#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 0.27 0.05 1.61 0.04 -1.26 -5.27 135.00 130.43 2nwa s PRO 4 Ca 0.00 0.41 -0.00 0.00 0.04 0.00 0.00 61.00 61.44 2nwa s PRO 4 Cb 0.00 0.08 -0.04 0.00 0.04 0.00 0.00 34.50 34.59 2nwa s PRO 4 CO 0.00 -0.05 -0.04 0.14 0.04 0.00 0.00 177.00 177.10 2nwa s VAL 5 N 0.83 0.26 -0.09 -0.36 -7.23 -1.26 -4.55 120.40 108.00 2nwa s VAL 5 Ca -0.04 -1.60 0.04 0.00 -1.81 0.00 0.00 61.98 58.57 2nwa s VAL 5 Cb -0.04 -1.23 -0.01 0.00 0.56 0.00 0.00 36.38 35.67 2nwa s VAL 5 CO -0.12 -0.85 -0.22 -0.70 -0.31 0.00 0.00 175.10 172.90 2nwa s GLU 6 N -3.28 2.98 -0.24 4.82 2.12 -0.15 -4.99 118.70 119.96 2nwa s GLU 6 Ca 0.02 -0.84 -0.14 0.00 0.36 0.00 0.00 54.97 54.37 2nwa s GLU 6 Cb 0.03 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 32.04 2nwa s GLU 6 CO -0.07 0.25 0.33 -0.06 -0.54 0.00 0.00 175.26 175.17 2nwa s PHE 7 N 0.18 3.31 -0.06 5.30 0.08 -1.26 0.88 117.98 126.41 2nwa s PHE 7 Ca -0.13 0.44 0.03 0.00 0.12 0.00 0.00 56.93 57.40 2nwa s PHE 7 Cb -0.16 -2.48 -0.02 0.00 -0.57 0.00 0.00 43.02 39.78 2nwa s PHE 7 CO 0.07 -0.08 -0.16 -0.80 -0.10 0.00 0.00 175.22 174.15 2nwa s ASN 8 N 1.29 3.87 -0.00 1.36 0.02 -0.55 -4.94 114.94 115.98 2nwa s ASN 8 Ca 0.15 -0.27 0.14 0.00 -1.02 0.00 0.00 52.86 51.86 2nwa s ASN 8 Cb -0.15 -0.97 -0.16 0.00 0.02 0.00 0.00 41.25 39.99 2nwa s ASN 8 CO 0.08 0.30 0.59 0.35 0.02 0.00 0.00 177.10 178.44 2nwa n THR 9 N 2.62 0.00 -4.08 1.60 -2.24 -1.26 -4.34 114.28 106.58 2nwa n THR 9 Ca -0.17 -0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 2nwa n THR 9 Cb 0.52 0.94 -0.11 0.00 -2.10 0.00 0.00 70.33 69.58 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 -2.77 2.28 -0.37 3.22 1.02 -1.26 -4.52 118.68 116.28 2nwa s LEU 10 Ca 0.05 -0.59 -0.18 0.00 0.02 0.00 0.00 54.13 53.42 2nwa s LEU 10 Cb 0.11 -0.19 0.00 0.00 0.02 0.00 0.00 46.19 46.13 2nwa s LEU 10 CO 0.59 -0.21 0.51 -0.63 0.02 0.00 0.00 176.35 176.63 2nwa s ILE 11 N -1.55 5.02 -0.40 -0.59 -1.09 -0.42 -5.02 121.20 117.15 2nwa s ILE 11 Ca -0.07 0.22 -0.05 0.00 -2.23 0.00 0.00 60.65 58.52 2nwa s ILE 11 Cb -0.09 -3.99 0.09 0.00 -1.58 0.00 0.00 42.46 36.90 2nwa s ILE 11 CO 0.00 -0.27 0.20 -0.69 -1.23 0.00 0.00 174.94 172.95 2nwa s VAL 12 N 2.38 3.56 -0.42 2.92 1.01 -1.26 -0.70 120.40 127.89 2nwa s VAL 12 Ca 0.18 -1.75 -0.20 0.00 0.00 0.00 0.00 61.98 60.20 2nwa s VAL 12 Cb -0.16 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 32.95 