#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lql h ASP 2 N 0.00 0.05 -3.37 7.83 3.32 -2.13 -3.43 116.42 118.69 1lql h ASP 2 Ca 0.00 -0.69 -0.60 0.00 0.02 0.00 0.00 57.03 55.76 1lql h ASP 2 Cb 0.00 -0.01 -0.10 0.00 0.22 0.00 0.00 39.33 39.44 1lql h ASP 2 CO 0.00 0.73 0.36 -0.54 -1.72 0.00 0.00 179.24 178.07 1lql s LYS 3 N -3.46 4.13 0.18 3.56 -0.14 -1.26 -5.04 119.74 117.71 1lql s LYS 3 Ca -0.17 0.77 0.06 0.00 -1.36 0.00 0.00 55.97 55.27 1lql s LYS 3 Cb 0.00 -3.66 -0.04 0.00 -1.68 0.00 0.00 37.83 32.46 1lql s LYS 3 CO 0.69 -0.50 0.10 0.15 -0.76 0.00 0.00 175.35 175.03 1lql s LYS 4 N 2.74 2.74 -0.02 1.68 -0.14 -1.26 -5.13 119.74 120.35 1lql s LYS 4 Ca 0.32 -0.98 0.01 0.00 -1.36 0.00 0.00 55.97 53.95 1lql s LYS 4 Cb -0.15 -2.53 0.02 0.00 -1.68 0.00 0.00 37.83 33.48 1lql s LYS 4 CO 0.08 0.46 -0.01 0.71 -0.76 0.00 0.00 175.35 175.84 1lql s TYR 5 N -1.81 0.25 -0.21 3.18 2.02 -1.26 -5.13 117.35 114.39 1lql s TYR 5 Ca 0.30 -0.00 -0.02 0.00 -0.37 0.00 0.00 57.07 56.98 1lql s TYR 5 Cb -0.09 -0.28 0.06 0.00 -0.40 0.00 0.00 41.96 41.24 1lql s TYR 5 CO 0.22 -0.08 0.02 0.34 -1.57 0.00 0.00 175.55 174.49 1lql s ASP 6 N 0.60 3.12 0.25 2.29 -1.08 -1.26 -5.13 116.67 115.46 1lql s ASP 6 Ca -0.06 -0.92 0.09 0.00 -0.52 0.00 0.00 52.55 51.14 1lql s ASP 6 Cb -0.09 -0.70 -0.05 0.00 -1.46 0.00 0.00 42.92 40.62 1lql s ASP 6 CO -0.01 -0.30 -0.14 -0.63 0.52 0.00 0.00 175.17 174.61 1lql s ILE 7 N 1.77 1.98 -0.20 4.11 1.09 -1.26 -4.65 121.20 124.04 1lql s ILE 7 Ca -0.01 -2.25 -0.10 0.00 -1.10 0.00 0.00 60.65 57.18 1lql s ILE 7 Cb -0.17 -2.24 0.07 0.00 -1.06 0.00 0.00 42.46 39.06 1lql s ILE 7 CO -0.09 -0.46 0.48 0.42 -0.10 0.00 0.00 174.94 175.20 1lql s THR 8 N -2.82 -0.13 -0.00 2.92 -4.23 -1.16 -5.02 115.64 105.21 1lql s THR 8 Ca 0.27 0.08 0.08 0.00 -1.18 0.00 0.00 61.69 60.93 1lql s THR 8 Cb -0.01 -0.72 -0.02 0.00 1.34 0.00 0.00 72.50 73.09 1lql s THR 8 CO 0.11 0.03 -0.25 0.00 -0.54 0.00 0.00 174.62 173.97 1lql s ALA 9 N 1.65 2.24 0.03 3.99 0.00 -1.26 -1.01 121.76 127.40 1lql s ALA 9 Ca -0.09 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 50.80 1lql s ALA 9 Cb -0.08 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1lql s ALA 9 CO -0.15 0.54 -0.23 0.08 0.00 0.00 0.00 175.76 176.00 1lql s VAL 10 N -0.68 2.43 -0.38 0.00 1.01 0.04 -4.96 120.40 117.86 1lql s VAL 10 Ca 0.11 -1.26 -0.20 0.00 0.00 0.00 0.00 61.98 60.63 1lql s VAL 10 Cb -0.10 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1lql s VAL 10 CO 0.00 0.38 0.60 -0.22 0.00 0.00 0.00 175.10 175.86 1lql s LEU 11 N -1.26 4.36 0.00 3.92 2.96 -1.26 -1.30 118.68 126.11 1lql s LEU 11 Ca 0.13 -0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 53.92 1lql s LEU 11 