#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwa s ILE 2 N 0.00 1.69 -0.90 1.12 -1.09 -1.25 0.15 121.20 120.93 1jwa s ILE 2 Ca 0.00 -3.33 -0.25 0.00 -2.23 0.00 0.00 60.65 54.84 1jwa s ILE 2 Cb 0.00 -2.14 -0.07 0.00 -1.58 0.00 0.00 42.46 38.68 1jwa s ILE 2 CO 0.00 -1.06 2.03 -0.54 -1.23 0.00 0.00 174.94 174.15 1jwa s LYS 3 N -0.52 2.36 -0.54 2.79 -0.14 -1.03 -3.03 119.74 119.63 1jwa s LYS 3 Ca 0.26 -0.18 -0.25 0.00 -1.36 0.00 0.00 55.97 54.44 1jwa s LYS 3 Cb -0.06 -5.02 0.04 0.00 -1.68 0.00 0.00 37.83 31.11 1jwa s LYS 3 CO -0.14 -3.63 0.95 0.08 -0.76 0.00 0.00 175.35 171.86 1jwa s VAL 4 N 11.07 4.38 0.27 3.17 1.01 -0.86 -2.30 120.40 137.14 1jwa s VAL 4 Ca 0.74 0.40 -0.02 0.00 0.00 0.00 0.00 61.98 63.10 1jwa s VAL 4 Cb -0.08 -4.53 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 1jwa s VAL 4 CO 0.02 -1.08 0.49 -0.76 0.00 0.00 0.00 175.10 173.77 1jwa s LEU 5 N 3.97 4.11 -0.05 3.92 1.43 0.12 -1.10 118.68 131.10 1jwa s LEU 5 Ca 0.32 0.53 0.03 0.00 -1.03 0.00 0.00 54.13 53.98 1jwa s LEU 5 Cb -0.12 -3.34 0.01 0.00 0.03 0.00 0.00 46.19 42.77 1jwa s LEU 5 CO 0.21 -0.16 -0.13 -0.36 0.23 0.00 0.00 176.35 176.14 1jwa s PHE 6 N -2.05 1.37 0.13 0.29 0.40 0.23 -0.70 117.98 117.64 1jwa s PHE 6 Ca 0.41 -0.43 0.08 0.00 -0.60 0.00 0.00 56.93 56.39 1jwa s PHE 6 Cb -0.11 -0.97 -0.04 0.00 0.51 0.00 0.00 43.02 42.41 1jwa s PHE 6 CO 0.31 -0.19 -0.19 -0.06 0.70 0.00 0.00 175.22 175.78 1jwa s PHE 7 N 0.36 1.76 0.00 0.36 0.40 -1.10 -4.57 117.98 115.19 1jwa s PHE 7 Ca -0.08 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.80 1jwa s PHE 7 Cb -0.13 -0.93 0.00 0.00 0.51 0.00 0.00 43.02 42.47 1jwa s PHE 7 CO 0.02 0.24 0.00 0.00 0.70 0.00 0.00 175.22 176.19 1jwa n ALA 8 N 0.77 0.00 -0.27 5.36 0.00 -1.26 -2.60 120.51 122.51 1jwa n ALA 8 Ca -0.17 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.45 1jwa n ALA 8 Cb 0.55 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.48 1jwa n ALA 8 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1jwa h GLN 9 N 0.00 0.46 0.14 0.00 4.15 -1.98 -1.01 115.11 116.87 1jwa h GLN 9 Ca 0.00 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.40 1jwa h GLN 9 Cb 0.00 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 1jwa h GLN 9 CO 0.00 0.31 -0.15 0.28 -1.93 0.00 0.00 178.83 177.33 1jwa h VAL 10 N 0.48 0.65 -0.42 2.39 2.07 -1.80 -1.15 116.25 118.47 1jwa h VAL 10 Ca 0.49 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.99 1jwa h VAL 10 Cb 1.13 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1jwa h VAL 10 CO -0.21 0.00 0.18 -0.09 0.02 0.00 0.00 177.57 177.47 1jwa h ARG 11 N -0.33 0.59 0.01 1.57 2.43 -1.21 -2.40 114.38 115.04 1jwa h ARG 11 Ca 0.01 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1jwa h ARG 11 Cb 0.32 