2nwa s VAL 12 CO 0.14 -0.55 0.63 0.42 0.00 0.00 0.00 175.10 175.74 2nwa s THR 13 N 1.25 4.85 0.00 3.92 -4.23 0.26 -4.92 115.64 116.77 2nwa s THR 13 Ca 0.04 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 2nwa s THR 13 Cb -0.23 -4.17 0.00 0.00 1.34 0.00 0.00 72.50 69.45 2nwa s THR 13 CO -0.02 -0.52 1.11 0.29 -0.54 0.00 0.00 174.62 174.94 2nwa n LYS 14 N 6.19 0.69 -1.00 3.99 4.76 -1.24 -4.15 118.16 127.39 2nwa n LYS 14 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2nwa n LYS 14 Cb 0.48 -1.16 0.00 0.00 -1.84 0.00 0.00 35.03 32.51 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 1.28 0.34 1.41 0.72 0.00 -1.26 -4.87 105.19 102.81 2nwa n GLY 15 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.69 3.13 -2.33 1.61 2.85 -1.26 -4.99 118.16 115.48 2nwa n LYS 16 Ca 0.00 -2.73 -0.33 0.00 -1.05 0.00 0.00 58.31 54.20 2nwa n LYS 16 Cb 0.16 -1.68 -0.02 0.00 -0.65 0.00 0.00 35.03 32.84 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 -1.34 3.76 -0.07 -1.58 1.03 -1.26 -4.75 118.70 114.49 2nwa s GLU 17 Ca 0.49 1.08 0.02 0.00 0.03 0.00 0.00 54.97 56.58 2nwa s GLU 17 Cb 0.28 -2.10 0.01 0.00 -0.80 0.00 0.00 34.13 31.52 2nwa s GLU 17 CO 0.29 -0.43 -0.13 0.08 -1.33 0.00 0.00 175.26 173.74 2nwa s VAL 18 N -2.49 1.20 -0.08 1.83 1.01 -0.12 -4.94 120.40 116.81 2nwa s VAL 18 Ca 0.61 -0.50 -0.23 0.00 0.00 0.00 0.00 61.98 61.87 2nwa s VAL 18 Cb -0.12 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2nwa s VAL 18 CO 0.31 0.37 0.66 0.00 0.00 0.00 0.00 175.10 176.44 2nwa s ARG 19 N 0.77 4.42 -0.01 2.72 1.70 -1.26 0.37 118.95 127.66 2nwa s ARG 19 Ca -0.12 0.81 0.17 0.00 -0.47 0.00 0.00 55.73 56.11 2nwa s ARG 19 Cb -0.16 -3.45 -0.21 0.00 -0.57 0.00 0.00 34.95 30.57 2nwa s ARG 19 CO 0.02 0.08 0.63 0.44 -1.08 0.00 0.00 175.30 175.39 2nwa n ILE 20 N 3.76 0.00 -1.61 4.99 -5.35 -0.99 -4.97 119.36 115.19 2nwa n ILE 20 Ca -0.02 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 2nwa n ILE 20 Cb 0.51 0.77 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 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 -1.58 0.09 -0.06 7.28 -0.08 -1.20 -5.05 116.55 115.95 2nwa n ASP 21 Ca 0.02 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.13 2nwa n ASP 21 Cb 0.31 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.64 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 0.05 -0.00 -0.67 4.11 -2.02 -3.41 114.58 112.63 2nwa h GLU 22 