#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 0.06 1.61 0.04 -1.26 -5.29 135.00 130.57 2nwa s PRO 4 Ca 0.00 0.54 -0.03 0.00 0.04 0.00 0.00 61.00 61.55 2nwa s PRO 4 Cb 0.00 0.18 -0.03 0.00 0.04 0.00 0.00 34.50 34.69 2nwa s PRO 4 CO 0.00 -0.06 0.02 0.14 0.04 0.00 0.00 177.00 177.15 2nwa s VAL 5 N 0.43 0.19 -0.09 -0.36 -7.23 -1.26 -4.57 120.40 107.52 2nwa s VAL 5 Ca 0.01 -1.60 0.04 0.00 -1.81 0.00 0.00 61.98 58.62 2nwa s VAL 5 Cb -0.05 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.51 2nwa s VAL 5 CO -0.09 -0.88 -0.22 -0.70 -0.31 0.00 0.00 175.10 172.90 2nwa s GLU 6 N -3.72 2.70 -0.20 4.82 2.12 -0.44 -4.99 118.70 119.00 2nwa s GLU 6 Ca 0.05 -0.79 -0.16 0.00 0.36 0.00 0.00 54.97 54.43 2nwa s GLU 6 Cb 0.06 -2.10 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 2nwa s GLU 6 CO -0.09 0.18 0.39 -0.06 -0.54 0.00 0.00 175.26 175.13 2nwa s PHE 7 N 0.33 3.39 -0.05 5.30 0.08 -1.26 0.30 117.98 126.06 2nwa s PHE 7 Ca -0.16 0.62 0.04 0.00 0.12 0.00 0.00 56.93 57.55 2nwa s PHE 7 Cb -0.17 -2.51 -0.02 0.00 -0.57 0.00 0.00 43.02 39.75 2nwa s PHE 7 CO 0.07 0.02 -0.18 -0.80 -0.10 0.00 0.00 175.22 174.24 2nwa s ASN 8 N 0.98 3.74 0.00 1.36 0.02 -0.59 -4.94 114.94 115.50 2nwa s ASN 8 Ca 0.19 -0.30 0.11 0.00 -1.02 0.00 0.00 52.86 51.84 2nwa s ASN 8 Cb -0.15 -0.83 -0.02 0.00 0.02 0.00 0.00 41.25 40.27 2nwa s ASN 8 CO 0.08 0.31 0.62 0.35 0.02 0.00 0.00 177.10 178.48 2nwa n THR 9 N 2.54 0.00 -3.98 1.60 -2.24 -1.26 -4.31 114.28 106.63 2nwa n THR 9 Ca -0.17 -0.37 -0.09 0.00 -2.27 0.00 0.00 64.05 61.15 2nwa n THR 9 Cb 0.52 1.11 -0.11 0.00 -2.10 0.00 0.00 70.33 69.75 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 -1.78 2.24 -0.34 3.22 1.02 -1.26 -4.54 118.68 117.24 2nwa s LEU 10 Ca 0.08 -0.49 -0.18 0.00 0.02 0.00 0.00 54.13 53.56 2nwa s LEU 10 Cb 0.08 0.09 -0.01 0.00 0.02 0.00 0.00 46.19 46.38 2nwa s LEU 10 CO 0.29 -0.29 0.49 -0.63 0.02 0.00 0.00 176.35 176.22 2nwa s ILE 11 N -1.43 5.05 -0.37 -0.59 -1.09 -0.28 -5.02 121.20 117.47 2nwa s ILE 11 Ca -0.16 0.36 -0.03 0.00 -2.23 0.00 0.00 60.65 58.60 2nwa s ILE 11 Cb -0.10 -3.92 0.09 0.00 -1.58 0.00 0.00 42.46 36.95 2nwa s ILE 11 CO -0.01 -0.16 0.14 -0.69 -1.23 0.00 0.00 174.94 172.99 2nwa s VAL 12 N 2.33 3.21 -0.45 2.92 1.01 -1.26 -0.36 120.40 127.79 2nwa s VAL 12 Ca 0.18 -1.81 -0.19 0.00 0.00 0.00 0.00 61.98 60.16 2nwa s VAL 12 Cb -0.16 -3.08 0.04 0.00 0.00 