#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nwa s PRO 4 N 0.00 0.42 0.05 1.61 0.04 -1.26 -5.29 135.00 130.57 2nwa s PRO 4 Ca 0.00 0.56 -0.01 0.00 0.04 0.00 0.00 61.00 61.58 2nwa s PRO 4 Cb 0.00 0.17 -0.03 0.00 0.04 0.00 0.00 34.50 34.68 2nwa s PRO 4 CO 0.00 -0.06 -0.02 0.14 0.04 0.00 0.00 177.00 177.11 2nwa s VAL 5 N 0.53 0.20 -0.09 -0.36 -7.23 -1.26 -4.54 120.40 107.64 2nwa s VAL 5 Ca 0.00 -1.64 0.04 0.00 -1.81 0.00 0.00 61.98 58.58 2nwa s VAL 5 Cb -0.05 -1.32 -0.01 0.00 0.56 0.00 0.00 36.38 35.56 2nwa s VAL 5 CO -0.10 -0.90 -0.23 -0.70 -0.31 0.00 0.00 175.10 172.86 2nwa s GLU 6 N -3.55 2.91 -0.25 4.82 2.12 -0.30 -4.99 118.70 119.46 2nwa s GLU 6 Ca 0.03 -0.86 -0.13 0.00 0.36 0.00 0.00 54.97 54.37 2nwa s GLU 6 Cb 0.05 -2.29 -0.04 0.00 0.26 0.00 0.00 34.13 32.11 2nwa s GLU 6 CO -0.09 0.26 0.29 -0.06 -0.54 0.00 0.00 175.26 175.12 2nwa s PHE 7 N 0.15 3.28 -0.04 5.30 0.08 -1.26 0.86 117.98 126.34 2nwa s PHE 7 Ca -0.12 0.34 0.03 0.00 0.12 0.00 0.00 56.93 57.30 2nwa s PHE 7 Cb -0.16 -2.45 -0.03 0.00 -0.57 0.00 0.00 43.02 39.81 2nwa s PHE 7 CO 0.07 -0.10 -0.12 -0.80 -0.10 0.00 0.00 175.22 174.16 2nwa s ASN 8 N 1.41 4.20 -0.00 1.36 0.02 -0.59 -4.94 114.94 116.40 2nwa s ASN 8 Ca 0.12 -0.16 0.11 0.00 -1.02 0.00 0.00 52.86 51.91 2nwa s ASN 8 Cb -0.15 -0.92 -0.12 0.00 0.02 0.00 0.00 41.25 40.08 2nwa s ASN 8 CO 0.08 0.34 0.47 0.35 0.02 0.00 0.00 177.10 178.36 2nwa n THR 9 N 2.19 0.00 -4.05 1.60 -2.24 -1.26 -4.33 114.28 106.19 2nwa n THR 9 Ca -0.17 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.25 2nwa n THR 9 Cb 0.52 1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.64 2nwa n THR 9 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2nwa s LEU 10 N -2.52 2.25 -0.37 3.22 1.02 -1.26 -4.53 118.68 116.48 2nwa s LEU 10 Ca 0.04 -0.53 -0.19 0.00 0.02 0.00 0.00 54.13 53.47 2nwa s LEU 10 Cb 0.08 -0.11 0.00 0.00 0.02 0.00 0.00 46.19 46.19 2nwa s LEU 10 CO 0.45 -0.22 0.57 -0.63 0.02 0.00 0.00 176.35 176.55 2nwa s ILE 11 N -1.37 4.94 -0.43 -0.59 -1.09 -0.09 -5.02 121.20 117.56 2nwa s ILE 11 Ca -0.11 0.34 -0.05 0.00 -2.23 0.00 0.00 60.65 58.61 2nwa s ILE 11 Cb -0.10 -4.05 0.11 0.00 -1.58 0.00 0.00 42.46 36.84 2nwa s ILE 11 CO 0.00 -0.33 0.24 -0.69 -1.23 0.00 0.00 174.94 172.93 2nwa s VAL 12 N 2.57 3.56 -0.45 2.92 1.01 -1.26 -0.61 120.40 128.14 2nwa s VAL 12 Ca 0.21 -1.97 -0.22 0.00 0.00 0.00 0.00 61.98 60.01 2nwa s VAL 12 Cb -0.15 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.85 2nwa s VAL 12 CO 0.15 -0.71 0.71 0.42 0.00 0.00 0.00 175.10 175.67 2nwa s