#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqh s VAL 29 N 0.00 1.62 -0.26 0.00 1.01 -1.26 0.26 120.40 121.76 3hqh s VAL 29 Ca 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 3hqh s VAL 29 Cb 0.00 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 35.05 3hqh s VAL 29 CO 0.00 0.36 -0.05 -0.69 0.00 0.00 0.00 175.10 174.72 3hqh s VAL 30 N -0.59 2.82 -0.12 2.92 1.01 -0.31 -4.94 120.40 121.18 3hqh s VAL 30 Ca 0.08 -1.16 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 3hqh s VAL 30 Cb -0.08 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3hqh s VAL 30 CO 0.00 0.12 -0.05 -0.75 0.00 0.00 0.00 175.10 174.41 3hqh s LYS 31 N 1.29 3.33 0.25 2.72 2.20 -1.26 -0.52 119.74 127.75 3hqh s LYS 31 Ca -0.02 -0.54 -0.06 0.00 -0.36 0.00 0.00 55.97 54.99 3hqh s LYS 31 Cb -0.18 -2.78 -0.02 0.00 -1.51 0.00 0.00 37.83 33.35 3hqh s LYS 31 CO -0.04 0.39 0.36 -0.59 -0.36 0.00 0.00 175.35 175.11 3hqh s PHE 32 N -0.07 0.81 0.23 4.03 -0.71 -0.16 -5.00 117.98 117.11 3hqh s PHE 32 Ca 0.01 -1.08 -0.07 0.00 -1.04 0.00 0.00 56.93 54.75 3hqh s PHE 32 Cb -0.13 -0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.52 3hqh s PHE 32 CO 0.03 -0.90 0.33 -1.54 -1.34 0.00 0.00 175.22 171.79 3hqh s SER 33 N -3.12 0.06 -0.19 1.98 1.04 -1.26 -0.21 113.70 111.99 3hqh s SER 33 Ca 0.30 -1.15 -0.14 0.00 0.48 0.00 0.00 55.95 55.44 3hqh s SER 33 Cb 0.02 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.70 3hqh s SER 33 CO 0.13 -1.02 0.49 -0.47 0.98 0.00 0.00 173.24 173.35 3hqh s TYR 34 N -4.04 -0.65 -0.24 5.02 5.04 -0.30 -4.97 117.35 117.21 3hqh s TYR 34 Ca 0.30 1.44 -0.07 0.00 -2.44 0.00 0.00 57.07 56.31 3hqh s TYR 34 Cb 0.03 0.29 -0.02 0.00 0.35 0.00 0.00 41.96 42.60 3hqh s TYR 34 CO 0.11 -0.34 0.05 1.41 -1.34 0.00 0.00 175.55 175.44 3hqh s MET 35 N 0.95 3.61 -0.23 4.97 -2.45 -1.26 -1.28 119.30 123.60 3hqh s MET 35 Ca -0.05 -0.50 -0.04 0.00 -1.25 0.00 0.00 55.69 53.84 3hqh s MET 35 Cb -0.06 -3.25 -0.01 0.00 1.25 0.00 0.00 34.83 32.76 3hqh s MET 35 CO -0.08 -0.17 -0.02 -0.46 1.05 0.00 0.00 175.02 175.34 3hqh s TRP 36 N 1.52 2.99 -0.26 4.11 -0.00 0.58 -4.98 118.94 122.91 3hqh s TRP 36 Ca 0.06 -0.88 -0.09 0.00 -0.00 0.00 0.00 56.10 55.19 3hqh s TRP 36 Cb -0.15 -2.13 -0.04 0.00 -0.00 0.00 0.00 33.47 31.15 3hqh s TRP 36 CO 0.02 -0.53 0.12 0.99 -0.00 0.00 0.00 176.95 177.56 3hqh s THR 37 N 1.50 4.79 -0.33 5.86 2.01 -1.26 -0.50 115.64 127.70 3hqh s THR 37 Ca 0.06 -0.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.94 3hqh s THR 37 Cb -0.15 -3.25 -0.00 0.00 0.01 0.00 0.00 72.50 69.11 3hqh s THR 37 CO -0.02 0.31 0.19 -0.63 -0.69 0.00 0.00 174.62 173.79 3hqh s ILE 38 N 1.54 4.82 0.48 1.82 1.01 0.17 -4.95 121.20 126.10 3hqh s ILE 38 Ca 0.06 -0.45 -0.07 0.00 0.00 0.00 0.00 60.65 60.19 3hqh s ILE 38 Cb -0.15 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 3hqh s ILE 38 CO 0.06 -0.02 0.80 0.20 0.00 0.00 0.00 174.94 175.98 3hqh s ASN 39 N 1.64 6.31 -1.53 3.58 0.01 -1.26 -1.19 114.94 122.50 3hqh s ASN 39 Ca 0.05 1.01 -0.07 0.00 -0.71 0.00 0.00 52.86 53.14 3hqh s ASN 39 Cb -0.18 -2.28 0.06 0.00 0.41 0.00 0.00 41.25 39.26 3hqh s ASN 39 CO 0.08 -0.57 0.53 0.59 -1.51 0.00 0.00 177.10 176.22 3hqh n ASN 40 N -2.11 -1.38 -4.76 -1.22 3.02 -1.14 -4.86 115.26 102.82 3hqh n ASN 40 Ca 0.01 -1.03 -0.41 0.00 -0.03 0.00 0.00 54.58 53.12 3hqh n ASN 40 Cb 0.55 -2.83 -0.01 0.00 -0.61 0.00 0.00 39.78 36.87 3hqh n ASN 40 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3hqh s PHE 41 N -3.74 2.79 0.04 3.10 5.36 0.07 -5.01 117.98 120.59 3hqh s PHE 41 Ca 0.29 0.97 0.01 0.00 -0.96 0.00 0.00 56.93 57.24 3hqh s PHE 41 Cb -0.16 -3.98 -0.02 0.00 -0.34 0.00 0.00 43.02 38.52 3hqh s PHE 41 CO 0.91 -3.13 -0.06 0.45 -1.46 0.00 0.00 175.22 171.93 3hqh s SER 42 N 0.24 0.63 0.00 6.13 0.15 -1.26 -4.92 113.70 114.67 3hqh s SER 42 Ca 0.59 -0.56 0.26 0.00 0.70 0.00 0.00 55.95 56.93 3hqh s SER 42 Cb -0.46 0.07 0.64 0.00 -1.71 0.00 0.00 66.02 64.57 3hqh s SER 42 CO 0.51 -0.26 1.50 0.49 1.20 0.00 0.00 173.24 176.67 3hqh n PHE 43 N 1.41 0.00 -2.97 3.44 3.72 -1.26 -4.75 117.46 117.05 3hqh n PHE 43 Ca -0.23 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.76 3hqh n PHE 43 Cb 0.55 -0.11 -0.05 0.00 -0.94 0.00 0.00 39.48 38.93 3hqh n PHE 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hqh h ARG 45 N 8.10 0.42 0.00 0.00 2.43 -1.88 0.54 114.38 123.99 3hqh h ARG 45 Ca -0.25 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3hqh h ARG 45 Cb 1.10 