0.00 0.00 36.38 33.18 2nwa s VAL 12 CO 0.13 -0.49 0.55 0.42 0.00 0.00 0.00 175.10 175.70 2nwa s THR 13 N 1.18 4.96 0.00 3.92 -4.23 0.36 -4.92 115.64 116.92 2nwa s THR 13 Ca 0.04 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 2nwa s THR 13 Cb -0.22 -4.17 0.00 0.00 1.34 0.00 0.00 72.50 69.46 2nwa s THR 13 CO -0.03 -0.59 1.00 0.29 -0.54 0.00 0.00 174.62 174.75 2nwa n LYS 14 N 5.93 0.58 -1.07 3.99 4.76 -1.24 -4.19 118.16 126.92 2nwa n LYS 14 Ca -0.06 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.36 2nwa n LYS 14 Cb 0.47 -1.21 -0.01 0.00 -1.84 0.00 0.00 35.03 32.44 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 1.44 0.45 1.49 0.72 0.00 -1.26 -4.85 105.19 103.18 2nwa n GLY 15 Ca 0.00 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.39 3.78 -2.70 1.61 2.85 -1.26 -4.98 118.16 116.06 2nwa n LYS 16 Ca -0.02 -2.87 -0.32 0.00 -1.05 0.00 0.00 58.31 54.05 2nwa n LYS 16 Cb 0.27 -1.90 -0.05 0.00 -0.65 0.00 0.00 35.03 32.70 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 -2.05 3.98 -0.06 -1.58 1.03 -1.26 -4.72 118.70 114.05 2nwa s GLU 17 Ca 0.49 0.85 0.03 0.00 0.03 0.00 0.00 54.97 56.36 2nwa s GLU 17 Cb 0.33 -2.24 0.01 0.00 -0.80 0.00 0.00 34.13 31.42 2nwa s GLU 17 CO 0.21 -0.10 -0.14 0.08 -1.33 0.00 0.00 175.26 173.97 2nwa s VAL 18 N -2.38 1.28 -0.13 1.83 1.01 -0.16 -4.93 120.40 116.92 2nwa s VAL 18 Ca 0.57 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 2nwa s VAL 18 Cb -0.10 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2nwa s VAL 18 CO 0.25 0.38 0.54 0.00 0.00 0.00 0.00 175.10 176.28 2nwa s ARG 19 N 0.47 4.33 -0.01 2.72 1.70 -1.26 0.54 118.95 127.43 2nwa s ARG 19 Ca -0.12 0.55 0.18 0.00 -0.47 0.00 0.00 55.73 55.87 2nwa s ARG 19 Cb -0.15 -3.47 -0.22 0.00 -0.57 0.00 0.00 34.95 30.54 2nwa s ARG 19 CO 0.04 0.06 0.68 0.44 -1.08 0.00 0.00 175.30 175.43 2nwa n ILE 20 N 3.91 0.00 -1.24 4.99 -5.35 -1.02 -4.98 119.36 115.67 2nwa n ILE 20 Ca -0.05 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 2nwa n ILE 20 Cb 0.51 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 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 -1.63 0.31 -0.07 7.28 -0.08 -1.20 -5.05 116.55 116.11 2nwa n ASP 21 Ca 0.02 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.10 2nwa n ASP 21 Cb 0.34 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.68 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 -3.42 114.58 112.62 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 -4.39 1.12 -4.65 3.06 5.03 -1.26 -5.01 115.26 109.17 2nwa n ASN 23 Ca -0.24 -1.07 -0.35 0.00 0.87 0.00 0.00 54.58 53.79 2nwa n ASN 23 Cb 0.66 -0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 39.32 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 -0.12 4.53 0.46 2.41 -4.36 -1.26 0.24 121.20 123.10 2nwa s ILE 24 Ca 0.01 -0.14 0.04 0.00 -0.26 0.00 0.00 60.65 60.30 2nwa s ILE 24 Cb 0.01 -2.98 -0.04 0.00 1.25 0.00 0.00 42.46 40.69 2nwa s ILE 24 CO 0.01 0.53 0.01 -0.36 0.24 0.00 0.00 174.94 175.38 2nwa s PHE 25 N -0.16 2.12 -0.02 1.37 0.08 0.14 -2.44 117.98 119.07 2nwa s PHE 25 Ca 0.06 -0.86 0.01 0.00 0.12 0.00 0.00 56.93 56.26 2nwa s PHE 25 Cb -0.12 -1.64 0.01 0.00 -0.57 0.00 0.00 43.02 40.70 2nwa s PHE 25 CO 0.02 0.28 -0.05 0.95 -0.10 0.00 0.00 175.22 176.31 2nwa s THR 26 N -2.85 0.45 -0.06 0.64 -4.23 0.19 -1.32 115.64 108.46 2nwa s THR 26 Ca 0.19 -0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.54 2nwa s THR 26 Cb 0.05 -0.42 0.02 0.00 1.34 0.00 0.00 72.50 73.49 2nwa s THR 26 CO 0.10 0.15 -0.08 -0.22 -0.54 0.00 0.00 174.62 174.03 2nwa s LEU 27 N 0.24 1.45 -0.22 4.79 0.20 0.08 -0.99 118.68 124.23 2nwa s LEU 27 Ca -0.03 -0.22 -0.08 0.00 0.69 0.00 0.00 54.13 54.49 2nwa s LEU 27 Cb -0.07 -0.65 -0.04 0.00 -0.43 0.00 0.00 46.19 45.00 2nwa s LEU 27 CO -0.00 -0.02 0.09 -0.70 -0.29 0.00 0.00 176.35 175.42 2nwa s GLU 28 N 0.88 3.87 0.26 1.98 2.12 -1.26 -0.01 118.70 126.54 2nwa s GLU 28 Ca -0.11 -0.38 0.11 0.00 0.36 0.00 0.00 54.97 54.94 2nwa s GLU 28 Cb -0.15 -3.33 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 2nwa s GLU 28 CO 0.01 0.05 -0.11 0.15 -0.54 0.00 0.00 175.26 174.81 2nwa s LYS 29 N 1.01 1.96 0.04 4.30 -0.14 0.29 -4.98 119.74 122.22 2nwa s LYS 29 Ca 0.05 -1.56 -0.19 0.00 -1.36 0.00 0.00 55.97 52.90 2nwa s LYS 29 Cb -0.14 -1.97 -0.06 0.00 -1.68 0.00 0.00 37.83 33.98 2nwa s LYS 29 CO 0.03 0.36 0.56 0.34 -0.76 0.00 0.00 175.35 175.89 2nwa s ASP 30 N -3.46 7.01 0.00 2.83 -1.08 -1.26 -0.90 116.67 119.82 2nwa s ASP 30 Ca 0.29 1.20 0.00 0.00 -0.52 0.00 0.00 52.55 53.52 2nwa s ASP 30 Cb -0.06 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 2nwa s ASP 30 CO 0.17 0.22 0.00 0.61 0.52 0.00 0.00 175.17 176.68 2nwa n GLY 31 N 2.00 -0.72 3.55 2.66 0.00 0.37 -4.79 105.19 108.27 2nwa n GLY 31 Ca -0.09 