#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hlu n GLY 2 N 0.00 0.09 0.30 0.00 0.00 -1.26 -3.29 105.19 101.03 1hlu n GLY 2 Ca 0.00 -0.93 0.20 0.00 0.00 0.00 0.00 46.02 45.28 1hlu n GLY 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1hlu h TRP 3 N 0.00 0.00 0.00 1.61 4.06 -2.00 -1.28 115.95 118.34 1hlu h TRP 3 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1hlu h TRP 3 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1hlu h TRP 3 CO 0.00 0.00 0.00 -0.91 -3.56 0.00 0.00 178.44 173.97 1hlu h ASN 4 N 0.00 0.00 -0.16 -3.49 2.35 -1.85 -1.50 115.58 110.93 1hlu h ASN 4 Ca 0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 1hlu h ASN 4 Cb 0.26 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.63 1hlu h ASN 4 CO 0.00 0.00 -0.63 0.00 -1.65 0.00 0.00 177.43 175.15 1hlu h ALA 5 N 2.04 0.29 -0.40 -0.83 0.00 -1.36 -2.32 119.26 116.68 1hlu h ALA 5 Ca 0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 1hlu h ALA 5 Cb 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1hlu h ALA 5 CO 0.00 0.56 -0.20 1.88 0.00 0.00 0.00 179.25 181.49 1hlu h TYR 6 N 0.40 0.87 0.91 0.00 0.05 -1.45 -2.10 116.97 115.65 1hlu h TYR 6 Ca -0.03 -0.19 -0.04 0.00 0.05 0.00 0.00 58.73 58.51 1hlu h TYR 6 Cb 1.26 -0.21 0.01 0.00 1.01 0.00 0.00 36.73 38.79 1hlu h TYR 6 CO 0.09 0.90 -0.44 0.82 -1.05 0.00 0.00 178.16 178.49 1hlu h ILE 7 N 0.68 0.04 -0.96 -2.88 1.08 -1.45 0.89 117.51 114.90 1hlu h ILE 7 Ca 0.10 -0.08 0.25 0.00 -0.39 0.00 0.00 64.86 64.74 1hlu h ILE 7 Cb 0.70 0.04 -0.13 0.00 -3.07 0.00 0.00 36.82 34.36 1hlu h ILE 7 CO 0.05 0.00 0.49 0.44 -0.69 0.00 0.00 178.15 178.45 1hlu h ASP 8 N -1.30 0.48 -0.33 1.72 3.32 -1.40 0.98 116.42 119.89 1hlu h ASP 8 Ca -0.12 0.16 0.01 0.00 0.02 0.00 0.00 57.03 57.09 1hlu h ASP 8 Cb 0.94 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 1hlu h ASP 8 CO 0.21 -0.00 0.20 -1.13 -1.72 0.00 0.00 179.24 176.79 1hlu h ASN 9 N 0.44 0.33 0.14 6.45 -0.73 -0.98 -1.29 115.58 119.94 1hlu h ASN 9 Ca 0.63 -0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.74 1hlu h ASN 9 Cb 1.25 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.76 1hlu h ASN 9 CO -0.53 0.24 -0.21 -0.07 -0.37 0.00 0.00 177.43 176.48 1hlu h LEU 10 N 0.41 0.13 0.00 0.34 3.38 0.35 -3.12 115.31 116.79 1hlu h LEU 10 Ca 0.13 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1hlu h LEU 10 Cb -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1hlu h LEU 10 CO -0.05 0.36 -1.22 0.23 0.09 0.00 0.00 178.44 177.85 1hlu n MET 11 N -4.23 0.54 0.24 1.13 2.81 -0.54 -4.37 117.12 112.69 1hlu n MET 11 Ca -0.01 0.02 0.06 0.00 -1.81 0.00 0.00 57.70 55.95 1hlu n MET 11 Cb 0.31 -1.70 0.31 0.00 -0.71 0.00 0.00 33.22 31.43 1hlu n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1hlu h ALA 12 N 2.14 1.46 -0.19 3.04 0.00 -1.17 -2.20 119.26 122.34 1hlu h ALA 12 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1hlu h ALA 12 Cb 0.93 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1hlu h ALA 12 CO 0.00 -0.46 -0.60 0.22 0.00 0.00 0.00 179.25 178.41 1hlu h ASP 13 N 0.00 0.72 0.00 0.00 1.82 -1.79 -3.47 116.42 113.70 1hlu h ASP 13 Ca 0.00 -0.41 0.00 0.00 -0.39 0.00 0.00 57.03 56.23 1hlu h ASP 13 Cb 1.11 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.91 1hlu h ASP 13 CO 0.00 1.16 0.00 0.61 -1.61 0.00 0.00 179.24 179.40 1hlu n GLY 14 N 0.38 1.06 0.13 -0.78 0.00 -0.83 -4.86 105.19 100.30 1hlu n GLY 14 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 1hlu n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hlu n THR 15 N -2.00 1.74 -2.51 2.61 -2.24 -1.26 -4.91 114.28 105.71 1hlu n THR 15 Ca 0.00 -0.66 -0.26 0.00 -2.27 0.00 0.00 64.05 60.85 1hlu n THR 15 Cb 0.00 -1.64 0.02 0.00 -2.10 0.00 0.00 70.33 66.61 1hlu n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hlu n GLN 17 N -2.44 0.01 -3.64 0.00 10.64 0.11 -4.64 117.38 117.42 1hlu n GLN 17 Ca 0.03 -0.28 -0.08 0.00 -1.83 0.00 0.00 57.00 54.84 1hlu n GLN 17 Cb 0.57 -0.62 -0.07 0.00 -0.86 0.00 0.00 30.24 29.26 1hlu n GLN 17 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1hlu s ASP 18 N -0.06 -0.40 0.32 2.61 2.15 -1.20 -4.99 116.67 115.10 1hlu s ASP 18 Ca 0.00 0.76 0.01 0.00 0.43 0.00 0.00 52.55 53.75 1hlu s ASP 18 Cb 0.00 0.77 -0.01 0.00 -0.30 0.00 0.00 42.92 43.37 1hlu s ASP 18 CO 0.00 -0.14 0.37 0.00 -0.17 0.00 0.00 175.17 175.23 1hlu s ALA 19 N 0.17 1.17 0.00 3.66 0.00 -1.26 -1.00 121.76 124.49 1hlu s ALA 19 Ca 0.04 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.28 1hlu s ALA 19 Cb -0.05 1.30 0.00 0.00 0.00 0.00 0.00 23.12 24.37 1hlu s ALA 19 CO -0.07 -0.73 0.00 