#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n59 s ILE 4 N 0.00 5.22 -0.08 1.47 1.01 -1.26 -1.03 121.20 126.52 3n59 s ILE 4 Ca 0.00 0.46 0.01 0.00 0.00 0.00 0.00 60.65 61.12 3n59 s ILE 4 Cb 0.00 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 3n59 s ILE 4 CO 0.00 0.19 -0.09 0.68 0.00 0.00 0.00 174.94 175.72 3n59 s VAL 5 N 1.90 3.47 -0.26 2.92 -7.23 -0.04 -4.00 120.40 117.16 3n59 s VAL 5 Ca 0.13 -0.55 -0.09 0.00 -1.81 0.00 0.00 61.98 59.66 3n59 s VAL 5 Cb -0.16 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 3n59 s VAL 5 CO 0.10 0.57 0.12 0.20 -0.31 0.00 0.00 175.10 175.78 3n59 s ASN 6 N -0.46 5.55 -0.35 4.85 0.01 -0.47 -1.63 114.94 122.45 3n59 s ASN 6 Ca 0.06 -0.11 -0.11 0.00 -0.71 0.00 0.00 52.86 52.00 3n59 s ASN 6 Cb -0.12 -2.01 0.01 0.00 0.41 0.00 0.00 41.25 39.54 3n59 s ASN 6 CO 0.02 -0.04 0.19 -0.69 -1.51 0.00 0.00 177.10 175.07 3n59 s VAL 7 N 1.65 4.63 -0.15 1.60 1.01 -0.23 -0.21 120.40 128.70 3n59 s VAL 7 Ca 0.07 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.41 3n59 s VAL 7 Cb -0.15 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 3n59 s VAL 7 CO 0.07 -0.10 -0.15 -0.63 0.00 0.00 0.00 175.10 174.29 3n59 s ILE 8 N 1.59 2.70 -0.12 2.22 1.01 0.13 -1.20 121.20 127.53 3n59 s ILE 8 Ca 0.03 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.92 3n59 s ILE 8 Cb -0.18 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 3n59 s ILE 8 CO 0.07 0.52 -0.13 0.20 0.00 0.00 0.00 174.94 175.59 3n59 s ASN 9 N 0.76 4.05 0.17 3.58 0.01 -0.15 -1.35 114.94 122.01 3n59 s ASN 9 Ca -0.06 -0.30 0.00 0.00 -0.71 0.00 0.00 52.86 51.79 3n59 s ASN 9 Cb -0.15 -1.52 0.00 0.00 0.41 0.00 0.00 41.25 39.98 3n59 s ASN 9 CO 0.01 0.19 0.00 0.61 -1.51 0.00 0.00 177.10 176.40 3n59 n GLY 10 N 3.36 -0.24 3.61 0.66 0.00 0.17 -1.93 105.19 110.83 3n59 n GLY 10 Ca -0.18 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 3n59 n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n59 n PRO 11 N -0.22 1.39 -0.05 1.61 -0.02 -1.11 -2.72 135.00 133.88 3n59 n PRO 11 Ca 0.00 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3n59 n PRO 11 Cb 0.00 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3n59 n PRO 11 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3n59 n ASN 12 N 0.57 0.00 0.09 2.55 3.02 -1.26 -4.47 115.26 115.76 3n59 n ASN 12 Ca 0.09 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.76 3n59 n ASN 12 Cb 0.38 -0.74 0.45 0.00 -0.61 0.00 0.00 39.78 39.26 3n59 n ASN 12 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3n59 n LEU 13 N 0.00 0.59 0.00 3.41 4.77 -1.10 -1.73 117.00 122.94 3n59 n LEU 13 Ca 0.00 0.59 0.10 0.00 -0.03 0.00 0.00 56.01 56.67 3n59 n LEU 13 Cb 0.00 -0.44 0.46 0.00 -2.33 0.00 0.00 43.42 41.11 3n59 n LEU 13 CO 0.00 -0.28 0.84 0.61 -1.33 0.00 0.00 177.39 177.23 3n59 n GLY 14 N 0.84 -1.23 1.11 -0.72 0.00 -1.26 -3.32 105.19 100.61 3n59 n GLY 14 Ca 0.05 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.09 3n59 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n59 n ARG 15 N -1.49 2.40 -1.71 1.61 5.12 -0.70 -4.71 116.66 117.17 3n59 n ARG 15 Ca 0.05 -2.17 -0.41 0.00 -1.93 0.00 0.00 57.85 53.39 3n59 n ARG 15 Cb 0.25 -1.48 0.01 0.00 -1.16 0.00 0.00 32.46 30.08 3n59 n ARG 15 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3n59 n LEU 16 N 1.28 4.15 0.00 0.55 4.77 -1.21 -1.67 117.00 124.87 3n59 n LEU 16 Ca 0.20 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.32 3n59 n LEU 16 Cb 0.52 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 3n59 n LEU 16 CO 0.14 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.32 3n59 n GLY 17 N 0.75 2.95 0.12 -0.72 0.00 -1.04 -3.79 105.19 103.46 3n59 n GLY 17 Ca 0.06 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 3n59 n GLY 17 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3n59 h ARG 18 N 0.00 0.18 -6.32 1.61 3.08 -1.80 -3.43 114.38 107.71 3n59 h ARG 18 Ca 0.00 -0.31 -0.55 0.00 0.07 0.00 0.00 59.98 59.19 3n59 h ARG 18 Cb 0.00 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 3n59 h ARG 18 CO 0.00 1.15 0.97 -0.98 -1.07 0.00 0.00 179.97 180.04 3n59 s ARG 19 N -2.47 4.22 -0.30 0.04 1.70 -0.67 -4.16 118.95 117.32 3n59 s ARG 19 Ca -0.23 2.08 -0.01 0.00 -0.47 0.00 0.00 55.73 57.10 3n59 s ARG 19 Cb 0.05 -3.76 0.00 0.00 -0.57 0.00 0.00 34.95 30.68 3n59 s ARG 19 CO 0.72 -0.72 0.21 0.39 -1.08 0.00 0.00 175.30 174.82 3n59 n GLU 20 N 6.22 -0.55 0.20 3.89 1.02 -1.26 -4.54 120.64 125.62 3n59 n GLU 20 Ca 0.15 0.18 0.06 0.00 -0.02 0.00 0.00 57.16 57.53 3n59 n GLU 20 Cb 0.43 -0.68 0.54 0.00 -0.02 0.00 0.00 31.44 31.71 3n59 n GLU 20 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3n59 h PRO 21 N 0.64 0.09 0.00 3.49 0.11 -1.79 -0.16 132.00 134.37 3n59 h PRO 21 Ca -0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3n59 h PRO 21 Cb 0.48 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.57 3n59 h PRO 21 CO 0.13 