#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h0s h LEU 3 N 0.00 0.81 -9.41 4.31 4.07 -1.95 -3.46 115.31 109.68 1h0s h LEU 3 Ca 0.00 -0.40 -0.56 0.00 0.08 0.00 0.00 57.88 57.00 1h0s h LEU 3 Cb 0.00 -0.23 -0.05 0.00 1.08 0.00 0.00 40.66 41.46 1h0s h LEU 3 CO 0.00 1.15 0.05 -0.63 -1.08 0.00 0.00 178.44 177.93 1h0s s ILE 4 N -4.19 5.01 -0.07 1.22 1.01 -1.26 -0.14 121.20 122.77 1h0s s ILE 4 Ca -0.09 1.36 0.03 0.00 0.00 0.00 0.00 60.65 61.95 1h0s s ILE 4 Cb 0.11 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 38.59 1h0s s ILE 4 CO 0.86 0.30 -0.16 -0.69 0.00 0.00 0.00 174.94 175.25 1h0s s VAL 5 N 0.50 1.42 -0.10 2.92 1.01 -0.31 -4.34 120.40 121.51 1h0s s VAL 5 Ca 0.35 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 1h0s s VAL 5 Cb -0.18 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1h0s s VAL 5 CO 0.17 0.42 0.61 0.20 0.00 0.00 0.00 175.10 176.50 1h0s s ASN 6 N 0.43 6.84 -0.24 3.32 0.01 -0.85 -1.25 114.94 123.21 1h0s s ASN 6 Ca -0.13 1.01 -0.01 0.00 -0.71 0.00 0.00 52.86 53.02 1h0s s ASN 6 Cb -0.15 -2.36 0.03 0.00 0.41 0.00 0.00 41.25 39.18 1h0s s ASN 6 CO 0.05 -0.09 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.77 1h0s s VAL 7 N 0.85 2.66 -0.18 1.60 1.01 0.15 -0.28 120.40 126.22 1h0s s VAL 7 Ca 0.32 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1h0s s VAL 7 Cb -0.16 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.89 1h0s s VAL 7 CO 0.14 0.22 -0.20 -0.63 0.00 0.00 0.00 175.10 174.64 1h0s s ILE 8 N 1.29 2.04 -0.14 2.22 1.01 0.07 -1.07 121.20 126.62 1h0s s ILE 8 Ca -0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.68 1h0s s ILE 8 Cb -0.16 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1h0s s ILE 8 CO -0.06 0.54 0.01 0.20 0.00 0.00 0.00 174.94 175.63 1h0s s ASN 9 N 1.29 5.23 0.00 3.58 0.01 0.17 -1.16 114.94 124.06 1h0s s ASN 9 Ca 0.05 0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.24 1h0s s ASN 9 Cb -0.13 -1.73 0.00 0.00 0.41 0.00 0.00 41.25 39.80 1h0s s ASN 9 CO -0.13 0.25 0.00 0.61 -1.51 0.00 0.00 177.10 176.33 1h0s n GLY 10 N 2.98 1.52 3.62 0.66 0.00 0.53 -1.48 105.19 113.02 1h0s n GLY 10 Ca -0.18 -1.96 -0.46 0.00 0.00 0.00 0.00 46.02 43.43 1h0s n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1h0s n PRO 11 N 0.00 1.55 -0.38 1.61 -0.02 -1.13 -2.53 135.00 134.11 1h0s n PRO 11 Ca 0.00 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1h0s n PRO 11 Cb 0.00 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1h0s n PRO 11 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1h0s n ASN 12 N 1.77 0.00 0.16 2.55 3.02 -1.26 -4.26 115.26 117.24 1h0s n ASN 12 Ca 0.12 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.80 1h0s n ASN 12 Cb 0.29 -0.05 0.45 0.00 -0.61 0.00 0.00 39.78 39.86 1h0s n ASN 12 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1h0s h LEU 13 N 0.00 0.00 -0.48 3.41 3.38 -1.86 -1.83 115.31 117.93 1h0s h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h0s h LEU 13 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1h0s h LEU 13 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1h0s n GLY 14 N 0.62 -1.08 0.76 0.83 0.00 -1.26 -3.09 105.19 101.97 1h0s n GLY 14 Ca 0.03 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1h0s n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h0s n ARG 15 N -1.93 2.02 -1.62 1.61 5.12 -0.69 -4.66 116.66 116.52 1h0s n ARG 15 Ca 0.02 -1.52 -0.47 0.00 -1.93 0.00 0.00 57.85 53.95 1h0s n ARG 15 Cb 0.17 -1.46 -0.03 0.00 -1.16 0.00 0.00 32.46 29.98 1h0s n ARG 15 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1h0s n LEU 16 N 0.78 2.18 0.00 0.55 4.77 -1.18 -2.65 117.00 121.45 1h0s n LEU 16 Ca 0.17 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.29 1h0s n LEU 16 Cb 0.46 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 1h0s n LEU 16 CO 0.15 -0.97 0.00 0.61 -1.33 0.00 0.00 177.39 175.85 1h0s n GLY 17 N 2.06 0.81 0.00 -0.72 0.00 -1.15 -3.97 105.19 102.22 1h0s n GLY 17 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1h0s n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h0s n ARG 18 N -2.26 0.34 -0.19 1.61 3.00 -1.09 -4.71 116.66 113.35 1h0s n ARG 18 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.85 57.88 1h0s n ARG 18 Cb 0.00 -0.03 0.30 0.00 0.00 0.00 0.00 32.46 32.74 1h0s n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1h0s h ARG 19 N 0.00 0.85 0.08 5.56 3.08 -1.83 -3.54 114.38 118.57 1h0s h ARG 19 Ca 0.00 -0.05 -0.31 0.00 0.07 0.00 0.00 59.98 59.68 1h0s h ARG 19 Cb 0.00 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 1h0s h ARG 19 CO 0.00 0.56 -1.72 0.41 -1.07 0.00 0.00 179.97 178.15 1h0s n GLY 26 N -1.43 -0.67 3.69 0.04 0.00 -1.26 -5.12 105.19 100.44 1h0s n GLY 26 Ca 0.09 