#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hql s VAL 29 N 0.00 1.60 -0.11 3.15 0.11 -1.26 -4.33 120.40 119.56 3hql s VAL 29 Ca 0.00 -0.73 -0.01 0.00 -2.93 0.00 0.00 61.98 58.31 3hql s VAL 29 Cb 0.00 -1.43 0.03 0.00 -1.53 0.00 0.00 36.38 33.45 3hql s VAL 29 CO 0.00 0.46 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.50 3hql s VAL 30 N 0.69 0.77 -0.06 2.04 1.01 -0.02 -5.01 120.40 119.82 3hql s VAL 30 Ca -0.13 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.72 3hql s VAL 30 Cb -0.16 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 3hql s VAL 30 CO 0.03 0.28 -0.22 -0.75 0.00 0.00 0.00 175.10 174.44 3hql s LYS 31 N 1.81 2.35 0.24 2.72 2.20 -1.26 -0.47 119.74 127.32 3hql s LYS 31 Ca 0.04 -0.80 -0.15 0.00 -0.36 0.00 0.00 55.97 54.71 3hql s LYS 31 Cb -0.13 -1.97 0.00 0.00 -1.51 0.00 0.00 37.83 34.23 3hql s LYS 31 CO -0.07 0.30 0.51 -0.59 -0.36 0.00 0.00 175.35 175.14 3hql s PHE 32 N -0.01 0.19 0.13 4.03 -0.12 -0.38 -5.01 117.98 116.83 3hql s PHE 32 Ca -0.06 -0.57 -0.05 0.00 -0.05 0.00 0.00 56.93 56.21 3hql s PHE 32 Cb -0.14 0.28 -0.02 0.00 -0.63 0.00 0.00 43.02 42.51 3hql s PHE 32 CO 0.04 -0.99 0.15 -1.54 -0.05 0.00 0.00 175.22 172.82 3hql s SER 33 N -2.97 0.21 -0.08 1.98 1.04 -1.26 -0.22 113.70 112.39 3hql s SER 33 Ca 0.18 -1.02 -0.05 0.00 0.48 0.00 0.00 55.95 55.54 3hql s SER 33 Cb -0.01 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.49 3hql s SER 33 CO 0.06 -0.78 0.20 -0.47 0.98 0.00 0.00 173.24 173.22 3hql s TYR 34 N -3.99 -0.24 -0.23 5.02 5.04 -0.26 -4.97 117.35 117.72 3hql s TYR 34 Ca 0.19 0.59 -0.07 0.00 -2.44 0.00 0.00 57.07 55.34 3hql s TYR 34 Cb 0.06 0.03 -0.03 0.00 0.35 0.00 0.00 41.96 42.36 3hql s TYR 34 CO -0.01 -0.16 0.06 1.41 -1.34 0.00 0.00 175.55 175.52 3hql s MET 35 N 0.71 3.72 -0.26 4.97 -2.45 -1.26 -1.06 119.30 123.66 3hql s MET 35 Ca -0.05 -0.45 -0.05 0.00 -1.25 0.00 0.00 55.69 53.89 3hql s MET 35 Cb -0.06 -3.28 0.01 0.00 1.25 0.00 0.00 34.83 32.74 3hql s MET 35 CO -0.04 -0.07 0.01 -0.46 1.05 0.00 0.00 175.02 175.51 3hql s TRP 36 N 1.31 3.08 -0.25 4.11 -0.00 0.12 -4.98 118.94 122.32 3hql s TRP 36 Ca 0.05 -1.13 -0.08 0.00 -0.00 0.00 0.00 56.10 54.94 3hql s TRP 36 Cb -0.15 -2.16 -0.04 0.00 -0.00 0.00 0.00 33.47 31.13 3hql s TRP 36 CO 0.03 -0.61 0.10 0.99 -0.00 0.00 0.00 176.95 177.47 3hql s THR 37 N 1.44 4.67 -0.36 5.86 2.01 -1.26 -0.53 115.64 127.47 3hql s THR 37 Ca 0.03 -0.05 -0.10 0.00 0.31 0.00 0.00 61.69 61.88 3hql s THR 37 Cb -0.16 -3.18 0.03 0.00 0.01 0.00 0.00 72.50 69.19 3hql s THR 37 CO -0.01 0.33 0.18 -0.63 -0.69 0.00 0.00 174.62 173.80 3hql s ILE 38 N 1.49 4.36 0.51 1.82 1.01 0.69 -4.97 121.20 126.12 3hql s ILE 38 Ca 0.06 -0.92 -0.16 0.00 0.00 0.00 0.00 60.65 59.63 3hql s ILE 38 Cb -0.15 -3.44 -0.08 0.00 0.01 0.00 0.00 42.46 38.81 3hql s ILE 38 CO 0.05 -0.21 0.98 0.20 0.00 0.00 0.00 174.94 175.97 3hql s ASN 39 N 1.52 6.62 -1.46 3.58 0.02 -1.26 -1.24 114.94 122.72 3hql s ASN 39 Ca 0.01 1.56 -0.09 0.00 -1.02 0.00 0.00 52.86 53.32 3hql s ASN 39 Cb -0.19 -2.51 0.06 0.00 0.02 0.00 0.00 41.25 38.63 3hql s ASN 39 CO 0.06 -0.58 0.87 0.59 0.02 0.00 0.00 177.10 178.06 3hql n ASN 40 N -1.57 -3.50 -0.22 -1.22 3.02 -0.80 -4.86 115.26 106.11 3hql n ASN 40 Ca 0.06 -0.80 0.04 0.00 -0.03 0.00 0.00 54.58 53.85 3hql n ASN 40 Cb 0.54 -3.90 0.30 0.00 -0.61 0.00 0.00 39.78 36.11 3hql n ASN 40 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3hql h PHE 41 N -2.01 0.88 0.00 3.10 3.57 -1.13 -1.30 116.94 120.04 3hql h PHE 41 Ca -0.59 0.02 0.00 0.00 3.53 0.00 0.00 57.97 60.93 3hql h PHE 41 Cb 1.37 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.82 3hql h PHE 41 CO 0.53 0.49 0.00 0.66 -2.23 0.00 0.00 178.31 177.76 3hql h SER 42 N 0.89 0.00 0.36 0.41 4.64 -1.89 -2.08 113.55 115.87 3hql h SER 42 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3hql h SER 42 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3hql h SER 42 CO -0.10 0.00 -0.38 0.49 -0.87 0.00 0.00 176.83 175.97 3hql n PHE 43 N -2.75 0.00 -1.66 4.77 3.01 -0.49 -4.94 117.46 115.40 3hql n PHE 43 Ca -0.00 0.00 -0.53 0.00 1.01 0.00 0.00 57.45 57.92 3hql n PHE 43 Cb 0.17 -0.18 -0.06 0.00 -0.01 0.00 0.00 39.48 39.40 3hql n PHE 43 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hql n ARG 45 N 4.30 2.58 -1.68 0.00 1.74 -1.26 -4.98 116.66 117.36 3hql n ARG 45 Ca 0.22 -2.41 -0.45 0.00 -0.77 0.00 0.00 57.85 54.44 3hql n ARG 45 