#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h51 s HIS 24 N 0.00 -0.00 -0.27 3.52 0.09 -1.26 -5.23 115.29 112.14 3h51 s HIS 24 Ca 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 55.06 55.06 3h51 s HIS 24 Cb 0.00 0.50 0.04 0.00 -0.00 0.00 0.00 32.58 33.12 3h51 s HIS 24 CO 0.00 -0.00 -0.05 0.71 -0.00 0.00 0.00 174.74 175.39 3h51 s TYR 25 N -1.18 3.18 -0.20 1.40 1.51 -1.26 -4.99 117.35 115.81 3h51 s TYR 25 Ca 0.10 -1.85 0.09 0.00 -1.01 0.00 0.00 57.07 54.40 3h51 s TYR 25 Cb -0.01 -2.04 -0.12 0.00 -0.11 0.00 0.00 41.96 39.67 3h51 s TYR 25 CO -0.08 -0.80 0.28 0.25 -1.11 0.00 0.00 175.55 174.10 3h51 n THR 26 N 4.60 0.00 -3.30 -0.71 -2.24 -1.26 -4.96 114.28 106.41 3h51 n THR 26 Ca -0.15 -0.25 -0.16 0.00 -2.27 0.00 0.00 64.05 61.22 3h51 n THR 26 Cb 0.45 0.61 0.03 0.00 -2.10 0.00 0.00 70.33 69.32 3h51 n THR 26 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3h51 n ASP 27 N -1.55 1.85 -4.41 3.42 8.00 -1.26 -5.10 116.55 117.50 3h51 n ASP 27 Ca -0.00 -2.26 -0.33 0.00 0.71 0.00 0.00 54.79 52.91 3h51 n ASP 27 Cb 0.19 -0.22 -0.14 0.00 -0.02 0.00 0.00 41.12 40.94 3h51 n ASP 27 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3h51 s LYS 28 N -3.89 3.48 -0.37 -1.24 1.02 -1.26 -4.19 119.74 113.28 3h51 s LYS 28 Ca 0.38 -0.63 -0.29 0.00 0.02 0.00 0.00 55.97 55.45 3h51 s LYS 28 Cb -0.03 -2.74 0.02 0.00 -0.52 0.00 0.00 37.83 34.56 3h51 s LYS 28 CO 0.24 0.21 1.09 0.00 -0.92 0.00 0.00 175.35 175.97 3h51 s ALA 29 N 0.40 3.39 0.50 5.17 0.00 -0.36 -4.97 121.76 125.88 3h51 s ALA 29 Ca -0.08 -0.20 -0.23 0.00 0.00 0.00 0.00 51.96 51.45 3h51 s ALA 29 Cb -0.15 -3.75 -0.06 0.00 0.00 0.00 0.00 23.12 19.16 3h51 s ALA 29 CO 0.04 -1.74 1.32 0.00 0.00 0.00 0.00 175.76 175.39 3h51 s ALA 30 N 3.91 2.96 0.56 0.00 0.00 -1.26 -4.91 121.76 123.03 3h51 s ALA 30 Ca 0.46 1.25 -0.21 0.00 0.00 0.00 0.00 51.96 53.47 3h51 s ALA 30 Cb -0.11 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 3h51 s ALA 30 CO 0.21 -1.13 1.32 -0.51 0.00 0.00 0.00 175.76 175.65 3h51 s LEU 31 N -3.17 3.80 -0.52 0.00 1.43 -1.26 -4.86 118.68 114.09 3h51 s LEU 31 Ca 0.67 2.69 -0.26 0.00 -1.03 0.00 0.00 54.13 56.19 3h51 s LEU 31 Cb -0.38 -4.35 -0.08 0.00 0.03 0.00 0.00 46.19 41.41 3h51 s LEU 31 CO 0.46 -1.61 2.42 -2.65 0.23 0.00 0.00 176.35 175.21 3h51 n PRO 32 N -1.18 0.99 0.22 1.29 -0.02 -1.26 -4.77 135.00 130.27 3h51 n PRO 32 Ca 0.11 -0.09 0.03 0.00 -2.02 0.00 0.00 63.50 61.53 3h51 n PRO 32 Cb 0.46 -3.48 0.15 0.00 -0.02 0.00 0.00 33.50 30.61 3h51 n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h51 h ALA 33 N 19.04 1.54 -2.66 3.55 0.00 -1.99 -3.39 119.26 135.35 3h51 h ALA 33 Ca -0.22 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 3h51 h ALA 33 Cb 1.24 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.84 3h51 h ALA 33 CO 1.15 -0.54 -0.43 0.34 0.00 0.00 0.00 179.25 179.76 3h51 s ASP 34 N -2.98 0.00 0.00 0.00 2.15 -1.26 -5.09 116.67 109.49 3h51 s ASP 34 Ca -0.01 -0.22 0.00 0.00 0.43 0.00 0.00 52.55 52.75 3h51 s ASP 34 Cb 0.02 0.24 0.00 0.00 -0.30 0.00 0.00 42.92 42.88 3h51 s ASP 34 CO 0.05 -0.44 0.00 0.61 -0.17 0.00 0.00 175.17 175.22 3h51 n GLY 35 N 1.18 -2.19 0.11 2.66 0.00 -1.26 -4.31 105.19 101.38 3h51 n GLY 35 Ca -0.21 -1.90 0.12 0.00 0.00 0.00 0.00 46.02 44.02 3h51 n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h51 h GLU 36 N 0.00 0.00 -0.01 1.61 4.39 -2.01 -2.40 114.58 116.17 3h51 h GLU 36 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3h51 h GLU 36 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3h51 h GLU 36 CO 0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 179.01 177.72 3h51 h ALA 37 N 2.05 1.78 -0.25 3.43 0.00 -1.94 -2.86 119.26 121.46 3h51 h ALA 37 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3h51 h ALA 37 Cb 0.98 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3h51 h ALA 37 CO 0.00 0.17 -0.04 -0.09 0.00 0.00 0.00 179.25 179.29 3h51 h ARG 38 N 0.01 0.47 -0.19 0.00 2.43 -1.62 0.00 114.38 115.48 3h51 h ARG 38 Ca 0.00 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 58.93 3h51 h ARG 38 Cb 0.23 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3h51 h ARG 38 CO 0.02 0.68 -0.19 0.93 -1.51 0.00 0.00 179.97 179.90 3h51 h GLU 39 N 0.23 0.33 -0.03 0.20 4.39 -1.51 0.20 114.58 118.40 3h51 h GLU 39 Ca 0.07 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3h51 h GLU 39 Cb 0.49 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3h51 h GLU 39 CO 0.02 0.52 -0.02 0.28 -1.16 0.00 0.00 179.01 178.65 3h51 h VAL 40 N 0.31 1.34 -0.70 3.13 2.07 -1.41 -3.20 116.25 117.78 3h51 h VAL 40 Ca 0.05 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.59 3h51 h VAL 40 Cb 0.51 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 3h51 h VAL 40 CO 0.03 0.28 0.46 0.00 