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1h0s n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h0s s THR 27 N -2.48 3.63 0.71 2.61 2.01 -1.26 -4.59 115.64 116.27 1h0s s THR 27 Ca -0.25 1.02 -0.10 0.00 0.31 0.00 0.00 61.69 62.67 1h0s s THR 27 Cb 0.06 -3.65 0.04 0.00 0.01 0.00 0.00 72.50 68.96 1h0s s THR 27 CO 0.70 -0.00 1.07 0.42 -0.69 0.00 0.00 174.62 176.11 1h0s s THR 28 N 2.46 2.91 0.19 -0.82 -4.23 -1.26 -2.91 115.64 111.98 1h0s s THR 28 Ca 0.65 0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 61.18 1h0s s THR 28 Cb -0.32 -3.27 0.11 0.00 1.34 0.00 0.00 72.50 70.36 1h0s s THR 28 CO 0.27 -0.33 1.84 -0.74 -0.54 0.00 0.00 174.62 175.12 1h0s h HIS 29 N -0.67 0.83 -0.78 3.99 2.76 -1.82 -0.50 115.15 118.97 1h0s h HIS 29 Ca -0.45 0.01 0.12 0.00 -2.20 0.00 0.00 60.37 57.85 1h0s h HIS 29 Cb 1.29 -0.28 -0.09 0.00 1.55 0.00 0.00 27.41 29.88 1h0s h HIS 29 CO 0.42 0.55 0.38 -0.44 -1.30 0.00 0.00 177.93 177.53 1h0s h ASP 30 N 0.87 0.45 -0.54 3.26 3.32 -1.94 -0.08 116.42 121.76 1h0s h ASP 30 Ca 0.23 0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.25 1h0s h ASP 30 Cb -0.05 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1h0s h ASP 30 CO -0.05 0.22 -0.12 -0.08 -1.72 0.00 0.00 179.24 177.49 1h0s h GLU 31 N 0.58 1.04 -0.26 3.56 4.57 -1.84 -1.34 114.58 120.88 1h0s h GLU 31 Ca 0.41 -0.39 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1h0s h GLU 31 Cb 0.53 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 1h0s h GLU 31 CO -0.33 1.08 0.16 1.25 -1.18 0.00 0.00 179.01 179.99 1h0s h LEU 32 N 0.91 0.27 -0.40 1.64 5.85 -0.52 -0.40 115.31 122.67 1h0s h LEU 32 Ca 0.14 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.93 1h0s h LEU 32 Cb 0.70 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 1h0s h LEU 32 CO 0.05 0.20 -0.04 0.58 -0.34 0.00 0.00 178.44 178.89 1h0s h VAL 33 N 0.34 0.66 -0.47 1.05 2.07 -0.67 -1.07 116.25 118.16 1h0s h VAL 33 Ca 0.10 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.65 1h0s h VAL 33 Cb -0.02 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1h0s h VAL 33 CO -0.04 0.01 0.21 0.00 0.02 0.00 0.00 177.57 177.78 1h0s h ALA 34 N 1.37 0.59 -0.48 1.67 0.00 -0.72 -0.31 119.26 121.38 1h0s h ALA 34 Ca 0.20 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1h0s h ALA 34 Cb 0.29 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1h0s h ALA 34 CO -0.36 -0.15 0.31 -0.07 0.00 0.00 0.00 179.25 178.97 1h0s h LEU 35 N 0.42 0.56 -0.35 0.00 3.38 -0.80 -1.99 115.31 116.54 1h0s h LEU 35 Ca 0.21 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1h0s h LEU 35 Cb 0.16 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1h0s h LEU 35 CO -0.17 0.42 0.14 0.40 0.09 0.00 0.00 178.44 179.32 1h0s h ILE 36 N 0.65 1.19 -0.61 1.22 2.04 -0.86 -2.00 117.51 119.15 1h0s h ILE 36 Ca 0.18 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.47 1h0s h ILE 36 Cb -0.05 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1h0s h ILE 36 CO -0.04 0.21 0.38 -0.33 0.00 0.00 0.00 178.15 178.37 1h0s h GLU 37 N 0.42 0.73 -0.47 2.37 5.08 -0.96 0.48 114.58 122.23 1h0s h GLU 37 Ca 0.12 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1h0s h GLU 37 Cb 0.20 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1h0s h GLU 37 CO -0.01 0.48 0.16 -0.09 -1.00 0.00 0.00 179.01 178.56 1h0s h ARG 38 N 0.75 0.72 -0.49 2.33 2.43 -1.25 -1.57 114.38 117.29 1h0s h ARG 38 Ca 0.24 -0.15 -0.13 0.00 -0.81 0.00 0.00 59.98 59.14 1h0s h ARG 38 Cb 0.00 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1h0s h ARG 38 CO -0.09 0.67 -0.19 1.49 -1.51 0.00 0.00 179.97 180.33 1h0s h GLU 39 N 0.62 1.00 -0.52 0.20 4.57 -1.01 -2.19 114.58 117.25 1h0s h GLU 39 Ca 0.15 -0.41 -0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1h0s h GLU 39 Cb 0.24 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 1h0s h GLU 39 CO -0.01 1.09 0.33 0.00 -1.18 0.00 0.00 179.01 179.24 1h0s h ALA 40 N 0.90 0.66 -0.70 2.92 0.00 -0.70 -1.60 119.26 120.75 1h0s h ALA 40 Ca 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1h0s h ALA 40 Cb 0.77 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1h0s h ALA 40 CO 0.06 0.14 0.41 0.00 0.00 0.00 0.00 179.25 179.86 1h0s h ALA 41 N 1.17 0.90 -0.59 0.00 0.00 -1.13 0.48 119.26 120.08 1h0s h ALA 41 Ca 0.19 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1h0s h ALA 41 Cb -0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1h0s h ALA 41 CO -0.04 0.39 0.39 1.49 0.00 0.00 0.00 179.25 181.48 1h0s h GLU 42 N 0.96 0.54 -0.01 0.00 4.81 -0.88 -2.52 114.58 117.47 1h0s h GLU 42 Ca 0.25 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1h0s h GLU 42 Cb -0.00 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1h0s h GLU 42 CO -0.04 0.36 -0.16 1.28 -0.73 0.00 0.00 179.01 179.72 1h0s n LEU 43 N -4.48 1.25 0.00 1.64 4.77 -0.37 -4.94 117.00 114.88 1h0s n LEU 43 Ca 0.08 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1h0s n LEU 43 Cb 0.25 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1h0s n LEU 43 CO 0.34 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1h0s n GLY 44 N 1.28 0.41 3.82 -0.72 0.00 -0.64 -4.97 105.19 104.36 1h0s n GLY 44 Ca 0.15 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 1h0s n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h0s s LEU 45 N 0.00 3.24 -0.16 0.99 1.43 0.02 -4.80 118.68 119.41 1h0s s LEU 45 Ca 0.00 -0.91 0.01 0.00 -1.03 0.00 0.00 54.13 52.20 1h0s s LEU 45 Cb 0.00 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1h0s s LEU 45 CO 0.00 -0.64 -0.16 -0.75 0.23 0.00 0.00 176.35 175.03 1h0s s LYS 46 N -4.05 2.47 -0.16 1.70 2.20 0.79 -3.67 119.74 119.03 1h0s s LYS 46 Ca 0.45 -0.63 -0.09 0.00 -0.36 0.00 0.00 55.97 55.34 1h0s s LYS 46 Cb -0.00 -2.22 -0.05 0.00 -1.51 0.00 0.00 37.83 34.05 1h0s s LYS 46 CO 0.25 -0.23 0.16 0.00 -0.36 0.00 0.00 175.35 175.17 1h0s s ALA 47 N 1.44 3.76 -0.34 3.13 0.00 -1.26 -1.16 121.76 127.31 1h0s s ALA 47 Ca 0.05 -0.64 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 1h0s s ALA 47 Cb -0.13 -2.12 0.06 0.00 0.00 0.00 0.00 23.12 20.94 1h0s s ALA 47 CO -0.11 0.34 0.09 0.08 0.00 0.00 0.00 175.76 176.16 1h0s s VAL 48 N -0.21 3.36 -0.19 0.00 1.01 -0.38 -4.90 120.40 119.09 1h0s s VAL 48 Ca 0.12 -1.46 -0.05 0.00 0.00 0.00 0.00 61.98 60.59 1h0s s VAL 48 Cb -0.12 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 1h0s s VAL 48 CO 0.01 -0.28 0.01 -0.69 0.00 0.00 0.00 175.10 174.15 1h0s s VAL 49 N 1.28 4.18 0.03 2.92 1.01 -1.26 -0.67 120.40 127.90 1h0s s VAL 49 Ca -0.01 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1h0s s VAL 49 Cb -0.21 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1h0s s VAL 49 CO -0.00 0.45 -0.09 -0.13 0.00 0.00 0.00 175.10 175.33 1h0s s ARG 50 N 0.68 0.59 -0.01 2.72 0.52 -0.23 -4.98 118.95 118.24 1h0s s ARG 50 Ca 0.00 -0.66 0.01 0.00 -0.52 0.00 0.00 55.73 54.56 1h0s s ARG 50 Cb -0.14 -0.46 0.00 0.00 0.52 0.00 0.00 34.95 34.88 1h0s s ARG 50 CO 0.02 0.10 -0.02 -1.14 0.02 0.00 0.00 175.30 174.28 1h0s s GLN 51 N -1.23 0.24 -0.03 3.54 -0.44 -1.26 -0.66 119.66 119.83 1h0s s GLN 51 Ca -0.05 -0.06 -0.13 0.00 -2.50 0.00 0.00 55.36 52.61 1h0s s GLN 51 Cb -0.08 -0.28 0.02 0.00 -1.64 0.00 0.00 33.01 31.03 1h0s s GLN 51 CO 0.01 0.02 0.28 0.45 0.50 0.00 0.00 175.29 176.55 1h0s s SER 52 N 0.16 -0.18 0.00 6.67 0.15 -0.55 -4.99 113.70 114.97 1h0s s SER 52 Ca -0.01 0.12 0.27 0.00 0.70 0.00 0.00 55.95 57.03 1h0s s SER 52 Cb -0.04 0.34 0.86 0.00 -1.71 0.00 0.00 66.02 65.48 1h0s s SER 52 CO -0.00 -0.38 1.63 0.47 1.20 0.00 0.00 173.24 176.16 1h0s n ASP 53 N 1.55 1.41 -4.56 5.45 8.00 -1.26 -2.82 116.55 124.32 1h0s n ASP 53 Ca -0.20 -1.29 -0.40 0.00 0.71 0.00 0.00 54.79 53.61 1h0s n ASP 53 Cb 0.56 0.07 -0.10 0.00 -0.02 0.00 0.00 41.12 41.62 1h0s n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1h0s s SER 54 N -2.20 6.09 0.21 -2.24 0.15 -1.26 -4.71 113.70 109.73 1h0s s SER 54 Ca 0.32 -0.20 -0.09 0.00 0.70 0.00 0.00 55.95 56.68 1h0s s SER 54 Cb 0.20 -2.15 0.27 0.00 -1.71 0.00 0.00 66.02 62.63 1h0s s SER 54 CO 0.41 -0.19 1.76 -0.08 1.20 0.00 0.00 173.24 176.34 1h0s h GLU 55 N 8.42 0.46 -0.96 5.44 4.81 -2.00 -1.70 114.58 129.05 1h0s h GLU 55 Ca -0.32 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.91 1h0s h GLU 55 Cb 1.17 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.39 1h0s h GLU 55 CO 0.62 0.30 0.63 0.00 -0.73 0.00 0.00 179.01 179.84 1h0s h ALA 56 N 1.40 1.35 -0.40 2.92 0.00 -1.99 -0.30 119.26 122.24 1h0s h ALA 56 Ca 0.30 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1h0s h ALA 56 Cb 0.33 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1h0s h ALA 56 CO -0.27 0.57 -0.01 0.37 0.00 0.00 0.00 179.25 179.91 1h0s h GLN 57 N 1.25 0.71 -0.55 0.00 5.75 -1.80 -2.12 115.11 118.35 1h0s h GLN 57 Ca 0.37 -0.23 0.02 0.00 -0.15 0.00 0.00 58.65 58.65 1h0s h GLN 57 Cb -0.06 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.40 1h0s h GLN 57 CO -0.10 0.81 0.35 -0.07 -2.65 0.00 0.00 178.83 177.17 1h0s h LEU 58 N 0.53 0.59 -0.78 -2.39 3.38 -0.81 -2.08 115.31 113.75 1h0s h LEU 58 Ca 0.11 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.16 1h0s h LEU 58 Cb 0.49 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 1h0s h LEU 58 CO 0.02 0.42 0.44 -0.07 0.09 0.00 0.00 178.44 179.34 1h0s h LEU 59 N 0.71 0.62 -0.50 1.67 3.38 -0.93 -1.49 115.31 118.77 1h0s h LEU 59 Ca 0.21 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 1h0s h LEU 59 Cb -0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1h0s h LEU 59 CO -0.07 0.37 0.11 -0.78 0.09 0.00 0.00 178.44 178.16 1h0s h ASP 60 N 0.75 0.76 -0.91 -0.43 3.58 -0.87 0.20 116.42 119.49 1h0s h ASP 60 Ca 0.37 -0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 1h0s h ASP 60 Cb 0.32 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 1h0s h ASP 60 CO -0.24 0.80 0.55 -0.50 -2.88 0.00 0.00 179.24 176.98 1h0s h TRP 61 N 0.68 1.20 -0.49 0.28 6.55 -1.10 -0.82 115.95 122.25 1h0s h TRP 61 Ca 0.15 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.89 1h0s h TRP 61 Cb 0.34 -0.39 -0.02 0.00 -0.86 0.00 0.00 29.16 28.23 1h0s h TRP 61 CO 0.02 0.79 -0.09 0.82 -1.05 0.00 0.00 178.44 178.93 1h0s h ILE 62 N 1.26 1.27 -0.71 1.49 1.08 -0.98 -2.21 117.51 118.71 1h0s h ILE 62 Ca 0.33 -1.22 0.06 0.00 -0.39 0.00 0.00 64.86 63.64 1h0s h ILE 62 Cb -0.06 1.05 -0.06 0.00 -3.07 0.00 0.00 36.82 34.68 1h0s h ILE 62 CO -0.06 0.42 0.41 0.45 -0.69 0.00 0.00 178.15 178.68 1h0s h HIS 63 N 0.79 0.75 -0.56 1.37 3.86 -0.58 -0.44 115.15 120.34 1h0s h HIS 63 Ca 0.13 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.31 1h0s h HIS 63 Cb 0.64 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 1h0s h HIS 63 CO 0.05 0.37 0.16 1.96 0.86 0.00 0.00 177.93 181.32 1h0s h GLN 64 N 0.75 0.88 -0.32 2.45 4.20 -0.94 -0.85 115.11 121.29 1h0s h GLN 64 Ca 0.31 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1h0s h GLN 64 Cb 0.17 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1h0s h GLN 64 CO -0.18 0.81 0.05 0.00 -0.67 0.00 0.00 178.83 178.84 1h0s h ALA 65 N 1.03 1.49 -0.23 3.87 0.00 -0.80 -0.85 119.26 123.77 1h0s h ALA 65 Ca 0.18 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1h0s h ALA 65 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1h0s h ALA 65 CO -0.00 0.37 -0.01 0.00 0.00 0.00 0.00 179.25 179.61 1h0s h ALA 66 N 1.60 0.31 -0.25 0.00 0.00 -0.56 -0.86 119.26 119.49 1h0s h ALA 66 Ca 0.11 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1h0s h ALA 66 Cb 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1h0s h ALA 66 CO 0.00 0.05 -0.15 -0.44 0.00 0.00 0.00 179.25 178.71 1h0s h ASP 67 N 0.17 0.42 0.29 0.00 3.32 -0.96 -2.69 116.42 116.97 1h0s h ASP 67 Ca 0.06 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1h0s h ASP 67 Cb 0.44 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1h0s h ASP 67 CO 0.01 0.59 -0.16 0.00 -1.72 0.00 0.00 179.24 177.97 1h0s n ALA 68 N -2.48 2.87 -3.79 3.45 0.00 -0.34 -4.96 120.51 115.25 1h0s n ALA 68 Ca 0.00 -0.32 -0.26 0.00 0.00 0.00 0.00 53.44 52.86 1h0s n ALA 68 Cb 0.33 -1.25 0.04 0.00 0.00 0.00 0.00 19.45 18.56 1h0s n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h0s n ALA 69 N -0.79 -1.59 -2.77 0.00 0.00 -0.41 -4.98 120.51 109.97 1h0s n ALA 69 Ca 0.14 0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 1h0s n ALA 69 Cb 0.31 -3.55 -0.08 0.00 0.00 0.00 0.00 19.45 16.13 1h0s n ALA 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1h0s s GLU 70 N -6.31 3.09 0.71 0.00 2.02 -0.72 -4.67 118.70 112.83 1h0s s GLU 70 Ca 0.38 -0.41 -0.13 0.00 0.02 0.00 0.00 54.97 54.84 1h0s s GLU 70 Cb -0.19 -2.89 0.03 0.00 0.10 0.00 0.00 34.13 31.18 1h0s s GLU 70 CO 0.81 0.68 1.10 -1.25 0.02 0.00 0.00 175.26 176.62 1h0s s PRO 71 N -1.37 2.55 -0.04 0.39 0.04 -1.26 -4.63 135.00 130.67 1h0s s PRO 71 Ca 0.19 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.51 1h0s s PRO 71 Cb -0.12 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.51 1h0s s PRO 71 CO 0.09 -1.43 -0.07 0.08 0.04 0.00 0.00 177.00 175.71 1h0s s VAL 72 N -2.63 0.70 -0.26 -0.36 1.01 -0.62 -2.00 120.40 116.23 1h0s s VAL 72 Ca 0.64 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 62.30 1h0s s VAL 72 Cb -0.19 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1h0s s VAL 72 CO 0.49 0.25 0.10 -0.63 0.00 0.00 0.00 175.10 175.31 1h0s s ILE 73 N 0.71 4.55 -0.13 2.22 1.01 0.62 -1.07 121.20 129.10 1h0s s ILE 73 Ca -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1h0s s ILE 73 Cb -0.14 -3.16 0.02 0.00 0.01 0.00 0.00 42.46 39.20 1h0s s ILE 73 CO 0.01 0.29 -0.13 -0.22 0.00 0.00 0.00 174.94 174.89 1h0s s LEU 74 N 1.64 1.57 -0.50 2.97 2.96 -0.08 -0.75 118.68 126.50 1h0s s LEU 74 Ca 0.06 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 1h0s s LEU 74 Cb -0.15 -1.09 0.13 0.00 0.50 0.00 0.00 46.19 45.58 1h0s s LEU 74 CO 0.05 -0.06 0.29 0.21 -1.32 0.00 0.00 176.35 175.52 1h0s s ASN 75 N 1.47 5.14 0.00 3.68 3.84 -0.31 -1.67 114.94 127.09 1h0s s ASN 75 Ca 0.03 -2.44 0.18 0.00 0.21 0.00 0.00 52.86 50.85 1h0s s ASN 75 Cb -0.13 -1.81 1.07 0.00 -0.55 0.00 0.00 41.25 39.84 1h0s s ASN 75 CO -0.09 -0.44 1.68 0.00 -2.79 0.00 0.00 177.10 175.46 1h0s n ALA 76 N 4.02 2.59 -0.86 1.71 0.00 -1.26 -0.34 120.51 126.37 1h0s n ALA 76 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1h0s n ALA 76 Cb 0.39 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1h0s n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h0s n GLY 77 N 0.76 2.26 0.32 0.00 0.00 -1.26 -2.38 105.19 104.88 1h0s n GLY 77 Ca 0.14 -0.42 0.16 0.00 0.00 0.00 0.00 46.02 45.89 1h0s n GLY 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1h0s h GLY 78 N 0.00 0.00 2.00 -0.02 0.00 -1.93 -1.31 103.07 101.81 1h0s h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1h0s h GLY 78 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 1h0s h LEU 79 N 0.00 0.00 -0.86 3.11 3.38 -1.84 -2.75 115.31 116.35 1h0s h LEU 79 Ca 0.04 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.21 1h0s h LEU 79 Cb 0.25 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.89 1h0s h LEU 79 CO -0.00 0.00 0.37 0.74 0.09 0.00 0.00 178.44 179.64 1h0s h THR 80 N 0.00 0.54 0.00 0.22 2.02 -1.32 -1.40 112.91 112.97 1h0s h THR 80 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1h0s h THR 80 Cb 0.35 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1h0s h THR 80 CO 0.00 0.08 -0.64 1.41 0.37 0.00 0.00 175.52 176.74 1h0s n HIS 81 N -5.02 0.10 0.00 3.16 8.25 -1.04 -1.60 115.22 119.08 1h0s n HIS 81 Ca 0.20 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1h0s n HIS 81 Cb 0.57 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.38 1h0s n HIS 81 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1h0s n THR 82 N -1.64 0.00 -3.33 1.59 -2.24 -0.99 -4.81 114.28 102.87 1h0s n THR 82 Ca 0.05 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.39 1h0s n THR 82 Cb 0.36 -0.39 -0.08 0.00 -2.10 0.00 0.00 70.33 68.13 1h0s n THR 82 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1h0s s SER 83 N -1.86 6.17 0.15 3.42 0.15 -0.56 -4.90 113.70 116.27 1h0s s SER 83 Ca 0.00 -1.01 -0.11 0.00 0.70 0.00 0.00 55.95 55.53 1h0s s SER 83 Cb 0.00 -2.21 -0.01 0.00 -1.71 0.00 0.00 66.02 62.09 1h0s s SER 83 CO 0.00 -0.65 1.53 0.58 1.20 0.00 0.00 173.24 175.90 1h0s h VAL 84 N 5.75 1.27 -0.79 4.45 2.07 -1.96 -3.08 116.25 123.96 1h0s h VAL 84 Ca -0.27 -1.40 0.09 0.00 0.82 0.00 0.00 66.70 65.94 1h0s h VAL 84 Cb 1.11 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 31.99 1h0s h VAL 84 CO 0.85 0.48 0.44 0.00 0.02 0.00 0.00 177.57 179.37 1h0s h ALA 85 N 0.84 1.11 -0.31 1.67 0.00 -1.98 -0.49 119.26 120.10 1h0s h ALA 85 Ca 0.10 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1h0s h ALA 85 Cb 0.81 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1h0s h ALA 85 CO 0.07 0.08 -0.08 1.25 0.00 0.00 0.00 179.25 180.57 1h0s h LEU 86 N 0.76 0.61 -0.37 0.00 5.85 -1.94 -1.73 115.31 118.49 1h0s h LEU 86 Ca 0.38 -0.37 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1h0s h LEU 86 Cb 0.34 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 1h0s h LEU 86 CO -0.24 0.84 -0.30 -0.09 -0.34 0.00 0.00 178.44 178.31 1h0s h ARG 87 N 0.38 -0.24 -0.81 1.25 2.43 -1.33 -1.66 114.38 114.39 1h0s h ARG 87 Ca 0.08 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1h0s h ARG 87 Cb 0.57 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.13 1h0s h ARG 87 CO 0.03 -0.16 0.54 -0.44 -1.51 0.00 0.00 179.97 178.43 1h0s h ASP 88 N -0.24 0.92 -0.76 -3.80 3.32 -0.94 0.58 116.42 115.50 1h0s h ASP 88 Ca 0.17 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1h0s h ASP 88 Cb 0.52 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1h0s h ASP 88 CO -0.50 0.66 0.35 0.00 -1.72 0.00 0.00 179.24 178.03 1h0s h ALA 89 N 1.50 0.99 0.00 3.45 0.00 -0.86 -2.79 119.26 121.55 1h0s h ALA 89 Ca 0.30 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1h0s h ALA 89 Cb -0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1h0s h ALA 89 CO -0.07 0.56 -0.37 0.00 0.00 0.00 0.00 179.25 179.37 1h0s h ALA 91 N 1.63 1.12 0.00 0.00 0.00 -0.62 -1.77 119.26 119.63 1h0s h ALA 91 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1h0s h ALA 91 Cb 0.71 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1h0s h ALA 91 CO 0.05 0.03 0.00 0.93 0.00 0.00 0.00 179.25 180.25 1h0s h GLU 92 N 0.00 0.00 -6.80 0.00 5.08 -1.56 -3.46 114.58 107.84 1h0s h GLU 92 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1h0s h GLU 92 Cb 0.14 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.45 1h0s h GLU 92 CO 0.00 0.00 0.71 -0.51 -1.00 0.00 0.00 179.01 178.22 1h0s s LEU 93 N -5.19 4.40 -0.12 1.33 1.43 -0.67 -4.87 118.68 114.99 1h0s s LEU 93 Ca 0.07 2.68 0.17 0.00 -1.03 0.00 0.00 54.13 56.03 1h0s s LEU 93 Cb 0.09 -3.63 -0.24 0.00 0.03 0.00 0.00 46.19 42.44 1h0s s LEU 93 CO 0.58 -0.65 0.32 -1.54 0.23 0.00 0.00 176.35 175.29 1h0s n SER 94 N 1.73 0.29 -4.94 2.29 3.41 -1.26 -4.95 