#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dr8 s ASN -1 N 0.00 1.86 -0.23 6.43 0.01 -1.26 -4.82 114.94 116.92 3dr8 s ASN -1 Ca 0.00 -0.31 -0.26 0.00 -0.71 0.00 0.00 52.86 51.57 3dr8 s ASN -1 Cb 0.00 -0.86 0.10 0.00 0.41 0.00 0.00 41.25 40.90 3dr8 s ASN -1 CO 0.00 0.03 0.86 0.28 -1.51 0.00 0.00 177.10 176.76 3dr8 s THR 2 N 0.70 0.00 -0.22 1.60 -1.32 -0.80 -5.10 115.64 110.50 3dr8 s THR 2 Ca -0.14 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.23 3dr8 s THR 2 Cb -0.16 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.78 3dr8 s THR 2 CO 0.03 0.00 0.21 -0.63 -2.21 0.00 0.00 174.62 172.02 3dr8 s ILE 3 N -0.04 5.34 0.18 5.08 -1.09 -1.26 -1.33 121.20 128.07 3dr8 s ILE 3 Ca -0.00 0.30 -0.05 0.00 -2.23 0.00 0.00 60.65 58.67 3dr8 s ILE 3 Cb -0.04 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 3dr8 s ILE 3 CO -0.00 0.35 0.20 0.00 -1.23 0.00 0.00 174.94 174.26 3dr8 s ARG 4 N 0.90 1.16 0.34 2.79 1.70 -0.13 -5.00 118.95 120.70 3dr8 s ARG 4 Ca 0.10 -1.40 -0.28 0.00 -0.47 0.00 0.00 55.73 53.68 3dr8 s ARG 4 Cb -0.13 0.32 -0.10 0.00 -0.57 0.00 0.00 34.95 34.47 3dr8 s ARG 4 CO 0.04 -0.40 1.23 -0.06 -1.08 0.00 0.00 175.30 175.03 3dr8 s PHE 5 N -4.06 3.14 0.63 5.89 0.08 -1.26 -0.54 117.98 121.87 3dr8 s PHE 5 Ca 0.27 1.50 -0.17 0.00 0.12 0.00 0.00 56.93 58.65 3dr8 s PHE 5 Cb 0.05 -3.54 -0.01 0.00 -0.57 0.00 0.00 43.02 38.95 3dr8 s PHE 5 CO 0.05 -1.50 1.14 0.00 -0.10 0.00 0.00 175.22 174.82 3dr8 s ALA 6 N -1.21 2.48 0.28 5.36 0.00 0.90 -4.69 121.76 124.88 3dr8 s ALA 6 Ca 0.50 0.73 0.07 0.00 0.00 0.00 0.00 51.96 53.27 3dr8 s ALA 6 Cb -0.36 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 3dr8 s ALA 6 CO 0.47 -1.23 0.24 -0.51 0.00 0.00 0.00 175.76 174.73 3dr8 s ASP 7 N -2.16 5.51 0.36 0.00 1.11 -1.26 -4.97 116.67 115.27 3dr8 s ASP 7 Ca 0.71 -0.30 0.14 0.00 0.18 0.00 0.00 52.55 53.28 3dr8 s ASP 7 Cb -0.24 -1.31 0.99 0.00 1.07 0.00 0.00 42.92 43.43 3dr8 s ASP 7 CO 0.37 -0.13 1.75 0.50 1.18 0.00 0.00 175.17 178.84 3dr8 h LYS 8 N 1.40 0.48 0.00 8.23 3.64 -2.00 -1.54 116.57 126.78 3dr8 h LYS 8 Ca -0.48 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3dr8 h LYS 8 Cb 1.24 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3dr8 h LYS 8 CO 0.60 0.32 0.00 0.00 -2.27 0.00 0.00 179.45 178.10 3dr8 n ALA 9 N -2.40 1.66 1.20 5.00 0.00 -1.26 -1.91 120.51 122.80 3dr8 n ALA 9 Ca 0.26 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.89 3dr8 n ALA 9 Cb 0.80 -1.35 0.67 0.00 0.00 0.00 0.00 19.45 19.58 3dr8 n ALA 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dr8 n ASP 10 N -2.04 0.00 0.18 0.00 8.00 -0.58 -4.31 116.55 117.80 3dr8 n ASP 10 Ca 0.02 0.10 0.02 0.00 0.71 0.00 0.00 54.79 55.65 3dr8 n ASP 10 Cb 0.21 -0.36 0.37 0.00 -0.02 0.00 0.00 41.12 41.32 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 1.63 0.54 -0.57 0.00 0.00 -1.83 -0.23 119.26 118.81 3dr8 h ALA 12 Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3dr8 h ALA 12 Cb 0.62 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3dr8 h ALA 12 CO 0.05 0.47 0.29 0.00 0.00 0.00 0.00 179.25 180.05 3dr8 h ALA 13 N 0.81 0.73 -0.35 0.00 0.00 -1.72 -1.71 119.26 117.03 3dr8 h ALA 13 Ca 0.09 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3dr8 h ALA 13 Cb 0.71 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3dr8 h ALA 13 CO 0.05 0.28 0.09 0.82 0.00 0.00 0.00 179.25 180.49 3dr8 h ILE 14 N 0.77 0.85 -0.31 0.00 2.04 -1.17 -2.27 117.51 117.42 3dr8 h ILE 14 Ca 0.20 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 66.01 3dr8 h ILE 14 Cb 0.09 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3dr8 h ILE 14 CO -0.03 0.04 0.12 0.74 0.00 0.00 0.00 178.15 179.02 3dr8 h THR 15 N 0.22 0.94 -0.87 -0.27 2.02 -0.78 0.16 112.91 114.33 3dr8 h THR 15 Ca 0.17 -0.09 0.09 0.00 0.77 0.00 0.00 66.41 67.35 3dr8 h THR 15 Cb 0.17 0.65 -0.07 0.00 -1.74 0.00 0.00 68.15 67.16 3dr8 h THR 15 CO -0.20 0.05 0.52 -0.33 0.37 0.00 0.00 175.52 175.93 3dr8 h GLU 16 N 0.27 0.86 -0.23 6.66 5.08 -1.14 0.23 114.58 126.31 3dr8 h GLU 16 Ca 0.13 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 3dr8 h GLU 16 Cb 0.09 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3dr8 h GLU 16 CO -0.12 0.57 -0.28 0.82 -1.00 0.00 0.00 179.01 179.00 3dr8 h ILE 17 N 0.88 1.32 -0.06 3.13 2.04 -0.84 -2.21 117.51 121.77 3dr8 h ILE 17 Ca 0.41 -1.46 0.03 0.00 1.00 0.00 0.00 64.86 64.84 3dr8 h ILE 17 Cb 0.34 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 3dr8 h ILE 17 CO -0.23 0.46 -0.10 0.22 0.00 0.00 0.00 178.15 178.49 3dr8 h TYR 18 N 0.30 -0.26 -0.62 1.37 3.20 -0.57 -1.96 116.97 118.43 3dr8 h TYR 18 Ca 0.03 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 3dr8 h TYR 18 Cb 0.85 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.21 3dr8 h TYR 18 CO 0.08 -0.16 0.31 -0.91 -1.64 0.00 0.00 178.16 175.85 3dr8 h ASN 19 N -0.14 0.78 -0.70 -2.11 2.35 -0.52 -0.79 115.58 114.45 3dr8 h ASN 19 Ca 0.06 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 3dr8 h ASN 19 Cb 0.23 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 3dr8 h ASN 19 CO -0.15 0.65 0.31 -0.74 -1.65 0.00 0.00 177.43 175.85 3dr8 h HIS 20 N 0.88 1.04 -0.54 1.19 2.76 -1.17 -1.51 115.15 117.79 3dr8 h HIS 20 Ca 0.22 -0.06 -0.08 0.00 -2.20 0.00 0.00 60.37 58.25 3dr8 h HIS 20 Cb 0.07 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.69 3dr8 h HIS 20 CO 0.01 0.79 0.03 0.00 -1.30 0.00 0.00 177.93 177.46 3dr8 h ALA 21 N 1.15 1.03 -0.59 5.26 0.00 -0.52 0.10 119.26 125.68 3dr8 h ALA 21 Ca 0.24 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dr8 h ALA 21 Cb 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3dr8 h ALA 