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 1jwa h ARG 11 CO -0.05 0.47 -0.17 0.93 -1.51 0.00 0.00 179.97 179.64 1jwa h GLU 12 N 0.59 -0.28 -0.25 0.20 4.39 -0.29 -0.91 114.58 118.04 1jwa h GLU 12 Ca 0.15 0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.76 1jwa h GLU 12 Cb 0.10 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1jwa h GLU 12 CO -0.02 -0.18 -0.28 -0.07 -1.16 0.00 0.00 179.01 177.30 1jwa h LEU 13 N -0.29 0.51 0.00 1.33 3.38 -0.78 -3.09 115.31 116.37 1jwa h LEU 13 Ca 0.05 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1jwa h LEU 13 Cb 0.35 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1jwa h LEU 13 CO -0.15 0.77 -0.48 1.33 0.09 0.00 0.00 178.44 179.99 1jwa n VAL 14 N -4.10 0.13 -0.92 1.22 0.24 -0.97 -4.87 118.33 109.06 1jwa n VAL 14 Ca -0.01 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1jwa n VAL 14 Cb 0.42 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 1jwa n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jwa n GLY 15 N 1.44 0.28 3.10 7.63 0.00 -0.36 -4.99 105.19 112.30 1jwa n GLY 15 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1jwa n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jwa s THR 16 N -1.68 0.58 -0.13 2.61 -4.23 -1.24 -5.06 115.64 106.49 1jwa s THR 16 Ca 0.00 -1.45 0.09 0.00 -1.18 0.00 0.00 61.69 59.15 1jwa s THR 16 Cb 0.00 -1.07 -0.23 0.00 1.34 0.00 0.00 72.50 72.54 1jwa s THR 16 CO 0.00 -0.61 0.34 -0.90 -0.54 0.00 0.00 174.62 172.91 1jwa n ASP 17 N 0.81 0.99 -3.82 3.99 5.75 -1.26 -4.67 116.55 118.33 1jwa n ASP 17 Ca -0.18 0.20 -0.09 0.00 -0.01 0.00 0.00 54.79 54.71 1jwa n ASP 17 Cb 0.57 0.04 -0.07 0.00 -1.03 0.00 0.00 41.12 40.64 1jwa n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jwa s ALA 18 N -2.55 -0.35 -0.29 2.12 0.00 -1.26 0.75 121.76 120.18 1jwa s ALA 18 Ca -0.13 -0.47 -0.14 0.00 0.00 0.00 0.00 51.96 51.22 1jwa s ALA 18 Cb 0.07 0.47 0.10 0.00 0.00 0.00 0.00 23.12 23.77 1jwa s ALA 18 CO 0.79 -0.50 0.72 -0.08 0.00 0.00 0.00 175.76 176.69 1jwa s THR 19 N -3.61 -0.32 0.07 0.00 -1.32 -0.25 -4.99 115.64 105.21 1jwa s THR 19 Ca 0.03 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.25 1jwa s THR 19 Cb 0.03 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.97 1jwa s THR 19 CO -0.10 0.00 0.78 -1.61 -2.21 0.00 0.00 174.62 171.49 1jwa s GLU 20 N 2.03 4.52 0.05 7.08 0.41 -1.26 -2.03 118.70 129.50 1jwa s GLU 20 Ca -0.08 1.11 0.03 0.00 -0.41 0.00 0.00 54.97 55.61 1jwa s GLU 20 Cb -0.07 -3.35 -0.03 0.00 -1.78 0.00 0.00 34.13 28.91 1jwa s GLU 20 CO -0.19 0.32 -0.09 0.08 -0.49 0.00 0.00 175.26 174.90 1jwa s VAL 21 N -0.23 0.62 0.16 2.63 1.01 -1.17 -4.97 120.40 118.45 1jwa s VAL 21 Ca 0.39 -1.15 -0.31 0.00 0.00 0.00 0.00 61.98 60.91 1jwa s VAL 21 Cb -0.21 -0.71 -0.10 0.00 0.00 0.00 0.00 36.38 35.36 1jwa s VAL 21 CO 0.24 -0.38 1.57 0.00 0.00 0.00 0.00 175.10 176.53 1jwa s ALA 22 N -1.46 3.77 0.06 5.51 0.00 -1.26 -3.78 121.76 124.59 1jwa s ALA 22 Ca -0.08 1.35 -0.35 0.00 0.00 0.00 0.00 51.96 52.88 1jwa s ALA 22 Cb -0.09 -3.63 -0.14 0.00 0.00 0.00 0.00 23.12 19.26 1jwa s ALA 22 CO 0.00 -0.81 1.63 0.00 0.00 0.00 0.00 175.76 176.58 1jwa n ALA 23 N 4.12 0.76 0.00 0.00 0.00 -1.26 -4.76 120.51 119.37 1jwa n ALA 23 Ca 0.14 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1jwa n ALA 23 Cb 0.39 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.50 1jwa n ALA 23 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jwa n ASP 24 N 4.22 0.00 -3.72 0.00 4.64 -1.26 -5.11 116.55 115.32 1jwa n ASP 24 Ca 0.19 0.00 -0.25 0.00 -1.38 0.00 0.00 54.79 53.35 1jwa n ASP 24 Cb 0.26 0.00 -0.17 0.00 -1.04 0.00 0.00 41.12 40.17 1jwa n ASP 24 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 1jwa s PHE 25 N 0.00 0.72 0.07 -0.67 0.40 -1.26 -4.92 117.98 112.31 1jwa s PHE 25 Ca 0.00 -0.48 -0.34 0.00 -0.60 0.00 0.00 56.93 55.50 1jwa s PHE 25 Cb 0.00 -0.87 -0.19 0.00 0.51 0.00 0.00 43.02 42.47 1jwa s PHE 25 CO 0.00 -0.48 1.60 -1.00 0.70 0.00 0.00 175.22 176.04 1jwa h PRO 26 N 8.31 -1.01 -6.24 0.24 0.13 -1.96 -3.37 132.00 128.10 1jwa h PRO 26 Ca -0.17 0.07 -0.47 0.00 -0.87 0.00 0.00 66.00 64.56 1jwa h PRO 26 Cb 1.13 0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1jwa h PRO 26 CO 0.29 -0.67 -0.41 0.95 -0.23 0.00 0.00 178.00 177.93 1jwa s THR 27 N -5.99 4.33 0.41 1.56 -4.23 -1.26 -1.79 115.64 108.67 1jwa s THR 27 Ca -0.18 -1.13 0.10 0.00 -1.18 0.00 0.00 61.69 59.30 1jwa s THR 27 Cb 0.03 -3.48 0.20 0.00 1.34 0.00 0.00 72.50 70.59 1jwa s THR 27 CO 0.61 -0.23 1.99 0.58 -0.54 0.00 0.00 174.62 177.02 1jwa h VAL 28 N 1.12 1.13 0.00 2.29 2.07 -1.67 0.16 116.25 121.36 1jwa h VAL 28 Ca -0.48 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 66.48 1jwa h VAL 28 Cb 1.25 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1jwa h VAL 28 CO 0.57 0.17 -0.23 -0.08 0.02 0.00 0.00 177.57 178.02 1jwa h GLU 29 N 0.27 0.00 0.19 1.57 4.57 -1.81 -1.77 114.58 117.60 1jwa h GLU 29 Ca 0.06 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1jwa h GLU 29 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1jwa h GLU 29 CO 0.01 0.23 -0.09 0.00 -1.18 0.00 0.00 179.01 177.97 1jwa h ALA 30 N 1.77 -0.26 -0.66 2.92 0.00 -1.26 -2.75 119.26 119.02 1jwa h ALA 30 Ca -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1jwa h ALA 30 Cb 0.48 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1jwa h ALA 30 CO 0.03 -0.59 0.28 1.25 0.00 0.00 0.00 179.25 180.22 1jwa h LEU 31 N -0.36 0.88 -1.04 0.00 5.85 -1.47 -3.02 115.31 116.15 1jwa h LEU 31 Ca -0.03 -0.11 0.20 