#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqm s VAL 29 N 0.00 -0.00 -0.24 3.15 1.01 -1.26 -2.95 120.40 120.11 3hqm s VAL 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.99 3hqm s VAL 29 Cb 0.00 -0.58 0.04 0.00 0.00 0.00 0.00 36.38 35.84 3hqm s VAL 29 CO 0.00 0.00 -0.10 -0.69 0.00 0.00 0.00 175.10 174.31 3hqm s VAL 30 N 0.27 2.48 -0.13 2.92 1.01 -0.47 -4.95 120.40 121.53 3hqm s VAL 30 Ca -0.00 -1.22 -0.05 0.00 0.00 0.00 0.00 61.98 60.71 3hqm s VAL 30 Cb -0.03 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3hqm s VAL 30 CO -0.00 0.19 0.04 -0.75 0.00 0.00 0.00 175.10 174.58 3hqm s LYS 31 N 1.24 3.47 0.30 2.72 2.20 -1.26 -0.91 119.74 127.50 3hqm s LYS 31 Ca -0.02 -0.35 -0.15 0.00 -0.36 0.00 0.00 55.97 55.10 3hqm s LYS 31 Cb -0.17 -3.02 0.02 0.00 -1.51 0.00 0.00 37.83 33.15 3hqm s LYS 31 CO -0.06 0.53 0.62 -0.59 -0.36 0.00 0.00 175.35 175.48 3hqm s PHE 32 N -0.36 0.23 0.15 4.03 -0.71 -0.37 -5.00 117.98 115.95 3hqm s PHE 32 Ca 0.08 -0.67 -0.08 0.00 -1.04 0.00 0.00 56.93 55.22 3hqm s PHE 32 Cb -0.12 0.45 -0.01 0.00 -1.21 0.00 0.00 43.02 42.13 3hqm s PHE 32 CO 0.02 -1.21 0.24 -1.54 -1.34 0.00 0.00 175.22 171.39 3hqm s SER 33 N -3.03 0.08 -0.07 1.98 1.04 -1.26 -0.62 113.70 111.82 3hqm s SER 33 Ca 0.18 -0.88 -0.05 0.00 0.48 0.00 0.00 55.95 55.68 3hqm s SER 33 Cb -0.03 0.41 0.03 0.00 0.10 0.00 0.00 66.02 66.53 3hqm s SER 33 CO 0.10 -0.85 0.18 -0.47 0.98 0.00 0.00 173.24 173.18 3hqm s TYR 34 N -3.96 -0.21 -0.20 5.02 5.04 -0.07 -4.93 117.35 118.03 3hqm s TYR 34 Ca 0.16 0.55 -0.07 0.00 -2.44 0.00 0.00 57.07 55.27 3hqm s TYR 34 Cb 0.04 0.01 -0.04 0.00 0.35 0.00 0.00 41.96 42.33 3hqm s TYR 34 CO -0.01 -0.15 0.05 1.41 -1.34 0.00 0.00 175.55 175.51 3hqm s MET 35 N 0.73 3.82 -0.21 4.97 -2.45 -1.26 -0.85 119.30 124.05 3hqm s MET 35 Ca -0.05 -0.41 -0.00 0.00 -1.25 0.00 0.00 55.69 53.97 3hqm s MET 35 Cb -0.07 -3.22 0.02 0.00 1.25 0.00 0.00 34.83 32.82 3hqm s MET 35 CO -0.04 0.11 -0.13 -0.46 1.05 0.00 0.00 175.02 175.55 3hqm s TRP 36 N 0.81 2.93 -0.25 4.11 -0.00 0.76 -4.99 118.94 122.31 3hqm s TRP 36 Ca 0.03 -1.57 -0.08 0.00 -0.00 0.00 0.00 56.10 54.48 3hqm s TRP 36 Cb -0.14 -1.98 -0.03 0.00 -0.00 0.00 0.00 33.47 31.32 3hqm s TRP 36 CO 0.02 -0.75 0.09 0.99 -0.00 0.00 0.00 176.95 177.30 3hqm s THR 37 N 1.31 4.50 -0.44 5.86 2.01 -1.26 -0.44 115.64 127.19 3hqm s THR 37 Ca 0.03 -0.11 -0.11 0.00 0.31 0.00 0.00 61.69 61.80 3hqm s THR 37 Cb -0.15 -3.10 0.08 0.00 0.01 0.00 0.00 72.50 69.34 3hqm s THR 37 CO -0.09 0.34 0.31 -0.63 -0.69 0.00 0.00 174.62 173.87 3hqm s ILE 38 N 1.51 4.57 0.54 1.82 1.01 0.88 -4.97 121.20 126.56 3hqm s ILE 38 Ca 0.06 -1.31 -0.18 0.00 0.00 0.00 0.00 60.65 59.22 3hqm s ILE 38 Cb -0.15 -3.79 -0.06 0.00 0.01 0.00 0.00 42.46 38.47 3hqm s ILE 38 CO 0.05 -0.55 1.05 0.20 0.00 0.00 0.00 174.94 175.68 3hqm s ASN 39 N 2.34 6.09 -1.42 3.58 0.01 -1.26 -1.41 114.94 122.86 3hqm s ASN 39 Ca 0.03 1.86 -0.07 0.00 -0.71 0.00 0.00 52.86 53.98 3hqm s ASN 39 Cb -0.24 -2.55 0.04 0.00 0.41 0.00 0.00 41.25 38.92 3hqm s ASN 39 CO 0.03 -0.95 0.84 0.59 -1.51 0.00 0.00 177.10 176.10 3hqm n ASN 40 N -1.49 -3.02 -0.36 -1.22 3.02 -0.61 -4.86 115.26 106.72 3hqm n ASN 40 Ca 0.09 -0.80 0.02 0.00 -0.03 0.00 0.00 54.58 53.86 3hqm n ASN 40 Cb 0.53 -3.96 0.17 0.00 -0.61 0.00 0.00 39.78 35.91 3hqm n ASN 40 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3hqm h PHE 41 N -1.99 1.20 0.00 3.10 3.57 -1.22 -0.70 116.94 120.90 3hqm h PHE 41 Ca -0.60 0.03 0.00 0.00 3.53 0.00 0.00 57.97 60.93 3hqm h PHE 41 Cb 1.37 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.71 3hqm h PHE 41 CO 0.52 0.65 0.00 0.66 -2.23 0.00 0.00 178.31 177.91 3hqm h SER 42 N 1.20 0.00 0.27 0.41 4.64 -1.89 -1.93 113.55 116.24 3hqm h SER 42 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3hqm h SER 42 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3hqm h SER 42 CO -0.15 0.00 -0.31 0.49 -0.87 0.00 0.00 176.83 175.99 3hqm n PHE 43 N -2.87 0.00 -1.65 4.77 3.01 -0.27 -4.94 117.46 115.51 3hqm n PHE 43 Ca -0.02 0.00 -0.48 0.00 1.01 0.00 0.00 57.45 57.96 3hqm n PHE 43 Cb 0.10 -0.14 -0.05 0.00 -0.01 0.00 0.00 39.48 39.38 3hqm n PHE 43 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hqm n ARG 45 N 3.42 2.45 -1.72 0.00 1.74 -1.26 -4.98 116.66 116.32 3hqm n ARG 45 Ca 0.18 -2.24 -0.42 0.00 -0.77 0.00 0.00 57.85 54.60 3hqm n ARG 45 Cb 0.25 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.21 3hqm n ARG 45 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3hqm