21 CO -0.03 0.61 0.38 0.28 0.00 0.00 0.00 179.25 180.49 3dr8 h VAL 22 N 0.85 1.16 0.09 0.00 2.07 -0.90 -2.41 116.25 117.11 3dr8 h VAL 22 Ca 0.16 -0.32 -0.25 0.00 0.82 0.00 0.00 66.70 67.11 3dr8 h VAL 22 Cb 0.46 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3dr8 h VAL 22 CO 0.02 0.16 -1.15 -0.07 0.02 0.00 0.00 177.57 176.55 3dr8 h LEU 23 N 0.80 0.36 -0.95 2.57 3.38 -1.06 -3.41 115.31 117.01 3dr8 h LEU 23 Ca 0.21 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3dr8 h LEU 23 Cb -0.06 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3dr8 h LEU 23 CO -0.04 1.26 0.00 1.41 0.09 0.00 0.00 178.44 181.16 3dr8 n HIS 24 N -3.54 0.00 -4.21 1.13 8.25 0.00 -5.04 115.22 111.81 3dr8 n HIS 24 Ca -0.07 -0.04 -0.12 0.00 -0.26 0.00 0.00 57.72 57.23 3dr8 n HIS 24 Cb 0.97 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.98 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 -0.08 0.71 -0.48 1.59 -4.23 -0.91 -5.01 115.64 107.23 3dr8 s THR 25 Ca 0.00 -1.96 0.08 0.00 -1.18 0.00 0.00 61.69 58.63 3dr8 s THR 25 Cb 0.00 -1.89 0.53 0.00 1.34 0.00 0.00 72.50 72.48 3dr8 s THR 25 CO 0.00 -0.69 1.35 0.00 -0.54 0.00 0.00 174.62 174.75 3dr8 n ALA 26 N -0.14 3.53 0.02 3.99 0.00 -1.26 -4.44 120.51 122.22 3dr8 n ALA 26 Ca -0.09 -1.33 -0.06 0.00 0.00 0.00 0.00 53.44 51.96 3dr8 n ALA 26 Cb 0.62 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 18.85 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 3.13 0.63 -3.05 0.00 0.00 -1.96 -3.42 119.26 114.58 3dr8 h ALA 27 Ca 0.04 -1.13 -0.67 0.00 0.00 0.00 0.00 54.91 53.15 3dr8 h ALA 27 Cb 1.56 0.23 -0.33 0.00 0.00 0.00 0.00 17.79 19.24 3dr8 h ALA 27 CO 0.37 1.31 -0.83 0.42 0.00 0.00 0.00 179.25 180.52 3dr8 s ILE 28 N -2.71 2.39 -1.09 0.00 1.01 -1.26 -4.87 121.20 114.67 3dr8 s ILE 28 Ca -0.02 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 3dr8 s ILE 28 Cb 0.09 -2.03 0.16 0.00 0.01 0.00 0.00 42.46 40.69 3dr8 s ILE 28 CO 0.82 0.51 2.32 0.79 0.00 0.00 0.00 174.94 179.38 3dr8 n TRP 29 N 4.65 2.48 -3.74 3.97 7.02 -1.26 -4.78 117.44 125.77 3dr8 n TRP 29 Ca -0.20 -2.59 -0.10 0.00 -1.02 0.00 0.00 57.50 53.59 3dr8 n TRP 29 Cb 0.50 -1.59 -0.05 0.00 -2.42 0.00 0.00 31.31 27.74 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 -0.05 -0.13 -0.01 -0.99 3.04 -1.26 -5.03 114.94 110.52 3dr8 s ASN 30 Ca 0.52 -0.49 0.01 0.00 0.04 0.00 0.00 52.86 52.94 3dr8 s ASN 30 Cb 0.23 0.46 0.01 0.00 -1.54 0.00 0.00 41.25 40.42 3dr8 s ASN 30 CO -0.14 -0.87 0.94 0.47 -3.04 0.00 0.00 177.10 174.46 3dr8 n ASP 31 N -0.21 1.73 -4.53 -4.21 8.00 -1.26 -4.89 116.55 111.18 3dr8 n ASP 31 Ca -0.14 -1.92 -0.43 0.00 0.71 0.00 0.00 54.79 53.02 3dr8 n ASP 31 Cb 0.63 -0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.64 3dr8 n ASP 31 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3dr8 s ARG 32 N -0.95 3.35 0.54 -1.24 1.81 -1.26 -4.96 118.95 116.24 3dr8 s ARG 32 Ca 0.02 -0.29 -0.18 0.00 -1.72 0.00 0.00 55.73 53.56 3dr8 s ARG 32 Cb 0.01 -3.93 -0.06 0.00 -0.45 0.00 0.00 34.95 30.53 3dr8 s ARG 32 CO 0.00 -0.97 1.05 0.95 -0.68 0.00 0.00 175.30 175.65 3dr8 s THR 33 N 2.82 3.83 0.29 0.02 -4.23 -1.26 -4.99 115.64 112.11 3dr8 s THR 33 Ca 0.23 0.98 0.06 0.00 -1.18 0.00 0.00 61.69 61.78 3dr8 s THR 33 Cb -0.14 -3.43 -0.06 0.00 1.34 0.00 0.00 72.50 70.21 3dr8 s THR 33 CO 0.18 -0.40 -0.03 0.68 -0.54 0.00 0.00 174.62 174.51 3dr8 s VAL 34 N -2.26 1.53 0.53 2.29 -7.23 -1.26 -5.13 120.40 108.87 3dr8 s VAL 34 Ca 0.65 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 3dr8 s VAL 34 Cb -0.16 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.29 3dr8 s VAL 34 CO 0.29 -0.25 0.75 1.51 -0.31 0.00 0.00 175.10 177.10 3dr8 s ASP 35 N -3.45 5.40 0.27 4.85 -4.77 -1.26 -4.97 116.67 112.75 3dr8 s ASP 35 Ca 0.31 0.05 0.01 0.00 -3.30 0.00 0.00 52.55 49.61 3dr8 s ASP 35 Cb 0.05 -1.01 0.58 0.00 -1.09 0.00 0.00 42.92 41.44 3dr8 s ASP 35 CO 0.12 -1.05 1.77 0.74 0.70 0.00 0.00 175.17 177.45 3dr8 h THR 36 N 0.14 0.73 -0.36 2.11 2.02 -1.95 -1.63 112.91 113.97 3dr8 h THR 36 Ca -0.43 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 3dr8 h THR 36 Cb 1.29 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3dr8 h THR 36 CO 0.53 0.12 0.05 0.44 0.37 0.00 0.00 175.52 177.03 3dr8 h ASP 37 N 0.66 0.50 -0.11 4.18 3.32 -1.94 -0.09 116.42 122.93 3dr8 h ASP 37 Ca 0.49 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.49 3dr8 h ASP 37 Cb 0.70 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 3dr8 h ASP 37 CO -0.37 0.53 -0.11 -1.13 -1.72 0.00 0.00 179.24 176.45 3dr8 h ASN 38 N 0.53 -0.34 0.39 6.45 -0.73 -1.68 -0.45 115.58 119.74 3dr8 h ASN 38 Ca 0.12 0.07 -0.10 0.00 1.87 0.00 0.00 56.30 58.25 3dr8 h ASN 38 Cb 0.26 0.17 -0.01 0.00 0.27 0.00 0.00 38.32 39.01 3dr8 h ASN 38 CO 0.00 -0.15 -0.46 0.03 -0.37 0.00 0.00 177.43 176.49 3dr8 h ARG 39 N -0.13 0.09 -0.54 6.67 2.47 -1.39 -1.63 114.38 119.91 3dr8 h ARG 39 Ca 0.08 -0.05 0.02 0.00 -1.26 0.00 0.00 59.98 58.77 3dr8 h ARG 39 Cb 0.25 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 3dr8 h ARG 39 CO -0.19 0.54 0.34 1.25 0.56 0.00 0.00 179.97 182.46 3dr8 h LEU 40 N 0.08 0.56 -0.75 3.04 5.85 -0.75 0.93 115.31 124.27 3dr8 h LEU 40 Ca 0.00 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 3dr8 h LEU 40 Cb 0.85 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 3dr8 h LEU 40 CO 0.06 0.39 0.06 0.00 -0.34 0.00 0.00 178.44 178.62 3dr8 h ALA 41 N 1.23 0.96 -0.35 1.25 0.00 -0.68 0.17 119.26 121.84 3dr8 h ALA 41 Ca 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dr8 h ALA 41 Cb -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3dr8 h ALA 41 CO -0.08 0.64 0.22 2.35 0.00 0.00 0.00 179.25 