#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hlq s LEU 33 N 0.00 4.32 0.15 0.00 2.96 -1.26 -1.25 118.68 123.60 2hlq s LEU 33 Ca 0.00 1.47 0.10 0.00 -0.22 0.00 0.00 54.13 55.48 2hlq s LEU 33 Cb 0.00 -3.41 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 2hlq s LEU 33 CO 0.00 -0.26 -0.22 0.00 -1.32 0.00 0.00 176.35 174.55 2hlq s ALA 35 N -1.48 2.55 -0.04 0.00 0.00 -1.26 -0.31 121.76 121.21 2hlq s ALA 35 Ca 0.14 1.20 0.02 0.00 0.00 0.00 0.00 51.96 53.31 2hlq s ALA 35 Cb -0.08 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.52 2hlq s ALA 35 CO 0.07 -1.41 -0.08 0.12 0.00 0.00 0.00 175.76 174.45 2hlq s PHE 36 N -1.42 0.99 -0.19 0.00 5.36 -0.27 -3.15 117.98 119.29 2hlq s PHE 36 Ca 0.78 -0.30 -0.09 0.00 -0.96 0.00 0.00 56.93 56.36 2hlq s PHE 36 Cb -0.36 -0.77 0.07 0.00 -0.34 0.00 0.00 43.02 41.62 2hlq s PHE 36 CO 0.40 -0.18 0.45 0.21 -1.46 0.00 0.00 175.22 174.64 2hlq s LYS 37 N 0.63 0.42 -0.29 10.12 2.20 -0.46 -4.51 119.74 127.84 2hlq s LYS 37 Ca -0.10 0.93 0.04 0.00 -0.36 0.00 0.00 55.97 56.48 2hlq s LYS 37 Cb -0.13 0.12 0.20 0.00 -1.51 0.00 0.00 37.83 36.51 2hlq s LYS 37 CO 0.01 -0.18 0.62 0.34 -0.36 0.00 0.00 175.35 175.78 2hlq s ASP 38 N 1.81 -1.51 0.10 1.43 -1.08 -1.26 -1.06 116.67 115.09 2hlq s ASP 38 Ca -0.07 0.30 0.14 0.00 -0.52 0.00 0.00 52.55 52.40 2hlq s ASP 38 Cb -0.09 2.01 0.62 0.00 -1.46 0.00 0.00 42.92 44.00 2hlq s ASP 38 CO -0.14 -0.28 1.44 -0.81 0.52 0.00 0.00 175.17 175.90 2hlq n PRO 39 N 5.40 0.06 0.00 4.34 -0.04 -1.26 -2.37 135.00 141.13 2hlq n PRO 39 Ca 0.04 0.39 0.10 0.00 -0.04 0.00 0.00 63.50 63.99 2hlq n PRO 39 Cb 0.54 -1.64 0.05 0.00 -0.04 0.00 0.00 33.50 32.41 2hlq n PRO 39 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2hlq n TYR 40 N -1.75 0.00 -0.05 0.54 4.02 -1.26 -4.53 117.16 114.13 2hlq n TYR 40 Ca 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.80 2hlq n TYR 40 Cb 0.13 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.49 2hlq n TYR 40 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 2hlq h GLN 41 N 3.16 0.71 0.00 -0.72 -0.00 -1.86 -3.26 115.11 113.14 2hlq h GLN 41 Ca 0.00 -0.40 -0.01 0.00 -0.00 0.00 0.00 58.65 58.23 2hlq h GLN 41 Cb 0.76 0.03 -0.00 0.00 0.00 0.00 0.00 27.48 28.27 2hlq h GLN 41 CO 0.00 1.02 -0.07 1.96 0.00 0.00 0.00 178.83 181.74 2hlq h GLN 42 N 0.57 0.00 0.34 1.69 1.08 -1.79 -0.54 115.11 116.46 2hlq h GLN 42 Ca 0.03 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2hlq h GLN 42 Cb 1.01 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.42 2hlq h GLN 42 CO 0.10 0.07 -0.37 0.22 -0.95 0.00 0.00 178.83 177.89 2hlq h ASP 43 N 0.00 -1.02 0.18 1.46 3.58 -1.89 -3.22 116.42 115.51 2hlq h ASP 43 Ca -0.00 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2hlq h ASP 43 Cb 0.14 0.35 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2hlq h ASP 43 CO 0.01 -0.51 -1.26 0.18 -2.88 0.00 0.00 179.24 174.78 2hlq n LEU 44 N -5.47 0.58 -0.01 2.28 4.77 -1.20 -5.00 117.00 112.95 2hlq n LEU 44 Ca -0.10 -0.18 -0.00 0.00 -0.03 0.00 