Cb 0.19 -1.53 -0.04 0.00 -1.02 0.00 0.00 32.46 30.06 3hql n ARG 45 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3hql n GLU 46 N 1.55 2.45 -2.50 5.56 4.71 -1.26 -4.99 120.64 126.16 3hql n GLU 46 Ca 0.21 0.89 -0.24 0.00 -0.01 0.00 0.00 57.16 58.01 3hql n GLU 46 Cb 0.61 -2.73 0.09 0.00 -1.01 0.00 0.00 31.44 28.41 3hql n GLU 46 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3hql s GLU 47 N 2.27 1.84 0.03 3.49 0.41 -1.26 -4.43 118.70 121.06 3hql s GLU 47 Ca 0.83 -0.88 -0.37 0.00 -0.41 0.00 0.00 54.97 54.13 3hql s GLU 47 Cb -0.59 -2.30 -0.17 0.00 -1.78 0.00 0.00 34.13 29.28 3hql s GLU 47 CO 0.40 -1.34 1.36 -0.12 -0.49 0.00 0.00 175.26 175.07 3hql n MET 48 N -2.82 1.03 0.00 1.61 1.56 -1.26 -0.95 117.12 116.30 3hql n MET 48 Ca 0.13 0.37 0.00 0.00 -0.27 0.00 0.00 57.70 57.93 3hql n MET 48 Cb 0.60 -2.00 0.00 0.00 2.15 0.00 0.00 33.22 33.97 3hql n MET 48 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3hql n GLY 49 N 2.62 2.69 3.81 -5.12 0.00 0.03 -4.98 105.19 104.24 3hql n GLY 49 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 3hql n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hql s GLU 50 N -0.64 4.30 0.08 1.61 2.02 -0.12 -4.99 118.70 120.96 3hql s GLU 50 Ca 0.00 0.99 0.09 0.00 0.02 0.00 0.00 54.97 56.07 3hql s GLU 50 Cb 0.00 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.50 3hql s GLU 50 CO 0.00 0.27 -0.23 0.54 0.02 0.00 0.00 175.26 175.86 3hql s VAL 51 N -1.70 1.87 -0.13 2.63 0.11 -1.26 -4.23 120.40 117.68 3hql s VAL 51 Ca 0.49 -1.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.11 3hql s VAL 51 Cb -0.15 -1.65 -0.01 0.00 -1.53 0.00 0.00 36.38 33.04 3hql s VAL 51 CO 0.20 0.14 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.33 3hql s ILE 52 N -0.95 2.87 0.05 7.04 1.01 0.00 -4.98 121.20 126.24 3hql s ILE 52 Ca 0.09 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.04 3hql s ILE 52 Cb -0.10 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 3hql s ILE 52 CO 0.03 0.53 0.05 -1.59 0.00 0.00 0.00 174.94 173.95 3hql s LYS 53 N 0.42 2.83 0.85 2.79 -2.85 -1.26 -0.87 119.74 121.65 3hql s LYS 53 Ca -0.11 -0.66 -0.12 0.00 -1.00 0.00 0.00 55.97 54.07 3hql s LYS 53 Cb -0.16 -2.70 0.10 0.00 -2.06 0.00 0.00 37.83 33.01 3hql s LYS 53 CO 0.05 0.59 1.17 -1.54 0.10 0.00 0.00 175.35 175.72 3hql s SER 54 N -2.06 4.13 0.79 0.03 1.04 0.21 -5.00 113.70 112.85 3hql s SER 54 Ca 0.25 0.83 -0.13 0.00 0.48 0.00 0.00 55.95 57.38 3hql s SER 54 Cb -0.12 -1.33 0.08 0.00 0.10 0.00 0.00 66.02 64.75 3hql s SER 54 CO 0.17 -2.15 1.16 -0.44 0.98 0.00 0.00 173.24 172.97 3hql s SER 55 N -4.41 3.87 0.54 7.02 0.01 -1.26 -4.66 113.70 114.82 3hql s SER 55 Ca 0.63 2.19 -0.17 0.00 1.31 0.00 0.00 55.95 59.91 3hql s SER 55 Cb -0.12 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.48 3hql s SER 55 CO 0.51 -2.47 1.02 0.42 0.41 0.00 0.00 173.24 173.13 3hql s THR 56 N -2.38 4.11 0.19 1.44 -4.23 -1.26 -4.55 115.64 108.97 3hql s THR 56 Ca 0.69 1.07 -0.06 0.00 -1.18 0.00 0.00 61.69 62.21 3hql s THR 56 Cb -0.24 -3.53 -0.02 0.00 1.34 0.00 0.00 72.50 70.04 3hql s THR 56 CO 0.51 -0.53 0.23 0.72 -0.54 0.00 0.00 174.62 175.02 3hql s PHE 57 N -2.44 0.76 0.24 3.99 -0.12 0.14 -4.93 117.98 115.62 3hql s PHE 57 Ca 0.62 -1.07 -0.01 0.00 -0.05 0.00 0.00 56.93 56.43 3hql s PHE 57 Cb -0.13 -0.26 0.01 0.00 -0.63 0.00 0.00 43.02 42.00 3hql s PHE 57 CO 0.31 -0.72 0.33 -1.13 -0.05 0.00 0.00 175.22 173.96 3hql n SER 58 N -0.26 -0.93 -0.08 1.98 3.41 -1.26 -0.68 113.62 115.81 3hql n SER 58 Ca -0.02 -2.31 -0.15 0.00 -0.26 0.00 0.00 58.87 56.12 3hql n SER 58 Cb 0.64 1.74 -0.12 0.00 -0.26 0.00 0.00 64.21 66.21 3hql n SER 58 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hql h SER 59 N 1.36 0.00 0.00 4.04 4.64 -1.97 -3.46 113.55 118.16 3hql h SER 59 Ca -0.19 -0.79 0.00 0.00 -0.47 0.00 0.00 61.79 60.35 3hql h SER 59 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3hql h SER 59 CO 0.25 1.11 0.00 2.29 -0.87 0.00 0.00 176.83 179.62 3hql n LYS 64 N -4.57 0.00 -3.42 4.77 -0.00 -1.26 -5.02 118.16 108.66 3hql n LYS 64 Ca -0.16 0.02 -0.35 0.00 -0.00 0.00 0.00 58.31 57.82 3hql n LYS 64 Cb 0.51 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 33.98 3hql n LYS 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3hql s LEU 65 N -1.83 4.31 -0.04 -5.58 1.02 -1.26 -4.49 118.68 110.81 3hql s LEU 65 Ca 0.00 0.98 0.03 0.00 0.02 0.00 0.00 54.13 55.16 3hql s LEU 