s GLU 46 N -1.24 4.14 0.74 5.56 8.01 -1.26 -4.99 118.70 129.66 3hqm s GLU 46 Ca 0.36 2.57 -0.05 0.00 0.01 0.00 0.00 54.97 57.87 3hqm s GLU 46 Cb 0.20 -3.86 0.11 0.00 -4.31 0.00 0.00 34.13 26.28 3hqm s GLU 46 CO 0.28 -0.89 1.03 -1.21 0.01 0.00 0.00 175.26 174.48 3hqm s GLU 47 N 3.53 1.71 0.06 1.61 0.41 -1.26 -4.39 118.70 120.38 3hqm s GLU 47 Ca 0.84 -0.75 -0.37 0.00 -0.41 0.00 0.00 54.97 54.28 3hqm s GLU 47 Cb -0.44 -2.23 -0.17 0.00 -1.78 0.00 0.00 34.13 29.52 3hqm s GLU 47 CO 0.38 -1.49 1.38 -0.12 -0.49 0.00 0.00 175.26 174.92 3hqm n MET 48 N -2.96 1.18 0.00 1.61 0.00 -1.26 -1.12 117.12 114.57 3hqm n MET 48 Ca 0.13 0.43 0.00 0.00 -0.00 0.00 0.00 57.70 58.25 3hqm n MET 48 Cb 0.60 -2.08 0.00 0.00 0.00 0.00 0.00 33.22 31.74 3hqm n MET 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hqm n GLY 49 N 2.67 2.56 3.82 -5.12 0.00 0.30 -4.96 105.19 104.46 3hqm n GLY 49 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3hqm n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hqm s GLU 50 N -0.55 4.19 0.08 1.61 2.02 -0.28 -4.97 118.70 120.80 3hqm s GLU 50 Ca 0.00 0.93 0.06 0.00 0.02 0.00 0.00 54.97 55.98 3hqm s GLU 50 Cb 0.00 -2.49 -0.03 0.00 0.10 0.00 0.00 34.13 31.71 3hqm s GLU 50 CO 0.00 0.16 -0.16 0.54 0.02 0.00 0.00 175.26 175.82 3hqm s VAL 51 N -1.91 1.25 -0.09 2.63 0.11 -1.26 -4.26 120.40 116.87 3hqm s VAL 51 Ca 0.54 -1.37 0.04 0.00 -2.93 0.00 0.00 61.98 58.26 3hqm s VAL 51 Cb -0.12 -1.19 -0.01 0.00 -1.53 0.00 0.00 36.38 33.53 3hqm s VAL 51 CO 0.18 -0.19 -0.21 -0.63 -3.33 0.00 0.00 175.10 170.91 3hqm s ILE 52 N -1.26 2.35 0.09 7.04 1.01 0.34 -4.97 121.20 125.80 3hqm s ILE 52 Ca 0.00 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.75 3hqm s ILE 52 Cb -0.10 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 3hqm s ILE 52 CO 0.03 0.56 0.10 -1.59 0.00 0.00 0.00 174.94 174.04 3hqm s LYS 53 N 0.13 2.94 0.77 2.79 -2.85 -1.26 -0.54 119.74 121.72 3hqm s LYS 53 Ca -0.11 -0.69 -0.09 0.00 -1.00 0.00 0.00 55.97 54.08 3hqm s LYS 53 Cb -0.16 -2.75 0.09 0.00 -2.06 0.00 0.00 37.83 32.96 3hqm s LYS 53 CO 0.06 0.56 1.10 -1.54 0.10 0.00 0.00 175.35 175.63 3hqm s SER 54 N -2.52 4.42 0.95 0.03 1.04 0.14 -4.99 113.70 112.78 3hqm s SER 54 Ca 0.30 0.41 -0.11 0.00 0.48 0.00 0.00 55.95 57.04 3hqm s SER 54 Cb -0.12 -0.90 0.16 0.00 0.10 0.00 0.00 66.02 65.26 3hqm s SER 54 CO 0.23 -1.88 1.12 -0.44 0.98 0.00 0.00 173.24 173.25 3hqm s SER 55 N -4.61 2.72 0.50 7.02 0.01 -1.26 -4.68 113.70 113.40 3hqm s SER 55 Ca 0.63 1.99 -0.18 0.00 1.31 0.00 0.00 55.95 59.70 3hqm s SER 55 Cb -0.09 -2.49 -0.08 0.00 0.21 0.00 0.00 66.02 63.56 3hqm s SER 55 CO 0.47 -3.19 0.99 0.42 0.41 0.00 0.00 173.24 172.34 3hqm s THR 56 N -2.65 4.32 0.14 1.44 -4.23 -1.26 -4.55 115.64 108.84 3hqm s THR 56 Ca 0.66 1.23 -0.05 0.00 -1.18 0.00 0.00 61.69 62.36 3hqm s THR 56 Cb -0.22 -3.61 -0.02 0.00 1.34 0.00 0.00 72.50 69.98 3hqm s THR 56 CO 0.59 -0.52 0.15 0.72 -0.54 0.00 0.00 174.62 175.02 3hqm s PHE 57 N -2.42 0.61 0.22 3.99 -0.71 0.24 -4.93 117.98 114.98 3hqm s PHE 57 Ca 0.61 -0.99 -0.02 0.00 -1.04 0.00 0.00 56.93 55.49 3hqm s PHE 57 Cb -0.11 -0.28 0.01 0.00 -1.21 0.00 0.00 43.02 41.43 3hqm s PHE 57 CO 0.26 -0.59 0.33 -1.13 -1.34 0.00 0.00 175.22 172.75 3hqm n SER 58 N -0.13 -0.93 0.14 1.98 3.41 -1.26 -0.57 113.62 116.26 3hqm n SER 58 Ca -0.07 -2.15 0.13 0.00 -0.26 0.00 0.00 58.87 56.51 3hqm n SER 58 Cb 0.63 1.70 0.48 0.00 -0.26 0.00 0.00 64.21 66.76 3hqm n SER 58 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hqm h SER 59 N 1.23 0.00 0.00 4.04 4.64 -1.95 -3.46 113.55 118.05 3hqm h SER 59 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3hqm h SER 59 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3hqm h SER 59 CO 0.23 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 3hqm n GLY 60 N 0.39 1.53 0.00 -0.77 0.00 -1.26 -5.03 105.19 100.05 3hqm n GLY 60 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3hqm n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hqm n ASP 63 N 0.00 0.00 0.07 1.61 -0.08 -1.26 -5.03 116.55 111.86 3hqm n ASP 63 Ca 0.00 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.41 3hqm n ASP 63 Cb 0.00 0.00 0.31 0.00 2.34 0.00 0.00 41.12 43.77 3hqm n ASP 63 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3hqm n LYS 64 N 1.66 0.23 -3.52 -0.67 5.02 -1.26 -4.89 118.16 114.73 3hqm n LYS 64 Ca 0.00 0.12 -0.33 0.00 -2.02 0.00 0.00 58.31 56.08 3hqm n LYS 64 Cb 0.00 -1.70 -0.05 0.00 -0.02 0.00 0.00 35.03 33.26 