0.14 0.00 0.00 -0.21 0.00 0.00 178.00 178.06 3n59 n ALA 22 N -2.52 1.99 -0.04 -0.75 0.00 -1.26 -0.53 120.51 117.40 3n59 n ALA 22 Ca -0.02 -0.09 -0.07 0.00 0.00 0.00 0.00 53.44 53.27 3n59 n ALA 22 Cb 0.16 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 3n59 n ALA 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3n59 n VAL 23 N -1.19 0.39 0.61 0.00 0.31 -0.18 -4.85 118.33 113.42 3n59 n VAL 23 Ca 0.10 -0.12 0.07 0.00 -0.01 0.00 0.00 64.34 64.38 3n59 n VAL 23 Cb 0.11 -1.26 -0.09 0.00 -0.91 0.00 0.00 33.84 31.68 3n59 n VAL 23 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3n59 n TYR 24 N -3.08 0.00 0.00 3.52 4.01 -0.54 -4.48 117.16 116.59 3n59 n TYR 24 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 3n59 n TYR 24 Cb 0.61 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 3n59 n TYR 24 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3n59 n GLY 25 N 1.39 0.71 0.45 2.72 0.00 0.30 -4.79 105.19 105.99 3n59 n GLY 25 Ca 0.02 -1.94 0.12 0.00 0.00 0.00 0.00 46.02 44.23 3n59 n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n59 n GLY 26 N 1.08 -0.10 3.70 -0.02 0.00 -1.26 -3.91 105.19 104.68 3n59 n GLY 26 Ca 0.00 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3n59 n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n59 s THR 27 N -2.38 3.81 0.84 2.61 2.01 -1.26 -4.37 115.64 116.90 3n59 s THR 27 Ca 0.24 1.23 -0.12 0.00 0.31 0.00 0.00 61.69 63.35 3n59 s THR 27 Cb 0.19 -3.79 0.10 0.00 0.01 0.00 0.00 72.50 69.01 3n59 s THR 27 CO 0.50 0.04 1.12 0.42 -0.69 0.00 0.00 174.62 176.01 3n59 s THR 28 N 1.86 2.51 0.20 -0.82 -4.23 -1.26 -2.51 115.64 111.39 3n59 s THR 28 Ca 0.61 0.16 -0.04 0.00 -1.18 0.00 0.00 61.69 61.25 3n59 s THR 28 Cb -0.31 -2.96 -0.02 0.00 1.34 0.00 0.00 72.50 70.55 3n59 s THR 28 CO 0.27 -0.21 1.55 -0.74 -0.54 0.00 0.00 174.62 174.95 3n59 h HIS 29 N -1.23 0.79 -0.69 3.99 2.76 -1.84 -1.89 115.15 117.03 3n59 h HIS 29 Ca -0.48 -0.24 0.02 0.00 -2.20 0.00 0.00 60.37 57.47 3n59 h HIS 29 Cb 1.30 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 30.06 3n59 h HIS 29 CO 0.37 0.96 0.45 -0.44 -1.30 0.00 0.00 177.93 177.98 3n59 h ASP 30 N 0.54 0.76 -0.37 3.26 5.19 -1.93 -0.84 116.42 123.02 3n59 h ASP 30 Ca 0.04 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.37 3n59 h ASP 30 Cb 0.94 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.25 3n59 h ASP 30 CO 0.09 0.54 -0.02 -0.33 -3.12 0.00 0.00 179.24 176.39 3n59 h GLU 31 N 0.90 0.77 -0.59 3.56 5.08 -1.91 -2.39 114.58 119.99 3n59 h GLU 31 Ca 0.26 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3n59 h GLU 31 Cb -0.06 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3n59 h GLU 31 CO -0.08 0.79 0.25 1.25 -1.00 0.00 0.00 179.01 180.23 3n59 h LEU 32 N 0.71 0.80 -0.44 1.33 5.85 -0.82 -1.26 115.31 121.48 3n59 h LEU 32 Ca 0.14 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3n59 h LEU 32 Cb 0.47 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3n59 h LEU 32 CO 0.02 0.74 0.21 0.58 -0.34 0.00 0.00 178.44 179.65 3n59 h VAL 33 N 0.81 0.95 -0.69 1.05 2.07 -0.93 -1.36 116.25 118.15 3n59 h VAL 33 Ca 0.20 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 3n59 h VAL 33 Cb 0.18 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3n59 h VAL 33 CO -0.02 0.08 0.18 0.00 0.02 0.00 0.00 177.57 177.83 3n59 h ALA 34 N 1.24 0.91 -0.52 1.67 0.00 -1.21 -1.84 119.26 119.51 3n59 h ALA 34 Ca 0.19 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3n59 h ALA 34 Cb 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3n59 h ALA 34 CO -0.14 0.62 0.17 -0.07 0.00 0.00 0.00 179.25 179.83 3n59 h LEU 35 N 1.03 0.76 -0.63 0.00 3.38 -0.98 -1.62 115.31 117.25 3n59 h LEU 35 Ca 0.22 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3n59 h LEU 35 Cb 0.35 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3n59 h LEU 35 CO -0.00 0.76 0.19 0.40 0.09 0.00 0.00 178.44 179.87 3n59 h ILE 36 N 0.71 1.25 -0.16 1.22 2.04 -1.10 -1.49 117.51 119.98 3n59 h ILE 36 Ca 0.17 -0.86 -0.08 0.00 1.00 0.00 0.00 64.86 65.08 3n59 h ILE 36 Cb 0.27 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3n59 h ILE 36 CO -0.01 0.33 -0.26 -0.33 0.00 0.00 0.00 178.15 177.88 3n59 h GLU 37 N 0.91 0.30 -0.25 2.37 5.08 -1.22 -0.20 114.58 121.56 3n59 h GLU 37 Ca 0.20 -0.10 -0.19 0.00 -1.00 0.00 0.00 59.36 58.27 3n59 h GLU 37 Cb 0.31 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3n59 h GLU 37 CO -0.00 0.55 -0.59 0.00 -1.00 0.00 0.00 179.01 177.96 3n59 h ARG 38 N 0.27 0.81 -0.19 2.33 3.08 -1.02 -2.72 114.38 116.94 3n59 h ARG 38 Ca 0.04 -0.54 -0.19 0.00 0.07 0.00 0.00 59.98 59.36 3n59 h ARG 38 Cb 0.61 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3n59 h ARG 38 CO 0.04 1.16 -0.64 1.49 -1.07 0.00 0.00 179.97 180.96 3n59 h GLU 39 N 0.61 0.69 -0.56 0.04 4.57 -1.12 -3.07 114.58 115.74 3n59 h GLU 39 Ca 0.00 -0.49 -0.02 0.00 -1.18 0.00 0.00 59.36 57.67 3n59 h