Cb -0.10 -2.71 0.16 0.00 0.50 0.00 0.00 46.19 44.04 1lql s LEU 11 CO 0.03 -0.61 1.00 0.59 -1.32 0.00 0.00 176.35 176.04 1lql n ASN 12 N 6.01 0.74 -3.11 3.68 3.02 0.01 -5.00 115.26 120.62 1lql n ASN 12 Ca -0.02 -1.77 -0.17 0.00 -0.03 0.00 0.00 54.58 52.59 1lql n ASN 12 Cb 0.48 -0.70 0.14 0.00 -0.61 0.00 0.00 39.78 39.09 1lql n ASN 12 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1lql n GLU 13 N -2.97 -1.73 -1.36 3.52 1.02 -1.26 -3.47 120.64 114.38 1lql n GLU 13 Ca 0.15 -1.07 -0.13 0.00 -0.02 0.00 0.00 57.16 56.09 1lql n GLU 13 Cb 0.52 -0.89 -0.06 0.00 -0.02 0.00 0.00 31.44 30.99 1lql n GLU 13 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1lql n ASP 14 N -3.88 -3.52 -1.40 1.62 5.68 -1.26 -2.76 116.55 111.04 1lql n ASP 14 Ca 0.09 0.32 -0.11 0.00 -0.50 0.00 0.00 54.79 54.59 1lql n ASP 14 Cb 0.34 -3.25 -0.04 0.00 -1.14 0.00 0.00 41.12 37.03 1lql n ASP 14 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1lql n SER 15 N -0.48 -2.87 -4.89 -1.12 3.41 -1.23 -4.96 113.62 101.48 1lql n SER 15 Ca -0.13 0.26 -0.31 0.00 -0.26 0.00 0.00 58.87 58.43 1lql n SER 15 Cb 0.43 -2.75 -0.05 0.00 -0.26 0.00 0.00 64.21 61.59 1lql n SER 15 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1lql s SER 16 N -1.91 6.54 -0.05 4.04 1.04 -1.11 -4.63 113.70 117.60 1lql s SER 16 Ca 0.00 0.72 0.06 0.00 0.48 0.00 0.00 55.95 57.21 1lql s SER 16 Cb 0.00 -2.14 -0.01 0.00 0.10 0.00 0.00 66.02 63.96 1lql s SER 16 CO 0.00 -0.02 -0.23 -0.04 0.98 0.00 0.00 173.24 173.93 1lql s MET 17 N -2.81 2.50 -0.12 4.02 -1.94 0.16 -0.81 119.30 120.31 1lql s MET 17 Ca 0.44 -0.87 0.00 0.00 -1.71 0.00 0.00 55.69 53.55 1lql s MET 17 Cb -0.12 -2.19 -0.02 0.00 2.01 0.00 0.00 34.83 34.51 1lql s MET 17 CO 0.24 0.44 -0.12 0.95 -0.01 0.00 0.00 175.02 176.52 1lql s THR 18 N -0.30 3.16 0.09 2.05 -4.23 -0.42 0.15 115.64 116.15 1lql s THR 18 Ca 0.01 -0.63 0.02 0.00 -1.18 0.00 0.00 61.69 59.90 1lql s THR 18 Cb -0.13 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 1lql s THR 18 CO 0.02 0.54 0.17 0.00 -0.54 0.00 0.00 174.62 174.81 1lql s ALA 19 N 0.12 3.80 -0.02 3.99 0.00 0.24 -0.78 121.76 129.11 1lql s ALA 19 Ca -0.06 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 50.95 1lql s ALA 19 Cb -0.15 -1.63 0.01 0.00 0.00 0.00 0.00 23.12 21.35 1lql s ALA 19 CO 0.04 0.72 -0.06 0.42 0.00 0.00 0.00 175.76 176.88 1lql s ILE 20 N -1.53 0.57 -0.06 0.00 1.09 -0.18 -1.34 121.20 119.75 1lql s ILE 20 Ca 0.32 -0.24 -0.01 0.00 -1.10 0.00 0.00 60.65 59.62 1lql s ILE 20 Cb -0.12 -0.52 0.03 0.00 -1.06 0.00 0.00 42.46 40.78 1lql s ILE 20 CO 0.25 0.19 0.01 -0.55 -0.10 0.00 0.00 174.94 174.74 1lql s SER 21 N 0.26 1.23 0.39 3.58 0.15 -0.53 -2.97 113.70 115.82 1lql s SER 21 