3hqm n LYS 64 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hqm s LEU 65 N -4.13 4.25 -0.05 -0.35 1.43 -1.26 -4.61 118.68 113.97 3hqm s LEU 65 Ca 0.09 0.81 0.03 0.00 -1.03 0.00 0.00 54.13 54.03 3hqm s LEU 65 Cb 0.14 -3.38 0.01 0.00 0.03 0.00 0.00 46.19 42.98 3hqm s LEU 65 CO 0.65 0.03 -0.13 -0.54 0.23 0.00 0.00 176.35 176.60 3hqm s LYS 66 N -2.48 1.56 0.31 1.70 -0.14 -0.44 -4.62 119.74 115.63 3hqm s LYS 66 Ca 0.41 -0.44 0.11 0.00 -1.36 0.00 0.00 55.97 54.69 3hqm s LYS 66 Cb -0.12 -1.33 -0.06 0.00 -1.68 0.00 0.00 37.83 34.63 3hqm s LYS 66 CO 0.21 0.10 -0.15 -1.58 -0.76 0.00 0.00 175.35 173.18 3hqm s TRP 67 N 0.40 2.33 0.19 3.18 0.52 0.27 -0.59 118.94 125.25 3hqm s TRP 67 Ca -0.09 -0.42 -0.09 0.00 0.02 0.00 0.00 56.10 55.52 3hqm s TRP 67 Cb -0.13 -1.18 -0.01 0.00 -1.15 0.00 0.00 33.47 31.00 3hqm s TRP 67 CO 0.03 0.65 0.32 0.00 0.02 0.00 0.00 176.95 177.96 3hqm s LEU 69 N -3.00 4.24 -0.02 0.00 1.43 -1.26 -0.47 118.68 119.60 3hqm s LEU 69 Ca 0.21 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 3hqm s LEU 69 Cb 0.03 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.44 3hqm s LEU 69 CO 0.04 0.06 -0.01 -0.13 0.23 0.00 0.00 176.35 176.54 3hqm s ARG 70 N -3.15 0.35 -0.00 1.70 0.52 -0.19 -0.68 118.95 117.50 3hqm s ARG 70 Ca 0.34 -0.00 0.06 0.00 -0.52 0.00 0.00 55.73 55.61 3hqm s ARG 70 Cb -0.11 -0.46 -0.02 0.00 0.52 0.00 0.00 34.95 34.89 3hqm s ARG 70 CO 0.28 -0.07 -0.19 0.54 0.02 0.00 0.00 175.30 175.88 3hqm s VAL 71 N 0.68 1.52 -0.46 3.52 0.11 0.30 -0.50 120.40 125.56 3hqm s VAL 71 Ca -0.07 -0.89 -0.09 0.00 -2.93 0.00 0.00 61.98 58.01 3hqm s VAL 71 Cb -0.10 -1.28 0.12 0.00 -1.53 0.00 0.00 36.38 33.59 3hqm s VAL 71 CO -0.01 0.37 0.33 0.20 -3.33 0.00 0.00 175.10 172.67 3hqm s ASN 72 N -0.60 5.67 0.52 3.54 -0.87 -0.21 -0.50 114.94 122.49 3hqm s ASN 72 Ca 0.07 -1.91 0.18 0.00 -1.57 0.00 0.00 52.86 49.63 3hqm s ASN 72 Cb -0.08 -2.00 1.29 0.00 -0.02 0.00 0.00 41.25 40.45 3hqm s ASN 72 CO -0.00 -0.68 2.12 -0.65 -2.57 0.00 0.00 177.10 175.32 3hqm h PRO 73 N 8.42 0.00 -0.38 -0.60 0.11 -1.85 -1.80 132.00 135.91 3hqm h PRO 73 Ca -0.21 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.75 3hqm h PRO 73 Cb 1.07 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.09 3hqm h PRO 73 CO 0.85 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.27 3hqm n LYS 74 N -4.51 2.19 -0.01 1.05 5.02 -1.26 -4.31 118.16 116.33 3hqm n LYS 74 Ca -0.01 -3.07 0.00 0.00 -2.02 0.00 0.00 58.31 53.21 3hqm n LYS 74 Cb 0.18 -1.86 -0.00 0.00 -0.02 0.00 0.00 35.03 33.33 3hqm n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hqm n GLY 75 N -0.95 -2.51 0.18 0.72 0.00 -0.60 -4.21 105.19 97.83 3hqm n GLY 75 Ca 0.32 -1.46 -0.17 0.00 0.00 0.00 0.00 46.02 44.71 3hqm n GLY 75 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hqm h LEU 76 N -0.01 0.75 0.00 0.99 5.85 -1.83 0.88 115.31 121.94 3hqm h LEU 76 Ca -0.00 -0.59 -0.11 0.00 0.84 0.00 0.00 57.88 58.02 3hqm h LEU 76 Cb 0.01 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3hqm h LEU 76 CO 0.00 1.38 0.06 -0.90 -0.34 0.00 0.00 178.44 178.65 3hqm n ASP 77 N -3.82 -1.42 -0.36 1.25 5.68 -1.26 -3.39 116.55 113.22 3hqm n ASP 77 Ca -0.09 -2.31 0.03 0.00 -0.50 0.00 0.00 54.79 51.92 3hqm n ASP 77 Cb 0.85 2.46 0.18 0.00 -1.14 0.00 0.00 41.12 43.47 3hqm n ASP 77 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3hqm h GLU 78 N 0.00 1.08 0.00 0.11 4.57 -1.95 -1.14 114.58 117.25 3hqm h GLU 78 Ca -0.23 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 57.85 3hqm h GLU 78 Cb 0.92 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 29.26 3hqm h GLU 78 CO 0.30 0.71 -0.13 0.93 -1.18 0.00 0.00 179.01 179.64 3hqm h GLU 79 N 1.11 0.00 -0.08 1.92 3.07 -2.01 -3.04 114.58 115.56 3hqm h GLU 79 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3hqm h GLU 79 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 3hqm h GLU 79 CO -0.19 0.13 0.00 -1.13 -1.40 0.00 0.00 179.01 176.42 3hqm n SER 80 N -3.95 2.72 0.17 1.42 3.41 -0.62 -4.74 113.62 112.04 3hqm n SER 80 Ca -0.02 -2.91 0.13 0.00 -0.26 0.00 0.00 58.87 55.81 3hqm n SER 80 Cb 0.22 -0.40 0.59 0.00 -0.26 0.00 0.00 64.21 64.36 3hqm n SER 80 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3hqm h LYS 81 N 0.53 0.00 -0.02 4.33 2.10 -1.13 -0.88 116.57 121.50 3hqm h LYS 81 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hqm h LYS 81 Cb 1.