182.38 3dr8 h TRP 42 N 0.95 0.45 -0.25 0.00 7.01 -1.08 -0.31 115.95 122.72 3dr8 h TRP 42 Ca 0.18 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 3dr8 h TRP 42 Cb 0.46 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.36 3dr8 h TRP 42 CO 0.03 0.30 0.13 -0.92 -2.79 0.00 0.00 178.44 175.19 3dr8 h TYR 43 N 0.47 0.35 -0.40 2.65 3.20 -0.45 -1.78 116.97 121.01 3dr8 h TYR 43 Ca 0.13 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 3dr8 h TYR 43 Cb -0.03 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 3dr8 h TYR 43 CO -0.05 0.32 0.10 0.93 -1.64 0.00 0.00 178.16 177.83 3dr8 h GLU 44 N 0.28 0.63 -0.98 1.82 5.08 -0.87 -0.89 114.58 119.66 3dr8 h GLU 44 Ca 0.09 -0.15 0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3dr8 h GLU 44 Cb 0.09 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 3dr8 h GLU 44 CO -0.01 0.65 0.62 0.00 -1.00 0.00 0.00 179.01 179.27 3dr8 h ALA 45 N 0.95 1.41 -0.42 3.43 0.00 -0.87 -1.48 119.26 122.27 3dr8 h ALA 45 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3dr8 h ALA 45 Cb 0.30 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3dr8 h ALA 45 CO 0.00 0.31 0.15 0.00 0.00 0.00 0.00 179.25 179.71 3dr8 h ARG 46 N 1.05 0.65 -0.88 0.00 2.47 -0.85 -3.01 114.38 113.81 3dr8 h ARG 46 Ca 0.45 -0.13 0.04 0.00 -1.26 0.00 0.00 59.98 59.08 3dr8 h ARG 46 Cb 0.32 -0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 28.49 3dr8 h ARG 46 CO -0.22 0.62 0.56 1.96 0.56 0.00 0.00 179.97 183.46 3dr8 h GLN 47 N 0.54 1.05 -0.82 0.04 1.08 -0.40 -0.20 115.11 116.39 3dr8 h GLN 47 Ca 0.14 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.31 3dr8 h GLN 47 Cb 0.23 -0.24 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 3dr8 h GLN 47 CO -0.01 0.69 0.54 1.25 -0.95 0.00 0.00 178.83 180.36 3dr8 h LEU 48 N 1.08 0.89 -0.13 1.46 5.85 -1.21 0.43 115.31 123.67 3dr8 h LEU 48 Ca 0.36 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3dr8 h LEU 48 Cb 0.05 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3dr8 h LEU 48 CO -0.13 0.61 -0.04 0.18 -0.34 0.00 0.00 178.44 178.72 3dr8 n LEU 49 N -4.44 0.25 -0.77 2.25 4.77 -0.94 -4.93 117.00 113.19 3dr8 n LEU 49 Ca 0.11 0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 56.08 3dr8 n LEU 49 Cb 0.10 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3dr8 n LEU 49 CO 0.35 0.04 -0.09 0.61 -1.33 0.00 0.00 177.39 176.97 3dr8 n GLY 50 N 1.21 0.74 3.82 -0.72 0.00 0.14 -5.02 105.19 105.37 3dr8 n GLY 50 Ca 0.17 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.36 3.75 0.33 1.61 2.02 -0.17 -4.99 117.35 117.53 3dr8 s TYR 51 Ca 0.00 1.16 -0.27 0.00 -0.37 0.00 0.00 57.07 57.59 3dr8 s TYR 51 Cb 0.00 -2.42 -0.09 0.00 -0.40 0.00 0.00 41.96 39.05 3dr8 s TYR 51 CO 0.00 0.57 1.04 -1.25 -1.57 0.00 0.00 175.55 174.34 3dr8 s PRO 52 N -1.28 4.48 -0.18 -1.71 0.04 -1.26 -4.16 135.00 130.92 3dr8 s PRO 52 Ca 0.29 1.60 0.01 0.00 0.04 0.00 0.00 61.00 62.94 3dr8 s PRO 52 Cb -0.18 -2.90 0.02 0.00 0.04 0.00 0.00 34.50 31.48 3dr8 s PRO 52 CO 0.18 0.12 -0.19 0.08 0.04 0.00 0.00 177.00 177.23 3dr8 s VAL 53 N -1.41 2.01 -0.07 -0.36 1.01 -1.26 -3.55 120.40 116.77 3dr8 s VAL 53 Ca 0.50 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3dr8 s VAL 53 Cb -0.26 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3dr8 s VAL 53 CO 0.33 0.51 -0.08 -0.76 0.00 0.00 0.00 175.10 175.11 3dr8 s LEU 54 N 1.31 3.13 0.05 3.92 1.43 0.11 -0.07 118.68 128.57 3dr8 s LEU 54 Ca 0.05 -0.04 0.09 0.00 -1.03 0.00 0.00 54.13 53.20 3dr8 s LEU 54 Cb -0.13 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 3dr8 s LEU 54 CO -0.13 0.36 -0.26 0.68 0.23 0.00 0.00 176.35 177.23 3dr8 s VAL 55 N -0.79 2.14 0.14 -1.59 -7.23 0.30 -0.80 120.40 112.57 3dr8 s VAL 55 Ca 0.12 -1.42 -0.10 0.00 -1.81 0.00 0.00 61.98 58.78 3dr8 s VAL 55 Cb -0.11 -1.84 -0.06 0.00 0.56 0.00 0.00 36.38 34.93 3dr8 s VAL 55 CO 0.01 0.34 0.46 -0.94 -0.31 0.00 0.00 175.10 174.66 3dr8 s SER 56 N -1.30 6.64 -0.01 4.85 1.04 -0.58 -0.96 113.70 123.39 3dr8 s SER 56 Ca 0.12 0.83 -0.07 0.00 0.48 0.00 0.00 55.95 57.31 3dr8 s SER 56 Cb -0.10 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.83 3dr8 s SER 56 CO 0.02 0.08 0.14 -0.70 0.98 0.00 0.00 173.24 173.77 3dr8 s GLU 57 N -2.27 0.42 -0.04 4.02 2.12 -0.44 -0.70 118.70 121.81 3dr8 s GLU 57 Ca 0.39 -0.26 -0.03 0.00 0.36 0.00 0.00 54.97 55.42 3dr8 s GLU 57 Cb -0.13 0.18 0.02 0.00 0.26 0.00 0.00 34.13 34.45 3dr8 s GLU 57 CO 0.20 -0.09 0.10 -1.83 -0.54 0.00 0.00 175.26 173.10 3dr8 s GLU 58 N -1.06 0.10 0.00 4.30 -1.05 -0.28 -1.90 118.70 118.81 3dr8 s GLU 58 Ca -0.11 0.18 0.00 0.00 -0.15 0.00 0.00 54.97 54.89 3dr8 s GLU 58 Cb -0.06 -0.01 0.00 0.00 -0.44 0.00 0.00 34.13 33.62 3dr8 s GLU 58 CO 0.01 -0.05 0.00 0.09 0.95 0.00 0.00 175.26 176.26 3dr8 n ASN 59 N 3.31 0.00 0.00 0.83 4.13 -1.26 -1.33 115.26 120.95 3dr8 n ASN 59 Ca -0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.10 3dr8 n ASN 59 Cb 0.57 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.81 3dr8 n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dr8 n GLY 60 N -0.50 0.43 3.46 7.41 0.00 -1.26 -5.02 105.19 109.70 3dr8 n GLY 60 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3dr8 n GLY 60 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dr8 s VAL 61 N -2.00 3.11 0.01 1.61 -7.23 -0.44 -5.09 120.40 110.37 3dr8 s VAL 61 Ca 0.00 -0.69 -0.30 0.00 -1.81 0.00 0.00 61.98 59.18 3dr8 s VAL 61 Cb 0.00 -2.25 -0.05 0.00 0.56 0.00 0.00 36.38 34.64 3dr8 s VAL 61 CO 0.00 0.57 1.24 -0.69 -0.31 0.00 0.00 175.10 175.92 3dr8 s VAL 62 N -0.43 4.03 -1.08 1.32 1.01 -1.26 -1.12 120.40 122.86 3dr8 s VAL 62 Ca 0.05 1.41 0.09 0.00 0.00 0.00 0.00 61.98 63.54 