#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 0.11 0.05 1.61 0.04 -1.26 -5.25 135.00 130.30 2nwa s PRO 4 Ca 0.00 0.04 -0.01 0.00 0.04 0.00 0.00 61.00 61.07 2nwa s PRO 4 Cb 0.00 -0.22 -0.04 0.00 0.04 0.00 0.00 34.50 34.28 2nwa s PRO 4 CO 0.00 -0.06 -0.03 0.14 0.04 0.00 0.00 177.00 177.09 2nwa s VAL 5 N 0.48 0.25 -0.07 -0.36 -7.23 -1.26 -4.54 120.40 107.66 2nwa s VAL 5 Ca -0.04 -1.66 0.04 0.00 -1.81 0.00 0.00 61.98 58.50 2nwa s VAL 5 Cb -0.07 -1.32 -0.01 0.00 0.56 0.00 0.00 36.38 35.54 2nwa s VAL 5 CO -0.01 -0.90 -0.20 -0.70 -0.31 0.00 0.00 175.10 172.98 2nwa s GLU 6 N -3.48 2.76 -0.26 4.82 2.12 -0.21 -4.99 118.70 119.47 2nwa s GLU 6 Ca 0.03 -0.81 -0.11 0.00 0.36 0.00 0.00 54.97 54.45 2nwa s GLU 6 Cb 0.05 -2.33 -0.05 0.00 0.26 0.00 0.00 34.13 32.06 2nwa s GLU 6 CO -0.08 0.38 0.18 -0.06 -0.54 0.00 0.00 175.26 175.15 2nwa s PHE 7 N -0.14 3.28 -0.04 5.30 0.08 -1.26 0.10 117.98 125.30 2nwa s PHE 7 Ca -0.03 0.20 0.04 0.00 0.12 0.00 0.00 56.93 57.25 2nwa s PHE 7 Cb -0.14 -2.33 -0.03 0.00 -0.57 0.00 0.00 43.02 39.96 2nwa s PHE 7 CO 0.04 -0.04 -0.13 -0.80 -0.10 0.00 0.00 175.22 174.19 2nwa s ASN 8 N 1.36 4.11 0.00 1.36 0.02 -0.61 -4.94 114.94 116.23 2nwa s ASN 8 Ca 0.08 -0.20 0.11 0.00 -1.02 0.00 0.00 52.86 51.83 2nwa s ASN 8 Cb -0.15 -0.87 -0.04 0.00 0.02 0.00 0.00 41.25 40.22 2nwa s ASN 8 CO 0.07 0.33 0.60 0.35 0.02 0.00 0.00 177.10 178.48 2nwa n THR 9 N 2.16 0.00 -4.00 1.60 -2.24 -1.26 -4.31 114.28 106.23 2nwa n THR 9 Ca -0.17 -0.35 -0.10 0.00 -2.27 0.00 0.00 64.05 61.17 2nwa n THR 9 Cb 0.52 1.09 -0.11 0.00 -2.10 0.00 0.00 70.33 69.73 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 -1.92 2.26 -0.39 3.22 1.02 -1.26 -4.52 118.68 117.08 2nwa s LEU 10 Ca 0.08 -0.54 -0.18 0.00 0.02 0.00 0.00 54.13 53.50 2nwa s LEU 10 Cb 0.09 0.06 0.01 0.00 0.02 0.00 0.00 46.19 46.36 2nwa s LEU 10 CO 0.32 -0.30 0.51 -0.63 0.02 0.00 0.00 176.35 176.27 2nwa s ILE 11 N -1.59 5.00 -0.46 -0.59 -1.09 0.07 -5.02 121.20 117.52 2nwa s ILE 11 Ca -0.13 0.06 -0.06 0.00 -2.23 0.00 0.00 60.65 58.28 2nwa s ILE 11 Cb -0.09 -4.03 0.12 0.00 -1.58 0.00 0.00 42.46 36.88 2nwa s ILE 11 CO -0.01 -0.36 0.30 -0.69 -1.23 0.00 0.00 174.94 172.94 2nwa s VAL 12 N 2.40 3.82 -0.42 2.92 1.01 -1.26 -0.41 120.40 128.45 2nwa s VAL 12 Ca 0.17 -1.97 -0.22 0.00 0.00 0.00 0.00 61.98 59.96 2nwa s VAL 12 Cb -0.16 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.69 2nwa s VAL 12 CO 0.15 -0.75 0.75 0.42 0.00 0.00 0.00 175.10 175.66 2nwa s THR 13 N 1.19 4.72 0.00 3.92 -4.23 0.36 -4.91 115.64 116.68 2nwa s THR 13 Ca 0.07 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 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 -0.02 -0.61 1.62 0.29 -0.54 0.00 0.00 174.62 175.36 2nwa n LYS 