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 3hqm h LYS 81 CO 0.06 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.26 3hqm n ASP 82 N -2.40 1.38 -4.30 7.07 8.00 -1.26 -4.63 116.55 120.40 3hqm n ASP 82 Ca 0.01 -1.47 -0.17 0.00 0.71 0.00 0.00 54.79 53.87 3hqm n ASP 82 Cb 0.17 -0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.17 3hqm n ASP 82 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hqm s TYR 83 N -1.99 1.50 0.08 1.24 2.02 -0.34 -0.69 117.35 119.17 3hqm s TYR 83 Ca 0.38 -0.65 -0.27 0.00 -0.37 0.00 0.00 57.07 56.16 3hqm s TYR 83 Cb 0.21 -0.73 -0.06 0.00 -0.40 0.00 0.00 41.96 40.99 3hqm s TYR 83 CO 0.33 0.22 0.85 -1.17 -1.57 0.00 0.00 175.55 174.22 3hqm s LEU 84 N -3.19 4.48 -0.12 -1.29 0.20 -0.27 -1.55 118.68 116.94 3hqm s LEU 84 Ca 0.19 1.61 -0.04 0.00 0.69 0.00 0.00 54.13 56.58 3hqm s LEU 84 Cb 0.00 -3.39 -0.04 0.00 -0.43 0.00 0.00 46.19 42.33 3hqm s LEU 84 CO 0.04 -0.01 0.04 -0.44 -0.29 0.00 0.00 176.35 175.69 3hqm s SER 85 N -0.11 5.52 -0.03 3.68 0.01 -0.82 -1.30 113.70 120.65 3hqm s SER 85 Ca 0.42 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.86 3hqm s SER 85 Cb -0.22 -1.72 0.03 0.00 0.21 0.00 0.00 66.02 64.32 3hqm s SER 85 CO 0.26 0.33 0.01 -0.22 0.41 0.00 0.00 173.24 174.03 3hqm s LEU 86 N -0.57 1.13 0.05 2.44 2.96 -0.38 -1.05 118.68 123.27 3hqm s LEU 86 Ca 0.10 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 3hqm s LEU 86 Cb -0.12 -0.20 -0.03 0.00 0.50 0.00 0.00 46.19 46.35 3hqm s LEU 86 CO 0.02 -0.11 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.54 3hqm s TYR 87 N 1.05 0.81 -0.23 5.38 2.02 0.34 -0.76 117.35 125.96 3hqm s TYR 87 Ca -0.09 -0.52 -0.10 0.00 -0.37 0.00 0.00 57.07 55.98 3hqm s TYR 87 Cb -0.13 -0.47 -0.05 0.00 -0.40 0.00 0.00 41.96 40.91 3hqm s TYR 87 CO -0.02 -0.06 0.14 -1.17 -1.57 0.00 0.00 175.55 172.88 3hqm s LEU 88 N -1.74 4.06 -0.14 -1.29 2.96 0.41 -1.02 118.68 121.92 3hqm s LEU 88 Ca -0.06 0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3hqm s LEU 88 Cb -0.09 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 3hqm s LEU 88 CO 0.00 0.08 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.81 3hqm s LEU 89 N 0.96 2.96 -0.51 -0.68 2.96 0.38 -1.35 118.68 123.41 3hqm s LEU 89 Ca 0.07 -0.23 -0.24 0.00 -0.22 0.00 0.00 54.13 53.50 3hqm s LEU 89 Cb -0.13 -1.69 0.04 0.00 0.50 0.00 0.00 46.19 44.90 3hqm s LEU 89 CO 0.04 0.17 0.91 -0.22 -1.32 0.00 0.00 176.35 175.93 3hqm s LEU 90 N 0.35 4.11 -0.12 -0.68 2.96 -0.55 -1.16 118.68 123.59 3hqm s LEU 90 Ca -0.08 -0.20 -0.24 0.00 -0.22 0.00 0.00 54.13 53.39 3hqm s LEU 90 Cb -0.15 -2.94 -0.27 0.00 0.50 0.00 0.00 46.19 43.33 3hqm s LEU 90 CO 0.04 -1.13 0.70 0.58 -1.32 0.00 0.00 176.35 175.23 3hqm h VAL 91 N 6.03 1.50 -3.47 1.68 2.07 -1.17 0.39 116.25 123.28 3hqm h VAL 91 Ca -0.25 -2.39 -0.30 0.00 0.82 0.00 0.00 66.70 64.58 3hqm h VAL 91 Cb 1.08 3.10 -0.34 0.00 -1.52 0.00 0.00 31.29 33.60 3hqm h VAL 91 CO 1.05 0.62 -0.71 -0.55 0.02 0.00 0.00 177.57 178.00 3hqm s SER 92 N -6.64 0.09 -0.24 0.57 0.15 -1.00 -4.28 113.70 102.35 3hqm s SER 92 Ca -0.19 0.08 -0.05 0.00 0.70 0.00 0.00 55.95 56.49 3hqm s SER 92 Cb 0.00 -0.04 0.12 0.00 -1.71 0.00 0.00 66.02 64.40 3hqm s SER 92 CO 0.73 -0.14 0.45 0.00 1.20 0.00 0.00 173.24 175.48 3hqm n PRO 94 N 5.39 0.81 -0.01 0.00 -0.04 -1.26 -4.74 135.00 135.15 3hqm n PRO 94 Ca -0.06 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.45 3hqm n PRO 94 Cb 0.50 -1.10 -0.09 0.00 -0.04 0.00 0.00 33.50 32.78 3hqm n PRO 94 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3hqm n SER 96 N 1.24 2.48 -3.50 3.54 7.64 -1.26 -5.09 113.62 118.67 3hqm n SER 96 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 3hqm n SER 96 Cb 0.40 1.44 -0.04 0.00 -1.01 0.00 0.00 64.21 65.00 3hqm n SER 96 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3hqm s GLU 97 N -2.72 1.14 0.05 1.43 -1.05 -1.26 -4.66 118.70 111.63 3hqm s GLU 97 Ca -0.04 -0.25 0.01 0.00 -0.15 0.00 0.00 54.97 54.54 3hqm s GLU 97 Cb 0.07 0.53 -0.03 0.00 -0.44 0.00 0.00 34.13 34.25 3hqm s GLU 97 CO 0.46 -0.44 -0.05 0.14 0.95 0.00 0.00 175.26 176.31 3hqm s VAL 98 N -2.79 0.39 -0.13 1.83 -7.23 -0.28 -4.99 120.40 107.19 3hqm s VAL 98 Ca -0.03 -1.32 -0.04 0.00 -1.81 0.00 0.00 61.98 58.78 3hqm s VAL 98 Cb -0.00 -0.87 -0.03 0.00 0.56 0.00 0.00 36.38 36.03 3hqm s VAL 98 CO -0.04 -0.62 0.02 -0.13 -0.31 0.00 0.00 175.10 174.02 3hqm s ARG 99 N -2.38 3.41 -0.12 4.82 0.52 -1.26 -0.03 118.95 123.90 3hqm s ARG 99 Ca -0.05 -0.39 -0.10 0.00 -0.52 0.00 0.00 55.73 54.68 3hqm s ARG 99 Cb -0.04 -2.96 0.04 0.00 0.52 0.00 0.00 34.95 32.51 