THR 13 N 1.21 4.74 0.00 3.92 -4.23 0.45 -4.91 115.64 116.83 2nwa s THR 13 Ca 0.07 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.82 2nwa s THR 13 Cb -0.24 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.34 2nwa s THR 13 CO -0.03 -0.66 1.28 0.29 -0.54 0.00 0.00 174.62 174.96 2nwa n LYS 14 N 6.48 0.70 -1.08 3.99 4.76 -1.23 -4.12 118.16 127.64 2nwa n LYS 14 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 2nwa n LYS 14 Cb 0.48 -1.15 -0.01 0.00 -1.84 0.00 0.00 35.03 32.50 2nwa n LYS 14 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2nwa n GLY 15 N 1.50 0.52 1.48 0.72 0.00 -1.26 -4.86 105.19 103.29 2nwa n GLY 15 Ca 0.00 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.95 2nwa n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2nwa n LYS 16 N -1.56 3.59 -2.53 1.61 2.85 -1.26 -4.98 118.16 115.89 2nwa n LYS 16 Ca -0.03 -2.83 -0.32 0.00 -1.05 0.00 0.00 58.31 54.08 2nwa n LYS 16 Cb 0.27 -1.84 -0.04 0.00 -0.65 0.00 0.00 35.03 32.77 2nwa n LYS 16 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2nwa s GLU 17 N -1.80 3.99 -0.07 -1.58 1.03 -1.26 -4.73 118.70 114.28 2nwa s GLU 17 Ca 0.49 0.94 0.02 0.00 0.03 0.00 0.00 54.97 56.46 2nwa s GLU 17 Cb 0.31 -2.17 0.01 0.00 -0.80 0.00 0.00 34.13 31.49 2nwa s GLU 17 CO 0.24 -0.20 -0.13 0.08 -1.33 0.00 0.00 175.26 173.92 2nwa s VAL 18 N -2.51 1.18 -0.04 1.83 1.01 -0.28 -4.94 120.40 116.65 2nwa s VAL 18 Ca 0.59 -0.51 -0.21 0.00 0.00 0.00 0.00 61.98 61.85 2nwa s VAL 18 Cb -0.10 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 2nwa s VAL 18 CO 0.28 0.36 0.61 0.00 0.00 0.00 0.00 175.10 176.35 2nwa s ARG 19 N 0.63 4.36 -0.00 2.72 1.70 -1.26 0.48 118.95 127.57 2nwa s ARG 19 Ca -0.15 0.73 0.13 0.00 -0.47 0.00 0.00 55.73 55.98 2nwa s ARG 19 Cb -0.16 -3.39 -0.15 0.00 -0.57 0.00 0.00 34.95 30.68 2nwa s ARG 19 CO 0.04 0.25 0.55 0.44 -1.08 0.00 0.00 175.30 175.50 2nwa n ILE 20 N 3.18 0.00 -1.77 4.99 -5.35 -0.93 -4.96 119.36 114.52 2nwa n ILE 20 Ca -0.05 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 2nwa n ILE 20 Cb 0.51 0.92 0.00 0.00 -1.74 0.00 0.00 39.64 39.33 2nwa n ILE 20 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2nwa n ASP 21 N -1.39 0.00 -0.07 7.28 -0.08 -1.20 -5.05 116.55 116.04 2nwa n ASP 21 Ca 0.02 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.15 2nwa n ASP 21 Cb 0.23 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.56 2nwa n ASP 21 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2nwa h GLU 22 N 0.00 0.00 -0.00 -0.67 4.11 -2.02 -3.41 114.58 112.59 2nwa h GLU 