0.00 0.00 0.00 0.00 175.76 174.96 1hlu n ALA 20 N -0.54 0.00 -3.95 0.00 0.00 -1.15 -3.37 120.51 111.49 1hlu n ALA 20 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.14 1hlu n ALA 20 Cb 0.62 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.91 1hlu n ALA 20 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1hlu s ILE 21 N -1.77 2.09 -0.07 0.00 -1.09 0.03 -2.42 121.20 117.98 1hlu s ILE 21 Ca 0.00 -0.94 0.04 0.00 -2.23 0.00 0.00 60.65 57.51 1hlu s ILE 21 Cb 0.00 -1.86 0.00 0.00 -1.58 0.00 0.00 42.46 39.02 1hlu s ILE 21 CO 0.00 0.54 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.39 1hlu s VAL 22 N 1.12 1.51 -0.14 2.92 1.01 -0.39 0.66 120.40 127.10 1hlu s VAL 22 Ca 0.01 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.07 1hlu s VAL 22 Cb -0.14 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1hlu s VAL 22 CO -0.09 0.44 0.56 -0.83 0.00 0.00 0.00 175.10 175.18 1hlu s GLY 23 N 0.35 2.33 -0.00 4.51 0.00 -0.67 0.33 107.32 114.16 1hlu s GLY 23 Ca -0.12 -0.17 0.18 0.00 0.00 0.00 0.00 44.72 44.61 1hlu s GLY 23 CO 0.05 1.01 0.71 1.58 0.00 0.00 0.00 173.10 176.45 1hlu n TYR 24 N 4.13 0.00 -1.90 1.90 4.11 -1.16 -2.50 117.16 121.73 1hlu n TYR 24 Ca -0.04 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.63 1hlu n TYR 24 Cb 0.51 -0.05 -0.06 0.00 -0.00 0.00 0.00 39.34 39.74 1hlu n TYR 24 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1hlu s LYS 25 N -2.75 2.25 0.00 -3.48 -0.14 -1.26 -4.25 119.74 110.12 1hlu s LYS 25 Ca 0.05 -0.10 0.00 0.00 -1.36 0.00 0.00 55.97 54.56 1hlu s LYS 25 Cb 0.13 -4.99 0.00 0.00 -1.68 0.00 0.00 37.83 31.29 1hlu s LYS 25 CO 0.73 -3.75 0.00 -0.25 -0.76 0.00 0.00 175.35 171.33 1hlu n ASP 26 N 15.44 0.00 -3.11 2.83 9.92 -1.26 -4.66 116.55 135.72 1hlu n ASP 26 Ca 0.42 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.52 1hlu n ASP 26 Cb 0.46 -1.44 -0.05 0.00 -0.64 0.00 0.00 41.12 39.44 1hlu n ASP 26 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1hlu s SER 27 N -1.83 0.10 0.36 -2.24 0.15 -1.26 -5.13 113.70 103.85 1hlu s SER 27 Ca 0.00 -2.34 -0.26 0.00 0.70 0.00 0.00 55.95 54.05 1hlu s SER 27 Cb 0.00 0.70 -0.12 0.00 -1.71 0.00 0.00 66.02 64.88 1hlu s SER 27 CO 0.00 -0.12 1.03 -2.65 1.20 0.00 0.00 173.24 172.70 1hlu n PRO 28 N 3.01 1.44 -3.58 5.44 -0.02 -1.25 -4.81 135.00 135.24 1hlu n PRO 28 Ca 0.23 0.51 0.01 0.00 -2.02 0.00 0.00 63.50 62.23 1hlu n PRO 28 Cb 0.51 -2.00 -0.06 0.00 -0.02 0.00 0.00 33.50 31.94 1hlu n PRO 28 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1hlu s SER 29 N -0.62 -0.21 -0.03 2.55 1.04 -1.04 -4.89 113.70 110.50 1hlu s SER 29 Ca 0.60 0.33 -0.30 0.00 0.48 0.00 0.00 55.95 57.07 1hlu s SER 29 Cb -0.61 1.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 1hlu s SER 29 CO 0.59 -0.05 1.47 -0.69 0.98 0.00 0.00 173.24 175.54 1hlu s VAL 30 N 1.33 3.68 -0.72 5.02 1.01 -1.26 -1.68 120.40 127.79 1hlu s VAL 30 Ca -0.07 0.99 0.25 0.00 0.00 0.00 0.00 61.98 63.15 1hlu s VAL 30 Cb -0.03 -3.64 0.07 0.00 0.00 0.00 0.00 36.38 32.79 1hlu s VAL 30 CO -0.12 -0.03 1.40 0.79 0.00 0.00 0.00 175.10 177.14 1hlu n TRP 31 N 5.96 0.48 0.00 5.22 7.02 0.21 -4.95 117.44 131.39 1hlu n TRP 31 Ca 0.14 0.14 0.00 0.00 -1.02 0.00 0.00 57.50 56.77 1hlu n TRP 31 Cb 0.43 -0.62 0.00 0.00 -2.42 0.00 0.00 31.31 28.71 1hlu n TRP 31 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1hlu n ALA 32 N -1.76 0.00 -3.66 6.99 0.00 -1.22 -4.72 120.51 116.14 1hlu n ALA 32 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 1hlu n ALA 32 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 1hlu n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hlu s ALA 33 N -1.01 -1.49 0.01 0.00 0.00 -1.26 -0.79 121.76 117.23 1hlu s ALA 33 Ca 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 1hlu s ALA 33 Cb 0.00 0.77 -0.06 0.00 0.00 0.00 0.00 23.12 23.83 1hlu s ALA 33 CO 0.00 -0.91 1.52 0.08 0.00 0.00 0.00 175.76 176.44 1hlu s VAL 34 N -3.66 3.48 0.25 0.00 1.01 -1.22 -4.96 120.40 115.31 1hlu s VAL 34 Ca 0.07 0.85 -0.23 0.00 0.00 0.00 0.00 61.98 62.67 1hlu s VAL 34 Cb -0.03 -3.55 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 1hlu s VAL 34 CO -0.02 -0.02 0.82 -2.16 0.00 0.00 0.00 175.10 173.73 1hlu s PRO 35 N 2.76 4.46 0.00 2.72 0.04 -1.26 -3.87 135.00 139.84 1hlu s PRO 35 Ca 0.68 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1hlu s PRO 35 Cb -0.34 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1hlu s PRO 35 CO 0.28 0.39 0.00 0.41 0.04 0.00 0.00 177.00 178.12 1hlu n GLY 36 N 0.85 0.60 0.00 0.56 0.00 -1.26 -5.04 105.19 100.90 1hlu n GLY 36 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1hlu