#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3juw s GLN 6 N 0.00 1.26 -0.01 -0.14 -2.07 -1.26 -5.05 119.66 112.39 3juw s GLN 6 Ca 0.00 -0.57 -0.30 0.00 -1.82 0.00 0.00 55.36 52.67 3juw s GLN 6 Cb 0.00 0.51 -0.04 0.00 -1.09 0.00 0.00 33.01 32.39 3juw s GLN 6 CO 0.00 -0.56 1.20 0.08 -1.32 0.00 0.00 175.29 174.69 3juw s VAL 7 N -3.55 4.17 0.22 3.63 1.01 -1.26 -4.60 120.40 120.01 3juw s VAL 7 Ca 0.06 1.52 0.06 0.00 0.00 0.00 0.00 61.98 63.62 3juw s VAL 7 Cb -0.02 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3juw s VAL 7 CO -0.05 0.04 0.21 -0.76 0.00 0.00 0.00 175.10 174.54 3juw s LEU 8 N 1.78 3.92 -0.02 3.92 1.43 -0.35 -4.96 118.68 124.39 3juw s LEU 8 Ca 0.57 -0.14 0.06 0.00 -1.03 0.00 0.00 54.13 53.59 3juw s LEU 8 Cb -0.27 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.46 3juw s LEU 8 CO 0.25 -0.00 -0.20 -0.54 0.23 0.00 0.00 176.35 176.09 3juw s LYS 9 N -3.59 1.72 0.38 1.70 1.02 -1.26 -0.66 119.74 119.04 3juw s LYS 9 Ca 0.33 -0.72 0.02 0.00 0.02 0.00 0.00 55.97 55.61 3juw s LYS 9 Cb -0.09 -1.62 -0.01 0.00 -0.52 0.00 0.00 37.83 35.60 3juw s LYS 9 CO 0.25 0.41 0.06 0.25 -0.92 0.00 0.00 175.35 175.40 3juw n THR 10 N 2.68 0.00 -0.25 2.17 -2.24 0.90 -4.99 114.28 112.56 3juw n THR 10 Ca -0.16 -1.98 0.05 0.00 -2.27 0.00 0.00 64.05 59.70 3juw n THR 10 Cb 0.53 0.56 0.17 0.00 -2.10 0.00 0.00 70.33 69.49 3juw n THR 10 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3juw h ASP 11 N 1.19 -0.13 -0.00 3.42 3.32 -2.01 -3.18 116.42 119.03 3juw h ASP 11 Ca -0.31 0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3juw h ASP 11 Cb 1.03 0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3juw h ASP 11 CO 0.50 -0.10 -0.19 0.54 -1.72 0.00 0.00 179.24 178.27 3juw n ARG 12 N -5.23 4.46 -4.33 3.56 1.74 -1.26 -5.04 116.66 110.55 3juw n ARG 12 Ca 0.14 -0.14 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 3juw n ARG 12 Cb 0.47 -0.79 -0.13 0.00 -1.02 0.00 0.00 32.46 30.99 3juw n ARG 12 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3juw s LEU 13 N -1.93 2.24 -0.24 0.55 1.43 -1.20 -4.23 118.68 115.30 3juw s LEU 13 Ca 0.03 -0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 52.45 3juw s LEU 13 Cb 0.04 -0.72 -0.05 0.00 0.03 0.00 0.00 46.19 45.49 3juw s LEU 13 CO 0.17 0.03 0.14 -0.69 0.23 0.00 0.00 176.35 176.24 3juw s VAL 14 N -1.05 5.19 -0.36 -1.59 1.01 -0.82 -0.07 120.40 122.71 3juw s VAL 14 Ca 0.03 0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 3juw s VAL 14 Cb -0.09 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.89 3juw s VAL 14 CO 0.03 0.34 0.19 -0.76 0.00 0.00 0.00 175.10 174.90 3juw s LEU 15 N 1.13 4.54 -0.16 3.92 1.43 0.17 -0.27 118.68 129.43 3juw s LEU 15 Ca 0.07 -0.88 0.01 0.00 -1.03 0.00 0.00 54.13 52.29 3juw s LEU 15 Cb -0.14 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.08 3juw s LEU 15 CO 0.05 -0.33 -0.18 -0.70 0.23 0.00 0.00 176.35 175.41 3juw s GLU 16 N 1.56 3.10 -0.04 1.70 2.12 -0.47 -1.21 118.70 125.45 3juw s GLU 16 Ca 0.02 -0.80 -0.39 0.00 0.36 0.00 0.00 54.97 54.17 3juw s GLU 16 Cb -0.19 -2.57 -0.17 0.00 0.26 0.00 0.00 34.13 31.46 3juw s GLU 16 CO 0.06 -0.06 1.39 -2.30 -0.54 0.00 0.00 175.26 173.81 3juw n PRO 17 N 4.24 0.86 -1.96 4.30 -0.02 -1.26 0.23 135.00 141.40 3juw n PRO 17 Ca -0.20 0.31 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 3juw n PRO 17 Cb 0.51 -1.93 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 3juw n PRO 17 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3juw s GLN 18 N 1.16 4.22 0.00 -0.52 -0.21 -0.32 -4.76 119.66 119.23 3juw s GLN 18 Ca 0.90 2.33 0.00 0.00 0.02 0.00 0.00 55.36 58.61 3juw s GLN 18 Cb -1.07 -3.21 0.00 0.00 1.00 0.00 0.00 33.01 29.73 3juw s GLN 18 CO 0.55 -0.61 0.00 -1.13 -2.12 0.00 0.00 175.29 171.98 3juw n SER 19 N 4.15 0.00 0.00 5.90 3.41 -1.26 -4.43 113.62 121.39 3juw n SER 19 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 3juw n SER 19 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3juw n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3juw n ALA 21 N -3.00 0.00 -0.20 7.33 0.00 -1.26 -4.46 120.51 118.92 3juw n ALA 21 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3juw n ALA 21 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 3juw n ALA 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3juw n ARG 22 N 0.00 2.49 -0.03 0.00 1.74 -1.26 -4.74 116.66 114.86 3juw n ARG 22 Ca 0.00 -1.79 -0.09 0.00 -0.77 0.00 0.00 57.85 55.20 3juw n ARG 22 Cb 0.00 -1.81 -0.03 0.00 -1.02 0.00 0.00 32.46 29.60 3juw n ARG 22 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3juw h PHE 23 N 1.44 -0.77 -0.53 -1.55 3.57 -1.99 -0.28 116.94 116.83 3juw h PHE 23 Ca 0.19 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 3juw h PHE 23 Cb 1.73 0.37 -0.03 0.00 2.79 0.00 0.00 35.95 40.81 3juw h PHE 23 CO 0.79 -0.36 0.31 -0.44 -2.23 0.00 0.00 178.31 176.37 3juw h ASP 24 N -0.32 0.63 -0.12 0.41 3.32 -1.99 0.63 116.42 118.99 3juw h ASP 24 Ca 0.12 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 3juw h ASP 24 Cb 0.50 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 3juw h ASP 24 CO -0.38 0.50 -0.14 -0.61 -1.72 0.00 0.00 179.24 176.89 3juw h GLN 25 N 0.73 0.30 -0.44 3.56 4.15 -1.75 -1.48 115.11 120.18 3juw h GLN 25 Ca 0.19 -0.17 -0.13 0.00 0.77 0.00 0.00 58.65 59.31 3juw h GLN 25 Cb -0.01 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3juw h GLN 25 CO -0.03 0.73 -0.23 2.35 -1.93 0.00 0.00 178.83 179.71 3juw h TRP 26 N -0.10 1.05 -0.86 3.99 7.01 -0.26 -3.13 115.95 123.65 3juw h TRP 26 Ca 0.02 -0.26 -0.01 0.00 2.11 0.00 0.00 58.89 60.75 3juw h TRP 26 Cb 0.68 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 27.45 3juw h TRP 26 CO 0.09 1.05 0.48 0.35 -2.79 0.00 0.00 178.44 177.62 3juw h PHE 27 N 0.79 1.17 0.00 2.65 3.57 0.31 -1.17 116.94 124.26 3juw h PHE 27 Ca 0.10 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3juw h PHE 27 Cb 0.79 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.16 3juw h PHE 27 CO 0.05 0.81 0.00 0.00 -2.23 0.00 0.00 178.31 176.93 3juw n ALA 28 N -2.39 1.65 0.00 2.41 0.00 -0.57 -1.43 120.51 120.19 3juw n ALA 28 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3juw n ALA 28 Cb 0.09 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3juw n ALA 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3juw n GLU 30 N 0.77 0.00 0.17 0.00 -0.58 -0.44 -2.49 120.64 118.06 3juw n GLU 30 Ca 0.00 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 3juw n GLU 30 Cb 0.10 0.00 0.43 0.00 -0.57 0.00 0.00 31.44 31.40 3juw n GLU 30 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3juw h ARG 31 N 0.00 0.12 -0.09 3.49 9.65 -1.40 -2.33 114.38 123.83 3juw h ARG 31 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3juw h ARG 31 Cb 0.00 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 3juw h ARG 31 CO 0.00 0.30 0.00 1.04 2.80 0.00 0.00 179.97 184.11 3juw n GLN 32 N -4.27 1.65 -3.07 0.20 6.02 -1.04 -4.45 117.38 112.42 3juw n GLN 32 Ca -0.02 -0.97 -0.43 0.00 -0.01 0.00 0.00 57.00 55.58 3juw n GLN 32 Cb 0.27 -1.44 -0.06 0.00 1.02 0.00 0.00 30.24 30.04 3juw n GLN 32 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3juw s ARG 33 N -1.90 3.20 -1.21 -1.09 3.52 -0.88 -4.57 118.95 116.02 3juw s ARG 33 Ca 0.35 -0.65 -0.20 0.00 -0.13 0.00 0.00 55.73 55.11 3juw s ARG 33 Cb 0.19 -4.06 0.03 0.00 -1.56 0.00 0.00 34.95 29.55 3juw s ARG 33 CO 0.30 -1.26 1.74 0.34 -0.81 0.00 0.00 175.30 175.61 3juw s ASP 34 N 2.62 6.31 -0.28 -2.12 2.15 -1.26 -2.83 116.67 121.26 3juw s ASP 34 Ca 0.20 -2.02 -0.21 0.00 0.43 0.00 0.00 52.55 50.95 3juw s ASP 34 Cb -0.17 -2.58 0.09 0.00 -0.30 0.00 0.00 42.92 39.97 3juw s ASP 34 CO 0.15 -1.71 0.80 -0.70 -0.17 0.00 0.00 175.17 173.54 3juw s GLU 35 N 4.98 0.69 -0.07 4.34 2.12 -1.26 -5.01 118.70 124.48 3juw s GLU 35 Ca 0.57 0.95 -0.38 0.00 0.36 0.00 0.00 54.97 56.46 3juw s GLU 35 Cb 0.02 0.26 -0.16 0.00 0.26 0.00 0.00 34.13 34.51 3juw s GLU 35 CO 0.06 -0.10 1.52 0.00 -0.54 0.00 0.00 175.26 176.19 3juw n ALA 36 N 3.17 -0.62 0.00 6.30 0.00 -1.26 -1.69 120.51 126.41 3juw n ALA 36 Ca -0.16 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3juw n ALA 36 Cb 0.57 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.87 3juw n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3juw n GLY 37 N 3.27 0.42 1.64 0.00 0.00 -1.26 -4.86 105.19 104.40 3juw n GLY 37 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3juw n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3juw n HIS 38 N -1.76 -1.13 0.12 1.61 -0.00 -0.68 -4.71 115.22 108.67 3juw n HIS 38 Ca 0.00 0.20 0.16 0.00 -0.00 0.00 0.00 57.72 58.08 3juw n HIS 38 Cb 0.00 0.36 0.71 0.00 -0.00 0.00 0.00 29.99 31.05 3juw n HIS 38 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 3juw h ARG 39 N 0.00 0.00 -0.44 -0.41 0.11 -1.20 -2.85 114.38 109.59 3juw h ARG 39 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3juw h ARG 39 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3juw h ARG 39 CO 0.00 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 179.67 3juw n ASP 40 N -4.29 3.63 -4.76 0.08 5.75 -1.26 -4.85 116.55 110.84 3juw n ASP 40 Ca 0.04 -2.30 -0.41 0.00 -0.01 0.00 0.00 54.79 52.12 3juw n ASP 40 Cb 0.39 -0.40 -0.02 0.00 -1.03 0.00 0.00 41.12 40.06 3juw n ASP 40 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3juw s LEU 41 N -1.54 4.41 0.75 -2.12 1.43 -1.08 -4.99 118.68 115.54 3juw s LEU 41 Ca 0.36 2.70 -0.11 0.00 -1.03 0.00 0.00 54.13 56.04 3juw s LEU 41 Cb 0.22 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.84 3juw s LEU 41 CO 0.18 -0.60 1.10 0.42 0.23 0.00 0.00 176.35 177.68 3juw s THR 42 N -0.82 3.29 0.23 5.49 -4.23 -1.26 -4.91 115.64 113.43 3juw s THR 42 Ca 0.52 0.42 -0.07 0.00 -1.18 0.00 0.00 61.69 61.38 3juw s THR 42 Cb -0.41 -3.29 0.20 0.00 1.34 0.00 0.00 72.50 70.35 3juw s THR 42 CO 0.51 -0.55 1.85 -0.08 -0.54 0.00 0.00 174.62 175.81 3juw h GLU 43 N -0.87 1.26 -0.47 3.99 4.81 -1.99 -1.05 114.58 120.26 3juw h GLU 43 Ca -0.46 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 58.54 3juw h GLU 43 Cb 1.26 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 3juw h GLU 43 CO 0.62 0.93 -0.00 0.22 -0.73 0.00 0.00 179.01 180.04 3juw h ASP 44 N 1.26 0.76 -0.38 1.04 3.58 -1.99 0.11 116.42 120.80 3juw h ASP 44 Ca 0.31 -0.18 -0.09 0.00 0.42 0.00 0.00 57.03 57.49 3juw h ASP 44 Cb 0.05 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 3juw h ASP 44 CO -0.05 0.83 -0.11 1.56 -2.88 0.00 0.00 179.24 178.59 3juw h GLN 45 N 0.74 0.75 -0.09 0.28 4.20 -1.86 -1.07 115.11 118.06 3juw h GLN 45 Ca 0.14 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 3juw h GLN 45 Cb 0.45 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 3juw h GLN 45 CO 0.02 0.90 0.05 0.00 -0.67 0.00 0.00 178.83 179.13 3juw h ALA 46 N 0.83 0.11 -0.74 3.87 0.00 -1.06 -0.80 119.26 121.46 3juw h