Ca -0.03 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1lql s SER 21 Cb -0.08 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 1lql s SER 21 CO 0.00 -0.17 0.00 0.47 1.20 0.00 0.00 173.24 174.74 1lql n ASP 22 N 4.88 0.00 -1.89 5.45 8.00 -1.26 0.80 116.55 132.53 1lql n ASP 22 Ca -0.12 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.36 1lql n ASP 22 Cb 0.50 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 41.91 1lql n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lql n GLN 23 N 14.00 3.83 -4.15 -1.24 6.02 -1.26 -4.97 117.38 129.61 1lql n GLN 23 Ca 0.00 -2.85 -0.28 0.00 -0.01 0.00 0.00 57.00 53.86 1lql n GLN 23 Cb 0.00 -2.17 -0.07 0.00 1.02 0.00 0.00 30.24 29.02 1lql n GLN 23 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1lql s PHE 24 N -2.74 2.95 -0.03 1.08 0.08 0.24 -5.13 117.98 114.43 1lql s PHE 24 Ca 0.51 -0.08 -0.01 0.00 0.12 0.00 0.00 56.93 57.47 1lql s PHE 24 Cb 0.40 -1.46 0.03 0.00 -0.57 0.00 0.00 43.02 41.42 1lql s PHE 24 CO 0.13 0.50 0.05 -0.65 -0.10 0.00 0.00 175.22 175.16 1lql s GLN 25 N -2.76 0.00 -0.02 0.44 -0.21 -1.26 -1.45 119.66 114.40 1lql s GLN 25 Ca 0.28 0.19 0.08 0.00 0.02 0.00 0.00 55.36 55.92 1lql s GLN 25 Cb -0.10 -0.17 -0.02 0.00 1.00 0.00 0.00 33.01 33.71 1lql s GLN 25 CO 0.19 -0.13 -0.26 0.42 -2.12 0.00 0.00 175.29 173.39 1lql s ILE 26 N 0.85 2.05 -0.21 1.08 1.09 -0.45 -4.97 121.20 120.63 1lql s ILE 26 Ca -0.07 -1.11 -0.04 0.00 -1.10 0.00 0.00 60.65 58.33 1lql s ILE 26 Cb -0.10 -1.70 -0.02 0.00 -1.06 0.00 0.00 42.46 39.59 1lql s ILE 26 CO -0.03 0.58 -0.02 0.42 -0.10 0.00 0.00 174.94 175.79 1lql s THR 27 N -0.59 3.64 0.24 2.92 -4.23 -1.26 0.83 115.64 117.19 1lql s THR 27 Ca 0.09 -0.41 0.08 0.00 -1.18 0.00 0.00 61.69 60.28 1lql s THR 27 Cb -0.10 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 1lql s THR 27 CO -0.01 0.42 0.05 -0.76 -0.54 0.00 0.00 174.62 173.78 1lql s LEU 28 N 1.28 3.39 -0.23 4.79 1.02 0.41 -3.64 118.68 125.70 1lql s LEU 28 Ca 0.04 -0.48 -0.13 0.00 0.02 0.00 0.00 54.13 53.58 1lql s LEU 28 Cb -0.14 -1.94 0.07 0.00 0.02 0.00 0.00 46.19 44.19 1lql s LEU 28 CO -0.00 0.01 0.55 -0.62 0.02 0.00 0.00 176.35 176.31 1lql s ASP 29 N -3.53 -0.74 0.00 2.29 -1.08 -0.31 0.36 116.67 113.66 1lql s ASP 29 Ca 0.31 1.22 0.24 0.00 -0.52 0.00 0.00 52.55 53.80 1lql s ASP 29 Cb -0.08 1.10 0.64 0.00 -1.46 0.00 0.00 42.92 43.12 1lql s ASP 29 CO 0.21 -0.22 1.51 0.00 0.52 0.00 0.00 175.17 177.19 1lql n ALA 30 N 4.31 2.50 -1.44 3.66 0.00 -1.26 -3.68 120.51 124.60 1lql n ALA 30 Ca -0.22 -0.63 -0.33 0.00 0.00 0.00 0.00 53.44 52.27 1lql n ALA 30 Cb 0.57 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 19.08 1lql n ALA 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1lql