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.82 2.64 0.11 1.61 2.02 -1.25 -2.64 117.35 117.03 2nwa s TYR 32 Ca 0.00 0.15 -0.02 0.00 -0.37 0.00 0.00 57.07 56.83 2nwa s TYR 32 Cb 0.00 -4.35 -0.05 0.00 -0.40 0.00 0.00 41.96 37.16 2nwa s TYR 32 CO 0.00 -1.56 0.30 1.03 -1.57 0.00 0.00 175.55 173.75 2nwa s ARG 33 N 4.62 3.52 -0.22 -0.62 3.00 -1.26 -1.33 118.95 126.66 2nwa s ARG 33 Ca 0.36 -0.29 -0.04 0.00 0.00 0.00 0.00 55.73 55.77 2nwa s ARG 33 Cb -0.10 -2.94 -0.00 0.00 0.00 0.00 0.00 34.95 31.91 2nwa s ARG 33 CO 0.21 0.53 -0.05 0.08 0.00 0.00 0.00 175.30 176.07 2nwa s VAL 34 N -1.61 3.29 0.04 3.52 1.01 0.15 -4.88 120.40 121.91 2nwa s VAL 34 Ca 0.38 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.90 2nwa s VAL 34 Cb -0.12 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 2nwa s VAL 34 CO 0.27 0.42 -0.23 -0.31 0.00 0.00 0.00 175.10 175.24 2nwa s TYR 35 N 1.46 2.42 0.00 5.22 2.02 -1.26 -1.55 117.35 125.67 2nwa s TYR 35 Ca 0.05 -0.35 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 2nwa s TYR 35 Cb -0.14 -1.43 0.00 0.00 -0.40 0.00 0.00 41.96 39.99 2nwa s TYR 35 CO -0.04 0.17 0.00 -2.30 -1.57 0.00 0.00 175.55 171.82 2nwa n PRO 36 N 1.72 -0.05 0.00 -1.71 -0.02 -1.26 -5.06 135.00 128.62 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 -0.71 0.00 -3.56 -0.52 4.07 -1.04 -4.49 120.64 114.39 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 5.27 0.76 6.31 1.01 -1.26 -4.92 121.20 128.37 2nwa s ILE 39 Ca 0.00 0.58 -0.11 0.00 0.00 0.00 0.00 60.65 61.12 2nwa s ILE 39 Cb 0.00 -3.63 0.05 0.00 0.01 0.00 0.00 42.46 38.89 2nwa s ILE 39 CO 0.00 0.45 1.09 -2.16 0.00 0.00 0.00 174.94 174.31 2nwa s PRO 40 N 0.02 2.34 -0.03 2.79 0.04 -1.26 -4.45 135.00 134.46 2nwa s PRO 40 Ca 0.18 1.10 -0.03 0.00 0.04 0.00 0.00 61.00 62.30 2nwa s PRO 40 Cb -0.14 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2nwa s PRO 40 CO 0.06 -1.57 0.14 -0.51 0.04 0.00 0.00 177.00 175.16 2nwa s ASP 42 N -3.48 6.13 -0.04 6.66 1.11 -1.26 -4.97 116.67 120.82 2nwa s ASP 42 Ca 0.61 0.30 0.04 0.00 0.18 0.00 0.00 52.55 53.67 2nwa s ASP 42 Cb -0.17 -1.88 -0.00 0.00 1.07 0.00 0.00 42.92 41.94 2nwa s ASP 42 CO 0.56 0.29 -0.15 0.68 1.18 0.00 0.00 175.17 177.73 2nwa s VAL 43 N -1.23 1.27 0.06 -1.27 -7.23 -0.35 -1.12 120.40 110.53 2nwa s VAL 43 Ca 0.24 -0.63 -0.07 0.00 -1.81 0.00 0.00 61.98 59.70 2nwa s VAL 43 Cb -0.12 -1.09 -0.01 0.00 0.56 0.00 0.00 36.38 35.72 2nwa s VAL 43 CO 0.15 0.37 0.14 0.00 -0.31 0.00 0.00 175.10 175.45 2nwa s ARG 44 N 0.05 0.71 0.13 4.82 1.70 0.51 -0.36 118.95 126.52 2nwa s ARG 44 Ca -0.03 -0.86 -0.11 0.00 -0.47 0.00 0.00 55.73 54.27 2nwa s ARG 44 Cb -0.10 0.28 -0.08 0.00 -0.57 0.00 0.00 34.95 34.48 2nwa s ARG 44 CO 0.02 -0.20 1.39 -0.22 -1.08 0.00 0.00 175.30 175.21 2nwa h LYS 45 N 3.20 0.82 -4.91 3.89 1.63 -1.80 0.10 116.57 119.50 2nwa h LYS 45 Ca -0.33 -0.56 -0.35 0.00 -0.85 0.00 0.00 60.65 58.56 2nwa h LYS 45 Cb 1.19 0.08 -0.14 0.00 -0.60 0.00 0.00 32.23 32.75 2nwa h LYS 45 CO 0.54 1.18 -0.62 0.95 -3.45 0.00 0.00 179.45 178.05 2nwa s THR 46 N -4.01 0.65 -0.42 1.00 -4.23 -1.26 -3.68 115.64 103.69 2nwa s THR 46 Ca -0.10 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.67 2nwa s THR 46 Cb 0.10 -2.55 0.30 0.00 1.34 0.00 0.00 72.50 71.69 2nwa s THR 46 CO 0.89 -0.09 1.77 0.11 -0.54 0.00 0.00 174.62 176.76 2nwa h LYS 47 N 2.42 0.00 0.00 3.99 1.57 -1.97 -3.43 116.57 119.14 2nwa h LYS 47 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2nwa h LYS 47 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2nwa h LYS 47 CO 0.62 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.69 2nwa n PHE 48 N -2.56 0.00 -4.11 -1.35 3.72 -1.26 -5.18 117.46 106.72 2nwa n PHE 48 Ca 0.03 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.13 2nwa n PHE 48 Cb 0.35 -0.28 -0.07 0.00 -0.94 0.00 0.00 39.48 38.54 2nwa n PHE 48 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2nwa s GLU 50 N -1.76 2.71 0.16 -1.08 2.12 -1.26 -5.00 118.70 114.57 2nwa s GLU 50 Ca 0.00 -0.76 -0.32 0.00 0.36 0.00 0.00 54.97 54.25 2nwa s GLU 50 Cb 0.00 -2.63 -0.12 0.00 0.26 0.00 0.00 34.13 31.64 2nwa s GLU 50 CO 0.00 0.56 1.74 1.17 -0.54 0.00 0.00 175.26 178.19 2nwa n LYS 51 N 0.60 2.63 -0.01 4.30 4.81 -1.26 -4.56 118.16 124.68 2nwa n LYS 51 Ca -0.10 0.95 0.11 0.00 -0.87 0.00 0.00 58.31 58.40 2nwa n LYS 51 Cb 0.52 -2.80 -0.16 0.00 0.02 0.00 0.00 35.03 32.61 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 4.53 0.14 0.00 3.14 2.88 0.52 -4.17 113.62 120.66 2nwa n SER 52 Ca 0.17 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2nwa n SER 52 Cb 0.34 1.84 0.00 0.00 -0.75 0.00 0.00 64.21 65.64 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 1.29 -1.47 3.33 0.46 0.00 -1.01 -2.24 105.19 105.54 2nwa n GLY 53 Ca -0.03 -1.22 -0.27 