0.02 0.00 0.00 177.57 178.36 3h51 h ALA 41 N 0.59 1.67 0.00 1.67 0.00 -0.58 -2.25 119.26 120.36 3h51 h ALA 41 Ca 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h51 h ALA 41 Cb 0.46 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3h51 h ALA 41 CO 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 179.25 179.47 3h51 h ALA 42 N 1.61 1.01 -0.57 0.00 0.00 -0.64 -2.91 119.26 117.76 3h51 h ALA 42 Ca 0.29 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.23 3h51 h ALA 42 Cb 0.18 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3h51 h ALA 42 CO -0.09 0.03 0.38 -0.07 0.00 0.00 0.00 179.25 179.49 3h51 h LEU 43 N 0.00 0.52 -1.28 0.00 3.38 -1.40 -0.41 115.31 116.11 3h51 h LEU 43 Ca -0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3h51 h LEU 43 Cb 0.50 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3h51 h LEU 43 CO 0.00 0.35 0.39 0.15 0.09 0.00 0.00 178.44 179.42 3h51 h PHE 44 N 0.59 0.85 -0.80 1.13 3.57 -1.68 -1.97 116.94 118.63 3h51 h PHE 44 Ca 0.24 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 3h51 h PHE 44 Cb 0.19 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 3h51 h PHE 44 CO -0.00 0.57 0.44 -0.44 -2.23 0.00 0.00 178.31 176.65 3h51 h ASP 45 N 0.90 0.99 -0.02 0.41 3.32 -1.25 0.24 116.42 121.00 3h51 h ASP 45 Ca 0.24 -0.08 -0.16 0.00 0.02 0.00 0.00 57.03 57.05 3h51 h ASP 45 Cb -0.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 3h51 h ASP 45 CO -0.04 0.79 -0.51 0.74 -1.72 0.00 0.00 179.24 178.50 3h51 h THR 46 N 1.12 1.31 -0.09 0.35 2.02 -1.22 -1.20 112.91 115.19 3h51 h THR 46 Ca 0.28 -1.73 -0.03 0.00 0.77 0.00 0.00 66.41 65.70 3h51 h THR 46 Cb 0.02 1.70 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 3h51 h THR 46 CO -0.05 0.54 -0.04 -0.25 0.37 0.00 0.00 175.52 176.09 3h51 h TRP 47 N 0.46 0.22 -0.61 3.16 7.01 -0.86 -1.08 115.95 124.26 3h51 h TRP 47 Ca 0.02 -0.05 0.09 0.00 2.11 0.00 0.00 58.89 61.06 3h51 h TRP 47 Cb 1.05 -0.05 -0.07 0.00 -2.10 0.00 0.00 29.16 27.99 3h51 h TRP 47 CO 0.05 0.55 0.23 -0.97 -2.79 0.00 0.00 178.44 175.51 3h51 h ASN 48 N -0.17 0.23 -0.95 2.65 -1.24 -0.51 -1.42 115.58 114.17 3h51 h ASN 48 Ca 0.02 0.08 0.01 0.00 0.71 0.00 0.00 56.30 57.12 3h51 h ASN 48 Cb 0.49 0.06 -0.05 0.00 0.73 0.00 0.00 38.32 39.55 3h51 h ASN 48 CO 0.01 0.14 0.63 0.00 -1.29 0.00 0.00 177.43 176.92 3h51 h ALA 49 N 1.42 1.33 -0.97 1.57 0.00 -1.08 -1.93 119.26 119.60 3h51 h ALA 49 Ca 0.31 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3h51 h ALA 49 Cb 0.38 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3h51 h ALA 49 CO -0.31 0.61 0.65 0.00 0.00 0.00 0.00 179.25 180.20 3h51 h ALA 50 N 1.42 1.32 -0.78 0.00 0.00 -0.36 -2.32 119.26 118.54 3h51 h ALA 50 Ca 0.35 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.23 3h51 h ALA 50 Cb -0.13 -0.39 -0.05 0.00 0.00 0.00 0.00 17.79 17.22 3h51 h ALA 50 CO -0.08 0.63 0.49 -0.07 0.00 0.00 0.00 179.25 180.22 3h51 h LEU 51 N 1.31 0.80 -1.53 0.00 3.38 -0.50 -2.17 115.31 116.59 3h51 h LEU 51 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3h51 h LEU 51 Cb -0.13 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.45 3h51 h LEU 51 CO -0.08 0.54 0.00 0.00 0.09 0.00 0.00 178.44 178.99 3h51 h ALA 52 N 1.34 1.00 0.00 1.53 0.00 -1.09 -1.35 119.26 120.69 3h51 h ALA 52 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3h51 h ALA 52 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3h51 h ALA 52 CO -0.13 0.00 0.00 1.79 0.00 0.00 0.00 179.25 180.91 3h51 h THR 53 N 0.00 0.00 0.00 0.00 1.35 -1.24 -3.47 112.91 109.56 3h51 h THR 53 Ca 0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3h51 h THR 53 Cb 0.38 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 3h51 h THR 53 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3h51 n GLY 54 N -0.01 0.19 3.39 5.82 0.00 -0.51 -4.99 105.19 109.07 3h51 n GLY 54 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3h51 n GLY 54 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h51 s ASN 55 N -2.03 6.04 0.52 1.61 0.01 -1.26 -4.97 114.94 114.86 3h51 s ASN 55 Ca 0.00 -1.24 0.18 0.00 -0.71 0.00 0.00 52.86 51.09 3h51 s ASN 55 Cb 0.00 -2.14 1.31 0.00 0.41 0.00 0.00 41.25 40.83 3h51 s ASN 55 CO 0.00 -0.57 2.14 -0.65 -1.51 0.00 0.00 177.10 176.51 3h51 h PRO 56 N 8.66 0.00 -0.42 -0.60 0.11 -1.91 -1.59 132.00 136.25 3h51 h PRO 56 Ca -0.27 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.73 3h51 h PRO 56 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3h51 h PRO 56 CO 0.81 0.02 -0.17 0.45 -0.21 0.00 0.00 178.00 178.90 3h51 h HIS 57 N 0.00 0.89 -0.54 0.65 3.86 -1.93 -0.12 115.15 117.96 3h51 h HIS 57 Ca -0.00 -0.19 -0.09 0.00 -1.16 0.00 0.00 60.37 58.93 3h51 h HIS 57 Cb 0.04 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 3h51 h HIS 