ALA 46 Ca 0.10 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.05 3juw h ALA 46 Cb 0.63 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 3juw h ALA 46 CO 0.04 -0.38 0.43 2.35 0.00 0.00 0.00 179.25 181.68 3juw h TRP 47 N 0.09 0.78 0.00 0.00 2.91 -0.81 -1.09 115.95 117.84 3juw h TRP 47 Ca 0.03 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 59.99 3juw h TRP 47 Cb 0.02 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.42 3juw h TRP 47 CO -0.06 0.37 -0.43 -0.07 -1.03 0.00 0.00 178.44 177.21 3juw h LEU 48 N 0.77 0.00 -0.14 0.65 3.38 -0.95 0.92 115.31 119.94 3juw h LEU 48 Ca 0.34 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.26 3juw h LEU 48 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3juw h LEU 48 CO -0.20 0.43 -0.12 -0.09 0.09 0.00 0.00 178.44 178.56 3juw h ARG 49 N 0.00 0.32 -0.95 1.13 2.43 0.04 -2.04 114.38 115.31 3juw h ARG 49 Ca -0.00 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3juw h ARG 49 Cb 0.96 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.46 3juw h ARG 49 CO 0.06 0.70 0.58 1.25 -1.51 0.00 0.00 179.97 181.04 3juw h LEU 50 N -0.05 1.14 -0.89 3.80 5.85 -1.10 -1.60 115.31 122.46 3juw h LEU 50 Ca 0.02 -0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.80 3juw h LEU 50 Cb 0.63 -0.29 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 3juw h LEU 50 CO 0.03 0.87 0.51 0.00 -0.34 0.00 0.00 178.44 179.51 3juw h ALA 52 N 1.52 0.91 -0.73 0.00 0.00 -0.69 -1.20 119.26 119.06 3juw h ALA 52 Ca 0.45 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3juw h ALA 52 Cb 0.52 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3juw h ALA 52 CO -0.30 0.63 0.38 0.00 0.00 0.00 0.00 179.25 179.97 3juw h ARG 53 N 0.42 1.04 -0.08 0.00 2.47 -0.70 -2.74 114.38 114.79 3juw h ARG 53 Ca 0.04 -0.13 -0.16 0.00 -1.26 0.00 0.00 59.98 58.46 3juw h ARG 53 Cb 0.87 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 3juw h ARG 53 CO 0.07 0.79 -0.66 0.37 0.56 0.00 0.00 179.97 181.11 3juw h GLN 54 N 1.02 0.32 -1.58 0.04 4.15 -1.08 -3.08 115.11 114.90 3juw h GLN 54 Ca 0.26 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3juw h GLN 54 Cb 0.07 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.80 3juw h GLN 54 CO -0.04 0.87 0.00 0.41 -1.93 0.00 0.00 178.83 178.14 3juw n GLY 55 N 0.40 0.43 1.35 2.39 0.00 -0.48 -1.67 105.19 107.62 3juw n GLY 55 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3juw n GLY 55 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3juw n TRP 57 N 0.83 0.00 -0.06 1.61 7.02 -1.16 -1.25 117.44 124.42 3juw n TRP 57 Ca 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.41 3juw n TRP 57 Cb 0.11 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 28.98 3juw n TRP 57 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 3juw h ASP 58 N 0.00 -0.19 0.69 -0.99 3.58 -1.63 -0.34 116.42 117.54 3juw h ASP 58 Ca 0.00 0.07 -0.20 0.00 0.42 0.00 0.00 57.03 57.32 3juw h ASP 58 Cb 0.00 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 3juw h ASP 58 CO 0.00 -0.06 -0.90 0.00 -2.88 0.00 0.00 179.24 175.40 3juw h ALA 59 N 1.24 0.51 0.00 -0.78 0.00 -1.47 -3.39 119.26 115.37 3juw h ALA 59 Ca 0.12 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3juw h ALA 59 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3juw h ALA 59 CO -0.24 0.98 -0.03 0.66 0.00 0.00 0.00 179.25 180.62 3juw n TYR 60 N -3.60 0.00 -2.95 0.00 4.01 -1.23 -5.00 117.16 108.39 3juw n TYR 60 Ca -0.03 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.49 3juw n TYR 60 Cb 0.83 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.89 3juw n TYR 60 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3juw n ALA 61 N -0.67 -0.92 -3.46 -0.72 0.00 -0.14 -4.95 120.51 109.65 3juw n ALA 61 Ca 0.00 0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.58 3juw n ALA 61 Cb 0.00 -3.71 -0.09 0.00 0.00 0.00 0.00 19.45 15.66 3juw n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3juw n GLY 63 N 2.81 -0.72 3.89 0.00 0.00 -1.26 -3.41 105.19 106.50 3juw n GLY 63 Ca -0.14 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 3juw n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3juw s PHE 64 N -3.73 3.50 0.06 1.61 0.40 -1.20 -1.52 117.98 117.10 3juw s PHE 64 Ca 0.00 0.61 0.08 0.00 -0.60 0.00 0.00 56.93 57.02 3juw s PHE 64 Cb 0.00 -2.04 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 3juw s PHE 64 CO 0.00 0.46 -0.20 0.71 0.70 0.00 0.00 175.22 176.89 3juw s TYR 65 N -1.57 2.49 0.26 0.36 1.51 0.25 -1.18 117.35 119.48 3juw s TYR 65 Ca 0.38 -0.29 -0.28 0.00 -1.01 0.00 0.00 57.07 55.87 3juw s TYR 65 Cb -0.13 -1.41 -0.09 0.00 -0.11 0.00 0.00 41.96 40.22 3juw s TYR 65 CO 0.22 0.26 0.93 0.71 -1.11 0.00 0.00 175.55 176.57 3juw s TYR 66 N -0.96 3.88 -0.39 2.71 2.02 0.14 -1.50 117.35 123.25 3juw s TYR 66 Ca 0.15 1.85 -0.12 0.00 -0.37 0.00 0.00 57.07 58.57 3juw s TYR 66 Cb -0.10 -2.94 0.02 0.00 -0.40 0.00 0.00 41.96 38.54 3juw s TYR 66 CO 0.06 0.38 0.24 -0.51 -1.57 0.00 0.00 175.55 174.15 3juw s LEU 67 N -1.49 4.86 -0.01 -1.29 1.02 -0.39 -1.37 118.68 120.00 3juw s LEU 67 Ca 0.44 -0.96 0.03 0.00 0.02 0.00 0.00 54.13 53.66 3juw s LEU 67 Cb -0.23 -2.07 -0.03 0.00 0.02 0.00 0.00 46.19 43.87 3juw s LEU 67 CO 0.29 -0.41 -0.06 -0.76 0.02 0.00 0.00 176.35 175.43 3juw s LEU 68 N 1.60 3.19 0.12 1.79 1.43 0.63 0.40 118.68 127.84 3juw s LEU 68 Ca 0.03 -0.11 -0.31 0.00 -1.03 0.00 0.00 54.13 52.71 3juw s