0.00 56.01 55.71 2hlq n LEU 44 Cb 0.37 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2hlq n LEU 44 CO 0.27 0.10 -0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2hlq n GLY 45 N 1.39 0.38 3.68 -0.72 0.00 -0.22 -4.99 105.19 104.71 2hlq n GLY 45 Ca 0.01 -0.97 -0.46 0.00 0.00 0.00 0.00 46.02 44.60 2hlq n GLY 45 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hlq n ILE 46 N -3.57 0.27 -1.35 -0.61 5.41 -1.23 -1.57 119.36 116.70 2hlq n ILE 46 Ca -0.00 -0.05 -0.12 0.00 1.00 0.00 0.00 62.75 63.58 2hlq n ILE 46 Cb 0.29 -1.76 -0.05 0.00 -0.71 0.00 0.00 39.64 37.41 2hlq n ILE 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2hlq n GLY 47 N 3.90 1.22 0.35 7.39 0.00 -1.26 -4.90 105.19 111.90 2hlq n GLY 47 Ca 0.19 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.14 2hlq n GLY 47 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2hlq h GLU 48 N 0.05 0.94 0.00 1.61 4.57 -1.67 -0.34 114.58 119.74 2hlq h GLU 48 Ca -0.25 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 2hlq h GLU 48 Cb 1.04 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 2hlq h GLU 48 CO 0.36 0.62 0.00 0.66 -1.18 0.00 0.00 179.01 179.47 2hlq h SER 49 N 0.97 0.00 0.45 1.04 4.64 -1.90 -2.19 113.55 116.56 2hlq h SER 49 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2hlq h SER 49 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2hlq h SER 49 CO -0.26 0.00 -1.07 0.54 -0.87 0.00 0.00 176.83 175.17 2hlq n ARG 50 N -2.75 0.33 -3.89 4.77 1.74 -0.15 -4.96 116.66 111.76 2hlq n ARG 50 Ca -0.01 -0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.71 2hlq n ARG 50 Cb 0.14 -1.61 -0.08 0.00 -1.02 0.00 0.00 32.46 29.90 2hlq n ARG 50 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2hlq s ILE 51 N -3.22 5.18 -0.37 0.55 1.01 -0.82 -1.46 121.20 122.06 2hlq s ILE 51 Ca 0.03 0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.66 2hlq s ILE 51 Cb 0.14 -3.32 0.02 0.00 0.01 0.00 0.00 42.46 39.31 2hlq s ILE 51 CO 0.81 0.50 0.23 -0.55 0.00 0.00 0.00 174.94 175.92 2hlq s SER 52 N -0.03 5.86 0.26 3.58 0.15 -0.26 -4.94 113.70 118.31 2hlq s SER 52 Ca 0.08 -0.84 0.10 0.00 0.70 0.00 0.00 55.95 55.99 2hlq s SER 52 Cb -0.12 -2.08 0.30 0.00 -1.71 0.00 0.00 66.02 62.42 2hlq s SER 52 CO 0.00 -0.36 1.58 0.45 1.20 0.00 0.00 173.24 176.11 2hlq h HIS 53 N 8.49 0.01 0.07 3.44 3.86 -1.96 0.84 115.15 129.90 2hlq h HIS 53 Ca -0.27 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.93 2hlq h HIS 53 Cb 1.12 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 2hlq h HIS 53 CO 0.58 0.66 -0.04 1.49 0.86 0.00 0.00 177.93 181.49 2hlq h GLU 54 N 0.01 -0.10 0.00 2.45 4.81 -1.97 -3.32 114.58 116.46 2hlq h GLU 54 Ca -0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2hlq h GLU 54 Cb 1.16 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2hlq h GLU 54 CO 0.09 0.20 -0.78 0.09 -0.73 0.00 0.00 179.01 177.87 2hlq n ASN 55 N -5.00 0.66 -1.84 1.04 3.02 -1.23 -5.00 115.26 106.91 2hlq n ASN 55 Ca -0.08 -0.01 -0.08 0.00 -0.03 0.00 0.00 54.58 54.38 