57 CO 0.00 0.91 -0.02 0.87 0.86 0.00 0.00 177.93 180.55 3h51 h LYS 58 N 0.71 0.93 -0.29 2.45 1.57 -1.66 -1.24 116.57 119.04 3h51 h LYS 58 Ca 0.11 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 3h51 h LYS 58 Cb 0.68 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 3h51 h LYS 58 CO 0.05 0.93 0.00 0.28 -0.57 0.00 0.00 179.45 180.15 3h51 h VAL 59 N 0.86 1.25 -0.55 0.50 2.07 -1.33 -3.13 116.25 115.93 3h51 h VAL 59 Ca 0.16 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.77 3h51 h VAL 59 Cb 0.53 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3h51 h VAL 59 CO 0.03 0.29 0.36 0.00 0.02 0.00 0.00 177.57 178.27 3h51 h ALA 60 N 0.83 1.64 -0.24 1.67 0.00 -0.88 -1.86 119.26 120.42 3h51 h ALA 60 Ca 0.08 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3h51 h ALA 60 Cb 0.42 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3h51 h ALA 60 CO 0.01 0.32 0.40 -0.44 0.00 0.00 0.00 179.25 179.55 3h51 h ASP 61 N 0.71 0.00 0.48 0.00 3.32 -1.17 -1.49 116.42 118.27 3h51 h ASP 61 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3h51 h ASP 61 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3h51 h ASP 61 CO -0.05 0.00 -0.31 0.18 -1.72 0.00 0.00 179.24 177.34 3h51 n LEU 62 N -3.39 0.56 -4.88 1.55 4.77 -0.70 -4.83 117.00 110.09 3h51 n LEU 62 Ca 0.03 -0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.66 3h51 n LEU 62 Cb 0.52 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 3h51 n LEU 62 CO 0.22 0.12 -0.08 -0.31 -1.33 0.00 0.00 177.39 176.01 3h51 s TYR 63 N -2.79 3.61 0.54 -1.77 1.51 -0.56 -0.35 117.35 117.54 3h51 s TYR 63 Ca 0.18 0.61 -0.21 0.00 -1.01 0.00 0.00 57.07 56.64 3h51 s TYR 63 Cb 0.19 -2.01 -0.05 0.00 -0.11 0.00 0.00 41.96 39.98 3h51 s TYR 63 CO 0.60 0.66 1.28 0.00 -1.11 0.00 0.00 175.55 176.98 3h51 s ALA 64 N -1.17 2.76 0.48 3.71 0.00 0.10 -4.73 121.76 122.90 3h51 s ALA 64 Ca 0.23 1.17 0.23 0.00 0.00 0.00 0.00 51.96 53.59 3h51 s ALA 64 Cb -0.13 -3.50 1.27 0.00 0.00 0.00 0.00 23.12 20.75 3h51 s ALA 64 CO 0.12 -1.20 1.90 -1.35 0.00 0.00 0.00 175.76 175.23 3h51 h PRO 65 N 1.40 0.20 -0.63 0.00 0.11 -1.93 0.12 132.00 131.26 3h51 h PRO 65 Ca -0.50 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3h51 h PRO 65 Cb 1.29 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3h51 h PRO 65 CO 0.57 0.13 0.04 -0.40 -0.21 0.00 0.00 178.00 178.13 3h51 n ASP 66 N -4.41 5.40 -4.75 -2.05 5.75 -1.26 -4.30 116.55 110.93 3h51 n ASP 66 Ca 0.17 -2.92 -0.30 0.00 -0.01 0.00 0.00 54.79 51.72 3h51 n ASP 66 Cb 0.75 -0.69 0.12 0.00 -1.03 0.00 0.00 41.12 40.26 3h51 n ASP 66 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3h51 s GLY 67 N -0.76 1.63 -0.07 6.12 0.00 0.43 -4.97 107.32 109.70 3h51 s GLY 67 Ca 0.52 -0.03 -0.00 0.00 0.00 0.00 0.00 44.72 45.21 3h51 s GLY 67 CO 0.15 0.42 -0.04 0.14 0.00 0.00 0.00 173.10 173.77 3h51 s VAL 68 N -2.98 0.58 -0.16 1.40 1.01 -0.44 -4.38 120.40 115.43 3h51 s VAL 68 Ca 0.62 -0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.52 3h51 s VAL 68 Cb -0.17 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 3h51 s VAL 68 CO 0.56 0.27 -0.13 -0.22 0.00 0.00 0.00 175.10 175.57 3h51 s LEU 69 N 1.41 2.58 -0.54 3.92 2.96 0.20 -1.00 118.68 128.22 3h51 s LEU 69 Ca -0.03 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 3h51 s LEU 69 Cb -0.13 -1.60 0.14 0.00 0.50 0.00 0.00 46.19 45.10 3h51 s LEU 69 CO -0.03 0.09 0.31 -0.76 -1.32 0.00 0.00 176.35 174.64 3h51 s LEU 70 N 0.79 4.67 0.63 -0.68 1.02 0.86 -0.63 118.68 125.35 3h51 s LEU 70 Ca -0.05 -2.89 -0.03 0.00 0.02 0.00 0.00 54.13 51.18 3h51 s LEU 70 Cb -0.15 -1.72 0.05 0.00 0.02 0.00 0.00 46.19 44.39 3h51 s LEU 70 CO 0.01 -0.29 0.90 -2.16 0.02 0.00 0.00 176.35 174.83 3h51 s PRO 71 N -0.11 2.33 0.15 1.29 0.04 -1.26 -0.63 135.00 136.80 3h51 s PRO 71 Ca 0.16 -0.53 -0.16 0.00 0.04 0.00 0.00 61.00 60.51 3h51 s PRO 71 Cb -0.24 -2.32 0.03 0.00 0.04 0.00 0.00 34.50 32.01 3h51 s PRO 71 CO -0.02 -1.01 1.79 1.15 0.04 0.00 0.00 177.00 178.95 3h51 h THR 72 N -0.29 1.02 -0.12 1.26 2.02 -1.91 -3.34 112.91 111.55 3h51 h THR 72 Ca -0.43 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.61 3h51 h THR 72 Cb 1.31 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 3h51 h THR 72 CO 0.56 0.07 0.00 1.33 0.37 0.00 0.00 175.52 177.85 3h51 n VAL 73 N -4.90 0.61 -4.84 3.16 0.24 -1.26 -4.60 118.33 106.74 3h51 n VAL 73 Ca 0.00 -0.80 -0.26 0.00 -2.04 0.00 0.00 64.34 61.24 3h51 n VAL 73 Cb 0.07 0.75 -0.16 0.00 -1.47 0.00 0.00 33.84 33.03 3h51 n VAL 73 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3h51 s SER 74 N -0.81 2.15 0.53 -1.34 0.15 -1.25 -5.02 113.70 108.10 3h51 s SER 74 Ca 0.11 -0.35 0.32 0.00 0.70 0.00 0.00 55.95 56.73 3h51 s SER 74 Cb 0.06 -0.52 1.17 0.00 -1.71 0.00 0.00 66.02 65.02 3h51 s SER 