14 N 6.53 0.84 -0.97 3.99 4.76 -1.24 -4.12 118.16 127.94 2nwa n LYS 14 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2nwa n LYS 14 Cb 0.48 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 32.59 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 1.52 0.32 1.55 0.72 0.00 -1.26 -4.86 105.19 103.19 2nwa n GLY 15 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 3.56 -2.63 1.61 2.85 -1.26 -4.97 118.16 115.94 2nwa n LYS 16 Ca 0.00 -2.79 -0.33 0.00 -1.05 0.00 0.00 58.31 54.14 2nwa n LYS 16 Cb 0.19 -1.85 -0.05 0.00 -0.65 0.00 0.00 35.03 32.67 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 -1.74 4.09 -0.07 -1.58 1.03 -1.26 -4.72 118.70 114.44 2nwa s GLU 17 Ca 0.50 1.02 0.03 0.00 0.03 0.00 0.00 54.97 56.56 2nwa s GLU 17 Cb 0.32 -2.17 0.01 0.00 -0.80 0.00 0.00 34.13 31.49 2nwa s GLU 17 CO 0.26 -0.14 -0.16 0.08 -1.33 0.00 0.00 175.26 173.97 2nwa s VAL 18 N -2.39 1.40 -0.11 1.83 1.01 -0.19 -4.93 120.40 117.01 2nwa s VAL 18 Ca 0.60 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.73 2nwa s VAL 18 Cb -0.09 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2nwa s VAL 18 CO 0.22 0.41 0.56 0.00 0.00 0.00 0.00 175.10 176.29 2nwa s ARG 19 N 0.46 4.35 -0.00 2.72 1.70 -1.26 0.52 118.95 127.44 2nwa s ARG 19 Ca -0.13 0.60 0.17 0.00 -0.47 0.00 0.00 55.73 55.90 2nwa s ARG 19 Cb -0.15 -3.46 -0.20 0.00 -0.57 0.00 0.00 34.95 30.57 2nwa s ARG 19 CO 0.05 0.08 0.71 0.44 -1.08 0.00 0.00 175.30 175.50 2nwa n ILE 20 N 3.83 0.00 -1.49 4.99 -5.35 -0.94 -4.97 119.36 115.43 2nwa n ILE 20 Ca -0.05 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 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 -1.48 0.19 -0.04 7.28 -0.08 -1.19 -5.05 116.55 116.18 2nwa n ASP 21 Ca 0.03 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.12 2nwa n ASP 21 Cb 0.29 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.62 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 0.10 -0.00 -0.67 4.11 -2.02 -3.41 114.58 112.68 2nwa h GLU 22 Ca 0.00 -0.17 0.00 0.00 0.07 0.00 0.00 59.36 59.26 2nwa h GLU 22 Cb 0.00 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2nwa h GLU 22 CO 0.00 1.08 -0.00 0.09 0.07 0.00 0.00 179.01 180.25 2nwa n ASN 23 N -4.33 1.00 -4.63 3.06 5.03 -1.26 -5.01 115.26 109.12 2nwa n ASN 23 Ca -0.20 -1.00 -0.34 0.00 0.87 0.00 0.00 54.58 53.90 2nwa n ASN 23 Cb 0.68 0.05 -0.10 0.00 -1.02 0.00 0.00 39.78 39.39 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 4.63 0.45 2.41 -4.36 -1.26 0.09 121.20 123.07 2nwa s ILE 24 Ca 0.01 -0.10 0.05 0.00 -0.26 0.00 0.00 60.65 60.35 2nwa s ILE 24 Cb 0.00 -3.06 -0.05 0.00 1.25 0.00 0.00 42.46 40.60 2nwa s ILE 24 CO 0.01 0.49 0.01 -0.36 0.24 0.00 0.00 174.94 175.33 2nwa s PHE 25 N 0.15 2.24 -0.02 1.37 