE 28 Cb 0.10 -2.04 0.10 0.00 0.01 0.00 0.00 42.46 40.64 3dr8 s ILE 28 CO 0.80 0.35 2.45 0.79 0.00 0.00 0.00 174.94 179.33 3dr8 n TRP 29 N 4.58 2.50 -3.71 3.97 7.02 -1.26 -4.81 117.44 125.72 3dr8 n TRP 29 Ca -0.19 -2.76 -0.10 0.00 -1.02 0.00 0.00 57.50 53.43 3dr8 n TRP 29 Cb 0.48 -1.83 -0.04 0.00 -2.42 0.00 0.00 31.31 27.50 3dr8 n TRP 29 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 3dr8 s ASN 30 N 0.47 -0.27 0.00 -0.99 3.04 -1.26 -5.04 114.94 110.89 3dr8 s ASN 30 Ca 0.55 -0.44 0.09 0.00 0.04 0.00 0.00 52.86 53.10 3dr8 s ASN 30 Cb 0.20 0.56 0.01 0.00 -1.54 0.00 0.00 41.25 40.48 3dr8 s ASN 30 CO -0.10 -1.02 0.63 0.47 -3.04 0.00 0.00 177.10 174.04 3dr8 n ASP 31 N -0.33 1.26 -4.63 -4.21 8.00 -1.26 -4.87 116.55 110.50 3dr8 n ASP 31 Ca -0.11 -1.13 -0.43 0.00 0.71 0.00 0.00 54.79 53.83 3dr8 n ASP 31 Cb 0.63 0.40 -0.02 0.00 -0.02 0.00 0.00 41.12 42.10 3dr8 n ASP 31 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3dr8 s ARG 32 N -1.22 3.92 0.50 -1.24 3.52 -1.26 -4.90 118.95 118.29 3dr8 s ARG 32 Ca 0.08 1.38 -0.10 0.00 -0.13 0.00 0.00 55.73 56.96 3dr8 s ARG 32 Cb 0.08 -3.90 -0.05 0.00 -1.56 0.00 0.00 34.95 29.51 3dr8 s ARG 32 CO 0.22 -1.11 0.88 0.95 -0.81 0.00 0.00 175.30 175.42 3dr8 s THR 33 N 4.46 4.77 0.26 4.11 -4.23 -1.26 -5.00 115.64 118.75 3dr8 s THR 33 Ca 0.59 0.65 0.07 0.00 -1.18 0.00 0.00 61.69 61.83 3dr8 s THR 33 Cb -0.19 -3.81 -0.05 0.00 1.34 0.00 0.00 72.50 69.79 3dr8 s THR 33 CO 0.24 -0.82 -0.09 0.68 -0.54 0.00 0.00 174.62 174.08 3dr8 s VAL 34 N -2.75 1.73 0.66 2.29 -7.23 -1.26 -5.12 120.40 108.72 3dr8 s VAL 34 Ca 0.52 -2.17 0.06 0.00 -1.81 0.00 0.00 61.98 58.58 3dr8 s VAL 34 Cb -0.10 -2.33 0.12 0.00 0.56 0.00 0.00 36.38 34.62 3dr8 s VAL 34 CO 0.42 -0.39 0.92 1.51 -0.31 0.00 0.00 175.10 177.25 3dr8 s ASP 35 N -3.41 4.65 0.13 4.85 1.47 -1.26 -4.95 116.67 118.14 3dr8 s ASP 35 Ca 0.28 -0.75 -0.12 0.00 1.18 0.00 0.00 52.55 53.14 3dr8 s ASP 35 Cb 0.02 0.37 -0.06 0.00 -0.34 0.00 0.00 42.92 42.91 3dr8 s ASP 35 CO 0.11 -1.68 1.46 0.74 0.68 0.00 0.00 175.17 176.47 3dr8 h THR 36 N -0.20 1.28 -0.88 2.11 2.02 -1.95 -2.76 112.91 112.53 3dr8 h THR 36 Ca -0.31 -1.51 0.03 0.00 0.77 0.00 0.00 66.41 65.39 3dr8 h THR 36 Cb 1.28 1.45 -0.05 0.00 -1.74 0.00 0.00 68.15 69.09 3dr8 h THR 36 CO 0.39 0.50 0.58 0.44 0.37 0.00 0.00 175.52 177.79 3dr8 h ASP 37 N 0.64 0.97 -0.19 4.18 3.32 -1.95 0.24 116.42 123.63 3dr8 h ASP 37 Ca 0.06 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.11 3dr8 h ASP 37 Cb 0.93 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 3dr8 h ASP 37 CO 0.09 0.68 0.05 -1.13 -1.72 0.00 0.00 179.24 177.20 3dr8 h ASN 38 N 1.13 0.03 0.59 6.45 -0.73 -1.89 0.13 115.58 121.29 3dr8 h ASN 38 Ca 0.34 0.02 -0.14 0.00 1.87 0.00 0.00 56.30 58.39 3dr8 h ASN 38 Cb -0.03 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 3dr8 h ASN 38 CO -0.09 0.05 -0.65 0.03 -0.37 0.00 0.00 177.43 176.39 3dr8 h ARG 39 N 0.13 0.06 -0.16 6.67 2.47 -1.19 -1.69 114.38 120.67 3dr8 h ARG 39 Ca 0.08 -0.05 0.03 0.00 -1.26 0.00 0.00 59.98 58.79 3dr8 h ARG 39 Cb 0.07 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 3dr8 h ARG 39 CO -0.10 0.69 -0.02 -0.07 0.56 0.00 0.00 179.97 181.03 3dr8 h LEU 40 N 0.04 -0.11 -0.66 3.04 3.38 -0.12 0.27 115.31 121.15 3dr8 h LEU 40 Ca -0.01 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3dr8 h LEU 40 Cb 1.16 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 3dr8 h LEU 40 CO 0.09 -0.03 0.30 0.00 0.09 0.00 0.00 178.44 178.88 3dr8 h ALA 41 N 1.15 0.85 -0.23 1.53 0.00 -0.61 -1.00 119.26 120.95 3dr8 h ALA 41 Ca 0.07 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3dr8 h ALA 41 Cb 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3dr8 h ALA 41 CO -0.15 0.44 0.02 2.35 0.00 0.00 0.00 179.25 181.91 3dr8 h TRP 42 N 0.92 0.03 -0.15 0.00 7.01 -0.95 0.16 115.95 122.97 3dr8 h TRP 42 Ca 0.22 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.27 3dr8 h TRP 42 Cb 0.15 0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.20 3dr8 h TRP 42 CO 0.01 -0.01 -0.03 -0.92 -2.79 0.00 0.00 178.44 174.70 3dr8 h TYR 43 N 0.10 -0.06 -0.37 2.65 3.20 -0.28 -1.65 116.97 120.56 3dr8 h TYR 43 Ca 0.11 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 3dr8 h TYR 43 Cb 0.12 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3dr8 h TYR 43 CO -0.17 -0.05 -0.09 0.93 -1.64 0.00 0.00 178.16 177.14 3dr8 h GLU 44 N 0.02 0.63 -0.38 1.82 5.08 -0.91 -1.36 114.58 119.47 3dr8 h GLU 44 Ca 0.07 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3dr8 h GLU 44 Cb 0.10 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3dr8 h GLU 44 CO -0.14 0.71 0.04 0.00 -1.00 0.00 0.00 179.01 178.62 3dr8 h ALA 45 N 1.33 0.51 -0.46 3.43 0.00 -0.58 -1.74 119.26 121.74 3dr8 h ALA 45 Ca 0.11 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.86 3dr8 h ALA 45 Cb 