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.35 2nwa h GLU 22 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2nwa h GLU 22 CO 0.00 1.04 0.00 0.09 0.07 0.00 0.00 179.01 180.21 2nwa n ASN 23 N -4.47 1.10 -4.62 3.06 5.03 -1.26 -5.00 115.26 109.09 2nwa n ASN 23 Ca -0.17 -1.09 -0.34 0.00 0.87 0.00 0.00 54.58 53.85 2nwa n ASN 23 Cb 0.59 -0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 39.25 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 -0.09 4.56 0.47 2.41 -4.36 -1.26 -0.09 121.20 122.84 2nwa s ILE 24 Ca 0.00 -0.12 0.04 0.00 -0.26 0.00 0.00 60.65 60.31 2nwa s ILE 24 Cb 0.00 -3.03 -0.04 0.00 1.25 0.00 0.00 42.46 40.65 2nwa s ILE 24 CO 0.00 0.49 0.07 -0.36 0.24 0.00 0.00 174.94 175.38 2nwa s PHE 25 N 0.19 2.16 -0.02 1.37 0.08 0.23 -2.35 117.98 119.64 2nwa s PHE 25 Ca 0.03 -0.80 0.02 0.00 0.12 0.00 0.00 56.93 56.30 2nwa s PHE 25 Cb -0.13 -1.74 0.00 0.00 -0.57 0.00 0.00 43.02 40.58 2nwa s PHE 25 CO 0.01 0.23 -0.08 0.95 -0.10 0.00 0.00 175.22 176.23 2nwa s THR 26 N -2.77 0.70 -0.04 0.64 -4.23 0.16 -0.97 115.64 109.12 2nwa s THR 26 Ca 0.23 -0.32 0.03 0.00 -1.18 0.00 0.00 61.69 60.44 2nwa s THR 26 Cb 0.04 -0.62 0.01 0.00 1.34 0.00 0.00 72.50 73.27 2nwa s THR 26 CO 0.12 0.22 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.09 2nwa s LEU 27 N 0.16 1.72 -0.21 4.79 0.20 0.41 -0.95 118.68 124.81 2nwa s LEU 27 Ca -0.02 -0.24 -0.05 0.00 0.69 0.00 0.00 54.13 54.51 2nwa s LEU 27 Cb -0.08 -0.69 -0.02 0.00 -0.43 0.00 0.00 46.19 44.97 2nwa s LEU 27 CO 0.00 0.06 0.00 -0.70 -0.29 0.00 0.00 176.35 175.42 2nwa s GLU 28 N 0.37 3.60 0.22 1.98 2.12 -1.26 -0.01 118.70 125.72 2nwa s GLU 28 Ca -0.07 -0.53 0.10 0.00 0.36 0.00 0.00 54.97 54.83 2nwa s GLU 28 Cb -0.12 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 2nwa s GLU 28 CO 0.02 -0.02 -0.14 0.15 -0.54 0.00 0.00 175.26 174.73 2nwa s LYS 29 N 1.09 1.89 0.11 4.30 -0.14 0.12 -4.99 119.74 122.12 2nwa s LYS 29 Ca 0.02 -1.46 -0.24 0.00 -1.36 0.00 0.00 55.97 52.93 2nwa s LYS 29 Cb -0.14 -2.00 -0.07 0.00 -1.68 0.00 0.00 37.83 33.93 2nwa s LYS 29 CO 0.01 0.39 0.72 0.34 -0.76 0.00 0.00 175.35 176.06 2nwa s ASP 30 N -3.08 7.26 0.00 2.83 -1.08 -1.26 -1.45 116.67 119.89 2nwa s ASP 30 Ca 0.26 1.50 0.00 0.00 -0.52 0.00 0.00 52.55 53.79 2nwa s ASP 30 Cb -0.07 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 38.93 2nwa s ASP 30 CO 0.15 0.17 0.00 0.61 0.52 0.00 0.00 175.17 176.62 2nwa n GLY 31 N 1.86 -1.92 3.57 2.66 0.00 0.42 -4.79 105.19 106.98 2nwa n GLY 31 Ca -0.06 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.07 2.29 0.10 1.61 2.02 -1.25 -3.03 117.35 116.02 2nwa s TYR 32 Ca 0.00 0.35 -0.01 0.00 -0.37 0.00 0.00 57.07 57.05 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 -1.96 0.26 1.03 -1.57 0.00 0.00 175.55 173.31 2nwa s ARG 33 N 5.59 3.48 -0.21 -0.62 3.00 -1.26 -0.98 118.95 127.96 2nwa s ARG 33 Ca 0.48 -0.38 -0.03 0.00 0.00 0.00 0.00 55.73 55.80 2nwa s ARG 33 Cb -0.10 -2.98 -0.00 0.00 0.00 0.00 0.00 34.95 31.87 2nwa s ARG 33 CO 0.22 0.56 -0.08 0.08 0.00 0.00 0.00 175.30 176.08 2nwa s VAL 34 N -1.59 3.12 0.04 3.52 1.01 0.26 -4.87 120.40 121.89 2nwa s VAL 34 Ca 0.36 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.85 2nwa s VAL 34 Cb -0.12 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 2nwa s VAL 34 CO 0.27 0.45 -0.26 -0.31 0.00 0.00 0.00 175.10 175.25 2nwa s TYR 35 N 1.35 2.30 0.00 5.22 2.02 -1.26 -1.49 117.35 125.49 2nwa s TYR 35 Ca 0.04 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.33 2nwa s TYR 35 Cb -0.14 -1.39 0.00 0.00 -0.40 0.00 0.00 41.96 40.03 2nwa s TYR 35 CO -0.04 0.12 0.00 -2.30 -1.57 0.00 0.00 175.55 171.75 2nwa n PRO 36 N 1.81 -0.45 0.00 -1.71 -0.02 -1.26 -5.06 135.00 128.31 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 -0.98 0.00 -3.66 -0.52 4.07 -1.03 -4.47 120.64 114.05 2nwa n GLU 38 Ca 0.00 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.73 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 5.32 0.71 6.31 1.01 -1.26 -4.94 121.20 128.34 2nwa s ILE 39 Ca 0.00 0.47 -0.12 0.00 0.00 0.00 0.00 60.65 61.00 2nwa s ILE 39 Cb 0.00 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.93 2nwa s ILE 39 CO 0.00 0.51 1.08 -2.16 0.00 0.00 0.00 174.94 174.37 2nwa s PRO 40 N -0.39 2.70 -0.03 2.79 0.04 -1.26 -4.39 135.00 134.47 2nwa s PRO 40 Ca 0.17 1.12 -0.02 0.00 0.04 0.00 0.00 61.00 62.31 2nwa s PRO 40 Cb -0.13 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2nwa s PRO 40 CO 0.05 -1.29 0.12 -0.51 0.04 0.00 0.00 177.00 175.41 2nwa s ASP 42 N -3.36 6.02 -0.03 6.66 1.11 -1.26 -4.96 116.67 120.85 2nwa s ASP 42 Ca 0.61 0.27 0.05 0.00 0.18 0.00 0.00 52.55 53.66 2nwa s ASP 42 Cb -0.16 -1.83 -0.01 0.00 1.07 0.00 0.00 42.92 41.99 2nwa s ASP 42 CO 0.51 0.30 -0.17 0.68 1.18 0.00 0.00 175.17 177.68 2nwa s VAL 43 N -1.19 1.36 0.05 -1.27 -7.23 0.18 -1.30 120.40 111.01 2nwa s VAL 43 Ca 0.22 -0.70 -0.09 0.00 -1.81 0.00 