GLU 39 Cb 1.19 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.84 3n59 h GLU 39 CO 0.13 1.11 0.27 0.00 -1.18 0.00 0.00 179.01 179.34 3n59 h ALA 40 N 0.77 0.72 -0.85 2.92 0.00 -1.06 -2.16 119.26 119.60 3n59 h ALA 40 Ca -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3n59 h ALA 40 Cb 1.23 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3n59 h ALA 40 CO 0.13 0.28 0.42 0.00 0.00 0.00 0.00 179.25 180.08 3n59 h ALA 41 N 1.11 1.09 -0.48 0.00 0.00 -1.53 0.26 119.26 119.70 3n59 h ALA 41 Ca 0.19 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3n59 h ALA 41 Cb 0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3n59 h ALA 41 CO -0.02 0.64 0.08 0.93 0.00 0.00 0.00 179.25 180.87 3n59 h GLU 42 N 1.20 0.75 -0.00 0.00 5.08 -1.42 -2.75 114.58 117.44 3n59 h GLU 42 Ca 0.29 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3n59 h GLU 42 Cb 0.10 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3n59 h GLU 42 CO -0.04 0.71 -0.16 1.28 -1.00 0.00 0.00 179.01 179.80 3n59 n LEU 43 N -4.27 0.42 -0.15 1.33 4.77 -0.83 -4.93 117.00 113.35 3n59 n LEU 43 Ca 0.03 0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 56.08 3n59 n LEU 43 Cb 0.24 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3n59 n LEU 43 CO 0.40 0.08 -0.02 0.61 -1.33 0.00 0.00 177.39 177.14 3n59 n GLY 44 N 1.36 0.38 3.83 -0.72 0.00 -0.39 -4.99 105.19 104.66 3n59 n GLY 44 Ca 0.11 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 3n59 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n59 s LEU 45 N -0.39 3.09 -0.17 0.99 1.43 0.76 -4.31 118.68 120.08 3n59 s LEU 45 Ca 0.00 -1.02 0.01 0.00 -1.03 0.00 0.00 54.13 52.10 3n59 s LEU 45 Cb 0.00 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.66 3n59 s LEU 45 CO 0.00 -0.74 -0.19 -0.75 0.23 0.00 0.00 176.35 174.90 3n59 s LYS 46 N -4.08 2.92 -0.19 1.70 2.36 -0.20 -4.03 119.74 118.21 3n59 s LYS 46 Ca 0.41 -0.80 -0.03 0.00 -2.55 0.00 0.00 55.97 53.00 3n59 s LYS 46 Cb -0.00 -2.51 -0.01 0.00 -1.05 0.00 0.00 37.83 34.25 3n59 s LYS 46 CO 0.24 -0.20 -0.05 0.00 1.55 0.00 0.00 175.35 176.88 3n59 s ALA 47 N 1.28 2.84 -0.34 3.13 0.00 -1.26 -0.86 121.76 126.56 3n59 s ALA 47 Ca 0.04 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 3n59 s ALA 47 Cb -0.13 -1.60 0.02 0.00 0.00 0.00 0.00 23.12 21.41 3n59 s ALA 47 CO -0.12 -0.16 0.14 0.08 0.00 0.00 0.00 175.76 175.70 3n59 s VAL 48 N 1.03 4.24 -0.21 0.00 1.01 -0.64 -4.89 120.40 120.93 3n59 s VAL 48 Ca 0.01 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 3n59 s VAL 48 Cb -0.15 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 3n59 s VAL 48 CO 0.00 -0.10 0.08 -0.69 0.00 0.00 0.00 175.10 174.39 3n59 s VAL 49 N 1.51 4.68 0.02 2.92 1.01 -1.26 -1.06 120.40 128.21 3n59 s VAL 49 Ca 0.02 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.95 3n59 s VAL 49 Cb -0.18 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 3n59 s VAL 49 CO 0.05 0.40 -0.05 -0.13 0.00 0.00 0.00 175.10 175.36 3n59 s ARG 50 N 0.93 0.37 -0.02 2.72 0.52 -0.34 -5.00 118.95 118.13 3n59 s ARG 50 Ca 0.04 -0.42 0.03 0.00 -0.52 0.00 0.00 55.73 54.86 3n59 s ARG 50 Cb -0.14 -0.22 -0.00 0.00 0.52 0.00 0.00 34.95 35.11 3n59 s ARG 50 CO 0.03 0.05 -0.12 -1.14 0.02 0.00 0.00 175.30 174.14 3n59 s GLN 51 N -0.82 1.11 -0.05 3.54 -0.44 -1.26 -0.98 119.66 120.76 3n59 s GLN 51 Ca -0.05 -0.41 -0.10 0.00 -2.50 0.00 0.00 55.36 52.29 3n59 s GLN 51 Cb -0.06 -1.04 0.02 0.00 -1.64 0.00 0.00 33.01 30.29 3n59 s GLN 51 CO -0.00 0.20 0.24 0.45 0.50 0.00 0.00 175.29 176.68 3n59 s SER 52 N -0.04 -0.17 0.00 6.67 0.15 -0.81 -4.99 113.70 114.51 3n59 s SER 52 Ca 0.00 0.22 0.27 0.00 0.70 0.00 0.00 55.95 57.14 3n59 s SER 52 Cb -0.07 0.39 0.91 0.00 -1.71 0.00 0.00 66.02 65.53 3n59 s SER 52 CO 0.00 -0.25 1.67 0.47 1.20 0.00 0.00 173.24 176.33 3n59 n ASP 53 N 2.14 0.55 -4.70 5.45 8.00 -1.26 -2.75 116.55 123.98 3n59 n ASP 53 Ca -0.18 -0.41 -0.36 0.00 0.71 0.00 0.00 54.79 54.55 3n59 n ASP 53 Cb 0.57 0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.60 3n59 n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3n59 s SER 54 N -2.70 6.32 0.19 -2.24 0.15 -1.26 -4.62 113.70 109.53 3n59 s SER 54 Ca 0.21 0.37 -0.12 0.00 0.70 0.00 0.00 55.95 57.10 3n59 s SER 54 Cb 0.19 -2.16 0.12 0.00 -1.71 0.00 0.00 66.02 62.46 3n59 s SER 54 CO 0.56 0.07 1.85 -0.08 1.20 0.00 0.00 173.24 176.84 3n59 h GLU 55 N 7.00 0.78 -0.69 5.44 4.81 -2.00 -2.73 114.58 127.20 3n59 h GLU 55 Ca -0.39 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.81 3n59 h GLU 55 Cb 1.16 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.33 3n59 h GLU 55 CO 0.73 0.52 0.45 0.00 -0.73 0.00 0.00 179.01 179.97 3n59 h ALA 56 N 1.24 0.89 -0.61 2.92 0.00 -1.99 -0.50 119.26 121.21 3n59 h ALA 56 Ca 0.23 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3n59 h ALA 56 Cb -0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3n59 h ALA 56 CO -0.07 0.26 