22 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2nwa h GLU 22 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2nwa h GLU 22 CO 0.00 1.00 -0.02 0.09 0.07 0.00 0.00 179.01 180.14 2nwa n ASN 23 N -4.59 1.18 -4.67 3.06 5.03 -1.26 -5.00 115.26 109.01 2nwa n ASN 23 Ca -0.13 -1.09 -0.35 0.00 0.87 0.00 0.00 54.58 53.88 2nwa n ASN 23 Cb 0.51 0.13 -0.09 0.00 -1.02 0.00 0.00 39.78 39.31 2nwa n ASN 23 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2nwa s ILE 24 N -0.46 4.83 0.49 2.41 -4.36 -1.26 -0.05 121.20 122.79 2nwa s ILE 24 Ca 0.04 -0.03 0.03 0.00 -0.26 0.00 0.00 60.65 60.43 2nwa s ILE 24 Cb 0.03 -3.15 -0.02 0.00 1.25 0.00 0.00 42.46 40.57 2nwa s ILE 24 CO 0.06 0.50 0.06 -0.36 0.24 0.00 0.00 174.94 175.44 2nwa s PHE 25 N 0.02 2.00 -0.01 1.37 0.08 0.11 -2.20 117.98 119.35 2nwa s PHE 25 Ca 0.06 -0.87 0.01 0.00 0.12 0.00 0.00 56.93 56.25 2nwa s PHE 25 Cb -0.12 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.64 2nwa s PHE 25 CO 0.01 0.19 -0.04 0.95 -0.10 0.00 0.00 175.22 176.23 2nwa s THR 26 N -2.82 0.37 -0.04 0.64 -4.23 0.18 -1.34 115.64 108.39 2nwa s THR 26 Ca 0.16 -0.16 0.03 0.00 -1.18 0.00 0.00 61.69 60.53 2nwa s THR 26 Cb 0.03 -0.34 0.01 0.00 1.34 0.00 0.00 72.50 73.54 2nwa s THR 26 CO 0.09 0.12 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.97 2nwa s LEU 27 N 0.13 1.74 -0.19 4.79 0.20 0.50 -1.13 118.68 124.72 2nwa s LEU 27 Ca -0.01 -0.22 -0.05 0.00 0.69 0.00 0.00 54.13 54.54 2nwa s LEU 27 Cb -0.05 -0.64 -0.03 0.00 -0.43 0.00 0.00 46.19 45.05 2nwa s LEU 27 CO -0.00 0.06 -0.01 -0.70 -0.29 0.00 0.00 176.35 175.41 2nwa s GLU 28 N 0.32 3.65 0.21 1.98 2.12 -1.26 0.56 118.70 126.28 2nwa s GLU 28 Ca -0.06 -0.51 0.11 0.00 0.36 0.00 0.00 54.97 54.87 2nwa s GLU 28 Cb -0.11 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.20 2nwa s GLU 28 CO 0.01 0.09 -0.21 0.15 -0.54 0.00 0.00 175.26 174.77 2nwa s LYS 29 N 0.78 1.65 -0.00 4.30 -0.14 0.60 -4.97 119.74 121.97 2nwa s LYS 29 Ca 0.00 -1.55 -0.22 0.00 -1.36 0.00 0.00 55.97 52.84 2nwa s LYS 29 Cb -0.14 -1.88 -0.05 0.00 -1.68 0.00 0.00 37.83 34.08 2nwa s LYS 29 CO 0.02 0.39 0.66 0.34 -0.76 0.00 0.00 175.35 176.00 2nwa s ASP 30 N -2.92 7.05 0.00 2.83 -1.08 -1.26 -0.11 116.67 121.18 2nwa s ASP 30 Ca 0.24 1.25 0.00 0.00 -0.52 0.00 0.00 52.55 53.52 2nwa s ASP 30 Cb -0.07 -2.40 0.00 0.00 -1.46 0.00 0.00 42.92 38.98 2nwa s ASP 30 CO 0.12 0.04 0.00 0.61 0.52 0.00 0.00 175.17 176.46 2nwa n GLY 31 N 2.55 -0.32 3.56 2.66 0.00 0.23 -4.81 105.19 109.06 2nwa n GLY 31 Ca -0.05 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 