74 CO 0.08 0.17 1.91 0.78 1.20 0.00 0.00 173.24 177.38 3h51 h ASN 75 N 6.13 0.00 -3.28 5.45 4.21 -1.94 -3.39 115.58 122.76 3h51 h ASN 75 Ca -0.34 0.00 -0.60 0.00 1.21 0.00 0.00 56.30 56.58 3h51 h ASN 75 Cb 1.17 0.00 -0.11 0.00 -1.12 0.00 0.00 38.32 38.26 3h51 h ASN 75 CO 0.48 0.00 0.64 -0.70 -1.29 0.00 0.00 177.43 176.56 3h51 s GLU 76 N -3.58 3.40 0.35 0.81 2.12 -1.26 -5.03 118.70 115.51 3h51 s GLU 76 Ca 0.02 -0.11 -0.28 0.00 0.36 0.00 0.00 54.97 54.96 3h51 s GLU 76 Cb 0.08 -4.03 -0.11 0.00 0.26 0.00 0.00 34.13 30.34 3h51 s GLU 76 CO 0.57 -1.48 1.43 0.08 -0.54 0.00 0.00 175.26 175.33 3h51 s VAL 77 N 4.09 2.28 -0.25 3.70 1.01 -1.26 -4.74 120.40 125.23 3h51 s VAL 77 Ca 0.34 0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 3h51 s VAL 77 Cb -0.11 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.10 3h51 s VAL 77 CO 0.21 0.06 -0.03 -0.13 0.00 0.00 0.00 175.10 175.22 3h51 s ARG 78 N -1.85 3.06 -0.10 2.72 1.81 0.20 -4.97 118.95 119.82 3h51 s ARG 78 Ca 0.52 -0.84 0.15 0.00 -1.72 0.00 0.00 55.73 53.84 3h51 s ARG 78 Cb -0.44 -3.07 0.33 0.00 -0.45 0.00 0.00 34.95 31.31 3h51 s ARG 78 CO 0.58 -0.34 1.15 0.00 -0.68 0.00 0.00 175.30 176.02 3h51 n ALA 79 N 4.75 2.73 -2.74 2.13 0.00 -1.26 -0.63 120.51 125.49 3h51 n ALA 79 Ca -0.17 -2.50 -0.10 0.00 0.00 0.00 0.00 53.44 50.67 3h51 n ALA 79 Cb 0.48 -0.49 -0.09 0.00 0.00 0.00 0.00 19.45 19.35 3h51 n ALA 79 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3h51 s SER 80 N -2.43 0.12 0.19 0.00 1.04 -1.26 -4.86 113.70 106.49 3h51 s SER 80 Ca 0.29 -0.49 -0.13 0.00 0.48 0.00 0.00 55.95 56.10 3h51 s SER 80 Cb 0.29 0.27 0.21 0.00 0.10 0.00 0.00 66.02 66.89 3h51 s SER 80 CO -0.07 -0.56 1.68 -0.09 0.98 0.00 0.00 173.24 175.18 3h51 h ARG 81 N 3.43 0.13 -0.44 4.02 2.43 -1.90 -1.22 114.38 120.82 3h51 h ARG 81 Ca -0.33 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 58.93 3h51 h ARG 81 Cb 1.19 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.63 3h51 h ARG 81 CO 0.51 0.08 -0.11 1.49 -1.51 0.00 0.00 179.97 180.43 3h51 h GLU 82 N 0.13 -0.00 -0.66 0.20 4.57 -1.96 0.12 114.58 116.97 3h51 h GLU 82 Ca 0.27 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.40 3h51 h GLU 82 Cb 0.40 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 3h51 h GLU 82 CO -0.43 -0.00 0.24 1.96 -1.18 0.00 0.00 179.01 179.60 3h51 h GLN 83 N -0.00 1.00 -0.19 1.92 4.20 -1.81 -0.59 115.11 119.63 3h51 h GLN 83 Ca 0.21 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 3h51 h GLN 83 Cb 0.33 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3h51 h GLN 83 CO -0.46 0.85 0.03 0.82 -0.67 0.00 0.00 178.83 179.40 3h51 h ILE 84 N 0.94 1.23 -0.59 2.54 2.04 -0.81 -2.34 117.51 120.52 3h51 h ILE 84 Ca 0.22 -0.74 0.06 0.00 1.00 0.00 0.00 64.86 65.40 3h51 h ILE 84 Cb 0.25 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 3h51 h ILE 84 CO -0.01 0.23 0.28 -0.33 0.00 0.00 0.00 178.15 178.32 3h51 h GLU 85 N 0.11 0.51 -0.85 2.37 5.08 -0.54 -2.13 114.58 119.12 3h51 h GLU 85 Ca 0.06 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 3h51 h GLU 85 Cb 0.32 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 3h51 h GLU 85 CO 0.00 0.34 0.50 -0.97 -1.00 0.00 0.00 179.01 177.89 3h51 h ASN 86 N 0.53 0.74 -0.34 1.42 -0.73 -1.02 0.10 115.58 116.27 3h51 h ASN 86 Ca 0.27 0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.46 3h51 h ASN 86 Cb 0.23 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.70 3h51 h ASN 86 CO -0.21 0.43 0.12 0.22 -0.37 0.00 0.00 177.43 177.62 3h51 h TYR 87 N 0.85 0.54 -0.01 0.67 3.20 -0.84 -3.16 116.97 118.23 3h51 h TYR 87 Ca 0.40 -0.05 -0.14 0.00 3.14 0.00 0.00 58.73 62.09 3h51 h TYR 87 Cb 0.34 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 3h51 h TYR 87 CO -0.05 0.52 -0.63 0.74 -1.64 0.00 0.00 178.16 177.10 3h51 h PHE 88 N 0.41 0.05 0.00 -3.82 0.04 -0.89 0.70 116.94 113.43 3h51 h PHE 88 Ca 0.11 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.86 3h51 h PHE 88 Cb 0.23 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.37 3h51 h PHE 88 CO 0.00 0.66 0.00 -1.91 -0.60 0.00 0.00 178.31 176.47 3h51 n GLU 89 N -3.80 0.00 0.00 1.51 2.13 0.30 -0.76 120.64 120.03 3h51 n GLU 89 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 3h51 n GLU 89 Cb 0.63 -1.06 0.00 0.00 0.27 0.00 0.00 31.44 31.28 3h51 n GLU 89 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3h51 n PHE 91 N -0.38 0.00 0.39 4.31 7.35 0.24 -3.83 117.46 125.54 3h51 n PHE 91 Ca 0.00 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 3h51 n PHE 91 Cb 0.00 0.00 0.51 0.00 0.35 0.00 0.00 39.48 40.34 3h51 n PHE 91 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3h51 h LEU 92 N 0.00 0.00 -1.85 -2.13 3.38 -1.19 -1.99 115.31 111.53 3h51 h LEU 92 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3h51 