113.62 110.18 1h0s n SER 94 Ca 0.04 0.14 -0.25 0.00 -0.26 0.00 0.00 58.87 58.54 1h0s n SER 94 Cb 0.41 0.76 0.06 0.00 -0.26 0.00 0.00 64.21 65.17 1h0s n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h0s s ALA 95 N -2.65 3.33 0.53 7.33 0.00 -1.26 -5.03 121.76 124.01 1h0s s ALA 95 Ca -0.08 -1.01 -0.22 0.00 0.00 0.00 0.00 51.96 50.65 1h0s s ALA 95 Cb 0.07 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.66 1h0s s ALA 95 CO 0.83 -1.16 1.35 -2.14 0.00 0.00 0.00 175.76 174.64 1h0s s PRO 96 N -5.13 3.22 -0.19 0.00 0.02 -1.26 -4.81 135.00 126.86 1h0s s PRO 96 Ca 0.59 2.21 -0.00 0.00 0.02 0.00 0.00 61.00 63.83 1h0s s PRO 96 Cb -0.11 -2.30 0.01 0.00 0.02 0.00 0.00 34.50 32.13 1h0s s PRO 96 CO 0.43 -1.12 -0.16 -1.17 -0.33 0.00 0.00 177.00 174.65 1h0s s LEU 97 N -3.43 2.31 -0.24 -5.54 2.96 -1.26 -1.59 118.68 111.89 1h0s s LEU 97 Ca 0.70 -0.59 -0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1h0s s LEU 97 Cb -0.40 -1.54 0.00 0.00 0.50 0.00 0.00 46.19 44.76 1h0s s LEU 97 CO 0.47 -0.00 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.84 1h0s s ILE 98 N 1.31 3.30 -0.04 6.68 -1.09 -0.23 -0.45 121.20 130.67 1h0s s ILE 98 Ca 0.05 -0.67 -0.27 0.00 -2.23 0.00 0.00 60.65 57.53 1h0s s ILE 98 Cb -0.13 -2.58 -0.03 0.00 -1.58 0.00 0.00 42.46 38.14 1h0s s ILE 98 CO -0.10 0.32 0.84 -0.70 -1.23 0.00 0.00 174.94 174.07 1h0s s GLU 99 N 1.44 4.49 -0.03 2.79 2.12 -0.46 -0.90 118.70 128.14 1h0s s GLU 99 Ca 0.04 1.15 0.04 0.00 0.36 0.00 0.00 54.97 56.56 1h0s s GLU 99 Cb -0.15 -3.46 -0.00 0.00 0.26 0.00 0.00 34.13 30.77 1h0s s GLU 99 CO -0.03 -0.01 -0.16 0.08 -0.54 0.00 0.00 175.26 174.59 1h0s s VAL 100 N 0.99 1.33 -0.03 3.70 1.01 -0.67 -0.99 120.40 125.73 1h0s s VAL 100 Ca 0.45 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1h0s s VAL 100 Cb -0.19 -1.14 -0.00 0.00 0.00 0.00 0.00 36.38 35.05 1h0s s VAL 100 CO 0.22 0.38 -0.12 -1.00 0.00 0.00 0.00 175.10 174.58 1h0s s HIS 101 N -0.05 1.23 0.07 5.22 3.76 -0.37 -4.05 115.29 121.09 1h0s s HIS 101 Ca -0.01 -0.31 -0.21 0.00 -0.15 0.00 0.00 55.06 54.38 1h0s s HIS 101 Cb -0.10 -0.84 -0.12 0.00 1.11 0.00 0.00 32.58 32.63 1h0s s HIS 101 CO 0.01 -0.10 1.54 0.82 -0.85 0.00 0.00 174.74 176.16 1h0s h ILE 102 N 5.21 1.21 -3.91 0.60 2.04 -1.87 -2.58 117.51 118.21 1h0s h ILE 102 Ca -0.33 -0.67 -0.49 0.00 1.00 0.00 0.00 64.86 64.36 1h0s h ILE 102 Cb 1.17 1.40 0.03 0.00 -0.74 0.00 0.00 36.82 38.68 1h0s h ILE 102 CO 0.48 0.20 0.24 -0.94 0.00 0.00 0.00 178.15 178.13 1h0s s SER 103 N -5.65 6.38 -0.89 1.72 1.04 -1.26 -2.18 113.70 112.86 1h0s s SER 103 Ca -0.14 1.22 -0.23 0.00 0.48 0.00 0.00 55.95 57.27 1h0s s SER 103 Cb 0.06 -2.37 0.06 0.00 0.10 0.00 0.00 66.02 63.87 1h0s s SER 103 CO 0.70 -0.61 1.30 0.21 0.98 0.00 0.00 173.24 175.82 1h0s s ASN 104 N -3.70 6.39 0.60 7.02 3.84 -1.26 -2.36 114.94 125.47 1h0s s ASN 104 Ca 0.52 -1.23 0.31 0.00 0.21 0.00 0.00 52.86 52.68 1h0s s ASN 104 Cb -0.10 -2.52 1.83 0.00 -0.55 0.00 0.00 41.25 39.90 1h0s s ASN 104 CO 0.41 -1.52 2.20 -0.37 -2.79 0.00 0.00 177.10 175.03 1h0s h VAL 105 N 6.34 0.42 0.00 -5.21 -1.51 -1.93 -1.53 116.25 112.83 1h0s h VAL 105 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 1h0s h VAL 105 Cb 1.03 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 1h0s h VAL 105 CO 1.31 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 179.06 1h0s n HIS 106 N -3.69 0.00 -0.09 5.19 8.25 -1.26 -2.80 115.22 120.82 1h0s n HIS 106 Ca -0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.53 1h0s n HIS 106 Cb 0.19 -0.25 0.19 0.00 1.12 0.00 0.00 29.99 31.24 1h0s n HIS 106 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1h0s n ALA 107 N -1.25 2.29 -2.75 -1.41 0.00 -0.58 -5.01 120.51 111.80 1h0s n ALA 107 Ca 0.13 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1h0s n ALA 107 Cb 0.18 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1h0s n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1h0s n ARG 108 N 0.95 3.86 -1.65 0.00 1.74 -1.12 -5.07 116.66 115.36 1h0s n ARG 108 Ca 0.15 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.85 1h0s n ARG 108 Cb 0.48 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.97 1h0s n ARG 108 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1h0s n GLU 109 N 0.00 1.08 -0.31 5.56 4.71 -1.26 -4.90 120.64 125.52 1h0s n GLU 109 Ca 0.00 0.41 0.12 0.00 -0.01 0.00 0.00 57.16 57.69 1h0s n GLU 109 Cb 0.00 -2.27 0.30 0.00 -1.01 0.00 0.00 31.44 28.46 1h0s n GLU 109 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1h0s h GLU 110 N 0.71 0.51 0.00 3.49 4.57 -1.98 -0.72 114.58 121.16 1h0s h GLU 110 Ca -0.49 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.65 1h0s h GLU 110 Cb 1.35 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1h0s