#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 0.36 0.15 1.61 0.04 -1.26 -5.29 135.00 130.61 2nwa s PRO 4 Ca 0.00 0.54 0.01 0.00 0.04 0.00 0.00 61.00 61.59 2nwa s PRO 4 Cb 0.00 0.12 -0.04 0.00 0.04 0.00 0.00 34.50 34.61 2nwa s PRO 4 CO 0.00 -0.06 -0.00 0.14 0.04 0.00 0.00 177.00 177.12 2nwa s VAL 5 N 0.86 0.56 -0.06 -0.36 -7.23 -1.26 -4.51 120.40 108.40 2nwa s VAL 5 Ca -0.04 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.21 2nwa s VAL 5 Cb -0.04 -1.99 0.01 0.00 0.56 0.00 0.00 36.38 34.91 2nwa s VAL 5 CO -0.12 -0.57 -0.16 -0.70 -0.31 0.00 0.00 175.10 173.24 2nwa s GLU 6 N -3.92 1.89 -0.27 4.82 2.12 -0.44 -5.00 118.70 117.90 2nwa s GLU 6 Ca 0.21 -0.54 -0.15 0.00 0.36 0.00 0.00 54.97 54.84 2nwa s GLU 6 Cb 0.06 -1.56 -0.04 0.00 0.26 0.00 0.00 34.13 32.85 2nwa s GLU 6 CO 0.01 0.13 0.38 -0.06 -0.54 0.00 0.00 175.26 175.18 2nwa s PHE 7 N 0.38 3.25 -0.07 5.30 0.08 -1.26 0.25 117.98 125.90 2nwa s PHE 7 Ca -0.11 0.41 0.01 0.00 0.12 0.00 0.00 56.93 57.35 2nwa s PHE 7 Cb -0.14 -2.58 -0.03 0.00 -0.57 0.00 0.00 43.02 39.70 2nwa s PHE 7 CO 0.04 -0.23 -0.08 -0.80 -0.10 0.00 0.00 175.22 174.05 2nwa s ASN 8 N 1.64 4.56 0.00 1.36 0.02 -0.57 -4.95 114.94 117.00 2nwa s ASN 8 Ca 0.15 -0.06 0.12 0.00 -1.02 0.00 0.00 52.86 52.05 2nwa s ASN 8 Cb -0.16 -1.19 -0.12 0.00 0.02 0.00 0.00 41.25 39.80 2nwa s ASN 8 CO 0.10 0.34 0.50 0.35 0.02 0.00 0.00 177.10 178.41 2nwa n THR 9 N 2.37 0.00 -4.08 1.60 -2.24 -1.26 -4.31 114.28 106.35 2nwa n THR 9 Ca -0.18 -0.23 -0.11 0.00 -2.27 0.00 0.00 64.05 61.26 2nwa n THR 9 Cb 0.53 1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.65 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 -2.54 2.33 -0.35 3.22 1.02 -1.26 -4.55 118.68 116.56 2nwa s LEU 10 Ca 0.05 -0.69 -0.16 0.00 0.02 0.00 0.00 54.13 53.35 2nwa s LEU 10 Cb 0.09 -0.08 -0.01 0.00 0.02 0.00 0.00 46.19 46.21 2nwa s LEU 10 CO 0.48 -0.31 0.38 -0.63 0.02 0.00 0.00 176.35 176.29 2nwa s ILE 11 N -2.14 5.15 -0.41 -0.59 -1.09 -0.09 -5.02 121.20 117.01 2nwa s ILE 11 Ca -0.04 -0.00 -0.06 0.00 -2.23 0.00 0.00 60.65 58.32 2nwa s ILE 11 Cb -0.05 -3.86 0.09 0.00 -1.58 0.00 0.00 42.46 37.06 2nwa s ILE 11 CO -0.02 -0.15 0.22 -0.69 -1.23 0.00 0.00 174.94 173.07 2nwa s VAL 12 N 2.05 3.69 -0.41 2.92 1.01 -1.26 -0.40 120.40 128.00 2nwa s VAL 12 Ca 0.12 -1.72 -0.19 0.00 0.00 0.00 0.00 61.98 60.19 2nwa s VAL 12 Cb -0.17 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2nwa s VAL 12 CO 0.12 -0.57 0.56 0.42 0.00 0.00 0.00 175.10 175.63 2nwa s THR 13 N 1.28 4.94 0.00 3.92 -4.23 0.52 -4.92 115.64 117.16 2nwa s THR 13 Ca 0.04 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 2nwa s THR 13 Cb -0.23 -4.11 0.00 0.00 1.34 0.00 0.00 72.50 69.50 2nwa s THR 13 CO -0.01 -0.47 0.83 0.29 -0.54 0.00 0.00 174.62 