0.06 0.37 0.00 0.00 0.00 179.25 179.87 3n59 h GLN 57 N 0.90 1.01 -0.56 0.00 5.75 -1.96 -1.63 115.11 118.62 3n59 h GLN 57 Ca 0.26 -0.28 -0.10 0.00 -0.15 0.00 0.00 58.65 58.38 3n59 h GLN 57 Cb -0.05 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 3n59 h GLN 57 CO -0.08 0.95 -0.06 -0.07 -2.65 0.00 0.00 178.83 176.93 3n59 h LEU 58 N 0.94 1.01 -0.69 -2.39 3.38 -1.14 -2.06 115.31 114.37 3n59 h LEU 58 Ca 0.18 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3n59 h LEU 58 Cb 0.46 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3n59 h LEU 58 CO 0.02 1.10 0.45 -0.07 0.09 0.00 0.00 178.44 180.03 3n59 h LEU 59 N 0.90 0.80 -0.78 1.67 3.38 -0.88 -1.47 115.31 118.94 3n59 h LEU 59 Ca 0.15 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3n59 h LEU 59 Cb 0.62 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3n59 h LEU 59 CO 0.04 0.59 0.35 -0.78 0.09 0.00 0.00 178.44 178.74 3n59 h ASP 60 N 0.94 1.04 -0.44 -0.43 3.58 -1.12 0.37 116.42 120.35 3n59 h ASP 60 Ca 0.25 -0.15 -0.09 0.00 0.42 0.00 0.00 57.03 57.46 3n59 h ASP 60 Cb -0.09 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.68 3n59 h ASP 60 CO -0.05 0.90 -0.04 -0.50 -2.88 0.00 0.00 179.24 176.66 3n59 h TRP 61 N 1.11 0.95 -0.47 0.28 6.55 -1.10 -1.67 115.95 121.60 3n59 h TRP 61 Ca 0.27 -0.16 -0.05 0.00 0.95 0.00 0.00 58.89 59.89 3n59 h TRP 61 Cb 0.15 -0.25 -0.02 0.00 -0.86 0.00 0.00 29.16 28.18 3n59 h TRP 61 CO 0.01 0.89 0.09 0.82 -1.05 0.00 0.00 178.44 179.20 3n59 h ILE 62 N 0.80 1.24 -0.35 1.49 1.08 -0.93 -2.15 117.51 118.70 3n59 h ILE 62 Ca 0.14 -0.89 0.05 0.00 -0.39 0.00 0.00 64.86 63.77 3n59 h ILE 62 Cb 0.54 0.91 -0.04 0.00 -3.07 0.00 0.00 36.82 35.16 3n59 h ILE 62 CO 0.03 0.31 0.08 0.45 -0.69 0.00 0.00 178.15 178.34 3n59 h HIS 63 N 0.65 0.14 -0.69 1.37 3.86 -0.67 -0.93 115.15 118.88 3n59 h HIS 63 Ca 0.14 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 3n59 h HIS 63 Cb 0.37 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.80 3n59 h HIS 63 CO 0.03 0.04 0.33 1.96 0.86 0.00 0.00 177.93 181.14 3n59 h GLN 64 N 0.21 1.00 0.00 2.45 4.20 -1.25 -1.47 115.11 120.24 3n59 h GLN 64 Ca 0.16 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 3n59 h GLN 64 Cb 0.17 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3n59 h GLN 64 CO -0.20 0.79 -0.24 0.00 -0.67 0.00 0.00 178.83 178.50 3n59 h ALA 65 N 1.15 1.56 -0.11 3.87 0.00 -1.02 -1.14 119.26 123.56 3n59 h ALA 65 Ca 0.24 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 3n59 h ALA 65 Cb 0.13 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3n59 h ALA 65 CO -0.03 0.31 -0.77 0.00 0.00 0.00 0.00 179.25 178.76 3n59 h ALA 66 N 1.76 0.25 -0.17 0.00 0.00 -0.64 -1.41 119.26 119.04 3n59 h ALA 66 Ca -0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 3n59 h ALA 66 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3n59 h ALA 66 CO 0.03 0.61 -0.29 -0.44 0.00 0.00 0.00 179.25 179.16 3n59 h ASP 67 N 0.42 0.33 0.10 0.00 3.32 -0.95 -3.02 116.42 116.62 3n59 h ASP 67 Ca -0.06 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3n59 h ASP 67 Cb 1.41 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3n59 h ASP 67 CO 0.16 0.62 -0.33 0.00 -1.72 0.00 0.00 179.24 177.97 3n59 n ALA 68 N -2.48 3.23 -3.74 3.45 0.00 -0.46 -4.97 120.51 115.54 3n59 n ALA 68 Ca -0.01 -0.52 -0.28 0.00 0.00 0.00 0.00 53.44 52.63 3n59 n ALA 68 Cb 0.41 -0.98 0.04 0.00 0.00 0.00 0.00 19.45 18.92 3n59 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n59 n ALA 69 N -0.25 -1.25 -2.77 0.00 0.00 -0.63 -4.99 120.51 110.62 3n59 n ALA 69 Ca 0.11 0.25 -0.37 0.00 0.00 0.00 0.00 53.44 53.44 3n59 n ALA 69 Cb 0.41 -4.63 -0.07 0.00 0.00 0.00 0.00 19.45 15.16 3n59 n ALA 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3n59 s GLU 70 N -6.45 3.82 0.74 0.00 2.02 -0.64 -4.64 118.70 113.55 3n59 s GLU 70 Ca 0.61 -0.05 -0.15 0.00 0.02 0.00 0.00 54.97 55.40 3n59 s GLU 70 Cb -0.30 -3.29 0.05 0.00 0.10 0.00 0.00 34.13 30.69 3n59 s GLU 70 CO 0.75 0.56 1.24 -1.25 0.02 0.00 0.00 175.26 176.59 3n59 s PRO 71 N -0.45 1.99 -0.07 0.39 0.04 -1.26 -4.72 135.00 130.92 3n59 s PRO 71 Ca 0.15 1.87 0.02 0.00 0.04 0.00 0.00 61.00 63.08 3n59 s PRO 71 Cb -0.12 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.63 3n59 s PRO 71 CO 0.04 -1.97 -0.12 0.08 0.04 0.00 0.00 177.00 175.07 3n59 s VAL 72 N -1.86 1.11 -0.34 -0.36 1.01 -0.56 -1.36 120.40 118.04 3n59 s VAL 72 Ca 0.77 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 3n59 s VAL 72 Cb -0.32 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.04 3n59 s VAL 72 CO 0.46 0.35 0.19 -0.63 0.00 0.00 0.00 175.10 175.47 3n59 s ILE 73 N 0.75 4.72 -0.12 2.22 1.01 0.70 -0.66 121.20 129.82 3n59 s ILE 73 Ca -0.13 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.01 3n59 s ILE 73 Cb -0.16 -3.49 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 3n59 s ILE 73 CO 0.03 -0.05 -0.21 -0.22 0.00 