0.50 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3dr8 h ALA 45 CO 0.03 0.25 0.10 0.00 0.00 0.00 0.00 179.25 179.62 3dr8 h ARG 46 N 0.49 0.23 -0.25 0.00 2.47 -0.97 -2.70 114.38 113.65 3dr8 h ARG 46 Ca 0.11 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.77 3dr8 h ARG 46 Cb 0.41 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 3dr8 h ARG 46 CO 0.01 0.15 -0.05 1.96 0.56 0.00 0.00 179.97 182.60 3dr8 h GLN 47 N 0.24 0.39 -0.46 0.04 1.08 -1.06 -0.89 115.11 114.45 3dr8 h GLN 47 Ca 0.23 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.36 3dr8 h GLN 47 Cb 0.29 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 3dr8 h GLN 47 CO -0.29 0.46 0.30 -0.07 -0.95 0.00 0.00 178.83 178.28 3dr8 h LEU 48 N 0.37 0.51 -0.60 1.46 3.38 -0.98 -2.07 115.31 117.39 3dr8 h LEU 48 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3dr8 h LEU 48 Cb 0.33 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3dr8 h LEU 48 CO 0.01 0.36 -0.18 0.18 0.09 0.00 0.00 178.44 178.91 3dr8 n LEU 49 N -4.47 1.11 0.00 1.67 4.77 -0.71 -4.92 117.00 114.46 3dr8 n LEU 49 Ca 0.04 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 3dr8 n LEU 49 Cb 0.08 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3dr8 n LEU 49 CO 0.35 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3dr8 n GLY 50 N 1.29 0.62 3.85 -0.72 0.00 -0.78 -5.04 105.19 104.40 3dr8 n GLY 50 Ca 0.14 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 3dr8 n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dr8 s TYR 51 N -2.00 3.68 0.30 1.61 2.02 -0.42 -4.95 117.35 117.58 3dr8 s TYR 51 Ca 0.00 0.93 -0.28 0.00 -0.37 0.00 0.00 57.07 57.36 3dr8 s TYR 51 Cb 0.00 -2.25 -0.09 0.00 -0.40 0.00 0.00 41.96 39.22 3dr8 s TYR 51 CO 0.00 0.60 1.01 -1.25 -1.57 0.00 0.00 175.55 174.33 3dr8 s PRO 52 N -1.38 4.60 -0.18 -1.71 0.04 -1.26 -3.84 135.00 131.27 3dr8 s PRO 52 Ca 0.27 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 3dr8 s PRO 52 Cb -0.16 -2.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.38 3dr8 s PRO 52 CO 0.15 0.25 -0.10 0.08 0.04 0.00 0.00 177.00 177.42 3dr8 s VAL 53 N -1.38 3.06 0.08 -0.36 1.01 -1.26 -3.79 120.40 117.76 3dr8 s VAL 53 Ca 0.47 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.89 3dr8 s VAL 53 Cb -0.25 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3dr8 s VAL 53 CO 0.32 0.48 -0.09 -0.76 0.00 0.00 0.00 175.10 175.05 3dr8 s LEU 54 N 0.97 3.08 0.06 3.92 1.43 0.36 -0.73 118.68 127.77 3dr8 s LEU 54 Ca -0.01 -0.33 0.06 0.00 -1.03 0.00 0.00 54.13 52.82 3dr8 s LEU 54 Cb -0.15 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 3dr8 s LEU 54 CO -0.01 0.20 -0.17 0.68 0.23 0.00 0.00 176.35 177.28 3dr8 s VAL 55 N -1.17 1.38 0.03 -1.59 -7.23 0.02 -1.03 120.40 110.80 3dr8 s VAL 55 Ca 0.21 -1.22 -0.08 0.00 -1.81 0.00 0.00 61.98 59.08 3dr8 s VAL 55 Cb -0.11 -1.24 -0.05 0.00 0.56 0.00 0.00 36.38 35.53 3dr8 s VAL 55 CO 0.13 -0.00 0.31 -0.94 -0.31 0.00 0.00 175.10 174.29 3dr8 s SER 56 N -1.42 6.54 0.05 4.85 1.04 -0.38 -1.40 113.70 122.98 3dr8 s SER 56 Ca 0.03 0.63 -0.03 0.00 0.48 0.00 0.00 55.95 57.07 3dr8 s SER 56 Cb -0.09 -2.12 -0.03 0.00 0.10 0.00 0.00 66.02 63.89 3dr8 s SER 56 CO 0.02 0.22 0.02 -1.83 0.98 0.00 0.00 173.24 172.65 3dr8 s GLU 57 N -1.82 0.59 -0.05 4.02 -1.05 -0.30 0.06 118.70 120.14 3dr8 s GLU 57 Ca 0.29 -1.01 -0.02 0.00 -0.15 0.00 0.00 54.97 54.08 3dr8 s GLU 57 Cb -0.13 0.21 0.03 0.00 -0.44 0.00 0.00 34.13 33.80 3dr8 s GLU 57 CO 0.17 -0.12 0.04 -2.00 0.95 0.00 0.00 175.26 174.29 3dr8 s GLU 58 N -3.30 0.16 -1.72 -4.83 2.12 -0.48 -1.86 118.70 108.79 3dr8 s GLU 58 Ca 0.01 0.28 -0.12 0.00 0.36 0.00 0.00 54.97 55.50 3dr8 s GLU 58 Cb 0.03 -0.66 0.12 0.00 0.26 0.00 0.00 34.13 33.89 3dr8 s GLU 58 CO -0.08 -0.31 0.33 0.09 -0.54 0.00 0.00 175.26 174.75 3dr8 n ASN 59 N 5.19 -0.56 0.00 -1.70 5.03 0.80 -1.31 115.26 122.71 3dr8 n ASN 59 Ca -0.06 -1.25 0.00 0.00 0.87 0.00 0.00 54.58 54.15 3dr8 n ASN 59 Cb 0.50 -1.67 0.00 0.00 -1.02 0.00 0.00 39.78 37.59 3dr8 n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dr8 n GLY 60 N -1.80 3.31 3.69 7.41 0.00 -1.26 -5.03 105.19 111.51 3dr8 n GLY 60 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 3dr8 n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dr8 s VAL 61 N -2.97 5.07 0.01 1.61 1.01 -0.43 -5.03 120.40 119.68 3dr8 s VAL 61 Ca 0.00 1.