s ARG 31 N -1.86 2.63 0.71 0.00 0.52 -1.26 -4.99 118.95 114.70 1lql s ARG 31 Ca 0.34 1.37 -0.15 0.00 -0.52 0.00 0.00 55.73 56.77 1lql s ARG 31 Cb 0.20 -1.93 0.03 0.00 0.52 0.00 0.00 34.95 33.77 1lql s ARG 31 CO 0.31 -1.38 1.19 -2.14 0.02 0.00 0.00 175.30 173.29 1lql s PRO 32 N -4.25 2.28 0.13 3.54 0.02 -1.26 -4.53 135.00 130.93 1lql s PRO 32 Ca 0.66 1.70 -0.13 0.00 0.02 0.00 0.00 61.00 63.25 1lql s PRO 32 Cb -0.20 -1.86 0.09 0.00 0.02 0.00 0.00 34.50 32.55 1lql s PRO 32 CO 0.45 -1.71 0.94 1.63 -0.33 0.00 0.00 177.00 177.98 1lql n LYS 33 N -2.63 -0.18 0.00 5.54 5.02 -1.26 -1.48 118.16 123.17 1lql n LYS 33 Ca 0.13 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.35 1lql n LYS 33 Cb 0.50 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1lql n LYS 33 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1lql n HIS 34 N -4.86 0.00 -0.01 2.13 1.44 -1.26 -3.38 115.22 109.28 1lql n HIS 34 Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 1lql n HIS 34 Cb 0.22 -0.21 0.00 0.00 0.12 0.00 0.00 29.99 30.12 1lql n HIS 34 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 1lql n THR 35 N -1.15 0.00 -0.40 0.61 -1.04 -0.55 -5.16 114.28 106.59 1lql n THR 35 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 1lql n THR 35 Cb 0.08 0.14 0.22 0.00 -1.82 0.00 0.00 70.33 68.95 1lql n THR 35 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1lql n ALA 36 N 0.00 -2.81 -0.66 2.41 0.00 -1.14 -5.02 120.51 113.29 1lql n ALA 36 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 52.00 1lql n ALA 36 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1lql n ALA 36 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1lql n LYS 37 N -3.66 -0.01 -1.41 0.00 5.02 -1.26 -5.10 118.16 111.74 1lql n LYS 37 Ca 0.09 -0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.04 1lql n LYS 37 Cb 0.47 -0.67 0.00 0.00 -0.02 0.00 0.00 35.03 34.81 1lql n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lql n GLY 38 N -0.04 0.53 3.74 0.72 0.00 -1.25 -4.81 105.19 104.08 1lql n GLY 38 Ca 0.00 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 1lql n GLY 38 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1lql n PHE 39 N 0.00 2.28 -1.18 1.61 0.99 -1.24 -4.01 117.46 115.92 1lql n PHE 39 Ca 0.00 0.44 -0.30 0.00 -0.00 0.00 0.00 57.45 57.59 1lql n PHE 39 Cb 0.00 -2.37 0.13 0.00 -1.00 0.00 0.00 39.48 36.24 1lql n PHE 39 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1lql s GLY 40 N -0.80 1.63 0.08 1.37 0.00 -1.24 -1.16 107.32 107.20 1lql s GLY 40 Ca 0.69 0.02 -0.34 0.00 0.00 0.00 0.00 44.72 45.08 1lql s GLY 40 CO 0.52 0.49 1.59 -2.55 0.00 0.00 0.00 173.10 173.14 1lql h PRO 41 N -1.51 -0.94 -0.33 2.90 0.11 -1.95 -2.18 132.00 128.11 1lql h PRO 41 Ca -0.48 0.06 0.07 0.00 0.11 0.00 0.00 66.00 65.76 1lql h PRO 41 Cb 1.27 0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.58 1lql h PRO 41 CO 0.53 -0.62 0.23 -0.07 -0.21 0.00 0.00 178.00 177.86 1lql h LEU 42 N -0.97 0.12 0.27 2.35 3.38 -1.97 -1.41 115.31 117.08 1lql h LEU 42 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1lql h LEU 42 Cb 0.82 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1lql h LEU 42 CO 0.01 0.08 -0.14 0.00 0.09 0.00 0.00 178.44 178.49 1lql h ALA 43 N 1.83 -0.37 -0.79 1.53 0.00 -1.81 -1.11 119.26 118.53 1lql h ALA 43 Ca 0.15 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1lql h ALA 43 Cb 0.42 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1lql h ALA 43 CO -0.02 -0.71 0.52 0.00 0.00 0.00 0.00 179.25 179.04 1lql h ALA 44 N 0.36 1.54 -0.35 0.00 0.00 -0.66 0.92 119.26 121.07 1lql h ALA 44 Ca -0.04 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1lql h ALA 44 Cb 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1lql h ALA 44 CO 0.06 0.38 -0.07 1.25 0.00 0.00 0.00 179.25 180.86 1lql h LEU 45 N 0.96 0.67 -1.45 0.00 6.46 -1.11 0.35 115.31 121.19 1lql h LEU 45 Ca 0.32 -0.35 -0.06 0.00 -0.12 0.00 0.00 57.88 57.67 1lql h LEU 45 Cb 0.07 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 1lql h LEU 45 CO -0.10 0.86 -0.25 -0.07 -0.62 0.00 0.00 178.44 178.27 1lql h LEU 46 N 0.46 0.03 -0.10 2.25 3.38 -0.42 0.92 115.31 121.83 1lql h LEU 46 Ca 0.09 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 1lql h LEU 46 Cb 0.56 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1lql h LEU 46 CO 0.03 0.29 -0.90 0.28 0.09 0.00 0.00 178.44 178.23 1lql h SER 47 N 0.03 0.00 0.24 -0.43 0.02 -0.45 -1.04 113.55 111.92 1lql h SER 47 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1lql h SER 47 Cb 0.47 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1lql h SER 47 CO 0.03 0.90 -0.43 1.23 -1.14 0.00 0.00 176.83 177.42 1lql h GLY 48 N 2.91 0.26 0.45 -3.77 0.00 0.91 -0.37 103.07 103.45 1lql h GLY 48 Ca -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1lql h GLY 48 CO 0.12 0.23 -0.03 -2.00 0.00 0.00 0.00 176.54 174.86 1lql h LEU 49 N 0.20 -0.07 -0.16 3.11 6.46 -0.64 -2.75 115.31 121.46 1lql h LEU 49 Ca 0.02 -0.48 0.05 0.00 -0.12 0.00 0.00 57.88 57.35 1lql h LEU 49 Cb 0.84 0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.73 1lql h LEU 49 CO 0.07 0.47 -0.27 0.00 -0.62 0.00 0.00 178.44 178.09 1lql h ALA 50 N 0.24 -0.24 -0.75 1.25 0.00 -1.03 -0.67 119.26 118.05 1lql h ALA 50 Ca -0.01 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.07 1lql h ALA 50 Cb 0.54 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1lql h ALA 50 