174.72 2nwa n LYS 14 N 5.97 0.68 -1.00 3.99 4.76 -1.24 -4.11 118.16 127.21 2nwa n LYS 14 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 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 0.87 0.50 1.56 0.72 0.00 -1.26 -4.89 105.19 102.68 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 -2.56 3.67 -2.69 1.61 2.85 -1.26 -4.98 118.16 114.80 2nwa n LYS 16 Ca 0.00 -2.87 -0.32 0.00 -1.05 0.00 0.00 58.31 54.06 2nwa n LYS 16 Cb 0.04 -1.87 -0.05 0.00 -0.65 0.00 0.00 35.03 32.50 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 4.05 -0.07 -1.58 1.03 -1.26 -4.73 118.70 114.35 2nwa s GLU 17 Ca 0.51 0.94 0.03 0.00 0.03 0.00 0.00 54.97 56.48 2nwa s GLU 17 Cb 0.32 -2.21 0.01 0.00 -0.80 0.00 0.00 34.13 31.46 2nwa s GLU 17 CO 0.25 -0.11 -0.13 0.08 -1.33 0.00 0.00 175.26 174.02 2nwa s VAL 18 N -2.36 1.23 -0.15 1.83 1.01 -0.21 -4.94 120.40 116.81 2nwa s VAL 18 Ca 0.59 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.83 2nwa s VAL 18 Cb -0.10 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 2nwa s VAL 18 CO 0.23 0.37 0.58 0.00 0.00 0.00 0.00 175.10 176.28 2nwa s ARG 19 N 0.59 4.29 -0.00 2.72 1.70 -1.26 0.79 118.95 127.77 2nwa s ARG 19 Ca -0.14 0.58 0.20 0.00 -0.47 0.00 0.00 55.73 55.89 2nwa s ARG 19 Cb -0.16 -3.51 -0.23 0.00 -0.57 0.00 0.00 34.95 30.49 2nwa s ARG 19 CO 0.04 -0.05 0.77 0.44 -1.08 0.00 0.00 175.30 175.42 2nwa n ILE 20 N 4.19 0.00 -1.24 4.99 -5.35 -0.99 -4.97 119.36 115.98 2nwa n ILE 20 Ca -0.04 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 2nwa n ILE 20 Cb 0.51 0.84 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 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 -1.59 0.37 -0.06 7.28 -0.08 -1.20 -5.05 116.55 116.22 2nwa n ASP 21 Ca 0.02 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.12 2nwa n ASP 21 Cb 0.34 0.00 -0.13 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 0.06 -0.00 -0.67 4.11 -2.02 -3.41 114.58 112.64 2nwa h GLU 22 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.32 2nwa h GLU 22 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2nwa h GLU 22 CO 0.00 1.05 -0.01 0.09 0.07 0.00 0.00 179.01 180.22 2nwa n ASN 23 N -4.39 0.94 -4.69 3.06 5.03 -1.26 -5.01 115.26 108.95 2nwa n ASN 23 Ca -0.21 -0.97 -0.35 0.00 0.87 0.00 0.00 54.58 53.92 2nwa n ASN 23 Cb 0.65 0.13 -0.09 0.00 -1.02 0.00 0.00 39.78 39.46 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 -0.22 4.78 0.40 2.41 -4.36 -1.26 0.12 121.20 123.08 2nwa s ILE 24 Ca 0.01 -0.05 0.06 0.00 -0.26 0.00 0.00 60.65 60.41 2nwa s ILE 24 Cb 0.01 -3.11 -0.07 0.00 1.25 0.00 0.00 42.46 40.54 2nwa s ILE 24 CO 0.02 0.52 0.02 -0.36 0.24 0.00 0.00 174.94 175.38 2nwa s PHE 25 N -0.17 2.31 -0.02 1.37 0.08 0.15 -2.35 117.98 119.35 2nwa s PHE 25 Ca 0.07 -0.78 0.03 