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.85 3dr8 s VAL 61 Cb 0.00 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 3dr8 s VAL 61 CO 0.00 0.20 1.73 -0.69 0.00 0.00 0.00 175.10 176.34 3dr8 s VAL 62 N 1.34 3.24 -1.13 2.92 1.01 -1.26 -1.38 120.40 125.14 3dr8 s VAL 62 Ca 0.30 0.45 0.09 0.00 0.00 0.00 0.00 61.98 62.82 3dr8 s VAL 62 Cb -0.16 -3.29 0.07 0.00 0.00 0.00 0.00 36.38 32.99 3dr8 s VAL 62 CO 0.12 -0.03 0.77 0.35 0.00 0.00 0.00 175.10 176.32 3dr8 n THR 63 N 5.23 0.00 0.00 3.92 -2.24 0.11 -4.92 114.28 116.38 3dr8 n THR 63 Ca 0.17 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3dr8 n THR 63 Cb 0.41 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 3dr8 n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dr8 n GLY 64 N 0.57 1.45 3.33 3.38 0.00 -1.21 -0.23 105.19 112.48 3dr8 n GLY 64 Ca 0.05 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 3dr8 n GLY 64 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dr8 s TYR 65 N -2.00 0.23 0.01 1.61 1.13 0.53 -1.25 117.35 117.61 3dr8 s TYR 65 Ca 0.00 -0.60 -0.21 0.00 -1.41 0.00 0.00 57.07 54.85 3dr8 s TYR 65 Cb 0.00 0.03 0.04 0.00 -1.10 0.00 0.00 41.96 40.93 3dr8 s TYR 65 CO 0.00 -0.71 0.48 0.00 -2.51 0.00 0.00 175.55 172.81 3dr8 s ALA 66 N -3.92 -1.21 0.20 9.51 0.00 -0.20 -0.94 121.76 125.20 3dr8 s ALA 66 Ca 0.12 0.61 -0.23 0.00 0.00 0.00 0.00 51.96 52.46 3dr8 s ALA 66 Cb 0.03 0.23 0.06 0.00 0.00 0.00 0.00 23.12 23.43 3dr8 s ALA 66 CO -0.04 -0.41 0.92 0.45 0.00 0.00 0.00 175.76 176.69 3dr8 s SER 67 N -1.68 -0.13 0.12 0.00 0.15 -0.89 -0.49 113.70 110.79 3dr8 s SER 67 Ca -0.08 -0.57 -0.08 0.00 0.70 0.00 0.00 55.95 55.92 3dr8 s SER 67 Cb -0.02 0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 64.85 3dr8 s SER 67 CO 0.02 -1.07 0.22 0.72 1.20 0.00 0.00 173.24 174.33 3dr8 s PHE 68 N -3.05 0.30 0.31 3.44 -0.12 -1.25 -1.28 117.98 116.33 3dr8 s PHE 68 Ca 0.14 -0.70 0.02 0.00 -0.05 0.00 0.00 56.93 56.34 3dr8 s PHE 68 Cb -0.03 -0.08 -0.01 0.00 -0.63 0.00 0.00 43.02 42.27 3dr8 s PHE 68 CO 0.05 -0.62 0.36 0.41 -0.05 0.00 0.00 175.22 175.37 3dr8 n GLY 69 N -0.13 2.56 3.72 1.99 0.00 -0.89 -4.69 105.19 107.75 3dr8 n GLY 69 Ca -0.11 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 3dr8 n GLY 69 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dr8 n ASP 70 N -1.74 3.51 -0.21 1.61 8.00 -1.26 -1.19 116.55 125.27 3dr8 n ASP 70 Ca 0.03 1.14 -0.09 0.00 0.71 0.00 0.00 54.79 56.59 3dr8 n ASP 70 Cb 0.53 -1.54 0.02 0.00 -0.02 0.00 0.00 41.12 40.12 3dr8 n ASP 70 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 3dr8 h TRP 71 N 4.70 1.08 -4.26 1.24 7.01 -1.80 -3.42 115.95 120.51 3dr8 h TRP 71 Ca -0.46 -0.16 -0.13 0.00 2.11 0.00 0.00 58.89 60.24 3dr8 h TRP 71 Cb 1.24 -0.29 -0.15 0.00 -2.10 0.00 0.00 29.16 27.86 3dr8 h TRP 71 CO 0.58 0.94 -0.64 1.03 -2.79 0.00 0.00 178.44 177.55 3dr8 s ARG 72 N -5.15 0.72 0.23 2.65 1.81 -1.26 -4.92 118.95 113.02 3dr8 s ARG 72 Ca -0.12 -1.26 0.18 0.00 -1.72 0.00 0.00 55.73 52.81 3dr8 s ARG 72 Cb 0.13 0.23 0.04 0.00 -0.45 0.00 0.00 34.95 34.90 3dr8 s ARG 72 CO 0.84 -0.17 1.23 0.66 -0.68 0.00 0.00 175.30 177.18 3dr8 h SER 73 N 3.04 0.00 -3.44 0.23 4.64 -1.98 -3.45 113.55 112.59 3dr8 h SER 73 Ca -0.34 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.41 3dr8 h SER 73 Cb 1.16 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.38 3dr8 h SER 73 CO 0.63 0.36 0.41 0.49 -0.87 0.00 0.00 176.83 177.85 3dr8 n PHE 74 N -3.02 1.87 -0.32 4.77 3.01 -1.26 -4.89 117.46 117.62 3dr8 n PHE 74 Ca -0.01 0.51 0.21 0.00 1.01 0.00 0.00 57.45 59.17 3dr8 n PHE 74 Cb 0.70 -2.33 0.42 0.00 -0.01 0.00 0.00 39.48 38.26 3dr8 n PHE 74 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3dr8 h ASP 75 N 1.89 0.30 0.35 4.37 3.32 -2.03 -2.63 116.42 121.99 3dr8 h ASP 75 Ca -0.47 0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3dr8 h ASP 75 Cb 1.31 0.20 0.00 0.00 0.22 0.00 0.00 39.33 41.06 3dr8 h ASP 75 CO 0.59 -0.18 0.00 0.61 -1.72 0.00 0.00 179.24 178.54 3dr8 n GLY 76 N -1.32 -1.05 1.26 2.75 0.00 -1.26 -2.24 105.19 103.33 3dr8 n GLY 76 Ca 0.29 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.56 3dr8 n GLY 76 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dr8 n PHE 77 N -2.20 0.81 0.64 1.61 3.01 -0.99 -4.69 117.46 115.65 3dr8 n PHE 77 Ca 0.00 -0.42 0.06 0.00 1.01 0.00 0.00 57.45 58.11 3dr8 n PHE 77 Cb 0.13 -0.00 0.34 0.00 -0.01 0.00 0.00 39.48 39.93 3dr8 n PHE 77 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 3dr8 n ARG 78 N 1.56 0.22 -0.16 -1.08 1.85 -0.95 -0.94 116.66 117.15 3dr8 n ARG 78 Ca 0.22 0.14 0.07 0.00 -1.00 0.00 0.00 57.85 57.28 3dr8 n ARG 78 Cb 0.61 -1.50 0.15 0.00 -1.05 0.00 0.00 32.46 30.67 3dr8 n ARG 78 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3dr8 n TYR 79 N -1.25 0.43 -4.51 2.89 4.01 -1.26 -4.97 117.16 112.50 3dr8 n TYR 79 Ca 0.07 -0.39 -0.31 0.00 -0.16 0.00 0.00 57.90 57.11 3dr8 n TYR 79 Cb 0.10 -0.02 -0.16 0.00 -0.31 0.00 0.00 39.34 38.94 3dr8 n TYR 79 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3dr8 s THR 80 N -1.02 1.86 0.19 -0.72 2.01 -0.12 -0.29 115.64 117.56 3dr8 s THR 80 Ca 0.25 -0.85 0.08 0.00 0.31 0.00 0.00 61.69 61.48 3dr8 s THR 80 Cb 0.14 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 3dr8 s THR 80 CO 0.18 0.51 -0.02 0.68 -0.69 0.00 0.00 174.62 175.28 3dr8 s VAL 81 N 0.96 