65 Cb 0.00 -3.27 0.01 0.00 0.02 0.00 0.00 46.19 42.94 3hql s LEU 65 CO 0.00 0.09 -0.11 -1.59 0.02 0.00 0.00 176.35 174.75 3hql s LYS 66 N -2.10 1.33 0.23 1.70 -2.85 -0.57 -4.60 119.74 112.88 3hql s LYS 66 Ca 0.38 -0.39 0.10 0.00 -1.00 0.00 0.00 55.97 55.06 3hql s LYS 66 Cb -0.14 -1.18 -0.05 0.00 -2.06 0.00 0.00 37.83 34.40 3hql s LYS 66 CO 0.19 0.11 -0.18 -1.58 0.10 0.00 0.00 175.35 174.00 3hql s TRP 67 N 0.32 2.00 0.18 1.78 0.52 0.15 -0.40 118.94 123.50 3hql s TRP 67 Ca -0.07 -0.45 -0.09 0.00 0.02 0.00 0.00 56.10 55.52 3hql s TRP 67 Cb -0.11 -0.91 -0.01 0.00 -1.15 0.00 0.00 33.47 31.29 3hql s TRP 67 CO 0.02 0.52 0.30 0.00 0.02 0.00 0.00 176.95 177.81 3hql s LEU 69 N -3.00 3.94 -0.02 0.00 1.43 -1.26 -0.23 118.68 119.54 3hql s LEU 69 Ca 0.21 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 3hql s LEU 69 Cb 0.03 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.69 3hql s LEU 69 CO 0.03 0.12 -0.03 0.00 0.23 0.00 0.00 176.35 176.70 3hql s ARG 70 N -2.76 0.49 -0.00 1.70 1.70 -0.64 -0.62 118.95 118.83 3hql s ARG 70 Ca 0.31 -0.08 0.06 0.00 -0.47 0.00 0.00 55.73 55.55 3hql s ARG 70 Cb -0.11 -0.54 -0.02 0.00 -0.57 0.00 0.00 34.95 33.71 3hql s ARG 70 CO 0.24 -0.01 -0.19 0.54 -1.08 0.00 0.00 175.30 174.80 3hql s VAL 71 N 0.50 1.50 -0.44 4.99 0.11 -0.05 -1.33 120.40 125.67 3hql s VAL 71 Ca -0.06 -0.88 -0.09 0.00 -2.93 0.00 0.00 61.98 58.03 3hql s VAL 71 Cb -0.09 -1.26 0.10 0.00 -1.53 0.00 0.00 36.38 33.60 3hql s VAL 71 CO -0.00 0.36 0.29 0.20 -3.33 0.00 0.00 175.10 172.62 3hql s ASN 72 N -0.60 5.63 0.52 3.54 0.01 -0.10 -0.82 114.94 123.12 3hql s ASN 72 Ca 0.07 -1.72 0.21 0.00 -0.71 0.00 0.00 52.86 50.71 3hql s ASN 72 Cb -0.08 -1.98 1.33 0.00 0.41 0.00 0.00 41.25 40.93 3hql s ASN 72 CO -0.00 -0.60 2.07 -0.65 -1.51 0.00 0.00 177.10 176.41 3hql h PRO 73 N 8.39 0.01 -0.35 -0.60 0.11 -1.85 -2.04 132.00 135.67 3hql h PRO 73 Ca -0.21 -0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.66 3hql h PRO 73 Cb 1.08 -0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.01 3hql h PRO 73 CO 0.80 0.00 -0.46 1.63 -0.21 0.00 0.00 178.00 179.76 3hql n LYS 74 N -4.46 2.33 -0.08 1.05 5.02 -1.26 -4.30 118.16 116.46 3hql n LYS 74 Ca 0.04 -3.56 0.01 0.00 -2.02 0.00 0.00 58.31 52.77 3hql n LYS 74 Cb 0.36 -1.90 -0.00 0.00 -0.02 0.00 0.00 35.03 33.46 3hql n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hql n GLY 75 N -0.98 -2.33 0.14 0.72 0.00 -0.54 -4.10 105.19 98.10 3hql n GLY 75 Ca 0.32 -1.45 -0.16 0.00 0.00 0.00 0.00 46.02 44.72 3hql n GLY 75 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hql h LEU 76 N -0.08 0.56 0.00 0.99 5.85 -1.84 0.11 115.31 120.91 3hql h LEU 76 Ca -0.01 -0.52 -0.10 0.00 0.84 0.00 0.00 57.88 58.10 3hql h LEU 76 Cb 0.07 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3hql h LEU 76 CO 0.00 1.35 0.11 -0.90 -0.34 0.00 0.00 178.44 178.66 3hql n ASP 77 N -3.67 -1.65 -0.32 1.25 5.68 -1.26 -3.95 116.55 112.63 3hql n ASP 77 Ca -0.09 -2.42 0.04 0.00 -0.50 0.00 0.00 54.79 51.83 3hql n ASP 77 Cb 0.94 2.83 0.19 0.00 -1.14 0.00 0.00 41.12 43.94 3hql n ASP 77 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3hql h GLU 78 N 0.00 0.84 -0.03 0.11 4.57 -1.94 -0.97 114.58 117.16 3hql h GLU 78 Ca -0.26 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 57.88 3hql h GLU 78 Cb 1.02 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.42 3hql h GLU 78 CO 0.34 0.56 0.02 1.49 -1.18 0.00 0.00 179.01 180.23 3hql h GLU 79 N 0.86 0.00 -0.18 1.92 4.81 -2.00 -2.97 114.58 117.02 3hql h GLU 79 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 3hql h GLU 79 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3hql h GLU 79 CO -0.25 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 176.90 3hql n SER 80 N -4.44 3.23 0.31 1.04 3.41 -0.45 -4.72 113.62 111.99 3hql n SER 80 Ca -0.02 -2.88 0.17 0.00 -0.26 0.00 0.00 58.87 55.87 3hql n SER 80 Cb 0.12 -0.45 0.98 0.00 -0.26 0.00 0.00 64.21 64.60 3hql n SER 80 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3hql h LYS 81 N 1.18 0.00 -0.37 4.33 6.56 -1.16 -1.22 116.57 125.90 3hql h LYS 81 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3hql h LYS 81 Cb 1.