0.08 0.15 -2.22 117.98 119.72 2nwa s PHE 25 Ca 0.04 -0.79 0.02 0.00 0.12 0.00 0.00 56.93 56.31 2nwa s PHE 25 Cb -0.12 -1.70 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 2nwa s PHE 25 CO 0.01 0.35 -0.08 0.95 -0.10 0.00 0.00 175.22 176.35 2nwa s THR 26 N -2.79 0.69 -0.04 0.64 -4.23 0.18 -0.69 115.64 109.41 2nwa s THR 26 Ca 0.23 -0.31 0.03 0.00 -1.18 0.00 0.00 61.69 60.46 2nwa s THR 26 Cb 0.06 -0.62 0.00 0.00 1.34 0.00 0.00 72.50 73.28 2nwa s THR 26 CO 0.12 0.22 -0.14 -0.22 -0.54 0.00 0.00 174.62 174.06 2nwa s LEU 27 N 0.23 1.81 -0.21 4.79 0.20 0.12 -1.02 118.68 124.60 2nwa s LEU 27 Ca -0.03 -0.29 -0.05 0.00 0.69 0.00 0.00 54.13 54.44 2nwa s LEU 27 Cb -0.08 -0.82 -0.02 0.00 -0.43 0.00 0.00 46.19 44.84 2nwa s LEU 27 CO 0.00 0.10 -0.01 -0.70 -0.29 0.00 0.00 176.35 175.45 2nwa s GLU 28 N 0.25 3.55 0.23 1.98 2.12 -1.26 0.57 118.70 126.13 2nwa s GLU 28 Ca -0.07 -0.55 0.10 0.00 0.36 0.00 0.00 54.97 54.81 2nwa s GLU 28 Cb -0.12 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 2nwa s GLU 28 CO 0.02 -0.07 -0.08 0.15 -0.54 0.00 0.00 175.26 174.75 2nwa s LYS 29 N 1.19 2.08 0.07 4.30 -0.14 0.50 -4.97 119.74 122.77 2nwa s LYS 29 Ca 0.03 -1.41 -0.22 0.00 -1.36 0.00 0.00 55.97 53.01 2nwa s LYS 29 Cb -0.15 -2.10 -0.06 0.00 -1.68 0.00 0.00 37.83 33.85 2nwa s LYS 29 CO 0.01 0.39 0.67 0.34 -0.76 0.00 0.00 175.35 176.00 2nwa s ASP 30 N -3.26 7.15 0.00 2.83 -1.08 -1.26 -0.83 116.67 120.22 2nwa s ASP 30 Ca 0.28 1.36 0.00 0.00 -0.52 0.00 0.00 52.55 53.68 2nwa s ASP 30 Cb -0.07 -2.42 0.00 0.00 -1.46 0.00 0.00 42.92 38.97 2nwa s ASP 30 CO 0.17 0.15 0.00 0.61 0.52 0.00 0.00 175.17 176.62 2nwa n GLY 31 N 2.06 -1.16 3.53 2.66 0.00 0.23 -4.79 105.19 107.72 2nwa n GLY 31 Ca -0.06 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.67 2.67 0.13 1.61 2.02 -1.25 -2.92 117.35 116.94 2nwa s TYR 32 Ca 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 2nwa s TYR 32 Cb 0.00 -4.27 -0.04 0.00 -0.40 0.00 0.00 41.96 37.25 2nwa s TYR 32 CO 0.00 -1.53 0.29 1.03 -1.57 0.00 0.00 175.55 173.77 2nwa s ARG 33 N 4.40 3.47 -0.20 -0.62 3.00 -1.26 -1.04 118.95 126.71 2nwa s ARG 33 Ca 0.33 -0.44 -0.02 0.00 0.00 0.00 0.00 55.73 55.59 2nwa s ARG 33 Cb -0.11 -2.95 0.00 0.00 0.00 0.00 0.00 34.95 31.89 2nwa s ARG 33 CO 0.19 0.52 -0.11 0.08 0.00 0.00 0.00 175.30 175.98 2nwa s VAL 34 N -1.69 2.87 0.02 3.52 1.01 0.28 -4.86 120.40 121.56 2nwa s VAL 34 Ca 0.36 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.75 2nwa s VAL 34 Cb -0.12 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2nwa s VAL 34 CO 0.28 0.47 -0.23 -0.31 0.00 0.00 0.00 175.10 175.32 2nwa s TYR 35 N 1.34 2.43 0.00 5.22 2.02 -1.26 -1.58 117.35 125.53 2nwa s TYR 35 Ca 0.04 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 