#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4s n ASN 7 N 0.00 3.73 -0.34 6.55 5.03 -1.26 -3.86 115.26 125.11 1b4s n ASN 7 Ca 0.00 -3.48 0.04 0.00 0.87 0.00 0.00 54.58 52.01 1b4s n ASN 7 Cb 0.00 -0.81 0.05 0.00 -1.02 0.00 0.00 39.78 38.00 1b4s n ASN 7 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1b4s n LYS 8 N -1.00 0.95 -2.19 3.52 4.76 -1.26 -3.93 118.16 119.01 1b4s n LYS 8 Ca 0.55 -1.24 -0.39 0.00 -2.87 0.00 0.00 58.31 54.37 1b4s n LYS 8 Cb 1.59 -1.15 -0.01 0.00 -1.84 0.00 0.00 35.03 33.61 1b4s n LYS 8 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1b4s s GLU 9 N -0.74 3.99 0.08 1.97 2.12 -1.25 -4.70 118.70 120.17 1b4s s GLU 9 Ca 0.11 1.97 0.05 0.00 0.36 0.00 0.00 54.97 57.45 1b4s s GLU 9 Cb 0.07 -2.69 -0.03 0.00 0.26 0.00 0.00 34.13 31.74 1b4s s GLU 9 CO 0.10 -0.42 -0.13 1.03 -0.54 0.00 0.00 175.26 175.30 1b4s s ARG 10 N -2.30 0.84 0.11 4.30 0.52 -1.26 0.49 118.95 121.64 1b4s s ARG 10 Ca 0.58 -1.03 0.03 0.00 -0.52 0.00 0.00 55.73 54.79 1b4s s ARG 10 Cb -0.34 -0.74 -0.04 0.00 0.52 0.00 0.00 34.95 34.36 1b4s s ARG 10 CO 0.43 0.15 -0.09 -0.08 0.02 0.00 0.00 175.30 175.72 1b4s s THR 11 N -1.68 0.93 -0.15 0.02 -1.32 -0.83 -4.66 115.64 107.95 1b4s s THR 11 Ca 0.01 -1.77 -0.05 0.00 -1.21 0.00 0.00 61.69 58.67 1b4s s THR 11 Cb -0.08 -1.50 -0.04 0.00 -1.51 0.00 0.00 72.50 69.38 1b4s s THR 11 CO 0.02 -0.65 0.03 0.12 -2.21 0.00 0.00 174.62 171.92 1b4s s PHE 12 N -2.82 3.19 0.09 9.09 5.36 -1.26 -2.82 117.98 128.82 1b4s s PHE 12 Ca 0.09 0.04 0.05 0.00 -0.96 0.00 0.00 56.93 56.15 1b4s s PHE 12 Cb -0.00 -1.97 -0.03 0.00 -0.34 0.00 0.00 43.02 40.68 1b4s s PHE 12 CO -0.01 0.22 -0.14 -0.51 -1.46 0.00 0.00 175.22 173.33 1b4s s LEU 13 N -0.03 2.34 -0.15 6.12 1.43 -0.04 -1.19 118.68 127.15 1b4s s LEU 13 Ca 0.04 -0.71 -0.06 0.00 -1.03 0.00 0.00 54.13 52.38 1b4s s LEU 13 Cb -0.12 -0.52 0.07 0.00 0.03 0.00 0.00 46.19 45.65 1b4s s LEU 13 CO 0.02 -0.12 0.32 0.00 0.23 0.00 0.00 176.35 176.80 1b4s s ALA 14 N -1.72 -0.77 -0.36 4.21 0.00 0.12 -0.70 121.76 122.54 1b4s s ALA 14 Ca 0.03 1.14 -0.29 0.00 0.00 0.00 0.00 51.96 52.84 1b4s s ALA 14 Cb -0.07 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.92 1b4s s ALA 14 CO 0.02 -0.69 1.39 0.08 0.00 0.00 0.00 175.76 176.57 1b4s s VAL 15 N 2.49 3.97 0.99 0.00 1.01 -0.48 -0.66 120.40 127.72 1b4s s VAL 15 Ca 0.00 1.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.90 1b4s s VAL 15 Cb -0.12 -4.15 0.19 0.00 0.00 0.00 0.00 36.38 32.29 1b4s s VAL 15 CO -0.10 -0.63 1.09 -0.54 0.00 0.00 0.00 175.10 174.92 1b4s s LYS 16 N 4.66 0.46 0.44 2.72 1.02 -0.07 -2.38 119.74 126.59 1b4s s LYS 16 Ca 0.60 1.03 0.22 0.00 0.02 0.00 0.00 55.97 57.85 1b4s s LYS 16 Cb -0.15 -1.70 1.21 0.00 -0.52 0.00 0.00 37.83 36.66 1b4s s LYS 16 CO 0.29 -2.85 1.80 -1.35 -0.92 0.00 0.00 175.35 172.32 1b4s h PRO 17 N -2.00 0.29 -0.18 -1.68 0.11 -1.85 -0.77 132.00 125.91 1b4s h PRO 17 Ca -0.52 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.40 1b4s h PRO 17 Cb 1.30 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1b4s h PRO 17 CO 0.49 0.19 -0.56 0.38 -0.21 0.00 0.00 178.00 178.29 1b4s h ASP 18 N 0.30 0.82 -0.65 -2.05 2.03 -1.87 -0.39 116.42 114.61 1b4s h ASP 18 Ca 0.56 -0.59 -0.05 0.00 -0.73 0.00 0.00 57.03 56.22 1b4s h ASP 18 Cb 1.60 -0.24 -0.03 0.00 -0.83 0.00 0.00 39.33 39.83 1b4s h ASP 18 CO -0.21 1.26 0.22 1.23 -1.03 0.00 0.00 179.24 180.72 1b4s h GLY 19 N 0.41 1.06 0.88 7.15 0.00 -1.38 0.37 103.07 111.56 1b4s h GLY 19 Ca -0.02 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 1b4s h GLY 19 CO 0.12 0.58 -0.14 -2.08 0.00 0.00 0.00 176.54 175.02 1b4s h VAL 20 N 0.92 0.75 -0.24 4.60 2.07 -1.12 -0.50 116.25 122.73 1b4s h VAL 20 Ca 0.21 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1b4s h VAL 20 Cb 0.27 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1b4s h VAL 20 CO -0.01 0.05 0.08 0.00 0.02 0.00 0.00 177.57 177.71 1b4s h ALA 21 N 0.18 1.68 -0.08 1.67 0.00 -0.90 -1.35 119.26 120.46 1b4s h ALA 21 Ca -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1b4s h ALA 21 Cb 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1b4s h ALA 21 CO 0.06 0.25 0.00 0.54 0.00 0.00 0.00 179.25 180.10 1b4s n ARG 22 N -4.42 1.19 -3.25 0.00 1.74 0.13 -4.90 116.66 107.16 1b4s n ARG 22 Ca 0.01 -0.30 -0.19 0.00 -0.77 0.00 0.00 57.85 56.60 1b4s n ARG 22 Cb 0.14 -1.09 0.05 0.00 -1.02 0.00 0.00 32.46 30.55 1b4s n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b4s n GLY 23 N 0.65 -0.24 0.66 -0.13 0.00 -0.51 -4.96 105.19 100.68 1b4s n GLY 23 Ca 0.04 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.16 1b4s n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b4s n LEU 24 N -3.87 2.54 0.15 0.99 4.77 -0.22 -4.71 117.00 116.66 1b4s n LEU 24 Ca -0.02 -1.34 -0.16 0.00 -0.03 0.00 0.00 56.01 54.47 1b4s n LEU 24 Cb 0.56 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 1b4s n LEU 24 CO 0.48 0.54 0.54 0.58 -1.33 0.00 0.00 177.39 178.20 1b4s h VAL 25 N 2.77 0.06 -0.48 4.08 2.07 -1.85 -1.53 116.25 121.37 1b4s h VAL 25 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1b4s h VAL 25 Cb 0.67 