n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hlu n LYS 37 N -2.77 3.93 -0.11 1.61 4.76 -1.25 -5.10 118.16 119.23 1hlu n LYS 37 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 1hlu n LYS 37 Cb 0.00 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.07 1hlu n LYS 37 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1hlu n THR 38 N 0.00 1.55 -0.25 -0.18 -2.24 -1.26 -4.44 114.28 107.46 1hlu n THR 38 Ca 0.00 -0.48 0.08 0.00 -2.27 0.00 0.00 64.05 61.39 1hlu n THR 38 Cb 0.00 -1.67 0.34 0.00 -2.10 0.00 0.00 70.33 66.90 1hlu n THR 38 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1hlu h PHE 39 N -0.38 0.86 -0.75 4.78 0.04 -1.88 0.34 116.94 119.94 1hlu h PHE 39 Ca -0.57 0.02 0.22 0.00 2.80 0.00 0.00 57.97 60.44 1hlu h PHE 39 Cb 1.78 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 39.62 1hlu h PHE 39 CO 0.01 0.39 0.67 -0.24 -0.60 0.00 0.00 178.31 178.55 1hlu h VAL 40 N 0.80 0.36 -0.35 -0.55 3.04 -1.79 0.31 116.25 118.07 1hlu h VAL 40 Ca 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.08 1hlu h VAL 40 Cb 0.45 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 1hlu h VAL 40 CO -0.16 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 176.99 1hlu n ASN 41 N -3.85 2.28 -4.73 3.17 3.02 0.11 -4.93 115.26 110.34 1hlu n ASN 41 Ca 0.15 -1.91 -0.42 0.00 -0.03 0.00 0.00 54.58 52.37 1hlu n ASN 41 Cb 0.94 -0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.86 1hlu n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hlu n ILE 42 N 0.73 0.93 -3.85 2.41 3.06 0.11 -4.48 119.36 118.28 1hlu n ILE 42 Ca 0.16 -0.23 -0.21 0.00 -2.50 0.00 0.00 62.75 59.96 1hlu n ILE 42 Cb 0.39 -1.86 -0.03 0.00 0.54 0.00 0.00 39.64 38.67 1hlu n ILE 42 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1hlu s THR 43 N 0.07 3.91 0.46 9.51 -4.23 -1.26 -4.85 115.64 119.25 1hlu s THR 43 Ca 0.66 -1.31 0.26 0.00 -1.18 0.00 0.00 61.69 60.11 1hlu s THR 43 Cb -0.53 -3.30 0.29 0.00 1.34 0.00 0.00 72.50 70.30 1hlu s THR 43 CO 0.48 -0.22 2.10 -0.65 -0.54 0.00 0.00 174.62 175.78 1hlu h PRO 44 N 1.26 0.00 -0.14 3.99 0.11 -1.94 -0.49 132.00 134.80 1hlu h PRO 44 Ca -0.46 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 1hlu h PRO 44 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1hlu h PRO 44 CO 0.58 0.10 -0.16 0.00 -0.21 0.00 0.00 178.00 178.32 1hlu h ALA 45 N 1.90 0.21 0.11 -0.75 0.00 -1.97 -1.20 119.26 117.56 1hlu h ALA 45 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1hlu h ALA 45 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1hlu h ALA 45 CO 0.01 0.11 -0.05 0.93 0.00 0.00 0.00 179.25 180.25 1hlu h GLU 46 N -0.02 -0.14 -0.29 0.00 5.08 -1.76 -2.12 114.58 115.34 1hlu h GLU 46 Ca 0.02 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1hlu h GLU 46 Cb 0.69 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1hlu h GLU 46 CO 0.04 -0.04 0.09 0.28 -1.00 0.00 0.00 179.01 178.38 1hlu h VAL 47 N -0.20 1.13 0.00 3.13 2.07 -1.16 -0.94 116.25 120.28 1hlu h VAL 47 Ca -0.01 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1hlu h VAL 47 Cb 0.16 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1hlu h VAL 47 CO 0.02 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.39 1hlu n GLY 48 N -1.20 -1.05 0.11 2.17 0.00 -0.45 -2.38 105.19 102.39 1hlu n GLY 48 Ca 0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1hlu n GLY 48 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1hlu n ILE 49 N -1.69 1.51 -0.06 -0.61 -0.00 -0.39 -3.55 119.36 114.57 1hlu n ILE 49 Ca 0.03 -0.76 -0.14 0.00 -0.00 0.00 0.00 62.75 61.88 1hlu n ILE 49 Cb 0.18 -0.97 -0.06 0.00 -0.00 0.00 0.00 39.64 38.79 1hlu n ILE 49 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1hlu h LEU 50 N 0.01 0.66 -1.44 1.39 3.38 -1.17 -2.57 115.31 115.57 1hlu h LEU 50 Ca -0.48 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 56.95 1hlu h LEU 50 Cb 2.09 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.65 1hlu h LEU 50 CO 0.02 1.08 0.00 0.52 0.09 0.00 0.00 178.44 180.15 1hlu n VAL 51 N -4.28 0.67 -0.62 1.22 0.31 -1.00 -4.97 118.33 109.67 1hlu n VAL 51 Ca -0.06 -0.42 -0.07 0.00 -0.01 0.00 0.00 64.34 63.77 1hlu n VAL 51 Cb 0.51 -0.13 0.07 0.00 -0.91 0.00 0.00 33.84 33.38 1hlu n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hlu n GLY 52 N 0.56 -0.95 0.09 2.92 0.00 -0.97 -5.00 105.19 101.84 1hlu n GLY 52 Ca 0.09 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 1hlu n GLY 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1hlu n LYS 53 N 0.86 0.52 -3.40 1.61 4.81 -1.26 -4.90 118.16 116.39 1hlu n LYS 53 Ca 0.03 0.55 -0.34 