2hlq n ASN 55 Cb 0.18 0.41 0.03 0.00 -0.61 0.00 0.00 39.78 39.80 2hlq n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hlq n GLY 56 N 1.35 0.22 3.23 7.41 0.00 0.25 -4.97 105.19 112.69 2hlq n GLY 56 Ca 0.03 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 2hlq n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hlq s THR 57 N -3.13 1.14 -0.03 2.61 -4.23 -1.00 -1.11 115.64 109.88 2hlq s THR 57 Ca 0.08 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.69 2hlq s THR 57 Cb -0.04 -1.69 0.02 0.00 1.34 0.00 0.00 72.50 72.14 2hlq s THR 57 CO 0.28 -0.66 -0.02 -0.51 -0.54 0.00 0.00 174.62 173.17 2hlq s ILE 58 N -2.95 0.34 -0.56 2.99 2.07 0.57 -1.10 121.20 122.56 2hlq s ILE 58 Ca 0.13 -0.02 -0.24 0.00 -1.41 0.00 0.00 60.65 59.11 2hlq s ILE 58 Cb 0.00 -0.39 0.05 0.00 0.13 0.00 0.00 42.46 42.24 2hlq s ILE 58 CO 0.01 0.17 0.92 -0.22 -1.91 0.00 0.00 174.94 173.91 2hlq s LEU 59 N 0.88 4.19 0.68 8.50 2.96 -0.53 -0.85 118.68 134.51 2hlq s LEU 59 Ca -0.10 -0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 53.29 2hlq s LEU 59 Cb -0.13 -2.75 0.06 0.00 0.50 0.00 0.00 46.19 43.86 2hlq s LEU 59 CO -0.01 -1.23 0.98 0.00 -1.32 0.00 0.00 176.35 174.77 2hlq s SER 61 N -4.50 4.53 0.28 0.00 0.01 -1.26 -3.82 113.70 108.93 2hlq s SER 61 Ca 0.60 1.97 -0.30 0.00 1.31 0.00 0.00 55.95 59.53 2hlq s SER 61 Cb -0.11 -2.54 -0.12 0.00 0.21 0.00 0.00 66.02 63.46 2hlq s SER 61 CO 0.44 -2.02 1.57 0.29 0.41 0.00 0.00 173.24 173.92 2hlq n LYS 62 N -3.12 2.59 -0.20 12.44 4.76 -1.26 -1.19 118.16 132.18 2hlq n LYS 62 Ca 0.10 0.92 0.00 0.00 -2.87 0.00 0.00 58.31 56.46 2hlq n LYS 62 Cb 0.52 -2.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.03 2hlq n LYS 62 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2hlq n GLY 63 N 2.23 1.26 3.83 0.72 0.00 -1.26 -4.84 105.19 107.12 2hlq n GLY 63 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 2hlq n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hlq s SER 64 N -3.03 6.63 0.63 1.61 0.01 -0.33 -2.43 113.70 116.79 2hlq s SER 64 Ca 0.00 0.75 0.07 0.00 1.31 0.00 0.00 55.95 58.08 2hlq s SER 64 Cb 0.00 -2.19 0.11 0.00 0.21 0.00 0.00 66.02 64.15 2hlq s SER 64 CO 0.00 0.30 0.87 0.42 0.41 0.00 0.00 173.24 175.25 2hlq s THR 65 N -0.77 2.03 0.28 1.44 -4.23 0.50 -1.96 115.64 112.93 2hlq s THR 65 Ca 0.20 -0.91 0.12 0.00 -1.18 0.00 0.00 61.69 59.92 2hlq s THR 65 Cb -0.15 -2.12 -0.05 0.00 1.34 0.00 0.00 72.50 71.52 2hlq s THR 65 CO 0.09 0.00 -0.17 0.00 -0.54 0.00 0.00 174.62 174.00 2hlq s TYR 67 N -2.48 0.66 0.02 0.00 -0.85 -0.10 -1.10 117.35 113.49 2hlq s TYR 67 Ca 0.30 -1.01 0.01 0.00 -0.52 0.00 0.00 57.07 55.86 2hlq s TYR 67 Cb -0.05 -0.44 -0.02 0.00 0.38 0.00 0.00 41.96 41.84 2hlq s TYR 67 CO 0.16 -0.29 -0.05 0.20 -1.52 0.00 0.00 175.55 174.04 2hlq s GLY 68 N -2.95 0.35 -0.07 5.49 0.00 -0.30 -2.05 107.32 107.78 2hlq s GLY 68 Ca 0.09 -0.53 -0.00 0.00 0.00 0.00 0.00 44.72 44.27 2hlq s GLY 68 CO -0.08 -0.56 -0.04 -2.27 0.00 0.00 0.00 173.10 170.15 2hlq s LEU 69 N -1.06 1.03 0.21 0.66 