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1b4s h VAL 25 CO 0.00 0.00 0.27 1.23 0.02 0.00 0.00 177.57 179.09 1b4s h GLY 26 N -0.77 0.69 0.88 2.17 0.00 -1.97 -1.66 103.07 102.41 1b4s h GLY 26 Ca -0.01 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.06 1b4s h GLY 26 CO -0.23 0.28 0.30 -2.09 0.00 0.00 0.00 176.54 174.79 1b4s h GLU 27 N 0.66 0.57 -0.04 4.80 4.57 -1.77 -1.14 114.58 122.24 1b4s h GLU 27 Ca 0.17 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 1b4s h GLU 27 Cb -0.00 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1b4s h GLU 27 CO -0.03 0.38 -0.03 0.82 -1.18 0.00 0.00 179.01 178.97 1b4s h ILE 28 N 0.59 1.37 -0.41 2.32 2.04 -0.57 -2.84 117.51 120.00 1b4s h ILE 28 Ca 0.20 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 64.92 1b4s h ILE 28 Cb 0.02 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1b4s h ILE 28 CO -0.09 0.31 0.25 0.40 0.00 0.00 0.00 178.15 179.02 1b4s h ILE 29 N -0.35 1.07 -0.99 -0.67 2.04 -1.29 -2.60 117.51 114.72 1b4s h ILE 29 Ca 0.01 -0.18 0.10 0.00 1.00 0.00 0.00 64.86 65.79 1b4s h ILE 29 Cb 0.52 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 37.03 1b4s h ILE 29 CO 0.01 0.09 0.63 0.00 0.00 0.00 0.00 178.15 178.88 1b4s h ALA 30 N 1.17 1.50 -0.22 1.87 0.00 -1.24 -1.17 119.26 121.17 1b4s h ALA 30 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1b4s h ALA 30 Cb -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1b4s h ALA 30 CO -0.06 0.30 -0.10 0.00 0.00 0.00 0.00 179.25 179.39 1b4s h ARG 31 N 1.04 0.35 0.03 0.00 3.08 -1.21 -0.40 114.38 117.27 1b4s h ARG 31 Ca 0.46 -0.08 -0.24 0.00 0.07 0.00 0.00 59.98 60.19 1b4s h ARG 31 Cb 0.36 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1b4s h ARG 31 CO -0.22 0.46 -1.19 1.88 -1.07 0.00 0.00 179.97 179.84 1b4s h TYR 32 N 0.33 0.12 -0.40 3.04 0.05 -1.24 -2.86 116.97 116.01 1b4s h TYR 32 Ca 0.07 -0.08 -0.11 0.00 0.05 0.00 0.00 58.73 58.66 1b4s h TYR 32 Cb 0.39 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 1b4s h TYR 32 CO 0.01 1.08 -0.16 0.93 -1.05 0.00 0.00 178.16 178.96 1b4s h GLU 33 N 0.02 0.81 -0.51 4.88 5.08 -0.94 -0.88 114.58 123.04 1b4s h GLU 33 Ca -0.09 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 57.82 1b4s h GLU 33 Cb 1.86 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.06 1b4s h GLU 33 CO 0.14 0.97 -0.11 0.87 -1.00 0.00 0.00 179.01 179.87 1b4s h LYS 34 N 0.62 0.95 0.00 2.33 1.57 -1.17 -2.71 116.57 118.17 1b4s h LYS 34 Ca 0.09 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.50 1b4s h LYS 34 Cb 0.71 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1b4s h LYS 34 CO 0.05 1.01 -0.15 -0.22 -0.57 0.00 0.00 179.45 179.57 1b4s h LYS 35 N 0.85 0.00 0.00 3.15 1.63 -1.43 -3.47 116.57 117.30 1b4s h LYS 35 Ca 0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1b4s h LYS 35 Cb 0.66 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1b4s h LYS 35 CO 0.05 0.15 0.00 0.41 -3.45 0.00 0.00 179.45 176.61 1b4s n GLY 36 N -0.54 1.23 3.82 5.01 0.00 -0.97 -5.10 105.19 108.65 1b4s n GLY 36 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1b4s n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b4s s PHE 37 N -2.00 3.78 -0.32 1.61 0.08 -0.37 -4.89 117.98 115.86 1b4s s PHE 37 Ca 0.00 1.17 -0.18 0.00 0.12 0.00 0.00 56.93 58.04 1b4s s PHE 37 Cb 0.00 -2.42 -0.01 0.00 -0.57 0.00 0.00 43.02 40.02 1b4s s PHE 37 CO 0.00 0.61 0.53 0.08 -0.10 0.00 0.00 175.22 176.33 1b4s s VAL 38 N -1.08 5.02 -0.19 -0.44 1.01 -0.06 -4.32 120.40 120.33 1b4s s VAL 38 Ca 0.27 0.52 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 1b4s s VAL 38 Cb -0.18 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1b4s s VAL 38 CO 0.17 -0.14 2.02 -0.22 0.00 0.00 0.00 175.10 176.93 1b4s s LEU 39 N 2.41 3.71 0.00 3.92 2.96 -1.26 -0.34 118.68 130.08 1b4s s LEU 39 Ca 0.20 1.92 0.21 0.00 -0.22 0.00 0.00 54.13 56.24 1b4s s LEU 39 Cb -0.15 -3.52 -0.20 0.00 0.50 0.00 0.00 46.19 42.81 1b4s s LEU 39 CO 0.12 -1.64 0.92 1.33 -1.32 0.00 0.00 176.35 175.76 1b4s n VAL 40 N 7.07 0.00 -3.59 1.68 0.24 0.34 -4.94 118.33 119.14 1b4s n VAL 40 Ca 0.25 -0.03 -0.13 0.00 -2.04 0.00 0.00 64.34 62.40 1b4s n VAL 40 Cb 0.44 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.77 1b4s n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1b4s s GLY 41 N -2.95 -0.38 -0.28 7.63 0.00 -1.14 -1.10 107.32 109.11 1b4s s GLY 41 Ca 0.09 2.04 -0.20 0.00 0.00 0.00 0.00 44.72 46.65 1b4s s GLY 41 CO 0.84 1.42 0.77 -2.27 0.00 0.00 0.00 173.10 173.86 1b4s s LEU 42 N -0.38 -0.78 0.09 0.66 2.96 -1.26 -1.45 118.68 118.53 1b4s s LEU 42 Ca -0.02 1.34 -0.25 0.00 -0.22 0.00 0.00 54.13 54.98 1b4s s LEU 42 Cb -0.03 2.29 0.08 0.00 0.50 0.00 0.00 46.19 49.02 1b4s s LEU 42 CO 0.01 -0.22 0.66 -1.59 -1.32 0.00 0.00 176.35 173.90 1b4s s LYS 43 N 1.03 1.16 -0.18 1.98 -2.85 -0.56 -5.02 119.74 115.30 1b4s s LYS 43 Ca -0.05 -0.31 -0.04 0.00 -1.00 0.00 0.00 55.97 54.57 1b4s s LYS 43 Cb -0.05 0.54 -0.02 0.00 -2.06 0.00 0.00 37.83 36.24 1b4s s LYS 43 CO -0.11 -0.48 -0.03 -1.14 0.10 0.00 0.00 175.35 173.69 1b4s s GLN 44 N -3.18 3.58 0.04 1.78 0.74 -1.26 -1.16 