3.56 -0.18 3.82 -7.23 -0.34 -2.86 120.40 118.13 3dr8 s VAL 81 Ca -0.05 -1.57 -0.02 0.00 -1.81 0.00 0.00 61.98 58.53 3dr8 s VAL 81 Cb -0.15 -2.81 -0.00 0.00 0.56 0.00 0.00 36.38 33.98 3dr8 s VAL 81 CO -0.04 -0.16 -0.10 -0.70 -0.31 0.00 0.00 175.10 173.79 3dr8 s GLU 82 N -3.07 3.30 0.44 4.82 2.12 -0.34 -0.11 118.70 125.86 3dr8 s GLU 82 Ca 0.28 -0.69 0.07 0.00 0.36 0.00 0.00 54.97 54.99 3dr8 s GLU 82 Cb -0.09 -2.80 -0.02 0.00 0.26 0.00 0.00 34.13 31.48 3dr8 s GLU 82 CO 0.18 -0.08 0.32 -3.38 -0.54 0.00 0.00 175.26 171.76 3dr8 s HIS 83 N 1.11 2.43 -0.01 5.30 -3.43 -1.02 -2.10 115.29 117.57 3dr8 s HIS 83 Ca 0.01 -0.60 -0.15 0.00 -0.80 0.00 0.00 55.06 53.52 3dr8 s HIS 83 Cb -0.14 -2.04 0.02 0.00 -1.43 0.00 0.00 32.58 28.98 3dr8 s HIS 83 CO -0.03 -0.10 0.30 -1.54 -2.00 0.00 0.00 174.74 171.38 3dr8 s SER 84 N -4.09 -0.18 -0.03 7.38 1.04 -0.40 -4.68 113.70 112.75 3dr8 s SER 84 Ca 0.43 0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.91 3dr8 s SER 84 Cb -0.01 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.45 3dr8 s SER 84 CO 0.25 -0.47 -0.02 0.54 0.98 0.00 0.00 173.24 174.52 3dr8 s VAL 85 N -1.47 0.31 -0.08 5.02 0.11 -1.26 -2.08 120.40 120.95 3dr8 s VAL 85 Ca -0.13 -0.04 -0.01 0.00 -2.93 0.00 0.00 61.98 58.88 3dr8 s VAL 85 Cb -0.05 -0.35 0.03 0.00 -1.53 0.00 0.00 36.38 34.48 3dr8 s VAL 85 CO 0.03 0.15 -0.03 -0.31 -3.33 0.00 0.00 175.10 171.62 3dr8 s TYR 86 N 0.69 0.92 -0.16 1.54 2.02 -0.11 -5.02 117.35 117.23 3dr8 s TYR 86 Ca -0.08 -0.34 -0.07 0.00 -0.37 0.00 0.00 57.07 56.21 3dr8 s TYR 86 Cb -0.11 -0.91 -0.04 0.00 -0.40 0.00 0.00 41.96 40.50 3dr8 s TYR 86 CO -0.01 -0.36 0.10 0.08 -1.57 0.00 0.00 175.55 173.79 3dr8 s VAL 87 N 1.73 5.12 0.17 0.71 1.01 -1.26 -0.35 120.40 127.53 3dr8 s VAL 87 Ca 0.02 0.08 -0.32 0.00 0.00 0.00 0.00 61.98 61.76 3dr8 s VAL 87 Cb -0.13 -3.28 -0.17 0.00 0.00 0.00 0.00 36.38 32.81 3dr8 s VAL 87 CO -0.05 0.51 0.91 1.57 0.00 0.00 0.00 175.10 178.04 3dr8 n HIS 88 N 2.96 0.59 0.34 5.22 -0.00 0.68 -4.79 115.22 120.22 3dr8 n HIS 88 Ca -0.18 0.84 0.17 0.00 0.46 0.00 0.00 57.72 59.02 3dr8 n HIS 88 Cb 0.53 -2.14 0.92 0.00 -0.12 0.00 0.00 29.99 29.18 3dr8 n HIS 88 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3dr8 h PRO 89 N 2.28 0.00 -0.11 1.57 0.13 -1.95 0.40 132.00 134.32 3dr8 h PRO 89 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3dr8 h PRO 89 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 3dr8 h PRO 89 CO 0.63 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 3dr8 n ALA 90 N -1.93 2.50 -1.13 -0.56 0.00 -1.26 -4.44 120.51 113.68 3dr8 n ALA 90 Ca -0.02 -0.64 0.03 0.00 0.00 0.00 0.00 53.44 52.81 3dr8 n ALA 90 Cb 0.31 -0.98 0.04 0.00 0.00 0.00 0.00 19.45 18.82 3dr8 n ALA 90 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3dr8 n HIS 91 N 0.85 0.00 -2.17 0.00 8.25 0.13 -5.08 115.22 117.20 3dr8 n HIS 91 Ca 0.17 -0.38 -0.28 0.00 -0.26 0.00 0.00 57.72 56.97 3dr8 n HIS 91 Cb 0.48 -0.07 0.04 0.00 1.12 0.00 0.00 29.99 31.56 3dr8 n HIS 91 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3dr8 s GLN 92 N -1.01 2.86 -1.09 -0.41 -0.21 -1.22 -4.34 119.66 114.23 3dr8 s GLN 92 Ca 0.09 0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.66 3dr8 s GLN 92 Cb 0.08 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.93 3dr8 s GLN 92 CO 0.01 -0.87 0.00 0.41 -2.12 0.00 0.00 175.29 172.72 3dr8 n GLY 93 N -2.78 1.16 0.02 3.09 0.00 -1.26 -4.87 105.19 100.55 3dr8 n GLY 93 Ca 0.06 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 45.53 3dr8 n GLY 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dr8 n LYS 94 N -2.69 2.29 -0.56 1.61 5.02 -1.26 -5.00 118.16 117.58 3dr8 n LYS 94 Ca -0.10 -1.52 0.00 0.00 -2.02 0.00 0.00 58.31 54.67 3dr8 n LYS 94 Cb 0.34 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 3dr8 n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dr8 n GLY 95 N -0.56 0.77 0.29 0.72 0.00 -1.26 -4.96 105.19 100.18 3dr8 n GLY 95 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 3dr8 n GLY 95 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dr8 h LEU 96 N 0.00 0.88 -0.36 0.99 3.38 -1.94 -2.53 115.31 115.73 3dr8 h LEU 96 Ca 0.00 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.91 3dr8 h LEU 96 Cb 0.00 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.44 3dr8 h LEU 96 CO 0.00 0.77 -0.27 1.23 0.09 0.00 0.00 178.44 180.25 3dr8 h GLY 97 N 0.93 -0.14 1.06 0.83 0.00 -1.93 -1.08 103.07 102.75 3dr8 h GLY 97 Ca 0.23 0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.84 3dr8 h GLY 97 CO -0.03 -0.21 0.16 -0.09 0.00 0.00 0.00 176.54 176.37 3dr8 h ARG 98 N -0.23 1.11 -0.70 4.80 2.43 -1.90 -1.24 114.38 118.65 3dr8 h ARG 98 Ca 0.17 -0.27 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3dr8 h ARG 98 Cb 0.50 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 3dr8 h ARG 98 CO -0.49 