2.96 0.58 -1.77 118.68 121.29 2hlq s LEU 69 Ca -0.07 -0.16 0.10 0.00 -0.22 0.00 0.00 54.13 53.78 2hlq s LEU 69 Cb -0.07 -0.55 -0.05 0.00 0.50 0.00 0.00 46.19 46.02 2hlq s LEU 69 CO -0.00 -0.12 -0.19 0.26 -1.32 0.00 0.00 176.35 174.99 2hlq s TRP 70 N 1.48 2.01 -0.03 5.38 0.51 0.04 -0.61 118.94 127.72 2hlq s TRP 70 Ca -0.02 -0.44 0.05 0.00 -2.12 0.00 0.00 56.10 53.58 2hlq s TRP 70 Cb -0.13 -0.94 -0.01 0.00 -0.81 0.00 0.00 33.47 31.58 2hlq s TRP 70 CO -0.03 0.48 -0.18 -1.21 -0.51 0.00 0.00 176.95 175.49 2hlq s GLU 71 N -3.20 1.68 -0.03 4.98 2.02 0.05 -0.55 118.70 123.64 2hlq s GLU 71 Ca 0.22 -0.65 0.06 0.00 0.02 0.00 0.00 54.97 54.62 2hlq s GLU 71 Cb -0.05 -1.54 -0.01 0.00 0.10 0.00 0.00 34.13 32.64 2hlq s GLU 71 CO 0.10 0.33 -0.20 0.21 0.02 0.00 0.00 175.26 175.71 2hlq s LYS 72 N -0.22 1.85 -0.24 1.61 2.20 0.97 -0.58 119.74 125.34 2hlq s LYS 72 Ca 0.02 -0.73 -0.03 0.00 -0.36 0.00 0.00 55.97 54.87 2hlq s LYS 72 Cb -0.09 -1.70 0.13 0.00 -1.51 0.00 0.00 37.83 34.66 2hlq s LYS 72 CO 0.01 0.38 0.37 -1.12 -0.36 0.00 0.00 175.35 174.63 2hlq s SER 73 N -0.29 0.29 -0.94 1.43 0.01 -0.13 -4.49 113.70 109.58 2hlq s SER 73 Ca 0.03 0.21 -0.04 0.00 1.31 0.00 0.00 55.95 57.46 2hlq s SER 73 Cb -0.10 1.09 0.00 0.00 0.21 0.00 0.00 66.02 67.22 2hlq s SER 73 CO 0.01 -0.30 0.81 0.29 0.41 0.00 0.00 173.24 174.46 2hlq n LYS 74 N 5.36 -5.43 -3.28 12.44 5.02 -1.26 0.60 118.16 131.61 2hlq n LYS 74 Ca -0.04 0.61 -0.38 0.00 -2.02 0.00 0.00 58.31 56.48 2hlq n LYS 74 Cb 0.50 -4.95 -0.03 0.00 -0.02 0.00 0.00 35.03 30.53 2hlq n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hlq n GLY 75 N -1.42 4.77 3.61 0.72 0.00 -1.26 -5.08 105.19 106.54 2hlq n GLY 75 Ca -0.07 -2.67 -0.43 0.00 0.00 0.00 0.00 46.02 42.85 2hlq n GLY 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hlq s ASP 76 N -1.33 6.70 -0.30 1.61 2.15 0.20 -5.03 116.67 120.67 2hlq s ASP 76 Ca 0.33 0.59 -0.12 0.00 0.43 0.00 0.00 52.55 53.77 2hlq s ASP 76 Cb 0.04 -2.51 -0.04 0.00 -0.30 0.00 0.00 42.92 40.11 2hlq s ASP 76 CO 0.01 -1.02 0.22 -0.63 -0.17 0.00 0.00 175.17 173.58 2hlq s ILE 77 N 3.87 5.29 -0.13 4.11 1.01 -1.26 -0.96 121.20 133.14 2hlq s ILE 77 Ca 0.43 0.07 0.00 0.00 0.00 0.00 0.00 60.65 61.15 2hlq s ILE 77 Cb -0.10 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.75 2hlq s ILE 77 CO 0.23 0.15 -0.14 0.20 0.00 0.00 0.00 174.94 175.39 2hlq s ASN 78 N 1.74 3.92 -0.04 3.58 -0.87 0.25 -4.98 114.94 118.56 2hlq s ASN 78 Ca 0.07 -0.35 -0.30 0.00 -1.57 0.00 0.00 52.86 50.71 2hlq s ASN 78 Cb -0.16 -1.59 -0.03 0.00 -0.02 0.00 0.00 41.25 39.44 2hlq s ASN 78 CO 0.11 0.16 1.11 -0.22 -2.57 0.00 0.00 177.10 175.69 2hlq s LEU 79 N 0.39 4.30 -0.21 0.60 2.96 -1.26 -0.77 118.68 124.70 2hlq s LEU 79 Ca -0.11 1.75 -0.15 0.00 -0.22 0.00 0.00 54.13 55.40 2hlq s LEU 79 Cb -0.16 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.89 2hlq s LEU 79 CO 0.05 -0.48 -0.33 0.52 -1.32 0.00 0.00 176.35 174.80 2hlq n VAL 80 N 4.36 1.46 -3.70 1.68 0.31 0.22 -4.95 118.33 117.73 2hlq n VAL 80 Ca 