119.66 120.21 1b4s s GLN 44 Ca -0.00 -0.55 -0.03 0.00 0.05 0.00 0.00 55.36 54.83 1b4s s GLN 44 Cb -0.01 -2.98 -0.02 0.00 1.10 0.00 0.00 33.01 31.10 1b4s s GLN 44 CO -0.08 0.07 0.03 -0.48 -0.55 0.00 0.00 175.29 174.28 1b4s s LEU 45 N 0.81 2.11 -0.43 3.68 2.34 -0.09 -4.94 118.68 122.15 1b4s s LEU 45 Ca -0.01 -0.69 -0.12 0.00 0.06 0.00 0.00 54.13 53.37 1b4s s LEU 45 Cb -0.14 0.38 0.07 0.00 -0.56 0.00 0.00 46.19 45.93 1b4s s LEU 45 CO 0.02 -0.51 0.31 -0.69 -1.06 0.00 0.00 176.35 174.43 1b4s s VAL 46 N -2.87 4.76 0.33 1.48 1.01 -1.26 0.27 120.40 124.12 1b4s s VAL 46 Ca -0.03 -1.15 -0.28 0.00 0.00 0.00 0.00 61.98 60.53 1b4s s VAL 46 Cb 0.00 -3.83 -0.13 0.00 0.00 0.00 0.00 36.38 32.43 1b4s s VAL 46 CO -0.06 -0.49 1.23 -2.65 0.00 0.00 0.00 175.10 173.13 1b4s n PRO 47 N 5.06 1.96 -2.02 2.72 -0.02 -1.26 -5.00 135.00 136.44 1b4s n PRO 47 Ca -0.11 0.69 -0.30 0.00 -2.02 0.00 0.00 63.50 61.75 1b4s n PRO 47 Cb 0.44 -2.22 0.01 0.00 -0.02 0.00 0.00 33.50 31.70 1b4s n PRO 47 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1b4s s THR 48 N -1.09 4.69 0.24 3.45 -1.32 -1.26 -4.56 115.64 115.79 1b4s s THR 48 Ca 0.56 0.72 -0.05 0.00 -1.21 0.00 0.00 61.69 61.72 1b4s s THR 48 Cb -0.60 -3.85 0.22 0.00 -1.51 0.00 0.00 72.50 66.76 1b4s s THR 48 CO 0.62 -1.06 1.83 0.50 -2.21 0.00 0.00 174.62 174.30 1b4s h LYS 49 N -0.23 0.87 0.72 7.08 3.64 -1.94 -2.32 116.57 124.39 1b4s h LYS 49 Ca -0.45 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 1b4s h LYS 49 Cb 1.20 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1b4s h LYS 49 CO 0.62 0.57 -0.36 -0.44 -2.27 0.00 0.00 179.45 177.58 1b4s h ASP 50 N 0.89 -0.86 -0.82 4.20 5.19 -1.98 0.24 116.42 123.29 1b4s h ASP 50 Ca 0.39 0.03 0.15 0.00 -0.62 0.00 0.00 57.03 56.98 1b4s h ASP 50 Cb 0.26 0.23 -0.10 0.00 0.18 0.00 0.00 39.33 39.90 1b4s h ASP 50 CO -0.21 -0.60 0.39 0.25 -3.12 0.00 0.00 179.24 175.95 1b4s h LEU 51 N -0.99 0.43 -0.29 1.55 5.85 -1.93 0.28 115.31 120.22 1b4s h LEU 51 Ca -0.10 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 1b4s h LEU 51 Cb 0.76 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1b4s h LEU 51 CO 0.15 0.16 -0.20 0.00 -0.34 0.00 0.00 178.44 178.22 1b4s h ALA 52 N 1.57 0.41 -0.01 1.25 0.00 -1.25 0.37 119.26 121.60 1b4s h ALA 52 Ca 0.46 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1b4s h ALA 52 Cb 0.68 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1b4s h ALA 52 CO -0.39 0.35 -0.53 0.93 0.00 0.00 0.00 179.25 179.60 1b4s h GLU 53 N 0.38 0.04 -0.02 0.00 5.08 0.05 0.00 114.58 120.10 1b4s h GLU 53 Ca 0.06 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1b4s h GLU 53 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1b4s h GLU 53 CO 0.05 0.56 -0.19 0.77 -1.00 0.00 0.00 179.01 179.21 1b4s h SER 54 N 0.03 0.21 -0.57 1.42 0.02 -0.41 -1.84 113.55 112.40 1b4s h SER 54 Ca -0.00 -0.70 0.08 0.00 -0.84 0.00 0.00 61.79 60.33 1b4s h SER 54 Cb 0.95 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 63.37 1b4s h SER 54 CO 0.07 0.88 0.21 -0.74 -1.14 0.00 0.00 176.83 176.11 1b4s h HIS 55 N -0.45 0.37 -0.77 3.45 -0.00 -0.10 -2.63 115.15 115.02 1b4s h HIS 55 Ca -0.02 0.03 -0.43 0.00 -0.00 0.00 0.00 60.37 59.95 1b4s h HIS 55 Cb 0.89 -0.08 -0.25 0.00 -0.00 0.00 0.00 27.41 27.97 1b4s h HIS 55 CO 0.16 0.11 0.37 0.66 -0.00 0.00 0.00 177.93 179.22 1b4s n TYR 56 N -4.99 2.42 0.04 5.26 4.01 -0.03 -4.68 117.16 119.19 1b4s n TYR 56 Ca 0.07 -1.95 0.20 0.00 -0.16 0.00 0.00 57.90 56.06 1b4s n TYR 56 Cb 0.24 -0.84 0.72 0.00 -0.31 0.00 0.00 39.34 39.15 1b4s n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b4s h ALA 57 N 1.19 2.35 0.00 -0.72 0.00 -0.94 -0.51 119.26 120.64 1b4s h ALA 57 Ca 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1b4s h ALA 57 Cb 2.12 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1b4s h ALA 57 CO 0.92 -0.62 0.00 1.05 0.00 0.00 0.00 179.25 180.60 1b4s h GLU 58 N 0.00 0.00 -0.35 0.00 4.11 -1.85 -2.78 114.58 113.71 1b4s h GLU 58 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 1b4s h GLU 58 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1b4s h GLU 58 CO -0.00 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.80 1b4s n HIS 59 N -2.51 0.63 0.21 2.06 8.25 -0.21 -4.68 115.22 118.98 1b4s n HIS 59 Ca 0.02 -0.59 0.16 0.00 -0.26 0.00 0.00 57.72 57.05 1b4s n HIS 59 Cb 0.28 -0.10 0.81 0.00 1.12 0.00 0.00 29.99 32.10 1b4s n HIS 59 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1b4s h LYS 60 N 2.11 0.00 -0.11 -0.41 2.10 -1.43 -0.82 116.57 118.01 1b4s h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1b4s h LYS 60 Cb 0.93 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 1b4s h LYS 60 CO 0.06 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.90 1b4s n GLU 61 N -3.94 2.19 -2.77 0.07 1.02 -1.26 -4.92 120.64 111.03 1b4s n GLU 61 Ca 0.01 -1.93 -0.40 0.00 -0.02 0.00 0.00 57.16 54.82 1b4s n GLU 61 Cb 0.28 -1.44 -0.06 0.00 -0.02 0.00 0.00 31.44 30.21 1b4s n GLU 61 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1b4s s ARG 62 N -1.76 4.79 0.51 3.49 1.81 -0.31 -4.97 118.95 122.51 1b4s s ARG 62 Ca 0.29 1.45 0.26 