0.99 0.42 0.87 -1.51 0.00 0.00 179.97 180.26 3dr8 h LYS 99 N 1.04 0.94 0.50 0.20 1.57 -1.26 -0.54 116.57 119.03 3dr8 h LYS 99 Ca 0.21 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3dr8 h LYS 99 Cb 0.39 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3dr8 h LYS 99 CO 0.00 0.67 -0.24 -0.07 -0.57 0.00 0.00 179.45 179.25 3dr8 h LEU 100 N 0.95 -0.57 -0.57 2.94 3.38 -1.06 -2.66 115.31 117.72 3dr8 h LEU 100 Ca 0.25 -0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.25 3dr8 h LEU 100 Cb -0.03 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 3dr8 h LEU 100 CO -0.05 -0.24 0.16 0.25 0.09 0.00 0.00 178.44 178.65 3dr8 h LEU 101 N -0.91 0.09 -0.71 1.67 5.85 -1.24 -0.04 115.31 120.02 3dr8 h LEU 101 Ca -0.07 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3dr8 h LEU 101 Cb 0.60 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 3dr8 h LEU 101 CO 0.11 0.06 0.45 -1.28 -0.34 0.00 0.00 178.44 177.44 3dr8 h SER 102 N 0.31 0.74 -0.12 1.25 0.87 -1.09 0.01 113.55 115.52 3dr8 h SER 102 Ca 0.29 -0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.71 3dr8 h SER 102 Cb 0.40 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 3dr8 h SER 102 CO -0.34 0.51 -0.43 -0.09 -0.53 0.00 0.00 176.83 175.95 3dr8 h ARG 103 N 0.88 0.66 -0.95 2.24 9.65 -1.10 -2.88 114.38 122.87 3dr8 h ARG 103 Ca 0.29 -0.36 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 3dr8 h ARG 103 Cb 0.02 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.57 3dr8 h ARG 103 CO -0.11 0.96 0.57 1.25 2.80 0.00 0.00 179.97 185.45 3dr8 h LEU 104 N 0.53 1.14 -0.46 3.80 5.85 -0.36 -2.30 115.31 123.51 3dr8 h LEU 104 Ca 0.04 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.77 3dr8 h LEU 104 Cb 0.97 -0.29 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 3dr8 h LEU 104 CO 0.09 0.88 0.04 0.40 -0.34 0.00 0.00 178.44 179.50 3dr8 h ILE 105 N 1.31 0.68 -0.76 4.05 2.04 -0.88 -0.48 117.51 123.48 3dr8 h ILE 105 Ca 0.34 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 66.22 3dr8 h ILE 105 Cb -0.06 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 3dr8 h ILE 105 CO -0.06 0.03 0.43 0.44 0.00 0.00 0.00 178.15 178.99 3dr8 h ASP 106 N 0.16 0.64 -0.09 1.72 3.32 -1.24 -1.81 116.42 119.12 3dr8 h ASP 106 Ca 0.23 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.23 3dr8 h ASP 106 Cb 0.33 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3dr8 h ASP 106 CO -0.35 0.39 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.02 3dr8 h GLU 107 N 0.77 0.50 -0.51 3.56 4.39 -0.82 -1.73 114.58 120.74 3dr8 h GLU 107 Ca 0.35 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.83 3dr8 h GLU 107 Cb 0.25 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3dr8 h GLU 107 CO -0.21 0.69 0.18 0.00 -1.16 0.00 0.00 179.01 178.51 3dr8 h ALA 108 N 1.33 0.67 -0.73 3.43 0.00 -0.78 -0.70 119.26 122.47 3dr8 h ALA 108 Ca 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3dr8 h ALA 108 Cb 0.62 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3dr8 h ALA 108 CO 0.04 0.31 0.33 0.00 0.00 0.00 0.00 179.25 179.93 3dr8 h ARG 109 N 0.69 1.07 -0.09 0.00 3.08 -1.18 -2.13 114.38 115.83 3dr8 h ARG 109 Ca 0.17 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3dr8 h ARG 109 Cb 0.24 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3dr8 h ARG 109 CO -0.01 0.86 -0.16 -0.09 -1.07 0.00 0.00 179.97 179.50 3dr8 h ARG 110 N 1.04 0.15 -0.00 0.04 2.43 -0.86 0.05 114.38 117.22 3dr8 h ARG 110 Ca 0.25 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3dr8 h ARG 110 Cb 0.16 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3dr8 h ARG 110 CO -0.03 0.31 0.00 0.00 -1.51 0.00 0.00 179.97 178.75 3dr8 n GLY 112 N 0.99 0.67 3.79 0.00 0.00 0.00 -5.01 105.19 105.63 3dr8 n GLY 112 Ca 0.23 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 3dr8 n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dr8 s LYS 113 N -3.11 3.76 -0.19 1.61 -0.14 -0.83 -4.98 119.74 115.86 3dr8 s LYS 113 Ca 0.00 1.50 0.11 0.00 -1.36 0.00 0.00 55.97 56.21 3dr8 s LYS 113 Cb 0.00 -2.19 -0.22 0.00 -1.68 0.00 0.00 37.83 33.74 3dr8 s LYS 113 CO 0.00 -0.49 0.07 1.58 -0.76 0.00 0.00 175.35 175.75 3dr8 n HIS 114 N -0.83 0.21 -2.92 3.18 -0.00 0.61 -4.65 115.22 110.82 3dr8 n HIS 114 Ca 0.09 0.06 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 3dr8 n HIS 114 Cb 0.51 -1.03 0.00 0.00 -0.00 0.00 0.00 29.99 29.47 3dr8 n HIS 114 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3dr8 n VAL 115 N -2.99 0.00 -3.63 3.57 0.31 -1.06 -0.01 118.33 114.52 3dr8 n VAL 115 Ca -0.35 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 63.96 3dr8 n VAL 115 Cb 1.09 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.95 3dr8 n VAL 115 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3dr8 s VAL 117 N -1.04 -0.02 -0.26 2.52 0.11 0.84 -1.20 120.40 121.36 