2nwa n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nwa s TYR 32 N -2.80 2.58 0.21 1.61 2.02 -1.26 -3.07 117.35 116.64 2nwa s TYR 32 Ca 0.00 0.21 0.00 0.00 -0.37 0.00 0.00 57.07 56.91 2nwa s TYR 32 Cb 0.00 -4.45 -0.04 0.00 -0.40 0.00 0.00 41.96 37.07 2nwa s TYR 32 CO 0.00 -1.65 0.39 1.03 -1.57 0.00 0.00 175.55 173.75 2nwa s ARG 33 N 4.90 3.50 -0.18 -0.62 3.00 -1.26 -1.15 118.95 127.15 2nwa s ARG 33 Ca 0.38 -0.41 0.00 0.00 0.00 0.00 0.00 55.73 55.71 2nwa s ARG 33 Cb -0.09 -2.85 0.01 0.00 0.00 0.00 0.00 34.95 32.02 2nwa s ARG 33 CO 0.22 0.40 -0.16 0.08 0.00 0.00 0.00 175.30 175.83 2nwa s VAL 34 N -1.89 2.42 0.04 3.52 1.01 0.25 -4.85 120.40 120.90 2nwa s VAL 34 Ca 0.38 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.62 2nwa s VAL 34 Cb -0.11 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2nwa s VAL 34 CO 0.29 0.51 -0.26 -0.31 0.00 0.00 0.00 175.10 175.34 2nwa s TYR 35 N 1.16 2.25 0.00 5.22 2.02 -1.26 -1.54 117.35 125.20 2nwa s TYR 35 Ca 0.01 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.30 2nwa s TYR 35 Cb -0.14 -1.36 0.00 0.00 -0.40 0.00 0.00 41.96 40.06 2nwa s TYR 35 CO -0.07 0.11 0.00 -2.30 -1.57 0.00 0.00 175.55 171.71 2nwa n PRO 36 N 1.85 -0.75 0.00 -1.71 -0.02 -1.26 -5.06 135.00 128.06 2nwa n PRO 36 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2nwa n PRO 36 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 2nwa n PRO 36 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2nwa n GLU 38 N -1.20 0.00 -3.71 -0.52 4.07 -1.06 -4.53 120.64 113.68 2nwa n GLU 38 Ca 0.00 0.00 -0.36 0.00 -0.06 0.00 0.00 57.16 56.74 2nwa n GLU 38 Cb 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.31 2nwa n GLU 38 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2nwa s ILE 39 N 0.00 5.40 0.73 6.31 1.01 -1.26 -4.94 121.20 128.44 2nwa s ILE 39 Ca 0.00 0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.81 2nwa s ILE 39 Cb 0.00 -3.50 0.03 0.00 0.01 0.00 0.00 42.46 39.01 2nwa s ILE 39 CO 0.00 0.47 1.10 -2.16 0.00 0.00 0.00 174.94 174.35 2nwa s PRO 40 N 0.09 2.46 -0.01 2.79 0.04 -1.26 -4.44 135.00 134.67 2nwa s PRO 40 Ca 0.11 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.39 2nwa s PRO 40 Cb -0.12 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2nwa s PRO 40 CO 0.01 -1.49 0.17 -0.51 0.04 0.00 0.00 177.00 175.21 2nwa s ASP 42 N -3.06 6.26 -0.04 6.66 1.11 -1.26 -4.97 116.67 121.37 2nwa s ASP 42 Ca 0.63 0.31 0.03 0.00 0.18 0.00 0.00 52.55 53.71 2nwa s ASP 42 Cb -0.19 -1.94 0.00 0.00 1.07 0.00 0.00 42.92 41.86 