0.00 -1.72 0.00 0.00 55.73 56.00 1b4s s ARG 62 Cb 0.19 -3.30 1.37 0.00 -0.45 0.00 0.00 34.95 32.75 1b4s s ARG 62 CO 0.28 0.44 1.94 -1.00 -0.68 0.00 0.00 175.30 176.29 1b4s h PRO 63 N 4.55 0.07 -0.00 3.54 0.13 -1.92 -1.85 132.00 136.52 1b4s h PRO 63 Ca -0.45 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1b4s h PRO 63 Cb 1.20 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1b4s h PRO 63 CO 0.69 0.05 -0.23 1.97 -0.23 0.00 0.00 178.00 180.24 1b4s n PHE 64 N -4.36 0.00 -0.02 1.56 1.16 -1.26 -4.29 117.46 110.24 1b4s n PHE 64 Ca 0.14 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.63 1b4s n PHE 64 Cb 0.72 -0.32 -0.03 0.00 -1.61 0.00 0.00 39.48 38.24 1b4s n PHE 64 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1b4s h PHE 65 N 0.15 -0.28 -0.28 2.97 3.04 -1.52 -0.96 116.94 120.06 1b4s h PHE 65 Ca 0.00 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.01 1b4s h PHE 65 Cb 0.47 0.15 -0.04 0.00 2.56 0.00 0.00 35.95 39.10 1b4s h PHE 65 CO 0.00 -0.17 0.06 0.78 -2.02 0.00 0.00 178.31 176.96 1b4s h GLY 66 N -0.12 0.33 2.00 2.40 0.00 -1.79 0.14 103.07 106.03 1b4s h GLY 66 Ca 0.10 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 1b4s h GLY 66 CO -0.24 -0.00 -0.36 -1.33 0.00 0.00 0.00 176.54 174.60 1b4s h GLY 67 N 0.17 0.00 0.34 4.60 0.00 -1.80 -2.55 103.07 103.83 1b4s h GLY 67 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1b4s h GLY 67 CO -0.17 0.00 -0.03 -2.00 0.00 0.00 0.00 176.54 174.34 1b4s h LEU 68 N 0.00 0.04 -2.53 3.11 5.85 -0.65 -1.98 115.31 119.15 1b4s h LEU 68 Ca -0.00 -0.69 -0.00 0.00 0.84 0.00 0.00 57.88 58.02 1b4s h LEU 68 Cb 0.72 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1b4s h LEU 68 CO 0.05 0.73 -0.02 0.58 -0.34 0.00 0.00 178.44 179.44 1b4s h VAL 69 N -0.64 0.15 0.15 1.05 2.07 -0.71 0.20 116.25 118.52 1b4s h VAL 69 Ca -0.00 -0.15 -0.31 0.00 0.82 0.00 0.00 66.70 67.06 1b4s h VAL 69 Cb 0.73 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1b4s h VAL 69 CO 0.01 0.02 -1.54 0.28 0.02 0.00 0.00 177.57 176.35 1b4s h SER 70 N 0.00 0.49 0.45 0.57 0.02 -1.47 -3.28 113.55 110.33 1b4s h SER 70 Ca -0.00 -0.90 -0.02 0.00 -0.84 0.00 0.00 61.79 60.03 1b4s h SER 70 Cb 0.13 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1b4s h SER 70 CO 0.00 1.69 -0.22 0.15 -1.14 0.00 0.00 176.83 177.31 1b4s h PHE 71 N -0.13 -0.56 0.00 3.45 3.57 -0.51 -1.47 116.94 121.29 1b4s h PHE 71 Ca -0.32 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1b4s h PHE 71 Cb 1.90 0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.83 1b4s h PHE 71 CO 0.12 -0.29 0.05 0.97 -2.23 0.00 0.00 178.31 176.93 1b4s h ILE 72 N -0.73 0.00 -0.29 1.41 6.09 -0.81 -1.34 117.51 121.84 1b4s h ILE 72 Ca -0.06 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 1b4s h ILE 72 Cb 0.52 0.89 0.00 0.00 0.47 0.00 0.00 36.82 38.71 1b4s h ILE 72 CO 0.10 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.53 1b4s n THR 73 N -2.95 1.01 1.55 2.19 -2.24 -1.12 -4.37 114.28 108.34 1b4s n THR 73 Ca -0.03 -1.01 0.13 0.00 -2.27 0.00 0.00 64.05 60.88 1b4s n THR 73 Cb 0.11 0.49 0.57 0.00 -2.10 0.00 0.00 70.33 69.40 1b4s n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1b4s n SER 74 N 0.34 1.21 -1.39 3.42 3.41 -0.51 -4.84 113.62 115.27 1b4s n SER 74 Ca 0.10 -1.45 0.01 0.00 -0.26 0.00 0.00 58.87 57.26 1b4s n SER 74 Cb 0.40 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1b4s n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b4s n GLY 75 N 1.12 0.47 3.75 5.00 0.00 -1.26 -5.10 105.19 109.17 1b4s n GLY 75 Ca 0.19 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 1b4s n GLY 75 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1b4s s PRO 76 N -2.00 3.11 -0.02 1.61 0.02 -1.26 -4.29 135.00 132.16 1b4s s PRO 76 Ca 0.04 1.98 0.01 0.00 0.02 0.00 0.00 61.00 63.05 1b4s s PRO 76 Cb -0.00 -2.11 0.02 0.00 0.02 0.00 0.00 34.50 32.43 1b4s s PRO 76 CO -0.00 -1.14 -0.03 0.08 -0.33 0.00 0.00 177.00 175.58 1b4s s VAL 77 N -1.46 0.33 -0.46 3.83 1.01 0.14 -3.42 120.40 120.36 1b4s s VAL 77 Ca 0.74 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.54 1b4s s VAL 77 Cb -0.34 -0.35 0.10 0.00 0.00 0.00 0.00 36.38 35.79 1b4s s VAL 77 CO 0.39 0.15 0.34 0.68 0.00 0.00 0.00 175.10 176.66 1b4s s VAL 78 N 0.59 4.50 0.18 2.92 -7.23 -1.00 -0.92 120.40 119.45 1b4s s VAL 78 Ca -0.06 -1.51 -0.24 0.00 -1.81 0.00 0.00 61.98 58.36 1b4s s VAL 78 Cb -0.10 -3.84 -0.08 0.00 0.56 0.00 0.00 36.38 32.92 1b4s s VAL 78 CO -0.01 -0.67 0.77 0.00 -0.31 0.00 0.00 175.10 174.88 1b4s s ALA 79 N 1.46 3.43 0.09 1.32 0.00 -0.31 -1.38 121.76 126.38 1b4s s ALA 79 Ca 0.04 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.21 1b4s s ALA 79 Cb -0.25 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 19.95 1b4s s ALA 79 CO 0.02 0.30 0.26 0.00 0.00 0.00 0.00 175.76 176.33 1b4s s MET 80 N -1.37 0.89 -0.08 0.00 0.23 0.12 -1.49 119.30 117.60 1b4s s MET 80 Ca 0.38 -0.81 -0.00 0.00 -1.03 0.00 0.00 55.69 54.22 1b4s s MET 80 Cb -0.21 0.37 0.02 0.00 -1.53 0.00 0.00 34.83 33.48 1b4s s MET 80 CO 0.25 -0.30 -0.04 0.54 -2.03 0.00 0.00 175.02 173.44 1b4s s VAL 81 N -3.59 0.67 -0.08 5.16 0.11 -0.53 -0.86 120.40 121.28 1b4s s VAL 81 Ca 0.02 -0.