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3hqh h ARG 45 CO 0.87 0.28 0.00 -0.85 -1.51 0.00 0.00 179.97 178.75 3hqh n GLU 46 N -4.88 0.01 -0.07 0.20 0.28 -1.26 0.49 120.64 115.41 3hqh n GLU 46 Ca 0.00 0.40 -0.09 0.00 -0.16 0.00 0.00 57.16 57.32 3hqh n GLU 46 Cb 0.06 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.35 3hqh n GLU 46 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3hqh n GLU 47 N -1.47 0.96 0.03 3.44 1.02 -0.73 -4.74 120.64 119.14 3hqh n GLU 47 Ca 0.01 0.05 -0.22 0.00 -0.02 0.00 0.00 57.16 56.99 3hqh n GLU 47 Cb 0.05 -1.29 -0.14 0.00 -0.02 0.00 0.00 31.44 30.04 3hqh n GLU 47 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 3hqh h MET 48 N 0.00 0.31 0.00 3.49 4.05 0.49 -3.50 114.93 119.78 3hqh h MET 48 Ca -0.32 -0.54 0.00 0.00 -0.28 0.00 0.00 59.70 58.57 3hqh h MET 48 Cb 1.56 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 32.56 3hqh h MET 48 CO -0.03 1.26 0.00 0.41 0.23 0.00 0.00 176.91 178.78 3hqh n GLY 49 N 1.92 2.34 0.20 1.39 0.00 0.18 -4.79 105.19 106.43 3hqh n GLY 49 Ca -0.29 -1.79 0.09 0.00 0.00 0.00 0.00 46.02 44.04 3hqh n GLY 49 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hqh h GLU 50 N 0.00 0.00 -3.03 1.61 5.08 -1.95 -3.44 114.58 112.85 3hqh h GLU 50 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 3hqh h GLU 50 Cb 0.00 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 28.95 3hqh h GLU 50 CO 0.00 0.18 -0.50 0.08 -1.00 0.00 0.00 179.01 177.77 3hqh s VAL 51 N -3.20 -0.07 -0.02 3.13 1.01 -1.26 -4.22 120.40 115.78 3hqh s VAL 51 Ca 0.05 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.23 3hqh s VAL 51 Cb 0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 3hqh s VAL 51 CO 0.68 0.07 -0.12 0.27 0.00 0.00 0.00 175.10 175.99 3hqh s ILE 52 N 1.34 1.01 0.15 2.22 -4.36 -0.69 -5.01 121.20 115.87 3hqh s ILE 52 Ca -0.09 -0.52 0.11 0.00 -0.26 0.00 0.00 60.65 59.89 3hqh s ILE 52 Cb -0.11 -0.86 -0.04 0.00 1.25 0.00 0.00 42.46 42.70 3hqh s ILE 52 CO -0.08 0.29 -0.24 -0.54 0.24 0.00 0.00 174.94 174.61 3hqh s LYS 53 N -0.13 1.53 0.80 0.37 1.02 -1.26 -1.02 119.74 121.05 3hqh s LYS 53 Ca 0.02 -1.38 -0.07 0.00 0.02 0.00 0.00 55.97 54.55 3hqh s LYS 53 Cb -0.07 -1.93 0.14 0.00 -0.52 0.00 0.00 37.83 35.46 3hqh s LYS 53 CO 0.00 0.44 1.11 -1.54 -0.92 0.00 0.00 175.35 174.44 3hqh s SER 54 N -2.34 4.02 0.79 2.83 1.04 -0.39 -4.99 113.70 114.67 3hqh s SER 54 Ca 0.18 0.03 -0.12 0.00 0.48 0.00 0.00 55.95 56.52 3hqh s SER 54 Cb -0.09 -0.36 0.07 0.00 0.10 0.00 0.00 66.02 65.74 3hqh s SER 54 CO 0.08 -2.11 1.11 -0.55 0.98 0.00 0.00 173.24 172.76 3hqh s SER 55 N -4.74 4.59 0.73 7.02 0.15 -1.26 -4.59 113.70 115.60 3hqh s SER 55 Ca 0.68 1.14 -0.11 0.00 0.70 0.00 0.00 55.95 58.36 3hqh s SER 55 Cb -0.06 -1.84 0.03 0.00 -1.71 0.00 0.00 66.02 62.44 3hqh s SER 55 CO 0.47 -1.89 1.08 0.42 1.20 0.00 0.00 173.24 174.53 3hqh s THR 56 N -3.28 3.60 0.18 6.45 -4.23 -1.26 -4.54 115.64 112.56 3hqh s THR 56 Ca 0.61 0.52 -0.23 0.00 -1.18 0.00 0.00 61.69 61.40 3hqh s THR 56 Cb -0.13 -3.33 0.06 0.00 1.34 0.00 0.00 72.50 70.44 3hqh s THR 56 CO 0.53 -0.68 0.71 0.72 -0.54 0.00 0.00 174.62 175.36 3hqh s PHE 57 N -3.16 -0.36 0.04 3.99 -0.71 0.11 -4.91 117.98 112.98 3hqh s PHE 57 Ca 0.59 0.06 -0.01 0.00 -1.04 0.00 0.00 56.93 56.53 3hqh s PHE 57 Cb -0.13 0.62 0.00 0.00 -1.21 0.00 0.00 43.02 42.30 3hqh s PHE 57 CO 0.54 -0.95 0.06 -1.13 -1.34 0.00 0.00 175.22 172.40 3hqh n SER 58 N -0.40 -0.16 0.06 1.98 3.41 -1.26 0.26 113.62 117.52 3hqh n SER 58 Ca -0.11 -1.18 -0.06 0.00 -0.26 0.00 0.00 58.87 57.27 3hqh n SER 58 Cb 0.62 0.28 -0.11 0.00 -0.26 0.00 0.00 64.21 64.75 3hqh n SER 58 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hqh h SER 59 N 0.19 0.00 0.00 4.04 4.64 -1.97 -3.46 113.55 117.00 3hqh h SER 59 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3hqh h SER 59 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3hqh h SER 59 CO 0.04 0.94 0.00 0.61 -0.87 0.00 0.00 176.83 177.55 3hqh n GLY 60 N 1.35 -0.75 0.00 -0.77 0.00 -1.26 -5.00 105.19 98.76 3hqh n GLY 60 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3hqh n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hqh n ASP 63 N -2.39 -0.57 0.14 1.61 2.03 -1.26 -5.04 116.55 111.07 3hqh n ASP 63 Ca 0.00 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.43 3hqh n ASP 63 Cb 0.00 0.31 0.11 0.00 -0.72 0.00 0.00 41.12 40.81 3hqh n ASP 63 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 3hqh h LYS 64 N 0.00 0.00 -6.43 -0.67 2.10 -2.01 -3.45 116.57 106.12 3hqh h LYS 64 Ca 0.00 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 3hqh h LYS 64 Cb 0.00 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.27 3hqh h LYS 64 CO 0.00 0.00 0.96 -0.51 -2.00 0.00 0.00 179.45 177.90 3hqh s LEU 65 N -5.46 3.80 -0.18 7.07 1.43 -1.26 -4.81 118.68 119.27 3hqh s LEU 65 Ca 0.04 1.01 -0.10 0.00 -1.03 0.00 0.00 54.13 54.05 3hqh s LEU 65 Cb 0.09 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.72 3hqh s LEU 65 CO 0.73 -1.14 0.16 -0.54 0.23 0.00 0.00 176.35 175.79 3hqh s LYS 66 N 4.26 4.10 0.32 1.70 -0.14 -1.16 -4.40 119.74 124.42 3hqh s LYS 66 Ca 0.54 -0.16 0.08 0.00 -1.36 0.00 0.00 55.97 55.07 3hqh s LYS 66 Cb -0.14 -3.39 -0.06 0.00 -1.68 0.00 0.00 37.83 32.56 3hqh s LYS 66 CO 0.25 0.36 -0.07 -1.58 -0.76 0.00 0.00 175.35 173.55 3hqh s TRP 67 N 0.18 2.19 0.17 3.18 0.52 0.14 -1.32 118.94 124.00 3hqh s TRP 67 Ca 0.10 -0.62 -0.20 0.00 0.02 0.00 0.00 56.10 55.40 3hqh s TRP 67 Cb -0.11 -1.28 0.05 0.00 -1.15 0.00 0.00 33.47 30.98 3hqh s TRP 67 CO -0.00 0.42 0.56 0.00 0.02 0.00 0.00 176.95 177.95 3hqh s LEU 69 N -2.80 4.33 -0.08 0.00 1.43 -1.26 -0.94 118.68 119.36 3hqh s LEU 69 Ca 0.04 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 3hqh s LEU 69 Cb -0.01 -3.01 0.02 0.00 0.03 0.00 0.00 46.19 43.22 3hqh s LEU 69 CO -0.09 0.15 -0.07 -0.60 0.23 0.00 0.00 176.35 175.97 3hqh s ARG 70 N -2.40 1.27 0.03 1.70 3.52 -0.19 -1.27 118.95 121.61 3hqh s ARG 70 Ca 0.35 -0.21 0.08 0.00 -0.13 0.00 0.00 55.73 55.83 3hqh s ARG 70 Cb -0.13 -1.27 -0.02 0.00 -1.56 0.00 0.00 34.95 31.97 3hqh s ARG 70 CO 0.24 -0.15 -0.24 0.08 -0.81 0.00 0.00 175.30 174.43 3hqh s VAL 71 N 1.28 1.91 -0.38 7.11 1.01 -0.19 -0.54 120.40 130.60 3hqh s VAL 71 Ca -0.04 -1.22 0.03 0.00 0.00 0.00 0.00 61.98 60.75 3hqh s VAL 71 Cb -0.14 -1.63 0.11 0.00 0.00 0.00 0.00 36.38 34.72 3hqh s VAL 71 CO -0.03 0.36 0.11 0.20 0.00 0.00 0.00 175.10 175.74 3hqh s ASN 72 N -1.04 4.74 0.48 3.32 0.01 -0.36 -1.70 114.94 120.41 3hqh s ASN 72 Ca 0.10 -2.31 0.37 0.00 -0.71 0.00 0.00 52.86 50.30 3hqh s ASN 72 Cb -0.09 -1.65 1.54 0.00 0.41 0.00 0.00 41.25 41.45 3hqh s ASN 72 CO 0.01 -0.37 1.61 -0.65 -1.51 0.00 0.00 177.10 176.20 3hqh h PRO 73 N 7.44 0.04 -4.24 -0.60 0.11 -1.84 -0.71 132.00 132.21 3hqh h PRO 73 Ca -0.05 -0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.59 3hqh h PRO 73 Cb 1.00 -0.01 -0.34 0.00 0.11 0.00 0.00 31.00 31.76 3hqh h PRO 73 CO 0.57 0.03 -0.79 0.21 -0.21 0.00 0.00 178.00 177.80 3hqh s LYS 74 N -5.14 1.25 0.19 1.05 2.20 -1.26 -4.19 119.74 113.84 3hqh s LYS 74 Ca -0.07 -0.23 -0.32 0.00 -0.36 0.00 0.00 55.97 54.99 3hqh s LYS 74 Cb 0.29 -1.16 -0.15 0.00 -1.51 0.00 0.00 37.83 35.29 3hqh s LYS 74 CO 0.84 -0.07 1.19 0.41 -0.36 0.00 0.00 175.35 177.36 3hqh n GLY 75 N 4.13 0.13 0.06 5.54 0.00 0.75 -4.80 105.19 111.00 3hqh n GLY 75 Ca -0.22 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3hqh n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hqh n LEU 76 N 2.00 0.16 -4.06 0.99 4.77 -1.26 -4.32 117.00 115.27 3hqh n LEU 76 Ca 0.14 -0.08 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 3hqh n LEU 76 Cb 0.26 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.21 3hqh n LEU 76 CO 0.61 0.04 -0.27 1.51 -1.33 0.00 0.00 177.39 177.95 3hqh s ASP 77 N -0.94 0.34 0.25 -1.43 -4.77 -1.26 -5.06 116.67 103.80 3hqh s ASP 77 Ca 0.01 -0.99 -0.03 0.00 -3.30 0.00 0.00 52.55 48.24 3hqh s ASP 77 Cb 0.01 0.27 0.44 0.00 -1.09 0.00 0.00 42.92 42.55 3hqh s ASP 77 CO 0.01 -0.68 1.78 1.05 0.70 0.00 0.00 175.17 178.03 3hqh h GLU 78 N 2.96 0.65 0.00 2.11 9.09 -1.99 -0.45 114.58 126.95 3hqh h GLU 78 Ca -0.34 -0.04 -0.06 0.00 0.05 0.00 0.00 59.36 58.97 3hqh h GLU 78 Cb 1.17 -0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 28.12 3hqh h GLU 78 CO 0.61 0.43 -0.28 1.49 0.05 0.00 0.00 179.01 181.31 3hqh h GLU 79 N 0.67 0.00 -0.27 1.06 4.81 -1.97 -2.99 114.58 115.88 3hqh h GLU 79 Ca 0.42 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.63 3hqh h GLU 79 Cb 0.50 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3hqh h GLU 79 CO -0.31 0.28 0.00 -1.13 -0.73 0.00 0.00 179.01 177.12 3hqh n SER 80 N -4.15 3.79 0.26 1.04 3.41 -0.76 -4.71 113.62 112.50 3hqh n SER 80 Ca -0.02 -3.07 0.11 0.00 -0.26 0.00 0.00 58.87 55.63 3hqh n SER 80 Cb 0.33 -0.55 0.69 0.00 -0.26 0.00 0.00 64.21 64.42 3hqh n SER 80 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3hqh h LYS 81 N 1.73 0.00 -0.63 4.33 2.10 -0.96 -1.86 116.57 121.28 3hqh h LYS 81 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3hqh h LYS 81 Cb 1.