2nwa s ASP 42 CO 0.50 0.26 -0.13 0.68 1.18 0.00 0.00 175.17 177.67 2nwa s VAL 43 N -1.31 1.11 0.07 -1.27 -7.23 -0.55 -0.92 120.40 110.30 2nwa s VAL 43 Ca 0.27 -0.52 -0.06 0.00 -1.81 0.00 0.00 61.98 59.86 2nwa s VAL 43 Cb -0.13 -0.97 -0.02 0.00 0.56 0.00 0.00 36.38 35.83 2nwa s VAL 43 CO 0.18 0.33 0.10 0.00 -0.31 0.00 0.00 175.10 175.41 2nwa s ARG 44 N 0.23 0.72 0.03 4.82 1.70 0.22 -0.77 118.95 125.90 2nwa s ARG 44 Ca -0.06 -1.01 -0.19 0.00 -0.47 0.00 0.00 55.73 54.01 2nwa s ARG 44 Cb -0.11 0.28 -0.19 0.00 -0.57 0.00 0.00 34.95 34.36 2nwa s ARG 44 CO 0.02 -0.19 1.20 -0.22 -1.08 0.00 0.00 175.30 175.02 2nwa h LYS 45 N 3.04 0.48 0.00 3.89 1.63 -1.81 0.13 116.57 123.92 2nwa h LYS 45 Ca -0.34 -0.41 -0.22 0.00 -0.85 0.00 0.00 60.65 58.82 2nwa h LYS 45 Cb 1.18 0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 32.84 2nwa h LYS 45 CO 0.58 1.05 -0.21 -2.37 -3.45 0.00 0.00 179.45 175.05 2nwa n THR 46 N -4.25 0.00 0.29 1.00 5.66 -1.26 -3.53 114.28 112.19 2nwa n THR 46 Ca -0.09 -1.11 0.14 0.00 -3.05 0.00 0.00 64.05 59.94 2nwa n THR 46 Cb 0.61 0.53 0.38 0.00 -1.55 0.00 0.00 70.33 70.30 2nwa n THR 46 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2nwa h LYS 47 N 0.00 0.00 -1.40 1.09 1.57 -1.99 -3.41 116.57 112.43 2nwa h LYS 47 Ca -0.11 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.28 2nwa h LYS 47 Cb 0.55 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.69 2nwa h LYS 47 CO 0.17 0.00 0.50 1.19 -0.57 0.00 0.00 179.45 180.74 2nwa n PHE 48 N -2.97 1.86 0.00 -1.35 3.72 -1.26 -5.11 117.46 112.35 2nwa n PHE 48 Ca 0.03 -2.12 0.00 0.00 -0.05 0.00 0.00 57.45 55.31 2nwa n PHE 48 Cb 0.43 -1.03 0.00 0.00 -0.94 0.00 0.00 39.48 37.94 2nwa n PHE 48 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2nwa n GLU 50 N 0.07 0.00 -1.69 -1.08 4.07 -1.26 -5.12 120.64 115.63 2nwa n GLU 50 Ca 0.36 0.00 -0.57 0.00 -0.06 0.00 0.00 57.16 56.89 2nwa n GLU 50 Cb 0.63 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.94 2nwa n GLU 50 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2nwa n LYS 51 N 0.00 1.09 0.03 5.31 4.81 -1.26 -4.59 118.16 123.55 2nwa n LYS 51 Ca 0.00 0.40 0.11 0.00 -0.87 0.00 0.00 58.31 57.95 2nwa n LYS 51 Cb 0.00 -2.06 -0.09 0.00 0.02 0.00 0.00 35.03 32.90 2nwa n LYS 51 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2nwa n SER 52 N 4.69 0.40 0.00 3.14 2.88 0.05 -4.11 113.62 120.67 2nwa n SER 52 Ca 0.25 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 2nwa n SER 52 Cb 0.13 1.29 0.00 0.00 -0.75 0.00 0.00 64.21 64.88 2nwa