2nwa s TYR 35 Cb -0.14 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 39.96 2nwa s TYR 35 CO -0.06 0.14 0.00 -2.30 -1.57 0.00 0.00 175.55 171.76 2nwa n PRO 36 N 1.89 -0.88 0.00 -1.71 -0.02 -1.26 -5.06 135.00 127.96 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 -1.26 0.00 -3.70 -0.52 4.07 -1.07 -4.49 120.64 113.67 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 5.38 0.75 6.31 1.01 -1.26 -4.95 121.20 128.44 2nwa s ILE 39 Ca 0.00 0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.88 2nwa s ILE 39 Cb 0.00 -3.52 0.05 0.00 0.01 0.00 0.00 42.46 39.00 2nwa s ILE 39 CO 0.00 0.48 1.09 -2.16 0.00 0.00 0.00 174.94 174.35 2nwa s PRO 40 N -0.06 2.39 -0.07 2.79 0.04 -1.26 -4.45 135.00 134.37 2nwa s PRO 40 Ca 0.13 1.15 -0.03 0.00 0.04 0.00 0.00 61.00 62.30 2nwa s PRO 40 Cb -0.12 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2nwa s PRO 40 CO 0.02 -1.54 0.08 -0.51 0.04 0.00 0.00 177.00 175.09 2nwa s ASP 42 N -3.39 5.80 -0.03 6.66 1.11 -1.26 -4.96 116.67 120.60 2nwa s ASP 42 Ca 0.61 0.26 0.05 0.00 0.18 0.00 0.00 52.55 53.66 2nwa s ASP 42 Cb -0.17 -1.74 -0.01 0.00 1.07 0.00 0.00 42.92 42.07 2nwa s ASP 42 CO 0.55 0.35 -0.20 0.68 1.18 0.00 0.00 175.17 177.73 2nwa s VAL 43 N -1.05 1.60 0.08 -1.27 -7.23 0.29 -0.75 120.40 112.07 2nwa s VAL 43 Ca 0.17 -0.84 -0.08 0.00 -1.81 0.00 0.00 61.98 59.42 2nwa s VAL 43 Cb -0.12 -1.35 -0.00 0.00 0.56 0.00 0.00 36.38 35.47 2nwa s VAL 43 CO 0.07 0.45 0.17 0.00 -0.31 0.00 0.00 175.10 175.49 2nwa s ARG 44 N -0.24 0.81 -0.00 4.82 1.70 0.45 -0.18 118.95 126.31 2nwa s ARG 44 Ca 0.02 -0.94 -0.21 0.00 -0.47 0.00 0.00 55.73 54.13 2nwa s ARG 44 Cb -0.10 0.33 -0.23 0.00 -0.57 0.00 0.00 34.95 34.38 2nwa s ARG 44 CO 0.01 -0.25 1.10 -0.22 -1.08 0.00 0.00 175.30 174.86 2nwa h LYS 45 N 2.85 0.37 -5.16 3.89 1.63 -1.81 0.10 116.57 118.44 2nwa h LYS 45 Ca -0.34 -0.38 -0.37 0.00 -0.85 0.00 0.00 60.65 58.71 2nwa h LYS 45 Cb 1.19 0.10 -0.14 0.00 -0.60 0.00 0.00 32.23 32.78 2nwa h LYS 45 CO 0.56 1.05 -0.69 0.99 -3.45 0.00 0.00 179.45 177.91 2nwa s THR 46 N -3.26 1.22 0.47 1.00 2.01 -1.26 -3.63 115.64 112.18 2nwa s THR 46 Ca -0.14 -2.07 0.16 0.00 0.31 0.00 0.00 61.69 59.95 2nwa s THR 46 Cb 0.03 -2.12 0.33 0.00 0.01 0.00 0.00 72.50 70.75 2nwa s THR 46 CO 0.80 -0.53 2.02 0.11 -0.69 0.00 0.00 174.62 176.34 2nwa h LYS 47 N 2.59 0.25 0.00 4.92 1.79 -1.97 -3.44 116.57 120.72 2nwa h LYS 47 Ca -0.38 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 2nwa h LYS 47 Cb 1.21 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2nwa h LYS 47 CO 0.64 0.16 0.00 1.19 -1.08 0.00 0.00 179.45 180.36 2nwa n PHE 48 N -4.46 0.00 -4.05 -1.35 3.72 -1.26 -5.14 117.46 104.92 2nwa n PHE 48 Ca 0.07 