0.00 0.84 0.00 0.00 57.88 58.78 1jwa h LEU 31 Cb 0.28 -0.23 -0.11 0.00 0.37 0.00 0.00 40.66 40.97 1jwa h LEU 31 CO 0.04 0.77 0.61 -0.09 -0.34 0.00 0.00 178.44 179.44 1jwa h ARG 32 N 0.95 0.69 0.23 1.25 1.12 -1.03 -2.48 114.38 115.11 1jwa h ARG 32 Ca 0.23 -0.04 -0.34 0.00 -1.11 0.00 0.00 59.98 58.71 1jwa h ARG 32 Cb 0.16 -0.16 0.03 0.00 -0.01 0.00 0.00 29.97 29.99 1jwa h ARG 32 CO -0.02 0.45 -1.57 1.96 -3.11 0.00 0.00 179.97 177.69 1jwa h GLN 33 N 0.71 0.49 0.50 0.20 1.08 -1.40 -2.92 115.11 113.77 1jwa h GLN 33 Ca 0.59 -0.84 -0.01 0.00 -1.45 0.00 0.00 58.65 56.93 1jwa h GLN 33 Cb 0.99 0.31 -0.02 0.00 -0.05 0.00 0.00 27.48 28.71 1jwa h GLN 33 CO -0.39 1.40 -0.47 1.25 -0.95 0.00 0.00 178.83 179.68 1jwa h HIS 34 N 0.13 -1.28 -0.88 2.96 2.76 -1.39 -0.48 115.15 116.98 1jwa h HIS 34 Ca -0.28 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 57.94 1jwa h HIS 34 Cb 2.15 0.49 -0.05 0.00 1.55 0.00 0.00 27.41 31.55 1jwa h HIS 34 CO 0.12 -0.64 0.58 0.52 -1.30 0.00 0.00 177.93 177.21 1jwa h MET 35 N -0.97 1.03 0.00 5.26 2.86 -1.61 -1.89 114.93 119.62 1jwa h MET 35 Ca -0.06 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1jwa h MET 35 Cb 0.84 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 1jwa h MET 35 CO -0.05 0.68 -0.10 0.00 1.06 0.00 0.00 176.91 178.51 1jwa h ALA 36 N 1.50 1.02 -0.00 6.32 0.00 -1.27 -2.88 119.26 123.95 1jwa h ALA 36 Ca 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1jwa h ALA 36 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jwa h ALA 36 CO -0.12 0.13 -0.03 0.00 0.00 0.00 0.00 179.25 179.23 1jwa n ALA 37 N -2.16 2.57 -0.11 0.00 0.00 -0.22 -2.51 120.51 118.08 1jwa n ALA 37 Ca 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 1jwa n ALA 37 Cb 0.36 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 1jwa n ALA 37 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1jwa h GLN 38 N 0.12 0.50 -2.65 0.00 4.20 -1.55 -3.48 115.11 112.25 1jwa h GLN 38 Ca 0.00 -0.07 0.12 0.00 0.06 0.00 0.00 58.65 58.76 1jwa h GLN 38 Cb 0.28 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.91 1jwa h GLN 38 CO 0.00 0.45 0.40 -1.54 -0.67 0.00 0.00 178.83 177.46 1jwa s SER 39 N -5.70 -0.15 0.29 1.46 1.04 -1.26 -4.98 113.70 104.41 1jwa s SER 39 Ca -0.13 -0.61 -0.02 0.00 0.48 0.00 0.00 55.95 55.66 1jwa s SER 39 Cb 0.10 0.61 0.41 0.00 0.10 0.00 0.00 66.02 67.23 1jwa s SER 39 CO 0.73 -1.16 1.91 0.44 0.98 0.00 0.00 173.24 176.14 1jwa h ASP 40 N 2.00 0.91 -0.50 7.02 5.19 -1.92 1.12 116.42 130.24 1jwa h ASP 40 Ca -0.24 -0.08 -0.11 0.00 -0.62 0.00 0.00 57.03 55.98 1jwa h ASP 40 Cb 1.24 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.50 1jwa h ASP 40 CO 0.28 0.74 -0.10 -0.09 -3.12 0.00 0.00 179.24 176.95 1jwa h ARG 41 N 1.02 0.97 -0.09 3.56 