0.00 -0.87 0.00 0.00 58.31 57.69 1hlu n LYS 53 Cb 0.14 -1.72 -0.06 0.00 0.02 0.00 0.00 35.03 33.42 1hlu n LYS 53 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1hlu s ASP 54 N -6.40 6.72 -0.32 3.14 -4.77 -1.26 -4.98 116.67 108.79 1hlu s ASP 54 Ca -0.23 0.98 0.06 0.00 -3.30 0.00 0.00 52.55 50.06 1hlu s ASP 54 Cb 0.04 -2.25 0.46 0.00 -1.09 0.00 0.00 42.92 40.08 1hlu s ASP 54 CO 0.43 0.03 1.21 0.54 0.70 0.00 0.00 175.17 178.09 1hlu n ARG 55 N 0.38 3.57 0.00 2.11 5.12 -1.26 -4.78 116.66 121.79 1hlu n ARG 55 Ca -0.03 -4.17 0.00 0.00 -1.93 0.00 0.00 57.85 51.72 1hlu n ARG 55 Cb 0.52 -2.28 0.00 0.00 -1.16 0.00 0.00 32.46 29.54 1hlu n ARG 55 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1hlu n SER 56 N -0.69 0.70 -0.31 0.55 3.41 -1.26 -4.90 113.62 111.12 1hlu n SER 56 Ca 0.44 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 59.08 1hlu n SER 56 Cb 0.93 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 65.05 1hlu n SER 56 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1hlu h SER 57 N 0.00 0.77 0.11 4.04 0.02 -1.99 -1.43 113.55 115.06 1hlu h SER 57 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1hlu h SER 57 Cb 0.45 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1hlu h SER 57 CO 0.00 0.45 0.00 2.22 -1.14 0.00 0.00 176.83 178.36 1hlu n PHE 58 N -4.68 0.39 0.03 3.45 1.16 -1.26 -0.68 117.46 115.86 1hlu n PHE 58 Ca 0.14 0.19 -0.07 0.00 -1.87 0.00 0.00 57.45 55.84 1hlu n PHE 58 Cb 0.26 -0.81 0.11 0.00 -1.61 0.00 0.00 39.48 37.42 1hlu n PHE 58 CO 0.00 0.00 0.00 0.74 -1.87 0.00 0.00 176.76 175.63 1hlu h PHE 59 N 0.00 0.56 0.00 2.97 0.04 -1.57 -1.15 116.94 117.80 1hlu h PHE 59 Ca 0.00 -0.18 -0.08 0.00 2.80 0.00 0.00 57.97 60.51 1hlu h PHE 59 Cb 0.05 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 1hlu h PHE 59 CO 0.00 0.86 -0.58 0.28 -0.60 0.00 0.00 178.31 178.27 1hlu h VAL 60 N 0.37 0.74 0.00 -0.55 2.07 -1.04 -3.42 116.25 114.43 1hlu h VAL 60 Ca 0.02 -1.74 -0.11 0.00 0.82 0.00 0.00 66.70 65.69 1hlu h VAL 60 Cb 0.98 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1hlu h VAL 60 CO 0.09 0.25 -0.59 0.78 0.02 0.00 0.00 177.57 178.12 1hlu h ASN 61 N -1.00 0.01 0.00 0.57 4.21 -1.60 -3.51 115.58 114.26 1hlu h ASN 61 Ca -0.13 -0.78 0.00 0.00 1.21 0.00 0.00 56.30 56.60 1hlu h ASN 61 Cb 0.82 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.02 1hlu h ASN 61 CO -0.08 1.23 0.00 0.61 -1.29 0.00 0.00 177.43 177.91 1hlu n GLY 62 N 1.54 0.05 3.54 2.83 0.00 -0.43 -5.01 105.19 107.70 1hlu n GLY 62 Ca -0.20 -2.12 -0.14 0.00 0.00 0.00 0.00 46.02 43.56 1hlu n GLY 62 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1hlu s LEU 63 N 0.00 -0.51 0.05 0.99 0.05 -1.03 -4.53 118.68 113.68 1hlu s LEU 63 Ca 0.00 0.54 0.01 0.00 0.05 0.00 0.00 54.13 54.73 1hlu s LEU 63 Cb 0.00 2.21 -0.04 0.00 -2.05 0.00 0.00 46.19 46.31 1hlu s LEU 63 CO 0.00 -0.49 0.09 0.42 -0.55 0.00 0.00 176.35 175.82 1hlu s THR 64 N -1.25 4.70 -0.48 5.48 -4.23 -1.24 0.23 115.64 118.84 1hlu s THR 64 Ca -0.06 -0.59 0.03 0.00 -1.18 0.00 0.00 61.69 59.89 1hlu s THR 64 Cb -0.00 -3.22 0.13 0.00 1.34 0.00 0.00 72.50 70.75 1hlu s THR 64 CO 0.05 0.21 0.25 -0.76 -0.54 0.00 0.00 174.62 173.84 1hlu s LEU 65 N -2.15 3.59 -0.31 4.79 1.02 0.02 -4.63 118.68 121.00 1hlu s LEU 65 Ca 0.27 -2.85 -0.02 0.00 0.02 0.00 0.00 54.13 51.56 1hlu s LEU 65 Cb -0.12 -1.37 0.00 0.00 0.02 0.00 0.00 46.19 44.72 1hlu s LEU 65 CO 0.20 -0.25 0.27 0.61 0.02 0.00 0.00 176.35 177.20 1hlu n GLY 66 N 3.30 0.56 2.21 -3.19 0.00 -1.26 -2.85 105.19 103.94 1hlu n GLY 66 Ca 0.07 -0.44 -0.03 0.00 0.00 0.00 0.00 46.02 45.62 1hlu n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hlu n GLY 67 N -0.88 0.58 3.51 -0.02 0.00 -1.26 -4.92 105.19 102.20 1hlu n GLY 67 Ca -0.01 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 1hlu n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1hlu s GLN 68 N -1.45 3.78 -0.08 1.61 2.00 -1.13 -5.00 119.66 119.38 1hlu s GLN 68 Ca 0.00 -0.41 -0.30 0.00 -2.00 0.00 0.00 55.36 52.65 1hlu s GLN 68 Cb 0.00 -3.49 -0.05 0.00 0.80 0.00 0.00 33.01 30.27 1hlu s GLN 68 CO 0.00 -0.19 1.58 0.15 -0.50 0.00 0.00 175.29 176.33 1hlu s LYS 69 N 1.68 4.17 0.08 1.67 1.02 -1.26 -0.80 119.74 126.30 1hlu s LYS 69 Ca 0.07 2.06 0.10 0.00 0.02 0.00 0.00 55.97 58.21 1hlu s LYS 69 Cb -0.16 -3.95 -0.03 0.00 -0.52 0.00 0.00 37.83 33.17 1hlu s LYS 69 CO 0.07 -0.85 -0.26 0.00 -0.92 0.00 0.00 175.35 173.40 1hlu s SER 71 N -1.59 5.52 0.29 0.00 0.01 -0.06 -2.47 113.70 115.41 1hlu s SER 71 Ca 0.12 -0.03 -0.28 0.00 1.31 0.00 0.00 55.95 57.07 1hlu s SER 71 Cb -0.10 -1.97 -0.09 0.00 0.21 