0.00 61.98 59.60 2nwa s VAL 43 Cb -0.12 -1.16 0.00 0.00 0.56 0.00 0.00 36.38 35.66 2nwa s VAL 43 CO 0.13 0.39 0.20 0.00 -0.31 0.00 0.00 175.10 175.51 2nwa s ARG 44 N -0.12 0.72 0.11 4.82 1.70 0.12 0.00 118.95 126.30 2nwa s ARG 44 Ca 0.00 -0.68 -0.14 0.00 -0.47 0.00 0.00 55.73 54.44 2nwa s ARG 44 Cb -0.09 0.30 -0.09 0.00 -0.57 0.00 0.00 34.95 34.49 2nwa s ARG 44 CO 0.01 -0.21 1.40 -0.22 -1.08 0.00 0.00 175.30 175.19 2nwa h LYS 45 N 3.32 0.78 -5.98 3.89 1.63 -1.84 0.76 116.57 119.13 2nwa h LYS 45 Ca -0.32 -0.46 -0.53 0.00 -0.85 0.00 0.00 60.65 58.48 2nwa h LYS 45 Cb 1.19 0.04 -0.19 0.00 -0.60 0.00 0.00 32.23 32.68 2nwa h LYS 45 CO 0.50 1.09 -0.79 -0.08 -3.45 0.00 0.00 179.45 176.72 2nwa s THR 46 N -4.20 1.80 0.24 1.00 -1.32 -1.26 -3.72 115.64 108.17 2nwa s THR 46 Ca -0.12 -1.84 -0.04 0.00 -1.21 0.00 0.00 61.69 58.48 2nwa s THR 46 Cb 0.09 -1.78 0.21 0.00 -1.51 0.00 0.00 72.50 69.50 2nwa s THR 46 CO 0.86 -0.26 1.77 0.50 -2.21 0.00 0.00 174.62 175.28 2nwa h LYS 47 N 3.43 0.59 0.00 7.08 3.64 -1.95 -3.39 116.57 125.97 2nwa h LYS 47 Ca -0.43 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2nwa h LYS 47 Cb 1.20 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2nwa h LYS 47 CO 0.48 0.39 0.00 1.19 -2.27 0.00 0.00 179.45 179.25 2nwa n PHE 48 N -4.87 0.00 -1.41 1.91 3.72 -1.26 -5.12 117.46 110.43 2nwa n PHE 48 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 2nwa n PHE 48 Cb 0.34 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 2nwa n PHE 48 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2nwa n GLU 50 N -0.85 3.87 -3.92 -1.08 0.28 -1.26 -5.05 120.64 112.63 2nwa n GLU 50 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.64 2nwa n GLU 50 Cb 0.00 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.75 2nwa n GLU 50 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2nwa s LYS 51 N 3.34 3.76 0.05 3.44 2.20 -1.26 -4.62 119.74 126.65 2nwa s LYS 51 Ca 0.00 -0.44 0.22 0.00 -0.36 0.00 0.00 55.97 55.39 2nwa s LYS 51 Cb 0.00 -3.24 -0.22 0.00 -1.51 0.00 0.00 37.83 32.86 2nwa s LYS 51 CO 0.00 0.01 0.68 0.45 -0.36 0.00 0.00 175.35 176.13 2nwa n SER 52 N 4.33 0.31 0.00 1.43 2.88 0.10 -4.08 113.62 118.58 2nwa n SER 52 Ca -0.16 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2nwa n SER 52 Cb 0.52 1.45 0.00 0.00 -0.75 0.00 0.00 64.21 65.42 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 1.23 -1.66 3.32 0.46 0.00 -0.34 -2.20 105.19 106.00 