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 3hql h LYS 81 CO 0.12 0.00 0.00 -0.25 -2.06 0.00 0.00 179.45 177.26 3hql n ASP 82 N -3.68 2.16 -4.22 0.86 8.00 -1.26 -4.53 116.55 113.87 3hql n ASP 82 Ca -0.03 -1.94 -0.16 0.00 0.71 0.00 0.00 54.79 53.37 3hql n ASP 82 Cb 0.08 -0.24 -0.11 0.00 -0.02 0.00 0.00 41.12 40.83 3hql n ASP 82 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hql s TYR 83 N -1.51 1.24 0.07 1.24 2.02 -0.46 -1.02 117.35 118.93 3hql s TYR 83 Ca 0.29 -0.64 -0.30 0.00 -0.37 0.00 0.00 57.07 56.06 3hql s TYR 83 Cb 0.15 -0.65 -0.05 0.00 -0.40 0.00 0.00 41.96 41.01 3hql s TYR 83 CO 0.21 0.08 0.95 -0.51 -1.57 0.00 0.00 175.55 174.71 3hql s LEU 84 N -2.61 4.46 -0.14 -1.29 1.02 -0.34 -1.46 118.68 118.30 3hql s LEU 84 Ca 0.09 1.72 -0.07 0.00 0.02 0.00 0.00 54.13 55.90 3hql s LEU 84 Cb -0.02 -3.55 -0.04 0.00 0.02 0.00 0.00 46.19 42.59 3hql s LEU 84 CO 0.01 -0.12 0.10 -0.44 0.02 0.00 0.00 176.35 175.93 3hql s SER 85 N 0.31 6.06 -0.05 2.29 0.01 -0.83 -1.19 113.70 120.29 3hql s SER 85 Ca 0.48 0.31 0.00 0.00 1.31 0.00 0.00 55.95 58.04 3hql s SER 85 Cb -0.22 -1.97 0.02 0.00 0.21 0.00 0.00 66.02 64.06 3hql s SER 85 CO 0.29 0.32 -0.02 -0.22 0.41 0.00 0.00 173.24 174.01 3hql s LEU 86 N -0.47 1.04 0.10 2.44 2.96 -0.28 -0.92 118.68 123.55 3hql s LEU 86 Ca 0.11 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 3hql s LEU 86 Cb -0.12 -0.41 -0.04 0.00 0.50 0.00 0.00 46.19 46.13 3hql s LEU 86 CO 0.02 -0.11 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.51 3hql s TYR 87 N 1.30 1.14 -0.19 5.38 2.02 -0.44 -0.71 117.35 125.85 3hql s TYR 87 Ca -0.05 -0.61 -0.08 0.00 -0.37 0.00 0.00 57.07 55.95 3hql s TYR 87 Cb -0.13 -0.62 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 3hql s TYR 87 CO -0.02 0.04 0.09 -1.17 -1.57 0.00 0.00 175.55 172.91 3hql s LEU 88 N -2.37 3.96 -0.11 -1.29 2.96 0.29 -1.62 118.68 120.49 3hql s LEU 88 Ca 0.05 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.12 3hql s LEU 88 Cb -0.04 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 3hql s LEU 88 CO 0.01 0.19 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.85 3hql s LEU 89 N 0.31 2.58 -0.46 -0.68 2.96 0.68 -1.90 118.68 122.17 3hql s LEU 89 Ca 0.05 -0.36 -0.23 0.00 -0.22 0.00 0.00 54.13 53.37 3hql s LEU 89 Cb -0.12 -1.56 0.03 0.00 0.50 0.00 0.00 46.19 45.04 3hql s LEU 89 CO -0.01 0.20 0.82 -0.22 -1.32 0.00 0.00 176.35 175.82 3hql s LEU 90 N 0.16 4.21 -0.07 -0.68 2.96 -0.68 -0.75 118.68 123.83 3hql s LEU 90 Ca -0.08 -0.12 -0.18 0.00 -0.22 0.00 0.00 54.13 53.53 3hql s LEU 90 Cb -0.15 -2.98 -0.29 0.00 0.50 0.00 0.00 46.19 43.26 3hql s LEU 90 CO 0.05 -0.97 0.71 0.58 -1.32 0.00 0.00 176.35 175.41 3hql h VAL 91 N 6.00 1.21 -3.54 1.68 2.07 -1.05 0.46 116.25 123.09 3hql h VAL 91 Ca -0.25 -2.48 -0.22 0.00 0.82 0.00 0.00 66.70 64.58 3hql h VAL 91 Cb 1.08 2.91 -0.28 0.00 -1.52 0.00 0.00 31.29 33.49 3hql h VAL 91 CO 0.98 0.72 -0.64 -0.44 0.02 0.00 0.00 177.57 178.22 3hql s SER 92 N -7.07 -0.07 0.13 0.57 0.01 -0.88 -4.32 113.70 102.07 3hql s SER 92 Ca -0.17 0.15 -0.06 0.00 1.31 0.00 0.00 55.95 57.18 3hql s SER 92 Cb 0.03 0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.42 3hql s SER 92 CO 0.81 -0.04 0.32 0.00 0.41 0.00 0.00 173.24 174.74 3hql n LYS 95 N -0.22 0.00 -0.08 0.00 2.85 -1.26 -4.88 118.16 114.56 3hql n LYS 95 Ca -0.03 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.17 3hql n LYS 95 Cb 0.22 -0.48 0.11 0.00 -0.65 0.00 0.00 35.03 34.24 3hql n LYS 95 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3hql h SER 96 N -0.90 0.76 -5.00 -5.58 4.64 -2.04 -3.45 113.55 101.98 3hql h SER 96 Ca 0.00 -0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.04 3hql h SER 96 Cb 0.00 -0.21 -0.13 0.00 -0.31 0.00 0.00 62.40 61.76 3hql h SER 96 CO 0.00 0.94 0.21 -0.70 -0.87 0.00 0.00 176.83 176.41 3hql s GLU 97 N -4.67 1.26 0.01 4.77 2.56 -1.26 -4.70 118.70 116.66 3hql s GLU 97 Ca -0.09 -0.42 0.01 0.00 0.00 0.00 0.00 54.97 54.47 3hql s GLU 97 Cb 0.13 0.58 -0.01 0.00 2.00 0.00 0.00 34.13 36.84 3hql s GLU 97 CO 0.83 -0.54 -0.04 0.14 -0.56 0.00 0.00 175.26 175.08 3hql s VAL 98 N -3.56 0.30 -0.15 3.70 -7.23 -0.23 -5.00 120.40 108.23 3hql s VAL 98 Ca 0.00 -0.35 -0.10 0.00 -1.81 0.00 0.00 61.98 59.72 3hql s VAL 98 Cb -0.01 -0.29 -0.05 0.00 0.56 0.00 0.00 36.38 36.59 3hql s VAL 98 CO -0.11 -0.04 0.18 -0.13 -0.31 0.00 0.00 175.10 174.68 3hql s ARG 99 N -0.42 3.91 -0.07 4.82 0.52 -1.26 -0.53 118.95 125.92 3hql s ARG 99 Ca -0.02 -0.09 -0.06 0.00 -0.52 0.00 0.00 55.73 55.04 3hql s ARG 99 Cb -0.03 -3.32 0.02 0.00 0.52 0.00 0.00 34.95 32.13 3hql s ARG 99 CO -0.00 0.49 0.17 0.00 0.02 