LEU 68 Cb -0.19 -1.80 -0.09 0.00 0.03 0.00 0.00 46.19 44.14 3juw s LEU 68 CO 0.08 0.30 1.52 -0.62 0.23 0.00 0.00 176.35 177.86 3juw s ASP 69 N -1.30 6.68 0.09 2.29 -1.08 0.14 -1.95 116.67 121.54 3juw s ASP 69 Ca 0.16 2.47 -0.27 0.00 -0.52 0.00 0.00 52.55 54.39 3juw s ASP 69 Cb -0.11 -2.58 -0.14 0.00 -1.46 0.00 0.00 42.92 38.62 3juw s ASP 69 CO 0.06 -0.78 1.68 -0.65 0.52 0.00 0.00 175.17 176.00 3juw h PRO 70 N 7.22 -0.39 0.38 4.34 0.11 -1.90 -1.22 132.00 140.54 3juw h PRO 70 Ca -0.42 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 3juw h PRO 70 Cb 1.20 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3juw h PRO 70 CO 0.90 -0.26 -0.18 0.28 -0.21 0.00 0.00 178.00 178.53 3juw h VAL 71 N -0.41 0.58 0.00 3.15 2.07 -1.93 -3.37 116.25 116.34 3juw h VAL 71 Ca -0.02 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3juw h VAL 71 Cb 0.34 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3juw h VAL 71 CO 0.02 0.09 -1.25 -1.54 0.02 0.00 0.00 177.57 174.91 3juw n SER 72 N -5.19 0.63 0.00 0.57 3.41 -1.25 -4.95 113.62 106.83 3juw n SER 72 Ca -0.10 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 3juw n SER 72 Cb 0.28 0.85 0.00 0.00 -0.26 0.00 0.00 64.21 65.08 3juw n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3juw n GLY 73 N 1.21 1.09 0.00 5.00 0.00 -0.46 -4.98 105.19 107.06 3juw n GLY 73 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3juw n GLY 73 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3juw n GLU 74 N -2.00 3.17 0.00 1.61 2.13 -1.26 -4.54 120.64 119.75 3juw n GLU 74 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3juw n GLU 74 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3juw n GLU 74 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3juw n ARG 76 N 0.00 0.00 -2.01 5.31 1.74 0.16 0.24 116.66 122.11 3juw n ARG 76 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3juw n ARG 76 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3juw n ARG 76 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3juw n GLY 77 N 0.00 0.08 3.31 -0.13 0.00 -1.22 -2.05 105.19 105.18 3juw n GLY 77 Ca 0.00 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 3juw n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3juw s GLU 78 N -2.00 0.93 0.02 1.61 -1.05 -0.24 -1.27 118.70 116.71 3juw s GLU 78 Ca 0.00 -0.46 -0.28 0.00 -0.15 0.00 0.00 54.97 54.08 3juw s GLU 78 Cb 0.00 0.41 0.10 0.00 -0.44 0.00 0.00 34.13 34.20 3juw s GLU 78 CO 0.00 -0.33 0.96 0.00 0.95 0.00 0.00 175.26 176.85 3juw s ALA 79 N -2.76 -1.82 0.00 -0.84 0.00 -0.56 -0.85 121.76 114.92 3juw s ALA 79 Ca -0.04 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.71 3juw s ALA 79 Cb -0.00 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.55 3juw s ALA 79 CO -0.04 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.32 3juw n GLY 80 N -0.31 0.50 3.25 0.00 0.00 -0.62 0.88 105.19 108.89 3juw n GLY 80 Ca -0.07 -1.23 -0.27 0.00 0.00 0.00 0.00 46.02 44.45 3juw n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3juw s PHE 81 N -3.06 1.91 0.19 1.61 0.08 -0.58 -1.14 117.98 116.99 3juw s PHE 81 Ca 0.00 -0.37 -0.00 0.00 0.12 0.00 0.00 56.93 56.67 3juw s PHE 81 Cb 0.00 -1.18 -0.04 0.00 -0.57 0.00 0.00 43.02 41.23 3juw s PHE 81 CO 0.00 0.04 0.09 1.14 -0.10 0.00 0.00 175.22 176.40 3juw s GLN 82 N -0.90 1.15 -0.20 0.44 -2.07 0.16 -3.24 119.66 115.00 3juw s GLN 82 Ca 0.08 -1.59 0.00 0.00 -1.82 0.00 0.00 55.36 52.03 3juw s GLN 82 Cb -0.09 0.12 0.05 0.00 -1.09 0.00 0.00 33.01 32.00 3juw s GLN 82 CO 0.01 -0.31 -0.06 -0.06 -1.32 0.00 0.00 175.29 173.54 3juw s PHE 83 N -4.01 2.06 0.18 9.60 0.40 -1.26 -0.62 117.98 124.32 3juw s PHE 83 Ca 0.33 -1.41 0.06 0.00 -0.60 0.00 0.00 56.93 55.32 3juw s PHE 83 Cb 0.07 -1.46 -0.05 0.00 0.51 0.00 0.00 43.02 42.09 3juw s PHE 83 CO 0.09 -0.70 -0.13 1.03 0.70 0.00 0.00 175.22 176.21 3juw s ARG 84 N 1.51 1.20 -0.52 0.44 1.81 -1.26 -4.94 118.95 117.19 3juw s ARG 84 Ca -0.02 -1.52 0.07 0.00 -1.72 0.00 0.00 55.73 52.54 3juw s ARG 84 Cb -0.17 -0.90 0.30 0.00 -0.45 0.00 0.00 34.95 33.73 3juw s ARG 84 CO -0.07 0.14 0.76 0.54 -0.68 0.00 0.00 175.30 175.99 3juw n ARG 85 N -0.28 2.12 0.06 3.54 1.74 -1.26 -1.42 116.66 121.16 3juw n ARG 85 Ca -0.09 -4.22 0.12 0.00 -0.77 0.00 0.00 57.85 52.88 3juw n ARG 85 Cb 0.60 -1.95 0.46 0.00 -1.02 0.00 0.00 32.46 30.55 3juw n ARG 85 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3juw n ARG 86 N 0.52 0.12 -0.13 5.56 1.74 -1.26 -4.91 116.66 118.30 3juw n ARG 86 Ca 0.28 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 3juw n ARG 86 Cb 0.47 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 3juw n ARG 86 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3juw n GLY 87 N 0.75 1.24 1.64 -0.13 0.00 -1.26 -4.99 105.19 102.45 3juw n GLY 87 Ca 0.05 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 3juw n GLY 87 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3juw n PHE 88 N -1.82 1.73 -0.01 1.61 3.72 -1.26 -5.03 117.46 116.40 3juw n PHE 88 Ca 0.00 -1.02 0.00 0.00 -0.05 0.00 0.00 57.45 56.38 3juw n PHE 88 Cb 0.02 -0.57 -0.00 0.00 -0.94 0.00 0.00 39.48 37.98 3juw n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3juw n GLY 89 N -0.19 -1.73 0.31 1.37 0.00 -1.26 -4.42 105.19 99.26 3juw n GLY 89 Ca 0.31 -1.51 0.19 0.00 0.00 0.00 0.00 46.02 45.01 3juw n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3juw h PRO 90 N -0.01 0.00 -0.01 1.61 0.13 -1.96 -1.15 132.00 130.61 3juw h PRO 90 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3juw h PRO 90 Cb 0.