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.80 3hqh h LYS 81 CO 0.24 0.13 0.00 -0.25 -2.00 0.00 0.00 179.45 177.56 3hqh n ASP 82 N -3.82 3.60 -4.52 7.07 8.00 -1.26 -4.42 116.55 121.20 3hqh n ASP 82 Ca -0.02 -2.12 -0.25 0.00 0.71 0.00 0.00 54.79 53.11 3hqh n ASP 82 Cb 0.23 -0.45 -0.11 0.00 -0.02 0.00 0.00 41.12 40.77 3hqh n ASP 82 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hqh s TYR 83 N -1.37 2.25 -0.13 1.24 2.02 -0.74 0.55 117.35 121.17 3hqh s TYR 83 Ca 0.42 -0.64 -0.03 0.00 -0.37 0.00 0.00 57.07 56.45 3hqh s TYR 83 Cb 0.24 -1.38 -0.03 0.00 -0.40 0.00 0.00 41.96 40.39 3hqh s TYR 83 CO 0.26 0.40 -0.02 -1.17 -1.57 0.00 0.00 175.55 173.45 3hqh s LEU 84 N -3.57 3.38 -0.15 -1.29 0.20 0.20 -0.18 118.68 117.28 3hqh s LEU 84 Ca 0.33 -0.03 -0.08 0.00 0.69 0.00 0.00 54.13 55.04 3hqh s LEU 84 Cb 0.05 -1.80 -0.04 0.00 -0.43 0.00 0.00 46.19 43.97 3hqh s LEU 84 CO 0.15 0.24 0.13 -0.44 -0.29 0.00 0.00 176.35 176.14 3hqh s SER 85 N -0.05 6.25 -0.09 3.68 0.01 -0.27 -2.66 113.70 120.57 3hqh s SER 85 Ca 0.02 0.36 0.01 0.00 1.31 0.00 0.00 55.95 57.66 3hqh s SER 85 Cb -0.13 -2.04 0.02 0.00 0.21 0.00 0.00 66.02 64.08 3hqh s SER 85 CO 0.02 0.33 -0.11 -0.22 0.41 0.00 0.00 173.24 173.67 3hqh s LEU 86 N -0.54 1.49 0.12 2.44 2.96 -0.95 -1.22 118.68 122.98 3hqh s LEU 86 Ca 0.12 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.76 3hqh s LEU 86 Cb -0.12 -0.89 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 3hqh s LEU 86 CO 0.02 -0.03 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.58 3hqh s TYR 87 N 1.13 1.36 -0.18 5.38 2.02 0.30 -1.14 117.35 126.22 3hqh s TYR 87 Ca -0.05 -0.58 -0.06 0.00 -0.37 0.00 0.00 57.07 56.00 3hqh s TYR 87 Cb -0.14 -0.71 -0.04 0.00 -0.40 0.00 0.00 41.96 40.67 3hqh s TYR 87 CO -0.02 0.13 0.03 -1.17 -1.57 0.00 0.00 175.55 172.95 3hqh s LEU 88 N -2.54 3.59 -0.06 -1.29 2.96 0.15 -1.02 118.68 120.47 3hqh s LEU 88 Ca 0.10 -0.02 0.05 0.00 -0.22 0.00 0.00 54.13 54.04 3hqh s LEU 88 Cb -0.04 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 3hqh s LEU 88 CO 0.03 0.15 -0.23 -0.22 -1.32 0.00 0.00 176.35 174.76 3hqh s LEU 89 N 0.51 2.20 -0.50 -0.68 2.96 -0.11 -1.64 118.68 121.42 3hqh s LEU 89 Ca 0.01 -0.46 -0.21 0.00 -0.22 0.00 0.00 54.13 53.26 3hqh s LEU 89 Cb -0.13 -1.41 0.05 0.00 0.50 0.00 0.00 46.19 45.19 3hqh s LEU 89 CO 0.01 0.25 0.70 -0.22 -1.32 0.00 0.00 176.35 175.78 3hqh s LEU 90 N -0.21 4.66 -0.06 -0.68 2.96 -0.93 -1.89 118.68 122.52 3hqh s LEU 90 Ca -0.02 -0.66 -0.09 0.00 -0.22 0.00 0.00 54.13 53.15 3hqh s LEU 90 Cb -0.13 -2.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.91 3hqh s LEU 90 CO 0.03 -0.95 0.38 0.58 -1.32 0.00 0.00 176.35 175.07 3hqh h VAL 91 N 5.90 0.00 -3.62 1.68 2.07 -1.54 0.17 116.25 120.91 3hqh h VAL 91 Ca -0.27 -0.73 -0.62 0.00 0.82 0.00 0.00 66.70 65.91 3hqh h VAL 91 Cb 1.09 0.00 -0.32 0.00 -1.52 0.00 0.00 31.29 30.54 3hqh h VAL 91 CO 0.98 0.00 -0.86 -0.94 0.02 0.00 0.00 177.57 176.77 3hqh s SER 92 N -5.08 2.56 -0.13 0.57 1.04 -1.14 -4.31 113.70 107.20 3hqh s SER 92 Ca -0.05 -0.44 -0.02 0.00 0.48 0.00 0.00 55.95 55.93 3hqh s SER 92 Cb 0.00 -0.97 0.04 0.00 0.10 0.00 0.00 66.02 65.19 3hqh s SER 92 CO 0.14 0.15 -0.01 0.00 0.98 0.00 0.00 173.24 174.50 3hqh n PRO 94 N 5.04 2.51 0.00 0.00 -0.04 -1.26 -4.90 135.00 136.35 3hqh n PRO 94 Ca -0.09 -3.41 0.00 0.00 -0.04 0.00 0.00 63.50 59.95 3hqh n PRO 94 Cb 0.49 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 3hqh n PRO 94 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3hqh n GLU 97 N -0.98 0.00 -3.69 0.54 0.00 -0.96 -5.18 120.64 110.36 3hqh n GLU 97 Ca 0.47 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.51 3hqh n GLU 97 Cb 1.02 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 32.37 3hqh n GLU 97 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3hqh s VAL 98 N -2.00 -0.00 -0.05 6.31 1.01 -1.02 -5.02 120.40 119.63 3hqh s VAL 98 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.05 3hqh s VAL 98 Cb 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 3hqh s VAL 98 CO 0.00 0.00 -0.22 -0.13 0.00 0.00 0.00 175.10 174.76 3hqh s ARG 99 N 0.46 2.44 -0.07 2.72 0.52 -1.26 0.51 118.95 124.27 3hqh s ARG 99 Ca -0.02 -0.85 -0.29 0.00 -0.52 0.00 0.00 55.73 54.06 3hqh s ARG 99 Cb -0.04 -2.20 0.07 0.00 0.52 0.00 0.00 34.95 33.29 3hqh s ARG 99 CO -0.02 0.50 0.65 0.00 0.02 0.00 0.00 175.30 176.45 3hqh