0.00 0.00 175.30 175.98 3hql s ALA 100 N -0.22 -0.43 0.18 2.13 0.00 -0.51 -3.73 121.76 119.18 3hql s ALA 100 Ca 0.13 0.51 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 3hql s ALA 100 Cb -0.12 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 3hql s ALA 100 CO 0.02 -0.09 0.40 0.15 0.00 0.00 0.00 175.76 176.25 3hql s LYS 101 N 0.17 3.59 0.08 0.00 1.02 -0.22 -0.75 119.74 123.63 3hql s LYS 101 Ca -0.01 -0.16 -0.10 0.00 0.02 0.00 0.00 55.97 55.72 3hql s LYS 101 Cb -0.02 -2.82 0.01 0.00 -0.52 0.00 0.00 37.83 34.48 3hql s LYS 101 CO -0.00 0.41 0.23 -0.59 -0.92 0.00 0.00 175.35 174.48 3hql s PHE 102 N -1.79 0.05 -0.03 3.18 -0.12 -1.26 -1.04 117.98 116.98 3hql s PHE 102 Ca 0.41 -0.39 -0.01 0.00 -0.05 0.00 0.00 56.93 56.88 3hql s PHE 102 Cb -0.12 0.01 0.02 0.00 -0.63 0.00 0.00 43.02 42.30 3hql s PHE 102 CO 0.27 -0.53 0.06 0.21 -0.05 0.00 0.00 175.22 175.18 3hql s LYS 103 N -3.41 0.04 0.06 1.99 2.20 -0.30 -0.73 119.74 119.58 3hql s LYS 103 Ca 0.01 0.16 0.08 0.00 -0.36 0.00 0.00 55.97 55.87 3hql s LYS 103 Cb 0.03 -0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.22 3hql s LYS 103 CO -0.09 -0.09 -0.21 -0.06 -0.36 0.00 0.00 175.35 174.54 3hql s PHE 104 N 0.56 2.46 0.24 4.03 0.08 -0.19 -1.09 117.98 124.08 3hql s PHE 104 Ca -0.04 -0.32 -0.07 0.00 0.12 0.00 0.00 56.93 56.62 3hql s PHE 104 Cb -0.06 -1.41 -0.02 0.00 -0.57 0.00 0.00 43.02 40.96 3hql s PHE 104 CO -0.02 0.23 0.33 -1.54 -0.10 0.00 0.00 175.22 174.13 3hql s SER 105 N -1.49 0.09 -0.12 1.36 1.04 0.03 -0.96 113.70 113.65 3hql s SER 105 Ca 0.14 -1.16 -0.01 0.00 0.48 0.00 0.00 55.95 55.40 3hql s SER 105 Cb -0.10 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 3hql s SER 105 CO 0.05 -1.03 -0.09 -0.63 0.98 0.00 0.00 173.24 172.52 3hql s ILE 106 N -4.01 3.44 0.02 -1.02 1.01 -0.29 -0.84 121.20 119.52 3hql s ILE 106 Ca 0.30 -0.54 -0.21 0.00 0.00 0.00 0.00 60.65 60.21 3hql s ILE 106 Cb 0.02 -2.45 -0.06 0.00 0.01 0.00 0.00 42.46 39.98 3hql s ILE 106 CO 0.11 0.53 0.61 -0.76 0.00 0.00 0.00 174.94 175.43 3hql s LEU 107 N 0.05 4.45 0.00 2.97 1.43 -0.19 -0.67 118.68 126.73 3hql s LEU 107 Ca -0.03 1.22 -0.06 0.00 -1.03 0.00 0.00 54.13 54.24 3hql s LEU 107 Cb -0.14 -2.95 0.12 0.00 0.03 0.00 0.00 46.19 43.25 3hql s LEU 107 CO 0.04 0.14 0.72 -0.46 0.23 0.00 0.00 176.35 177.02 3hql n ASN 108 N 2.43 0.39 0.22 2.29 0.23 -0.31 -4.57 115.26 115.95 3hql n ASN 108 Ca -0.07 -1.46 0.15 0.00 -0.53 0.00 0.00 54.58 52.67 3hql n ASN 108 Cb 0.51 -0.52 0.73 0.00 -2.08 0.00 0.00 39.78 38.42 3hql n ASN 108 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hql h ALA 109 N -1.31 1.00 -0.26 -2.53 0.00 -1.91 0.20 119.26 114.46 3hql h ALA 109 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hql h ALA 109 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hql h ALA 109 CO 0.20 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.81 3hql n LYS 110 N -2.63 2.20 -1.00 0.00 -0.00 -1.26 -4.94 118.16 110.54 3hql n LYS 110 Ca -0.00 -1.80 0.00 0.00 -0.00 0.00 0.00 58.31 56.50 3hql n LYS 110 Cb 0.15 -1.47 0.00 0.00 -0.00 0.00 0.00 35.03 33.72 3hql n LYS 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hql n GLY 111 N 1.35 0.55 3.76 2.58 0.00 0.06 -5.02 105.19 108.47 3hql n GLY 111 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3hql n GLY 111 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hql s GLU 112 N -0.07 4.72 0.17 1.61 1.03 -1.26 -4.73 118.70 120.17 3hql s GLU 112 Ca 0.00 1.49 -0.30 0.00 0.03 0.00 0.00 54.97 56.19 3hql s GLU 112 Cb 0.00 -3.09 -0.07 0.00 -0.80 0.00 0.00 34.13 30.16 3hql s GLU 112 CO 0.00 0.38 1.02 -1.21 -1.33 0.00 0.00 175.26 174.12 3hql s GLU 113 N -1.53 4.69 0.08 -4.83 2.02 -1.26 -1.16 118.70 116.71 3hql s GLU 113 Ca 0.45 1.58 -0.02 0.00 0.02 0.00 0.00 54.97 57.00 3hql s GLU 113 Cb -0.24 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 3hql s GLU 113 CO 0.31 0.22 0.03 -0.08 0.02 0.00 0.00 175.26 175.76 3hql s THR 114 N -0.40 0.17 -1.44 3.63 -1.32 0.16 -4.94 115.64 111.50 3hql s THR 114 Ca 0.46 -1.77 -0.08 0.00 -1.21 0.00 0.00 61.69 59.10 3hql s THR 114 Cb -0.27 -1.67 0.05 0.00 -1.51 0.00 0.00 72.50 69.11 3hql s THR 114 CO 0.33 -0.79 0.82 0.29 -2.21 0.00 0.00 174.62 173.06 3hql n LYS 115 N 0.02 -5.06 -2.77 7.08 4.76 -1.26 -1.13 118.16 119.80 3hql n LYS 115 Ca -0.11 0.59 -0.36 0.00 -2.87 0.00 0.00 58.31 55.55 3hql n LYS 115 Cb 0.62 -5.28 -0.06 0.00 -1.84 0.00 0.00 