3dr8 s VAL 62 Cb -0.12 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.40 3dr8 s VAL 62 CO 0.02 0.05 0.74 0.35 0.00 0.00 0.00 175.10 176.25 3dr8 n THR 63 N 4.32 0.00 0.00 3.92 -2.24 0.12 -4.96 114.28 115.44 3dr8 n THR 63 Ca 0.11 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3dr8 n THR 63 Cb 0.46 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 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 0.64 1.79 3.26 3.38 0.00 -1.23 -1.15 105.19 111.89 3dr8 n GLY 64 Ca 0.05 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 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 0.08 -0.01 1.61 1.13 0.42 -1.52 117.35 117.06 3dr8 s TYR 65 Ca 0.00 -0.47 -0.16 0.00 -1.41 0.00 0.00 57.07 55.03 3dr8 s TYR 65 Cb 0.00 0.04 0.03 0.00 -1.10 0.00 0.00 41.96 40.92 3dr8 s TYR 65 CO 0.00 -0.62 0.33 0.00 -2.51 0.00 0.00 175.55 172.75 3dr8 s ALA 66 N -3.86 -0.83 0.17 9.51 0.00 0.02 -0.20 121.76 126.57 3dr8 s ALA 66 Ca 0.06 0.35 -0.24 0.00 0.00 0.00 0.00 51.96 52.13 3dr8 s ALA 66 Cb 0.04 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.30 3dr8 s ALA 66 CO -0.10 -0.28 0.90 0.45 0.00 0.00 0.00 175.76 176.74 3dr8 s SER 67 N -1.37 -0.21 0.07 0.00 0.15 -0.70 0.09 113.70 111.73 3dr8 s SER 67 Ca -0.13 -0.42 -0.01 0.00 0.70 0.00 0.00 55.95 56.10 3dr8 s SER 67 Cb -0.05 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.76 3dr8 s SER 67 CO 0.04 -0.98 -0.01 0.72 1.20 0.00 0.00 173.24 174.21 3dr8 s PHE 68 N -3.41 0.63 0.31 3.44 -0.12 -1.23 -1.07 117.98 116.53 3dr8 s PHE 68 Ca 0.11 -1.10 0.00 0.00 -0.05 0.00 0.00 56.93 55.89 3dr8 s PHE 68 Cb -0.02 -0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 41.93 3dr8 s PHE 68 CO 0.02 -0.40 0.36 0.20 -0.05 0.00 0.00 175.22 175.35 3dr8 s GLY 69 N -2.96 1.68 0.29 1.99 0.00 -0.89 -4.72 107.32 102.72 3dr8 s GLY 69 Ca 0.12 -1.68 -0.30 0.00 0.00 0.00 0.00 44.72 42.86 3dr8 s GLY 69 CO -0.07 -1.18 1.48 1.22 0.00 0.00 0.00 173.10 174.55 3dr8 n ASP 70 N -1.20 3.34 -0.16 1.64 8.00 -1.26 -0.82 116.55 126.09 3dr8 n ASP 70 Ca 0.03 1.16 -0.09 0.00 0.71 0.00 0.00 54.79 56.60 3dr8 n ASP 70 Cb 0.62 -1.53 -0.00 0.00 -0.02 0.00 0.00 41.12 40.20 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 4.08 0.75 -4.25 1.24 7.01 -1.80 -3.41 115.95 119.57 3dr8 h TRP 71 Ca -0.47 -0.08 -0.14 0.00 2.11 0.00 0.00 58.89 60.31 3dr8 h TRP 71 Cb 1.25 -0.21 -0.15 0.00 -2.10 0.00 0.00 29.16 27.95 3dr8 h TRP 71 CO 0.56 0.68 -0.61 1.03 -2.79 0.00 0.00 178.44 177.31 3dr8 s ARG 72 N -5.34 0.79 0.24 2.65 1.81 -1.26 -4.91 118.95 112.92 3dr8 s ARG 72 Ca -0.13 -1.28 0.18 0.00 -1.72 0.00 0.00 55.73 52.79 3dr8 s ARG 72 Cb 0.11 0.25 0.05 0.00 -0.45 0.00 0.00 34.95 34.91 3dr8 s ARG 72 CO 0.78 -0.20 1.25 0.66 -0.68 0.00 0.00 175.30 177.10 3dr8 h SER 73 N 2.96 0.00 -4.00 0.23 4.64 -1.97 -3.46 113.55 111.95 3dr8 h SER 73 Ca -0.34 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.44 3dr8 h SER 73 Cb 1.17 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.38 3dr8 h SER 73 CO 0.61 0.34 0.66 -0.36 -0.87 0.00 0.00 176.83 177.22 3dr8 s PHE 74 N -3.07 2.46 0.30 4.77 0.40 -1.26 -4.90 117.98 116.67 3dr8 s PHE 74 Ca 0.02 1.31 0.05 0.00 -0.60 0.00 0.00 56.93 57.71 3dr8 s PHE 74 Cb 0.08 -3.85 0.73 0.00 0.51 0.00 0.00 43.02 40.48 3dr8 s PHE 74 CO 0.76 -2.81 1.75 0.22 0.70 0.00 0.00 175.22 175.84 3dr8 h ASP 75 N 2.13 0.65 0.23 1.36 3.58 -2.02 -2.20 116.42 120.13 3dr8 h ASP 75 Ca -0.51 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.06 3dr8 h ASP 75 Cb 1.27 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.33 3dr8 h ASP 75 CO 0.60 0.19 0.00 1.23 -2.88 0.00 0.00 179.24 178.38 3dr8 h GLY 76 N 0.65 0.00 -2.02 -0.78 0.00 -1.97 -2.34 103.07 96.61 3dr8 h GLY 76 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 3dr8 h GLY 76 CO -0.42 0.00 0.00 0.69 0.00 0.00 0.00 176.54 176.81 3dr8 n PHE 77 N -2.57 0.69 1.18 5.60 3.01 -0.83 -4.67 117.46 119.87 3dr8 n PHE 77 Ca -0.01 -0.34 0.10 0.00 1.01 0.00 0.00 57.45 58.20 3dr8 n PHE 77 Cb 0.10 0.00 0.57 0.00 -0.01 0.00 0.00 39.48 40.14 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 1.14 0.56 -0.08 -1.08 1.85 -0.88 -0.65 116.66 117.52 3dr8 n ARG 78 Ca 0.19 0.02 0.04 0.00 -1.00 0.00 0.00 57.85 57.10 3dr8 n ARG 78 Cb 0.48 -1.50 0.08 0.00 -1.05 0.00 0.00 32.46 30.47 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 -1.05 0.20 -4.42 2.89 4.02 -1.26 -4.97 117.16 112.56 3dr8 n TYR 79 Ca 0.14 -0.32 -0.34 0.00 -0.01 0.00 0.00 57.90 57.37 3dr8 n TYR 79 Cb 0.08 -0.02 -0.13 0.00 -0.02 0.00 0.00 39.34 39.25 3dr8 n TYR 79 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3dr8 s THR 80 N -0.87 3.49 0.12 -0.72 2.01 0.18 0.00 115.64 119.85 3dr8 s THR 80 Ca 0.13 -0.49 0.09 0.00 0.31 0.00 0.00 61.69 61.73 3dr8 s THR 80 Cb 0.07 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 3dr8 s THR 80 CO 0.10 0.49 -0.17 0.68 -0.69 0.00 0.00 174.62 175.03 3dr8 s VAL 81 N 0.61 2.91 -0.19 3.82 -7.23 -0.39 -2.80 120.40 117.12 3dr8 s VAL 81 Ca -0.04 -1.48 -0.04 0.00 -1.81 0.00 0.00 61.98 58.61 3dr8 s VAL 81 Cb -0.15 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 3dr8 s VAL 81 CO 0.03 0.10 -0.03 -0.70 -0.31 0.00 0.00 175.10 174.19 3dr8 s GLU 82 N -2.16 3.54 0.40 4.82 2.12 -0.00 -0.30 118.70 127.12 3dr8 s GLU 82 Ca 0.18 -0.56 0.08 0.00 0.36 0.00 0.00 54.97 55.03 3dr8 s GLU 82 Cb -0.11 -2.99 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 3dr8 s GLU 82 CO 0.11 0.01 0.33 -3.38 -0.54 0.00 0.00 175.26 171.79 3dr8 s HIS 83 N 0.97 2.72 0.03 5.30 -3.43 -1.11 -2.08 115.29 117.68 3dr8 s HIS 83 Ca 0.01 -0.48 -0.11 0.00 -0.80 0.00 0.00 55.06 53.68 3dr8 s HIS 83 Cb -0.15 -2.07 0.01 0.00 -1.43 0.00 0.00 