3hqm s ARG 99 CO -0.03 0.51 0.32 0.00 0.02 0.00 0.00 175.30 176.12 3hqm s ALA 100 N -0.34 -0.78 0.25 2.13 0.00 -0.59 -0.38 121.76 122.04 3hqm s ALA 100 Ca 0.08 0.98 -0.09 0.00 0.00 0.00 0.00 51.96 52.93 3hqm s ALA 100 Cb -0.12 -0.59 -0.07 0.00 0.00 0.00 0.00 23.12 22.35 3hqm s ALA 100 CO 0.02 -0.17 0.56 0.15 0.00 0.00 0.00 175.76 176.31 3hqm s LYS 101 N 0.49 3.77 0.06 0.00 1.02 -0.17 -0.85 119.74 124.06 3hqm s LYS 101 Ca -0.03 0.23 -0.09 0.00 0.02 0.00 0.00 55.97 56.10 3hqm s LYS 101 Cb -0.04 -2.64 -0.00 0.00 -0.52 0.00 0.00 37.83 34.63 3hqm s LYS 101 CO -0.03 0.29 0.18 -0.59 -0.92 0.00 0.00 175.35 174.28 3hqm s PHE 102 N -1.89 0.13 -0.06 3.18 -0.71 -1.26 -0.70 117.98 116.67 3hqm s PHE 102 Ca 0.47 -0.47 -0.03 0.00 -1.04 0.00 0.00 56.93 55.86 3hqm s PHE 102 Cb -0.11 -0.06 0.03 0.00 -1.21 0.00 0.00 43.02 41.67 3hqm s PHE 102 CO 0.23 -0.48 0.13 0.21 -1.34 0.00 0.00 175.22 173.97 3hqm s LYS 103 N -3.28 0.10 0.04 1.99 2.20 -0.12 -0.88 119.74 119.80 3hqm s LYS 103 Ca 0.00 0.31 0.08 0.00 -0.36 0.00 0.00 55.97 56.00 3hqm s LYS 103 Cb 0.02 -0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 36.19 3hqm s LYS 103 CO -0.08 -0.13 -0.22 -0.06 -0.36 0.00 0.00 175.35 174.51 3hqm s PHE 104 N 0.88 2.45 0.21 4.03 0.08 -0.08 -0.98 117.98 124.58 3hqm s PHE 104 Ca -0.07 -0.33 -0.07 0.00 0.12 0.00 0.00 56.93 56.58 3hqm s PHE 104 Cb -0.09 -1.43 -0.02 0.00 -0.57 0.00 0.00 43.02 40.91 3hqm s PHE 104 CO -0.04 0.19 0.30 -1.54 -0.10 0.00 0.00 175.22 174.03 3hqm s SER 105 N -1.33 0.04 -0.12 1.36 1.04 -0.07 -0.76 113.70 113.86 3hqm s SER 105 Ca 0.13 -1.12 -0.02 0.00 0.48 0.00 0.00 55.95 55.42 3hqm s SER 105 Cb -0.10 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 3hqm s SER 105 CO 0.04 -0.97 -0.03 -0.63 0.98 0.00 0.00 173.24 172.63 3hqm s ILE 106 N -4.07 4.02 -0.09 -1.02 1.01 -0.29 -0.75 121.20 120.01 3hqm s ILE 106 Ca 0.29 -0.34 -0.19 0.00 0.00 0.00 0.00 60.65 60.41 3hqm s ILE 106 Cb 0.03 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 3hqm s ILE 106 CO 0.09 0.55 0.52 -0.76 0.00 0.00 0.00 174.94 175.33 3hqm s LEU 107 N -0.25 4.31 0.00 2.97 1.43 -0.17 -0.34 118.68 126.63 3hqm s LEU 107 Ca 0.05 0.92 -0.10 0.00 -1.03 0.00 0.00 54.13 53.96 3hqm s LEU 107 Cb -0.13 -2.77 0.15 0.00 0.03 0.00 0.00 46.19 43.48 3hqm s LEU 107 CO 0.02 0.02 0.90 -0.46 0.23 0.00 0.00 176.35 177.07 3hqm n ASN 108 N 3.45 0.16 0.26 2.29 0.23 -0.17 -4.58 115.26 116.90 3hqm n ASN 108 Ca -0.07 -1.38 0.09 0.00 -0.53 0.00 0.00 54.58 52.69 3hqm n ASN 108 Cb 0.52 -0.68 0.68 0.00 -2.08 0.00 0.00 39.78 38.21 3hqm n ASN 108 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hqm h ALA 109 N -1.72 1.92 -0.02 -2.53 0.00 -1.90 0.82 119.26 115.81 3hqm h ALA 109 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3hqm h ALA 109 Cb 0.83 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3hqm h ALA 109 CO 0.22 0.01 0.00 1.63 0.00 0.00 0.00 179.25 181.11 3hqm n LYS 110 N -4.43 1.17 -0.99 0.00 5.02 -1.26 -4.91 118.16 112.77 3hqm n LYS 110 Ca -0.03 -0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 3hqm n LYS 110 Cb 0.10 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 3hqm n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hqm n GLY 111 N 0.95 0.64 3.77 0.72 0.00 0.28 -5.03 105.19 106.52 3hqm n GLY 111 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3hqm n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hqm s GLU 112 N -0.01 4.67 0.25 1.61 2.02 -1.26 -4.71 118.70 121.26 3hqm s GLU 112 Ca 0.00 1.33 -0.30 0.00 0.02 0.00 0.00 54.97 56.03 3hqm s GLU 112 Cb 0.00 -3.08 -0.09 0.00 0.10 0.00 0.00 34.13 31.06 3hqm s GLU 112 CO 0.00 0.44 1.23 -1.21 0.02 0.00 0.00 175.26 175.73 3hqm s GLU 113 N -1.53 4.47 0.04 1.61 2.02 -1.26 -1.00 118.70 123.05 3hqm s GLU 113 Ca 0.43 1.98 -0.04 0.00 0.02 0.00 0.00 54.97 57.37 3hqm s GLU 113 Cb -0.22 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 30.81 3hqm s GLU 113 CO 0.27 -0.07 0.05 0.95 0.02 0.00 0.00 175.26 176.48 3hqm s THR 114 N -0.56 0.16 -1.39 3.63 -4.23 0.54 -4.92 115.64 108.86 3hqm s THR 114 Ca 0.51 -1.29 -0.04 0.00 -1.18 0.00 0.00 61.69 59.69 3hqm s THR 114 Cb -0.35 -1.02 0.03 0.00 1.34 0.00 0.00 72.50 72.49 3hqm s THR 114 CO 0.42 -0.71 0.73 0.29 -0.54 0.00 0.00 174.62 174.81 3hqm n LYS 115 N 0.63 -4.79 -2.63 3.99 4.76 -1.26 -1.14 118.16 117.71 3hqm n LYS 115 Ca -0.18 0.58 -0.36 0.00 -2.87 0.00 0.00 58.31 55.48 3hqm n LYS 115 Cb 0.59 -5.16 -0.05 0.00 -1.84 0.00 0.00 35.03 28.57 3hqm n LYS 115 