0.00 0.00 66.02 64.06 1hlu s SER 71 CO 0.04 0.07 1.04 -0.69 0.41 0.00 0.00 173.24 174.12 1hlu s VAL 72 N 0.97 3.70 -0.06 3.43 1.01 -1.26 -1.56 120.40 126.63 1hlu s VAL 72 Ca 0.05 1.62 -0.09 0.00 0.00 0.00 0.00 61.98 63.56 1hlu s VAL 72 Cb -0.14 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1hlu s VAL 72 CO 0.03 0.32 -0.18 -0.38 0.00 0.00 0.00 175.10 174.89 1hlu n ILE 73 N 1.00 1.26 -4.25 2.22 5.41 0.38 -4.94 119.36 120.44 1hlu n ILE 73 Ca -0.00 0.19 -0.20 0.00 1.00 0.00 0.00 62.75 63.74 1hlu n ILE 73 Cb 0.46 -1.92 -0.12 0.00 -0.71 0.00 0.00 39.64 37.36 1hlu n ILE 73 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1hlu s ARG 74 N -2.42 1.03 -0.14 0.38 0.52 -1.15 -4.98 118.95 112.19 1hlu s ARG 74 Ca -0.16 -1.18 -0.03 0.00 -0.52 0.00 0.00 55.73 53.84 1hlu s ARG 74 Cb 0.03 -1.03 0.05 0.00 0.52 0.00 0.00 34.95 34.52 1hlu s ARG 74 CO 0.22 0.22 0.05 0.34 0.02 0.00 0.00 175.30 176.15 1hlu s ASP 75 N -2.22 2.21 -0.00 0.23 -1.08 -1.26 -1.00 116.67 113.55 1hlu s ASP 75 Ca 0.07 -0.48 0.00 0.00 -0.52 0.00 0.00 52.55 51.62 1hlu s ASP 75 Cb -0.07 -0.39 0.01 0.00 -1.46 0.00 0.00 42.92 41.01 1hlu s ASP 75 CO 0.04 -0.29 0.78 -1.20 0.52 0.00 0.00 175.17 175.01 1hlu n SER 76 N 5.18 0.08 -0.28 -0.34 7.64 0.16 -4.91 113.62 121.15 1hlu n SER 76 Ca -0.07 -1.57 0.10 0.00 1.01 0.00 0.00 58.87 58.33 1hlu n SER 76 Cb 0.49 -0.11 0.25 0.00 -1.01 0.00 0.00 64.21 63.82 1hlu n SER 76 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1hlu h LEU 77 N 0.00 0.06 -0.45 -3.43 7.12 -1.31 0.16 115.31 117.45 1hlu h LEU 77 Ca 0.00 0.17 0.00 0.00 0.13 0.00 0.00 57.88 58.18 1hlu h LEU 77 Cb 1.20 0.22 0.00 0.00 -0.53 0.00 0.00 40.66 41.54 1hlu h LEU 77 CO 0.00 -0.08 -0.33 0.18 -0.13 0.00 0.00 178.44 178.08 1hlu n LEU 78 N -5.17 1.03 -4.66 2.25 4.77 -1.26 -4.48 117.00 109.48 1hlu n LEU 78 Ca 0.18 -0.27 -0.40 0.00 -0.03 0.00 0.00 56.01 55.50 1hlu n LEU 78 Cb 0.58 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1hlu n LEU 78 CO 0.10 0.20 0.30 -1.10 -1.33 0.00 0.00 177.39 175.56 1hlu s GLN 79 N -2.58 4.21 0.88 3.23 -1.52 0.03 -4.99 119.66 118.92 1hlu s GLN 79 Ca 0.22 0.51 -0.14 0.00 -1.95 0.00 0.00 55.36 54.00 1hlu s GLN 79 Cb 0.19 -3.57 0.01 0.00 -0.22 0.00 0.00 33.01 29.42 1hlu s GLN 79 CO 0.56 -0.18 0.41 -3.47 -0.25 0.00 0.00 175.29 172.35 1hlu n ASP 80 N 4.88 -1.92 0.00 5.90 2.03 -1.26 -1.85 116.55 124.34 1hlu n ASP 80 Ca -0.03 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.68 1hlu n ASP 80 Cb 0.50 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 1hlu n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1hlu n GLY 81 N 1.60 0.88 0.00 0.27 0.00 -1.26 -4.58 105.19 102.10 1hlu n GLY 81 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1hlu n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hlu n GLU 82 N 0.00 0.00 -0.63 1.61 1.02 -1.07 -5.01 120.64 116.56 1hlu n GLU 82 Ca 0.00 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1hlu n GLU 82 Cb 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 1hlu n GLU 82 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1hlu n PHE 83 N -1.53 0.00 -4.26 -0.32 3.72 -0.77 -5.01 117.46 109.29 1hlu n PHE 83 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 1hlu n PHE 83 Cb 0.00 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 1hlu n PHE 83 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1hlu s THR 84 N -2.83 3.23 -0.01 4.37 -1.32 -1.24 -1.38 115.64 116.46 1hlu s THR 84 Ca 0.00 -1.42 0.01 0.00 -1.21 0.00 0.00 61.69 59.07 1hlu s THR 84 Cb 0.00 -2.53 0.01 0.00 -1.51 0.00 0.00 72.50 68.46 1hlu s THR 84 CO 0.00 0.05 -0.03 -0.32 -2.21 0.00 0.00 174.62 172.11 1hlu s MET 85 N -2.37 0.31 -0.04 7.08 0.00 -0.76 0.37 119.30 123.89 1hlu s MET 85 Ca 0.22 -0.08 0.06 0.00 0.00 0.00 0.00 55.69 55.89 1hlu s MET 85 Cb -0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 34.83 34.36 1hlu s MET 85 CO 0.14 0.02 -0.23 -0.51 0.00 0.00 0.00 175.02 174.43 1hlu s ASP 86 N 0.21 3.26 0.22 1.11 1.01 -0.17 -1.88 116.67 120.44 1hlu s ASP 86 Ca -0.02 -0.43 0.05 0.00 0.71 0.00 0.00 52.55 52.86 1hlu s ASP 86 Cb -0.05 -0.64 -0.05 0.00 1.01 0.00 0.00 42.92 43.19 1hlu s ASP 86 CO -0.00 0.29 -0.06 -0.76 0.21 0.00 0.00 175.17 174.85 1hlu s LEU 87 N -0.45 2.40 -0.02 1.23 1.43 0.46 -0.47 118.68 123.25 1hlu s LEU 87 Ca 0.05 -1.14 0.02 0.00 -1.03 0.00 0.00 54.13 52.03 1hlu s LEU 87 Cb -0.12 -0.45 0.01 0.00 0.03 0.00 0.00 46.19 45.66 1hlu s LEU 87 CO 0.01 -0.38 -0.07 -0.60 0.23 0.00 0.00 176.35 175.55 1hlu s ARG 88 N -3.77 0.79 1.04 1.70 3.00 -0.60 -1.37 118.95 119.74 1hlu s ARG 88 Ca 0.25 -0.22 -0.13 0.00 -1.00 