9.65 -1.95 -1.27 114.38 126.28 1jwa h ARG 41 Ca 0.26 -0.35 -0.21 0.00 -1.10 0.00 0.00 59.98 58.58 1jwa h ARG 41 Cb 0.04 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 1jwa h ARG 41 CO -0.04 1.02 -0.81 -1.49 2.80 0.00 0.00 179.97 181.45 1jwa h TRP 42 N 0.87 0.79 -0.43 2.20 4.06 -1.60 -1.14 115.95 120.71 1jwa h TRP 42 Ca 0.14 -0.37 0.05 0.00 2.06 0.00 0.00 58.89 60.77 1jwa h TRP 42 Cb 0.64 -0.11 -0.04 0.00 -1.00 0.00 0.00 29.16 28.65 1jwa h TRP 42 CO 0.04 1.17 0.17 0.00 -3.56 0.00 0.00 178.44 176.26 1jwa h ALA 43 N 0.72 0.52 -0.10 1.49 0.00 0.16 0.06 119.26 122.11 1jwa h ALA 43 Ca -0.05 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1jwa h ALA 43 Cb 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1jwa h ALA 43 CO 0.15 -0.21 -0.35 1.25 0.00 0.00 0.00 179.25 180.09 1jwa h LEU 44 N 0.35 0.47 -0.95 0.00 5.85 -1.21 -0.10 115.31 119.73 1jwa h LEU 44 Ca 0.19 -0.62 0.07 0.00 0.84 0.00 0.00 57.88 58.37 1jwa h LEU 44 Cb 0.16 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 1jwa h LEU 44 CO -0.18 1.01 0.60 0.00 -0.34 0.00 0.00 178.44 179.53 1jwa h ALA 45 N 0.47 1.33 -0.52 1.25 0.00 -1.02 -1.86 119.26 118.91 1jwa h ALA 45 Ca -0.02 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 1jwa h ALA 45 Cb 0.98 -0.26 -0.13 0.00 0.00 0.00 0.00 17.79 18.38 1jwa h ALA 45 CO 0.07 0.34 0.14 1.28 0.00 0.00 0.00 179.25 181.08 1jwa n LEU 46 N -4.57 4.92 -4.72 0.00 4.77 -0.01 -4.86 117.00 112.52 1jwa n LEU 46 Ca 0.15 -3.49 -0.42 0.00 -0.03 0.00 0.00 56.01 52.21 1jwa n LEU 46 Cb 0.21 -0.67 -0.02 0.00 -2.33 0.00 0.00 43.42 40.61 1jwa n LEU 46 CO 0.31 1.02 1.13 1.21 -1.33 0.00 0.00 177.39 179.73 1jwa n GLU 47 N -0.83 2.47 -1.98 3.23 2.13 -0.05 -4.90 120.64 120.71 1jwa n GLU 47 Ca 0.37 0.87 -0.38 0.00 0.66 0.00 0.00 57.16 58.69 1jwa n GLU 47 Cb 1.19 -2.60 0.02 0.00 0.27 0.00 0.00 31.44 30.32 1jwa n GLU 47 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1jwa s ASP 48 N 0.27 5.69 0.00 4.31 2.15 -1.26 -2.67 116.67 125.16 1jwa s ASP 48 Ca 0.63 2.59 0.00 0.00 0.43 0.00 0.00 52.55 56.20 1jwa s ASP 48 Cb -0.54 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.46 1jwa s ASP 48 CO 0.52 -1.27 0.00 0.61 -0.17 0.00 0.00 175.17 174.86 1jwa n GLY 49 N 0.61 2.67 1.65 2.66 0.00 -1.26 -4.80 105.19 106.72 1jwa n GLY 49 Ca 0.09 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 1jwa n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jwa n LYS 50 N 0.00 2.10 -4.04 1.61 5.02 -1.09 -5.00 118.16 116.77 1jwa n LYS 50 Ca 0.00 -3.18 -0.10 0.00 -2.02 0.00 0.00 58.31 53.01 1jwa n LYS 50 Cb 0.00 -1.99 -0.11 0.00 -0.02 0.00 0.00 35.03 32.91 1jwa n LYS 50 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1jwa s LEU 51 N -3.33 2.31 -0.03 -0.35 2.96 -1.24 -4.55 118.68 114.45 1jwa