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.14 3juw h PRO 90 CO 0.00 0.02 -0.12 0.41 -0.23 0.00 0.00 178.00 178.08 3juw n GLY 91 N -0.67 -0.47 1.41 1.56 0.00 -1.26 -4.56 105.19 101.19 3juw n GLY 91 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3juw n GLY 91 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3juw n PHE 92 N -0.42 0.00 -1.88 1.61 7.35 -0.93 -4.97 117.46 118.22 3juw n PHE 92 Ca 0.16 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.47 3juw n PHE 92 Cb 0.32 0.24 0.04 0.00 0.35 0.00 0.00 39.48 40.43 3juw n PHE 92 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3juw s ASP 93 N -4.89 5.20 -1.27 -2.13 1.11 -0.48 -3.04 116.67 111.17 3juw s ASP 93 Ca 0.00 2.59 -0.08 0.00 0.18 0.00 0.00 52.55 55.24 3juw s ASP 93 Cb 0.00 -2.62 0.06 0.00 1.07 0.00 0.00 42.92 41.43 3juw s ASP 93 CO 0.00 -1.60 0.46 -3.20 1.18 0.00 0.00 175.17 172.00 3juw n ASN 94 N -1.30 -3.80 -4.52 0.27 5.15 -0.51 -4.83 115.26 105.72 3juw n ASN 94 Ca 0.12 -0.34 -0.30 0.00 -0.60 0.00 0.00 54.58 53.46 3juw n ASN 94 Cb 0.47 -3.15 -0.11 0.00 -0.53 0.00 0.00 39.78 36.46 3juw n ASN 94 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3juw s HIS 95 N -2.91 2.64 -0.24 1.20 3.76 -1.17 -4.99 115.29 113.58 3juw s HIS 95 Ca 0.36 -0.20 -0.36 0.00 -0.15 0.00 0.00 55.06 54.71 3juw s HIS 95 Cb -0.19 -1.43 -0.12 0.00 1.11 0.00 0.00 32.58 31.95 3juw s HIS 95 CO 0.45 0.36 2.00 -2.30 -0.85 0.00 0.00 174.74 174.40 3juw n PRO 96 N 1.04 1.50 -3.92 8.40 -0.02 -1.26 -4.64 135.00 136.09 3juw n PRO 96 Ca -0.15 0.50 -0.35 0.00 -2.02 0.00 0.00 63.50 61.48 3juw n PRO 96 Cb 0.52 -2.49 -0.14 0.00 -0.02 0.00 0.00 33.50 31.38 3juw n PRO 96 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3juw s GLU 97 N 4.96 3.43 0.13 -0.52 2.12 0.20 -2.03 118.70 126.99 3juw s GLU 97 Ca 1.01 -0.60 -0.30 0.00 0.36 0.00 0.00 54.97 55.44 3juw s GLU 97 Cb -0.82 -3.04 -0.06 0.00 0.26 0.00 0.00 34.13 30.46 3juw s GLU 97 CO 0.53 -0.17 1.03 0.00 -0.54 0.00 0.00 175.26 176.11 3juw s ALA 98 N 1.43 3.30 0.13 6.30 0.00 0.17 0.35 121.76 133.45 3juw s ALA 98 Ca 0.05 0.69 -0.09 0.00 0.00 0.00 0.00 51.96 52.61 3juw s ALA 98 Cb -0.14 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 3juw s ALA 98 CO -0.02 -0.13 0.24 0.00 0.00 0.00 0.00 175.76 175.85 3juw s ALA 99 N -0.00 -0.08 -0.05 0.00 0.00 -0.29 -4.51 121.76 116.83 3juw s ALA 99 Ca 0.49 -0.78 -0.31 0.00 0.00 0.00 0.00 51.96 51.36 3juw s ALA 99 Cb -0.26 0.70 0.07 0.00 0.00 0.00 0.00 23.12 23.63 3juw s ALA 99 CO 0.32 -0.58 0.69 1.67 0.00 0.00 0.00 175.76 177.85 3juw s TRP 100 N -3.92 -0.66 -0.26 0.00 -2.14 -1.26 -1.59 118.94 109.11 3juw s TRP 100 Ca 0.12 1.13 -0.10 0.00 2.66 0.00 0.00 56.10 59.91 3juw s TRP 100 Cb 0.04 0.41 0.11 0.00 -3.10 0.00 0.00 33.47 30.93 3juw s TRP 100 CO -0.05 -0.60 0.58 0.00 -2.66 0.00 0.00 176.95 174.22 3juw s ALA 101 N -1.17 -1.75 -0.12 2.67 0.00 -0.03 -4.98 121.76 116.38 3juw s ALA 101 Ca -0.11 2.10 -0.11 0.00 0.00 0.00 0.00 51.96 53.84 3juw s ALA 101 Cb -0.00 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 3juw s ALA 101 CO 0.10 -0.77 0.25 0.08 0.00 0.00 0.00 175.76 175.41 3juw s VAL 102 N 2.57 5.33 0.39 0.00 1.01 -1.26 -1.08 120.40 127.35 3juw s VAL 102 Ca -0.06 0.45 -0.24 0.00 0.00 0.00 0.00 61.98 62.14 3juw s VAL 102 Cb -0.11 -3.56 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 3juw s VAL 102 CO -0.17 0.50 0.75 0.00 0.00 0.00 0.00 175.10 176.18 3juw n ALA 103 N 2.73 -0.92 -0.19 5.51 0.00 -0.87 -4.75 120.51 122.01 3juw n ALA 103 Ca -0.15 0.23 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 3juw n ALA 103 Cb 0.53 -1.89 0.07 0.00 0.00 0.00 0.00 19.45 18.16 3juw n ALA 103 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3juw h SER 104 N 1.18 -0.44 0.58 0.00 0.87 -1.92 -1.27 113.55 112.56 3juw h SER 104 Ca -0.41 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 3juw h SER 104 Cb 1.38 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 63.66 3juw h SER 104 CO 0.55 -0.16 0.00 0.00 -0.53 0.00 0.00 176.83 176.68 3juw n ALA 105 N -2.91 1.74 -0.73 6.23 0.00 -1.26 -3.68 120.51 119.89 3juw n ALA 105 Ca 0.07 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.54 3juw n ALA 105 Cb 0.32 -1.28 0.09 0.00 0.00 0.00 0.00 19.45 18.59 3juw n ALA 105 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3juw n HIS 106 N -1.58 0.00 -1.79 0.00 -0.00 -0.49 -5.05 115.22 106.31 3juw n HIS 106 Ca 0.04 -0.84 -0.33 0.00 -0.00 0.00 0.00 57.72 56.60 3juw n HIS 106 Cb 0.20 -0.12 0.04 0.00 -0.00 0.00 0.00 29.99 30.11 3juw n HIS 106 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 3juw s GLN 107 N -2.27 2.93 -0.65 -0.41 -0.21 -1.18 -3.89 119.66 113.98 3juw s GLN 107 Ca 0.22 1.28 0.00 0.00 0.02 0.00 0.00 55.36 56.88 3juw s GLN 107 Cb 0.19 -1.97 0.00 0.00 1.00 0.00 0.00 33.01 32.23 3juw s GLN 107 CO 0.02 -1.14 0.00 0.41 -2.12 0.00 0.00 175.29 172.46 3juw n GLY 108 N -0.83 0.78 0.83 3.09 0.00 -1.26 -4.90 105.19 102.90 3juw n GLY 108 Ca 0.10 -0.76 0.07 0.00 0.00 0.00 0.00 46.02 45.43 3juw n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3juw n ARG 109 N -2.69 2.96 -1.41 1.61 5.12 -1.25 -4.97 116.66 116.02 3juw n ARG 109 Ca -0.06 -2.33 -0.13 0.00 -1.93 0.00 0.00 57.85 53.39 3juw n ARG 109 Cb 0.24 -1.47 -0.06 0.00 -1.16 0.00 0.00 32.46 30.02 3juw n ARG 109 