h LEU 92 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h51 h LEU 92 CO 0.00 0.00 -0.05 0.71 0.09 0.00 0.00 178.44 179.19 3h51 h THR 93 N 0.00 0.17 -0.05 0.22 1.35 -1.79 -1.52 112.91 111.29 3h51 h THR 93 Ca 0.00 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3h51 h THR 93 Cb 0.43 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3h51 h THR 93 CO 0.00 0.05 0.00 0.29 -0.25 0.00 0.00 175.52 175.61 3h51 n LYS 94 N -3.23 1.14 -3.92 4.72 5.02 -0.75 -4.90 118.16 116.24 3h51 n LYS 94 Ca -0.01 -0.22 -0.25 0.00 -2.02 0.00 0.00 58.31 55.82 3h51 n LYS 94 Cb 0.26 -1.19 -0.01 0.00 -0.02 0.00 0.00 35.03 34.06 3h51 n LYS 94 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3h51 n LYS 95 N -0.46 -3.51 -2.25 1.97 5.02 -0.57 -0.38 118.16 117.97 3h51 n LYS 95 Ca 0.09 0.43 -0.38 0.00 -2.02 0.00 0.00 58.31 56.43 3h51 n LYS 95 Cb 0.09 -4.62 -0.02 0.00 -0.02 0.00 0.00 35.03 30.46 3h51 n LYS 95 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3h51 s PRO 96 N -6.48 4.04 -0.07 1.97 0.04 -1.26 -4.60 135.00 128.65 3h51 s PRO 96 Ca 0.00 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.94 3h51 s PRO 96 Cb -0.00 -2.69 0.02 0.00 0.04 0.00 0.00 34.50 31.87 3h51 s PRO 96 CO 0.88 -0.35 -0.05 0.15 0.04 0.00 0.00 177.00 177.67 3h51 s LYS 97 N -2.28 1.06 0.07 4.56 -0.14 -0.79 -4.58 119.74 117.63 3h51 s LYS 97 Ca 0.57 -0.14 0.03 0.00 -1.36 0.00 0.00 55.97 55.08 3h51 s LYS 97 Cb -0.32 -1.11 -0.04 0.00 -1.68 0.00 0.00 37.83 34.68 3h51 s LYS 97 CO 0.40 -0.15 0.04 0.20 -0.76 0.00 0.00 175.35 175.08 3h51 s GLY 98 N 1.27 1.96 -0.04 -3.33 0.00 -1.26 -0.44 107.32 105.49 3h51 s GLY 98 Ca -0.05 -1.03 -0.00 0.00 0.00 0.00 0.00 44.72 43.63 3h51 s GLY 98 CO -0.02 -0.99 0.02 0.14 0.00 0.00 0.00 173.10 172.25 3h51 s VAL 99 N -1.30 0.12 -0.13 1.40 1.01 0.03 -4.96 120.40 116.57 3h51 s VAL 99 Ca 0.26 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 3h51 s VAL 99 Cb -0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 3h51 s VAL 99 CO 0.18 0.16 1.10 -0.63 0.00 0.00 0.00 175.10 175.92 3h51 s ILE 100 N 1.43 4.55 -0.12 2.22 -1.09 -1.26 -0.49 121.20 126.44 3h51 s ILE 100 Ca -0.04 1.85 0.10 0.00 -2.23 0.00 0.00 60.65 60.32 3h51 s ILE 100 Cb -0.13 -4.19 -0.24 0.00 -1.58 0.00 0.00 42.46 36.33 3h51 s ILE 100 CO -0.03 -0.06 0.38 0.59 -1.23 0.00 0.00 174.94 174.59 3h51 n ASN 101 N 5.63 0.97 -3.70 3.58 4.13 0.25 -1.22 115.26 124.89 3h51 n ASN 101 Ca 0.11 0.22 -0.11 0.00 1.68 0.00 0.00 54.58 56.49 3h51 n ASN 101 Cb 0.47 0.04 -0.11 0.00 -1.54 0.00 0.00 39.78 38.64 3h51 n ASN 101 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3h51 s TYR 102 N -2.56 -0.57 -0.01 3.10 6.14 -0.85 -3.78 117.35 118.83 3h51 s TYR 102 Ca -0.12 1.23 0.03 0.00 0.64 0.00 0.00 57.07 58.85 3h51 s TYR 102 Cb 0.07 0.24 -0.01 0.00 0.42 0.00 0.00 41.96 42.69 3h51 s TYR 102 CO 0.80 -0.33 -0.10 0.50 0.64 0.00 0.00 175.55 177.06 3h51 s ARG 103 N 1.39 0.78 -0.05 4.97 3.52 -1.26 -1.36 118.95 126.95 3h51 s ARG 103 Ca -0.09 -0.34 0.05 0.00 -0.13 0.00 0.00 55.73 55.21 3h51 s ARG 103 Cb -0.09 -0.76 -0.00 0.00 -1.56 0.00 0.00 34.95 32.54 3h51 s ARG 103 CO -0.12 0.20 -0.20 0.95 -0.81 0.00 0.00 175.30 175.32 3h51 s THR 104 N -0.21 1.67 -0.09 4.11 -4.23 0.41 -4.99 115.64 112.31 3h51 s THR 104 Ca 0.03 -0.84 0.03 0.00 -1.18 0.00 0.00 61.69 59.73 3h51 s THR 104 Cb -0.04 -1.43 -0.01 0.00 1.34 0.00 0.00 72.50 72.36 3h51 s THR 104 CO -0.00 0.47 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.68 3h51 s VAL 105 N 0.02 2.64 -0.13 2.29 1.01 -1.26 -1.57 120.40 123.40 3h51 s VAL 105 Ca -0.05 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 3h51 s VAL 105 Cb -0.13 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.23 3h51 s VAL 105 CO 0.03 0.55 -0.11 -0.13 0.00 0.00 0.00 175.10 175.45 3h51 s ARG 106 N 0.02 1.89 -0.17 2.72 1.81 0.43 -5.00 118.95 120.67 3h51 s ARG 106 Ca -0.06 -0.42 -0.20 0.00 -1.72 0.00 0.00 55.73 53.33 3h51 s ARG 106 Cb -0.15 -1.87 -0.03 0.00 -0.45 0.00 0.00 34.95 32.45 3h51 s ARG 106 CO 0.05 -0.26 0.57 -0.51 -0.68 0.00 0.00 175.30 174.46 3h51 s LEU 107 N 1.60 4.19 -0.15 2.53 1.43 -1.26 -0.53 118.68 126.49 3h51 s LEU 107 Ca 0.05 0.82 -0.10 0.00 -1.03 0.00 0.00 54.13 53.86 3h51 s LEU 107 Cb -0.13 -2.81 -0.05 0.00 0.03 0.00 0.00 46.19 43.23 3h51 s LEU 107 CO -0.09 -0.17 -0.09 -0.07 0.23 0.00 0.00 176.35 176.16 3h51 h LEU 108 N 7.63 0.00 0.00 1.79 3.38 -1.13 -3.48 115.31 123.50 3h51 h LEU 108 Ca -0.35 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3h51 h LEU 108 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3h51 h LEU 108 CO 0.76 0.83 0.00 -0.90 0.09 0.00 0.00 178.44 179.22 3h51 n ASP 109 N -4.61 0.56 -0.18 -0.43 5.75 -1.13 -4.96 116.55 111.55 3h51 n ASP 109 Ca -0.10 -0.97 0.29 0.00 -0.01 