0.09 -0.07 -0.12 0.00 -0.01 0.00 0.00 64.34 64.23 2hlq n VAL 80 Cb 0.48 -2.11 -0.07 0.00 -0.91 0.00 0.00 33.84 31.23 2hlq n VAL 80 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2hlq s LYS 81 N -2.69 0.89 -0.06 5.55 1.02 -0.98 -4.69 119.74 118.78 2hlq s LYS 81 Ca -0.31 -0.45 -0.08 0.00 0.02 0.00 0.00 55.97 55.15 2hlq s LYS 81 Cb 0.08 0.39 0.02 0.00 -0.52 0.00 0.00 37.83 37.80 2hlq s LYS 81 CO 0.43 -0.30 0.20 -0.65 -0.92 0.00 0.00 175.35 174.11 2hlq s GLN 82 N -2.63 0.33 0.00 1.68 -0.21 -0.22 -0.31 119.66 118.30 2hlq s GLN 82 Ca -0.04 0.10 0.00 0.00 0.02 0.00 0.00 55.36 55.44 2hlq s GLN 82 Cb -0.01 0.15 0.00 0.00 1.00 0.00 0.00 33.01 34.16 2hlq s GLN 82 CO -0.04 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.48 2hlq n GLY 83 N 2.49 -0.70 3.75 3.09 0.00 -0.87 -1.36 105.19 111.59 2hlq n GLY 83 Ca -0.16 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 2hlq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hlq n TRP 85 N 1.75 0.00 -4.12 0.00 -0.00 0.04 -4.75 117.44 110.36 2hlq n TRP 85 Ca -0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.50 57.24 2hlq n TRP 85 Cb 0.48 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.73 2hlq n TRP 85 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 2hlq s SER 86 N 0.25 5.39 0.24 5.87 1.04 -1.26 -4.86 113.70 120.37 2hlq s SER 86 Ca 0.00 -0.24 0.09 0.00 0.48 0.00 0.00 55.95 56.29 2hlq s SER 86 Cb 0.00 -1.35 -0.04 0.00 0.10 0.00 0.00 66.02 64.73 2hlq s SER 86 CO 0.00 0.02 -0.04 -1.00 0.98 0.00 0.00 173.24 173.20 2hlq s HIS 87 N -1.93 2.65 0.06 5.02 3.76 -1.26 -0.37 115.29 123.21 2hlq s HIS 87 Ca 0.31 -0.23 -0.37 0.00 -0.15 0.00 0.00 55.06 54.63 2hlq s HIS 87 Cb -0.09 -1.21 -0.17 0.00 1.11 0.00 0.00 32.58 32.22 2hlq s HIS 87 CO 0.23 0.60 1.36 -0.89 -0.85 0.00 0.00 174.74 175.18 2hlq n ILE 88 N -0.59 0.02 0.00 0.60 5.41 -1.02 -1.41 119.36 122.37 2hlq n ILE 88 Ca -0.08 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.67 2hlq n ILE 88 Cb 0.58 -0.81 0.00 0.00 -0.71 0.00 0.00 39.64 38.70 2hlq n ILE 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2hlq n GLY 89 N 2.59 1.67 3.73 7.39 0.00 -1.26 -5.05 105.19 114.26 2hlq n GLY 89 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 2hlq n GLY 89 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hlq s ASP 90 N -2.42 4.38 0.31 1.61 1.01 -0.50 -4.91 116.67 116.14 2hlq s ASP 90 Ca 0.00 2.25 0.07 0.00 0.71 0.00 0.00 52.55 55.59 2hlq s ASP 90 Cb 0.00 -2.58 0.82 0.00 1.01 0.00 0.00 42.92 42.18 2hlq s ASP 90 CO 0.00 -2.13 1.73 -0.65 0.21 0.00 0.00 175.17 174.32 2hlq h PRO 91 N -0.29 0.54 -3.37 8.23 0.11 -1.97 -3.31 132.00 131.95 2hlq h PRO 91 Ca -0.47 -0.03 -0.61 0.00 0.11 0.00 0.00 66.00 64.99 2hlq h PRO 91 Cb 1.28 -0.12 -0.40 0.00 0.11 0.00 0.00 31.00 31.87 2hlq h PRO 91 CO 0.50 0.36 -0.73 -0.65 -0.21 0.00 0.00 178.00 177.28 2hlq s GLN 92 N -5.81 1.25 0.48 1.05 -0.21 -1.26 -5.11 119.66 110.04 2hlq s GLN 92 Ca -0.11 -1.83 -0.20 0.00 0.02 0.00 0.00 55.36 53.24 2hlq s GLN 92 Cb 0.26 -2.47 -0.09 