s LEU 51 Ca 0.51 -0.65 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 1jwa s LEU 51 Cb 0.44 0.04 0.00 0.00 0.50 0.00 0.00 46.19 47.17 1jwa s LEU 51 CO 0.04 -0.35 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.84 1jwa s LEU 52 N -1.89 1.81 -0.07 -0.68 1.43 -0.43 -4.84 118.68 114.01 1jwa s LEU 52 Ca -0.08 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1jwa s LEU 52 Cb -0.05 -0.70 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 1jwa s LEU 52 CO -0.03 0.09 -0.02 0.00 0.23 0.00 0.00 176.35 176.62 1jwa s ALA 53 N 0.18 3.19 -0.23 4.21 0.00 -1.26 -2.32 121.76 125.53 1jwa s ALA 53 Ca -0.04 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 1jwa s ALA 53 Cb -0.10 -1.38 0.07 0.00 0.00 0.00 0.00 23.12 21.71 1jwa s ALA 53 CO 0.01 0.59 0.03 0.00 0.00 0.00 0.00 175.76 176.40 1jwa s ALA 54 N -0.89 1.28 -0.52 0.00 0.00 -0.85 -2.96 121.76 117.82 1jwa s ALA 54 Ca 0.14 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 50.90 1jwa s ALA 54 Cb -0.11 -1.32 0.08 0.00 0.00 0.00 0.00 23.12 21.77 1jwa s ALA 54 CO 0.03 -1.29 0.54 0.08 0.00 0.00 0.00 175.76 175.12 1jwa s VAL 55 N 1.73 5.05 -1.06 0.00 1.01 0.11 -1.97 120.40 125.26 1jwa s VAL 55 Ca 0.01 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1jwa s VAL 55 Cb -0.17 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 1jwa s VAL 55 CO -0.12 -0.80 0.91 0.59 0.00 0.00 0.00 175.10 175.68 1jwa n ASN 56 N 5.70 -4.34 0.00 3.32 3.02 -0.56 -3.03 115.26 119.38 1jwa n ASN 56 Ca -0.10 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 1jwa n ASN 56 Cb 0.43 -4.94 0.00 0.00 -0.61 0.00 0.00 39.78 34.66 1jwa n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jwa n GLN 57 N -3.54 0.00 -4.80 3.52 1.13 -1.26 -5.00 117.38 107.43 1jwa n GLN 57 Ca -0.17 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.61 1jwa n GLN 57 Cb 0.64 -2.18 -0.14 0.00 0.11 0.00 0.00 30.24 28.67 1jwa n GLN 57 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1jwa s THR 58 N -3.37 1.95 0.44 5.09 2.01 -1.17 -5.12 115.64 115.47 1jwa s THR 58 Ca 0.00 -1.31 -0.22 0.00 0.31 0.00 0.00 61.69 60.47 1jwa s THR 58 Cb 0.00 -1.67 -0.09 0.00 0.01 0.00 0.00 72.50 70.75 1jwa s THR 58 CO 0.00 0.30 1.04 -0.76 -0.69 0.00 0.00 174.62 174.52 1jwa s LEU 59 N -1.21 3.99 0.07 4.42 1.43 -1.26 0.08 118.68 126.20 1jwa s LEU 59 Ca 0.10 1.98 -0.08 0.00 -1.03 0.00 0.00 54.13 55.10 1jwa s LEU 59 Cb -0.09 -4.38 -0.01 0.00 0.03 0.00 0.00 46.19 41.74 1jwa s LEU 59 CO 0.02 -0.64 0.16 0.68 0.23 0.00 0.00 176.35 176.80 1jwa s VAL 60 N -1.83 0.15 0.77 -1.59 -7.23 -1.16 -4.77 120.40 104.74 1jwa s VAL 60 Ca 0.63 -1.20 -0.12 0.00 -1.81 0.00 0.00 61.98 59.49 1jwa s VAL 60 Cb -0.19 -1.25 0.06 0.00 0.56 0.00 0.00 36.38 35.56 1jwa s VAL 60 CO 0.23 -0.66 1.11 -0.94 -0.31 