h GLU 110 CO 0.52 0.33 -0.04 0.27 -1.18 0.00 0.00 179.01 178.92 1h0s h PHE 111 N 0.52 0.00 -0.00 0.92 -5.15 -1.97 -0.96 116.94 110.30 1h0s h PHE 111 Ca 0.55 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.32 1h0s h PHE 111 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.15 1h0s h PHE 111 CO -0.09 0.04 -0.07 0.54 -2.00 0.00 0.00 178.31 176.73 1h0s n ARG 112 N -3.68 0.19 -0.04 6.09 1.74 -0.28 -3.48 116.66 117.20 1h0s n ARG 112 Ca -0.03 -0.03 0.11 0.00 -0.77 0.00 0.00 57.85 57.14 1h0s n ARG 112 Cb 0.13 -1.50 0.47 0.00 -1.02 0.00 0.00 32.46 30.55 1h0s n ARG 112 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1h0s n ARG 113 N -1.38 1.53 -4.60 5.56 1.74 -0.36 -4.68 116.66 114.47 1h0s n ARG 113 Ca 0.10 -0.79 -0.33 0.00 -0.77 0.00 0.00 57.85 56.06 1h0s n ARG 113 Cb 0.31 -1.40 -0.16 0.00 -1.02 0.00 0.00 32.46 30.19 1h0s n ARG 113 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1h0s s HIS 114 N -1.88 2.71 -0.09 -1.55 3.76 -1.23 -5.01 115.29 112.00 1h0s s HIS 114 Ca 0.33 -1.25 0.04 0.00 -0.15 0.00 0.00 55.06 54.03 1h0s s HIS 114 Cb 0.17 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 32.02 1h0s s HIS 114 CO 0.27 -0.57 -0.21 0.45 -0.85 0.00 0.00 174.74 173.83 1h0s s SER 115 N 0.84 2.74 0.44 1.40 0.15 -1.26 -4.29 113.70 113.72 1h0s s SER 115 Ca -0.06 -0.49 0.29 0.00 0.70 0.00 0.00 55.95 56.39 1h0s s SER 115 Cb -0.15 -1.25 1.04 0.00 -1.71 0.00 0.00 66.02 63.94 1h0s s SER 115 CO -0.02 0.13 1.84 1.88 1.20 0.00 0.00 173.24 178.27 1h0s h TYR 116 N 6.79 0.00 0.03 3.44 0.05 -1.61 -3.29 116.97 122.38 1h0s h TYR 116 Ca -0.22 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.26 1h0s h TYR 116 Cb 1.23 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.93 1h0s h TYR 116 CO 0.47 0.00 -1.68 -0.07 -1.05 0.00 0.00 178.16 175.84 1h0s h LEU 117 N 0.00 0.10 -1.01 3.88 3.38 -1.92 -3.40 115.31 116.35 1h0s h LEU 117 Ca 0.00 -0.20 0.13 0.00 0.09 0.00 0.00 57.88 57.90 1h0s h LEU 117 Cb 0.59 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.22 1h0s h LEU 117 CO 0.00 1.18 0.63 0.28 0.09 0.00 0.00 178.44 180.62 1h0s h SER 118 N 0.02 0.92 0.57 -0.43 0.02 -1.94 -1.21 113.55 111.49 1h0s h SER 118 Ca -0.28 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1h0s h SER 118 Cb 2.00 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 64.41 1h0s h SER 118 CO 0.09 0.47 -0.07 -0.65 -1.14 0.00 0.00 176.83 175.53 1h0s h PRO 119 N 0.98 0.00 -0.01 3.45 0.11 -1.80 -2.77 132.00 131.96 1h0s h PRO 119 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1h0s h PRO 119 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1h0s h PRO 119 CO -0.28 0.07 -0.58 0.44 -0.21 0.00 0.00 178.00 177.45 1h0s n ILE 120 N -3.33 0.00 -2.54 4.15 -5.35 -0.60 -4.98 119.36 106.71 1h0s n ILE 120 Ca -0.01 -0.21 -0.33 0.00 -0.27 0.00 0.00 62.75 61.93 1h0s n ILE 120 Cb 0.25 1.11 -0.04 0.00 -1.74 0.00 0.00 39.64 39.22 1h0s n ILE 120 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1h0s s ALA 121 N -2.32 2.96 0.08 -1.28 0.00 -0.56 -4.86 121.76 115.78 1h0s s ALA 121 Ca 0.11 0.40 -0.25 0.00 0.00 0.00 0.00 51.96 52.22 1h0s s ALA 121 Cb 0.14 -3.18 -0.16 0.00 0.00 0.00 0.00 23.12 19.91 1h0s s ALA 121 CO 0.57 -0.20 1.68 1.15 0.00 0.00 0.00 175.76 178.95 1h0s h THR 122 N 1.38 0.90 -3.26 0.00 2.02 -1.08 -3.48 112.91 109.39 1h0s h THR 122 Ca -0.48 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 1h0s h THR 122 Cb 1.20 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 1h0s h THR 122 CO 0.60 0.02 0.14 -0.83 0.37 0.00 0.00 175.52 175.82 1h0s s GLY 123 N -2.24 0.46 -0.02 2.16 0.00 -1.23 -5.08 107.32 101.37 1h0s s GLY 123 Ca -0.14 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1h0s s GLY 123 CO 0.65 -0.41 0.02 0.14 0.00 0.00 0.00 173.10 173.50 1h0s s VAL 124 N -3.03 0.02 -0.15 1.40 1.01 -1.26 -1.36 120.40 117.02 1h0s s VAL 124 Ca 0.18 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1h0s s VAL 124 Cb -0.04 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.23 1h0s s VAL 124 CO 0.11 0.09 -0.20 -0.63 0.00 0.00 0.00 175.10 174.48 1h0s s ILE 125 N 0.89 2.19 0.08 2.22 1.01 -0.17 -4.99 121.20 122.44 1h0s s ILE 125 Ca -0.08 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.69 1h0s s ILE 125 Cb -0.11 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1h0s s ILE 125 CO -0.02 0.54 -0.11 0.68 0.00 0.00 0.00 174.94 176.02 1h0s s VAL 126 N 0.95 0.94 0.00 2.92 -7.23 -1.26 -1.23 120.40 115.49 1h0s s VAL 126 Ca -0.03 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 1h0s s VAL 126 Cb -0.15 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.66 1h0s s VAL 126 CO -0.04 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 1h0s n GLY 127 N 0.96 0.91 1.75 