0.00 0.00 55.73 54.64 1hlu s ARG 88 Cb 0.03 -0.76 0.21 0.00 0.00 0.00 0.00 34.95 34.44 1hlu s ARG 88 CO 0.08 0.06 1.08 0.95 0.00 0.00 0.00 175.30 177.47 1hlu s THR 89 N 0.31 2.03 -0.41 4.11 -4.23 0.22 -0.88 115.64 116.80 1hlu s THR 89 Ca -0.04 0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.51 1hlu s THR 89 Cb -0.09 -2.41 0.11 0.00 1.34 0.00 0.00 72.50 71.46 1hlu s THR 89 CO 0.00 -0.01 0.15 -0.54 -0.54 0.00 0.00 174.62 173.68 1hlu s LYS 90 N -4.86 1.57 0.00 3.99 1.02 -0.17 -4.67 119.74 116.62 1hlu s LYS 90 Ca 0.66 -2.09 0.00 0.00 0.02 0.00 0.00 55.97 54.57 1hlu s LYS 90 Cb -0.20 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 1hlu s LYS 90 CO 0.59 -1.03 0.00 -1.13 -0.92 0.00 0.00 175.35 172.87 1hlu n SER 91 N 3.83 -0.39 -3.66 2.83 3.41 -1.26 -4.81 113.62 113.57 1hlu n SER 91 Ca 0.04 -0.18 -0.11 0.00 -0.26 0.00 0.00 58.87 58.37 1hlu n SER 91 Cb 0.38 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.22 1hlu n SER 91 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1hlu s THR 92 N -0.37 -0.54 -0.63 6.66 2.01 -1.26 -5.00 115.64 116.50 1hlu s THR 92 Ca 0.00 0.22 -0.12 0.00 0.31 0.00 0.00 61.69 62.10 1hlu s THR 92 Cb 0.00 -0.57 0.02 0.00 0.01 0.00 0.00 72.50 71.96 1hlu s THR 92 CO 0.00 0.09 0.64 0.61 -0.69 0.00 0.00 174.62 175.27 1hlu n GLY 93 N 5.37 -0.98 4.03 4.40 0.00 -1.26 -2.66 105.19 114.10 1hlu n GLY 93 Ca -0.07 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.79 1hlu n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hlu n GLY 94 N -1.06 2.87 3.60 -0.02 0.00 -1.26 -4.98 105.19 104.35 1hlu n GLY 94 Ca -0.08 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.47 1hlu n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hlu n ALA 95 N 0.03 -0.25 -1.79 4.61 0.00 -1.09 -4.90 120.51 117.13 1hlu n ALA 95 Ca 0.00 0.45 -0.34 0.00 0.00 0.00 0.00 53.44 53.55 1hlu n ALA 95 Cb 0.00 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.32 1hlu n ALA 95 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1hlu s PRO 96 N -0.42 3.78 0.25 0.00 0.04 -1.26 -4.54 135.00 132.86 1hlu s PRO 96 Ca 0.71 1.36 0.09 0.00 0.04 0.00 0.00 61.00 63.20 1hlu s PRO 96 Cb -0.79 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 1hlu s PRO 96 CO 0.52 -0.44 -0.02 0.95 0.04 0.00 0.00 177.00 178.04 1hlu s THR 97 N -1.99 3.40 0.02 1.26 -4.23 -1.26 -4.73 115.64 108.11 1hlu s THR 97 Ca 0.67 -1.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 1hlu s THR 97 Cb -0.16 -2.80 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 1hlu s THR 97 CO 0.20 -0.33 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.52 1hlu s PHE 98 N -2.22 0.65 0.39 3.99 0.08 -1.26 -4.75 117.98 114.84 1hlu s PHE 98 Ca 0.30 -0.32 -0.19 0.00 0.12 0.00 0.00 56.93 56.84 1hlu s PHE 98 Cb -0.07 -0.40 -0.10 0.00 -0.57 0.00 0.00 43.02 41.88 1hlu s PHE 98 CO 0.19 -0.04 0.88 -0.80 -0.10 0.00 0.00 175.22 175.35 1hlu s ASN 99 N -0.95 6.91 0.00 1.36 -0.87 -1.26 -0.61 114.94 119.53 1hlu s ASN 99 Ca -0.04 1.57 0.00 0.00 -1.57 0.00 0.00 52.86 52.82 1hlu s ASN 99 Cb -0.07 -2.49 -0.01 0.00 -0.02 0.00 0.00 41.25 38.67 1hlu s ASN 99 CO 0.00 -0.29 -0.02 -0.63 -2.57 0.00 0.00 177.10 173.60 1hlu s ILE 100 N -2.08 0.12 -0.05 0.60 1.01 -0.47 -1.28 121.20 119.05 1hlu s ILE 100 Ca 0.59 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.99 1hlu s ILE 100 Cb -0.10 -0.14 0.03 0.00 0.01 0.00 0.00 42.46 42.26 1hlu s ILE 100 CO 0.15 -0.08 0.03 0.28 0.00 0.00 0.00 174.94 175.32 1hlu s THR 101 N -0.32 0.13 -0.19 2.92 -1.32 -0.40 -0.40 115.64 116.06 1hlu s THR 101 Ca -0.03 0.26 -0.06 0.00 -1.21 0.00 0.00 61.69 60.65 1hlu s THR 101 Cb -0.02 -0.33 -0.03 0.00 -1.51 0.00 0.00 72.50 70.60 1hlu s THR 101 CO -0.00 0.21 0.04 0.68 -2.21 0.00 0.00 174.62 173.33 1hlu s VAL 102 N 1.94 4.44 -0.08 5.08 -7.23 -0.79 -2.55 120.40 121.21 1hlu s VAL 102 Ca 0.03 -0.15 0.05 0.00 -1.81 0.00 0.00 61.98 60.10 1hlu s VAL 102 Cb -0.12 -3.01 -0.00 0.00 0.56 0.00 0.00 36.38 33.81 1hlu s VAL 102 CO -0.04 0.44 -0.24 0.28 -0.31 0.00 0.00 175.10 175.24 1hlu s THR 103 N 0.64 2.00 0.43 5.32 -1.32 0.21 -1.82 115.64 121.11 1hlu s THR 103 Ca 0.02 -1.01 -0.10 0.00 -1.21 0.00 0.00 61.69 59.39 1hlu s THR 103 Cb -0.13 -1.72 -0.06 0.00 -1.51 0.00 0.00 72.50 69.08 1hlu s THR 103 CO 0.02 0.55 0.80 -0.32 -2.21 0.00 0.00 174.62 173.46 1hlu s MET 104 N 0.17 3.74 0.23 7.08 1.75 -0.48 0.08 119.30 131.87 1hlu s MET 104 Ca -0.13 0.47 0.05 0.00 -1.25 0.00 0.00 55.69 54.83 1hlu s MET 104 Cb -0.16 -2.36 -0.02 0.00 2.84 0.00 0.00 34.83 35.13 1hlu s MET 104 CO 0.07 -0.10 0.20 0.25 -0.65 0.00 0.00 175.02 174.79 1hlu n THR 105 N -1.54 