0.00 1.00 0.00 0.00 33.01 31.72 2hlq s GLN 92 CO 0.79 -1.09 1.01 -1.21 -2.12 0.00 0.00 175.29 172.68 2hlq s GLU 93 N 0.65 3.91 -0.22 2.91 2.02 -1.25 -4.84 118.70 121.89 2hlq s GLU 93 Ca 0.15 1.26 -0.07 0.00 0.02 0.00 0.00 54.97 56.33 2hlq s GLU 93 Cb -0.22 -2.12 -0.03 0.00 0.10 0.00 0.00 34.13 31.85 2hlq s GLU 93 CO -0.07 -0.32 0.06 0.00 0.02 0.00 0.00 175.26 174.95 2hlq n HIS 95 N 4.33 1.81 -3.73 0.00 8.25 -1.26 -4.63 115.22 119.99 2hlq n HIS 95 Ca -0.16 -2.02 -0.35 0.00 -0.26 0.00 0.00 57.72 54.92 2hlq n HIS 95 Cb 0.52 -0.28 -0.08 0.00 1.12 0.00 0.00 29.99 31.27 2hlq n HIS 95 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2hlq s TYR 96 N -3.42 3.43 0.15 4.41 1.51 -1.26 -4.99 117.35 117.18 2hlq s TYR 96 Ca 0.40 0.36 0.01 0.00 -1.01 0.00 0.00 57.07 56.83 2hlq s TYR 96 Cb 0.37 -2.15 -0.06 0.00 -0.11 0.00 0.00 41.96 40.01 2hlq s TYR 96 CO -0.01 0.32 1.34 0.93 -1.11 0.00 0.00 175.55 177.02 2hlq h GLU 97 N 6.54 0.24 -6.19 -0.62 3.07 -1.94 0.26 114.58 115.94 2hlq h GLU 97 Ca -0.42 -0.28 -0.55 0.00 -0.50 0.00 0.00 59.36 57.61 2hlq h GLU 97 Cb 1.16 0.08 -0.08 0.00 -0.84 0.00 0.00 28.75 29.07 2hlq h GLU 97 CO 0.75 1.01 -0.61 -1.21 -1.40 0.00 0.00 179.01 177.54 2hlq s GLU 98 N -3.15 2.41 -0.76 2.33 0.41 -1.26 -3.61 118.70 115.07 2hlq s GLU 98 Ca -0.03 -1.37 -0.22 0.00 -0.41 0.00 0.00 54.97 52.94 2hlq s GLU 98 Cb 0.10 -2.23 0.09 0.00 -1.78 0.00 0.00 34.13 30.30 2hlq s GLU 98 CO 0.84 0.35 1.05 0.00 -0.49 0.00 0.00 175.26 177.01 2hlq s VAL 100 N 3.74 3.19 -0.22 0.00 1.01 -1.26 -1.50 120.40 125.36 2hlq s VAL 100 Ca 0.27 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.51 2hlq s VAL 100 Cb -0.12 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2hlq s VAL 100 CO 0.03 0.56 0.12 -0.69 0.00 0.00 0.00 175.10 175.11 2hlq s VAL 101 N -0.21 5.08 0.43 2.92 1.01 0.15 -4.64 120.40 125.14 2hlq s VAL 101 Ca 0.01 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.14 2hlq s VAL 101 Cb -0.13 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 2hlq s VAL 101 CO 0.03 0.39 0.28 0.42 0.00 0.00 0.00 175.10 176.22 2hlq s THR 102 N 0.80 2.36 -1.31 3.92 -4.23 -1.26 -0.64 115.64 115.28 2hlq s THR 102 Ca 0.06 -1.54 -0.18 0.00 -1.18 0.00 0.00 61.69 58.85 2hlq s THR 102 Cb -0.13 -2.90 0.04 0.00 1.34 0.00 0.00 72.50 70.85 2hlq s THR 102 CO 0.02 0.00 1.87 0.41 -0.54 0.00 0.00 174.62 176.38 2hlq n THR 103 N -1.41 3.59 -3.89 3.99 -1.04 -1.26 -4.81 114.28 109.45 2hlq n THR 103 Ca 0.00 -3.60 -0.09 0.00 -2.04 0.00 0.00 64.05 58.32 2hlq n THR 103 Cb 0.63 -2.39 -0.06 0.00 -1.82 0.00 0.00 70.33 66.70 2hlq n THR 103 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2hlq s THR 104 N 4.66 0.04 0.61 12.58 -1.32 -1.26 -4.89 115.64 126.06 2hlq s THR 104 Ca 0.54 -1.18 -0.19 0.00 -1.21 0.00 0.00 61.69 59.64 2hlq s THR 104 Cb 0.06 -1.80 -0.03 0.00 -1.51 0.00 0.00 72.50 69.22 2hlq s THR 104 CO 0.05 -0.20 1.26 -2.65 -2.21 0.00 0.00 174.62 170.88 2hlq n PRO 105 N -0.28 1.24 0.22 7.08 -0.02 -1.26 -2.13 135.00 139.85 2hlq n PRO 105 Ca -0.07 