0.00 0.12 0.00 0.00 56.93 56.37 2nwa s PHE 25 Cb -0.12 -1.63 -0.00 0.00 -0.57 0.00 0.00 43.02 40.70 2nwa s PHE 25 CO 0.01 0.31 -0.10 0.95 -0.10 0.00 0.00 175.22 176.29 2nwa s THR 26 N -2.88 0.85 -0.03 0.64 -4.23 0.24 -0.72 115.64 109.51 2nwa s THR 26 Ca 0.32 -0.42 0.03 0.00 -1.18 0.00 0.00 61.69 60.44 2nwa s THR 26 Cb 0.09 -0.74 0.00 0.00 1.34 0.00 0.00 72.50 73.19 2nwa s THR 26 CO 0.16 0.26 -0.10 -0.22 -0.54 0.00 0.00 174.62 174.18 2nwa s LEU 27 N 0.06 1.75 -0.19 4.79 0.20 0.58 -1.04 118.68 124.83 2nwa s LEU 27 Ca -0.01 -0.21 -0.04 0.00 0.69 0.00 0.00 54.13 54.55 2nwa s LEU 27 Cb -0.08 -0.62 -0.02 0.00 -0.43 0.00 0.00 46.19 45.05 2nwa s LEU 27 CO 0.00 0.06 -0.02 -0.70 -0.29 0.00 0.00 176.35 175.40 2nwa s GLU 28 N 0.28 3.59 0.24 1.98 2.12 -1.26 0.66 118.70 126.31 2nwa s GLU 28 Ca -0.05 -0.54 0.11 0.00 0.36 0.00 0.00 54.97 54.85 2nwa s GLU 28 Cb -0.10 -3.00 -0.05 0.00 0.26 0.00 0.00 34.13 31.24 2nwa s GLU 28 CO 0.01 0.06 -0.17 0.15 -0.54 0.00 0.00 175.26 174.76 2nwa s LYS 29 N 0.86 1.77 0.01 4.30 -0.14 0.39 -4.97 119.74 121.97 2nwa s LYS 29 Ca -0.00 -1.60 -0.21 0.00 -1.36 0.00 0.00 55.97 52.81 2nwa s LYS 29 Cb -0.14 -1.89 -0.06 0.00 -1.68 0.00 0.00 37.83 34.06 2nwa s LYS 29 CO 0.02 0.37 0.60 0.34 -0.76 0.00 0.00 175.35 175.92 2nwa s ASP 30 N -3.23 7.01 0.00 2.83 -1.08 -1.26 -0.61 116.67 120.33 2nwa s ASP 30 Ca 0.27 1.20 0.00 0.00 -0.52 0.00 0.00 52.55 53.50 2nwa s ASP 30 Cb -0.06 -2.37 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 2nwa s ASP 30 CO 0.14 0.12 0.00 0.61 0.52 0.00 0.00 175.17 176.57 2nwa n GLY 31 N 2.32 -0.11 3.56 2.66 0.00 0.13 -4.82 105.19 108.94 2nwa n GLY 31 Ca -0.07 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.79 2.76 0.09 1.61 2.02 -1.26 -3.03 117.35 116.75 2nwa s TYR 32 Ca 0.00 0.31 0.01 0.00 -0.37 0.00 0.00 57.07 57.02 2nwa s TYR 32 Cb 0.00 -4.25 -0.04 0.00 -0.40 0.00 0.00 41.96 37.27 2nwa s TYR 32 CO 0.00 -1.37 0.22 1.03 -1.57 0.00 0.00 175.55 173.86 2nwa s ARG 33 N 4.31 3.37 -0.19 -0.62 3.00 -1.26 -1.32 118.95 126.23 2nwa s ARG 33 Ca 0.38 -0.53 -0.02 0.00 0.00 0.00 0.00 55.73 55.56 2nwa s ARG 33 Cb -0.10 -2.97 -0.01 0.00 0.00 0.00 0.00 34.95 31.87 2nwa s ARG 33 CO 0.24 0.57 -0.09 0.08 0.00 0.00 0.00 175.30 176.11 2nwa s VAL 34 N -1.58 3.11 0.08 3.52 1.01 0.14 -4.87 120.40 121.81 2nwa s VAL 34 Ca 0.34 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 61.82 2nwa s VAL 34 Cb -0.12 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 2nwa s VAL 34 CO 0.27 0.47 -0.26 -0.31 0.00 0.00 0.00 175.10 175.28 2nwa s TYR 35 N 1.12 2.24 0.00 5.22 2.02 -1.26 -1.51 117.35 125.17 2nwa s TYR 35 Ca 0.01 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 2nwa s TYR 35 Cb -0.14 -1.28 0.00 0.00 -0.40 0.00 0.00 41.96 40.13 2nwa s TYR 35 CO -0.02 