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3juw n GLY 110 N 0.45 1.37 0.34 -0.13 0.00 -1.26 -4.92 105.19 101.03 3juw n GLY 110 Ca 0.16 -0.40 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 3juw n GLY 110 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3juw h LEU 111 N 0.00 1.11 -0.54 0.99 3.38 -1.93 -1.79 115.31 116.53 3juw h LEU 111 Ca -0.28 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 3juw h LEU 111 Cb 0.88 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3juw h LEU 111 CO 0.40 0.99 0.19 0.00 0.09 0.00 0.00 178.44 180.11 3juw h ALA 112 N 1.16 0.70 -0.23 1.53 0.00 -1.95 -0.49 119.26 119.99 3juw h ALA 112 Ca 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3juw h ALA 112 Cb 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3juw h ALA 112 CO -0.02 0.33 0.01 0.00 0.00 0.00 0.00 179.25 179.58 3juw h ALA 113 N 1.05 0.31 -0.70 0.00 0.00 -1.93 -3.06 119.26 114.92 3juw h ALA 113 Ca 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3juw h ALA 113 Cb 0.23 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3juw h ALA 113 CO -0.01 0.01 0.32 1.49 0.00 0.00 0.00 179.25 181.06 3juw h GLU 114 N 0.17 1.02 -0.15 0.00 4.81 -1.05 -0.73 114.58 118.66 3juw h GLU 114 Ca 0.07 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3juw h GLU 114 Cb 0.37 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3juw h GLU 114 CO 0.01 0.82 0.00 0.00 -0.73 0.00 0.00 179.01 179.11 3juw n ALA 115 N -2.38 1.67 0.00 2.92 0.00 -0.22 -2.44 120.51 120.05 3juw n ALA 115 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3juw n ALA 115 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3juw n ALA 115 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3juw n GLN 117 N -0.12 0.00 -0.32 0.00 6.02 -0.28 -1.42 117.38 121.27 3juw n GLN 117 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 3juw n GLN 117 Cb 0.04 0.00 0.10 0.00 1.02 0.00 0.00 30.24 31.40 3juw n GLN 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3juw h ALA 118 N 0.00 1.17 -0.26 -1.58 0.00 -1.73 -2.00 119.26 114.86 3juw h ALA 118 Ca 0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 3juw h ALA 118 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.44 3juw h ALA 118 CO 0.00 0.66 -0.53 -0.07 0.00 0.00 0.00 179.25 179.31 3juw h LEU 119 N 1.23 0.92 -0.48 0.00 3.38 -1.52 -1.81 115.31 117.03 3juw h LEU 119 Ca 0.31 -0.54 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 3juw h LEU 119 Cb 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3juw h LEU 119 CO -0.05 1.29 -0.11 -0.07 0.09 0.00 0.00 178.44 179.59 3juw h LEU 120 N 0.58 0.92 -0.69 1.67 3.38 -1.82 0.58 115.31 119.93 3juw h LEU 120 Ca 0.01 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 3juw h LEU 120 Cb 1.14 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 3juw h LEU 120 CO 0.12 1.07 0.24 0.00 0.09 0.00 0.00 178.44 179.95 3juw h ALA 121 N 0.88 0.91 0.22 1.53 0.00 -1.31 0.34 119.26 121.83 3juw h ALA 121 Ca 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3juw h ALA 121 Cb 0.66 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3juw h ALA 121 CO 0.05 0.56 -0.11 1.25 0.00 0.00 0.00 179.25 181.00 3juw h HIS 122 N 1.01 -0.28 -0.56 0.00 -0.00 -1.23 -2.65 115.15 111.44 3juw h HIS 122 Ca 0.23 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.68 3juw h HIS 122 Cb 0.27 0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 27.74 3juw h HIS 122 CO 0.02 -0.17 0.38 1.25 -0.00 0.00 0.00 177.93 179.40 3juw h HIS 123 N -0.30 0.42 -0.81 5.26 6.17 -0.46 -2.46 115.15 122.98 3juw h HIS 123 Ca -0.03 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.06 3juw h HIS 123 Cb 0.23 -0.14 -0.04 0.00 2.52 0.00 0.00 27.41 29.98 3juw h HIS 123 CO -0.06 0.21 0.49 -0.44 0.71 0.00 0.00 177.93 178.83 3juw h ASP 124 N 0.40 0.98 0.49 3.26 3.32 0.03 -3.12 116.42 121.78 3juw h ASP 124 Ca 0.25 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3juw h ASP 124 Cb 0.47 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3juw h ASP 124 CO -0.07 0.76 -0.24 0.03 -1.72 0.00 0.00 179.24 178.00 3juw h ARG 125 N 1.11 -0.64 -0.88 3.56 3.08 -1.40 -3.45 114.38 115.77 3juw h ARG 125 Ca 0.29 0.04 0.26 0.00 0.07 0.00 0.00 59.98 60.64 3juw h ARG 125 Cb -0.04 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 3juw h ARG 125 CO -0.05 -0.42 0.67 0.77 -1.07 0.00 0.00 179.97 179.86 3juw h SER 126 N -1.10 0.00 0.00 7.04 0.02 -1.38 -3.52 113.55 114.60 3juw h SER 126 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3juw h SER 126 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3juw h SER 126 CO 0.11 0.00 0.00 1.67 -1.14 0.00 0.00 176.83 177.47 3juw n GLN 130 N -4.14 0.00 -2.17 3.45 7.27 -1.26 -5.06 117.38 115.47 3juw n GLN 130 Ca 0.18 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.84 3juw n GLN 130 Cb 0.98 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.60 3juw n GLN 130 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 3juw s ARG 131 N -5.01 4.37 0.05 3.69 3.52 -1.26 -4.90 118.95 119.41 3juw s ARG 131 Ca 0.00 2.12 0.09 0.00 -0.13 0.00 0.00 55.73 57.81 3juw s ARG 131 Cb 0.00 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 3juw s ARG 131 CO 0.00 -0.26 -0.24 0.08 -0.81 0.00 0.00 175.30 174.07 3juw s VAL 132 N -0.15 2.35 0.39 7.11 1.01 -0.92 -4.65 120.40 125.55 3juw s VAL 132 Ca 0.56 -1.36 0.08 0.00 0.00 0.00 0.00 61.98 61.25 3juw s VAL 132 Cb -0.38 