35.03 28.46 3hql n LYS 115 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hql s ALA 116 N -3.50 3.16 0.01 7.82 0.00 -1.26 -4.48 121.76 123.51 3hql s ALA 116 Ca 0.36 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.88 3hql s ALA 116 Cb -0.18 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 3hql s ALA 116 CO 0.83 0.14 -0.17 -1.64 0.00 0.00 0.00 175.76 174.92 3hql s MET 117 N -2.34 1.30 0.06 0.00 -1.94 -0.13 -4.99 119.30 111.26 3hql s MET 117 Ca 0.53 -0.68 0.04 0.00 -1.71 0.00 0.00 55.69 53.87 3hql s MET 117 Cb -0.17 -1.29 -0.03 0.00 2.01 0.00 0.00 34.83 35.35 3hql s MET 117 CO 0.22 0.35 -0.11 -1.83 -0.01 0.00 0.00 175.02 173.63 3hql s GLU 118 N -0.64 0.68 0.37 2.03 -1.05 -1.26 -1.02 118.70 117.80 3hql s GLU 118 Ca 0.06 -0.85 -0.27 0.00 -0.15 0.00 0.00 54.97 53.76 3hql s GLU 118 Cb -0.07 -0.57 -0.09 0.00 -0.44 0.00 0.00 34.13 32.96 3hql s GLU 118 CO 0.00 0.12 1.19 -1.54 0.95 0.00 0.00 175.26 175.98 3hql s SER 119 N -1.64 6.68 0.00 0.83 1.04 0.09 -4.92 113.70 115.79 3hql s SER 119 Ca -0.06 2.41 0.27 0.00 0.48 0.00 0.00 55.95 59.06 3hql s SER 119 Cb -0.10 -2.62 0.96 0.00 0.10 0.00 0.00 66.02 64.36 3hql s SER 119 CO 0.01 -0.57 1.69 0.00 0.98 0.00 0.00 173.24 175.36 3hql n GLN 120 N 0.40 0.82 -3.91 4.02 1.13 -1.26 -4.77 117.38 113.81 3hql n GLN 120 Ca 0.03 -0.41 -0.10 0.00 -1.94 0.00 0.00 57.00 54.57 3hql n GLN 120 Cb 0.45 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.30 3hql n GLN 120 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 3hql s ARG 121 N -2.46 2.00 0.38 -1.09 1.70 -1.26 -5.15 118.95 113.06 3hql s ARG 121 Ca 0.27 -1.41 -0.25 0.00 -0.47 0.00 0.00 55.73 53.87 3hql s ARG 121 Cb 0.20 0.56 -0.09 0.00 -0.57 0.00 0.00 34.95 35.05 3hql s ARG 121 CO 0.49 -0.90 1.05 0.00 -1.08 0.00 0.00 175.30 174.86 3hql s ALA 122 N -2.97 3.14 0.06 7.88 0.00 -1.26 -4.58 121.76 124.03 3hql s ALA 122 Ca 0.19 0.71 0.06 0.00 0.00 0.00 0.00 51.96 52.92 3hql s ALA 122 Cb -0.04 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 3hql s ALA 122 CO 0.12 -0.17 -0.11 0.71 0.00 0.00 0.00 175.76 176.32 3hql s TYR 123 N -1.59 2.75 -0.39 0.00 2.02 0.07 -4.83 117.35 115.37 3hql s TYR 123 Ca 0.55 -0.14 -0.26 0.00 -0.37 0.00 0.00 57.07 56.85 3hql s TYR 123 Cb -0.23 -1.49 0.02 0.00 -0.40 0.00 0.00 41.96 39.86 3hql s TYR 123 CO 0.29 0.37 0.94 0.50 -1.57 0.00 0.00 175.55 176.08 3hql s ARG 124 N -1.81 3.77 -0.06 -0.62 3.52 -1.26 -1.43 118.95 121.06 3hql s ARG 124 Ca 0.19 0.49 -0.03 0.00 -0.13 0.00 0.00 55.73 56.25 3hql s ARG 124 Cb -0.11 -3.83 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 3hql s ARG 124 CO 0.10 -1.03 0.09 -0.06 -0.81 0.00 0.00 175.30 173.59 3hql s PHE 125 N 3.59 3.38 0.31 5.12 0.40 0.31 -4.97 117.98 126.11 3hql s PHE 125 Ca 0.38 0.31 0.06 0.00 -0.60 0.00 0.00 56.93 57.09 3hql s PHE 125 Cb -0.11 -1.82 -0.06 0.00 0.51 0.00 0.00 43.02 41.54 3hql s PHE 125 CO 0.21 0.60 -0.03 0.14 0.70 0.00 0.00 175.22 176.84 3hql s VAL 126 N -1.09 1.62 -0.08 -0.44 -7.23 -1.26 -1.07 120.40 110.85 3hql s VAL 126 Ca 0.19 -2.09 -0.36 0.00 -1.81 0.00 0.00 61.98 57.91 3hql s VAL 126 Cb -0.12 -2.59 -0.14 0.00 0.56 0.00 0.00 36.38 34.10 3hql s VAL 126 CO 0.09 -0.20 1.75 1.67 -0.31 0.00 0.00 175.10 178.09 3hql n GLN 127 N -0.65 1.81 -0.47 4.82 7.27 -1.26 -1.12 117.38 127.77 3hql n GLN 127 Ca -0.05 0.66 0.00 0.00 0.07 0.00 0.00 57.00 57.69 3hql n GLN 127 Cb 0.64 -2.43 0.00 0.00 2.41 0.00 0.00 30.24 30.86 3hql n GLN 127 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hql n GLY 128 N 4.02 0.75 3.87 1.69 0.00 0.16 -5.03 105.19 110.66 3hql n GLY 128 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 3hql n GLY 128 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hql s LYS 129 N -0.53 3.49 0.27 1.61 2.47 -0.28 -4.89 119.74 121.90 3hql s LYS 129 Ca 0.00 -0.08 0.11 0.00 -1.56 0.00 0.00 55.97 54.44 3hql s LYS 129 Cb 0.00 -3.19 -0.05 0.00 -1.46 0.00 0.00 37.83 33.13 3hql s LYS 129 CO 0.00 0.77 -0.13 0.16 0.16 0.00 0.00 175.35 176.31 3hql s ASP 130 N -1.02 3.92 -0.02 1.43 3.84 -1.26 -1.69 116.67 121.88 3hql s ASP 130 Ca 0.16 -0.89 -0.08 0.00 -0.00 0.00 0.00 52.55 51.74 3hql s ASP 130 Cb -0.12 -0.49 0.01 0.00 -1.38 0.00 0.00 42.92 40.93 3hql s ASP 130 CO 0.05 0.03 0.17 0.26 -0.00 0.00 0.00 175.17 175.68 3hql s TRP 131 N -2.43 -0.04 -1.97 2.11 0.52 -0.80 -4.98 118.94 111.35 3hql s TRP 131 Ca 0.30 0.06 0.00 0.00 0.02 0.00 0.00 56.10 56.48 3hql s TRP 