2.32 0.00 -0.97 -4.78 105.19 105.37 1h0s n GLY 127 Ca -0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.88 1h0s n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h0s n LEU 128 N 0.00 5.24 0.00 0.99 4.77 -1.23 -4.69 117.00 122.08 1h0s n LEU 128 Ca 0.00 -2.67 0.00 0.00 -0.03 0.00 0.00 56.01 53.31 1h0s n LEU 128 Cb 0.00 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1h0s n LEU 128 CO 0.00 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1h0s n GLY 129 N 0.47 0.42 0.28 -0.72 0.00 -0.93 -3.01 105.19 101.69 1h0s n GLY 129 Ca 0.26 -0.93 0.14 0.00 0.00 0.00 0.00 46.02 45.48 1h0s n GLY 129 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1h0s h ILE 130 N 0.00 0.51 -0.17 -0.61 3.07 -1.94 -2.08 117.51 116.29 1h0s h ILE 130 Ca 0.00 -0.37 0.05 0.00 1.55 0.00 0.00 64.86 66.09 1h0s h ILE 130 Cb 0.00 1.24 -0.01 0.00 -0.27 0.00 0.00 36.82 37.78 1h0s h ILE 130 CO 0.00 0.08 0.16 -0.61 -1.05 0.00 0.00 178.15 176.73 1h0s h GLN 131 N 0.00 0.00 -1.00 0.16 4.15 -1.96 -1.83 115.11 114.63 1h0s h GLN 131 Ca -0.00 0.00 0.27 0.00 0.77 0.00 0.00 58.65 59.69 1h0s h GLN 131 Cb 0.24 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 27.79 1h0s h GLN 131 CO 0.01 0.00 0.58 0.78 -1.93 0.00 0.00 178.83 178.27 1h0s h GLY 132 N 0.00 1.95 0.93 2.39 0.00 -1.34 -0.60 103.07 106.40 1h0s h GLY 132 Ca 0.08 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1h0s h GLY 132 CO -0.00 -0.32 0.04 -0.97 0.00 0.00 0.00 176.54 175.29 1h0s h TYR 133 N 0.49 0.68 -0.66 5.60 0.05 -1.54 -1.80 116.97 119.79 1h0s h TYR 133 Ca 0.67 -0.10 -0.04 0.00 0.05 0.00 0.00 58.73 59.31 1h0s h TYR 133 Cb 1.36 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.89 1h0s h TYR 133 CO -0.01 0.69 0.24 -0.07 -1.05 0.00 0.00 178.16 177.96 1h0s h LEU 134 N 0.47 0.91 -0.75 3.88 3.38 -1.34 -1.27 115.31 120.59 1h0s h LEU 134 Ca 0.11 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1h0s h LEU 134 Cb 0.39 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1h0s h LEU 134 CO 0.01 0.83 -0.30 -0.07 0.09 0.00 0.00 178.44 178.99 1h0s h LEU 135 N 0.96 0.63 -0.53 1.67 3.38 -1.05 -2.02 115.31 118.35 1h0s h LEU 135 Ca 0.22 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1h0s h LEU 135 Cb 0.22 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1h0s h LEU 135 CO -0.02 0.90 0.14 0.00 0.09 0.00 0.00 178.44 179.55 1h0s h ALA 136 N 1.14 0.70 -0.94 1.53 0.00 -1.03 -1.06 119.26 119.60 1h0s h ALA 136 Ca 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1h0s h ALA 136 Cb 0.79 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1h0s h ALA 136 CO 0.06 0.39 0.57 -0.07 0.00 0.00 0.00 179.25 180.21 1h0s h LEU 137 N 0.74 1.12 -0.75 0.00 3.38 -1.06 -1.94 115.31 116.81 1h0s h LEU 137 Ca 0.17 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1h0s h LEU 137 Cb 0.32 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1h0s h LEU 137 CO -0.00 0.85 -0.40 -0.09 0.09 0.00 0.00 178.44 178.88 1h0s h ARG 138 N 1.29 0.47 -0.11 1.13 2.43 -0.83 -0.76 114.38 118.00 1h0s h ARG 138 Ca 0.34 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1h0s h ARG 138 Cb -0.07 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1h0s h ARG 138 CO -0.06 0.80 -0.09 -0.92 -1.51 0.00 0.00 179.97 178.19 1h0s h TYR 139 N 0.39 -0.21 -0.31 2.20 3.20 -0.81 -1.85 116.97 119.58 1h0s h TYR 139 Ca 0.03 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 1h0s h TYR 139 Cb 0.88 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.24 1h0s h TYR 139 CO 0.03 -0.14 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.24 1h0s h LEU 140 N -0.10 0.51 -0.50 2.82 3.38 -0.89 -1.42 115.31 119.10 1h0s h LEU 140 Ca 0.07 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1h0s h LEU 140 Cb 0.21 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1h0s h LEU 140 CO -0.17 0.65 -0.22 0.00 0.09 0.00 0.00 178.44 178.79 1h0s h ALA 141 N 1.41 0.70 -0.00 1.53 0.00 -0.94 -1.88 119.26 120.07 1h0s h ALA 141 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1h0s h ALA 141 Cb 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1h0s h ALA 141 CO 0.03 0.68 -0.03 0.39 0.00 0.00 0.00 179.25 180.31 1h0s n GLU 142 N -4.11 0.20 -0.18 0.00 -0.58 -0.71 -3.23 120.64 112.03 1h0s n GLU 142 Ca 0.00 -0.02 0.05 0.00 -0.42 0.00 0.00 57.16 56.78 1h0s n GLU 142 Cb 0.46 -1.50 0.15 0.00 -0.57 0.00 0.00 31.44 29.98 1h0s n GLU 142 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1h0s n HIS 143 N -1.39 0.46 0.00 -0.32 8.25 -0.56 -5.09 115.22 116.58 1h0s n HIS 143 Ca 0.10 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 57.05 1h0s n HIS 143 Cb 0.30 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1h0s n HIS 143 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53