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 -2.94 1.98 0.27 2.61 2.01 0.11 -1.22 115.64 118.47 2nwa s THR 54 Ca 0.00 -1.57 -0.13 0.00 0.31 0.00 0.00 61.69 60.30 2nwa s THR 54 Cb 0.00 -1.75 0.00 0.00 0.01 0.00 0.00 72.50 70.76 2nwa s THR 54 CO 0.00 0.09 0.54 0.00 -0.69 0.00 0.00 174.62 174.56 2nwa s ALA 55 N -1.03 -0.33 -0.05 7.40 0.00 -1.26 -0.82 121.76 125.67 2nwa s ALA 55 Ca 0.10 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 2nwa s ALA 55 Cb -0.10 1.01 0.04 0.00 0.00 0.00 0.00 23.12 24.07 2nwa s ALA 55 CO 0.04 -0.89 0.09 -1.21 0.00 0.00 0.00 175.76 173.80 2nwa s GLU 56 N -3.76 -0.02 0.06 0.00 2.02 -0.74 -4.25 118.70 112.01 2nwa s GLU 56 Ca 0.21 0.39 -0.31 0.00 0.02 0.00 0.00 54.97 55.29 2nwa s GLU 56 Cb -0.02 -0.36 -0.07 0.00 0.10 0.00 0.00 34.13 33.78 2nwa s GLU 56 CO 0.10 -0.27 1.45 0.08 0.02 0.00 0.00 175.26 176.64 2nwa s VAL 57 N 1.88 3.41 -0.18 2.63 1.01 -1.26 -0.81 120.40 127.08 2nwa s VAL 57 Ca 0.00 0.90 0.12 0.00 0.00 0.00 0.00 61.98 63.01 2nwa s VAL 57 Cb -0.12 -3.58 -0.23 0.00 0.00 0.00 0.00 36.38 32.45 2nwa s VAL 57 CO -0.04 0.03 0.13 0.00 0.00 0.00 0.00 175.10 175.21 2nwa n GLN 58 N 4.88 0.68 -3.81 2.72 1.13 0.10 -2.50 117.38 120.58 2nwa n GLN 58 Ca 0.13 0.09 -0.12 0.00 -1.94 0.00 0.00 57.00 55.16 2nwa n GLN 58 Cb 0.42 -1.58 -0.10 0.00 0.11 0.00 0.00 30.24 29.10 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 0.53 -0.02 -1.09 2.20 -0.92 -4.96 119.74 112.95 2nwa s LYS 59 Ca -0.15 -0.18 -0.00 0.00 -0.36 0.00 0.00 55.97 55.28 2nwa s LYS 59 Cb 0.07 0.23 0.03 0.00 -1.51 0.00 0.00 37.83 36.65 2nwa s LYS 59 CO 0.78 -0.13 0.04 -1.17 -0.36 0.00 0.00 175.35 174.51 2nwa s LEU 60 N -1.09 1.05 0.05 5.43 0.20 -1.26 -0.90 118.68 122.15 2nwa s LEU 60 Ca -0.12 0.07 0.03 0.00 0.69 0.00 0.00 54.13 54.80 2nwa s LEU 60 Cb -0.06 -0.02 -0.03 0.00 -0.43 0.00 0.00 46.19 45.65 2nwa s LEU 60 CO 0.03 -0.13 -0.10 0.00 -0.29 0.00 0.00 176.35 175.86 2nwa s GLN 61 N 1.07 0.62 -0.04 1.98 -2.07 -0.95 -5.02 119.66 115.27 2nwa s GLN 61 Ca -0.09 -0.83 0.05 0.00 -1.82 0.00 0.00 55.36 52.68 2nwa s GLN 61 Cb -0.13 -0.46 -0.02 0.00 -1.09 0.00 0.00 33.01 31.31 2nwa s GLN 61 CO -0.03 0.09 -0.18 -1.58 -1.32 0.00 0.00 175.29 172.27 2nwa s TRP 62 N -1.36 2.57 -0.29 9.60 0.51 -1.26 -1.75 118.94 126.95 2nwa s TRP 62 Ca -0.07 -0.26 -0.16 0.00 -2.12 0.00 0.00 56.10 53.49 2nwa s TRP 62 Cb -0.10 -1.59 0.16 0.00 -0.81 0.00 0.00 33.47 31.14 2nwa s TRP 62 CO 0.01 0.10 1.03 -2.00 -0.51 0.00 0.00 176.95 175.58 2nwa s GLU 63 N -0.68 0.30 -0.88 4.98 2.12 -0.55 -5.02 118.70 118.97 2nwa s GLU 63 Ca 0.11 0.59 -0.06 0.00 0.36 0.00 0.00 54.97 55.97 2nwa s GLU 63 Cb -0.10 0.18 -0.00 0.00 0.26 0.00 0.00 34.13 34.46 2nwa s GLU 63 CO 0.00 -0.07 0.69 0.39 -0.54 0.00 0.00 175.26 175.72 2nwa n GLU 64 N 4.07 -1.37 -0.41 4.30 1.02 -1.26 -1.78 120.64 125.21 2nwa n GLU 64 Ca -0.15 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 2nwa n GLU 64 Cb 0.56 -3.99 0.00 0.00 -0.02 0.00 0.00 31.44 27.99 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 -1.70 0.00 3.51 0.62 0.00 -1.26 -4.89 105.19 101.46 2nwa n GLY 65 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.81 1.74 -0.04 1.61 0.52 -0.73 0.14 118.95 121.38 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 -1.67 0.01 0.00 0.52 0.00 0.00 34.95 33.81 2nwa s ARG 66 CO 0.00 0.20 -0.09 -0.08 0.02 0.00 0.00 175.30 175.35 2nwa s THR 67 N -2.61 0.81 -0.12 0.02 -1.32 -0.07 -1.49 115.64 110.85 2nwa s THR 67 Ca 0.31 -0.34 0.01 0.00 -1.21 0.00 0.00 61.69 60.46 2nwa s THR 67 Cb -0.00 -0.74 0.02 0.00 -1.51 0.00 0.00 72.50 70.27 2nwa s THR 67 CO 0.15 0.26 -0.13 -0.51 -2.21 0.00 0.00 174.62 172.19 2nwa s ILE 68 N 0.39 1.38 0.14 5.08 2.07 -0.72 0.11 121.20 129.65 2nwa s ILE 68 Ca -0.07 -0.54 0.06 0.00 -1.41 0.00 0.00 60.65 58.69 2nwa s ILE 68 Cb -0.11 -1.30 -0.04 0.00 0.13 0.00 0.00 42.46 41.14 2nwa s ILE 68 CO 0.01 0.42 0.04 0.27 -1.91 0.00 0.00 174.94 173.78 2nwa s ILE 69 N 1.30 4.09 -0.22 2.00 -4.36 0.98 -2.23 121.20 122.75 2nwa s ILE 69 Ca -0.01 -1.15 0.02 0.00 -0.26 0.00 0.00 60.65 59.25 2nwa s ILE 69 Cb -0.14 -3.03 0.05 0.00 1.25 0.00 0.00 42.46 40.60 2nwa s ILE 69 CO -0.06 -0.02 -0.10 -0.89 0.24 0.00 0.00 174.94 174.11 2nwa s THR 70 N -1.58 1.82 0.18 8.37 2.01 -0.08 -0.74 115.64 125.61 2nwa s THR 70 Ca 0.28 -1.25 0.11 0.00 0.31 0.00 0.00 61.69 61.14 2nwa s THR 70 Cb -0.10 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 2nwa s THR 70 CO 0.20 0.07 -0.24 -0.72 -0.69 0.00 0.00 174.62 173.24 2nwa s TYR 71 N 1.29 2.30 -0.33 4.92 -0.85 -0.43 0.02 117.35 124.27 2nwa s TYR 71 Ca -0.04 -0.36 -0.11 0.00 -0.52 0.00 0.00 57.07 56.04 2nwa s TYR 71 Cb -0.18 -1.15 -0.00 0.00 0.38 0.00 0.00 41.96 41.01 2nwa s TYR 71 CO -0.07 0.48 0.18 0.21 -1.52 0.00 0.00 175.55 174.83 2nwa s LYS 72 