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 33.98 3juw s VAL 132 CO 0.42 0.33 -0.02 0.68 0.00 0.00 0.00 175.10 176.51 3juw s VAL 133 N -0.86 2.08 0.16 2.92 -7.23 -0.86 0.55 120.40 117.16 3juw s VAL 133 Ca 0.13 -2.06 -0.21 0.00 -1.81 0.00 0.00 61.98 58.03 3juw s VAL 133 Cb -0.10 -2.89 0.05 0.00 0.56 0.00 0.00 36.38 34.00 3juw s VAL 133 CO 0.03 -0.06 0.55 0.00 -0.31 0.00 0.00 175.10 175.31 3juw s ALA 134 N -2.68 -1.35 -0.23 1.32 0.00 -0.22 -0.65 121.76 117.95 3juw s ALA 134 Ca 0.34 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.57 3juw s ALA 134 Cb 0.08 0.84 0.04 0.00 0.00 0.00 0.00 23.12 24.08 3juw s ALA 134 CO 0.18 -0.76 -0.14 -1.17 0.00 0.00 0.00 175.76 173.86 3juw s LEU 135 N -2.79 2.87 0.00 0.00 2.96 -1.26 -0.78 118.68 119.68 3juw s LEU 135 Ca 0.03 -1.08 0.02 0.00 -0.22 0.00 0.00 54.13 52.88 3juw s LEU 135 Cb -0.01 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.18 3juw s LEU 135 CO -0.11 -0.12 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.10 3juw s ILE 136 N 1.20 0.59 0.21 6.68 1.01 -0.93 -4.99 121.20 124.96 3juw s ILE 136 Ca -0.03 -0.40 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 3juw s ILE 136 Cb -0.17 -0.51 -0.09 0.00 0.01 0.00 0.00 42.46 41.70 3juw s ILE 136 CO -0.08 0.11 1.26 0.00 0.00 0.00 0.00 174.94 176.22 3juw s ALA 137 N -0.30 3.49 0.53 9.38 0.00 -1.26 -0.49 121.76 133.10 3juw s ALA 137 Ca 0.02 1.05 0.25 0.00 0.00 0.00 0.00 51.96 53.28 3juw s ALA 137 Cb -0.04 -3.45 1.39 0.00 0.00 0.00 0.00 23.12 21.02 3juw s ALA 137 CO -0.00 -0.47 1.99 -0.09 0.00 0.00 0.00 175.76 177.19 3juw h ARG 138 N 5.13 0.01 -0.00 0.00 2.43 -1.35 -0.87 114.38 119.72 3juw h ARG 138 Ca -0.45 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3juw h ARG 138 Cb 1.21 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3juw h ARG 138 CO 0.75 0.01 -0.29 -1.13 -1.51 0.00 0.00 179.97 177.80 3juw n SER 139 N -4.38 0.68 -3.95 -3.80 3.41 -1.26 -4.55 113.62 99.77 3juw n SER 139 Ca 0.10 -0.53 -0.42 0.00 -0.26 0.00 0.00 58.87 57.76 3juw n SER 139 Cb 0.61 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 3juw n SER 139 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3juw n ASN 140 N -1.04 4.50 -0.14 4.04 2.85 -0.33 -4.84 115.26 120.29 3juw n ASN 140 Ca 0.10 -2.95 -0.03 0.00 -0.11 0.00 0.00 54.58 51.59 3juw n ASN 140 Cb 0.33 -1.61 0.04 0.00 1.24 0.00 0.00 39.78 39.78 3juw n ASN 140 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3juw h LEU 141 N 9.68 -0.25 -0.39 1.20 3.38 -1.83 -1.07 115.31 126.03 3juw h LEU 141 Ca 0.48 0.12 -0.15 0.00 0.09 0.00 0.00 57.88 58.41 3juw h LEU 141 Cb 0.69 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3juw h LEU 141 CO 1.70 -0.08 -0.35 -0.65 0.09 0.00 0.00 178.44 179.14 3juw h PRO 142 N 0.09 0.92 -0.87 1.13 0.11 -1.98 -1.05 132.00 130.34 3juw h PRO 142 Ca 0.23 -0.47 0.03 0.00 0.11 0.00 0.00 66.00 65.89 3juw h PRO 142 Cb 0.34 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.42 3juw h PRO 142 CO -0.41 1.13 0.57 0.77 -0.21 0.00 0.00 178.00 179.85 3juw h SER 143 N 0.74 0.96 -0.83 -2.05 0.02 -1.92 -1.45 113.55 109.03 3juw h SER 143 Ca 0.07 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3juw h SER 143 Cb 0.94 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.22 3juw h SER 143 CO 0.09 0.67 0.49 -0.07 -1.14 0.00 0.00 176.83 176.87 3juw h LEU 144 N 1.12 1.00 -0.35 5.07 3.38 -0.91 -1.01 115.31 123.62 3juw h LEU 144 Ca 0.34 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 3juw h LEU 144 Cb -0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3juw h LEU 144 CO -0.10 0.78 -0.00 0.03 0.09 0.00 0.00 178.44 179.24 3juw h ARG 145 N 1.14 0.62 -0.25 1.13 3.08 -0.79 -0.64 114.38 118.66 3juw h ARG 145 Ca 0.30 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 3juw h ARG 145 Cb -0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3juw h ARG 145 CO -0.05 0.73 0.04 1.25 -1.07 0.00 0.00 179.97 180.87 3juw h LEU 146 N 0.43 0.39 -0.59 3.04 5.85 -1.07 -0.91 115.31 122.44 3juw h LEU 146 Ca 0.10 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 58.67 3juw h LEU 146 Cb 0.46 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.30 3juw h LEU 146 CO 0.02 0.55 0.13 0.00 -0.34 0.00 0.00 178.44 178.80 3juw h ALA 147 N 0.86 0.70 -0.67 1.25 0.00 -1.05 0.73 119.26 121.08 3juw h ALA 147 Ca 0.08 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3juw h ALA 147 Cb 0.32 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3juw h ALA 147 CO 0.00 -0.30 0.15 0.93 0.00 0.00 0.00 179.25 180.04 3juw h GLU 148 N 0.27 1.08 -0.91 0.00 5.08 -0.67 -1.19 114.58 118.23 3juw h GLU 148 Ca 0.31 -0.27 0.09 0.00 -1.00 0.00 0.00 59.36 58.49 3juw h GLU 148 Cb 0.45 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 3juw h GLU 148 CO -0.39 0.97 0.59 0.00 -1.00 0.00 0.00 179.01 179.18 3juw h ARG 149 N 1.00 0.92 0.00 2.33 3.08 -0.81 -2.11 114.38 118.80 3juw h ARG 149 Ca 0.21 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3juw h ARG 149 Cb 0.38 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3juw h ARG 149 CO 0.00 0.61 0.00 1.28 -1.07 0.00 0.00 179.97 180.80 3juw n LEU 150 N -4.52 0.00 0.00 3.04 4.77 0.22 -4.90 117.00 115.61 3juw n LEU 150 Ca 0.15 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 3juw n LEU 150 Cb 0.27 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3juw n LEU 150 CO 0.31 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 3juw n GLY 151 N 0.35 0.61 