32.58 28.94 3dr8 s HIS 83 CO 0.01 -0.02 0.23 -1.54 -2.00 0.00 0.00 174.74 171.42 3dr8 s SER 84 N -4.07 -0.04 -0.05 7.38 1.04 -0.23 -4.72 113.70 113.00 3dr8 s SER 84 Ca 0.46 -0.22 -0.00 0.00 0.48 0.00 0.00 55.95 56.66 3dr8 s SER 84 Cb -0.03 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.42 3dr8 s SER 84 CO 0.27 -0.53 -0.00 -0.69 0.98 0.00 0.00 173.24 173.26 3dr8 s VAL 85 N -2.19 0.31 -0.09 5.02 1.01 -1.26 -1.72 120.40 121.47 3dr8 s VAL 85 Ca -0.08 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 3dr8 s VAL 85 Cb -0.03 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 35.96 3dr8 s VAL 85 CO -0.02 0.21 -0.03 -0.31 0.00 0.00 0.00 175.10 174.95 3dr8 s TYR 86 N 1.44 1.02 -0.16 5.22 2.02 0.72 -5.00 117.35 122.61 3dr8 s TYR 86 Ca -0.03 -0.42 -0.08 0.00 -0.37 0.00 0.00 57.07 56.17 3dr8 s TYR 86 Cb -0.13 -0.99 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 3dr8 s TYR 86 CO -0.03 -0.41 0.10 0.08 -1.57 0.00 0.00 175.55 173.73 3dr8 s VAL 87 N 1.86 5.19 0.10 0.71 1.01 -1.26 -0.44 120.40 127.57 3dr8 s VAL 87 Ca 0.05 0.10 -0.36 0.00 0.00 0.00 0.00 61.98 61.77 3dr8 s VAL 87 Cb -0.12 -3.31 -0.16 0.00 0.00 0.00 0.00 36.38 32.78 3dr8 s VAL 87 CO -0.07 0.52 1.35 1.57 0.00 0.00 0.00 175.10 178.48 3dr8 n HIS 88 N 2.85 1.56 -0.16 5.22 -0.00 -0.30 -4.76 115.22 119.63 3dr8 n HIS 88 Ca -0.18 0.61 0.19 0.00 0.46 0.00 0.00 57.72 58.81 3dr8 n HIS 88 Cb 0.53 -2.34 0.57 0.00 -0.12 0.00 0.00 29.99 28.63 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 4.59 0.26 0.00 1.57 0.13 -1.96 0.47 132.00 137.07 3dr8 h PRO 89 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3dr8 h PRO 89 Cb 1.33 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3dr8 h PRO 89 CO 0.78 0.18 0.00 0.00 -0.23 0.00 0.00 178.00 178.73 3dr8 n ALA 90 N -2.57 1.85 -0.21 -0.56 0.00 -1.26 -3.25 120.51 114.50 3dr8 n ALA 90 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3dr8 n ALA 90 Cb 0.66 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.38 0.00 -1.75 0.00 8.25 0.16 -5.05 115.22 115.45 3dr8 n HIS 91 Ca 0.06 -0.29 -0.33 0.00 -0.26 0.00 0.00 57.72 56.90 3dr8 n HIS 91 Cb 0.16 -0.03 0.05 0.00 1.12 0.00 0.00 29.99 31.29 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 -0.59 2.79 -0.41 -0.41 -0.21 -1.08 -3.84 119.66 115.92 3dr8 s GLN 92 Ca 0.00 1.39 0.00 0.00 0.02 0.00 0.00 55.36 56.77 3dr8 s GLN 92 Cb 0.00 -1.95 0.00 0.00 1.00 0.00 0.00 33.01 32.06 3dr8 s GLN 92 CO 0.00 -1.25 0.00 0.41 -2.12 0.00 0.00 175.29 172.33 3dr8 n GLY 93 N -0.52 0.56 0.15 3.09 0.00 -1.26 -4.92 105.19 102.29 3dr8 n GLY 93 Ca 0.10 -0.84 0.06 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.47 1.15 -0.86 1.61 5.02 -1.25 -4.99 118.16 116.38 3dr8 n LYS 94 Ca -0.04 -2.04 0.00 0.00 -2.02 0.00 0.00 58.31 54.21 3dr8 n LYS 94 Cb 0.25 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 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 -0.97 0.90 0.27 0.72 0.00 -1.26 -4.93 105.19 99.92 3dr8 n GLY 95 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 0.76 -0.44 0.99 3.38 -1.94 -2.05 115.31 116.01 3dr8 h LEU 96 Ca 0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3dr8 h LEU 96 Cb 0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3dr8 h LEU 96 CO 0.00 0.91 0.26 1.23 0.09 0.00 0.00 178.44 180.93 3dr8 h GLY 97 N 0.97 0.64 1.00 0.83 0.00 -1.93 0.73 103.07 105.32 3dr8 h GLY 97 Ca 0.11 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 3dr8 h GLY 97 CO 0.04 0.26 0.16 -0.09 0.00 0.00 0.00 176.54 176.91 3dr8 h ARG 98 N 0.58 0.90 -0.19 4.80 2.43 -1.93 -0.23 114.38 120.75 3dr8 h ARG 98 Ca 0.16 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3dr8 h ARG 98 Cb 0.00 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3dr8 h ARG 98 CO -0.03 0.83 0.11 0.87 -1.51 0.00 0.00 179.97 180.24 3dr8 h LYS 99 N 0.81 0.26 -0.33 0.20 1.79 -1.04 -1.13 116.57 117.14 3dr8 h LYS 99 Ca 0.18 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 3dr8 h LYS 99 Cb 0.31 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 3dr8 h LYS 99 CO -0.00 0.24 0.21 -0.07 -1.08 0.00 0.00 179.45 178.74 3dr8 h LEU 100 N 0.21 0.38 -0.36 2.94 3.38 -0.82 -2.73 115.31 118.32 3dr8 h LEU 100 Ca 0.07 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3dr8 h LEU 100 Cb 0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3dr8 h LEU 100 CO -0.01 0.30 -0.29 0.25 0.09 0.00 0.00 178.44 178.78 3dr8 h LEU 101 N 0.43 0.87 -1.33 1.67 5.85 -0.99 -0.82 115.31 120.99 3dr8 h LEU 101 Ca 0.12 -0.45 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 3dr8 h LEU 101 Cb -0.02 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3dr8 h LEU 101 CO -0.02 1.13 -0.01 0.77 -0.34 0.00 0.00 178.44 179.97 3dr8 h SER 102 N 0.61 0.41 -0.20 1.25 4.64 -1.23 -0.05 113.55 118.99 3dr8 h SER 102 Ca 0.06 -0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3dr8 h SER 102 Cb 0.86 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3dr8 h SER 102 CO 0.07 0.48 -0.41 -0.09 -0.87 0.00 0.00 176.83 176.01 3dr8 h ARG 103 N 0.42 0.75 -0.74 4.77 9.65 -1.39 -2.92 114.38 124.93 3dr8 h ARG 103 Ca 0.09 -0.40 -0.03 0.00 -1.10 0.00 0.00 59.98 58.55 3dr8 h ARG 103 Cb 0.29 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.85 3dr8 h ARG 103 CO 0.01 1.02 0.36 1.25 2.80 0.00 0.00 179.97 185.41 3dr8 h LEU 104 N 0.61 0.96 -0.56 3.80 5.85 -0.37 -1.53 115.31 124.07 3dr8 h LEU 104 Ca 0.05 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.68 3dr8 h LEU 104 Cb 0.96 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 3dr8 h LEU 104 CO 0.09 0.82 0.30 0.40 -0.34 0.00 0.00 178.44 179.71 3dr8 h ILE 105 N 1.04 0.97 -0.65 4.05 2.04 -1.04 0.25 117.51 124.17 3dr8 