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.23 2nwa n PHE 48 Cb 0.34 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.85 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 -0.48 3.10 -0.01 -1.08 2.12 -1.26 -4.95 118.70 116.12 2nwa s GLU 50 Ca 0.00 -0.88 -0.36 0.00 0.36 0.00 0.00 54.97 54.09 2nwa s GLU 50 Cb 0.00 -2.71 -0.15 0.00 0.26 0.00 0.00 34.13 31.54 2nwa s GLU 50 CO 0.00 0.45 1.62 1.17 -0.54 0.00 0.00 175.26 177.96 2nwa n LYS 51 N -0.92 1.67 0.02 4.30 4.81 -1.26 -4.57 118.16 122.21 2nwa n LYS 51 Ca -0.08 0.61 0.11 0.00 -0.87 0.00 0.00 58.31 58.08 2nwa n LYS 51 Cb 0.56 -2.34 -0.10 0.00 0.02 0.00 0.00 35.03 33.17 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 4.35 0.33 0.00 3.14 2.88 0.74 -4.13 113.62 120.93 2nwa n SER 52 Ca 0.21 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 2nwa n SER 52 Cb 0.23 1.43 0.00 0.00 -0.75 0.00 0.00 64.21 65.11 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 1.26 -2.00 3.35 0.46 0.00 -0.98 -2.16 105.19 105.12 2nwa n GLY 53 Ca -0.02 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.60 2.17 0.24 2.61 2.01 -0.39 -0.55 115.64 119.13 2nwa s THR 54 Ca 0.00 -1.36 -0.11 0.00 0.31 0.00 0.00 61.69 60.54 2nwa s THR 54 Cb 0.00 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 2nwa s THR 54 CO 0.00 0.38 0.41 0.00 -0.69 0.00 0.00 174.62 174.73 2nwa s ALA 55 N -0.80 0.01 -0.05 7.40 0.00 -1.26 -0.60 121.76 126.46 2nwa s ALA 55 Ca 0.12 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 2nwa s ALA 55 Cb -0.10 1.12 0.03 0.00 0.00 0.00 0.00 23.12 24.17 2nwa s ALA 55 CO 0.02 -0.80 0.03 -1.21 0.00 0.00 0.00 175.76 173.80 2nwa s GLU 56 N -4.04 0.16 0.07 0.00 2.02 -0.56 -4.30 118.70 112.05 2nwa s GLU 56 Ca 0.25 0.26 -0.31 0.00 0.02 0.00 0.00 54.97 55.19 2nwa s GLU 56 Cb 0.01 -0.62 -0.08 0.00 0.10 0.00 0.00 34.13 33.53 2nwa s GLU 56 CO 0.09 -0.29 1.59 0.08 0.02 0.00 0.00 175.26 176.75 2nwa s VAL 57 N 1.91 3.10 -0.18 2.63 1.01 -1.26 -1.14 120.40 126.47 2nwa s VAL 57 Ca 0.02 0.60 0.16 0.00 0.00 0.00 0.00 61.98 62.76 2nwa s VAL 57 Cb -0.12 -3.38 -0.24 0.00 0.00 0.00 0.00 36.38 32.63 2nwa s VAL 57 CO -0.03 0.01 0.15 0.00 0.00 0.00 0.00 175.10 175.22 2nwa n GLN 58 N 5.25 0.68 -3.76 2.72 1.13 0.98 -2.60 117.38 121.77 2nwa n GLN 58 Ca 0.15 0.05 -0.13 0.00 -1.94 0.00 0.00 57.00 55.13 2nwa n GLN 58 Cb 0.41 -1.56 -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 -2.51 0.54 -0.02 -1.09 2.20 -0.93 -4.98 119.74 112.95 2nwa s LYS 59 Ca -0.10 0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 2nwa s LYS 59 Cb 0.06 0.25 0.02 0.00 -1.51 0.00 0.00 37.83 36.65 2nwa s LYS 59 CO 0.82 -0.12 0.00 -1.17 -0.36 0.00 0.00 175.35 174.52 2nwa s LEU 60 N -0.65 1.40 0.03 5.43 0.20 -1.26 -0.93 118.68 122.90 2nwa s LEU 60 Ca -0.07 -0.01 0.01 0.00 0.69 0.00 0.00 54.13 54.75 2nwa s LEU 60 Cb -0.04 -0.13 -0.02 0.00 -0.43 0.00 0.00 46.19 45.57 2nwa s LEU 60 CO 0.02 -0.07 -0.06 0.00 -0.29 0.00 0.00 176.35 175.96 2nwa s GLN 61 N 0.70 0.43 -0.06 1.98 -2.07 -0.97 -5.03 119.66 114.64 2nwa s GLN 61 Ca -0.06 -0.66 0.04 0.00 -1.82 0.00 0.00 55.36 52.86 2nwa s GLN 61 Cb -0.09 -0.14 -0.02 0.00 -1.09 0.00 0.00 33.01 31.66 2nwa s GLN 61 CO -0.02 0.01 -0.17 -1.58 -1.32 0.00 0.00 175.29 172.22 2nwa s TRP 62 N -1.32 2.64 -0.29 9.60 0.51 -1.26 -2.09 118.94 126.73 2nwa s TRP 62 Ca -0.11 -0.35 -0.16 0.00 -2.12 0.00 0.00 56.10 53.36 2nwa s TRP 62 Cb -0.09 -1.65 0.14 0.00 -0.81 0.00 0.00 33.47 31.06 2nwa s TRP 62 CO -0.00 0.04 0.94 -2.00 -0.51 0.00 0.00 176.95 175.41 2nwa s GLU 63 N -0.46 0.42 -0.84 4.98 2.12 -0.34 -5.01 118.70 119.57 2nwa s GLU 63 Ca 0.05 0.75 -0.03 0.00 0.36 0.00 0.00 54.97 56.10 2nwa s GLU 63 Cb -0.12 0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.39 2nwa s GLU 63 CO 0.02 -0.09 0.64 0.39 -0.54 0.00 0.00 175.26 175.68 2nwa n GLU 64 N 3.90 -1.41 -0.37 4.30 1.02 -1.26 -1.38 120.64 125.43 2nwa n GLU 64 Ca -0.18 0.91 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 2nwa n GLU 64 Cb 0.57 -3.35 0.00 0.00 -0.02 0.00 0.00 31.44 28.64 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 -4.89 105.19 101.47 2nwa n GLY 65 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.73 1.78 -0.03 1.61 0.52 -0.48 0.75 118.95 122.37 2nwa s ARG 66 Ca 0.00 -1.78 0.03 0.00 -0.52 0.00 0.00 55.73 53.46 2nwa s ARG 66 Cb 0.00 -1.80 0.00 0.00 0.52 0.00 0.00 34.95 33.68 2nwa s ARG 66 CO 0.00 0.28 -0.12 -0.08 0.02 0.00 0.00 175.30 175.40 2nwa s THR 67 N -2.52 1.02 -0.10 0.02 -1.32 -0.01 -1.20 115.64 111.52 2nwa s THR 67 Ca 0.31 -0.49 0.01 0.00 -1.21 0.00 0.00 61.69 60.31 2nwa s THR 67 Cb -0.03 -0.89 0.02 0.00 -1.51 0.00 0.00 72.50 70.09 2nwa s THR 67 CO 0.16 0.31 -0.12 -0.51 -2.21 0.00 0.00 174.62 172.24 2nwa s ILE 68 N 0.14 1.28 0.16 5.08 2.07 -0.89 0.19 121.20 129.22 2nwa s ILE 68 Ca -0.03 -0.50 0.08 0.00 -1.41 0.00 0.00 60.65 58.78 2nwa s ILE 68 Cb -0.10 -1.20 -0.04 0.00 0.13 0.00 0.00 42.46 41.25 2nwa s ILE 68 CO 0.01 0.40 -0.06 0.27 -1.91 0.00 0.00 174.94 173.65 2nwa s ILE 69 N 1.13 3.42 -0.22 2.00 -4.36 0.19 -2.30 121.20 121.07 2nwa s ILE 69 Ca -0.05 -1.46 0.02 0.00 -0.26 0.00 0.00 60.65 58.90 2nwa s ILE 69 Cb -0.14 -2.68 0.04 0.00 1.25 0.00 0.00 42.46 40.93 2nwa s ILE 69 CO -0.03 -0.04 -0.14 -0.89 0.24 0.00 0.00 174.94 174.08 2nwa s THR 70 N -1.57 2.06 0.23 8.37 2.01 -0.11 0.11 115.64 126.75 2nwa s THR 70 Ca 0.25 -1.32 0.11 0.00 0.31 0.00 0.00 61.69 61.04 2nwa s THR 70 Cb -0.10 -2.06 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 2nwa s THR 70 CO 0.16 0.19 -0.20 -0.72 -0.69 0.00 0.00 174.62 173.36 2nwa s TYR 71 N 1.20 2.15 -0.31 4.92 -0.85 0.14 -0.02 117.35 124.58 2nwa s TYR 71 Ca -0.03 -0.39 -0.08 0.00 -0.52 0.00 0.00 57.07 56.04 2nwa s TYR 71 Cb -0.17 -0.99 0.01 0.00 0.38 0.00 0.00 41.96 41.18 2nwa s TYR 71 CO -0.08 0.56 0.13 0.21 -1.52 0.00 0.00 175.55 174.84 2nwa s LYS 72 N -3.21 3.14 -0.19 -3.49 2.20 -0.29 0.31 119.74 118.22 2nwa s LYS 72 Ca 0.24 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 54.72 2nwa s LYS 72 Cb -0.05 -3.50 -0.02 0.00 -1.51 0.00 0.00 37.83 32.75 2nwa s LYS 72 CO 0.11 -0.47 1.37 -1.17 -0.36 0.00 0.00 175.35 174.83 2nwa s LEU 73 N 1.55 4.09 0.00 5.43 2.96 0.11 -1.50 118.68 131.32 2nwa s LEU 73 Ca 0.03 1.64 0.22 0.00 -0.22 0.00 0.00 54.13 55.80 2nwa s LEU 73 Cb -0.17 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 2nwa s LEU 73 CO 0.05 -0.93 1.06 0.35 -1.32 0.00 0.00 176.35 175.56 2nwa n THR 74 N 5.73 0.00 -3.61 3.68 -2.24 0.23 -4.89 114.28 113.17 2nwa n THR 74 Ca 0.15 -0.07 -0.04 0.00 -2.27 0.00 0.00 64.05 61.82 2nwa n THR 74 Cb 0.45 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.56 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 -2.85 -0.12 0.06 3.42 1.04 -1.08 -4.95 113.70 109.23 2nwa s SER 75 Ca 0.12 0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.65 2nwa s SER 75 Cb 0.17 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 2nwa s SER 75 CO 0.76 -0.16 -0.03 -0.76 0.98 0.00 0.00 173.24 174.03 2nwa s LEU 76 N -1.66 3.35 0.00 2.42 1.02 -1.26 -1.26 118.68 121.29 2nwa s LEU 76 Ca 0.08 -0.18 0.00 0.00 0.02 0.00 0.00 54.13 54.05 2nwa s LEU 76 Cb -0.01 -2.04 0.00 0.00 0.02 0.00 0.00 46.19 44.16 2nwa s LEU 76 CO -0.05 0.21 0.00 1.57 0.02 0.00 0.00 176.35 178.10 2nwa n HIS 77 N 0.89 0.00 -1.82 0.29 -0.00 -0.92 -4.76 115.22 108.89 2nwa n HIS 77 Ca -0.13 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.64 2nwa n HIS 77 Cb 0.52 0.00 -0.01 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 5.96 -4.55 0.26 7.64 -1.26 -4.92 113.62 116.75 2nwa n SER 78 Ca 0.00 -2.89 -0.39 0.00 1.01 0.00 0.00 58.87 56.60 2nwa n SER 78 Cb 0.00 -1.54 -0.03 0.00 -1.01 0.00 0.00 64.21 61.62 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 1.58 3.54 1.01 0.44 0.11 -1.26 -4.97 120.40 120.85 2nwa s VAL 79 Ca 0.52 0.19 -0.12 0.00 -2.93 0.00 0.00 61.98 59.64 2nwa s VAL 79 Cb 0.15 -4.40 0.20 0.00 -1.53 0.00 0.00 36.38 30.79 2nwa s VAL 79 CO -0.06 -1.35 1.08 0.21 -3.33 0.00 0.00 175.10 171.65 2nwa s ASN 80 N 6.19 2.30 0.00 3.54 2.47 -1.26 -5.22 114.94 122.95 2nwa s ASN 80 Ca 0.53 1.71 0.00 0.00 0.42 0.00 0.00 52.86 55.52 2nwa s ASN 80 Cb -0.10 -2.34 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 2nwa s ASN 80 CO 0.15 -3.41 0.36 0.18 -3.72 0.00 0.00 177.10 170.66