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 1b4s s VAL 81 Cb 0.03 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 34.11 1b4s s VAL 81 CO -0.10 0.29 -0.06 -0.36 -3.33 0.00 0.00 175.10 171.55 1b4s s PHE 82 N 1.59 2.98 0.06 1.54 0.08 -1.13 0.13 117.98 123.23 1b4s s PHE 82 Ca 0.00 0.01 0.07 0.00 0.12 0.00 0.00 56.93 57.14 1b4s s PHE 82 Cb -0.13 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1b4s s PHE 82 CO -0.05 0.32 -0.17 -2.00 -0.10 0.00 0.00 175.22 173.22 1b4s s GLU 83 N -0.71 2.01 0.00 0.44 2.12 0.54 -1.96 118.70 121.14 1b4s s GLU 83 Ca 0.11 -1.03 0.00 0.00 0.36 0.00 0.00 54.97 54.41 1b4s s GLU 83 Cb -0.11 -2.19 0.00 0.00 0.26 0.00 0.00 34.13 32.09 1b4s s GLU 83 CO 0.02 0.52 0.00 0.41 -0.54 0.00 0.00 175.26 175.67 1b4s n GLY 84 N 1.29 2.75 3.68 -1.50 0.00 0.18 -0.88 105.19 110.71 1b4s n GLY 84 Ca -0.16 -1.11 -0.45 0.00 0.00 0.00 0.00 46.02 44.30 1b4s n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1b4s n LYS 85 N -1.17 2.34 -1.59 1.61 4.81 -1.26 -1.93 118.16 120.99 1b4s n LYS 85 Ca 0.00 0.85 -0.17 0.00 -0.87 0.00 0.00 58.31 58.12 1b4s n LYS 85 Cb 0.00 -2.66 -0.07 0.00 0.02 0.00 0.00 35.03 32.32 1b4s n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1b4s n GLY 86 N 3.80 1.44 0.21 3.14 0.00 -1.26 -4.89 105.19 107.63 1b4s n GLY 86 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 1b4s n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1b4s h VAL 87 N 0.00 0.67 -0.37 1.61 3.04 -1.67 -0.38 116.25 119.16 1b4s h VAL 87 Ca -0.36 -0.08 0.05 0.00 -1.01 0.00 0.00 66.70 65.31 1b4s h VAL 87 Cb 1.14 0.42 -0.05 0.00 -2.01 0.00 0.00 31.29 30.80 1b4s h VAL 87 CO 0.51 0.04 0.08 0.58 -1.01 0.00 0.00 177.57 177.78 1b4s h VAL 88 N 0.23 0.83 -0.05 1.51 2.07 -1.85 0.34 116.25 119.32 1b4s h VAL 88 Ca 0.28 -0.07 -0.23 0.00 0.82 0.00 0.00 66.70 67.50 1b4s h VAL 88 Cb 0.39 0.60 0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1b4s h VAL 88 CO -0.37 0.04 -0.89 0.00 0.02 0.00 0.00 177.57 176.37 1b4s h ALA 89 N 1.27 0.34 -0.01 1.67 0.00 -1.84 -3.10 119.26 117.60 1b4s h ALA 89 Ca 0.17 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1b4s h ALA 89 Cb 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1b4s h ALA 89 CO -0.22 0.75 0.00 1.03 0.00 0.00 0.00 179.25 180.81 1b4s h SER 90 N 0.34 0.01 -0.87 0.00 0.87 -0.65 -1.79 113.55 111.47 1b4s h SER 90 Ca -0.08 -0.17 0.12 0.00 -1.23 0.00 0.00 61.79 60.43 1b4s h SER 90 Cb 1.52 -0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.39 1b4s h SER 90 CO 0.17 0.18 0.49 0.00 -0.53 0.00 0.00 176.83 177.13 1b4s h ALA 91 N 0.83 1.28 -0.48 6.23 0.00 -0.43 0.11 119.26 126.79 1b4s h ALA 91 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1b4s h ALA 91 Cb 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1b4s h ALA 91 CO -0.00 0.05 0.08 0.00 0.00 0.00 0.00 179.25 179.38 1b4s h ARG 92 N 0.76 0.80 -0.70 0.00 3.08 -1.44 -0.74 114.38 116.15 1b4s h ARG 92 Ca 0.44 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1b4s h ARG 92 Cb 0.51 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1b4s h ARG 92 CO -0.30 0.80 0.45 1.25 -1.07 0.00 0.00 179.97 181.11 1b4s h LEU 93 N 0.67 0.81 -1.56 3.04 5.85 -0.32 -1.32 115.31 122.49 1b4s h LEU 93 Ca 0.15 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1b4s h LEU 93 Cb 0.39 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1b4s h LEU 93 CO 0.01 0.60 -0.12 0.24 -0.34 0.00 0.00 178.44 178.83 1b4s h MET 94 N 0.95 0.00 0.17 1.25 2.86 -0.41 -3.16 114.93 116.60 1b4s h MET 94 Ca 0.25 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.65 1b4s h MET 94 Cb -0.09 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.60 1b4s h MET 94 CO -0.05 0.12 -1.05 0.82 1.06 0.00 0.00 176.91 177.81 1b4s h ILE 95 N 0.00 1.42 0.00 -1.22 2.04 -0.08 -0.55 117.51 119.13 1b4s h ILE 95 Ca -0.00 -2.57 0.00 0.00 1.00 0.00 0.00 64.86 63.29 1b4s h ILE 95 Cb 0.52 3.11 0.00 0.00 -0.74 0.00 0.00 36.82 39.71 1b4s h ILE 95 CO 0.02 0.75 0.00 0.61 0.00 0.00 0.00 178.15 179.52 1b4s n GLY 96 N 1.65 0.35 3.45 5.37 0.00 -0.65 -1.25 105.19 114.11 1b4s n GLY 96 Ca -0.15 -1.60 -0.22 0.00 0.00 0.00 0.00 46.02 44.05 1b4s n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b4s s VAL 97 N 0.00 1.71 0.26 1.61 -7.23 -1.26 -4.75 120.40 110.74 1b4s s VAL 97 Ca 0.00 -2.12 -0.04 0.00 -1.81 0.00 0.00 61.98 58.01 1b4s s VAL 97 Cb 0.00 -2.52 0.30 0.00 0.56 0.00 0.00 36.38 34.72 1b4s s VAL 97 CO 0.00 -0.25 1.64 0.74 -0.31 0.00 0.00 175.10 176.91 1b4s h THR 98 N 2.21 0.32 -3.50 5.32 2.02 -1.99 -3.33 112.91 113.96 1b4s h THR 98 Ca -0.40 -0.05 -0.61 0.00 0.77 0.00 0.00 66.41 66.11 1b4s h THR 98 Cb 1.24 0.17 -0.12 0.00 -1.74 0.00 0.00 68.15 67.70 1b4s h THR 98 CO 0.68 0.03 0.22 0.21 0.37 0.00 0.00 175.52 177.03 1b4s s ASN 99 N -5.15 6.55 0.32 4.18 3.04 -1.26 -4.74 114.94 117.88 1b4s s ASN 99 Ca -0.13 0.51 0.00 0.00 0.04 0.00 0.00 52.86 53.28 1b4s s ASN 99 Cb 0.24 -2.35 0.53 0.00 -1.54 0.00 0.00 41.25 38.13 1b4s s ASN 99 CO 0.76 -0.52 1.98 -0.65 -3.04 0.00 0.00 177.10 175.63 1b4s h PRO 100 