N -2.59 3.26 -0.25 -3.49 2.20 0.01 0.24 119.74 119.12 2nwa s LYS 72 Ca 0.20 -0.78 -0.29 0.00 -0.36 0.00 0.00 55.97 54.73 2nwa s LYS 72 Cb -0.08 -3.65 -0.01 0.00 -1.51 0.00 0.00 37.83 32.57 2nwa s LYS 72 CO 0.09 -0.48 1.47 -1.17 -0.36 0.00 0.00 175.35 174.89 2nwa s LEU 73 N 1.62 3.91 0.00 5.43 2.96 0.14 -1.79 118.68 130.95 2nwa s LEU 73 Ca 0.04 1.45 0.23 0.00 -0.22 0.00 0.00 54.13 55.64 2nwa s LEU 73 Cb -0.18 -3.54 0.13 0.00 0.50 0.00 0.00 46.19 43.11 2nwa s LEU 73 CO 0.07 -1.16 1.16 0.35 -1.32 0.00 0.00 176.35 175.45 2nwa n THR 74 N 6.27 0.00 -3.62 3.68 -2.24 0.00 -4.89 114.28 113.47 2nwa n THR 74 Ca 0.17 -0.04 -0.04 0.00 -2.27 0.00 0.00 64.05 61.87 2nwa n THR 74 Cb 0.46 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.36 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 -2.91 -0.11 0.00 3.42 1.04 -1.13 -4.94 113.70 109.08 2nwa s SER 75 Ca 0.11 0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.64 2nwa s SER 75 Cb 0.17 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.35 2nwa s SER 75 CO 0.75 -0.13 -0.03 -0.76 0.98 0.00 0.00 173.24 174.06 2nwa s LEU 76 N -1.47 3.36 0.00 2.42 1.02 -1.26 -0.71 118.68 122.04 2nwa s LEU 76 Ca 0.08 -0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.16 2nwa s LEU 76 Cb -0.01 -1.93 0.00 0.00 0.02 0.00 0.00 46.19 44.27 2nwa s LEU 76 CO -0.05 0.28 0.00 1.57 0.02 0.00 0.00 176.35 178.17 2nwa n HIS 77 N 1.46 0.00 -1.71 0.29 -0.00 -0.95 -4.75 115.22 109.56 2nwa n HIS 77 Ca -0.15 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.62 2nwa n HIS 77 Cb 0.53 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 4.76 -4.55 0.26 7.64 -1.26 -4.92 113.62 115.56 2nwa n SER 78 Ca 0.00 -2.82 -0.39 0.00 1.01 0.00 0.00 58.87 56.67 2nwa n SER 78 Cb 0.00 -1.63 -0.03 0.00 -1.01 0.00 0.00 64.21 61.54 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 2.79 3.61 0.98 0.44 0.11 -1.26 -4.97 120.40 122.08 2nwa s VAL 79 Ca 0.50 0.13 -0.11 0.00 -2.93 0.00 0.00 61.98 59.58 2nwa s VAL 79 Cb 0.14 -4.55 0.18 0.00 -1.53 0.00 0.00 36.38 30.63 2nwa s VAL 79 CO -0.08 -1.49 1.12 0.21 -3.33 0.00 0.00 175.10 171.53 2nwa s ASN 80 N 5.64 2.41 0.00 3.54 2.47 -1.26 -5.22 114.94 122.53 2nwa s ASN 80 Ca 0.50 2.06 0.00 0.00 0.42 0.00 0.00 52.86 55.83 2nwa s ASN 80 Cb -0.08 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 2nwa s ASN 80 CO 0.12 -3.40 0.00 0.18 -3.72 0.00 0.00 177.10 170.29