0.00 0.00 174.94 174.48 3n59 s LEU 74 N 1.61 2.23 -0.33 2.97 2.96 0.19 -0.69 118.68 127.62 3n59 s LEU 74 Ca 0.04 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.47 3n59 s LEU 74 Cb -0.18 -1.46 0.10 0.00 0.50 0.00 0.00 46.19 45.15 3n59 s LEU 74 CO 0.07 0.14 0.04 0.21 -1.32 0.00 0.00 176.35 175.49 3n59 s ASN 75 N 0.46 4.70 0.00 3.68 3.84 -0.45 -1.09 114.94 126.08 3n59 s ASN 75 Ca -0.14 -2.07 0.31 0.00 0.21 0.00 0.00 52.86 51.16 3n59 s ASN 75 Cb -0.17 -1.58 1.64 0.00 -0.55 0.00 0.00 41.25 40.59 3n59 s ASN 75 CO 0.06 -0.37 2.09 0.00 -2.79 0.00 0.00 177.10 176.09 3n59 n ALA 76 N 4.30 2.63 -0.93 1.71 0.00 -1.26 0.44 120.51 127.41 3n59 n ALA 76 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3n59 n ALA 76 Cb 0.42 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3n59 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n59 n GLY 77 N 1.14 3.20 0.24 0.00 0.00 -1.26 -2.43 105.19 106.07 3n59 n GLY 77 Ca 0.19 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 46.06 3n59 n GLY 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3n59 h GLY 78 N 0.00 0.00 2.00 -0.02 0.00 -1.95 -2.72 103.07 100.38 3n59 h GLY 78 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3n59 h GLY 78 CO 0.00 0.00 -0.04 1.41 0.00 0.00 0.00 176.54 177.91 3n59 h LEU 79 N 0.00 0.00 -0.79 3.11 3.38 -1.86 -2.88 115.31 116.27 3n59 h LEU 79 Ca -0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 3n59 h LEU 79 Cb 0.25 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.87 3n59 h LEU 79 CO 0.02 0.04 0.12 0.74 0.09 0.00 0.00 178.44 179.45 3n59 h THR 80 N 0.00 0.37 -0.01 0.22 2.02 -1.61 -0.19 112.91 113.71 3n59 h THR 80 Ca -0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3n59 h THR 80 Cb 0.16 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3n59 h THR 80 CO 0.01 0.03 -0.31 1.41 0.37 0.00 0.00 175.52 177.03 3n59 n HIS 81 N -5.27 0.00 0.00 3.16 8.25 -1.09 -1.49 115.22 118.79 3n59 n HIS 81 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 3n59 n HIS 81 Cb 0.54 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.55 3n59 n HIS 81 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3n59 n THR 82 N -0.52 0.00 -3.10 1.59 -2.24 -0.75 -4.80 114.28 104.46 3n59 n THR 82 Ca 0.11 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.48 3n59 n THR 82 Cb 0.37 -0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 68.01 3n59 n THR 82 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3n59 s SER 83 N -3.35 6.46 0.08 3.42 0.15 -0.16 -4.90 113.70 115.40 3n59 s SER 83 Ca 0.00 0.25 -0.05 0.00 0.70 0.00 0.00 55.95 56.85 3n59 s SER 83 Cb 0.00 -2.33 -0.27 0.00 -1.71 0.00 0.00 66.02 61.71 3n59 s SER 83 CO 0.00 -0.56 1.14 0.58 1.20 0.00 0.00 173.24 175.60 3n59 h VAL 84 N 5.63 1.47 -0.90 4.45 2.07 -1.96 -3.30 116.25 123.72 3n59 h VAL 84 Ca -0.26 -2.98 0.07 0.00 0.82 0.00 0.00 66.70 64.35 3n59 h VAL 84 Cb 1.11 2.91 -0.06 0.00 -1.52 0.00 0.00 31.29 33.73 3n59 h VAL 84 CO 0.83 0.87 0.58 0.00 0.02 0.00 0.00 177.57 179.87 3n59 h ALA 85 N 0.55 1.53 -0.27 1.67 0.00 -1.99 -0.44 119.26 120.32 3n59 h ALA 85 Ca -0.14 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 3n59 h ALA 85 Cb 1.96 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 3n59 h ALA 85 CO 0.21 0.33 -0.22 1.25 0.00 0.00 0.00 179.25 180.82 3n59 h LEU 86 N 1.00 0.66 -0.46 0.00 5.85 -1.96 -2.34 115.31 118.06 3n59 h LEU 86 Ca 0.39 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.71 3n59 h LEU 86 Cb 0.22 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3n59 h LEU 86 CO -0.15 0.97 0.19 -0.09 -0.34 0.00 0.00 178.44 179.02 3n59 h ARG 87 N 0.35 0.37 -0.31 1.25 2.43 -1.49 0.15 114.38 117.13 3n59 h ARG 87 Ca 0.05 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3n59 h ARG 87 Cb 0.77 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 3n59 h ARG 87 CO 0.06 0.24 0.05 -0.44 -1.51 0.00 0.00 179.97 178.37 3n59 h ASP 88 N 0.38 0.42 -0.21 -3.80 3.32 -1.03 0.12 116.42 115.62 3n59 h ASP 88 Ca 0.21 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 3n59 h ASP 88 Cb 0.19 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3n59 h ASP 88 CO -0.20 0.45 -0.16 0.00 -1.72 0.00 0.00 179.24 177.61 3n59 h ALA 89 N 1.61 0.30 0.00 3.45 0.00 -0.91 -3.28 119.26 120.43 3n59 h ALA 89 Ca 0.10 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3n59 h ALA 89 Cb 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3n59 h ALA 89 CO 0.00 0.20 -0.36 0.00 0.00 0.00 0.00 179.25 179.09 3n59 h ALA 91 N 1.64 1.14 0.00 0.00 0.00 -0.84 -2.30 119.26 118.90 3n59 h ALA 91 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3n59 h ALA 91 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3n59 h ALA 91 CO 0.05 0.04 0.00 1.49 0.00 0.00 0.00 179.25 180.83 3n59 h GLU 92 N 0.00 0.00 -6.45 0.00 4.81 -1.53 -3.45 114.58 107.96 3n59 h GLU 92 Ca -0.00 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.69 