0.00 -0.10 10.11 -2.24 0.67 -4.93 114.28 116.25 1hlu n THR 105 Ca 0.02 -1.72 -0.06 0.00 -2.27 0.00 0.00 64.05 60.03 1hlu n THR 105 Cb 0.54 0.86 0.01 0.00 -2.10 0.00 0.00 70.33 69.64 1hlu n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hlu h ALA 106 N 1.76 0.13 0.00 6.98 0.00 -1.88 -3.34 119.26 122.91 1hlu h ALA 106 Ca -0.17 0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1hlu h ALA 106 Cb 0.85 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1hlu h ALA 106 CO 0.24 -0.53 -1.74 1.63 0.00 0.00 0.00 179.25 178.85 1hlu n LYS 107 N -5.34 1.08 -3.19 0.00 5.02 -0.10 -4.93 118.16 110.69 1hlu n LYS 107 Ca 0.02 0.05 -0.18 0.00 -2.02 0.00 0.00 58.31 56.17 1hlu n LYS 107 Cb 0.25 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1hlu n LYS 107 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1hlu s THR 108 N -2.26 2.82 -0.20 -0.18 -4.23 -0.89 -2.98 115.64 107.72 1hlu s THR 108 Ca -0.13 -1.11 -0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1hlu s THR 108 Cb 0.04 -2.93 0.05 0.00 1.34 0.00 0.00 72.50 71.00 1hlu s THR 108 CO 0.35 0.00 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.63 1hlu s LEU 109 N -4.30 1.93 -0.41 4.79 1.02 0.15 -0.24 118.68 121.62 1hlu s LEU 109 Ca 0.53 -0.89 -0.17 0.00 0.02 0.00 0.00 54.13 53.62 1hlu s LEU 109 Cb -0.08 -0.98 0.02 0.00 0.02 0.00 0.00 46.19 45.18 1hlu s LEU 109 CO 0.32 -0.22 0.41 -0.69 0.02 0.00 0.00 176.35 176.19 1hlu s VAL 110 N 1.57 5.12 0.08 -1.59 1.01 0.11 -1.27 120.40 125.43 1hlu s VAL 110 Ca -0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 1hlu s VAL 110 Cb -0.17 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1hlu s VAL 110 CO -0.07 -0.38 0.28 -0.76 0.00 0.00 0.00 175.10 174.16 1hlu s LEU 111 N 2.06 4.33 -0.16 3.92 2.01 -1.01 -0.62 118.68 129.21 1hlu s LEU 111 Ca 0.11 0.43 -0.10 0.00 0.01 0.00 0.00 54.13 54.58 1hlu s LEU 111 Cb -0.17 -3.02 0.05 0.00 0.01 0.00 0.00 46.19 43.06 1hlu s LEU 111 CO 0.13 0.15 0.41 -0.22 1.01 0.00 0.00 176.35 177.82 1hlu s LEU 112 N -2.42 0.04 -0.14 1.79 2.96 -1.06 -2.96 118.68 116.89 1hlu s LEU 112 Ca 0.36 0.87 0.01 0.00 -0.22 0.00 0.00 54.13 55.15 1hlu s LEU 112 Cb -0.13 1.34 0.02 0.00 0.50 0.00 0.00 46.19 47.92 1hlu s LEU 112 CO 0.25 -0.18 -0.17 -0.32 -1.32 0.00 0.00 176.35 174.60 1hlu s MET 113 N 1.14 2.52 0.82 1.98 -2.45 -0.17 -1.27 119.30 121.87 1hlu s MET 113 Ca -0.07 -0.66 -0.12 0.00 -1.25 0.00 0.00 55.69 53.59 1hlu s MET 113 Cb -0.07 -2.17 0.09 0.00 1.25 0.00 0.00 34.83 33.92 1hlu s MET 113 CO -0.10 -0.13 1.11 0.20 1.05 0.00 0.00 175.02 177.16 1hlu s GLY 114 N 1.15 1.61 0.00 2.11 0.00 -0.40 -0.71 107.32 111.08 1hlu s GLY 114 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.37 1hlu s GLY 114 CO -0.06 0.13 0.00 0.28 0.00 0.00 0.00 173.10 173.45 1hlu n LYS 115 N -3.49 2.88 -2.79 2.90 4.76 0.14 -4.47 118.16 118.09 1hlu n LYS 115 Ca 0.07 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.08 1hlu n LYS 115 Cb 0.57 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.73 1hlu n LYS 115 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1hlu s GLU 116 N 0.45 3.57 0.00 1.97 2.56 -1.26 -3.88 118.70 122.11 1hlu s GLU 116 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.97 55.20 1hlu s GLU 116 Cb 0.00 -3.92 0.00 0.00 2.00 0.00 0.00 34.13 32.21 1hlu s GLU 116 CO 0.00 -1.24 0.00 0.41 -0.56 0.00 0.00 175.26 173.87 1hlu n GLY 117 N 4.90 1.00 3.65 -1.50 0.00 -1.26 -5.05 105.19 106.93 1hlu n GLY 117 Ca 0.07 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 1hlu n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hlu s VAL 118 N -2.00 5.17 0.41 1.61 1.01 -1.25 -5.05 120.40 120.30 1hlu s VAL 118 Ca 0.00 0.11 -0.25 0.00 0.00 0.00 0.00 61.98 61.84 1hlu s VAL 118 Cb 0.00 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 1hlu s VAL 118 CO 0.00 0.39 1.21 -2.28 0.00 0.00 0.00 175.10 174.41 1hlu s HIS 119 N 0.81 2.96 0.50 5.22 2.46 -1.26 -4.75 115.29 121.24 1hlu s HIS 119 Ca 0.07 1.51 0.18 0.00 0.47 0.00 0.00 55.06 57.29 1hlu s HIS 119 Cb -0.13 -3.47 1.25 0.00 -0.13 0.00 0.00 32.58 30.10 1hlu s HIS 119 CO 0.02 -1.57 2.07 0.78 -2.47 0.00 0.00 174.74 173.57 1hlu h GLY 120 N 2.55 0.12 1.33 1.59 0.00 -1.97 -1.66 103.07 105.04 1hlu h GLY 120 Ca -0.49 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 1hlu h GLY 120 CO 0.62 0.03 0.29 -1.33 0.00 0.00 0.00 176.54 176.15 1hlu h GLY 121 N 0.09 0.93 0.78 4.60 0.00 -1.99 0.16 103.07 107.64 1hlu h GLY 121 Ca 0.13 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1hlu h GLY 121 CO -0.01 0.42 -0.37 1.98 0.00 0.00 0.00 176.54 178.55 1hlu h MET 122 N 0.86 -1.00 -0.62 