h ILE 105 Ca 0.25 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.94 3dr8 h ILE 105 Cb 0.11 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 3dr8 h ILE 105 CO -0.03 0.10 0.41 0.44 0.00 0.00 0.00 178.15 179.07 3dr8 h ASP 106 N 0.57 0.68 -0.09 1.72 3.32 -1.21 -1.25 116.42 120.17 3dr8 h ASP 106 Ca 0.25 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 3dr8 h ASP 106 Cb 0.14 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3dr8 h ASP 106 CO -0.16 0.48 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.27 3dr8 h GLU 107 N 0.82 0.52 -0.65 3.56 4.39 -0.89 -0.68 114.58 121.65 3dr8 h GLU 107 Ca 0.26 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 3dr8 h GLU 107 Cb -0.01 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 3dr8 h GLU 107 CO -0.09 0.72 0.13 0.00 -1.16 0.00 0.00 179.01 178.61 3dr8 h ALA 108 N 1.28 0.85 -0.79 3.43 0.00 0.18 -0.88 119.26 123.34 3dr8 h ALA 108 Ca 0.07 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3dr8 h ALA 108 Cb 0.67 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3dr8 h ALA 108 CO 0.05 0.59 0.35 0.00 0.00 0.00 0.00 179.25 180.25 3dr8 h ARG 109 N 0.97 1.16 -0.16 0.00 3.08 -1.00 -2.15 114.38 116.29 3dr8 h ARG 109 Ca 0.20 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3dr8 h ARG 109 Cb 0.40 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3dr8 h ARG 109 CO 0.01 0.92 -0.06 -0.09 -1.07 0.00 0.00 179.97 179.67 3dr8 h ARG 110 N 1.13 0.24 -0.00 0.04 9.65 -0.75 -2.03 114.38 122.66 3dr8 h ARG 110 Ca 0.27 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 3dr8 h ARG 110 Cb 0.16 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 3dr8 h ARG 110 CO -0.03 0.32 -0.03 0.00 2.80 0.00 0.00 179.97 183.03 3dr8 n GLY 112 N 1.15 0.60 3.80 0.00 0.00 -0.76 -5.05 105.19 104.93 3dr8 n GLY 112 Ca 0.19 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.61 3.47 -0.21 1.61 -0.14 -0.88 -4.98 119.74 118.00 3dr8 s LYS 113 Ca 0.00 1.23 0.08 0.00 -1.36 0.00 0.00 55.97 55.92 3dr8 s LYS 113 Cb 0.00 -2.05 -0.18 0.00 -1.68 0.00 0.00 37.83 33.92 3dr8 s LYS 113 CO 0.00 -0.69 -0.10 1.58 -0.76 0.00 0.00 175.35 175.38 3dr8 n HIS 114 N -1.75 0.00 -3.34 3.18 -0.00 0.10 -4.69 115.22 108.72 3dr8 n HIS 114 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 3dr8 n HIS 114 Cb 0.53 -0.89 0.00 0.00 -0.00 0.00 0.00 29.99 29.63 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 -2.97 0.00 -3.44 3.57 0.31 -0.90 0.21 118.33 115.11 3dr8 n VAL 115 Ca -0.36 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 63.98 3dr8 n VAL 115 Cb 1.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.88 3dr8 n VAL 115 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3dr8 s VAL 117 N -1.17 -0.23 -0.28 2.52 1.01 0.58 -1.26 120.40 121.57 3dr8 s VAL 117 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 3dr8 s VAL 117 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3dr8 s VAL 117 CO 0.00 0.00 0.16 0.00 0.00 0.00 0.00 175.10 175.26 3dr8 s ALA 118 N 1.94 3.42 -0.55 5.51 0.00 -1.26 -2.74 121.76 128.08 3dr8 s ALA 118 Ca -0.04 -1.16 -0.19 0.00 0.00 0.00 0.00 51.96 50.57 3dr8 s ALA 118 Cb -0.04 -2.40 0.08 0.00 0.00 0.00 0.00 23.12 20.76 3dr8 s ALA 118 CO -0.16 -0.61 0.68 0.20 0.00 0.00 0.00 175.76 175.87 3dr8 s GLY 119 N 1.71 1.74 -0.12 0.00 0.00 -1.26 -4.15 107.32 105.24 3dr8 s GLY 119 Ca 0.07 -1.92 0.02 0.00 0.00 0.00 0.00 44.72 42.89 3dr8 s GLY 119 CO 0.09 1.56 -0.20 -0.42 0.00 0.00 0.00 173.10 174.13 3dr8 s ILE 120 N 2.75 2.42 0.33 0.90 1.01 0.29 -4.98 121.20 123.92 3dr8 s ILE 120 Ca 0.14 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.62 3dr8 s ILE 120 Cb -0.21 -1.97 -0.11 0.00 0.01 0.00 0.00 42.46 40.19 3dr8 s ILE 120 CO 0.10 0.54 1.45 -0.70 0.00 0.00 0.00 174.94 176.34 3dr8 s GLU 121 N 0.41 4.20 0.63 2.79 -6.30 -1.26 -0.27 118.70 118.90 3dr8 s GLU 121 Ca -0.15 2.44 0.41 0.00 -2.50 0.00 0.00 54.97 55.18 3dr8 s GLU 121 Cb -0.17 -3.03 2.10 0.00 0.00 0.00 0.00 34.13 33.04 3dr8 s GLU 121 CO 0.07 -0.45 2.25 0.77 0.02 0.00 0.00 175.26 177.92 3dr8 h SER 122 N 3.75 0.00 0.10 -1.70 0.02 -1.34 -0.99 113.55 113.40 3dr8 h SER 122 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3dr8 h SER 122 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 3dr8 h SER 122 CO 0.69 0.00 -0.14 0.00 -1.14 0.00 0.00 176.83 176.25 3dr8 n GLN 123 N -3.09 1.28 -2.38 3.45 6.02 -1.26 -4.67 117.38 116.73 3dr8 n GLN 123 Ca -0.02 -0.78 -0.39 0.00 -0.01 0.00 0.00 57.00 55.80 3dr8 n GLN 123 Cb 0.14 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.90 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 -0.18 4.37 -0.08 1.08 2.85 -0.38 -4.77 115.26 118.15 3dr8 n ASN 124 Ca 0.15 -2.86 -0.07 0.00 -0.11 0.00 0.00 54.58 51.69 3dr8 n ASN 124 Cb 0.37 -1.73 0.10 0.00 1.24 0.00 0.00 39.78 39.76 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 8.02 0.91 -0.48 5.20 0.00 -1.87 -1.54 119.26 129.50 3dr8 h ALA 125 Ca 0.40 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3dr8 h ALA 125 Cb 0.87 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3dr8 h ALA 125 CO 1.43 0.62 0.26 0.00 0.00 0.00 0.00 179.25 181.57 3dr8 h ALA 126 N 1.10 0.60 -0.31 0.00 0.00 -1.99 0.33 119.26 119.00 3dr8 h ALA 126 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 3dr8 h ALA 126 Cb 0.70 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3dr8 h ALA 126 CO 0.05 -0.06 -0.52 1.03 0.00 0.00 0.00 179.25 179.75 3dr8 h SER 127 N 0.53 0.97 -0.76 0.00 0.87 -1.89 -0.52 113.55 112.74 3dr8 h SER 127 Ca 0.20 -0.51 -0.04 0.00 -1.23 0.00 0.00 61.79 60.21 3dr8 h SER 127 Cb 0.06 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.71 3dr8 h SER 127 