0.21 0.00 -2.30 -1.57 0.00 0.00 175.55 171.87 2nwa n PRO 36 N 1.40 -0.24 0.00 -1.71 -0.02 -1.26 -5.05 135.00 128.12 2nwa n PRO 36 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2nwa n PRO 36 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 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 -0.85 0.00 -3.69 -0.52 4.07 -0.97 -4.49 120.64 114.18 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 5.39 0.75 6.31 1.01 -1.26 -4.95 121.20 128.45 2nwa s ILE 39 Ca 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.84 2nwa s ILE 39 Cb 0.00 -3.51 0.05 0.00 0.01 0.00 0.00 42.46 39.01 2nwa s ILE 39 CO 0.00 0.46 1.10 -2.16 0.00 0.00 0.00 174.94 174.33 2nwa s PRO 40 N 0.15 2.35 0.03 2.79 0.04 -1.26 -4.43 135.00 134.67 2nwa s PRO 40 Ca 0.12 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 2nwa s PRO 40 Cb -0.12 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2nwa s PRO 40 CO 0.01 -1.58 0.18 -0.51 0.04 0.00 0.00 177.00 175.13 2nwa s ASP 42 N -3.23 6.23 -0.04 6.66 1.11 -1.26 -4.98 116.67 121.15 2nwa s ASP 42 Ca 0.62 0.27 0.02 0.00 0.18 0.00 0.00 52.55 53.64 2nwa s ASP 42 Cb -0.18 -1.91 0.01 0.00 1.07 0.00 0.00 42.92 41.92 2nwa s ASP 42 CO 0.53 0.22 -0.09 0.68 1.18 0.00 0.00 175.17 177.69 2nwa s VAL 43 N -1.39 0.82 0.06 -1.27 -7.23 -0.41 -0.91 120.40 110.07 2nwa s VAL 43 Ca 0.30 -0.33 -0.03 0.00 -1.81 0.00 0.00 61.98 60.12 2nwa s VAL 43 Cb -0.13 -0.77 -0.03 0.00 0.56 0.00 0.00 36.38 36.01 2nwa s VAL 43 CO 0.22 0.28 0.02 0.00 -0.31 0.00 0.00 175.10 175.31 2nwa s ARG 44 N 0.57 0.66 0.12 4.82 1.70 0.46 -1.18 118.95 126.10 2nwa s ARG 44 Ca -0.10 -1.16 -0.12 0.00 -0.47 0.00 0.00 55.73 53.89 2nwa s ARG 44 Cb -0.13 0.24 -0.10 0.00 -0.57 0.00 0.00 34.95 34.39 2nwa s ARG 44 CO 0.01 -0.14 1.39 -0.22 -1.08 0.00 0.00 175.30 175.26 2nwa h LYS 45 N 3.08 0.86 -4.39 3.89 1.63 -1.83 0.15 116.57 119.97 2nwa h LYS 45 Ca -0.34 -0.56 -0.23 0.00 -0.85 0.00 0.00 60.65 58.67 2nwa h LYS 45 Cb 1.15 0.07 -0.13 0.00 -0.60 0.00 0.00 32.23 32.73 2nwa h LYS 45 CO 0.64 1.19 -0.46 0.95 -3.45 0.00 0.00 179.45 178.32 2nwa s THR 46 N -4.10 0.00 0.00 1.00 -4.23 -1.26 -3.67 115.64 103.39 2nwa s THR 46 Ca -0.11 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2nwa s THR 46 Cb 0.10 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.49 2nwa s THR 46 CO 0.89 0.00 0.82 0.29 -0.54 0.00 0.00 174.62 176.08 2nwa n LYS 47 N -0.36 0.75 -3.42 3.99 5.02 -1.26 -4.88 118.16 118.00 2nwa n LYS 47 Ca 0.02 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.05 2nwa n LYS 47 Cb 0.64 -1.13 -0.11 0.00 -0.02 0.00 0.00 35.03 34.42 2nwa n LYS 47 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2nwa s PHE 48 N 0.27 0.49 0.00 2.13 0.08 -1.26 -5.20 117.98 114.49 2nwa s PHE 48 Ca 0.00 -1.51 0.00 0.00 0.12 