3n59 h GLU 92 Cb 0.20 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.59 3n59 h GLU 92 CO 0.00 0.00 0.81 -0.51 -0.73 0.00 0.00 179.01 178.59 3n59 s LEU 93 N -5.63 4.34 -0.07 1.64 1.43 -0.87 -4.90 118.68 114.62 3n59 s LEU 93 Ca 0.06 2.24 0.08 0.00 -1.03 0.00 0.00 54.13 55.49 3n59 s LEU 93 Cb 0.08 -3.57 -0.24 0.00 0.03 0.00 0.00 46.19 42.49 3n59 s LEU 93 CO 0.60 -0.72 0.54 -1.54 0.23 0.00 0.00 176.35 175.46 3n59 n SER 94 N 4.87 1.14 -4.84 2.29 3.41 -1.26 -4.91 113.62 114.32 3n59 n SER 94 Ca 0.13 0.33 -0.32 0.00 -0.26 0.00 0.00 58.87 58.76 3n59 n SER 94 Cb 0.43 -0.20 0.01 0.00 -0.26 0.00 0.00 64.21 64.19 3n59 n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n59 s ALA 95 N -2.58 2.94 0.68 7.33 0.00 -1.26 -5.00 121.76 123.86 3n59 s ALA 95 Ca -0.10 0.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.79 3n59 s ALA 95 Cb 0.08 -3.14 -0.00 0.00 0.00 0.00 0.00 23.12 20.06 3n59 s ALA 95 CO 0.81 -0.72 1.14 -2.30 0.00 0.00 0.00 175.76 174.69 3n59 n PRO 96 N -2.42 0.80 -4.05 0.00 -0.02 -1.26 -4.74 135.00 123.30 3n59 n PRO 96 Ca 0.07 0.33 -0.28 0.00 -2.02 0.00 0.00 63.50 61.60 3n59 n PRO 96 Cb 0.54 -2.38 -0.17 0.00 -0.02 0.00 0.00 33.50 31.47 3n59 n PRO 96 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3n59 s LEU 97 N -3.79 1.42 -0.21 2.45 2.96 -1.26 -1.49 118.68 118.76 3n59 s LEU 97 Ca 0.78 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 54.28 3n59 s LEU 97 Cb -0.37 -0.96 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 3n59 s LEU 97 CO 0.45 -0.07 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.74 3n59 s ILE 98 N 1.48 3.53 -0.04 6.68 -1.09 0.17 -0.14 121.20 131.79 3n59 s ILE 98 Ca 0.02 -0.45 -0.21 0.00 -2.23 0.00 0.00 60.65 57.78 3n59 s ILE 98 Cb -0.13 -2.60 -0.05 0.00 -1.58 0.00 0.00 42.46 38.10 3n59 s ILE 98 CO -0.07 0.42 0.61 -0.70 -1.23 0.00 0.00 174.94 173.97 3n59 s GLU 99 N 1.32 4.36 -0.07 2.79 2.12 -0.36 -0.64 118.70 128.23 3n59 s GLU 99 Ca 0.04 0.74 0.03 0.00 0.36 0.00 0.00 54.97 56.14 3n59 s GLU 99 Cb -0.14 -3.39 0.01 0.00 0.26 0.00 0.00 34.13 30.87 3n59 s GLU 99 CO -0.01 0.25 -0.16 0.08 -0.54 0.00 0.00 175.26 174.88 3n59 s VAL 100 N 0.20 1.44 -0.09 3.70 1.01 -0.25 -0.30 120.40 126.11 3n59 s VAL 100 Ca 0.32 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.66 3n59 s VAL 100 Cb -0.18 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.94 3n59 s VAL 100 CO 0.16 0.42 -0.21 -1.00 0.00 0.00 0.00 175.10 174.48 3n59 s HIS 101 N 0.44 2.28 0.00 5.22 3.76 0.20 -4.26 115.29 122.94 3n59 s HIS 101 Ca -0.13 -0.94 -0.25 0.00 -0.15 0.00 0.00 55.06 53.58 3n59 s HIS 101 Cb -0.15 -1.55 -0.16 0.00 1.11 0.00 0.00 32.58 31.82 3n59 s HIS 101 CO 0.05 -0.40 1.20 0.82 -0.85 0.00 0.00 174.74 175.56 3n59 h ILE 102 N 5.79 0.67 -4.23 0.60 2.04 -1.86 -1.81 117.51 118.71 3n59 h ILE 102 Ca -0.23 -0.62 -0.49 0.00 1.00 0.00 0.00 64.86 64.52 3n59 h ILE 102 Cb 1.22 0.98 0.04 0.00 -0.74 0.00 0.00 36.82 38.32 3n59 h ILE 102 CO 0.48 0.12 0.38 -0.94 0.00 0.00 0.00 178.15 178.19 3n59 s SER 103 N -5.08 6.26 -0.72 1.72 1.04 -1.26 -2.19 113.70 113.47 3n59 s SER 103 Ca -0.14 1.61 -0.26 0.00 0.48 0.00 0.00 55.95 57.63 3n59 s SER 103 Cb 0.02 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.64 3n59 s SER 103 CO 0.53 -0.84 1.55 0.21 0.98 0.00 0.00 173.24 175.67 3n59 s ASN 104 N -3.24 5.79 0.47 7.02 3.84 -1.26 -2.67 114.94 124.89 3n59 s ASN 104 Ca 0.59 -0.22 0.32 0.00 0.21 0.00 0.00 52.86 53.76 3n59 s ASN 104 Cb -0.12 -2.55 1.37 0.00 -0.55 0.00 0.00 41.25 39.41 3n59 s ASN 104 CO 0.38 -2.07 1.94 1.62 -2.79 0.00 0.00 177.10 176.18 3n59 h VAL 105 N 6.47 0.00 -0.00 -5.21 3.04 -1.92 -2.12 116.25 116.50 3n59 h VAL 105 Ca -0.22 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 3n59 h VAL 105 Cb 1.09 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 3n59 h VAL 105 CO 1.26 0.00 -0.46 1.41 -1.01 0.00 0.00 177.57 178.77 3n59 n HIS 106 N -2.81 0.00 1.18 3.17 8.25 -1.26 -3.55 115.22 120.21 3n59 n HIS 106 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 3n59 n HIS 106 Cb 0.24 -0.14 0.32 0.00 1.12 0.00 0.00 29.99 31.54 3n59 n HIS 106 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3n59 n ALA 107 N -0.98 2.51 -2.76 -1.41 0.00 -0.80 -4.95 120.51 112.13 3n59 n ALA 107 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3n59 n ALA 107 Cb 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3n59 n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3n59 n ARG 108 N 0.74 3.89 -1.70 0.00 1.74 -1.23 -5.10 116.66 115.00 3n59 n ARG 108 Ca 0.17 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.86 3n59 n ARG 108 Cb 0.47 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.95 3n59 n ARG 108 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3n59 n GLU 109 N 0.00 1.43 0.05 5.56 4.71 -1.26 -4.92 120.64 126.21 3n59 n GLU 109 Ca 0.00 0.53 0.03 0.00 -0.01 0.00 0.00 57.16 57.71 3n59 n GLU 109 Cb 0.00 -2.44 0.39 0.00 -1.01 0.00 0.00 31.44 28.39 3n59 n GLU 109 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 3n59 h GLU 110 N 1.13 0.42 0.00 3.49 4.81 -1.96 -2.28 114.58 120.19 3n59 h GLU 110 Ca -0.50 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 3n59 h GLU 110 Cb 1.32 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3n59 h GLU 110 CO 0.55 0.40 0.00 0.27 -0.73 0.00 0.00 179.01 179.50 3n59 h PHE 111 N 0.42 0.00 0.00 0.92 -5.15 -1.95 -1.36 116.94 109.81 3n59 h PHE 111 Ca 0.10 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.87 3n59 h PHE 111 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.34 3n59 h PHE 111 CO 0.00 0.00 -0.31 0.54 -2.00 0.00 0.00 178.31 176.54 3n59 n ARG 112 N -2.56 0.17 -0.04 6.09 1.74 -0.86 -3.94 116.66 117.26 3n59 n ARG 112 Ca 0.00 0.09 0.08 0.00 -0.77 0.00 0.00 57.85 57.25 3n59 n ARG 112 Cb 0.17 -1.64 0.40 0.00 -1.02 0.00 0.00 32.46 30.36 3n59 n ARG 112 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3n59 n ARG 113 N -1.91 1.30 -5.20 5.56 1.74 -0.51 -4.73 116.66 112.91 3n59 n ARG 113 Ca 0.05 -0.46 -0.30 0.00 -0.77 0.00 0.00 57.85 56.37 3n59 n ARG 113 Cb 0.40 -1.29 -0.16 0.00 -1.02 0.00 0.00 32.46 30.39 3n59 n ARG 113 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3n59 s HIS 114 N -1.89 2.20 -0.04 -1.55 2.46 -1.25 -5.06 115.29 110.15 3n59 s HIS 114 Ca 0.26 -0.47 0.03 0.00 0.47 0.00 0.00 55.06 55.34 3n59 s HIS 114 Cb 0.13 -1.42 0.00 0.00 -0.13 0.00 0.00 32.58 31.16 3n59 s HIS 114 CO 0.20 -0.08 -0.12 0.45 -2.47 0.00 0.00 174.74 172.72 3n59 s SER 115 N -0.46 1.66 0.43 9.88 0.15 -1.26 -4.27 113.70 119.83 3n59 s SER 115 Ca 0.06 -0.27 0.26 0.00 0.70 0.00 0.00 55.95 56.71 3n59 s SER 115 Cb -0.10 -0.55 0.72 0.00 -1.71 0.00 0.00 66.02 64.38 3n59 s SER 115 CO 0.00 0.08 1.74 1.88 1.20 0.00 0.00 173.24 178.14 3n59 h TYR 116 N 6.53 0.00 0.06 3.44 0.05 -1.57 -3.34 116.97 122.13 3n59 h TYR 116 Ca -0.33 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.13 3n59 h TYR 116 Cb 1.18 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.88 3n59 h TYR 116 CO 0.45 0.00 -1.79 -0.07 -1.05 0.00 0.00 178.16 175.71 3n59 h LEU 117 N 0.00 0.21 -0.54 3.88 3.38 -1.89 -3.41 115.31 116.95 3n59 h LEU 117 Ca 0.00 -0.44 0.11 0.00 0.09 0.00 0.00 57.88 57.64 3n59 h LEU 117 Cb 0.79 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.39 3n59 h LEU 117 CO 0.00 1.39 0.02 0.28 0.09 0.00 0.00 178.44 180.22 3n59 h SER 118 N 0.04 -0.19 -0.41 -0.43 0.02 -1.93 -1.92 113.55 108.73 3n59 h SER 118 Ca -0.33 0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.77 3n59 h SER 118 Cb 2.02 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 64.75 3n59 h SER 118 CO 0.09 -0.07 0.27 -0.65 -1.14 0.00 0.00 176.83 175.34 3n59 h PRO 119 N 0.14 0.48 -0.01 3.45 0.11 -1.79 -2.61 132.00 131.76 3n59 h PRO 119 Ca 0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3n59 h PRO 119 Cb 0.42 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.42 3n59 h PRO 119 CO -0.44 0.31 -0.58 0.44 -0.21 0.00 0.00 178.00 177.53 3n59 n ILE 120 N -4.48 0.00 -1.68 4.15 -6.64 -0.98 -4.93 119.36 104.80 3n59 n ILE 120 Ca 0.04 -0.09 -0.31 0.00 -1.77 0.00 0.00 62.75 60.61 3n59 n ILE 120 Cb 0.11 0.74 0.04 0.00 -1.44 0.00 0.00 39.64 39.09 3n59 n ILE 120 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3n59 s ALA 121 N -2.76 2.74 -0.07 -1.28 0.00 -0.76 -4.90 121.76 114.73 3n59 s ALA 121 Ca 0.15 0.11 -0.26 0.00 0.00 0.00 0.00 51.96 51.97 3n59 s ALA 121 Cb 0.18 -3.17 -0.21 0.00 0.00 0.00 0.00 23.12 19.91 3n59 s ALA 121 CO 0.67 -1.10 0.99 1.15 0.00 0.00 0.00 175.76 177.48 3n59 h THR 122 N -0.50 1.40 -4.09 0.00 2.02 -0.83 -3.48 112.91 107.43 3n59 h THR 122 Ca -0.44 -1.57 -0.14 0.00 0.77 0.00 0.00 66.41 65.03 3n59 h THR 122 Cb 1.21 2.42 -0.13 0.00 -1.74 0.00 0.00 68.15 69.91 3n59 h THR 122 CO 0.57 0.39 -0.41 -0.83 0.37 0.00 0.00 175.52 175.61 3n59 s GLY 123 N -3.57 0.76 -0.04 2.16 0.00 -1.16 -5.04 107.32 100.43 3n59 s GLY 123 Ca -0.16 -1.15 -0.00 0.00 0.00 0.00 0.00 44.72 43.41 3n59 s GLY 123 CO 0.63 -1.02 0.01 0.14 0.00 0.00 0.00 173.10 172.86 3n59 s VAL 124 N -4.02 0.16 -0.17 1.40 1.01 -1.26 -1.22 120.40 116.29 3n59 s VAL 124 Ca 0.23 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.35 3n59 s VAL 124 Cb 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.14 3n59 s VAL 124 CO 0.04 0.17 -0.15 -0.63 0.00 0.00 0.00 175.10 174.53 3n59 s ILE 125 N 1.33 2.65 -0.04 2.22 1.01 0.59 -4.97 121.20 123.98 3n59 s ILE 125 Ca -0.05 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.86 3n59 s ILE 125 Cb -0.13 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.21 3n59 s ILE 125 CO -0.02 0.51 -0.13 -0.69 0.00 0.00 0.00 174.94 174.61 3n59 s VAL 126 N 1.02 1.09 -0.11 2.92 1.01 -1.26 -0.63 120.40 124.43 3n59 s VAL 126 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3n59 s VAL 126 Cb -0.15 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.28 