CO -0.11 1.31 0.32 0.40 -0.53 0.00 0.00 176.83 178.21 3dr8 h ILE 128 N 0.68 1.25 -0.18 2.23 2.04 -1.01 -1.55 117.51 120.97 3dr8 h ILE 128 Ca 0.02 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 3dr8 h ILE 128 Cb 1.12 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3dr8 h ILE 128 CO 0.12 0.32 -0.17 -0.09 0.00 0.00 0.00 178.15 178.33 3dr8 h ARG 129 N 1.10 0.44 -0.57 2.37 1.12 -0.89 -1.22 114.38 116.73 3dr8 h ARG 129 Ca 0.26 -0.23 0.11 0.00 -1.11 0.00 0.00 59.98 59.01 3dr8 h ARG 129 Cb 0.20 0.01 -0.11 0.00 -0.01 0.00 0.00 29.97 30.05 3dr8 h ARG 129 CO -0.02 0.79 -0.25 1.25 -3.11 0.00 0.00 179.97 178.63 3dr8 h LEU 130 N 0.10 -0.88 -0.18 3.80 5.85 -0.88 -1.00 115.31 122.12 3dr8 h LEU 130 Ca 0.03 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 3dr8 h LEU 130 Cb 0.70 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3dr8 h LEU 130 CO 0.04 -0.27 -0.02 0.45 -0.34 0.00 0.00 178.44 178.30 3dr8 h HIS 131 N -0.11 0.36 -0.78 1.25 3.86 -1.23 -2.77 115.15 115.74 3dr8 h HIS 131 Ca 0.26 -0.07 0.07 0.00 -1.16 0.00 0.00 60.37 59.46 3dr8 h HIS 131 Cb 0.51 -0.09 -0.05 0.00 1.06 0.00 0.00 27.41 28.84 3dr8 h HIS 131 CO -0.56 0.57 0.51 1.25 0.86 0.00 0.00 177.93 180.56 3dr8 h HIS 132 N 0.06 0.83 0.00 2.45 -0.00 -1.01 -0.83 115.15 116.64 3dr8 h HIS 132 Ca 0.05 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 3dr8 h HIS 132 Cb 0.44 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 3dr8 h HIS 132 CO 0.04 0.43 0.00 0.77 -0.00 0.00 0.00 177.93 179.17 3dr8 h SER 133 N 0.81 0.00 -0.34 3.26 0.02 -1.02 -2.48 113.55 113.80 3dr8 h SER 133 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3dr8 h SER 133 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3dr8 h SER 133 CO -0.12 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.75 3dr8 n LEU 134 N -2.33 4.22 0.00 5.07 4.77 -0.41 -4.98 117.00 123.35 3dr8 n LEU 134 Ca 0.03 -2.91 0.00 0.00 -0.03 0.00 0.00 56.01 53.10 3dr8 n LEU 134 Cb 0.27 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3dr8 n LEU 134 CO 0.22 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 3dr8 n GLY 135 N -0.15 0.74 3.80 -0.72 0.00 -0.93 -5.05 105.19 102.88 3dr8 n GLY 135 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.41 3.02 0.09 1.61 0.40 -0.67 -4.81 117.98 115.20 3dr8 s PHE 136 Ca 0.00 1.56 0.06 0.00 -0.60 0.00 0.00 56.93 57.95 3dr8 s PHE 136 Cb 0.00 -3.04 -0.03 0.00 0.51 0.00 0.00 43.02 40.46 3dr8 s PHE 136 CO 0.00 -0.86 -0.16 0.95 0.70 0.00 0.00 175.22 175.85 3dr8 s THR 137 N -2.11 1.32 -0.12 0.64 -4.23 -0.42 -4.23 115.64 106.50 3dr8 s THR 137 Ca 0.66 -1.45 -0.29 0.00 -1.18 0.00 0.00 61.69 59.42 3dr8 s THR 137 Cb -0.16 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.36 3dr8 s THR 137 CO 0.24 -0.22 1.39 -0.69 -0.54 0.00 0.00 174.62 174.80 3dr8 s VAL 138 N -1.42 4.03 0.00 2.29 1.01 -1.26 -0.84 120.40 124.21 3dr8 s VAL 138 Ca 0.02 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.26 3dr8 s VAL 138 Cb -0.09 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3dr8 s VAL 138 CO 0.03 -0.10 0.31 0.35 0.00 0.00 0.00 175.10 175.69 3dr8 n THR 139 N 5.35 0.00 -3.77 3.92 -2.24 -0.36 -4.97 114.28 112.21 3dr8 n THR 139 Ca 0.15 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 3dr8 n THR 139 Cb 0.44 1.00 -0.09 0.00 -2.10 0.00 0.00 70.33 69.58 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 -0.37 -0.76 0.06 6.98 0.00 -1.08 -4.93 121.76 121.65 3dr8 s ALA 140 Ca 0.00 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 3dr8 s ALA 140 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3dr8 s ALA 140 CO 0.00 -0.23 0.02 -1.14 0.00 0.00 0.00 175.76 174.41 3dr8 s GLN 141 N -0.92 0.65 -0.10 0.00 2.00 -1.26 -2.01 119.66 118.03 3dr8 s GLN 141 Ca -0.10 -1.16 -0.07 0.00 -2.00 0.00 0.00 55.36 52.04 3dr8 s GLN 141 Cb -0.05 0.24 0.04 0.00 0.80 0.00 0.00 33.01 34.04 3dr8 s GLN 141 CO 0.03 -0.14 0.25 -1.25 -0.50 0.00 0.00 175.29 173.67 3dr8 s PRO 143 N -3.87 0.24 -1.61 1.67 0.04 -1.26 -4.98 135.00 125.22 3dr8 s PRO 143 Ca 0.06 0.45 -0.00 0.00 0.04 0.00 0.00 61.00 61.55 3dr8 s PRO 143 Cb 0.07 -0.01 0.00 0.00 0.04 0.00 0.00 34.50 34.60 3dr8 s PRO 143 CO -0.10 -0.11 0.03 1.04 0.04 0.00 0.00 177.00 177.91 3dr8 n GLN 144 N 3.69 -1.70 0.01 4.56 6.02 -1.04 -4.86 117.38 124.06 3dr8 n GLN 144 Ca -0.20 0.91 0.12 0.00 -0.01 0.00 0.00 57.00 57.82 3dr8 n GLN 144 Cb 0.55 -5.48 0.27 0.00 1.02 0.00 0.00 30.24 26.60 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 -4.04 0.04 -4.51 5.09 0.24 -0.88 -4.78 118.33 109.48 3dr8 n VAL 145 Ca -0.22 -0.03 -0.25 0.00 -2.04 0.00 0.00 64.34 61.81 3dr8 n VAL 145 Cb 0.67 0.15 -0.11 0.00 -1.47 0.00 0.00 33.84 33.09 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 -3.08 2.12 -0.01 7.63 0.00 -0.87 -4.98 107.32 108.13 3dr8 s GLY 146 Ca 0.11 -2.06 0.01 0.00 0.00 0.00 0.00 44.72 42.77 3dr8 s GLY 146 CO 0.69 -1.97 -0.02 0.14 0.00 0.00 0.00 173.10 171.94 3dr8 s VAL 147 N -2.79 0.22 0.03 1.40 1.01 -1.26 -0.44 120.40 118.57 3dr8 s VAL 147 Ca 0.32 -0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.01 3dr8 s VAL 147 Cb 0.04 -0.23 0.06 0.00 0.00 0.00 0.00 36.38 36.25 3dr8 s VAL 147 CO 0.15 0.10 0.55 -0.75 0.00 0.00 0.00 175.10 175.15 3dr8 s LYS 148 N 0.32 1.04 -1.34 2.72 2.20 -0.62 -4.90 119.74 119.17 3dr8 s LYS 148 Ca -0.03 -0.14 -0.05 0.00 -0.36 0.00 0.00 55.97 55.39 3dr8 s LYS 148 Cb -0.06 0.48 0.03 0.00 -1.51 0.00 0.00 37.83 36.77 3dr8 s LYS 148 CO -0.01 -0.37 0.39 1.19 -0.36 0.00 0.00 175.35 176.20 3dr8 n PHE 149 N 0.51 -1.72 -1.30 4.03 3.72 -1.26 -1.23 117.46 120.21 3dr8 n PHE 149 Ca -0.19 0.36 -0.10 0.00 -0.05 0.00 0.00 57.45 57.47 3dr8 n PHE 149 Cb 0.60 -3.42 -0.04 0.00 -0.94 0.00 0.00 39.48 35.68 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 -1.19 1.12 3.21 1.37 0.00 -1.26 -5.02 105.19 103.43 3dr8 n GLY 150 Ca -0.08 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.70 0.93 0.32 1.61 1.70 -0.36 -5.13 118.95 115.32 3dr8 s ARG 151 Ca 0.00 -1.26 -0.28 0.00 -0.47 0.00 0.00 55.73 53.72 3dr8 s ARG 151 Cb 0.00 -0.61 -0.09 0.00 -0.57 0.00 0.00 34.95 33.67 3dr8 s ARG 151 CO 0.00 0.09 1.16 -1.58 -1.08 0.00 0.00 175.30 173.89 3dr8 s TRP 152 N -2.66 3.32 -0.01 5.89 0.52 -1.26 -1.58 118.94 123.17 3dr8 s TRP 152 Ca 0.09 1.60 0.04 0.00 0.02 0.00 0.00 56.10 57.85 3dr8 s TRP 152 Cb -0.02 -3.39 -0.03 0.00 -1.15 0.00 0.00 33.47 28.88 3dr8 s TRP 152 CO 0.01 -1.03 -0.12 -0.51 0.02 0.00 0.00 176.95 175.31 3dr8 s LEU 153 N -1.82 2.90 0.08 2.99 1.43 0.41 -4.89 118.68 119.78 3dr8 s LEU 153 Ca 0.49 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 53.34 3dr8 s LEU 153 Cb -0.33 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 3dr8 s LEU 153 CO 0.43 0.30 0.29 -1.81 0.23 0.00 0.00 176.35 175.79 3dr8 s ASP 154 N -1.17 6.44 -0.17 2.29 1.01 -1.26 -2.04 116.67 121.77 3dr8 s ASP 154 Ca 0.14 0.46 -0.02 0.00 0.71 0.00 0.00 52.55 53.84 3dr8 s ASP 154 Cb -0.11 -2.04 -0.01 0.00 1.01 0.00 0.00 42.92 41.77 3dr8 s ASP 154 CO 0.04 0.14 -0.09 -0.22 0.21 0.00 0.00 175.17 175.25 3dr8 s LEU 155 N -2.41 2.79 -0.22 1.23 2.96 -1.26 -0.86 118.68 120.92 3dr8 s LEU 155 Ca 0.36 -0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 53.84 3dr8 s LEU 155 Cb -0.13 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 3dr8 s LEU 155 CO 0.24 0.09 0.07 -0.89 -1.32 0.00 0.00 176.35 174.54 3dr8 s THR 156 N 0.82 4.53 0.55 3.68 2.01 0.62 -4.03 115.64 123.83 3dr8 s THR 156 Ca -0.03 -0.11 0.04 0.00 0.31 0.00 0.00 61.69 61.90 3dr8 s THR 156 Cb -0.15 -3.08 0.10 0.00 0.01 0.00 0.00 72.50 69.38 3dr8 s THR 156 CO 0.01 0.39 0.76 0.49 -0.69 0.00 0.00 174.62 175.58 3dr8 n PHE 157 N 4.30 -2.71 -3.63 4.92 0.99 -0.85 -0.55 117.46 119.93 3dr8 n PHE 157 Ca -0.16 -1.63 -0.03 0.00 -0.00 0.00 0.00 57.45 55.63 3dr8 n PHE 157 Cb 0.52 -0.54 -0.02 0.00 -1.00 0.00 0.00 39.48 38.44 3dr8 n PHE 157 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.76 177.90 3dr8 s GLN 159 N -4.46 0.11 -0.08 -1.08 -2.07 -0.02 -1.22 119.66 110.84 3dr8 s GLN 159 Ca 0.54 -0.04 -0.00 0.00 -1.82 0.00 0.00 55.36 54.04 3dr8 s GLN 159 Cb -0.04 0.05 0.02 0.00 -1.09 0.00 0.00 33.01 31.96 3dr8 s GLN 159 CO 0.35 -0.05 -0.04 -1.17 -1.32 0.00 0.00 175.29 173.06 3dr8 s LEU 160 N -1.98 0.98 -0.17 2.60 2.96 -1.26 -1.30 118.68 120.51 3dr8 s LEU 160 Ca 0.11 -0.18 -0.21 0.00 -0.22 0.00 0.00 54.13 53.62 3dr8 s LEU 160 Cb -0.01 -0.61 -0.03 0.00 0.50 0.00 0.00 46.19 46.05 3dr8 s LEU 160 CO -0.03 -0.13 0.65 -1.58 -1.32 0.00 0.00 176.35 173.94 3dr8 s GLN 161 N 1.63 4.26 0.06 1.98 0.74 -1.26 -4.32 119.66 122.75 3dr8 s GLN 161 Ca 0.01 0.69 0.24 0.00 0.05 0.00 0.00 55.36 56.35 3dr8 s GLN 161 Cb -0.13 -3.55 0.31 0.00 1.10 0.00 0.00 33.01 30.74 3dr8 s GLN 161 CO -0.05 -0.19 1.27 1.28 -0.55 0.00 0.00 175.29 177.05 3dr8 n LEU 162 N 4.84 0.62 -3.87 3.68 4.77 0.13 -4.95 117.00 122.22 3dr8 n LEU 162 Ca -0.01 0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 3dr8 n LEU 162 Cb 0.50 -0.18 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 3dr8 n LEU 162 CO 0.45 0.03 0.45 1.51 -1.33 0.00 0.00 177.39 178.50 3dr8 s ASP 163 N -3.73 0.18 -0.21 -1.43 1.47 -1.26 -5.02 116.67 106.66 3dr8 s ASP 163 Ca 0.07 -1.19 0.12 0.00 1.18 0.00 0.00 52.55 52.73 3dr8 s ASP 163 Cb 0.15 0.81 0.43 0.00 -0.34 0.00 0.00 42.92 43.97 3dr8 s ASP 163 CO 0.74 -1.60 1.20 -0.62 0.68 0.00 0.00 175.17 175.57 3dr8 n GLU 164 N -0.53 1.93 -1.35 2.11 1.02 -1.26 -5.06 120.64 117.50 3dr8 n GLU 164 Ca -0.06 -3.40 -0.31 0.00 -0.02 0.00 0.00 57.16 53.37 3dr8 n GLU 164 Cb 0.60 -1.62 0.08 0.00 -0.02 0.00 0.00 31.44 30.48 3dr8 n GLU 164 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3dr8 s HIS 165 N -3.04 2.71 0.67 -0.32 3.76 -1.26 -5.03 115.29 112.78 3dr8 s HIS 165 Ca 0.40 1.47 -0.16 0.00 -0.15 0.00 0.00 55.06 56.63 3dr8 s HIS 165 Cb 0.38 -3.02 0.01 0.00 1.11 0.00 0.00 32.58 31.06 3dr8 s HIS 165 CO -0.05 -1.70 1.16 0.00 -0.85 0.00 0.00 174.74 173.30 3dr8 s ALA 166 N -2.96 2.36 0.22 -1.40 0.00 -1.26 -4.98 121.76 113.74 3dr8 s ALA 166 Ca 0.60 0.76 -0.31 0.00 0.00 0.00 0.00 51.96 53.02 3dr8 s ALA 166 Cb -0.16 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 3dr8 s ALA 166 CO 0.56 -1.45 1.50 0.00 0.00 0.00 0.00 175.76 176.37 3dr8 s ALA 167 N -2.06 3.70 0.94 0.00 0.00 -1.26 -5.00 121.76 118.08 3dr8 s ALA 167 Ca 0.72 1.37 -0.11 0.00 0.00 0.00 0.00 51.96 53.93 3dr8 s ALA 167 Cb -0.25 -3.59 0.16 0.00 0.00 0.00 0.00 23.12 19.43 3dr8 s ALA 167 CO 0.41 -0.78 1.10 -2.14 0.00 0.00 0.00 175.76 174.35 3dr8 s PRO 168 N 0.19 0.84 1.02 0.00 0.02 -1.26 -5.06 135.00 130.75 3dr8 s PRO 168 Ca 0.64 1.20 -0.13 0.00 0.02 0.00 0.00 61.00 62.73 3dr8 s PRO 168 Cb -0.43 -1.73 0.20 0.00 0.02 0.00 0.00 34.50 32.56 3dr8 s PRO 168 CO 0.39 -2.64 1.10 -0.51 -0.33 0.00 0.00 177.00 175.01 3dr8 s ASP 169 N -2.89 2.43 0.34 2.53 1.01 -1.26 -4.97 116.67 113.85 3dr8 s ASP 169 Ca 0.66 1.11 0.09 0.00 0.71 0.00 0.00 52.55 55.12 3dr8 s ASP 169 Cb -0.21 -1.75 0.82 0.00 1.01 0.00 0.00 42.92 42.79 3dr8 s ASP 169 CO 0.59 -3.25 1.82 0.00 0.21 0.00 0.00 175.17 174.55 3dr8 h ALA 170 N -1.97 1.83 0.00 5.23 0.00 -2.05 -3.55 119.26 118.75 3dr8 h ALA 170 Ca -0.54 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3dr8 h ALA 170 Cb 1.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3dr8 h ALA 170 CO 0.56 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.68