2nwa n GLY 53 Ca -0.03 -1.21 -0.28 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.79 1.99 0.28 2.61 2.01 -0.07 0.49 115.64 120.16 2nwa s THR 54 Ca 0.00 -1.35 -0.06 0.00 0.31 0.00 0.00 61.69 60.59 2nwa s THR 54 Cb 0.00 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.79 2nwa s THR 54 CO 0.00 0.29 0.42 0.00 -0.69 0.00 0.00 174.62 174.64 2nwa s ALA 55 N -0.82 0.45 -0.12 7.40 0.00 -1.26 -0.49 121.76 126.92 2nwa s ALA 55 Ca 0.10 -1.30 -0.04 0.00 0.00 0.00 0.00 51.96 50.72 2nwa s ALA 55 Cb -0.10 1.16 0.06 0.00 0.00 0.00 0.00 23.12 24.25 2nwa s ALA 55 CO 0.02 -0.78 0.17 -1.21 0.00 0.00 0.00 175.76 173.96 2nwa s GLU 56 N -3.61 0.07 0.13 0.00 2.02 -0.52 -4.25 118.70 112.55 2nwa s GLU 56 Ca 0.29 0.41 -0.31 0.00 0.02 0.00 0.00 54.97 55.37 2nwa s GLU 56 Cb 0.01 -0.67 -0.10 0.00 0.10 0.00 0.00 34.13 33.47 2nwa s GLU 56 CO 0.15 -0.43 1.66 0.08 0.02 0.00 0.00 175.26 176.73 2nwa s VAL 57 N 2.29 2.66 -0.18 2.63 1.01 -1.26 -1.56 120.40 125.98 2nwa s VAL 57 Ca 0.04 0.34 0.17 0.00 0.00 0.00 0.00 61.98 62.53 2nwa s VAL 57 Cb -0.13 -3.22 -0.25 0.00 0.00 0.00 0.00 36.38 32.78 2nwa s VAL 57 CO -0.08 0.01 0.15 0.00 0.00 0.00 0.00 175.10 175.18 2nwa n GLN 58 N 4.75 0.68 -3.76 2.72 1.13 0.91 -2.48 117.38 121.34 2nwa n GLN 58 Ca 0.15 0.03 -0.13 0.00 -1.94 0.00 0.00 57.00 55.11 2nwa n GLN 58 Cb 0.39 -1.56 -0.08 0.00 0.11 0.00 0.00 30.24 29.09 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 -2.50 0.68 -0.07 -1.09 2.20 -0.96 -4.96 119.74 113.02 2nwa s LYS 59 Ca -0.10 -0.22 -0.04 0.00 -0.36 0.00 0.00 55.97 55.26 2nwa s LYS 59 Cb 0.06 0.30 0.04 0.00 -1.51 0.00 0.00 37.83 36.72 2nwa s LYS 59 CO 0.83 -0.19 0.17 -1.17 -0.36 0.00 0.00 175.35 174.63 2nwa s LEU 60 N -1.39 0.70 0.06 5.43 0.20 -1.26 -1.23 118.68 121.19 2nwa s LEU 60 Ca -0.13 0.35 0.03 0.00 0.69 0.00 0.00 54.13 55.07 2nwa s LEU 60 Cb -0.05 0.46 -0.03 0.00 -0.43 0.00 0.00 46.19 46.15 2nwa s LEU 60 CO 0.04 -0.15 -0.08 0.00 -0.29 0.00 0.00 176.35 175.87 2nwa s GLN 61 N 1.11 0.66 -0.03 1.98 -2.07 -0.99 -5.03 119.66 115.29 2nwa s GLN 61 Ca -0.08 -0.95 0.07 0.00 -1.82 0.00 0.00 55.36 52.58 2nwa s GLN 61 Cb -0.10 -0.35 -0.02 0.00 -1.09 0.00 0.00 33.01 31.44 2nwa s GLN 61 CO -0.06 0.05 -0.25 -1.58 -1.32 0.00 0.00 175.29 172.14 2nwa s TRP 62 N -1.97 2.39 -0.29 9.60 0.51 -1.26 -1.91 118.94 126.01 2nwa s TRP 62 Ca -0.03 -0.44 -0.17 0.00 -2.12 0.00 0.00 56.10 53.34 2nwa s TRP 62 Cb -0.06 -1.53 0.15 0.00 -0.81 0.00 