n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2nwa n GLY 53 N 1.25 -1.37 3.29 0.46 0.00 -1.05 -1.94 105.19 105.83 2nwa n GLY 53 Ca -0.02 -1.17 -0.27 0.00 0.00 0.00 0.00 46.02 44.57 2nwa n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nwa s THR 54 N -3.00 1.82 0.26 2.61 2.01 -0.41 -1.48 115.64 117.46 2nwa s THR 54 Ca 0.00 -1.32 -0.11 0.00 0.31 0.00 0.00 61.69 60.57 2nwa s THR 54 Cb 0.00 -1.59 -0.01 0.00 0.01 0.00 0.00 72.50 70.92 2nwa s THR 54 CO 0.00 0.20 0.46 0.00 -0.69 0.00 0.00 174.62 174.59 2nwa s ALA 55 N -0.86 -0.00 -0.06 7.40 0.00 -1.26 -0.65 121.76 126.32 2nwa s ALA 55 Ca 0.09 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 2nwa s ALA 55 Cb -0.09 1.10 0.04 0.00 0.00 0.00 0.00 23.12 24.16 2nwa s ALA 55 CO 0.02 -0.83 0.09 -1.21 0.00 0.00 0.00 175.76 173.84 2nwa s GLU 56 N -3.86 -0.03 0.15 0.00 2.02 -0.52 -4.25 118.70 112.20 2nwa s GLU 56 Ca 0.25 0.40 -0.31 0.00 0.02 0.00 0.00 54.97 55.33 2nwa s GLU 56 Cb -0.00 -0.53 -0.10 0.00 0.10 0.00 0.00 34.13 33.59 2nwa s GLU 56 CO 0.11 -0.35 1.68 0.08 0.02 0.00 0.00 175.26 176.79 2nwa s VAL 57 N 2.21 2.54 -0.20 2.63 1.01 -1.26 -1.20 120.40 126.12 2nwa s VAL 57 Ca 0.04 0.27 0.18 0.00 0.00 0.00 0.00 61.98 62.47 2nwa s VAL 57 Cb -0.12 -3.17 -0.25 0.00 0.00 0.00 0.00 36.38 32.83 2nwa s VAL 57 CO -0.04 0.01 0.08 0.00 0.00 0.00 0.00 175.10 175.15 2nwa n GLN 58 N 4.65 0.69 -3.76 2.72 1.13 0.14 -2.57 117.38 120.38 2nwa n GLN 58 Ca 0.16 -0.02 -0.13 0.00 -1.94 0.00 0.00 57.00 55.07 2nwa n GLN 58 Cb 0.38 -1.52 -0.09 0.00 0.11 0.00 0.00 30.24 29.12 2nwa n GLN 58 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2nwa s LYS 59 N -2.52 0.64 -0.05 -1.09 2.20 -0.93 -4.97 119.74 113.03 2nwa s LYS 59 Ca -0.10 -0.10 -0.02 0.00 -0.36 0.00 0.00 55.97 55.39 2nwa s LYS 59 Cb 0.06 0.29 0.03 0.00 -1.51 0.00 0.00 37.83 36.70 2nwa s LYS 59 CO 0.83 -0.17 0.10 -1.17 -0.36 0.00 0.00 175.35 174.59 2nwa s LEU 60 N -1.13 0.87 0.04 5.43 0.20 -1.26 -0.94 118.68 121.88 2nwa s LEU 60 Ca -0.12 0.21 0.03 0.00 0.69 0.00 0.00 54.13 54.94 2nwa s LEU 60 Cb -0.05 0.21 -0.02 0.00 -0.43 0.00 0.00 46.19 45.91 2nwa s LEU 60 CO 0.04 -0.14 -0.09 0.00 -0.29 0.00 0.00 176.35 175.87 2nwa s GLN 61 N 1.11 0.57 -0.06 1.98 -2.07 -1.01 -5.02 119.66 115.16 2nwa s GLN 61 Ca -0.09 -0.70 0.03 0.00 -1.82 0.00 0.00 55.36 52.78 2nwa s GLN 61 Cb -0.12 -0.41 -0.02 0.00 -1.09 0.00 0.00 33.01 31.37 2nwa s GLN 61 CO -0.05 0.08 -0.15 -1.58 -1.32 0.00 0.00 175.29 172.28 2nwa s TRP 62 N -1.16 2.70 -0.29 9.60 0.51 -1.26 -1.86 118.94 127.16 2nwa s TRP 62 Ca -0.07 -0.22 -0.16 0.00 -2.12 0.00 0.00 56.10 53.53 2nwa s TRP 62 Cb -0.09 -1.64 0.16 0.00 -0.81 0.00 0.00 33.47 31.09 2nwa s TRP 62 CO 0.01 0.14 1.03 -2.00 -0.51 0.00 0.00 176.95 175.61 2nwa s GLU 63 N -0.62 0.31 -0.96 4.98 2.12 -0.46 -5.02 118.70 119.05 2nwa s GLU 63 Ca 0.09 0.57 -0.11 0.00 0.36 0.00 0.00 54.97 55.88 2nwa s GLU 63 Cb -0.11 0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.40 2nwa s GLU 63 CO 0.01 -0.07 0.70 0.39 -0.54 0.00 0.00 175.26 175.75 2nwa n GLU 64 N 3.83 -1.24 -0.49 4.30 1.02 -1.26 -1.58 120.64 125.22 2nwa n GLU 64 Ca -0.17 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 2nwa n GLU 64 Cb 0.57 -3.63 0.00 0.00 -0.02 0.00 0.00 31.44 28.35 2nwa n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nwa n GLY 65 N -1.73 0.00 3.47 0.62 0.00 -1.26 -4.91 105.19 101.38 2nwa n GLY 65 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 2nwa n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nwa s ARG 66 N -0.98 1.67 -0.04 1.61 0.52 -0.61 0.76 118.95 121.87 2nwa s ARG 66 Ca 0.00 -1.78 0.03 0.00 -0.52 0.00 0.00 55.73 53.45 2nwa s ARG 66 Cb 0.00 -1.67 0.01 0.00 0.52 0.00 0.00 34.95 33.81 2nwa s ARG 66 CO 0.00 0.27 -0.11 -0.08 0.02 0.00 0.00 175.30 175.40 2nwa s THR 67 N -2.59 0.97 -0.13 0.02 -1.32 0.84 -1.36 115.64 112.07 2nwa s THR 67 Ca 0.30 -0.43 0.01 0.00 -1.21 0.00 0.00 61.69 60.35 2nwa s THR 67 Cb -0.03 -0.87 0.02 0.00 -1.51 0.00 0.00 72.50 70.11 2nwa s THR 67 CO 0.14 0.30 -0.14 -0.51 -2.21 0.00 0.00 174.62 172.20 2nwa s ILE 68 N 0.37 1.52 0.14 5.08 2.07 -0.78 0.22 121.20 129.82 2nwa s ILE 68 Ca -0.07 -0.62 0.06 0.00 -1.41 0.00 0.00 60.65 58.60 2nwa s ILE 68 Cb -0.12 -1.41 -0.04 0.00 0.13 0.00 0.00 42.46 41.02 2nwa s ILE 68 CO 0.02 0.45 0.02 0.27 -1.91 0.00 0.00 174.94 173.79 2nwa s ILE 69 N 1.27 3.97 -0.25 2.00 -4.36 0.19 -2.40 121.20 121.62 2nwa s ILE 69 Ca -0.00 -1.20 0.02 0.00 -0.26 0.00 0.00 60.65 59.21 2nwa s ILE 69 Cb -0.14 -2.96 0.06 0.00 1.25 0.00 0.00 42.46 40.66 2nwa s ILE 69 CO -0.06 -0.03 -0.11 -0.89 0.24 0.00 0.00 174.94 174.09 2nwa s THR 70 N -1.58 2.03 0.22 8.37 2.01 -0.12 -0.37 115.64 126.21 2nwa s THR 70 Ca 0.27 -1.49 0.11 0.00 0.31 0.00 0.00 61.69 60.90 2nwa s THR 70 Cb -0.10 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 2nwa s THR 70 CO 0.19 0.01 -0.19 -0.72 -0.69 0.00 0.00 174.62 173.23 2nwa s TYR 71 N 1.18 2.37 -0.30 4.92 -0.85 -0.45 0.25 117.35 124.47 2nwa s TYR 71 Ca -0.07 -0.32 -0.09 0.00 -0.52 0.00 0.00 57.07 56.07 2nwa s TYR 71 Cb -0.19 -1.12 -0.01 0.00 0.38 0.00 0.00 41.96 41.02 2nwa s TYR 71 CO -0.06 0.58 0.13 0.21 -1.52 0.00 0.00 175.55 174.89 2nwa s LYS 72 N -3.02 3.38 -0.21 -3.49 2.20 -0.34 0.06 119.74 118.31 2nwa s LYS 72 Ca 0.25 -0.69 -0.29 0.00 -0.36 0.00 0.00 55.97 54.88 2nwa s LYS 72 Cb -0.07 -3.51 -0.01 0.00 -1.51 0.00 0.00 37.83 32.73 2nwa s LYS 72 CO 0.13 -0.38 1.29 -1.17 -0.36 0.00 0.00 175.35 174.86 2nwa s LEU 73 N 1.61 4.07 0.00 5.43 2.96 0.92 -1.44 118.68 132.23 2nwa s LEU 73 Ca 0.05 1.53 0.22 0.00 -0.22 0.00 0.00 54.13 55.71 2nwa s LEU 73 Cb -0.17 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 2nwa s LEU 73 CO 0.06 -0.89 1.05 0.35 -1.32 0.00 0.00 176.35 175.59 2nwa n THR 74 N 5.70 0.00 -3.63 3.68 -2.24 0.18 -4.90 114.28 113.08 2nwa n THR 74 Ca 0.14 -0.12 -0.03 0.00 -2.27 0.00 0.00 64.05 61.77 2nwa n THR 74 Cb 0.45 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.69 2nwa n THR 74 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2nwa s SER 75 N -2.74 -0.07 0.04 3.42 1.04 -1.12 -4.94 113.70 109.32 2nwa s SER 75 Ca 0.14 0.04 0.04 0.00 0.48 0.00 0.00 55.95 56.64 2nwa s SER 75 Cb 0.17 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 2nwa s SER 75 CO 0.71 -0.09 -0.03 -0.76 0.98 0.00 0.00 173.24 174.04 2nwa s LEU 76 N -1.63 3.34 0.00 2.42 1.02 -1.26 -1.28 118.68 121.29 2nwa s LEU 76 Ca 0.09 -0.14 0.00 0.00 0.02 0.00 0.00 54.13 54.11 2nwa s LEU 76 Cb -0.01 -1.99 0.00 0.00 0.02 0.00 0.00 46.19 44.21 2nwa s LEU 76 CO -0.05 0.24 0.00 1.57 0.02 0.00 0.00 176.35 178.13 2nwa n HIS 77 N 1.14 0.00 -1.91 0.29 -0.00 -0.82 -4.75 115.22 109.17 2nwa n HIS 77 Ca -0.14 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.63 2nwa n HIS 77 Cb 0.52 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.39 2nwa n HIS 77 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2nwa n SER 78 N 0.00 5.11 -4.55 0.26 7.64 -1.26 -4.92 113.62 115.89 2nwa n SER 78 Ca 0.00 -2.93 -0.39 0.00 1.01 0.00 0.00 58.87 56.56 2nwa n SER 78 Cb 0.00 -1.56 -0.03 0.00 -1.01 0.00 0.00 64.21 61.60 2nwa n SER 78 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2nwa s VAL 79 N 1.80 3.58 0.94 0.44 0.11 -1.26 -4.98 120.40 121.03 2nwa s VAL 79 Ca 0.47 0.22 -0.11 0.00 -2.93 0.00 0.00 61.98 59.64 2nwa s VAL 79 Cb 0.13 -4.50 0.16 0.00 -1.53 0.00 0.00 36.38 30.64 2nwa s VAL 79 CO -0.05 -1.45 1.12 0.21 -3.33 0.00 0.00 175.10 171.59 2nwa s ASN 80 N 5.72 2.81 0.00 3.54 2.47 -1.26 -5.22 114.94 123.00 2nwa s ASN 80 Ca 0.50 1.98 0.03 0.00 0.42 0.00 0.00 52.86 55.79 2nwa s ASN 80 Cb -0.09 -2.49 0.20 0.00 -1.45 0.00 0.00 41.25 37.41 2nwa s ASN 80 CO 0.15 -3.14 0.68 0.00 -3.72 0.00 0.00 177.10 171.07