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.00 2hlq n PRO 105 Cb 0.63 -2.49 0.27 0.00 -0.02 0.00 0.00 33.50 31.88 2hlq n PRO 105 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2hlq h PRO 106 N 0.77 0.00 -0.90 0.52 0.13 -1.92 -3.46 132.00 127.13 2hlq h PRO 106 Ca -0.51 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2hlq h PRO 106 Cb 1.33 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 2hlq h PRO 106 CO 0.54 0.06 0.52 0.77 -0.23 0.00 0.00 178.00 179.66 2hlq h SER 107 N 0.00 1.10 0.86 1.44 0.02 -1.57 -0.51 113.55 114.89 2hlq h SER 107 Ca -0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2hlq h SER 107 Cb 0.93 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2hlq h SER 107 CO 0.01 0.86 0.00 0.16 -1.14 0.00 0.00 176.83 176.71 2hlq h ILE 108 N 1.25 0.00 0.00 3.27 3.07 -1.81 -3.08 117.51 120.21 2hlq h ILE 108 Ca 0.32 -0.30 -0.22 0.00 1.55 0.00 0.00 64.86 66.22 2hlq h ILE 108 Cb -0.02 1.09 -0.03 0.00 -0.27 0.00 0.00 36.82 37.58 2hlq h ILE 108 CO -0.06 0.00 -1.33 1.67 -1.05 0.00 0.00 178.15 177.38 2hlq n GLN 109 N -2.34 0.55 -3.91 0.16 -0.06 -0.57 -4.90 117.38 106.31 2hlq n GLN 109 Ca 0.02 0.50 -0.29 0.00 -2.00 0.00 0.00 57.00 55.23 2hlq n GLN 109 Cb 0.26 -1.68 -0.16 0.00 -4.06 0.00 0.00 30.24 24.60 2hlq n GLN 109 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 2hlq s ASN 110 N -6.71 2.97 0.00 1.69 3.84 -0.31 -5.02 114.94 111.41 2hlq s ASN 110 Ca -0.28 -0.72 0.12 0.00 0.21 0.00 0.00 52.86 52.19 2hlq s ASN 110 Cb 0.07 -0.98 0.67 0.00 -0.55 0.00 0.00 41.25 40.46 2hlq s ASN 110 CO 0.50 -0.18 1.20 0.61 -2.79 0.00 0.00 177.10 176.44 2hlq n GLY 111 N 4.83 -0.50 0.08 1.21 0.00 -1.17 -2.79 105.19 106.86 2hlq n GLY 111 Ca -0.12 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 2hlq n GLY 111 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2hlq h THR 112 N 0.00 1.57 -3.83 2.61 1.35 -1.86 -3.45 112.91 109.30 2hlq h THR 112 Ca 0.00 -3.21 -0.48 0.00 -0.55 0.00 0.00 66.41 62.17 2hlq h THR 112 Cb 0.04 2.89 -0.02 0.00 -1.73 0.00 0.00 68.15 69.33 2hlq h THR 112 CO 0.00 0.92 0.25 -0.31 -0.25 0.00 0.00 175.52 176.13 2hlq s TYR 113 N -2.68 3.54 -0.23 4.73 1.51 -1.12 -0.02 117.35 123.08 2hlq s TYR 113 Ca -0.02 1.55 -0.01 0.00 -1.01 0.00 0.00 57.07 57.58 2hlq s TYR 113 Cb 0.08 -2.77 0.07 0.00 -0.11 0.00 0.00 41.96 39.23 2hlq s TYR 113 CO 0.85 0.14 0.01 1.03 -1.11 0.00 0.00 175.55 176.48 2hlq s ARG 114 N -2.46 1.03 -0.07 -0.62 1.81 0.28 -4.31 118.95 114.61 2hlq s ARG 114 Ca 0.52 -0.76 0.02 0.00 -1.72 0.00 0.00 55.73 53.79 2hlq s ARG 114 Cb -0.14 -2.29 -0.02 0.00 -0.45 0.00 0.00 34.95 32.05 2hlq s ARG 114 CO 0.19 -0.69 -0.14 0.12 -0.68 0.00 0.00 175.30 174.11 2hlq s PHE 115 N 1.63 2.74 0.04 -0.53 2.19 -1.26 -0.78 117.98 122.01 2hlq s PHE 115 Ca -0.01 -0.30 -0.05 0.00 0.33 0.00 0.00 56.93 56.91 2hlq s PHE 115 Cb -0.18 -1.69 -0.01 0.00 -1.31 0.00 0.00 43.02 39.82 2hlq s PHE 115 CO -0.10 0.07 0.08 0.00 1.83 0.00 0.00 175.22 177.10 2hlq n SER 119 N 0.17 0.85 -4.80 0.00 3.41 0.93 -0.48 