131 Cb -0.06 -0.00 0.00 0.00 -1.15 0.00 0.00 33.47 32.26 3hql s TRP 131 CO 0.17 -0.26 0.00 0.41 0.02 0.00 0.00 176.95 177.29 3hql n GLY 132 N 1.78 -0.66 2.96 0.98 0.00 -1.26 -0.55 105.19 108.44 3hql n GLY 132 Ca -0.20 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 3hql n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hql s PHE 133 N -3.83 2.30 0.34 1.61 0.08 0.11 -4.98 117.98 113.60 3hql s PHE 133 Ca 0.00 -1.55 0.08 0.00 0.12 0.00 0.00 56.93 55.57 3hql s PHE 133 Cb 0.00 -1.57 0.61 0.00 -0.57 0.00 0.00 43.02 41.49 3hql s PHE 133 CO 0.00 -0.73 1.81 -0.22 -0.10 0.00 0.00 175.22 175.98 3hql h LYS 134 N 7.99 0.26 -2.26 0.44 3.64 -1.88 -0.73 116.57 124.03 3hql h LYS 134 Ca -0.25 -0.09 -0.59 0.00 -1.27 0.00 0.00 60.65 58.45 3hql h LYS 134 Cb 1.09 -0.02 -0.42 0.00 -0.41 0.00 0.00 32.23 32.47 3hql h LYS 134 CO 0.45 0.50 -0.63 1.63 -2.27 0.00 0.00 179.45 179.13 3hql n LYS 135 N -4.16 3.05 -0.06 1.90 5.02 -1.26 -3.80 118.16 118.85 3hql n LYS 135 Ca -0.01 -4.81 -0.13 0.00 -2.02 0.00 0.00 58.31 51.34 3hql n LYS 135 Cb 0.36 -2.24 -0.06 0.00 -0.02 0.00 0.00 35.03 33.07 3hql n LYS 135 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3hql h PHE 136 N 3.29 0.52 -2.33 2.13 3.57 -1.19 -3.46 116.94 119.48 3hql h PHE 136 Ca 0.15 -0.16 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 3hql h PHE 136 Cb 0.54 -0.11 -0.21 0.00 2.79 0.00 0.00 35.95 38.96 3hql h PHE 136 CO 0.81 0.80 -0.00 -1.50 -2.23 0.00 0.00 178.31 176.18 3hql s ILE 137 N -4.32 0.01 0.05 1.41 2.07 -1.22 -5.00 121.20 114.20 3hql s ILE 137 Ca -0.14 -0.06 -0.31 0.00 -1.41 0.00 0.00 60.65 58.74 3hql s ILE 137 Cb 0.06 -0.84 -0.07 0.00 0.13 0.00 0.00 42.46 41.74 3hql s ILE 137 CO 0.77 -0.03 1.42 -0.60 -1.91 0.00 0.00 174.94 174.59 3hql s ARG 138 N -0.22 4.29 0.29 3.50 3.52 -1.26 -1.20 118.95 127.86 3hql s ARG 138 Ca -0.04 2.05 0.01 0.00 -0.13 0.00 0.00 55.73 57.62 3hql s ARG 138 Cb -0.03 -3.45 0.55 0.00 -1.56 0.00 0.00 34.95 30.46 3hql s ARG 138 CO 0.03 -0.54 1.85 0.00 -0.81 0.00 0.00 175.30 175.84 3hql h ARG 139 N 7.49 0.97 0.00 5.12 3.08 -1.39 -1.82 114.38 127.83 3hql h ARG 139 Ca -0.40 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3hql h ARG 139 Cb 1.19 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.02 3hql h ARG 139 CO 0.89 0.64 0.00 0.78 -1.07 0.00 0.00 179.97 181.21 3hql h GLY 140 N 1.00 0.00 0.00 0.04 0.00 -1.92 -1.01 103.07 101.19 3hql h GLY 140 Ca 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.67 3hql h GLY 140 CO -0.24 0.00 -0.78 -2.75 0.00 0.00 0.00 176.54 172.77 3hql h PHE 141 N 0.00 0.00 -0.68 5.60 3.57 -1.83 -3.37 116.94 120.23 3hql h PHE 141 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3hql h PHE 141 Cb 0.43 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 3hql h PHE 141 CO 0.00 1.17 0.31 1.25 -2.23 0.00 0.00 178.31 178.81 3hql h LEU 142 N -1.00 0.91 0.00 0.59 5.85 -1.10 -2.71 115.31 117.84 3hql h LEU 142 Ca -0.21 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3hql h LEU 142 Cb 1.10 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3hql h LEU 142 CO -0.12 0.80 0.00 0.18 -0.34 0.00 0.00 178.44 178.96 3hql n LEU 143 N -4.43 0.00 -4.55 2.25 4.77 -0.40 -4.56 117.00 110.08 3hql n LEU 143 Ca 0.05 0.39 -0.43 0.00 -0.03 0.00 0.00 56.01 55.99 3hql n LEU 143 Cb 0.15 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 3hql n LEU 143 CO 0.39 -0.02 0.78 -0.62 -1.33 0.00 0.00 177.39 176.58 3hql s ASP 144 N -2.78 6.42 0.53 -1.43 -1.08 -1.03 -4.91 116.67 112.39 3hql s ASP 144 Ca 0.20 -0.10 0.25 0.00 -0.52 0.00 0.00 52.55 52.39 3hql s ASP 144 Cb 0.19 -2.45 1.47 0.00 -1.46 0.00 0.00 42.92 40.66 3hql s ASP 144 CO 0.47 -1.16 2.11 -0.33 0.52 0.00 0.00 175.17 176.78 3hql h GLU 145 N 9.22 0.00 -0.25 4.34 4.39 -1.87 -1.51 114.58 128.90 3hql h GLU 145 Ca -0.25 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.52 3hql h GLU 145 Cb 1.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 3hql h GLU 145 CO 1.07 0.09 0.25 0.00 -1.16 0.00 0.00 179.01 179.26 3hql h ALA 146 N 1.91 1.96 0.00 3.43 0.00 -1.95 -0.13 119.26 124.48 3hql h ALA 146 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hql h ALA 146 Cb 0.