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hqm s ALA 116 N -3.61 3.08 -0.03 7.82 0.00 -1.26 -4.42 121.76 123.35 3hqm s ALA 116 Ca 0.20 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.80 3hqm s ALA 116 Cb -0.10 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3hqm s ALA 116 CO 0.83 -0.09 -0.09 -1.64 0.00 0.00 0.00 175.76 174.76 3hqm s MET 117 N -2.57 0.98 -0.02 0.00 -1.94 0.06 -5.00 119.30 110.81 3hqm s MET 117 Ca 0.58 -0.32 0.04 0.00 -1.71 0.00 0.00 55.69 54.28 3hqm s MET 117 Cb -0.19 -0.92 -0.01 0.00 2.01 0.00 0.00 34.83 35.73 3hqm s MET 117 CO 0.24 0.13 -0.13 -2.00 -0.01 0.00 0.00 175.02 173.24 3hqm s GLU 118 N 0.16 1.18 0.23 2.03 2.12 -1.26 -0.90 118.70 122.26 3hqm s GLU 118 Ca -0.03 -0.47 -0.31 0.00 0.36 0.00 0.00 54.97 54.52 3hqm s GLU 118 Cb -0.08 -1.11 -0.11 0.00 0.26 0.00 0.00 34.13 33.09 3hqm s GLU 118 CO 0.00 0.25 1.55 -1.54 -0.54 0.00 0.00 175.26 174.99 3hqm s SER 119 N -0.17 6.52 0.55 -1.70 1.04 -0.05 -4.89 113.70 115.01 3hqm s SER 119 Ca 0.02 2.75 0.34 0.00 0.48 0.00 0.00 55.95 59.54 3hqm s SER 119 Cb -0.07 -2.61 1.39 0.00 0.10 0.00 0.00 66.02 64.83 3hqm s SER 119 CO 0.00 -0.83 1.99 -0.61 0.98 0.00 0.00 173.24 174.78 3hqm h GLN 120 N 5.74 0.00 -4.20 4.02 -0.00 -1.99 -3.44 115.11 115.24 3hqm h GLN 120 Ca -0.45 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 57.99 3hqm h GLN 120 Cb 1.21 0.00 -0.11 0.00 0.00 0.00 0.00 27.48 28.58 3hqm h GLN 120 CO 0.85 0.00 -0.34 -0.98 0.00 0.00 0.00 178.83 178.36 3hqm s ARG 121 N -3.68 1.54 0.39 1.69 1.70 -1.26 -5.15 118.95 114.18 3hqm s ARG 121 Ca 0.01 -1.58 -0.25 0.00 -0.47 0.00 0.00 55.73 53.44 3hqm s ARG 121 Cb 0.09 0.38 -0.09 0.00 -0.57 0.00 0.00 34.95 34.76 3hqm s ARG 121 CO 0.54 -0.60 1.05 0.00 -1.08 0.00 0.00 175.30 175.22 3hqm s ALA 122 N -3.77 3.12 0.14 7.88 0.00 -1.26 -4.59 121.76 123.29 3hqm s ALA 122 Ca 0.32 0.72 0.07 0.00 0.00 0.00 0.00 51.96 53.07 3hqm s ALA 122 Cb 0.02 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3hqm s ALA 122 CO 0.15 -0.20 -0.07 0.71 0.00 0.00 0.00 175.76 176.34 3hqm s TYR 123 N -1.61 2.75 -0.33 0.00 2.02 -0.03 -4.81 117.35 115.35 3hqm s TYR 123 Ca 0.56 -0.16 -0.25 0.00 -0.37 0.00 0.00 57.07 56.85 3hqm s TYR 123 Cb -0.23 -1.38 0.01 0.00 -0.40 0.00 0.00 41.96 39.95 3hqm s TYR 123 CO 0.29 0.48 0.87 0.50 -1.57 0.00 0.00 175.55 176.12 3hqm s ARG 124 N -2.56 3.93 -0.00 -0.62 3.52 -1.26 -1.55 118.95 120.40 3hqm s ARG 124 Ca 0.24 0.65 -0.01 0.00 -0.13 0.00 0.00 55.73 56.48 3hqm s ARG 124 Cb -0.10 -3.76 -0.04 0.00 -1.56 0.00 0.00 34.95 29.49 3hqm s ARG 124 CO 0.16 -0.80 0.11 -0.06 -0.81 0.00 0.00 175.30 173.89 3hqm s PHE 125 N 3.22 3.35 0.31 5.12 0.08 0.95 -4.97 117.98 126.05 3hqm s PHE 125 Ca 0.36 0.24 0.06 0.00 0.12 0.00 0.00 56.93 57.72 3hqm s PHE 125 Cb -0.13 -1.76 -0.06 0.00 -0.57 0.00 0.00 43.02 40.50 3hqm s PHE 125 CO 0.15 0.58 -0.03 0.14 -0.10 0.00 0.00 175.22 175.96 3hqm s VAL 126 N -1.23 1.62 -0.04 -0.44 -7.23 -1.26 -1.13 120.40 110.69 3hqm s VAL 126 Ca 0.24 -2.09 -0.35 0.00 -1.81 0.00 0.00 61.98 57.97 3hqm s VAL 126 Cb -0.12 -2.61 -0.13 0.00 0.56 0.00 0.00 36.38 34.08 3hqm s VAL 126 CO 0.15 -0.19 1.74 1.67 -0.31 0.00 0.00 175.10 178.17 3hqm n GLN 127 N -0.67 1.94 -0.41 4.82 7.27 -1.26 -1.43 117.38 127.65 3hqm n GLN 127 Ca -0.05 0.71 0.00 0.00 0.07 0.00 0.00 57.00 57.73 3hqm n GLN 127 Cb 0.65 -2.50 0.00 0.00 2.41 0.00 0.00 30.24 30.80 3hqm n GLN 127 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hqm n GLY 128 N 3.98 0.71 3.80 1.69 0.00 0.14 -5.03 105.19 110.47 3hqm n GLY 128 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 3hqm n GLY 128 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hqm s LYS 129 N -0.59 3.93 0.21 1.61 2.47 -0.51 -4.90 119.74 121.96 3hqm s LYS 129 Ca 0.00 0.03 0.09 0.00 -1.56 0.00 0.00 55.97 54.54 3hqm s LYS 129 Cb 0.00 -3.31 -0.04 0.00 -1.46 0.00 0.00 37.83 33.01 3hqm s LYS 129 CO 0.00 0.50 -0.08 0.16 0.16 0.00 0.00 175.35 176.09 3hqm s ASP 130 N -0.30 4.28 0.03 1.43 1.47 -1.26 -1.48 116.67 120.83 3hqm s ASP 130 Ca 0.16 -0.63 0.01 0.00 1.18 0.00 0.00 52.55 53.27 3hqm s ASP 130 Cb -0.13 -0.72 -0.02 0.00 -0.34 0.00 0.00 42.92 41.71 3hqm s ASP 130 CO 0.05 0.07 -0.05 0.26 0.68 0.00 0.00 175.17 176.18 3hqm s TRP 131 N -1.94 0.41 -0.48 2.11 0.52 -0.45 -4.97 118.94 114.14 3hqm s TRP 131 Ca 0.27 -0.48 0.00 0.00 0.02 0.00 0.00 56.10 55.91 3hqm s TRP 131 Cb -0.08 -0.26 0.00 0.00 -1.15 0.00 0.00 33.47 31.98 3hqm s TRP 131 CO 0.16 -0.14 0.00 0.41 0.02 0.00 0.00 176.95 177.41 