s ALA 100 N -0.44 -1.67 0.17 2.13 0.00 -0.65 -1.26 121.76 120.05 3hqh s ALA 100 Ca 0.05 1.31 0.04 0.00 0.00 0.00 0.00 51.96 53.36 3hqh s ALA 100 Cb -0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 3hqh s ALA 100 CO 0.01 -0.35 0.23 0.15 0.00 0.00 0.00 175.76 175.80 3hqh s LYS 101 N -1.00 3.20 0.10 0.00 1.02 -0.07 -1.65 119.74 121.35 3hqh s LYS 101 Ca -0.10 -0.75 -0.09 0.00 0.02 0.00 0.00 55.97 55.05 3hqh s LYS 101 Cb -0.01 -2.81 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 3hqh s LYS 101 CO 0.08 0.49 0.22 -0.59 -0.92 0.00 0.00 175.35 174.64 3hqh s PHE 102 N -1.80 0.15 -0.06 3.18 -0.71 -1.26 -0.86 117.98 116.63 3hqh s PHE 102 Ca 0.33 -0.56 -0.04 0.00 -1.04 0.00 0.00 56.93 55.61 3hqh s PHE 102 Cb -0.10 -0.03 0.02 0.00 -1.21 0.00 0.00 43.02 41.70 3hqh s PHE 102 CO 0.26 -0.58 0.15 0.21 -1.34 0.00 0.00 175.22 173.92 3hqh s LYS 103 N -3.87 0.15 0.04 1.99 2.20 -0.59 -1.10 119.74 118.56 3hqh s LYS 103 Ca 0.06 0.25 0.08 0.00 -0.36 0.00 0.00 55.97 56.00 3hqh s LYS 103 Cb 0.04 0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.35 3hqh s LYS 103 CO -0.10 -0.06 -0.23 -0.06 -0.36 0.00 0.00 175.35 174.55 3hqh s PHE 104 N 0.38 1.99 0.06 4.03 0.08 0.31 -1.58 117.98 123.24 3hqh s PHE 104 Ca -0.02 -0.39 -0.17 0.00 0.12 0.00 0.00 56.93 56.47 3hqh s PHE 104 Cb -0.04 -1.20 0.03 0.00 -0.57 0.00 0.00 43.02 41.25 3hqh s PHE 104 CO -0.02 0.09 0.40 -1.54 -0.10 0.00 0.00 175.22 174.05 3hqh s SER 105 N -1.13 -0.26 -0.15 1.36 1.04 -0.67 -0.22 113.70 113.67 3hqh s SER 105 Ca 0.09 -0.07 -0.08 0.00 0.48 0.00 0.00 55.95 56.37 3hqh s SER 105 Cb -0.09 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 3hqh s SER 105 CO 0.02 -0.69 0.13 -0.63 0.98 0.00 0.00 173.24 173.05 3hqh s ILE 106 N -2.68 5.45 -0.25 -1.02 1.01 -0.10 -0.89 121.20 122.72 3hqh s ILE 106 Ca -0.04 0.19 -0.19 0.00 0.00 0.00 0.00 60.65 60.61 3hqh s ILE 106 Cb -0.00 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 3hqh s ILE 106 CO -0.04 0.56 0.58 -0.76 0.00 0.00 0.00 174.94 175.28 3hqh s LEU 107 N -0.57 4.07 0.00 2.97 1.02 0.02 -1.14 118.68 125.05 3hqh s LEU 107 Ca 0.13 0.65 -0.13 0.00 0.02 0.00 0.00 54.13 54.80 3hqh s LEU 107 Cb -0.12 -2.78 0.18 0.00 0.02 0.00 0.00 46.19 43.50 3hqh s LEU 107 CO 0.02 -0.32 1.10 -0.46 0.02 0.00 0.00 176.35 176.70 3hqh n ASN 108 N 5.56 0.18 -0.40 2.29 0.23 -0.25 -4.56 115.26 118.31 3hqh n ASN 108 Ca -0.02 -1.46 0.35 0.00 -0.53 0.00 0.00 54.58 52.93 3hqh n ASN 108 Cb 0.49 -0.83 0.69 0.00 -2.08 0.00 0.00 39.78 38.05 3hqh n ASN 108 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hqh h ALA 109 N -1.71 2.96 -0.56 -2.53 0.00 -1.72 -0.26 119.26 115.44 3hqh h ALA 109 Ca -0.36 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 3hqh h ALA 109 Cb 1.00 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 3hqh h ALA 109 CO 0.26 -1.40 0.12 0.36 0.00 0.00 0.00 179.25 178.59 3hqh n LYS 110 N -4.34 3.61 -0.96 0.00 2.85 -1.26 -4.96 118.16 113.10 3hqh n LYS 110 Ca 0.31 -3.06 0.00 0.00 -1.05 0.00 0.00 58.31 54.50 3hqh n LYS 110 Cb 1.31 -2.11 0.00 0.00 -0.65 0.00 0.00 35.03 33.59 3hqh n LYS 110 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3hqh n GLY 111 N -0.18 0.35 3.89 2.58 0.00 -0.11 -5.03 105.19 106.70 3hqh n GLY 111 Ca 0.33 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 3hqh n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hqh s GLU 112 N -0.76 3.60 -0.09 1.61 2.02 -1.26 -4.73 118.70 119.08 3hqh s GLU 112 Ca 0.00 0.34 -0.22 0.00 0.02 0.00 0.00 54.97 55.11 3hqh s GLU 112 Cb 0.00 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 3hqh s GLU 112 CO 0.00 -0.23 0.64 -1.21 0.02 0.00 0.00 175.26 174.48 3hqh s GLU 113 N -4.65 4.39 0.12 1.61 2.02 -1.26 -1.09 118.70 119.84 3hqh s GLU 113 Ca 0.49 0.76 -0.02 0.00 0.02 0.00 0.00 54.97 56.22 3hqh s GLU 113 Cb -0.10 -3.46 -0.04 0.00 0.10 0.00 0.00 34.13 30.63 3hqh s GLU 113 CO 0.44 0.05 0.06 0.95 0.02 0.00 0.00 175.26 176.79 3hqh s THR 114 N 0.88 0.12 -1.59 3.63 -4.23 -0.29 -4.88 115.64 109.28 3hqh s THR 114 Ca 0.34 -1.82 -0.13 0.00 -1.18 0.00 0.00 61.69 58.90 3hqh s THR 114 Cb -0.17 -1.91 0.10 0.00 1.34 0.00 0.00 72.50 71.87 3hqh s THR 114 CO 0.15 -0.56 0.74 0.29 -0.54 0.00 0.00 174.62 174.71 3hqh n LYS 115 N -0.06 -3.78 -2.34 3.99 4.76 -1.26 -0.92 118.16 118.54 3hqh n LYS 115 Ca -0.08 0.44 -0.40 0.00 -2.87 0.00 0.00 58.31 55.40 3hqh n LYS 115 Cb 0.63 -5.06 -0.03 0.00 -1.84 0.00 0.00 35.03 28.73 3hqh n LYS 115 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hqh