3dr8 s VAL 117 Ca 0.00 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.97 3dr8 s VAL 117 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 3dr8 s VAL 117 CO 0.00 0.00 0.10 0.00 -3.33 0.00 0.00 175.10 171.87 3dr8 s ALA 118 N 1.36 3.25 -0.54 1.54 0.00 -1.26 -2.43 121.76 123.68 3dr8 s ALA 118 Ca -0.09 -1.12 -0.18 0.00 0.00 0.00 0.00 51.96 50.58 3dr8 s ALA 118 Cb -0.04 -2.17 0.10 0.00 0.00 0.00 0.00 23.12 21.01 3dr8 s ALA 118 CO -0.14 -0.50 0.58 0.20 0.00 0.00 0.00 175.76 175.90 3dr8 s GLY 119 N 1.64 1.90 -0.13 0.00 0.00 -1.26 -4.22 107.32 105.25 3dr8 s GLY 119 Ca 0.06 -2.19 0.02 0.00 0.00 0.00 0.00 44.72 42.61 3dr8 s GLY 119 CO 0.05 1.37 -0.18 -0.42 0.00 0.00 0.00 173.10 173.92 3dr8 s ILE 120 N 2.22 2.46 0.25 0.90 1.01 -0.04 -5.00 121.20 123.00 3dr8 s ILE 120 Ca 0.09 -0.86 -0.30 0.00 0.00 0.00 0.00 60.65 59.58 3dr8 s ILE 120 Cb -0.25 -2.00 -0.09 0.00 0.01 0.00 0.00 42.46 40.12 3dr8 s ILE 120 CO 0.07 0.54 1.34 -0.70 0.00 0.00 0.00 174.94 176.18 3dr8 s GLU 121 N 0.58 4.36 0.56 2.79 -6.30 -1.26 -0.62 118.70 118.80 3dr8 s GLU 121 Ca -0.11 2.15 0.32 0.00 -2.50 0.00 0.00 54.97 54.83 3dr8 s GLU 121 Cb -0.16 -3.14 1.63 0.00 0.00 0.00 0.00 34.13 32.45 3dr8 s GLU 121 CO 0.03 -0.26 2.12 0.77 0.02 0.00 0.00 175.26 177.94 3dr8 h SER 122 N 4.75 0.00 0.64 -1.70 0.02 -1.53 0.11 113.55 115.84 3dr8 h SER 122 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3dr8 h SER 122 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3dr8 h SER 122 CO 0.74 0.07 0.00 0.00 -1.14 0.00 0.00 176.83 176.51 3dr8 n GLN 123 N -3.44 0.25 -1.99 3.45 6.02 -1.26 -4.64 117.38 115.77 3dr8 n GLN 123 Ca -0.02 0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.60 3dr8 n GLN 123 Cb 0.22 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.97 3dr8 n GLN 123 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3dr8 n ASN 124 N -1.36 4.08 -0.11 1.08 2.85 0.02 -4.75 115.26 117.08 3dr8 n ASN 124 Ca 0.11 -2.85 -0.01 0.00 -0.11 0.00 0.00 54.58 51.72 3dr8 n ASN 124 Cb 0.24 -1.65 0.26 0.00 1.24 0.00 0.00 39.78 39.87 3dr8 n ASN 124 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3dr8 h ALA 125 N 6.87 1.37 -0.12 5.20 0.00 -1.86 -0.91 119.26 129.81 3dr8 h ALA 125 Ca 0.50 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3dr8 h ALA 125 Cb 0.74 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3dr8 h ALA 125 CO 1.72 0.47 0.07 0.00 0.00 0.00 0.00 179.25 181.51 3dr8 h ALA 126 N 1.47 0.16 -0.52 0.00 0.00 -1.99 0.21 119.26 118.59 3dr8 h ALA 126 Ca 0.18 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3dr8 h ALA 126 Cb 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3dr8 h ALA 126 CO -0.02 -0.32 -0.11 1.03 0.00 0.00 0.00 179.25 179.83 3dr8 h SER 127 N 0.11 0.98 -0.31 0.00 0.87 -1.84 -1.29 113.55 112.07 3dr8 h SER 127 Ca 0.04 -0.32 0.04 0.00 -1.23 0.00 0.00 61.79 60.33 3dr8 h SER 127 Cb 0.05 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.71 3dr8 h SER 127 CO -0.01 1.09 0.06 0.40 -0.53 0.00 0.00 176.83 177.84 3dr8 h ILE 128 N 0.87 0.85 -0.33 2.23 2.04 -1.01 -1.63 117.51 120.53 3dr8 h ILE 128 Ca 0.14 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 3dr8 h ILE 128 Cb 0.66 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3dr8 h ILE 128 CO 0.05 0.03 0.18 0.03 0.00 0.00 0.00 178.15 178.44 3dr8 h ARG 129 N 0.16 0.45 0.08 2.37 3.08 -0.79 -0.49 114.38 119.25 3dr8 h ARG 129 Ca 0.14 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.17 3dr8 h ARG 129 Cb 0.16 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3dr8 h ARG 129 CO -0.19 0.38 -0.33 1.25 -1.07 0.00 0.00 179.97 180.01 3dr8 h LEU 130 N 0.41 -0.95 -0.32 3.04 5.85 -1.04 -0.42 115.31 121.88 3dr8 h LEU 130 Ca 0.11 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.99 3dr8 h LEU 130 Cb 0.06 0.37 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3dr8 h LEU 130 CO -0.02 -0.41 0.10 0.45 -0.34 0.00 0.00 178.44 178.23 3dr8 h HIS 131 N -0.53 0.19 -0.74 1.25 3.86 -1.23 -2.47 115.15 115.48 3dr8 h HIS 131 Ca 0.04 0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.38 3dr8 h HIS 131 Cb 0.58 -0.04 -0.08 0.00 1.06 0.00 0.00 27.41 28.93 3dr8 h HIS 131 CO -0.31 0.08 0.34 0.45 0.86 0.00 0.00 177.93 179.35 3dr8 h HIS 132 N 0.24 0.60 0.00 2.45 3.86 -0.86 -1.40 115.15 120.03 3dr8 h HIS 132 Ca 0.14 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3dr8 h HIS 132 Cb 0.12 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.43 3dr8 h HIS 132 CO -0.14 0.16 0.00 0.66 0.86 0.00 0.00 177.93 179.47 3dr8 h SER 133 N 0.54 0.00 -0.30 2.45 4.64 -0.61 -1.91 113.55 118.36 3dr8 h SER 133 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3dr8 h SER 133 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3dr8 h SER 133 CO -0.33 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.81 3dr8 n LEU 134 N -2.86 3.44 0.00 5.97 4.77 -0.62 -4.98 117.00 122.72 3dr8 n LEU 134 Ca -0.02 -2.53 0.00 0.00 -0.03 0.00 0.00 56.01 53.43 3dr8 n LEU 134 Cb 0.10 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3dr8 n LEU 134 CO 0.19 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 3dr8 n GLY 135 N -0.02 0.74 3.77 -0.72 0.00 -0.72 -5.06 105.19 103.18 3dr8 n GLY 135 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3dr8 n GLY 135 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dr8 s PHE 136 N -2.29 2.57 0.08 1.61 0.40 -0.66 -4.83 117.98 114.85 3dr8 s PHE 136 Ca 0.00 1.55 0.06 0.00 -0.60 0.00 0.00 56.93 57.94 3dr8 s PHE 136 Cb 0.00 -3.29 -0.03 0.00 0.51 0.00 0.00 43.02 40.21 3dr8 s PHE 136 CO 0.00 -1.78 -0.17 0.95 0.70 0.00 0.00 175.22 174.92 3dr8 s THR 137 N -1.96 1.37 0.06 0.64 -4.23 -0.64 -4.35 115.64 106.53 3dr8 s THR 137 Ca 0.71 -1.35 -0.31 0.00 -1.18 0.00 0.00 61.69 59.57 3dr8 s THR 137 Cb -0.24 -1.27 -0.06 0.00 1.34 0.00 0.00 72.50 72.27 3dr8 s THR 137 CO 0.34 -0.10 1.30 -0.69 -0.54 0.00 0.00 174.62 174.92 3dr8 s VAL 138 N -1.14 3.75 0.00 2.29 1.01 -1.26 -1.22 120.40 123.83 3dr8 s VAL 138 Ca 0.02 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.24 3dr8 s VAL 138 Cb -0.10 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.49 3dr8 s VAL 138 CO 0.03 0.07 0.38 0.35 0.00 0.00 0.00 175.10 175.93 3dr8 n THR 139 N 4.11 0.00 -3.63 3.92 -2.24 0.29 -4.95 114.28 111.78 3dr8 n THR 139 Ca 0.11 -0.38 -0.15 0.00 -2.27 0.00 0.00 64.05 61.36 3dr8 n THR 139 Cb 0.45 1.25 -0.07 0.00 -2.10 0.00 0.00 70.33 69.85 3dr8 n THR 139 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dr8 s ALA 140 N -0.00 -1.40 0.05 6.98 0.00 -1.09 -4.93 121.76 121.36 3dr8 s ALA 140 Ca 0.00 1.17 -0.05 0.00 0.00 0.00 0.00 51.96 53.08 3dr8 s ALA 140 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 3dr8 s ALA 140 CO 0.00 -0.31 0.08 -1.14 0.00 0.00 0.00 175.76 174.39 3dr8 s GLN 141 N -0.72 0.63 -0.15 0.00 2.00 -1.25 -2.19 119.66 117.98 3dr8 s GLN 141 Ca -0.08 -0.90 -0.13 0.00 -2.00 0.00 0.00 55.36 52.26 3dr8 s GLN 141 Cb -0.03 0.24 0.04 0.00 0.80 0.00 0.00 33.01 34.06 3dr8 s GLN 141 CO 0.05 -0.16 0.38 -1.25 -0.50 0.00 0.00 175.29 173.82 3dr8 s PRO 143 N -3.10 0.43 -1.47 1.67 0.04 -1.26 -4.97 135.00 126.34 3dr8 s PRO 143 Ca -0.01 0.56 -0.00 0.00 0.04 0.00 0.00 61.00 61.59 3dr8 s PRO 143 Cb 0.02 0.18 0.00 0.00 0.04 0.00 0.00 34.50 34.74 3dr8 s PRO 143 CO -0.07 -0.07 0.00 1.04 0.04 0.00 0.00 177.00 177.95 3dr8 n GLN 144 N 3.08 -1.40 0.00 4.56 6.02 -0.92 -4.88 117.38 123.84 3dr8 n GLN 144 Ca -0.15 0.83 0.13 0.00 -0.01 0.00 0.00 57.00 57.81 3dr8 n GLN 144 Cb 0.57 -5.29 0.42 0.00 1.02 0.00 0.00 30.24 26.96 3dr8 n GLN 144 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3dr8 n VAL 145 N -4.02 0.00 -4.42 5.09 0.24 -0.71 -4.80 118.33 109.71 3dr8 n VAL 145 Ca -0.20 -0.03 -0.21 0.00 -2.04 0.00 0.00 64.34 61.86 3dr8 n VAL 145 Cb 0.65 0.03 -0.10 0.00 -1.47 0.00 0.00 33.84 32.96 3dr8 n VAL 145 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3dr8 s GLY 146 N -2.85 2.11 -0.06 7.63 0.00 -1.01 -4.99 107.32 108.15 3dr8 s GLY 146 Ca 0.17 -1.80 -0.04 0.00 0.00 0.00 0.00 44.72 43.05 3dr8 s GLY 146 CO 0.60 -1.75 0.14 0.54 0.00 0.00 0.00 173.10 172.63 3dr8 s VAL 147 N -3.42 -0.03 -0.10 1.40 0.11 -1.26 -0.15 120.40 116.95 3dr8 s VAL 147 Ca 0.34 0.09 -0.29 0.00 -2.93 0.00 0.00 61.98 59.19 3dr8 s VAL 147 Cb 0.07 -0.21 0.07 0.00 -1.53 0.00 0.00 36.38 34.77 3dr8 s VAL 147 CO 0.15 0.04 0.69 -0.75 -3.33 0.00 0.00 175.10 171.89 3dr8 s LYS 148 N 0.64 1.01 -1.71 1.54 2.20 -0.74 -4.92 119.74 117.75 3dr8 s LYS 148 Ca -0.05 0.43 -0.01 0.00 -0.36 0.00 0.00 55.97 55.98 3dr8 s LYS 148 Cb -0.06 0.48 0.00 0.00 -1.51 0.00 0.00 37.83 36.74 3dr8 s LYS 148 CO -0.03 -0.28 0.17 1.19 -0.36 0.00 0.00 175.35 176.05 3dr8 n PHE 149 N 1.33 -1.29 -1.02 4.03 3.72 -1.26 -1.73 117.46 121.24 3dr8 n PHE 149 Ca -0.18 0.15 -0.01 0.00 -0.05 0.00 0.00 57.45 57.36 3dr8 n PHE 149 Cb 0.57 -4.11 -0.00 0.00 -0.94 0.00 0.00 39.48 34.99 3dr8 n PHE 149 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dr8 n GLY 150 N -1.16 0.44 3.21 1.37 0.00 -1.26 -5.02 105.19 102.77 3dr8 n GLY 150 Ca -0.21 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 3dr8 n GLY 150 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dr8 s ARG 151 N -0.71 0.94 0.35 1.61 1.70 -0.71 -5.13 118.95 117.00 3dr8 s ARG 151 Ca 0.00 -1.25 -0.27 0.00 -0.47 0.00 0.00 55.73 53.74 3dr8 s ARG 151 Cb 0.00 -0.63 -0.09 0.00 -0.57 0.00 0.00 34.95 33.66 3dr8 s ARG 151 CO 0.00 0.10 1.12 -1.58 -1.08 0.00 0.00 175.30 173.86 3dr8 s TRP 152 N -2.60 3.31 -0.04 5.89 0.52 -1.26 -1.79 118.94 122.96 3dr8 s TRP 152 Ca 0.09 1.62 -0.01 0.00 0.02 0.00 0.00 56.10 57.82 3dr8 s TRP 152 Cb -0.02 -3.31 -0.04 0.00 -1.15 0.00 0.00 33.47 28.96 3dr8 s TRP 152 CO 0.01 -0.89 0.03 -0.51 0.02 0.00 0.00 176.95 175.60 3dr8 