0.00 0.00 54.79 54.00 3h51 n ASP 109 Cb 0.30 0.00 0.73 0.00 -1.03 0.00 0.00 41.12 41.11 3h51 n ASP 109 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 3h51 h ASP 110 N 0.00 0.00 0.00 -1.12 3.04 -2.03 -3.08 116.42 113.22 3h51 h ASP 110 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3h51 h ASP 110 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3h51 h ASP 110 CO 0.00 0.00 -0.00 0.47 -2.04 0.00 0.00 179.24 177.67 3h51 n ASP 111 N -4.24 1.99 -3.83 4.15 8.00 -1.26 -4.90 116.55 116.45 3h51 n ASP 111 Ca 0.18 -2.20 -0.12 0.00 0.71 0.00 0.00 54.79 53.37 3h51 n ASP 111 Cb 0.97 -0.09 -0.09 0.00 -0.02 0.00 0.00 41.12 41.89 3h51 n ASP 111 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3h51 s SER 112 N -1.36 -0.04 0.10 -2.24 1.04 -1.17 -0.59 113.70 109.43 3h51 s SER 112 Ca 0.07 -0.16 -0.23 0.00 0.48 0.00 0.00 55.95 56.11 3h51 s SER 112 Cb 0.06 0.26 0.06 0.00 0.10 0.00 0.00 66.02 66.50 3h51 s SER 112 CO 0.01 -0.45 0.56 0.00 0.98 0.00 0.00 173.24 174.33 3h51 s ALA 113 N -1.70 -1.44 -0.11 5.32 0.00 -0.63 -0.46 121.76 122.75 3h51 s ALA 113 Ca -0.12 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.39 3h51 s ALA 113 Cb -0.05 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.70 3h51 s ALA 113 CO 0.01 -0.63 -0.15 0.08 0.00 0.00 0.00 175.76 175.07 3h51 s VAL 114 N -3.11 1.47 -0.24 0.00 1.01 0.31 -0.36 120.40 119.48 3h51 s VAL 114 Ca -0.02 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 3h51 s VAL 114 Cb -0.00 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 35.04 3h51 s VAL 114 CO -0.07 0.44 -0.04 -0.62 0.00 0.00 0.00 175.10 174.80 3h51 s ASP 115 N 0.99 4.37 0.01 3.32 -1.08 -0.05 -0.42 116.67 123.79 3h51 s ASP 115 Ca -0.07 -0.67 -0.02 0.00 -0.52 0.00 0.00 52.55 51.28 3h51 s ASP 115 Cb -0.15 -1.71 -0.01 0.00 -1.46 0.00 0.00 42.92 39.59 3h51 s ASP 115 CO -0.01 -0.09 0.02 0.00 0.52 0.00 0.00 175.17 175.61 3h51 s ALA 116 N 1.40 -0.03 0.00 3.66 0.00 -0.61 -0.01 121.76 126.18 3h51 s ALA 116 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3h51 s ALA 116 Cb -0.16 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.06 3h51 s ALA 116 CO -0.03 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 175.99 3h51 n GLY 117 N 1.88 -0.61 2.95 0.00 0.00 -0.05 -0.44 105.19 108.92 3h51 n GLY 117 Ca -0.21 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 3h51 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h51 s VAL 118 N -1.67 0.54 0.14 1.61 1.01 -0.46 -0.91 120.40 120.65 3h51 s VAL 118 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 3h51 s VAL 118 Cb 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 3h51 s VAL 118 CO 0.00 0.18 0.08 -0.72 0.00 0.00 0.00 175.10 174.64 3h51 s TYR 119 N 0.27 0.85 -0.10 5.22 -0.85 0.33 -0.59 117.35 122.48 3h51 s TYR 119 Ca -0.03 -1.21 0.02 0.00 -0.52 0.00 0.00 57.07 55.33 3h51 s TYR 119 Cb -0.08 -0.46 0.01 0.00 0.38 0.00 0.00 41.96 41.82 3h51 s TYR 119 CO -0.00 -0.54 -0.16 0.99 -1.52 0.00 0.00 175.55 174.32 3h51 s THR 120 N -4.05 1.50 -0.15 -3.49 2.01 0.36 -0.37 115.64 111.45 3h51 s THR 120 Ca 0.25 -0.66 -0.12 0.00 0.31 0.00 0.00 61.69 61.47 3h51 s THR 120 Cb 0.07 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.18 3h51 s THR 120 CO 0.02 0.44 0.24 -0.36 -0.69 0.00 0.00 174.62 174.27 3h51 s PHE 121 N 0.82 3.50 -0.27 4.92 0.08 -0.20 -0.79 117.98 126.04 3h51 s PHE 121 Ca -0.10 0.56 -0.15 0.00 0.12 0.00 0.00 56.93 57.35 3h51 s PHE 121 Cb -0.16 -2.22 -0.03 0.00 -0.57 0.00 0.00 43.02 40.04 3h51 s PHE 121 CO 0.01 0.38 0.40 0.99 -0.10 0.00 0.00 175.22 176.90 3h51 s THR 122 N 0.01 5.15 0.06 0.64 2.01 0.42 -0.65 115.64 123.29 3h51 s THR 122 Ca 0.15 0.59 0.07 0.00 0.31 0.00 0.00 61.69 62.80 3h51 s THR 122 Cb -0.13 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 3h51 s THR 122 CO 0.03 0.12 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.17 3h51 s LEU 123 N 2.12 2.76 -0.15 4.42 1.43 0.58 -1.88 118.68 127.96 3h51 s LEU 123 Ca 0.16 -0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 52.85 3h51 s LEU 123 Cb -0.16 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 3h51 s LEU 123 CO 0.10 0.23 -0.14 -0.89 0.23 0.00 0.00 176.35 175.88 3h51 s THR 124 N -1.02 2.77 0.87 5.49 2.01 0.49 -1.15 115.64 125.11 3h51 s THR 124 Ca 0.17 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.32 3h51 s THR 124 Cb -0.11 -2.18 0.17 0.00 0.01 0.00 0.00 72.50 70.40 3h51 s THR 124 CO 0.08 0.51 1.21 1.51 -0.69 0.00 0.00 174.62 177.23 3h51 s ASP 125 N 0.77 3.59 0.32 3.53 1.47 -0.51 -4.37 116.67 121.47 3h51 s ASP 125 Ca -0.06 0.08 0.23 0.00 1.18 0.00 0.00 52.55 53.98 3h51 s ASP 125 Cb -0.15 -0.25 1.15 0.00 -0.34 0.00 0.00 42.92 43.32 3h51 s ASP 125 CO 0.01 -2.40 1.71 0.07 0.68 0.00 0.00 175.17 175.24 3h51 h LYS 126 N -1.24 0.00 -0.37 2.11 2.10 -1.92 -0.43 116.57 116.82 3h51 h LYS 126 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 3h51 h LYS 126 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3h51 h LYS 126 CO 0.40 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.94 3h51 n ASN 127 N -2.30 2.98 0.00 7.07 3.02 -1.26 -4.97 115.26 119.80 3h51 n ASN 127 Ca -0.00 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 3h51 n ASN 127 Cb 0.12 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 3h51 n ASN 127 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h51 n GLY 128 N 1.41 0.77 3.71 7.41 0.00 -0.17 -5.03 105.19 113.29 3h51 n GLY 128 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3h51 n GLY 128 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h51 s LYS 129 N -0.17 4.54 0.05 1.61 2.20 -1.26 -4.73 119.74 121.99 3h51 s LYS 129 Ca 0.00 1.46 -0.13 0.00 -0.36 0.00 0.00 55.97 56.95 3h51 s LYS 129 Cb 0.00 -3.45 -0.06 0.00 -1.51 0.00 0.00 37.83 32.82 3h51 s LYS 129 CO 0.00 -0.07 0.42 0.15 -0.36 0.00 0.00 175.35 175.49 3h51 s LYS 130 N 1.01 3.86 0.07 4.03 1.02 -1.26 -1.43 119.74 127.04 3h51 s LYS 130 Ca 0.53 0.32 -0.01 0.00 0.02 0.00 0.00 55.97 56.82 3h51 s LYS 130 Cb -0.22 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 3h51 s LYS 130 CO 0.28 0.61 -0.00 -1.54 -0.92 0.00 0.00 175.35 173.78 3h51 s SER 131 N -1.46 0.44 -0.10 2.83 1.04 -0.30 -4.99 113.70 111.16 3h51 s SER 131 Ca 0.30 -1.03 -0.01 0.00 0.48 0.00 0.00 55.95 55.69 3h51 s SER 131 Cb -0.15 0.23 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 3h51 s SER 131 CO 0.16 -0.63 -0.08 -1.81 0.98 0.00 0.00 173.24 171.86 3h51 s ASP 132 N -2.94 4.53 -0.20 7.02 1.11 -1.26 -0.30 116.67 124.62 3h51 s ASP 132 Ca 0.10 -0.12 0.01 0.00 0.18 0.00 0.00 52.55 52.72 3h51 s ASP 132 Cb 0.08 -1.42 0.04 0.00 1.07 0.00 0.00 42.92 42.69 3h51 s ASP 132 CO -0.08 0.27 -0.13 -0.69 1.18 0.00 0.00 175.17 175.72 3h51 s VAL 133 N -0.23 1.82 0.19 -1.27 1.01 0.18 -4.98 120.40 117.12 3h51 s VAL 133 Ca 0.03 -1.06 -0.16 0.00 0.00 0.00 0.00 61.98 60.79 3h51 s VAL 133 Cb -0.13 -1.82 -0.08 0.00 0.00 0.00 0.00 36.38 34.36 3h51 s VAL 133 CO 0.03 0.25 0.62 -1.58 0.00 0.00 0.00 175.10 174.42 3h51 s GLN 134 N 1.33 4.06 0.03 2.72 0.74 -1.26 -1.03 119.66 126.25 3h51 s GLN 134 Ca -0.00 0.62 -0.15 0.00 0.05 0.00 0.00 55.36 55.87 3h51 s GLN 134 Cb -0.16 -2.85 0.03 0.00 1.10 0.00 0.00 33.01 31.13 3h51 s GLN 134 CO -0.09 0.41 0.34 0.00 -0.55 0.00 0.00 175.29 175.40 3h51 s ALA 135 N -1.55 -0.80 0.39 1.58 0.00 0.50 -4.54 121.76 117.33 3h51 s ALA 135 Ca 0.42 0.18 -0.10 0.00 0.00 0.00 0.00 51.96 52.45 3h51 s ALA 135 Cb -0.15 0.26 -0.07 0.00 0.00 0.00 0.00 23.12 23.17 3h51 s ALA 135 CO 0.20 -0.38 0.75 1.03 0.00 0.00 0.00 175.76 177.35 3h51 s ARG 136 N -2.21 3.79 0.03 0.00 3.00 0.15 -0.52 118.95 123.19 3h51 s ARG 136 Ca -0.07 0.45 0.01 0.00 0.00 0.00 0.00 55.73 56.12 3h51 s ARG 136 Cb -0.02 -2.41 -0.02 0.00 0.00 0.00 0.00 34.95 32.50 3h51 s ARG 136 CO -0.01 0.00 -0.05 1.52 0.00 0.00 0.00 175.30 176.76 3h51 s TYR 137 N -2.31 0.46 -0.12 -0.53 -0.85 -0.09 -1.38 117.35 112.53 3h51 s TYR 137 Ca 0.51 -0.44 0.01 0.00 -0.52 0.00 0.00 57.07 56.63 3h51 s TYR 137 Cb -0.10 -0.29 0.02 0.00 0.38 0.00 0.00 41.96 41.96 3h51 s TYR 137 CO 0.30 -0.11 -0.13 0.99 -1.52 0.00 0.00 175.55 175.07 3h51 s THR 138 N -1.21 1.41 -0.19 -3.49 2.01 0.05 -0.87 115.64 113.35 3h51 s THR 138 Ca -0.11 -0.56 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 3h51 s THR 138 Cb -0.09 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 3h51 s THR 138 CO -0.00 0.43 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.97 3h51 s PHE 139 N 1.23 3.00 -0.19 4.92 0.08 0.99 -1.07 117.98 126.95 3h51 s PHE 139 Ca -0.02 -0.51 -0.03 0.00 0.12 0.00 0.00 56.93 56.49 3h51 s PHE 139 Cb -0.14 -2.04 -0.02 0.00 -0.57 0.00 0.00 43.02 40.26 3h51 s PHE 139 CO -0.05 -0.24 -0.05 0.08 -0.10 0.00 0.00 175.22 174.87 3h51 s VAL 140 N 0.87 3.51 0.09 -0.44 1.01 0.39 -0.88 120.40 124.96 3h51 s VAL 140 Ca -0.00 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.58 3h51 s VAL 140 Cb -0.14 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3h51 s VAL 140 CO 0.02 0.45 -0.09 -0.31 0.00 0.00 0.00 175.10 175.16 3h51 s TYR 141 N 1.02 2.76 -0.04 5.22 2.02 0.51 -0.36 117.35 128.47 3h51 s TYR 141 Ca 0.00 -0.14 0.02 0.00 -0.37 0.00 0.00 57.07 56.58 3h51 s TYR 141 Cb -0.15 -1.46 0.01 0.00 -0.40 0.00 0.00 41.96 39.97 3h51 s TYR 141 CO 0.00 0.42 -0.09 -2.00 -1.57 0.00 0.00 175.55 172.31 3h51 s GLU 142 N -2.11 1.14 -0.26 -0.62 2.12 -0.12 -1.60 118.70 117.25 3h51 s GLU 142 Ca 0.21 -0.30 -0.23 0.00 0.36 0.00 0.00 54.97 55.01 3h51 s GLU 142 Cb -0.11 -1.03 -0.01 0.00 0.26 0.00 0.00 34.13 33.24 3h51 s GLU 142 CO 0.13 0.06 0.74 0.21 -0.54 0.00 0.00 