0.00 33.47 31.23 2nwa s TRP 62 CO -0.01 -0.04 1.02 -2.00 -0.51 0.00 0.00 176.95 175.42 2nwa s GLU 63 N -0.57 0.34 -0.94 4.98 2.12 -0.59 -5.02 118.70 119.03 2nwa s GLU 63 Ca 0.08 0.57 -0.10 0.00 0.36 0.00 0.00 54.97 55.89 2nwa s GLU 63 Cb -0.11 0.08 0.01 0.00 0.26 0.00 0.00 34.13 34.37 2nwa s GLU 63 CO -0.00 -0.07 0.66 0.39 -0.54 0.00 0.00 175.26 175.70 2nwa n GLU 64 N 3.46 -1.22 -0.40 4.30 1.02 -1.26 -1.54 120.64 125.00 2nwa n GLU 64 Ca -0.18 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 2nwa n GLU 64 Cb 0.57 -3.15 0.00 0.00 -0.02 0.00 0.00 31.44 28.84 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 -1.76 0.00 3.55 0.62 0.00 -1.26 -4.90 105.19 101.44 2nwa n GLY 65 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.80 1.86 -0.05 1.61 0.52 -0.59 -0.43 118.95 121.07 2nwa s ARG 66 Ca 0.00 -1.86 0.02 0.00 -0.52 0.00 0.00 55.73 53.37 2nwa s ARG 66 Cb 0.00 -1.77 0.02 0.00 0.52 0.00 0.00 34.95 33.71 2nwa s ARG 66 CO 0.00 0.18 -0.07 -0.08 0.02 0.00 0.00 175.30 175.34 2nwa s THR 67 N -2.57 0.74 -0.16 0.02 -1.32 -0.53 -1.55 115.64 110.28 2nwa s THR 67 Ca 0.33 -0.25 0.02 0.00 -1.21 0.00 0.00 61.69 60.57 2nwa s THR 67 Cb 0.00 -0.72 0.02 0.00 -1.51 0.00 0.00 72.50 70.29 2nwa s THR 67 CO 0.17 0.27 -0.20 -0.51 -2.21 0.00 0.00 174.62 172.14 2nwa s ILE 68 N 0.77 1.97 0.15 5.08 2.07 -0.80 0.12 121.20 130.56 2nwa s ILE 68 Ca -0.12 -0.90 0.05 0.00 -1.41 0.00 0.00 60.65 58.27 2nwa s ILE 68 Cb -0.15 -1.77 -0.04 0.00 0.13 0.00 0.00 42.46 40.64 2nwa s ILE 68 CO 0.01 0.53 0.10 0.27 -1.91 0.00 0.00 174.94 173.94 2nwa s ILE 69 N 1.11 4.34 -0.24 2.00 -4.36 0.99 -2.36 121.20 122.68 2nwa s ILE 69 Ca -0.00 -1.09 0.02 0.00 -0.26 0.00 0.00 60.65 59.32 2nwa s ILE 69 Cb -0.14 -3.18 0.05 0.00 1.25 0.00 0.00 42.46 40.44 2nwa s ILE 69 CO -0.08 -0.06 -0.11 -0.89 0.24 0.00 0.00 174.94 174.04 2nwa s THR 70 N -1.67 1.97 0.24 8.37 2.01 -0.36 -0.45 115.64 125.75 2nwa s THR 70 Ca 0.30 -1.40 0.11 0.00 0.31 0.00 0.00 61.69 61.01 2nwa s THR 70 Cb -0.10 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.29 2nwa s THR 70 CO 0.22 0.05 -0.18 -0.72 -0.69 0.00 0.00 174.62 173.30 2nwa s TYR 71 N 1.22 2.37 -0.28 4.92 -0.85 -0.14 -0.06 117.35 124.52 2nwa s TYR 71 Ca -0.06 -0.32 -0.08 0.00 -0.52 0.00 0.00 57.07 56.09 2nwa s TYR 71 Cb -0.19 -1.08 -0.02 0.00 0.38 0.00 0.00 41.96 41.05 2nwa s TYR 71 CO -0.07 0.62 0.11 0.21 -1.52 0.00 0.00 175.55 174.91 2nwa s LYS 72 N -3.21 3.47 -0.21 -3.49 2.20 -0.60 0.75 119.74 118.64 2nwa s LYS 72 Ca 0.27 -0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 54.97 2nwa s LYS 72 Cb -0.06 -3.44 -0.00 0.00 -1.51 0.00 0.00 37.83 32.81 2nwa s LYS 72 CO 0.14 -0.31 1.20 -1.17 -0.36 0.00 0.00 175.35 174.84 2nwa s LEU 73 N 1.61 4.10 0.00 5.43 2.96 0.88 -1.43 118.68 132.22 2nwa s LEU 73 Ca 0.05 1.50 0.23 0.00 -0.22 0.00 0.00 54.13 55.68 2nwa s LEU 73 Cb -0.16 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.00 2nwa s LEU 73 CO 0.05 -0.79 1.09 0.35 -1.32 0.00 0.00 176.35 175.73 2nwa n THR 74 N 5.51 0.00 -3.65 3.68 -2.24 0.36 -4.89 114.28 113.05 2nwa n THR 74 Ca 0.13 -0.19 -0.02 0.00 -2.27 0.00 0.00 64.05 61.71 2nwa n THR 74 Cb 0.46 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 69.77 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 -2.61 -0.01 0.03 3.42 1.04 -1.14 -4.94 113.70 109.50 2nwa s SER 75 Ca 0.16 0.00 0.04 0.00 0.48 0.00 0.00 55.95 56.64 2nwa s SER 75 Cb 0.18 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 2nwa s SER 75 CO 0.64 -0.01 -0.07 -0.76 0.98 0.00 0.00 173.24 174.02 2nwa s LEU 76 N -1.56 3.18 0.00 2.42 1.02 -1.26 -0.89 118.68 121.59 2nwa s LEU 76 Ca 0.11 -0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.06 2nwa s LEU 76 Cb -0.01 -1.87 0.00 0.00 0.02 0.00 0.00 46.19 44.33 2nwa s LEU 76 CO -0.05 0.25 0.00 1.57 0.02 0.00 0.00 176.35 178.14 2nwa n HIS 77 N 1.27 0.00 -1.42 0.29 -0.00 -0.93 -4.74 115.22 109.68 2nwa n HIS 77 Ca -0.14 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.64 2nwa n HIS 77 Cb 0.52 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.37 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 7.62 -4.55 0.26 7.64 -1.26 -4.91 113.62 118.41 2nwa n SER 78 Ca 0.00 -2.65 -0.37 0.00 1.01 0.00 0.00 58.87 56.87 2nwa n SER 78 Cb 0.00 -1.58 -0.03 0.00 -1.01 0.00 0.00 64.21 61.59 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 2.34 3.37 0.61 0.44 0.11 -1.26 -4.94 120.40 121.07 2nwa s VAL 79 Ca 0.64 0.12 -0.19 0.00 -2.93 0.00 0.00 61.98 59.62 2nwa s VAL 79 Cb 0.17 -3.97 -0.03 0.00 -1.53 0.00 0.00 36.38 31.02 2nwa s VAL 79 CO -0.07 -0.93 1.19 -3.20 -3.33 0.00 0.00 175.10 168.76 2nwa n ASN 80 N 12.88 1.76 0.00 3.54 5.15 -1.26 -5.22 115.26 132.10 2nwa n ASN 80 Ca 0.23 0.85 0.00 0.00 -0.60 0.00 0.00 54.58 55.06 2nwa n ASN 80 Cb 0.51 -1.50 0.00 0.00 -0.53 0.00 0.00 39.78 38.26 2nwa n ASN 80 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55