0.00 0.00 56.93 55.54 2nwa s PHE 48 Cb 0.00 -0.77 0.00 0.00 -0.57 0.00 0.00 43.02 41.68 2nwa s PHE 48 CO 0.00 -0.87 0.00 -1.91 -0.10 0.00 0.00 175.22 172.34 2nwa n GLU 50 N 3.93 0.00 -1.59 0.44 2.13 -1.26 -5.12 120.64 119.17 2nwa n GLU 50 Ca 0.14 0.00 -0.60 0.00 0.66 0.00 0.00 57.16 57.36 2nwa n GLU 50 Cb 0.40 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.03 2nwa n GLU 50 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2nwa n LYS 51 N 0.00 0.29 0.02 5.31 4.81 -1.26 -4.65 118.16 122.67 2nwa n LYS 51 Ca 0.00 0.10 0.09 0.00 -0.87 0.00 0.00 58.31 57.63 2nwa n LYS 51 Cb 0.00 -1.64 -0.12 0.00 0.02 0.00 0.00 35.03 33.29 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 2.56 0.29 0.00 3.14 2.88 -0.32 -4.13 113.62 118.03 2nwa n SER 52 Ca 0.23 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2nwa n SER 52 Cb 0.07 1.37 0.00 0.00 -0.75 0.00 0.00 64.21 64.90 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 -1.38 3.28 0.46 0.00 -0.97 -2.02 105.19 105.85 2nwa n GLY 53 Ca -0.06 -1.14 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.98 1.79 0.25 2.61 2.01 -0.07 -1.28 115.64 117.97 2nwa s THR 54 Ca 0.00 -1.30 -0.11 0.00 0.31 0.00 0.00 61.69 60.58 2nwa s THR 54 Cb 0.00 -1.56 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 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 -0.08 -0.04 7.40 0.00 -1.26 -0.70 121.76 126.22 2nwa s ALA 55 Ca 0.08 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 2nwa s ALA 55 Cb -0.09 1.09 0.03 0.00 0.00 0.00 0.00 23.12 24.15 2nwa s ALA 55 CO 0.02 -0.83 0.04 -1.21 0.00 0.00 0.00 175.76 173.78 2nwa s GLU 56 N -3.93 0.00 0.02 0.00 2.02 -0.67 -4.35 118.70 111.79 2nwa s GLU 56 Ca 0.24 0.29 -0.30 0.00 0.02 0.00 0.00 54.97 55.21 2nwa s GLU 56 Cb -0.00 -0.46 -0.06 0.00 0.10 0.00 0.00 34.13 33.70 2nwa s GLU 56 CO 0.10 -0.27 1.52 0.08 0.02 0.00 0.00 175.26 176.71 2nwa s VAL 57 N 1.76 3.45 -0.15 2.63 1.01 -1.26 -0.89 120.40 126.95 2nwa s VAL 57 Ca -0.00 0.83 0.07 0.00 0.00 0.00 0.00 61.98 62.88 2nwa s VAL 57 Cb -0.12 -3.54 -0.23 0.00 0.00 0.00 0.00 36.38 32.49 2nwa s VAL 57 CO -0.03 -0.01 0.25 0.00 0.00 0.00 0.00 175.10 175.31 2nwa n GLN 58 N 5.66 0.68 -3.80 2.72 1.13 0.11 -2.29 117.38 121.59 2nwa n GLN 58 Ca 0.15 0.18 -0.12 0.00 -1.94 0.00 0.00 57.00 55.26 2nwa n GLN 58 Cb 0.42 -1.65 -0.10 0.00 0.11 0.00 0.00 30.24 29.03 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 -2.54 0.47 -0.02 -1.09 2.20 -0.82 -4.93 119.74 113.01 2nwa s LYS 59 Ca -0.17 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.41 2nwa s LYS 59 Cb 0.07 0.21 0.02 0.00 -1.51 0.00 0.00 37.83 36.63 2nwa s LYS 59 CO 0.77 -0.11 -0.00 -1.17 -0.36 0.00 0.00 175.35 174.48 2nwa s LEU 60 N -0.78 1.36 0.02 5.43 0.20 -1.26 -0.34 118.68 123.31 2nwa s LEU 60 Ca -0.09 -0.02 0.01 0.00 0.69 0.00 0.00 54.13 54.72 2nwa s LEU 60 Cb -0.05 -0.18 -0.02 0.00 -0.43 0.00 0.00 46.19 45.52 2nwa s LEU 60 CO 0.02 -0.07 -0.05 0.00 -0.29 0.00 0.00 176.35 175.96 2nwa s GLN 61 N 0.77 0.38 -0.07 1.98 -2.07 -0.89 -5.02 119.66 114.73 2nwa s GLN 61 Ca -0.07 -0.56 0.03 0.00 -1.82 0.00 0.00 55.36 52.94 2nwa s GLN 61 Cb -0.11 -0.12 -0.02 0.00 -1.09 0.00 0.00 33.01 31.67 2nwa s GLN 61 CO -0.01 0.01 -0.13 -1.58 -1.32 0.00 0.00 175.29 172.26 2nwa s TRP 62 N -1.12 2.75 -0.29 9.60 0.51 -1.26 -1.93 118.94 127.19 2nwa s TRP 62 Ca -0.10 -0.23 -0.16 0.00 -2.12 0.00 0.00 56.10 53.50 2nwa s TRP 62 Cb -0.08 -1.68 0.16 0.00 -0.81 0.00 0.00 33.47 31.06 2nwa s TRP 62 CO -0.00 0.13 1.00 -2.00 -0.51 0.00 0.00 176.95 175.57 2nwa s GLU 63 N -0.54 0.32 -1.01 4.98 2.12 -0.50 -5.02 118.70 119.05 2nwa s GLU 63 Ca 0.07 0.63 -0.14 0.00 0.36 0.00 0.00 54.97 55.90 2nwa s GLU 63 Cb -0.12 0.20 -0.00 0.00 0.26 0.00 0.00 34.13 34.47 2nwa s GLU 63 CO 0.01 -0.08 0.74 0.39 -0.54 0.00 0.00 175.26 175.78 2nwa n GLU 64 N 4.12 -1.27 -0.55 4.30 1.02 -1.26 -1.92 120.64 125.08 2nwa n GLU 64 Ca -0.15 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 2nwa n GLU 64 Cb 0.56 -4.01 0.00 0.00 -0.02 0.00 0.00 31.44 27.97 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 3.46 0.62 0.00 -1.26 -4.92 105.19 101.39 2nwa n GLY 65 Ca -0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.11 1.63 -0.04 1.61 0.52 -0.81 0.20 118.95 120.95 2nwa s ARG 66 Ca 0.00 -1.78 0.02 0.00 -0.52 0.00 0.00 55.73 53.46 2nwa s ARG 66 Cb 0.00 -1.56 0.01 0.00 0.52 0.00 0.00 34.95 33.91 2nwa s ARG 66 CO 0.00 0.23 -0.10 -0.08 0.02 0.00 0.00 175.30 175.36 2nwa s THR 67 N -2.68 0.95 -0.10 0.02 -1.32 0.22 -1.41 115.64 111.33 2nwa s THR 67 Ca 0.29 -0.41 0.03 0.00 -1.21 0.00 0.00 61.69 60.39 2nwa s THR 67 Cb -0.02 -0.86 0.01 0.00 -1.51 0.00 0.00 72.50 70.12 2nwa s THR 67 CO 0.13 0.30 -0.18 -0.51 -2.21 0.00 0.00 174.62 172.15 2nwa s ILE 68 N 0.45 1.68 0.14 5.08 2.07 -0.81 0.15 121.20 129.95 2nwa s ILE 68 Ca -0.09 -0.78 0.08 0.00 -1.41 0.00 0.00 60.65 58.46 2nwa s ILE 68 Cb -0.12 -1.49 -0.04 0.00 0.13 0.00 0.00 42.46 40.94 2nwa s ILE 68 CO 0.02 0.48 -0.11 0.27 -1.91 0.00 0.00 174.94 173.68 2nwa s ILE 69 N 0.65 3.21 -0.23 2.00 -4.36 0.21 -2.09 121.20 120.58 2nwa s ILE 69 Ca -0.13 -1.48 0.02 0.00 -0.26 0.00 0.00 60.65 58.80 2nwa s ILE 69 Cb -0.16 -2.54 0.04 0.00 1.25 0.00 0.00 42.46 41.05 2nwa s ILE 69 CO 0.04 0.01 -0.14 -0.89 0.24 0.00 0.00 174.94 174.19 2nwa s THR 70 N -1.43 2.17 0.22 8.37 2.01 0.54 -0.31 115.64 127.22 2nwa s THR 70 Ca 0.22 -1.35 0.11 0.00 0.31 0.00 0.00 61.69 60.98 2nwa s THR 70 Cb -0.10 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 2nwa s THR 70 CO 0.14 0.19 -0.22 -0.72 -0.69 0.00 0.00 174.62 173.32 