175.26 175.86 3h51 s LYS 143 N 0.44 4.12 -0.10 4.30 2.20 0.24 -0.69 119.74 130.25 3h51 s LYS 143 Ca -0.08 0.72 0.02 0.00 -0.36 0.00 0.00 55.97 56.28 3h51 s LYS 143 Cb -0.12 -3.66 0.01 0.00 -1.51 0.00 0.00 37.83 32.56 3h51 s LYS 143 CO 0.01 -0.49 -0.17 1.03 -0.36 0.00 0.00 175.35 175.37 3h51 s ARG 144 N 2.71 2.33 -1.52 4.03 0.52 0.11 -4.76 118.95 122.36 3h51 s ARG 144 Ca 0.31 -0.61 -0.08 0.00 -0.52 0.00 0.00 55.73 54.83 3h51 s ARG 144 Cb -0.15 -1.91 0.06 0.00 0.52 0.00 0.00 34.95 33.47 3h51 s ARG 144 CO 0.08 0.01 0.60 -3.47 0.02 0.00 0.00 175.30 172.54 3h51 n ASP 145 N 3.98 -1.75 0.00 0.23 2.03 -1.26 -0.65 116.55 119.13 3h51 n ASP 145 Ca -0.20 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 54.12 3h51 n ASP 145 Cb 0.52 -3.02 0.00 0.00 -0.72 0.00 0.00 41.12 37.90 3h51 n ASP 145 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h51 n GLY 146 N -1.76 1.68 3.42 0.27 0.00 -1.26 -5.01 105.19 102.53 3h51 n GLY 146 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3h51 n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h51 s LYS 147 N -0.08 3.06 -0.13 1.61 3.01 0.18 -5.07 119.74 122.32 3h51 s LYS 147 Ca 0.00 -0.68 -0.28 0.00 -1.01 0.00 0.00 55.97 54.00 3h51 s LYS 147 Cb 0.00 -2.55 -0.01 0.00 -1.01 0.00 0.00 37.83 34.26 3h51 s LYS 147 CO 0.00 0.38 0.94 -1.58 0.51 0.00 0.00 175.35 175.60 3h51 s TRP 148 N -0.08 3.48 0.11 3.18 0.52 -1.26 0.04 118.94 124.93 3h51 s TRP 148 Ca -0.02 1.47 0.09 0.00 0.02 0.00 0.00 56.10 57.66 3h51 s TRP 148 Cb -0.14 -3.12 -0.04 0.00 -1.15 0.00 0.00 33.47 29.02 3h51 s TRP 148 CO 0.04 -0.23 -0.23 -0.51 0.02 0.00 0.00 176.95 176.04 3h51 s LEU 149 N 2.06 2.30 -0.15 2.99 1.43 0.14 -4.93 118.68 122.51 3h51 s LEU 149 Ca 0.45 -0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 52.56 3h51 s LEU 149 Cb -0.18 -0.99 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 3h51 s LEU 149 CO 0.16 0.10 1.00 -0.63 0.23 0.00 0.00 176.35 177.20 3h51 s ILE 150 N -1.12 4.76 -0.15 -0.59 1.01 0.53 -0.95 121.20 124.69 3h51 s ILE 150 Ca 0.09 2.00 0.10 0.00 0.00 0.00 0.00 60.65 62.83 3h51 s ILE 150 Cb -0.10 -4.30 -0.23 0.00 0.01 0.00 0.00 42.46 37.84 3h51 s ILE 150 CO 0.05 -0.05 0.26 0.00 0.00 0.00 0.00 174.94 175.20 3h51 n ILE 151 N 4.81 1.54 -3.80 2.92 0.13 0.51 -0.72 119.36 124.75 3h51 n ILE 151 Ca 0.09 -0.76 -0.13 0.00 -1.10 0.00 0.00 62.75 60.85 3h51 n ILE 151 Cb 0.48 -1.00 -0.14 0.00 -0.84 0.00 0.00 39.64 38.14 3h51 n ILE 151 CO 0.00 0.00 0.00 0.21 2.80 0.00 0.00 176.55 179.56 3h51 s ASN 152 N -6.09 -0.07 -0.14 9.51 2.47 -1.14 -1.33 114.94 118.16 3h51 s ASN 152 Ca -0.14 0.20 -0.02 0.00 0.42 0.00 0.00 52.86 53.31 3h51 s ASN 152 Cb 0.07 0.14 0.05 0.00 -1.45 0.00 0.00 41.25 40.06 3h51 s ASN 152 CO 0.78 -0.09 0.02 -2.28 -3.72 0.00 0.00 177.10 171.81 3h51 s HIS 153 N 0.62 0.87 -0.14 0.43 5.65 -0.17 -0.47 115.29 122.09 3h51 s HIS 153 Ca -0.05 -0.56 0.02 0.00 0.25 0.00 0.00 55.06 54.73 3h51 s HIS 153 Cb -0.07 -0.93 0.01 0.00 -1.18 0.00 0.00 32.58 30.41 3h51 s HIS 153 CO -0.03 -0.49 -0.21 -1.58 -0.65 0.00 0.00 174.74 171.78 3h51 s HIS 154 N 1.91 2.67 -0.04 3.88 2.46 -0.23 -0.10 115.29 125.84 3h51 s HIS 154 Ca 0.02 -1.25 0.00 0.00 0.47 0.00 0.00 55.06 54.31 3h51 s HIS 154 Cb -0.15 -1.81 0.03 0.00 -0.13 0.00 0.00 32.58 30.52 3h51 s HIS 154 CO -0.07 -0.56 -0.01 0.45 -2.47 0.00 0.00 174.74 172.08 3h51 s SER 155 N 0.73 0.75 -0.11 9.88 0.15 0.19 -0.77 113.70 124.52 3h51 s SER 155 Ca -0.09 -0.07 -0.09 0.00 0.70 0.00 0.00 55.95 56.40 3h51 s SER 155 Cb -0.16 -0.32 0.03 0.00 -1.71 0.00 0.00 66.02 63.86 3h51 s SER 155 CO 0.00 -0.10 0.29 -0.94 1.20 0.00 0.00 173.24 173.70 3h51 s SER 156 N 1.10 -0.31 0.00 5.45 1.04 -0.48 -2.61 113.70 117.89 3h51 s SER 156 Ca -0.08 0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.94 3h51 s SER 156 Cb -0.14 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3h51 s SER 156 CO -0.01 -0.12 0.00 0.00 0.98 0.00 0.00 173.24 174.09 3h51 n ALA 157 N 3.27 0.00 0.00 5.32 0.00 -1.26 0.33 120.51 128.17 3h51 n ALA 157 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3h51 n ALA 157 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3h51 n ALA 157 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3h51 n PRO 159 N 0.00 2.30 -3.53 0.00 -0.04 -1.26 -4.68 135.00 127.79 3h51 n PRO 159 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 3h51 n PRO 159 Cb 0.00 -0.81 -0.11 0.00 -0.04 0.00 0.00 33.50 32.54 3h51 n PRO 159 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3h51 s GLU 160 N -1.33 3.07 0.00 0.54 2.02 -1.26 -5.31 118.70 116.44 3h51 s GLU 160 Ca 0.00 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.06 3h51 s GLU 160 Cb 0.00 -3.83 0.00 0.00 0.10 0.00 0.00 34.13 30.40 3h51 s GLU 160 CO 0.00 -0.64 0.00 1.33 0.02 0.00 0.00 175.26 175.97