s ALA 116 N -3.46 3.44 -0.04 7.82 0.00 -1.26 -4.48 121.76 123.78 3hqh s ALA 116 Ca 0.53 1.03 -0.02 0.00 0.00 0.00 0.00 51.96 53.51 3hqh s ALA 116 Cb -0.28 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.48 3hqh s ALA 116 CO 0.89 -0.34 0.04 1.41 0.00 0.00 0.00 175.76 177.76 3hqh s MET 117 N -1.52 0.07 0.05 0.00 1.75 0.70 -4.98 119.30 115.36 3hqh s MET 117 Ca 0.46 0.30 0.08 0.00 -1.25 0.00 0.00 55.69 55.28 3hqh s MET 117 Cb -0.35 -0.58 -0.03 0.00 2.84 0.00 0.00 34.83 36.72 3hqh s MET 117 CO 0.45 -0.31 -0.21 -2.00 -0.65 0.00 0.00 175.02 172.30 3hqh s GLU 118 N 2.01 1.41 0.21 4.11 2.12 -1.26 -0.53 118.70 126.77 3hqh s GLU 118 Ca 0.03 -0.98 -0.30 0.00 0.36 0.00 0.00 54.97 54.09 3hqh s GLU 118 Cb -0.12 -1.55 -0.08 0.00 0.26 0.00 0.00 34.13 32.64 3hqh s GLU 118 CO -0.03 0.39 1.17 -1.54 -0.54 0.00 0.00 175.26 174.71 3hqh s SER 119 N -1.25 7.14 0.06 -1.70 1.04 -0.26 -4.94 113.70 113.78 3hqh s SER 119 Ca 0.08 2.24 -0.27 0.00 0.48 0.00 0.00 55.95 58.48 3hqh s SER 119 Cb -0.09 -2.61 -0.17 0.00 0.10 0.00 0.00 66.02 63.25 3hqh s SER 119 CO 0.02 -0.31 1.56 0.06 0.98 0.00 0.00 173.24 175.55 3hqh h GLN 120 N 4.86 -0.34 0.00 4.02 3.07 -2.00 -3.43 115.11 121.28 3hqh h GLN 120 Ca -0.45 0.02 -0.31 0.00 0.09 0.00 0.00 58.65 58.00 3hqh h GLN 120 Cb 1.21 0.08 -0.04 0.00 0.08 0.00 0.00 27.48 28.81 3hqh h GLN 120 CO 0.72 -0.15 -0.18 0.54 0.09 0.00 0.00 178.83 179.85 3hqh n ARG 121 N -5.19 1.21 -3.41 0.06 3.00 -1.26 -5.08 116.66 105.99 3hqh n ARG 121 Ca -0.10 -1.78 -0.33 0.00 -0.01 0.00 0.00 57.85 55.63 3hqh n ARG 121 Cb 0.20 0.32 -0.05 0.00 0.00 0.00 0.00 32.46 32.93 3hqh n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hqh s ALA 122 N -2.41 3.58 0.19 7.54 0.00 -1.26 -4.59 121.76 124.81 3hqh s ALA 122 Ca 0.09 -0.25 0.11 0.00 0.00 0.00 0.00 51.96 51.91 3hqh s ALA 122 Cb -0.01 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 3hqh s ALA 122 CO 0.06 0.50 -0.24 0.71 0.00 0.00 0.00 175.76 176.79 3hqh s TYR 123 N -1.71 2.28 -0.15 0.00 2.02 -0.66 -4.81 117.35 114.31 3hqh s TYR 123 Ca 0.44 -0.36 -0.24 0.00 -0.37 0.00 0.00 57.07 56.54 3hqh s TYR 123 Cb -0.12 -1.13 -0.02 0.00 -0.40 0.00 0.00 41.96 40.29 3hqh s TYR 123 CO 0.21 0.49 0.79 0.50 -1.57 0.00 0.00 175.55 175.97 3hqh s ARG 124 N -2.68 4.31 0.05 -0.62 3.52 -1.26 -1.63 118.95 120.64 3hqh s ARG 124 Ca 0.21 0.95 0.06 0.00 -0.13 0.00 0.00 55.73 56.82 3hqh s ARG 124 Cb -0.08 -3.55 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 3hqh s ARG 124 CO 0.10 -0.25 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.16 3hqh s PHE 125 N 1.88 2.71 0.12 5.12 0.08 0.18 -4.96 117.98 123.11 3hqh s PHE 125 Ca 0.37 -0.16 -0.01 0.00 0.12 0.00 0.00 56.93 57.25 3hqh s PHE 125 Cb -0.17 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 3hqh s PHE 125 CO 0.13 0.35 0.03 0.14 -0.10 0.00 0.00 175.22 175.77 3hqh s VAL 126 N -1.05 0.21 0.15 -0.44 -7.23 -1.26 -2.27 120.40 108.51 3hqh s VAL 126 Ca 0.18 -1.90 -0.34 0.00 -1.81 0.00 0.00 61.98 58.10 3hqh s VAL 126 Cb -0.11 -1.94 -0.15 0.00 0.56 0.00 0.00 36.38 34.74 3hqh s VAL 126 CO 0.09 -0.58 1.48 1.67 -0.31 0.00 0.00 175.10 177.45 3hqh n GLN 127 N -0.07 1.82 -0.77 4.82 7.27 -1.26 -1.34 117.38 127.84 3hqh n GLN 127 Ca -0.07 0.65 0.00 0.00 0.07 0.00 0.00 57.00 57.65 3hqh n GLN 127 Cb 0.63 -2.37 0.00 0.00 2.41 0.00 0.00 30.24 30.91 3hqh n GLN 127 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hqh n GLY 128 N 3.01 0.89 3.86 1.69 0.00 0.05 -5.03 105.19 109.64 3hqh n GLY 128 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3hqh n GLY 128 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hqh s LYS 129 N -0.23 3.68 0.20 1.61 2.47 -0.45 -4.92 119.74 122.11 3hqh s LYS 129 Ca 0.00 0.11 0.08 0.00 -1.56 0.00 0.00 55.97 54.60 3hqh s LYS 129 Cb 0.00 -3.21 -0.05 0.00 -1.46 0.00 0.00 37.83 33.11 3hqh s LYS 129 CO 0.00 0.72 -0.14 0.16 0.16 0.00 0.00 175.35 176.25 3hqh s ASP 130 N -0.99 2.54 -0.01 1.43 1.47 -1.26 -2.19 116.67 117.65 3hqh s ASP 130 Ca 0.19 -1.01 -0.05 0.00 1.18 0.00 0.00 52.55 52.86 3hqh s ASP 130 Cb -0.14 -0.13 0.00 0.00 -0.34 0.00 0.00 42.92 42.31 3hqh s ASP 130 CO 0.08 -0.17 0.10 0.26 0.68 0.00 0.00 175.17 176.11 3hqh s TRP 131 N -2.96 0.02 -0.89 2.11 0.52 -0.65 -4.95 118.94 112.14 3hqh s TRP 131 Ca 0.22 -0.05 0.00 0.00 0.02 0.00 0.00 56.10 56.29 3hqh s TRP 131 Cb -0.01 -0.04 0.00 0.00 -1.15 0.00 0.00 33.47 32.27 3hqh s TRP 131 CO 0.06 -0.18 0.00 0.41 0.02 0.00 0.00 176.95 177.26 3hqh n GLY 132 N 2.06 -0.79 2.75 0.98 0.00 -1.26 0.32 105.19 109.25 3hqh n GLY 132 Ca -0.19 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 3hqh n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hqh s PHE 133 N -4.00 0.85 0.36 1.61 0.08 -0.29 -4.99 117.98 111.59 3hqh s PHE 133 Ca 0.00 -0.53 0.24 0.00 0.12 0.00 0.00 56.93 56.75 3hqh s PHE 133 Cb 0.00 -0.92 1.21 0.00 -0.57 0.00 0.00 43.02 42.74 3hqh s PHE 133 CO 0.00 -0.48 1.98 1.57 -0.10 0.00 0.00 175.22 178.19 3hqh h LYS 134 N 8.29 0.00 -2.28 0.44 2.10 -1.89 -2.48 116.57 120.74 3hqh h LYS 134 Ca -0.18 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 57.83 3hqh h LYS 134 Cb 1.12 0.00 -0.38 0.00 -0.90 0.00 0.00 32.23 32.07 3hqh h LYS 134 CO 0.30 0.19 -0.23 1.63 -2.00 0.00 0.00 179.45 179.34 3hqh n LYS 135 N -3.70 3.78 -0.05 0.07 5.02 -1.26 -3.75 118.16 118.27 3hqh n LYS 135 Ca -0.01 -4.82 -0.12 0.00 -2.02 0.00 0.00 58.31 51.34 3hqh n LYS 135 Cb 0.30 -2.30 -0.06 0.00 -0.02 0.00 0.00 35.03 32.96 3hqh n LYS 135 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3hqh h PHE 136 N 3.29 0.33 -2.61 2.13 3.57 -1.29 -3.46 116.94 118.89 3hqh h PHE 136 Ca 0.23 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 3hqh h PHE 136 Cb 0.46 -0.08 -0.23 0.00 2.79 0.00 0.00 35.95 38.89 3hqh h PHE 136 CO 0.96 0.55 -0.16 -1.50 -2.23 0.00 0.00 178.31 175.93 3hqh s ILE 137 N -4.83 0.01 0.09 1.41 1.10 -1.20 -4.99 121.20 112.79 3hqh s ILE 137 Ca -0.14 -0.04 -0.31 0.00 -0.51 0.00 0.00 60.65 59.65 3hqh s ILE 137 Cb 0.06 -0.67 -0.08 0.00 0.15 0.00 0.00 42.46 41.91 3hqh s ILE 137 CO 0.72 -0.02 1.53 -0.13 -2.11 0.00 0.00 174.94 174.93 3hqh s ARG 138 N 0.04 4.24 0.65 3.50 0.52 -1.26 -0.62 118.95 126.02 3hqh s ARG 138 Ca -0.02 2.22 0.42 0.00 -0.52 0.00 0.00 55.73 57.84 3hqh s ARG 138 Cb -0.03 -3.40 2.28 0.00 0.52 0.00 0.00 34.95 34.31 3hqh s ARG 138 CO 0.01 -0.61 2.33 0.00 0.02 0.00 0.00 175.30 177.05 3hqh h ARG 139 N 7.51 0.00 -0.00 3.54 3.08 -0.18 -0.43 114.38 127.90 3hqh h ARG 139 Ca -0.42 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.47 3hqh h ARG 139 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 3hqh h ARG 139 CO 0.91 0.00 -0.77 0.78 -1.07 0.00 0.00 179.97 179.82 3hqh h GLY 140 N 0.20 0.04 1.31 0.04 0.00 -1.90 -3.23 103.07 99.54 3hqh h GLY 140 Ca -0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 47.33 47.09 3hqh h GLY 140 CO 0.00 0.06 -0.56 0.74 0.00 0.00 0.00 176.54 176.78 3hqh h PHE 141 N 0.02 0.90 -0.78 5.60 -1.00 -1.44 -3.20 116.94 117.04 3hqh h PHE 141 Ca -0.01 -0.33 0.02 0.00 2.81 0.00 0.00 57.97 60.46 3hqh h PHE 141 Cb 1.35 -0.17 -0.04 0.00 3.61 0.00 0.00 35.95 40.70 3hqh h PHE 141 CO 0.00 1.11 0.51 -0.07 -1.61 0.00 0.00 178.31 178.26 3hqh h LEU 142 N 0.55 0.87 -0.72 1.54 4.07 -1.55 -2.76 115.31 117.31 3hqh h LEU 142 Ca 0.01 -0.01 0.02 0.00 0.08 0.00 0.00 57.88 57.98 3hqh h LEU 142 Cb 1.14 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 42.63 3hqh h LEU 142 CO 0.12 0.61 0.46 -0.07 -1.08 0.00 0.00 178.44 178.48 3hqh h LEU 143 N 1.02 0.77 -8.70 1.67 3.38 -1.59 -3.41 115.31 108.45 3hqh h LEU 143 Ca 0.30 -0.01 -0.55 0.00 0.09 0.00 0.00 57.88 57.71 3hqh h LEU 143 Cb -0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3hqh h LEU 143 CO -0.09 0.54 1.55 -0.67 0.09 0.00 0.00 178.44 179.87 3hqh n ASP 144 N -4.63 2.52 0.30 -0.43 2.03 -1.04 -4.77 116.55 110.53 3hqh n ASP 144 Ca 0.07 -0.03 0.18 0.00 0.52 0.00 0.00 54.79 55.54 3hqh n ASP 144 Cb 0.06 -1.48 0.90 0.00 -0.72 0.00 0.00 41.12 39.89 3hqh n ASP 144 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3hqh h GLU 145 N 16.13 0.00 0.00 -0.67 4.81 -1.86 -1.54 114.58 131.44 3hqh h GLU 145 Ca -0.30 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3hqh h GLU 145 Cb 1.27 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 3hqh h GLU 145 CO 1.07 0.03 -0.02 0.00 -0.73 0.00 0.00 179.01 179.36 3hqh h ALA 146 N 1.97 1.96 0.00 2.92 0.00 -1.94 -1.58 119.26 122.59 3hqh h ALA 146 Ca -0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3hqh h ALA 146 Cb 0.27 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3hqh h ALA 146 CO 0.00 0.02 -0.54 -0.91 0.00 0.00 0.00 179.25 177.83 3hqh h ASN 147 N 0.00 0.00 -5.22 0.00 2.35 -1.59 -3.48 115.58 107.64 3hqh h ASN 147 Ca -0.00 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.42 3hqh h ASN 147 Cb 0.03 0.00 0.13 0.00 0.05 0.00 0.00 38.32 38.54 3hqh h ASN 147 CO 0.00 0.54 -0.62 0.61 -1.65 0.00 0.00 177.43 176.31 3hqh n GLY 148 N 1.20 -0.32 0.03 2.83 0.00 -0.60 -4.80 105.19 103.54 3hqh n