2nwa s TYR 71 N 1.18 2.24 -0.32 4.92 -0.85 0.11 0.10 117.35 124.73 2nwa s TYR 71 Ca -0.03 -0.36 -0.09 0.00 -0.52 0.00 0.00 57.07 56.06 2nwa s TYR 71 Cb -0.17 -1.07 0.01 0.00 0.38 0.00 0.00 41.96 41.11 2nwa s TYR 71 CO -0.08 0.55 0.13 0.21 -1.52 0.00 0.00 175.55 174.84 2nwa s LYS 72 N -2.95 3.14 -0.29 -3.49 2.20 -0.07 0.33 119.74 118.60 2nwa s LYS 72 Ca 0.23 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 54.71 2nwa s LYS 72 Cb -0.07 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 32.72 2nwa s LYS 72 CO 0.11 -0.48 1.49 -1.17 -0.36 0.00 0.00 175.35 174.94 2nwa s LEU 73 N 1.56 3.79 0.00 5.43 2.96 0.12 -1.67 118.68 130.87 2nwa s LEU 73 Ca 0.03 1.30 0.24 0.00 -0.22 0.00 0.00 54.13 55.48 2nwa s LEU 73 Cb -0.18 -3.54 0.38 0.00 0.50 0.00 0.00 46.19 43.36 2nwa s LEU 73 CO 0.05 -1.28 1.33 0.35 -1.32 0.00 0.00 176.35 175.48 2nwa n THR 74 N 6.57 0.00 -3.64 3.68 -2.24 0.12 -4.91 114.28 113.86 2nwa n THR 74 Ca 0.17 -0.07 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 2nwa n THR 74 Cb 0.46 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 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 -2.77 -0.04 -0.03 3.42 1.04 -1.12 -4.94 113.70 109.25 2nwa s SER 75 Ca 0.16 0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.63 2nwa s SER 75 Cb 0.18 0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 2nwa s SER 75 CO 0.66 -0.04 -0.03 -0.76 0.98 0.00 0.00 173.24 174.04 2nwa s LEU 76 N -1.37 3.34 0.00 2.42 1.02 -1.26 -0.89 118.68 121.94 2nwa s LEU 76 Ca 0.10 -0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.22 2nwa s LEU 76 Cb -0.01 -1.85 0.00 0.00 0.02 0.00 0.00 46.19 44.36 2nwa s LEU 76 CO -0.06 0.32 0.00 1.57 0.02 0.00 0.00 176.35 178.20 2nwa n HIS 77 N 1.78 0.00 -1.42 0.29 -0.00 -0.86 -4.71 115.22 110.30 2nwa n HIS 77 Ca -0.16 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.63 2nwa n HIS 77 Cb 0.53 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.38 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 5.66 -4.55 0.26 7.64 -1.26 -4.91 113.62 116.46 2nwa n SER 78 Ca 0.00 -2.67 -0.36 0.00 1.01 0.00 0.00 58.87 56.84 2nwa n SER 78 Cb 0.00 -1.51 -0.04 0.00 -1.01 0.00 0.00 64.21 61.65 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 3.02 3.52 1.29 0.44 0.11 -1.26 -4.98 120.40 122.55 2nwa s VAL 79 Ca 0.56 -0.04 -0.18 0.00 -2.93 0.00 0.00 61.98 59.39 2nwa s VAL 79 Cb 0.15 -4.29 0.32 0.00 -1.53 0.00 0.00 36.38 31.03 2nwa s VAL 79 CO -0.05 -1.24 0.99 0.21 -3.33 0.00 0.00 175.10 171.68 2nwa s ASN 80 N 6.84 -0.00 0.00 3.54 2.47 -1.26 -5.22 114.94 121.30 2nwa s ASN 80 Ca 0.59 1.09 0.00 0.00 0.42 0.00 0.00 52.86 54.96 2nwa s ASN 80 Cb -0.08 -1.63 0.00 0.00 -1.45 0.00 0.00 41.25 38.08 2nwa s ASN 80 CO 0.10 -4.75 0.00 -0.11 -3.72 0.00 0.00 177.10 168.62