3n59 s VAL 126 CO -0.03 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.00 3n59 n GLY 127 N 3.36 0.49 1.62 4.51 0.00 -0.68 -4.85 105.19 109.63 3n59 n GLY 127 Ca -0.19 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.61 3n59 n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n59 n LEU 128 N -0.12 4.83 0.00 0.99 4.77 -1.24 -4.58 117.00 121.65 3n59 n LEU 128 Ca -0.01 -2.45 0.00 0.00 -0.03 0.00 0.00 56.01 53.52 3n59 n LEU 128 Cb 0.09 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 3n59 n LEU 128 CO 0.02 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 3n59 n GLY 129 N 1.15 0.89 0.21 -0.72 0.00 -0.93 -3.38 105.19 102.41 3n59 n GLY 129 Ca 0.26 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.57 3n59 n GLY 129 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3n59 h ILE 130 N 0.00 1.05 -0.37 -0.61 5.03 -1.89 -2.90 117.51 117.82 3n59 h ILE 130 Ca 0.00 -1.04 0.08 0.00 -0.12 0.00 0.00 64.86 63.77 3n59 h ILE 130 Cb 0.00 1.59 -0.02 0.00 -3.03 0.00 0.00 36.82 35.36 3n59 h ILE 130 CO 0.00 0.28 0.25 -0.61 -0.68 0.00 0.00 178.15 177.40 3n59 h GLN 131 N 0.00 0.16 -0.87 2.37 5.75 -1.98 -2.65 115.11 117.89 3n59 h GLN 131 Ca -0.00 -0.01 0.19 0.00 -0.15 0.00 0.00 58.65 58.68 3n59 h GLN 131 Cb 0.56 -0.04 -0.11 0.00 1.07 0.00 0.00 27.48 28.97 3n59 h GLN 131 CO 0.04 0.10 0.40 0.78 -2.65 0.00 0.00 178.83 177.50 3n59 h GLY 132 N 0.16 1.45 0.99 2.39 0.00 -1.61 0.14 103.07 106.59 3n59 h GLY 132 Ca 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3n59 h GLY 132 CO -0.02 -0.17 0.32 -0.97 0.00 0.00 0.00 176.54 175.70 3n59 h TYR 133 N 0.48 0.75 -0.15 5.60 -1.99 -1.69 -1.74 116.97 118.22 3n59 h TYR 133 Ca 0.51 -0.01 -0.16 0.00 2.00 0.00 0.00 58.73 61.08 3n59 h TYR 133 Cb 0.88 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 39.36 3n59 h TYR 133 CO -0.12 0.53 -0.56 -0.07 -0.00 0.00 0.00 178.16 177.93 3n59 h LEU 134 N 0.75 0.52 -0.80 3.88 3.38 -1.14 -1.94 115.31 119.97 3n59 h LEU 134 Ca 0.20 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 3n59 h LEU 134 Cb 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3n59 h LEU 134 CO -0.03 0.97 -0.24 -0.07 0.09 0.00 0.00 178.44 179.16 3n59 h LEU 135 N 0.36 0.64 -0.88 1.67 3.38 -0.75 -2.59 115.31 117.14 3n59 h LEU 135 Ca 0.00 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 3n59 h LEU 135 Cb 1.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3n59 h LEU 135 CO 0.10 0.87 -0.14 0.00 0.09 0.00 0.00 178.44 179.36 3n59 h ALA 136 N 1.18 1.06 -0.25 1.53 0.00 -1.10 -2.56 119.26 119.13 3n59 h ALA 136 Ca 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3n59 h ALA 136 Cb 0.71 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3n59 h ALA 136 CO 0.05 0.57 0.16 -0.07 0.00 0.00 0.00 179.25 179.97 3n59 h LEU 137 N 0.61 0.29 -0.87 0.00 3.38 -1.11 -2.67 115.31 114.93 3n59 h LEU 137 Ca 0.10 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3n59 h LEU 137 Cb 0.58 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3n59 h LEU 137 CO 0.04 0.22 0.05 -0.09 0.09 0.00 0.00 178.44 178.75 3n59 h ARG 138 N 0.33 0.89 -0.30 1.13 2.43 -1.36 -1.04 114.38 116.45 3n59 h ARG 138 Ca 0.09 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3n59 h ARG 138 Cb -0.02 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 3n59 h ARG 138 CO -0.02 0.85 0.12 -0.92 -1.51 0.00 0.00 179.97 178.50 3n59 h TYR 139 N 0.83 0.23 -0.11 2.20 3.20 -1.39 -1.43 116.97 120.51 3n59 h TYR 139 Ca 0.17 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 3n59 h TYR 139 Cb 0.43 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 3n59 h TYR 139 CO 0.03 0.11 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.20 3n59 h LEU 140 N 0.27 0.24 -0.63 2.82 3.38 -1.12 -2.95 115.31 117.32 3n59 h LEU 140 Ca 0.13 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 3n59 h LEU 140 Cb 0.08 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3n59 h LEU 140 CO -0.12 0.60 -0.38 0.00 0.09 0.00 0.00 178.44 178.64 3n59 h ALA 141 N 1.41 0.81 -0.00 1.53 0.00 -0.94 -1.92 119.26 120.14 3n59 h ALA 141 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3n59 h ALA 141 Cb 0.77 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3n59 h ALA 141 CO 0.06 0.65 -0.01 -1.91 0.00 0.00 0.00 179.25 178.04 3n59 n GLU 142 N -4.05 0.42 0.00 0.00 2.13 -0.56 -3.06 120.64 115.52 3n59 n GLU 142 Ca -0.02 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.80 3n59 n GLU 142 Cb 0.51 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.72 3n59 n GLU 142 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3n59 n HIS 143 N -1.28 0.00 0.21 4.31 8.25 -1.19 -5.10 115.22 120.42 3n59 n HIS 143 Ca 0.14 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.62 3n59 n HIS 143 Cb 0.25 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.46 3n59 n HIS 143 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31