CO 0.01 -0.72 0.50 0.00 0.00 0.00 0.00 179.25 179.04 1lql h ALA 51 N 0.62 1.98 -0.35 0.00 0.00 -1.12 0.17 119.26 120.56 1lql h ALA 51 Ca 0.11 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1lql h ALA 51 Cb 0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1lql h ALA 51 CO -0.34 -0.17 -0.22 0.00 0.00 0.00 0.00 179.25 178.52 1lql h GLU 53 N 0.59 0.19 -0.19 0.00 4.39 0.55 -0.91 114.58 119.19 1lql h GLU 53 Ca 0.09 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 1lql h GLU 53 Cb 0.69 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1lql h GLU 53 CO 0.05 0.33 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.12 1lql h LEU 54 N 0.01 0.38 0.28 1.33 3.38 -1.00 -2.67 115.31 117.01 1lql h LEU 54 Ca 0.04 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1lql h LEU 54 Cb 0.22 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1lql h LEU 54 CO -0.00 0.66 -0.15 0.00 0.09 0.00 0.00 178.44 179.04 1lql h ALA 55 N 0.73 -0.40 0.00 1.53 0.00 -0.87 -0.84 119.26 119.42 1lql h ALA 55 Ca 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1lql h ALA 55 Cb 0.49 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1lql h ALA 55 CO 0.02 -0.73 -0.07 1.79 0.00 0.00 0.00 179.25 180.26 1lql h THR 56 N -0.40 0.42 -0.11 0.00 1.35 -1.21 -1.14 112.91 111.83 1lql h THR 56 Ca -0.03 -0.36 -0.22 0.00 -0.55 0.00 0.00 66.41 65.25 1lql h THR 56 Cb 0.32 1.25 0.01 0.00 -1.73 0.00 0.00 68.15 68.00 1lql h THR 56 CO 0.04 0.07 -0.77 0.00 -0.25 0.00 0.00 175.52 174.61 1lql h ALA 57 N 1.93 0.24 0.00 6.62 0.00 -1.08 -1.34 119.26 125.62 1lql h ALA 57 Ca -0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 1lql h ALA 57 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1lql h ALA 57 CO 0.01 0.61 -0.19 -0.97 0.00 0.00 0.00 179.25 178.71 1lql h ASN 58 N 0.40 0.00 0.70 0.00 -0.73 -0.32 0.57 115.58 116.20 1lql h ASN 58 Ca -0.07 0.00 -0.23 0.00 1.87 0.00 0.00 56.30 57.87 1lql h ASN 58 Cb 1.42 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.97 1lql h ASN 58 CO 0.16 0.19 -1.43 -0.07 -0.37 0.00 0.00 177.43 175.91 1lql h LEU 59 N 0.00 0.00 0.00 0.34 3.38 -1.06 -3.36 115.31 114.61 1lql h LEU 59 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 1lql h LEU 59 Cb 0.51 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1lql h LEU 59 CO 0.02 0.85 -1.53 0.24 0.09 0.00 0.00 178.44 178.11 1lql h MET 60 N 0.00 0.00 -0.83 1.13 2.86 -1.04 -3.41 114.93 113.64 1lql h MET 60 Ca -0.19 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.53 1lql h MET 60 Cb 1.81 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 33.37 1lql h MET 60 CO 0.08 0.39 -0.49 0.00 1.06 0.00 0.00 176.91 177.94 1lql n ALA 61 N -2.47 -0.53 -0.28 6.32 0.00 0.17 -1.44 120.51 122.29 1lql n ALA 61 Ca -0.13 0.71 0.05 0.00 0.00 0.00 0.00 53.44 54.07 1lql n ALA 61 Cb 0.94 -0.04 0.14 0.00 0.00 0.00 0.00 19.45 20.48 1lql n ALA 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1lql h PRO 62 N 0.00 0.03 0.00 0.00 0.11 -1.78 0.25 132.00 130.61 1lql h PRO 62 Ca 0.13 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.19 1lql h PRO 62 Cb 0.34 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1lql h PRO 62 CO -0.78 0.02 -0.25 0.00 -0.21 0.00 0.00 178.00 176.78 1lql h ALA 63 N 1.80 1.18 -0.01 -0.75 0.00 -1.51 -2.48 119.26 117.48 1lql h ALA 63 Ca 0.42 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1lql h ALA 63 Cb 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1lql h ALA 63 CO -0.79 0.32 -0.46 1.63 0.00 0.00 0.00 179.25 179.94 1lql n LYS 64 N -3.65 0.70 -1.34 0.00 4.76 0.26 -4.95 118.16 113.95 1lql n LYS 64 Ca -0.01 -0.50 -0.07 0.00 -2.87 0.00 0.00 58.31 54.86 1lql n LYS 64 Cb 0.38 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 1lql n LYS 64 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1lql n MET 65 N -0.71 -0.49 -3.00 1.97 2.81 0.62 -5.01 117.12 113.32 1lql n MET 65 Ca 0.09 0.68 -0.40 0.00 -1.81 0.00 0.00 57.70 56.26 1lql n MET 65 Cb 0.38 -4.48 -0.05 0.00 -0.71 0.00 0.00 33.22 28.36 1lql n MET 65 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1lql s ILE 66 N -2.27 4.91 -0.21 2.02 1.09 -0.96 -5.00 121.20 120.79 1lql s ILE 66 Ca 0.00 1.56 -0.06 0.00 -1.10 0.00 0.00 60.65 61.05 1lql s ILE 66 Cb 0.00 -4.09 -0.03 0.00 -1.06 0.00 0.00 42.46 37.28 1lql s ILE 66 CO 0.00 0.29 0.04 0.42 -0.10 0.00 0.00 174.94 175.59 1lql s THR 67 N 0.47 4.35 -0.16 2.92 -4.23 -1.26 -4.39 115.64 113.34 1lql s THR 67 Ca 0.39 -0.18 -0.04 0.00 -1.18 0.00 0.00 61.69 60.69 1lql s THR 67 Cb -0.19 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.64 1lql s THR 67 CO 0.21 0.41 -0.03 -0.63 -0.54 0.00 0.00 174.62 174.04 1lql s ILE 68 N 0.96 3.91 -0.11 2.99 1.01 -1.26 -4.16 121.20 124.54 1lql s ILE 68 Ca 0.03 -0.35 0.13 0.00 0.00 0.00 0.00 60.65 60.46 1lql s ILE 68 Cb -0.14 -2.72 -0.19 0.00 0.01 0.00 0.00 42.46 39.42 1lql s ILE 68 CO 0.02 0.49 0.12 0.59 0.00 0.00 0.00 174.94 176.17 1lql n ASN 69 N 3.60 1.47 -3.71 3.58 5.03 0.35 -4.97 115.26 120.61 1lql n ASN 69 Ca -0.17 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.15 1lql n ASN 69 Cb 0.52 1.07 -0.10 0.00 -1.02 0.00 0.00 39.78 40.26 1lql n ASN 69 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1lql s LYS 70 N -2.53 0.51 -0.08 3.52 -0.14 -1.19 -4.96 119.74 114.87 1lql s LYS 70 Ca -0.07 0.69 -0.04 0.00 -1.36 0.00 0.00 55.97 55.20 1lql s LYS 70 Cb 0.06 0.19 0.04 0.00 -1.68 0.00 0.00 37.83 36.44 1lql s LYS 70 CO 