3hqm n GLY 132 N 1.66 -0.66 3.08 0.98 0.00 -1.26 -0.45 105.19 108.54 3hqm n GLY 132 Ca -0.23 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 3hqm n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hqm s PHE 133 N -3.45 3.24 0.40 1.61 0.08 0.06 -4.99 117.98 114.94 3hqm s PHE 133 Ca 0.00 -2.28 0.13 0.00 0.12 0.00 0.00 56.93 54.91 3hqm s PHE 133 Cb 0.00 -1.93 0.84 0.00 -0.57 0.00 0.00 43.02 41.36 3hqm s PHE 133 CO 0.00 -0.87 1.90 -0.22 -0.10 0.00 0.00 175.22 175.92 3hqm h LYS 134 N 7.79 0.00 -2.26 0.44 3.64 -1.89 -0.99 116.57 123.30 3hqm h LYS 134 Ca -0.21 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.56 3hqm h LYS 134 Cb 1.05 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.46 3hqm h LYS 134 CO 0.47 0.29 -0.47 1.63 -2.27 0.00 0.00 179.45 179.10 3hqm n LYS 135 N -4.20 2.87 -0.03 1.90 5.02 -1.26 -3.82 118.16 118.63 3hqm n LYS 135 Ca -0.02 -4.71 -0.14 0.00 -2.02 0.00 0.00 58.31 51.42 3hqm n LYS 135 Cb 0.34 -2.28 -0.11 0.00 -0.02 0.00 0.00 35.03 32.96 3hqm n LYS 135 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3hqm h PHE 136 N 4.03 0.16 -2.83 2.13 3.57 -1.20 -3.46 116.94 119.34 3hqm h PHE 136 Ca 0.19 -0.08 -0.13 0.00 3.53 0.00 0.00 57.97 61.48 3hqm h PHE 136 Cb 0.62 -0.02 -0.24 0.00 2.79 0.00 0.00 35.95 39.09 3hqm h PHE 136 CO 0.78 0.82 -0.28 -1.50 -2.23 0.00 0.00 178.31 175.89 3hqm s ILE 137 N -3.36 -0.00 0.13 1.41 1.10 -1.21 -5.01 121.20 114.26 3hqm s ILE 137 Ca -0.16 0.00 -0.31 0.00 -0.51 0.00 0.00 60.65 59.67 3hqm s ILE 137 Cb 0.01 -0.52 -0.09 0.00 0.15 0.00 0.00 42.46 42.00 3hqm s ILE 137 CO 0.72 0.00 1.58 -0.60 -2.11 0.00 0.00 174.94 174.53 3hqm s ARG 138 N 0.24 4.22 0.25 3.50 3.52 -1.26 -1.12 118.95 128.30 3hqm s ARG 138 Ca -0.00 2.32 -0.05 0.00 -0.13 0.00 0.00 55.73 57.87 3hqm s ARG 138 Cb -0.03 -3.32 0.31 0.00 -1.56 0.00 0.00 34.95 30.35 3hqm s ARG 138 CO 0.00 -0.64 1.91 0.00 -0.81 0.00 0.00 175.30 175.77 3hqm h ARG 139 N 7.33 1.26 0.00 5.12 3.08 -1.22 -1.40 114.38 128.54 3hqm h ARG 139 Ca -0.42 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 3hqm h ARG 139 Cb 1.20 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 3hqm h ARG 139 CO 0.92 0.83 -0.02 0.78 -1.07 0.00 0.00 179.97 181.40 3hqm h GLY 140 N 1.29 0.00 0.00 0.04 0.00 -1.91 -0.25 103.07 102.25 3hqm h GLY 140 Ca 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.65 3hqm h GLY 140 CO -0.11 0.00 -0.46 -2.75 0.00 0.00 0.00 176.54 173.22 3hqm h PHE 141 N 0.00 0.00 -0.82 5.60 3.57 -1.72 -3.33 116.94 120.25 3hqm h PHE 141 Ca -0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3hqm h PHE 141 Cb 0.08 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 3hqm h PHE 141 CO 0.00 0.72 0.49 1.25 -2.23 0.00 0.00 178.31 178.54 3hqm h LEU 142 N -1.00 0.98 -0.04 0.59 5.85 -1.13 -2.66 115.31 117.90 3hqm h LEU 142 Ca -0.10 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3hqm h LEU 142 Cb 0.77 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3hqm h LEU 142 CO -0.06 0.76 -0.02 0.18 -0.34 0.00 0.00 178.44 178.96 3hqm n LEU 143 N -4.45 0.09 -4.63 2.25 4.77 -0.12 -4.64 117.00 110.27 3hqm n LEU 143 Ca 0.08 0.19 -0.41 0.00 -0.03 0.00 0.00 56.01 55.84 3hqm n LEU 143 Cb 0.06 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 3hqm n LEU 143 CO 0.37 0.02 0.58 -0.62 -1.33 0.00 0.00 177.39 176.41 3hqm s ASP 144 N -2.47 6.74 0.53 -1.43 -1.08 -1.00 -4.93 116.67 113.03 3hqm s ASP 144 Ca 0.31 0.89 0.25 0.00 -0.52 0.00 0.00 52.55 53.48 3hqm s ASP 144 Cb 0.20 -2.41 1.40 0.00 -1.46 0.00 0.00 42.92 40.66 3hqm s ASP 144 CO 0.45 -0.50 2.01 1.05 0.52 0.00 0.00 175.17 178.70 3hqm h GLU 145 N 7.81 0.00 0.00 4.34 -0.00 -1.88 -2.06 114.58 122.80 3hqm h GLU 145 Ca -0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.11 3hqm h GLU 145 Cb 1.10 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.85 3hqm h GLU 145 CO 0.85 0.00 -0.06 0.00 -0.00 0.00 0.00 179.01 179.80 3hqm h ALA 146 N 1.75 1.64 0.00 1.06 0.00 -1.94 -2.06 119.26 119.71 3hqm h ALA 146 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hqm h ALA 146 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3hqm h ALA 146 CO -0.00 0.08 0.00 -0.91 0.00 0.00 0.00 179.25 178.42 3hqm h ASN 147 N 0.00 0.00 -0.82 0.00 -0.26 -1.68 -3.47 115.58 109.35 3hqm h ASN 147 Ca -0.00 0.00 -0.28 0.00 -0.56 0.00 0.00 56.30 55.46 3hqm h ASN 147 Cb 0.14 0.00 -0.10 0.00 -1.06 0.00 0.00 38.32 37.30 3hqm h ASN 147 CO 0.01 0.00 -0.27 0.61 -1.06 0.00 0.00 177.43 176.72 3hqm n GLY 148 N 1.25 1.23 0.52 2.83 