0.00 0.00 175.10 174.54 1jwa s SER 61 N -2.67 4.35 0.00 4.85 1.04 -1.26 -4.57 113.70 115.43 1jwa s SER 61 Ca 0.03 1.96 0.00 0.00 0.48 0.00 0.00 55.95 58.41 1jwa s SER 61 Cb 0.04 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1jwa s SER 61 CO -0.09 -2.14 0.68 0.49 0.98 0.00 0.00 173.24 173.16 1jwa n PHE 62 N -3.35 0.00 0.00 5.02 0.99 -1.26 -2.09 117.46 116.77 1jwa n PHE 62 Ca 0.10 -0.34 0.00 0.00 -0.00 0.00 0.00 57.45 57.21 1jwa n PHE 62 Cb 0.52 -0.26 0.00 0.00 -1.00 0.00 0.00 39.48 38.75 1jwa n PHE 62 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1jwa n ASP 63 N 1.18 0.07 -2.99 4.37 8.00 -1.26 -2.41 116.55 123.52 1jwa n ASP 63 Ca 0.00 -0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 1jwa n ASP 63 Cb 0.24 0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.35 1jwa n ASP 63 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1jwa n HIS 64 N -0.02 -0.97 -2.49 1.24 -0.00 -0.89 -4.09 115.22 108.00 1jwa n HIS 64 Ca 0.00 0.53 -0.42 0.00 0.46 0.00 0.00 57.72 58.29 1jwa n HIS 64 Cb 0.00 -1.28 -0.03 0.00 -0.12 0.00 0.00 29.99 28.57 1jwa n HIS 64 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1jwa s PRO 65 N -0.69 4.37 -0.21 1.57 0.04 -1.26 -2.89 135.00 135.94 1jwa s PRO 65 Ca 0.42 1.64 -0.09 0.00 0.04 0.00 0.00 61.00 63.01 1jwa s PRO 65 Cb -0.53 -3.53 -0.05 0.00 0.04 0.00 0.00 34.50 30.43 1jwa s PRO 65 CO 0.41 -0.40 0.11 -0.51 0.04 0.00 0.00 177.00 176.65 1jwa s LEU 66 N 2.05 4.00 0.36 -3.56 1.43 -0.74 -5.00 118.68 117.22 1jwa s LEU 66 Ca 0.55 0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.81 1jwa s LEU 66 Cb -0.24 -2.04 -0.06 0.00 0.03 0.00 0.00 46.19 43.88 1jwa s LEU 66 CO 0.22 0.13 0.05 0.28 0.23 0.00 0.00 176.35 177.27 1jwa s THR 67 N 0.63 1.33 0.40 5.49 -1.32 -1.26 -4.70 115.64 116.21 1jwa s THR 67 Ca 0.06 -2.00 -0.26 0.00 -1.21 0.00 0.00 61.69 58.28 1jwa s THR 67 Cb -0.12 -2.78 -0.09 0.00 -1.51 0.00 0.00 72.50 68.00 1jwa s THR 67 CO 0.01 0.00 1.31 -0.62 -2.21 0.00 0.00 174.62 173.11 1jwa s ASP 68 N -3.56 6.32 0.00 8.08 2.15 -1.26 -2.70 116.67 125.69 1jwa s ASP 68 Ca 0.34 2.66 0.00 0.00 0.43 0.00 0.00 52.55 55.98 1jwa s ASP 68 Cb 0.08 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1jwa s ASP 68 CO 0.15 -0.85 0.00 0.61 -0.17 0.00 0.00 175.17 174.92 1jwa n GLY 69 N 0.67 2.47 3.75 2.66 0.00 0.40 -5.02 105.19 110.12 1jwa n GLY 69 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1jwa n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jwa s ASP 70 N -1.30 5.49 -0.31 1.61 1.01 -1.10 -4.79 116.67 117.28 1jwa s ASP 70 Ca 0.00 2.67 -0.00 0.00 0.71 0.00 0.00 52.55 55.93 1jwa s ASP 70 Cb 0.00 -2.63 0.07 0.00 1.01 0.00 0.00 42.92 41.37 1jwa s ASP 70 CO 0.00 -1.41 0.02 -0.70 0.21 0.00 0.00 175.17 173.29 1jwa s GLU 71 N -2.84 2.21 -0.18 8.23 2.12 -1.26 -2.46 118.70 124.52 1jwa s GLU 71 Ca 0.69 -1.44 -0.03 0.00 0.36 0.00 0.00 54.97 54.55 1jwa s GLU 71 Cb -0.38 -3.19 -0.02 0.00 0.26 0.00 0.00 34.13 30.80 1jwa s GLU 71 CO 0.45 -0.72 -0.05 0.08 -0.54 0.00 0.00 175.26 174.48 1jwa s VAL 72 N 1.16 3.53 -0.10 3.70 1.01 -0.97 -1.50 120.40 127.22 1jwa s VAL 72 Ca -0.02 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 1jwa s VAL 72 Cb -0.20 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1jwa s VAL 72 CO -0.03 0.46 -0.01 0.00 0.00 0.00 0.00 175.10 175.52 1jwa s ALA 73 N 0.85 3.19 -0.30 5.51 0.00 -0.83 0.16 121.76 130.35 1jwa s ALA 73 Ca -0.01 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1jwa s ALA 73 Cb -0.15 -1.49 0.07 0.00 0.00 0.00 0.00 23.12 21.55 1jwa s ALA 73 CO 0.01 0.48 -0.03 -0.06 0.00 0.00 0.00 175.76 176.16 1jwa s PHE 74 N -0.53 3.42 0.19 0.00 0.40 0.12 -2.02 117.98 119.56 1jwa s PHE 74 Ca 0.09 -2.44 0.09 0.00 -0.60 0.00 0.00 56.93 54.06 1jwa s PHE 74 Cb -0.12 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.07 1jwa s PHE 74 CO 0.02 -0.89 -0.17 -0.59 0.70 0.00 0.00 175.22 174.29 1jwa s PHE 75 N 1.07 1.82 0.68 0.36 -0.12 -0.98 -2.72 117.98 118.09 1jwa s PHE 75 Ca -0.02 -0.50 -0.09 0.00 -0.05 0.00 0.00 56.93 56.28 1jwa s PHE 75 Cb -0.20 -0.87 0.03 0.00 -0.63 0.00 0.00 43.02 41.35 1jwa s PHE 75 CO -0.05 0.38 1.03 -1.25 -0.05 0.00 0.00 175.22 175.27 1jwa s PRO 76 N -3.19 2.64 0.28 1.99 0.04 -1.26 -1.31 135.00 134.20 1jwa s PRO 76 Ca 0.20 0.13 -0.11 0.00 0.04 0.00 0.00 61.00 61.25 1jwa s PRO 76 Cb -0.04 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 1jwa s PRO 76 CO 0.07 -1.03 0.63 -1.25 0.04 0.00 0.00 177.00 175.47 1jwa s PRO 77 N -5.24 3.86 -0.11 0.56 0.05 -1.26 -4.81 135.00 128.05 1jwa s PRO 77 Ca 0.58 0.41 0.03 0.00 0.05 0.00 0.00 61.00 62.06 1jwa s PRO 77 Cb -0.11 -2.55 -0.00 0.00 0.05 0.00 0.00 34.50 31.89 1jwa s PRO 77 CO 0.48 0.22 -0.21 0.08 0.05 0.00 0.00 177.00 177.62 1jwa s VAL 78 N -1.94 2.32 -0.09 -0.36 1.01 -1.26 -5.07 120.40 115.01 1jwa s VAL 78 Ca 0.50 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 1jwa s VAL 78 Cb -0.11 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.39 1jwa s VAL 78 CO 0.21 0.55 0.22 0.42 0.00 0.00 0.00 175.10 176.51 1jwa s THR 79 N 0.33 -0.01 0.00 3.92 -4.23 -1.26 -5.12 115.64 109.27 1jwa s THR 79 Ca -0.16 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1jwa s THR 79 Cb -0.17 -0.32 0.00 0.00 1.34 0.00 0.00 72.50 73.34 1jwa s THR 79 CO 0.08 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1jwa n GLY 80 N 3.31 3.26 0.00 3.99 0.00 -1.26 -5.34 105.19 109.15 1jwa n GLY 80 Ca -0.16 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1jwa n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93