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hql h ALA 146 CO 0.01 -0.38 0.00 0.09 0.00 0.00 0.00 179.25 178.98 3hql n ASN 147 N -3.92 0.00 -0.39 0.00 5.03 -0.57 -4.91 115.26 110.49 3hql n ASN 147 Ca 0.03 0.42 -0.04 0.00 0.87 0.00 0.00 54.58 55.86 3hql n ASN 147 Cb 0.39 -0.46 -0.01 0.00 -1.02 0.00 0.00 39.78 38.67 3hql n ASN 147 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hql n GLY 148 N 0.30 0.57 0.64 7.41 0.00 -0.06 -4.92 105.19 109.12 3hql n GLY 148 Ca 0.05 -0.82 0.07 0.00 0.00 0.00 0.00 46.02 45.33 3hql n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hql n LEU 149 N -0.55 2.39 -2.97 0.99 4.77 -1.26 -4.26 117.00 116.12 3hql n LEU 149 Ca -0.05 -1.14 -0.23 0.00 -0.03 0.00 0.00 56.01 54.55 3hql n LEU 149 Cb 0.26 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3hql n LEU 149 CO 0.07 0.46 0.03 0.18 -1.33 0.00 0.00 177.39 176.80 3hql n LEU 150 N 0.85 3.27 -4.72 2.23 4.77 -1.26 -4.59 117.00 117.54 3hql n LEU 150 Ca 0.10 -5.36 -0.42 0.00 -0.03 0.00 0.00 56.01 50.30 3hql n LEU 150 Cb 0.39 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 3hql n LEU 150 CO 0.10 2.29 1.10 -2.16 -1.33 0.00 0.00 177.39 177.39 3hql s PRO 151 N -3.15 4.29 -1.80 3.23 0.04 -1.24 -0.89 135.00 135.48 3hql s PRO 151 Ca 0.45 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.68 3hql s PRO 151 Cb 0.32 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.67 3hql s PRO 151 CO -0.12 -0.45 0.00 -0.40 0.04 0.00 0.00 177.00 176.07 3hql n ASP 152 N 3.47 -5.60 -1.90 6.66 3.85 -1.26 -2.06 116.55 119.70 3hql n ASP 152 Ca 0.10 0.12 -0.18 0.00 -0.71 0.00 0.00 54.79 54.12 3hql n ASP 152 Cb 0.41 -4.74 -0.02 0.00 -1.35 0.00 0.00 41.12 35.43 3hql n ASP 152 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 3hql n ASP 153 N -1.83 -5.13 -4.47 -1.12 2.03 -0.07 -4.72 116.55 101.24 3hql n ASP 153 Ca -0.23 0.05 -0.33 0.00 0.52 0.00 0.00 54.79 54.80 3hql n ASP 153 Cb 0.67 -4.21 -0.13 0.00 -0.72 0.00 0.00 41.12 36.74 3hql n ASP 153 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3hql s LYS 154 N -4.67 3.10 -0.25 -0.67 1.02 -0.88 -0.84 119.74 116.56 3hql s LYS 154 Ca 0.00 -0.62 -0.11 0.00 0.02 0.00 0.00 55.97 55.27 3hql s LYS 154 Cb 0.00 -2.63 -0.05 0.00 -0.52 0.00 0.00 37.83 34.63 3hql s LYS 154 CO 0.00 0.42 0.17 -1.17 -0.92 0.00 0.00 175.35 173.85 3hql s LEU 155 N -0.17 4.08 -0.28 3.17 2.96 -0.37 -3.72 118.68 124.35 3hql s LEU 155 Ca 0.01 0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 53.95 3hql s LEU 155 Cb -0.13 -2.11 0.02 0.00 0.50 0.00 0.00 46.19 44.47 3hql s LEU 155 CO 0.03 0.03 0.01 -0.89 -1.32 0.00 0.00 176.35 174.21 3hql s THR 156 N 1.30 3.36 0.04 3.68 2.01 -1.26 -0.22 115.64 124.54 3hql s THR 156 Ca 0.07 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.12 3hql s THR 156 Cb -0.14 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 3hql s THR 156 CO 0.07 0.09 0.16 -0.76 -0.69 0.00 0.00 174.62 173.49 3hql s LEU 157 N 1.39 4.19 -0.06 4.42 1.43 0.31 -1.02 118.68 129.33 3hql s LEU 157 Ca 0.00 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 3hql s LEU 157 Cb -0.17 -2.70 0.02 0.00 0.03 0.00 0.00 46.19 43.36 3hql s LEU 157 CO -0.01 0.20 -0.06 0.12 0.23 0.00 0.00 176.35 176.83 3hql s PHE 158 N -1.41 1.04 -0.07 0.29 5.36 -0.02 -0.71 117.98 122.46 3hql s PHE 158 Ca 0.31 -0.37 0.05 0.00 -0.96 0.00 0.00 56.93 55.96 3hql s PHE 158 Cb -0.13 -0.88 -0.01 0.00 -0.34 0.00 0.00 43.02 41.67 3hql s PHE 158 CO 0.23 -0.28 -0.24 0.00 -1.46 0.00 0.00 175.22 173.47 3hql s GLU 160 N 0.01 2.74 -0.02 0.00 2.02 -0.25 -1.11 118.70 122.10 3hql s GLU 160 Ca -0.09 -0.85 0.05 0.00 0.02 0.00 0.00 54.97 54.10 3hql s GLU 160 Cb -0.15 -2.17 -0.01 0.00 0.10 0.00 0.00 34.13 31.90 3hql s GLU 160 CO 0.05 0.25 -0.17 0.08 0.02 0.00 0.00 175.26 175.49 3hql s VAL 161 N 0.16 1.34 -0.10 2.63 1.01 0.69 -1.15 120.40 124.99 3hql s VAL 161 Ca -0.13 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.16 3hql s VAL 161 Cb -0.16 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.10 3hql s VAL 161 CO 0.07 0.38 -0.11 -0.44 0.00 0.00 0.00 175.10 175.00 3hql s SER 162 N -0.22 2.10 -0.18 3.32 0.01 -0.21 -1.24 113.70 117.27 3hql s SER 162 Ca 0.03 -0.33 -0.05 0.00 1.31 0.00 0.00 55.95 56.90 3hql s SER 162 Cb -0.08 -0.90 -0.03 0.00 0.21 0.00 0.00 66.02 65.22 3hql s SER 162 CO 0.00 -0.03 -0.01 -0.69 0.41 0.00 0.00 173.24 172.92 3hql s VAL 163 N 1.16 4.05 0.00 3.43 1.01 0.37 -1.05 120.40 129.37 3hql s VAL 163 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3hql s VAL 163 Cb -0.14 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.43 3hql s VAL 163 CO -0.03 0.46 0.25 1.33 0.00 0.00 0.00 175.10 177.11