0.00 -0.78 -4.89 105.19 105.35 3hqm n GLY 148 Ca 0.05 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.84 3hqm n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hqm n LEU 149 N -1.62 1.61 -2.97 0.99 4.77 -1.26 -4.15 117.00 114.37 3hqm n LEU 149 Ca -0.14 -0.56 -0.26 0.00 -0.03 0.00 0.00 56.01 55.01 3hqm n LEU 149 Cb 0.47 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 3hqm n LEU 149 CO 0.21 0.28 0.11 0.18 -1.33 0.00 0.00 177.39 176.84 3hqm n LEU 150 N 0.26 4.13 -4.74 2.23 4.77 -1.26 -4.63 117.00 117.76 3hqm n LEU 150 Ca 0.18 -5.62 -0.41 0.00 -0.03 0.00 0.00 56.01 50.13 3hqm n LEU 150 Cb 0.36 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3hqm n LEU 150 CO 0.16 2.35 1.05 -2.16 -1.33 0.00 0.00 177.39 177.45 3hqm s PRO 151 N -3.37 4.33 -1.81 3.23 0.04 -1.25 -1.26 135.00 134.91 3hqm s PRO 151 Ca 0.48 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.71 3hqm s PRO 151 Cb 0.29 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.68 3hqm s PRO 151 CO -0.13 -0.33 0.00 -0.25 0.04 0.00 0.00 177.00 176.33 3hqm n ASP 152 N 2.35 -5.37 -2.91 6.66 8.00 -1.26 -1.75 116.55 122.26 3hqm n ASP 152 Ca 0.06 0.20 -0.22 0.00 0.71 0.00 0.00 54.79 55.54 3hqm n ASP 152 Cb 0.41 -4.60 0.03 0.00 -0.02 0.00 0.00 41.12 36.95 3hqm n ASP 152 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3hqm n ASP 153 N -1.67 -6.11 -4.37 -2.24 2.03 -0.39 -4.68 116.55 99.11 3hqm n ASP 153 Ca -0.22 -0.25 -0.33 0.00 0.52 0.00 0.00 54.79 54.52 3hqm n ASP 153 Cb 0.66 -4.95 -0.14 0.00 -0.72 0.00 0.00 41.12 35.96 3hqm n ASP 153 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3hqm s LYS 154 N -5.60 3.21 -0.26 -0.67 1.02 -0.72 -1.06 119.74 115.66 3hqm s LYS 154 Ca 0.26 -0.71 -0.12 0.00 0.02 0.00 0.00 55.97 55.42 3hqm s LYS 154 Cb -0.11 -2.56 -0.05 0.00 -0.52 0.00 0.00 37.83 34.59 3hqm s LYS 154 CO 0.32 0.28 0.23 -1.17 -0.92 0.00 0.00 175.35 174.09 3hqm s LEU 155 N 0.18 4.07 -0.26 3.17 2.96 -0.50 -3.77 118.68 124.53 3hqm s LEU 155 Ca -0.08 0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.93 3hqm s LEU 155 Cb -0.15 -2.20 0.02 0.00 0.50 0.00 0.00 46.19 44.36 3hqm s LEU 155 CO 0.05 -0.04 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.13 3hqm s THR 156 N 1.53 3.17 0.05 3.68 2.01 -1.26 -0.08 115.64 124.74 3hqm s THR 156 Ca 0.10 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.18 3hqm s THR 156 Cb -0.15 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 3hqm s THR 156 CO 0.08 0.16 0.06 -0.76 -0.69 0.00 0.00 174.62 173.48 3hqm s LEU 157 N 1.37 3.75 -0.07 4.42 1.43 0.42 -1.00 118.68 129.00 3hqm s LEU 157 Ca 0.01 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3hqm s LEU 157 Cb -0.17 -2.34 0.02 0.00 0.03 0.00 0.00 46.19 43.73 3hqm s LEU 157 CO -0.03 0.21 -0.09 0.12 0.23 0.00 0.00 176.35 176.80 3hqm s PHE 158 N -1.29 1.30 -0.10 0.29 5.36 0.07 -0.17 117.98 123.44 3hqm s PHE 158 Ca 0.26 -0.52 0.03 0.00 -0.96 0.00 0.00 56.93 55.75 3hqm s PHE 158 Cb -0.12 -1.03 -0.01 0.00 -0.34 0.00 0.00 43.02 41.53 3hqm s PHE 158 CO 0.18 -0.33 -0.22 0.00 -1.46 0.00 0.00 175.22 173.39 3hqm s GLU 160 N 0.24 2.79 -0.04 0.00 2.02 -0.16 -0.89 118.70 122.67 3hqm s GLU 160 Ca -0.14 -0.76 0.04 0.00 0.02 0.00 0.00 54.97 54.13 3hqm s GLU 160 Cb -0.17 -2.38 -0.00 0.00 0.10 0.00 0.00 34.13 31.68 3hqm s GLU 160 CO 0.07 0.42 -0.16 0.08 0.02 0.00 0.00 175.26 175.69 3hqm s VAL 161 N -0.21 1.31 -0.24 2.63 1.01 0.21 -0.94 120.40 124.16 3hqm s VAL 161 Ca -0.00 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3hqm s VAL 161 Cb -0.13 -1.12 0.05 0.00 0.00 0.00 0.00 36.38 35.18 3hqm s VAL 161 CO 0.03 0.38 -0.12 -0.44 0.00 0.00 0.00 175.10 174.96 3hqm s SER 162 N 0.01 4.05 -0.13 3.32 0.01 0.12 -1.23 113.70 119.85 3hqm s SER 162 Ca -0.02 -1.20 -0.18 0.00 1.31 0.00 0.00 55.95 55.86 3hqm s SER 162 Cb -0.10 -1.45 -0.04 0.00 0.21 0.00 0.00 66.02 64.63 3hqm s SER 162 CO 0.01 -0.16 0.49 -0.69 0.41 0.00 0.00 173.24 173.30 3hqm s VAL 163 N 1.20 5.18 -0.21 3.43 1.01 -0.09 -1.00 120.40 129.92 3hqm s VAL 163 Ca -0.06 0.97 -0.25 0.00 0.00 0.00 0.00 61.98 62.65 3hqm s VAL 163 Cb -0.18 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 3hqm s VAL 163 CO -0.07 0.31 0.83 -0.69 0.00 0.00 0.00 175.10 175.48 3hqm s VAL 164 N 0.74 4.86 -0.67 2.92 1.01 0.49 -1.37 120.40 128.37 3hqm s VAL 164 Ca 0.26 1.60 0.05 0.00 0.00 0.00 0.00 61.98 63.89 3hqm s VAL 164 Cb -0.15 -4.13 0.04 0.00 0.00 0.00 0.00 36.38 32.15 3hqm s VAL 164 CO 0.10 -0.02 0.67 0.00 0.00 0.00 0.00 175.10 175.85