N 8.16 0.95 -0.30 0.43 0.11 -1.80 -1.80 132.00 137.75 1b4s h PRO 100 Ca -0.26 -0.07 0.09 0.00 0.11 0.00 0.00 66.00 65.87 1b4s h PRO 100 Cb 1.11 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1b4s h PRO 100 CO 0.82 0.64 0.22 -0.07 -0.21 0.00 0.00 178.00 179.41 1b4s h LEU 101 N 0.97 0.00 0.00 2.35 3.38 -1.75 -0.23 115.31 120.03 1b4s h LEU 101 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1b4s h LEU 101 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1b4s h LEU 101 CO -0.05 0.00 -0.74 0.00 0.09 0.00 0.00 178.44 177.74 1b4s n ALA 102 N -2.58 3.43 -2.20 1.53 0.00 -0.71 -4.89 120.51 115.09 1b4s n ALA 102 Ca 0.04 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 1b4s n ALA 102 Cb 0.39 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 1b4s n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1b4s s SER 103 N -3.60 7.02 0.53 0.00 0.01 -0.10 -4.87 113.70 112.70 1b4s s SER 103 Ca 0.07 2.18 -0.20 0.00 1.31 0.00 0.00 55.95 59.32 1b4s s SER 103 Cb 0.15 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.73 1b4s s SER 103 CO 0.75 -0.47 1.13 0.00 0.41 0.00 0.00 173.24 175.06 1b4s s ALA 104 N 0.56 2.73 0.30 1.44 0.00 -1.26 -4.16 121.76 121.37 1b4s s ALA 104 Ca 0.57 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 53.07 1b4s s ALA 104 Cb -0.32 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 19.32 1b4s s ALA 104 CO 0.33 -0.74 1.57 -1.25 0.00 0.00 0.00 175.76 175.67 1b4s s PRO 105 N -3.22 4.13 0.00 0.00 0.04 -1.26 -2.25 135.00 132.44 1b4s s PRO 105 Ca 0.72 2.56 0.00 0.00 0.04 0.00 0.00 61.00 64.31 1b4s s PRO 105 Cb -0.24 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1b4s s PRO 105 CO 0.27 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1b4s n GLY 106 N 1.97 1.47 3.90 0.56 0.00 -1.26 -4.99 105.19 106.85 1b4s n GLY 106 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1b4s n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b4s s SER 107 N -0.60 6.40 0.11 1.61 1.04 -0.95 -4.94 113.70 116.37 1b4s s SER 107 Ca 0.00 0.87 -0.27 0.00 0.48 0.00 0.00 55.95 57.03 1b4s s SER 107 Cb 0.00 -2.21 -0.08 0.00 0.10 0.00 0.00 66.02 63.83 1b4s s SER 107 CO 0.00 -0.37 1.63 0.40 0.98 0.00 0.00 173.24 175.88 1b4s h ILE 108 N 0.90 0.39 -0.09 -1.02 2.04 -1.10 -0.61 117.51 118.02 1b4s h ILE 108 Ca -0.48 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.27 1b4s h ILE 108 Cb 1.20 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1b4s h ILE 108 CO 0.64 0.00 -0.48 0.03 0.00 0.00 0.00 178.15 178.34 1b4s h ARG 109 N -0.48 0.23 0.00 2.37 3.08 -1.45 -0.95 114.38 117.19 1b4s h ARG 109 Ca 0.04 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1b4s h ARG 109 Cb 0.52 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1b4s h ARG 109 CO -0.18 0.66 -0.21 0.78 -1.07 0.00 0.00 179.97 179.96 1b4s h GLY 110 N 1.31 0.00 0.46 0.04 0.00 -1.61 0.38 103.07 103.66 1b4s h GLY 110 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.12 1b4s h GLY 110 CO 0.07 0.00 -1.89 1.22 0.00 0.00 0.00 176.54 175.95 1b4s n ASP 111 N -3.98 0.41 0.00 0.19 8.00 -0.27 -4.50 116.55 116.39 1b4s n ASP 111 Ca -0.02 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1b4s n ASP 111 Cb 0.29 0.76 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 1b4s n ASP 111 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1b4s n PHE 112 N -2.74 0.00 -4.25 1.24 3.01 -0.39 -5.08 117.46 109.24 1b4s n PHE 112 Ca -0.17 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.05 1b4s n PHE 112 Cb 0.92 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 40.32 1b4s n PHE 112 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1b4s s GLY 113 N -0.66 1.85 0.00 1.37 0.00 0.11 -4.97 107.32 105.02 1b4s s GLY 113 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.93 1b4s s GLY 113 CO 0.00 -1.78 0.00 -0.62 0.00 0.00 0.00 173.10 170.70 1b4s n VAL 114 N -0.98 0.00 -4.07 1.40 0.31 -1.26 -4.24 118.33 109.50 1b4s n VAL 114 Ca -0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.96 1b4s n VAL 114 Cb 0.60 -0.06 -0.07 0.00 -0.91 0.00 0.00 33.84 33.41 1b4s n VAL 114 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1b4s s ASP 115 N -2.20 5.74 0.19 4.52 2.15 -1.26 -4.31 116.67 121.50 1b4s s ASP 115 Ca 0.00 0.14 -0.05 0.00 0.43 0.00 0.00 52.55 53.07 1b4s s ASP 115 Cb 0.00 -1.65 0.10 0.00 -0.30 0.00 0.00 42.92 41.07 1b4s s ASP 115 CO 0.00 0.25 1.52 0.58 -0.17 0.00 0.00 175.17 177.35 1b4s h VAL 116 N 3.01 1.30 0.00 1.11 2.07 -1.97 -2.86 116.25 118.91 1b4s h VAL 116 Ca -0.48 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 65.40 1b4s h VAL 116 Cb 1.18 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1b4s h VAL 116 CO 0.64 0.52 0.00 0.61 0.02 0.00 0.00 177.57 179.37 1b4s n GLY 117 N 0.12 -1.45 2.73 2.17 0.00 -1.26 -3.40 105.19 104.10 1b4s n GLY 117 Ca -0.02 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1b4s n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b4s n ARG 118 N -2.02 2.77 -0.84 1.61 5.12 -1.09 -4.92 116.66 117.28 1b4s n ARG 118 Ca 0.05 -4.49 -0.17 0.00 -1.93 0.00 0.00 57.85 51.31 1b4s n ARG 118 Cb 0.32 -2.11 0.09 0.00 -1.16 