4.80 -1.53 -1.69 -1.75 114.93 114.00 1hlu h MET 122 Ca 0.21 0.07 0.14 0.00 -3.44 0.00 0.00 59.70 56.68 1hlu h MET 122 Cb 0.09 0.23 -0.04 0.00 -0.55 0.00 0.00 31.60 31.34 1hlu h MET 122 CO -0.03 -0.67 0.43 0.82 0.14 0.00 0.00 176.91 177.60 1hlu h ILE 123 N -1.14 0.80 0.17 1.77 2.04 -1.45 -1.84 117.51 117.86 1hlu h ILE 123 Ca -0.11 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1hlu h ILE 123 Cb 0.80 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1hlu h ILE 123 CO 0.17 0.04 -0.08 -1.13 0.00 0.00 0.00 178.15 177.16 1hlu h ASN 124 N 0.25 -0.20 -0.53 1.72 -0.73 -0.51 -1.27 115.58 114.30 1hlu h ASN 124 Ca 0.30 -0.34 0.10 0.00 1.87 0.00 0.00 56.30 58.24 1hlu h ASN 124 Cb 0.83 0.05 -0.09 0.00 0.27 0.00 0.00 38.32 39.39 1hlu h ASN 124 CO -0.06 0.33 0.02 0.50 -0.37 0.00 0.00 177.43 177.85 1hlu h LYS 125 N -0.84 0.13 -0.27 6.67 3.64 -0.93 0.33 116.57 125.30 1hlu h LYS 125 Ca -0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1hlu h LYS 125 Cb 0.52 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1hlu h LYS 125 CO 0.04 0.09 0.14 0.87 -2.27 0.00 0.00 179.45 178.32 1hlu h LYS 126 N 0.14 0.38 0.00 1.90 1.57 -1.38 0.42 116.57 119.59 1hlu h LYS 126 Ca 0.27 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.90 1hlu h LYS 126 Cb 0.42 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1hlu h LYS 126 CO -0.44 0.35 -0.48 0.00 -0.57 0.00 0.00 179.45 178.31 1hlu h TYR 128 N 0.00 0.32 -0.61 0.00 3.20 0.27 -2.02 116.97 118.13 1hlu h TYR 128 Ca -0.00 -0.12 0.06 0.00 3.14 0.00 0.00 58.73 61.81 1hlu h TYR 128 Cb 0.88 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 39.04 1hlu h TYR 128 CO 0.00 0.78 0.30 0.93 -1.64 0.00 0.00 178.16 178.53 1hlu h GLU 129 N -0.22 0.55 -0.58 1.82 4.39 -0.17 -2.17 114.58 118.19 1hlu h GLU 129 Ca 0.00 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 1hlu h GLU 129 Cb 0.76 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1hlu h GLU 129 CO 0.04 0.36 0.07 1.98 -1.16 0.00 0.00 179.01 180.30 1hlu h MET 130 N 0.56 0.98 0.00 2.33 4.05 -1.45 -2.76 114.93 118.64 1hlu h MET 130 Ca 0.28 -0.27 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1hlu h MET 130 Cb 0.22 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.91 1hlu h MET 130 CO -0.21 0.94 -0.08 0.00 0.23 0.00 0.00 176.91 177.79 1hlu h ALA 131 N 1.00 1.64 0.00 0.39 0.00 -0.84 -1.85 119.26 119.60 1hlu h ALA 131 Ca 0.17 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1hlu h ALA 131 Cb 0.45 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1hlu h ALA 131 CO 0.02 0.10 -0.01 0.77 0.00 0.00 0.00 179.25 180.12 1hlu h SER 132 N 0.00 0.00 0.21 0.00 0.02 -1.10 0.68 113.55 113.35 1hlu h SER 132 Ca -0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 1hlu h SER 132 Cb 0.16 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.73 1hlu h SER 132 CO 0.01 0.01 -1.19 -0.74 -1.14 0.00 0.00 176.83 173.78 1hlu h HIS 133 N 0.00 0.80 -0.05 3.45 6.17 -1.34 -2.26 115.15 121.92 1hlu h HIS 133 Ca -0.00 -0.58 -0.02 0.00 0.71 0.00 0.00 60.37 60.48 1hlu h HIS 133 Cb 0.72 -0.03 -0.00 0.00 2.52 0.00 0.00 27.41 30.62 1hlu h HIS 133 CO 0.00 1.46 -0.04 -0.07 0.71 0.00 0.00 177.93 179.98 1hlu h LEU 134 N -0.08 0.12 -1.84 0.26 4.07 -1.44 -3.12 115.31 113.29 1hlu h LEU 134 Ca -0.21 -0.48 0.22 0.00 0.08 0.00 0.00 57.88 57.49 1hlu h LEU 134 Cb 1.94 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 43.62 1hlu h LEU 134 CO 0.22 0.57 0.69 -0.09 -1.08 0.00 0.00 178.44 178.76 1hlu h ARG 135 N -0.33 0.00 0.00 1.13 2.43 -0.87 0.59 114.38 117.32 1hlu h ARG 135 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1hlu h ARG 135 Cb 0.54 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1hlu h ARG 135 CO 0.01 0.00 -0.94 0.54 -1.51 0.00 0.00 179.97 178.07 1hlu n ARG 136 N -3.81 0.48 -1.22 0.20 1.74 -0.85 -3.91 116.66 109.28 1hlu n ARG 136 Ca 0.16 0.08 -0.25 0.00 -0.77 0.00 0.00 57.85 57.07 1hlu n ARG 136 Cb 0.96 -1.74 0.16 0.00 -1.02 0.00 0.00 32.46 30.82 1hlu n ARG 136 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1hlu n SER 137 N -2.41 4.20 0.00 0.55 7.64 0.20 -4.87 113.62 118.93 1hlu n SER 137 Ca 0.01 -3.60 0.00 0.00 1.01 0.00 0.00 58.87 56.29 1hlu n SER 137 Cb 0.50 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1hlu n SER 137 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hlu n GLN 138 N -1.09 -1.02 0.00 1.43 3.00 -1.20 -5.03 117.38 113.47 1hlu n GLN 138 Ca 0.59 0.26 0.14 0.00 -0.01 0.00 0.00 57.00 57.98 1hlu n GLN 138 Cb 1.54 -4.51 0.57 0.00 0.00 0.00 0.00 30.24 27.84 1hlu n GLN 138 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72