113.62 113.70 2hlq n SER 119 Ca -0.18 -0.84 -0.22 0.00 -0.26 0.00 0.00 58.87 57.38 2hlq n SER 119 Cb 0.62 1.09 -0.05 0.00 -0.26 0.00 0.00 64.21 65.61 2hlq n SER 119 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2hlq s THR 120 N -2.80 3.86 0.23 6.66 -4.23 -1.24 -4.81 115.64 113.31 2hlq s THR 120 Ca 0.05 -1.50 -0.31 0.00 -1.18 0.00 0.00 61.69 58.75 2hlq s THR 120 Cb 0.14 -3.21 -0.12 0.00 1.34 0.00 0.00 72.50 70.65 2hlq s THR 120 CO 0.76 -0.28 1.68 0.47 -0.54 0.00 0.00 174.62 176.71 2hlq n ASP 121 N -1.19 3.91 -1.44 3.99 8.00 -1.26 -2.13 116.55 126.42 2hlq n ASP 121 Ca -0.05 1.09 -0.19 0.00 0.71 0.00 0.00 54.79 56.35 2hlq n ASP 121 Cb 0.59 -1.57 -0.08 0.00 -0.02 0.00 0.00 41.12 40.04 2hlq n ASP 121 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2hlq n LEU 122 N 3.36 -1.30 0.26 0.64 4.77 0.83 -4.84 117.00 120.71 2hlq n LEU 122 Ca 0.14 0.47 0.13 0.00 -0.03 0.00 0.00 56.01 56.71 2hlq n LEU 122 Cb 0.35 -2.77 0.68 0.00 -2.33 0.00 0.00 43.42 39.35 2hlq n LEU 122 CO 0.64 -1.05 0.94 0.00 -1.33 0.00 0.00 177.39 176.58 2hlq n ASN 124 N -3.49 3.58 0.18 0.00 6.94 -1.26 -3.81 115.26 117.41 2hlq n ASN 124 Ca -0.01 -2.36 0.05 0.00 -0.02 0.00 0.00 54.58 52.23 2hlq n ASN 124 Cb 0.29 -0.50 0.33 0.00 -2.36 0.00 0.00 39.78 37.53 2hlq n ASN 124 CO 0.00 0.00 0.00 -0.37 -1.03 0.00 0.00 177.26 175.86 2hlq h VAL 125 N 2.83 0.98 -3.96 3.53 -1.51 -1.92 -3.43 116.25 112.77 2hlq h VAL 125 Ca 0.00 -1.55 -0.12 0.00 -1.23 0.00 0.00 66.70 63.80 2hlq h VAL 125 Cb 1.16 1.92 -0.12 0.00 -2.13 0.00 0.00 31.29 32.12 2hlq h VAL 125 CO 0.19 0.39 -0.31 0.20 -1.23 0.00 0.00 177.57 176.82 2hlq s ASN 126 N -6.52 0.01 0.19 4.19 0.01 -1.26 -5.12 114.94 106.44 2hlq s ASN 126 Ca -0.00 -1.01 0.10 0.00 -0.71 0.00 0.00 52.86 51.23 2hlq s ASN 126 Cb 0.12 0.48 -0.04 0.00 0.41 0.00 0.00 41.25 42.21 2hlq s ASN 126 CO 0.70 -0.98 -0.13 0.72 -1.51 0.00 0.00 177.10 175.90 2hlq s PHE 127 N -4.03 2.55 -0.13 2.20 -0.12 -1.26 -4.61 117.98 112.57 2hlq s PHE 127 Ca 0.24 -0.26 0.01 0.00 -0.05 0.00 0.00 56.93 56.87 2hlq s PHE 127 Cb 0.03 -1.24 0.02 0.00 -0.63 0.00 0.00 43.02 41.19 2hlq s PHE 127 CO 0.06 0.52 -0.14 0.99 -0.05 0.00 0.00 175.22 176.60 2hlq s THR 128 N -1.74 1.53 0.05 -4.49 2.01 -0.56 -5.01 115.64 107.43 2hlq s THR 128 Ca 0.24 -0.62 -0.31 0.00 0.31 0.00 0.00 61.69 61.32 2hlq s THR 128 Cb -0.08 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 2hlq s THR 128 CO 0.14 0.45 1.19 -1.61 -0.69 0.00 0.00 174.62 174.10 2hlq s GLU 129 N 1.33 4.43 -0.52 4.92 2.02 -1.26 -0.68 118.70 128.95 2hlq s GLU 129 Ca 0.01 1.75 0.07 0.00 0.02 0.00 0.00 54.97 56.82 2hlq s GLU 129 Cb -0.13 -3.36 0.31 0.00 0.10 0.00 0.00 34.13 31.04 2hlq s GLU 129 CO -0.08 -0.26 0.80 -1.71 0.02 0.00 0.00 175.26 174.04 2hlq n ASN 130 N 3.99 2.89 -0.54 -0.19 5.15 0.19 -4.90 115.26 121.86 2hlq n ASN 130 Ca 0.09 -3.34 0.14 0.00 -0.60 0.00 0.00 54.58 50.86 2hlq n ASN 130 Cb 0.47 -0.61 0.48 0.00 -0.53 0.00 0.00 39.78 39.58 2hlq n ASN 130 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15