3.78 -0.72 0.00 -0.79 -5.07 105.19 103.36 3juw n GLY 151 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3juw n GLY 151 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3juw s PHE 152 N -2.00 3.59 0.03 1.61 0.08 -0.53 -4.45 117.98 116.31 3juw s PHE 152 Ca 0.00 1.74 0.03 0.00 0.12 0.00 0.00 56.93 58.83 3juw s PHE 152 Cb 0.00 -2.98 -0.02 0.00 -0.57 0.00 0.00 43.02 39.45 3juw s PHE 152 CO 0.00 -0.01 -0.10 -0.98 -0.10 0.00 0.00 175.22 174.04 3juw s ARG 153 N -2.16 0.66 0.53 0.44 1.70 -0.33 -4.04 118.95 115.74 3juw s ARG 153 Ca 0.52 -0.65 -0.21 0.00 -0.47 0.00 0.00 55.73 54.92 3juw s ARG 153 Cb -0.19 -0.57 -0.06 0.00 -0.57 0.00 0.00 34.95 33.56 3juw s ARG 153 CO 0.25 0.13 1.22 0.20 -1.08 0.00 0.00 175.30 176.02 3juw s GLY 154 N -1.14 2.78 0.00 3.88 0.00 -1.26 -1.32 107.32 110.27 3juw s GLY 154 Ca -0.03 1.04 0.00 0.00 0.00 0.00 0.00 44.72 45.73 3juw s GLY 154 CO 0.01 1.48 0.00 1.58 0.00 0.00 0.00 173.10 176.17 3juw n TYR 155 N -1.00 0.00 -3.82 1.90 0.18 -0.67 -4.90 117.16 108.85 3juw n TYR 155 Ca 0.10 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.79 3juw n TYR 155 Cb 0.48 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.41 3juw n TYR 155 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3juw s SER 156 N 0.00 -0.23 0.13 9.48 0.15 -1.18 -5.03 113.70 117.02 3juw s SER 156 Ca 0.00 -0.60 0.06 0.00 0.70 0.00 0.00 55.95 56.10 3juw s SER 156 Cb 0.00 0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 64.90 3juw s SER 156 CO 0.00 -1.16 -0.13 1.51 1.20 0.00 0.00 173.24 174.66 3juw s ASP 157 N -2.92 1.96 -0.12 5.45 1.47 -1.26 -1.63 116.67 119.62 3juw s ASP 157 Ca 0.12 -0.87 -0.24 0.00 1.18 0.00 0.00 52.55 52.74 3juw s ASP 157 Cb -0.02 -0.06 0.06 0.00 -0.34 0.00 0.00 42.92 42.56 3juw s ASP 157 CO 0.03 -0.20 0.59 0.68 0.68 0.00 0.00 175.17 176.95 3juw s VAL 158 N -2.50 0.01 -0.04 2.11 -7.23 -0.64 -4.92 120.40 107.19 3juw s VAL 158 Ca 0.12 -0.08 -0.20 0.00 -1.81 0.00 0.00 61.98 60.01 3juw s VAL 158 Cb -0.03 -0.87 -0.05 0.00 0.56 0.00 0.00 36.38 35.99 3juw s VAL 158 CO 0.03 -0.04 0.57 0.00 -0.31 0.00 0.00 175.10 175.35 3juw s ALA 159 N -0.56 3.48 -0.12 1.32 0.00 -1.26 0.12 121.76 124.74 3juw s ALA 159 Ca -0.07 -0.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.75 3juw s ALA 159 Cb -0.03 -2.73 0.03 0.00 0.00 0.00 0.00 23.12 20.40 3juw s ALA 159 CO 0.05 0.11 0.36 0.12 0.00 0.00 0.00 175.76 176.40 3juw s PHE 160 N 0.06 -0.37 -1.56 0.00 5.36 -0.48 -4.89 117.98 116.11 3juw s PHE 160 Ca 0.30 0.87 -0.14 0.00 -0.96 0.00 0.00 56.93 57.00 3juw s PHE 160 Cb -0.17 0.13 0.09 0.00 -0.34 0.00 0.00 43.02 42.73 3juw s PHE 160 CO 0.16 -0.22 0.91 -3.47 -1.46 0.00 0.00 175.22 171.14 3juw n ASP 161 N 2.64 -4.15 0.00 6.13 2.03 -1.26 -1.50 116.55 120.44 3juw n ASP 161 Ca -0.14 -0.84 0.00 0.00 0.52 0.00 0.00 54.79 54.33 3juw n ASP 161 Cb 0.57 -3.63 0.00 0.00 -0.72 0.00 0.00 41.12 37.35 3juw n ASP 161 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3juw n GLY 162 N -1.64 0.36 3.09 0.27 0.00 -1.26 -4.98 105.19 101.04 3juw n GLY 162 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 3juw n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3juw s ALA 163 N -1.83 0.54 0.07 4.61 0.00 -0.56 -5.14 121.76 119.46 3juw s ALA 163 Ca 0.00 -1.19 -0.31 0.00 0.00 0.00 0.00 51.96 50.46 3juw s ALA 163 Cb 0.00 0.25 -0.07 0.00 0.00 0.00 0.00 23.12 23.30 3juw s ALA 163 CO 0.00 -0.34 1.39 0.00 0.00 0.00 0.00 175.76 176.80 3juw s ALA 164 N -3.76 3.57 0.24 0.00 0.00 -1.26 -1.38 121.76 119.18 3juw s ALA 164 Ca 0.06 1.03 0.10 0.00 0.00 0.00 0.00 51.96 53.15 3juw s ALA 164 Cb 0.07 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 3juw s ALA 164 CO -0.09 -0.71 -0.18 -1.01 0.00 0.00 0.00 175.76 173.77 3juw s HIS 165 N 1.57 2.04 -0.11 0.00 4.02 0.32 -0.93 115.29 122.20 3juw s HIS 165 Ca 0.64 -0.44 -0.01 0.00 1.02 0.00 0.00 55.06 56.28 3juw s HIS 165 Cb -0.35 -0.91 -0.03 0.00 -1.02 0.00 0.00 32.58 30.28 3juw s HIS 165 CO 0.29 0.56 -0.07 -0.51 1.02 0.00 0.00 174.74 176.02 3juw s LEU 166 N -3.40 3.09 -0.13 0.89 1.02 0.36 -1.62 118.68 118.89 3juw s LEU 166 Ca 0.26 -0.12 -0.24 0.00 0.02 0.00 0.00 54.13 54.05 3juw s LEU 166 Cb -0.03 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.45 3juw s LEU 166 CO 0.11 0.26 0.74 -0.76 0.02 0.00 0.00 176.35 176.73 3juw s LEU 167 N -0.19 4.23 0.27 1.79 1.43 -0.65 -2.19 118.68 123.37 3juw s LEU 167 Ca 0.02 1.12 0.12 0.00 -1.03 0.00 0.00 54.13 54.36 3juw s LEU 167 Cb -0.13 -3.12 -0.05 0.00 0.03 0.00 0.00 46.19 42.93 3juw s LEU 167 CO 0.03 -0.26 -0.21 -0.76 0.23 0.00 0.00 176.35 175.38 3juw s LEU 168 N 1.55 2.57 -0.01 1.79 1.02 0.04 -1.66 118.68 123.97 3juw s LEU 168 Ca 0.36 -1.01 -0.06 0.00 0.02 0.00 0.00 54.13 53.45 3juw s LEU 168 Cb -0.17 -1.11 0.00 0.00 0.02 0.00 0.00 46.19 44.94 3juw s LEU 168 CO 0.15 0.05 0.12 -1.83 0.02 0.00 0.00 176.35 174.85 3juw s GLU 169 N -3.38 0.35 -0.15 1.70 -1.05 -0.43 -1.06 118.70 114.68 3juw s GLU 169 Ca 0.29 -0.22 0.01 0.00 -0.15 0.00 0.00 54.97 54.89 3juw s GLU 169 Cb -0.05 0.15 0.02 0.00 -0.44 0.00 0.00 34.13 33.80 3juw s GLU 169 CO 0.14 -0.07 -0.16 0.50 0.95 0.00 0.00 175.26 176.62 3juw s ARG 170 N -0.88 2.49 0.00 -4.83 3.52 0.19 -1.18 118.95 118.26 3juw s ARG 170 Ca -0.10 -0.64 0.00 0.00 -0.13 0.00 0.00 55.73 54.87 3juw s ARG 170 Cb -0.06 -2.22 0.00 0.00 -1.56 0.00 0.00 34.95 31.11 3juw s ARG 170 CO 0.01 -0.21 0.40 0.00 -0.81 0.00 0.00 175.30 174.69