GLY 148 Ca 0.02 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.24 3hqh n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hqh n LEU 149 N -4.17 0.42 -2.66 0.99 4.32 -1.26 -2.02 117.00 112.63 3hqh n LEU 149 Ca -0.09 -0.02 -0.23 0.00 -0.02 0.00 0.00 56.01 55.65 3hqh n LEU 149 Cb 0.59 -0.04 -0.00 0.00 -1.62 0.00 0.00 43.42 42.35 3hqh n LEU 149 CO 0.55 0.01 0.10 0.18 -1.22 0.00 0.00 177.39 177.02 3hqh n LEU 150 N -2.15 3.82 -4.67 2.23 4.77 -1.26 -4.54 117.00 115.19 3hqh n LEU 150 Ca -0.01 -5.03 -0.47 0.00 -0.03 0.00 0.00 56.01 50.47 3hqh n LEU 150 Cb 0.50 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 3hqh n LEU 150 CO 0.43 2.15 1.34 -0.81 -1.33 0.00 0.00 177.39 179.17 3hqh n PRO 151 N -0.31 2.14 -3.67 3.23 -0.04 -1.22 -1.30 135.00 133.85 3hqh n PRO 151 Ca 0.31 0.78 -0.28 0.00 -0.04 0.00 0.00 63.50 64.27 3hqh n PRO 151 Cb 0.63 -2.58 0.02 0.00 -0.04 0.00 0.00 33.50 31.52 3hqh n PRO 151 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3hqh n ASP 152 N 5.04 -4.59 -2.53 3.54 5.68 -1.26 -1.00 116.55 121.44 3hqh n ASP 152 Ca 0.20 -0.62 -0.21 0.00 -0.50 0.00 0.00 54.79 53.66 3hqh n ASP 152 Cb 0.29 -3.70 -0.00 0.00 -1.14 0.00 0.00 41.12 36.56 3hqh n ASP 152 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3hqh n ASP 153 N -2.62 -6.01 -4.30 -1.12 8.00 -0.42 -4.74 116.55 105.34 3hqh n ASP 153 Ca 0.01 -0.08 -0.33 0.00 0.71 0.00 0.00 54.79 55.11 3hqh n ASP 153 Cb 0.54 -4.97 -0.15 0.00 -0.02 0.00 0.00 41.12 36.52 3hqh n ASP 153 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3hqh s LYS 154 N -5.19 3.24 -0.24 -1.24 1.02 -0.17 -0.75 119.74 116.42 3hqh s LYS 154 Ca 0.06 -0.77 -0.05 0.00 0.02 0.00 0.00 55.97 55.23 3hqh s LYS 154 Cb -0.03 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.77 3hqh s LYS 154 CO 0.08 0.18 0.01 -1.17 -0.92 0.00 0.00 175.35 173.53 3hqh s LEU 155 N 0.38 3.16 -0.28 3.17 2.96 -0.33 -3.37 118.68 124.37 3hqh s LEU 155 Ca -0.14 -0.35 -0.05 0.00 -0.22 0.00 0.00 54.13 53.37 3hqh s LEU 155 Cb -0.17 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.72 3hqh s LEU 155 CO 0.06 -0.04 0.04 -0.89 -1.32 0.00 0.00 176.35 174.21 3hqh s THR 156 N 1.53 3.69 -0.07 3.68 2.01 -1.26 0.45 115.64 125.68 3hqh s THR 156 Ca 0.06 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.29 3hqh s THR 156 Cb -0.15 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 3hqh s THR 156 CO -0.00 0.11 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.26 3hqh s LEU 157 N 1.46 3.42 -0.13 4.42 1.43 0.34 -0.80 118.68 128.82 3hqh s LEU 157 Ca 0.02 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3hqh s LEU 157 Cb -0.17 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.27 3hqh s LEU 157 CO 0.01 0.36 -0.17 0.12 0.23 0.00 0.00 176.35 176.89 3hqh s PHE 158 N -0.89 2.29 -0.06 0.29 5.36 -0.07 -0.31 117.98 124.59 3hqh s PHE 158 Ca 0.14 -1.19 0.05 0.00 -0.96 0.00 0.00 56.93 54.97 3hqh s PHE 158 Cb -0.11 -1.62 -0.01 0.00 -0.34 0.00 0.00 43.02 40.93 3hqh s PHE 158 CO 0.03 -0.60 -0.23 0.00 -1.46 0.00 0.00 175.22 172.96 3hqh s GLU 160 N -0.18 2.85 -0.07 0.00 2.02 -0.61 -1.15 118.70 121.56 3hqh s GLU 160 Ca -0.03 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.21 3hqh s GLU 160 Cb -0.14 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 31.65 3hqh s GLU 160 CO 0.04 -0.15 -0.14 0.08 0.02 0.00 0.00 175.26 175.11 3hqh s VAL 161 N 1.16 3.10 -0.25 2.63 1.01 0.70 -1.53 120.40 127.22 3hqh s VAL 161 Ca 0.01 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.32 3hqh s VAL 161 Cb -0.14 -2.24 0.06 0.00 0.00 0.00 0.00 36.38 34.07 3hqh s VAL 161 CO -0.09 0.58 -0.09 -0.44 0.00 0.00 0.00 175.10 175.06 3hqh s SER 162 N -0.50 4.24 -0.15 3.32 0.01 -0.04 -0.99 113.70 119.59 3hqh s SER 162 Ca 0.07 -1.34 -0.18 0.00 1.31 0.00 0.00 55.95 55.81 3hqh s SER 162 Cb -0.12 -1.41 -0.04 0.00 0.21 0.00 0.00 66.02 64.66 3hqh s SER 162 CO 0.02 -0.21 0.47 -0.69 0.41 0.00 0.00 173.24 173.24 3hqh s VAL 163 N 1.20 5.17 -0.03 3.43 1.01 0.32 -0.89 120.40 130.62 3hqh s VAL 163 Ca -0.07 0.91 -0.28 0.00 0.00 0.00 0.00 61.98 62.53 3hqh s VAL 163 Cb -0.20 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3hqh s VAL 163 CO -0.06 0.28 0.91 -0.69 0.00 0.00 0.00 175.10 175.54 3hqh s VAL 164 N 1.00 4.90 -2.45 2.92 1.01 -0.39 -1.17 120.40 126.22 3hqh s VAL 164 Ca 0.24 1.90 0.28 0.00 0.00 0.00 0.00 61.98 64.41 3hqh s VAL 164 Cb -0.15 -4.25 0.59 0.00 0.00 0.00 0.00 36.38 32.57 3hqh s VAL 164 CO 0.09 0.16 1.79 0.00 0.00 0.00 0.00 175.10 177.15