0.00 0.00 32.46 29.60 1b4s n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1b4s n ASN 119 N -0.17 4.64 0.00 0.55 6.94 -1.18 -4.34 115.26 121.70 1b4s n ASN 119 Ca 0.30 -3.08 0.00 0.00 -0.02 0.00 0.00 54.58 51.78 1b4s n ASN 119 Cb 0.49 -0.83 0.00 0.00 -2.36 0.00 0.00 39.78 37.08 1b4s n ASN 119 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1b4s n ILE 120 N -0.32 0.00 -3.82 1.53 -0.00 -1.26 -4.74 119.36 110.75 1b4s n ILE 120 Ca 0.37 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 63.01 1b4s n ILE 120 Cb 1.00 0.00 -0.08 0.00 -0.00 0.00 0.00 39.64 40.55 1b4s n ILE 120 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.55 176.04 1b4s s ILE 121 N 0.00 0.09 0.06 1.39 2.07 -1.26 -0.89 121.20 122.66 1b4s s ILE 121 Ca 0.00 -0.75 0.06 0.00 -1.41 0.00 0.00 60.65 58.55 1b4s s ILE 121 Cb 0.00 -0.79 -0.03 0.00 0.13 0.00 0.00 42.46 41.77 1b4s s ILE 121 CO 0.00 -0.41 -0.17 -0.83 -1.91 0.00 0.00 174.94 171.62 1b4s s GLY 122 N -1.84 0.97 0.04 1.50 0.00 0.16 -4.90 107.32 103.26 1b4s s GLY 122 Ca -0.08 -1.00 -0.16 0.00 0.00 0.00 0.00 44.72 43.48 1b4s s GLY 122 CO -0.01 -0.97 0.37 -0.32 0.00 0.00 0.00 173.10 172.16 1b4s s GLY 123 N -1.40 -0.22 0.36 0.20 0.00 -1.26 0.15 107.32 105.14 1b4s s GLY 123 Ca 0.03 0.20 -0.28 0.00 0.00 0.00 0.00 44.72 44.67 1b4s s GLY 123 CO 0.02 -0.04 1.43 -0.56 0.00 0.00 0.00 173.10 173.95 1b4s s SER 124 N -2.01 6.49 0.00 1.64 0.01 -0.33 -4.94 113.70 114.56 1b4s s SER 124 Ca -0.05 2.92 0.26 0.00 1.31 0.00 0.00 55.95 60.38 1b4s s SER 124 Cb -0.01 -2.66 0.58 0.00 0.21 0.00 0.00 66.02 64.14 1b4s s SER 124 CO -0.03 -0.76 1.47 -0.90 0.41 0.00 0.00 173.24 173.44 1b4s n ASP 125 N 0.64 1.87 -3.50 2.44 5.68 -1.26 -4.79 116.55 117.63 1b4s n ASP 125 Ca 0.01 -1.49 -0.10 0.00 -0.50 0.00 0.00 54.79 52.71 1b4s n ASP 125 Cb 0.40 0.11 -0.02 0.00 -1.14 0.00 0.00 41.12 40.47 1b4s n ASP 125 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1b4s s SER 126 N -2.20 -0.45 0.40 -1.12 1.04 -1.26 -4.95 113.70 105.17 1b4s s SER 126 Ca 0.29 -0.07 0.07 0.00 0.48 0.00 0.00 55.95 56.72 1b4s s SER 126 Cb 0.20 0.52 0.83 0.00 0.10 0.00 0.00 66.02 67.66 1b4s s SER 126 CO 0.41 -0.86 2.04 0.58 0.98 0.00 0.00 173.24 176.39 1b4s h VAL 127 N 2.00 1.09 -0.27 5.02 2.07 -1.92 0.42 116.25 124.66 1b4s h VAL 127 Ca -0.28 -0.21 -0.15 0.00 0.82 0.00 0.00 66.70 66.88 1b4s h VAL 127 Cb 1.27 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1b4s h VAL 127 CO 0.33 0.11 -0.41 -0.33 0.02 0.00 0.00 177.57 177.29 1b4s h GLU 128 N 0.61 0.75 -0.39 1.57 3.07 -1.96 -1.33 114.58 116.91 1b4s h GLU 128 Ca 0.19 -0.45 -0.11 0.00 -0.50 0.00 0.00 59.36 58.48 1b4s h GLU 128 Cb 0.01 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1b4s h GLU 128 CO -0.05 1.08 -0.20 0.77 -1.40 0.00 0.00 179.01 179.22 1b4s h SER 129 N 0.49 0.84 0.26 1.42 0.02 -1.74 -2.95 113.55 111.90 1b4s h SER 129 Ca 0.02 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1b4s h SER 129 Cb 1.01 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 1b4s h SER 129 CO 0.10 1.07 -0.27 0.00 -1.14 0.00 0.00 176.83 176.58 1b4s h ALA 130 N 0.80 -0.56 -0.63 3.77 0.00 -0.12 -0.80 119.26 121.72 1b4s h ALA 130 Ca 0.09 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.06 1b4s h ALA 130 Cb 0.75 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1b4s h ALA 130 CO 0.06 -0.85 0.43 -0.91 0.00 0.00 0.00 179.25 177.98 1b4s h ASN 131 N -0.57 0.20 0.35 0.00 2.35 -1.27 0.40 115.58 117.04 1b4s h ASN 131 Ca -0.01 0.01 -0.32 0.00 -0.55 0.00 0.00 56.30 55.43 1b4s h ASN 131 Cb 0.53 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.88 1b4s h ASN 131 CO -0.06 0.11 -1.53 0.08 -1.65 0.00 0.00 177.43 174.37 1b4s h ARG 132 N 0.21 0.39 -0.07 0.81 0.11 -1.30 -3.04 114.38 111.49 1b4s h ARG 132 Ca 0.30 -0.67 -0.19 0.00 0.10 0.00 0.00 59.98 59.53 1b4s h ARG 132 Cb 0.89 0.25 -0.00 0.00 1.11 0.00 0.00 29.97 32.21 1b4s h ARG 132 CO -0.06 1.30 -0.75 0.93 0.10 0.00 0.00 179.97 181.49 1b4s h GLU 133 N 0.11 0.40 -0.62 0.08 5.08 -0.41 -1.17 114.58 118.05 1b4s h GLU 133 Ca -0.26 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 57.69 1b4s h GLU 133 Cb 2.09 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 31.39 1b4s h GLU 133 CO 0.21 0.98 0.13 0.82 -1.00 0.00 0.00 179.01 180.15 1b4s h ILE 134 N 0.27 1.26 0.00 3.13 2.04 -0.35 -0.12 117.51 123.73 1b4s h ILE 134 Ca -0.04 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1b4s h ILE 134 Cb 1.34 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1b4s h ILE 134 CO 0.13 0.36 0.00 0.00 0.00 0.00 0.00 178.15 178.64 1b4s h ALA 135 N 1.04 1.00 0.11 1.87 0.00 -1.53 -1.50 119.26 120.25 1b4s h ALA 135 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 1b4s h ALA 135 Cb 0.39 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.20 1b4s h ALA 135 CO 0.01 0.00 -0.82 1.25 0.00 0.00 0.00 179.25 179.69 1b4s h LEU 136 N 0.00 0.53 0.00 0.00 7.12 -0.61 -3.39 115.31 118.95 1b4s h LEU 136 Ca 0.00 -0.90 0.00 0.00 0.13 0.00 0.00 57.88 57.11 1b4s h LEU 136 Cb 0.86 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.82 1b4s h LEU 136 CO 0.00 1.38 -1.73 0.79 -0.13 