s LEU 153 N -2.06 3.68 0.13 2.99 1.43 0.79 -4.89 118.68 120.75 3dr8 s LEU 153 Ca 0.52 0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.81 3dr8 s LEU 153 Cb -0.30 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 3dr8 s LEU 153 CO 0.38 0.33 -0.08 -1.81 0.23 0.00 0.00 176.35 175.40 3dr8 s ASP 154 N -1.28 4.45 -0.19 2.29 1.01 -1.26 -1.74 116.67 119.94 3dr8 s ASP 154 Ca 0.17 -0.43 -0.02 0.00 0.71 0.00 0.00 52.55 52.99 3dr8 s ASP 154 Cb -0.12 -0.85 -0.00 0.00 1.01 0.00 0.00 42.92 42.96 3dr8 s ASP 154 CO 0.07 0.14 -0.11 -0.22 0.21 0.00 0.00 175.17 175.27 3dr8 s LEU 155 N -2.48 2.64 -0.30 1.23 2.96 -1.26 -1.26 118.68 120.20 3dr8 s LEU 155 Ca 0.23 -0.45 -0.12 0.00 -0.22 0.00 0.00 54.13 53.57 3dr8 s LEU 155 Cb -0.10 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 3dr8 s LEU 155 CO 0.15 0.03 0.25 -0.89 -1.32 0.00 0.00 176.35 174.57 3dr8 s THR 156 N 1.13 5.27 0.84 3.68 2.01 0.20 -3.85 115.64 124.92 3dr8 s THR 156 Ca 0.01 0.15 -0.07 0.00 0.31 0.00 0.00 61.69 62.09 3dr8 s THR 156 Cb -0.14 -3.63 0.18 0.00 0.01 0.00 0.00 72.50 68.92 3dr8 s THR 156 CO -0.03 0.15 1.15 -0.36 -0.69 0.00 0.00 174.62 174.83 3dr8 s PHE 157 N 1.83 1.29 -0.25 4.92 2.99 -0.93 -0.86 117.98 126.97 3dr8 s PHE 157 Ca 0.09 -0.15 -0.37 0.00 0.00 0.00 0.00 56.93 56.50 3dr8 s PHE 157 Cb -0.16 -3.47 0.15 0.00 0.00 0.00 0.00 43.02 39.54 3dr8 s PHE 157 CO 0.11 -2.23 1.34 1.14 -0.00 0.00 0.00 175.22 175.57 3dr8 s GLN 159 N -5.48 0.11 -0.07 0.44 -2.07 -0.36 -0.55 119.66 111.68 3dr8 s GLN 159 Ca 0.71 -0.04 -0.01 0.00 -1.82 0.00 0.00 55.36 54.20 3dr8 s GLN 159 Cb -0.03 0.05 0.03 0.00 -1.09 0.00 0.00 33.01 31.96 3dr8 s GLN 159 CO 0.48 -0.05 -0.00 -1.17 -1.32 0.00 0.00 175.29 173.23 3dr8 s LEU 160 N -2.13 0.68 -0.07 2.60 2.96 -1.26 -1.62 118.68 119.83 3dr8 s LEU 160 Ca 0.11 -0.08 -0.25 0.00 -0.22 0.00 0.00 54.13 53.69 3dr8 s LEU 160 Cb -0.00 -0.43 -0.03 0.00 0.50 0.00 0.00 46.19 46.22 3dr8 s LEU 160 CO -0.03 -0.18 0.76 -1.58 -1.32 0.00 0.00 176.35 174.00 3dr8 s GLN 161 N 1.84 4.43 0.09 1.98 0.74 -1.26 -4.35 119.66 123.13 3dr8 s GLN 161 Ca 0.03 0.97 0.23 0.00 0.05 0.00 0.00 55.36 56.64 3dr8 s GLN 161 Cb -0.12 -3.47 0.06 0.00 1.10 0.00 0.00 33.01 30.57 3dr8 s GLN 161 CO -0.05 -0.02 1.04 1.28 -0.55 0.00 0.00 175.29 176.99 3dr8 n LEU 162 N 4.03 0.63 -3.98 3.68 4.77 0.99 -4.97 117.00 122.16 3dr8 n LEU 162 Ca 0.01 0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 3dr8 n LEU 162 Cb 0.51 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 3dr8 n LEU 162 CO 0.48 -0.03 0.26 1.51 -1.33 0.00 0.00 177.39 178.28 3dr8 s ASP 163 N -4.36 0.25 -0.27 -1.43 1.47 -1.26 -5.03 116.67 106.05 3dr8 s ASP 163 Ca 0.02 -1.14 0.11 0.00 1.18 0.00 0.00 52.55 52.72 3dr8 s ASP 163 Cb 0.13 0.68 0.56 0.00 -0.34 0.00 0.00 42.92 43.95 3dr8 s ASP 163 CO 0.79 -1.33 1.53 -0.62 0.68 0.00 0.00 175.17 176.23 3dr8 n GLU 164 N -0.48 2.48 -1.72 2.11 -0.58 -1.26 -5.04 120.64 116.15 3dr8 n GLU 164 Ca -0.02 -3.04 -0.43 0.00 -0.42 0.00 0.00 57.16 53.25 3dr8 n GLU 164 Cb 0.61 -1.91 -0.02 0.00 -0.57 0.00 0.00 31.44 29.55 3dr8 n GLU 164 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3dr8 n HIS 165 N -0.80 2.62 0.22 -0.32 8.25 -1.26 -4.85 115.22 119.09 3dr8 n HIS 165 Ca 0.32 0.26 0.09 0.00 -0.26 0.00 0.00 57.72 58.14 3dr8 n HIS 165 Cb 1.08 -2.57 0.51 0.00 1.12 0.00 0.00 29.99 30.13 3dr8 n HIS 165 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dr8 h ALA 166 N 5.10 1.12 -2.57 -1.41 0.00 -2.07 -3.45 119.26 115.98 3dr8 h ALA 166 Ca -0.46 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.15 3dr8 h ALA 166 Cb 1.24 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.83 3dr8 h ALA 166 CO 0.82 0.29 -0.23 0.00 0.00 0.00 0.00 179.25 180.14 3dr8 s ALA 167 N -3.85 -0.70 0.44 0.00 0.00 -1.26 -5.14 121.76 111.25 3dr8 s ALA 167 Ca -0.01 -0.02 -0.24 0.00 0.00 0.00 0.00 51.96 51.69 3dr8 s ALA 167 Cb 0.12 0.37 -0.09 0.00 0.00 0.00 0.00 23.12 23.51 3dr8 s ALA 167 CO 0.64 -0.45 1.12 -0.35 0.00 0.00 0.00 175.76 176.72 3dr8 n PRO 168 N 0.44 1.55 -0.15 0.00 -0.04 -1.26 -4.93 135.00 130.61 3dr8 n PRO 168 Ca -0.18 0.56 0.05 0.00 -0.04 0.00 0.00 63.50 63.89 3dr8 n PRO 168 Cb 0.60 -2.21 0.07 0.00 -0.04 0.00 0.00 33.50 31.92 3dr8 n PRO 168 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3dr8 n ASP 169 N 0.20 1.54 -1.91 3.54 5.75 -1.26 -4.79 116.55 119.63 3dr8 n ASP 169 Ca 0.09 -2.45 -0.01 0.00 -0.01 0.00 0.00 54.79 52.41 3dr8 n ASP 169 Cb 0.40 -0.26 0.02 0.00 -1.03 0.00 0.00 41.12 40.26 3dr8 n ASP 169 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dr8 n ALA 170 N -0.81 2.83 -0.85 2.12 0.00 -1.26 -5.26 120.51 117.28 3dr8 n ALA 170 Ca 0.08 -1.85 0.00 0.00 0.00 0.00 0.00 53.44 51.67 3dr8 n ALA 170 Cb 0.57 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.32 3dr8 n ALA 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50