0.00 0.00 178.44 178.75 1b4s n TRP 137 N -4.11 0.02 -4.75 1.25 7.02 -0.11 -4.98 117.44 111.78 1b4s n TRP 137 Ca -0.13 0.01 -0.26 0.00 -1.02 0.00 0.00 57.50 56.10 1b4s n TRP 137 Cb 0.81 -0.39 -0.15 0.00 -2.42 0.00 0.00 31.31 29.17 1b4s n TRP 137 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1b4s s PHE 138 N -3.39 1.76 0.16 -5.99 0.08 -0.57 -5.09 117.98 104.95 1b4s s PHE 138 Ca -0.04 -0.36 -0.13 0.00 0.12 0.00 0.00 56.93 56.53 1b4s s PHE 138 Cb 0.14 -1.08 -0.07 0.00 -0.57 0.00 0.00 43.02 41.44 1b4s s PHE 138 CO 0.90 0.04 0.53 0.15 -0.10 0.00 0.00 175.22 176.74 1b4s s LYS 139 N -0.91 3.91 0.38 0.44 1.02 -1.26 -4.43 119.74 118.89 1b4s s LYS 139 Ca 0.07 0.40 0.18 0.00 0.02 0.00 0.00 55.97 56.65 1b4s s LYS 139 Cb -0.08 -2.87 1.15 0.00 -0.52 0.00 0.00 37.83 35.50 1b4s s LYS 139 CO 0.01 0.45 1.69 -1.35 -0.92 0.00 0.00 175.35 175.23 1b4s h PRO 140 N 3.34 0.31 0.00 -1.68 0.11 -1.94 0.33 132.00 132.47 1b4s h PRO 140 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1b4s h PRO 140 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1b4s h PRO 140 CO 0.67 0.20 0.00 -0.85 -0.21 0.00 0.00 178.00 177.81 1b4s n GLU 141 N -4.84 0.04 0.00 1.05 0.00 -1.26 -2.29 120.64 113.34 1b4s n GLU 141 Ca 0.31 0.17 0.12 0.00 0.00 0.00 0.00 57.16 57.76 1b4s n GLU 141 Cb 1.03 -1.56 0.23 0.00 0.00 0.00 0.00 31.44 31.14 1b4s n GLU 141 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1b4s n GLU 142 N -1.64 0.42 -4.68 3.44 1.02 0.12 -4.87 120.64 114.44 1b4s n GLU 142 Ca 0.05 -0.27 -0.33 0.00 -0.02 0.00 0.00 57.16 56.58 1b4s n GLU 142 Cb 0.26 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.05 1b4s n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1b4s s LEU 143 N -2.77 2.93 0.62 -4.62 1.43 -0.97 -4.40 118.68 110.90 1b4s s LEU 143 Ca 0.16 -0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 52.88 1b4s s LEU 143 Cb 0.18 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.72 1b4s s LEU 143 CO 0.64 0.23 1.23 -0.76 0.23 0.00 0.00 176.35 177.93 1b4s s LEU 144 N -0.05 3.61 -0.13 1.79 1.43 -0.26 -4.95 118.68 120.12 1b4s s LEU 144 Ca -0.01 2.45 0.04 0.00 -1.03 0.00 0.00 54.13 55.58 1b4s s LEU 144 Cb -0.14 -4.60 -0.11 0.00 0.03 0.00 0.00 46.19 41.37 1b4s s LEU 144 CO 0.03 -1.77 -0.07 0.35 0.23 0.00 0.00 176.35 175.13 1b4s n THR 145 N -1.79 0.82 -2.98 5.49 -2.24 -1.26 -4.80 114.28 107.51 1b4s n THR 145 Ca 0.14 -0.38 -0.44 0.00 -2.27 0.00 0.00 64.05 61.10 1b4s n THR 145 Cb 0.49 -0.90 -0.02 0.00 -2.10 0.00 0.00 70.33 67.80 1b4s n THR 145 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1b4s s GLU 146 N -2.29 3.62 -0.15 -0.78 0.41 -1.26 -5.01 118.70 113.25 1b4s s GLU 146 Ca -0.15 -1.89 -0.04 0.00 -0.41 0.00 0.00 54.97 52.49 1b4s s GLU 146 Cb 0.04 -4.85 -0.03 0.00 -1.78 0.00 0.00 34.13 27.51 1b4s s GLU 146 CO 0.38 -1.70 -0.03 0.08 -0.49 0.00 0.00 175.26 173.50 1b4s s VAL 147 N 2.28 3.97 -0.25 2.63 1.01 -1.26 -5.07 120.40 123.72 1b4s s VAL 147 Ca 0.31 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 1b4s s VAL 147 Cb -0.05 -2.73 0.13 0.00 0.00 0.00 0.00 36.38 33.72 1b4s s VAL 147 CO -0.09 0.51 0.33 -1.59 0.00 0.00 0.00 175.10 174.26 1b4s s LYS 148 N 0.19 0.32 0.83 2.72 0.00 -1.26 -5.17 119.74 117.37 1b4s s LYS 148 Ca -0.01 0.31 -0.11 0.00 0.00 0.00 0.00 55.97 56.15 1b4s s LYS 148 Cb -0.14 -0.65 0.12 0.00 0.00 0.00 0.00 37.83 37.16 1b4s s LYS 148 CO 0.03 -0.75 1.17 -1.25 0.00 0.00 0.00 175.35 174.54 1b4s s PRO 149 N 2.47 1.51 0.17 1.78 0.04 -1.26 -4.99 135.00 134.72 1b4s s PRO 149 Ca 0.11 -0.30 -0.33 0.00 0.04 0.00 0.00 61.00 60.51 1b4s s PRO 149 Cb -0.15 -2.01 -0.14 0.00 0.04 0.00 0.00 34.50 32.24 1b4s s PRO 149 CO -0.19 -1.79 1.54 -1.71 0.04 0.00 0.00 177.00 174.89 1b4s n ASN 150 N -3.33 3.01 0.00 6.66 2.85 -1.26 -4.81 115.26 118.39 1b4s n ASN 150 Ca 0.11 1.09 0.03 0.00 -0.11 0.00 0.00 54.58 55.71 1b4s n ASN 150 Cb 0.60 -1.42 0.15 0.00 1.24 0.00 0.00 39.78 40.35 1b4s n ASN 150 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1b4s n PRO 151 N 3.15 0.02 -0.15 1.20 -0.04 -1.26 -1.44 135.00 136.48 1b4s n PRO 151 Ca 0.16 0.35 0.09 0.00 -0.04 0.00 0.00 63.50 64.06 1b4s n PRO 151 Cb 0.29 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.53 1b4s n PRO 151 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1b4s n ASN 152 N -1.45 2.17 -0.03 3.54 3.02 -1.26 -4.01 115.26 117.23 1b4s n ASN 152 Ca 0.02 -1.86 -0.17 0.00 -0.03 0.00 0.00 54.58 52.54 1b4s n ASN 152 Cb 0.07 -0.19 -0.14 0.00 -0.61 0.00 0.00 39.78 38.91 1b4s n ASN 152 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1b4s n LEU 153 N 0.66 2.04 -4.26 3.41 4.77 -0.52 -4.98 117.00 118.13 1b4s n LEU 153 Ca 0.16 0.19 -0.27 0.00 -0.03 0.00 0.00 56.01 56.06 1b4s n LEU 153 Cb 0.38 -0.63 -0.15 0.00 -2.33 0.00 0.00 43.42 40.69 1b4s n LEU 153 CO 0.12 0.72 -0.53 -0.31 -1.33 0.00 0.00 177.39 176.06 1b4s s TYR 154 N -2.56 1.92 -2.16 -1.77 2.02 -1.26 -5.12 117.35 108.43 1b4s s TYR 154 Ca -0.19 -0.37 0.31 0.00 -0.37 0.00 0.00 57.07 56.44 1b4s s TYR 154 Cb 0.07 -1.18 1.63 0.00 -0.40 0.00 0.00 41.96 42.08 1b4s s TYR 154 CO 0.76 0.05 2.07 -1.91 -1.57 0.00 0.00 175.55 174.95