0.60 -0.09 0.18 -1.17 -0.76 0.00 0.00 175.35 174.11 1lql s LEU 71 N 0.56 0.61 0.01 3.17 0.20 -1.26 -0.77 118.68 121.20 1lql s LEU 71 Ca -0.03 0.38 -0.26 0.00 0.69 0.00 0.00 54.13 54.91 1lql s LEU 71 Cb -0.04 0.49 0.06 0.00 -0.43 0.00 0.00 46.19 46.26 1lql s LEU 71 CO -0.03 -0.16 0.59 -1.48 -0.29 0.00 0.00 176.35 174.98 1lql s LEU 72 N 1.21 -0.33 -0.01 -0.68 0.05 -0.97 -5.02 118.68 112.92 1lql s LEU 72 Ca -0.09 0.41 0.03 0.00 0.05 0.00 0.00 54.13 54.53 1lql s LEU 72 Cb -0.11 2.30 -0.00 0.00 -2.05 0.00 0.00 46.19 46.32 1lql s LEU 72 CO -0.07 -0.67 -0.10 -0.32 -0.55 0.00 0.00 176.35 174.65 1lql s MET 73 N -1.87 0.88 -0.20 1.48 1.75 -1.26 -1.08 119.30 119.01 1lql s MET 73 Ca -0.08 -0.34 -0.03 0.00 -1.25 0.00 0.00 55.69 53.98 1lql s MET 73 Cb -0.01 -0.84 -0.01 0.00 2.84 0.00 0.00 34.83 36.81 1lql s MET 73 CO 0.03 0.18 -0.06 1.21 -0.65 0.00 0.00 175.02 175.74 1lql s ASN 74 N -0.08 4.30 -0.08 1.11 3.84 -0.43 -4.94 114.94 118.67 1lql s ASN 74 Ca 0.01 -0.36 0.01 0.00 0.21 0.00 0.00 52.86 52.74 1lql s ASN 74 Cb -0.06 -1.72 -0.03 0.00 -0.55 0.00 0.00 41.25 38.89 1lql s ASN 74 CO -0.00 0.03 -0.09 -0.69 -2.79 0.00 0.00 177.10 173.56 1lql s VAL 75 N 1.18 3.54 0.03 -5.21 1.01 -1.26 0.07 120.40 119.76 1lql s VAL 75 Ca 0.02 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1lql s VAL 75 Cb -0.14 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1lql s VAL 75 CO -0.01 0.58 -0.04 0.42 0.00 0.00 0.00 175.10 176.05 1lql s THR 76 N -0.61 0.25 0.29 3.92 -4.23 0.43 -4.96 115.64 110.73 1lql s THR 76 Ca 0.09 -0.89 -0.15 0.00 -1.18 0.00 0.00 61.69 59.56 1lql s THR 76 Cb -0.12 -0.36 0.01 0.00 1.34 0.00 0.00 72.50 73.38 1lql s THR 76 CO 0.02 -0.41 0.60 -0.83 -0.54 0.00 0.00 174.62 173.45 1lql s GLY 77 N -1.38 0.40 0.01 3.99 0.00 -1.26 0.15 107.32 109.23 1lql s GLY 77 Ca -0.13 -0.74 -0.23 0.00 0.00 0.00 0.00 44.72 43.63 1lql s GLY 77 CO -0.00 -0.44 0.52 -1.35 0.00 0.00 0.00 173.10 171.82 1lql s SER 78 N -3.01 -0.44 0.09 1.64 1.04 -0.25 -4.99 113.70 107.78 1lql s SER 78 Ca 0.18 0.29 -0.07 0.00 0.48 0.00 0.00 55.95 56.84 1lql s SER 78 Cb -0.03 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 1lql s SER 78 CO 0.10 -0.64 0.15 0.00 0.98 0.00 0.00 173.24 173.82 1lql s ARG 79 N -1.93 0.84 -0.02 4.02 1.70 -1.26 -0.53 118.95 121.77 1lql s ARG 79 Ca -0.08 -1.08 -0.14 0.00 -0.47 0.00 0.00 55.73 53.96 1lql s ARG 79 Cb -0.01 0.31 -0.05 0.00 -0.57 0.00 0.00 34.95 34.62 1lql s ARG 79 CO 0.02 -0.25 0.37 -1.12 -1.08 0.00 0.00 175.30 173.24 1lql s SER 80 N -2.90 6.76 -0.11 -2.89 0.01 -1.26 -4.98 113.70 108.33 1lql s SER 80 Ca 0.08 0.90 0.11 0.00 1.31 0.00 0.00 55.95 58.36 1lql s SER 80 Cb 0.06 -2.23 -0.24 0.00 0.21 0.00 0.00 66.02 63.82 1lql s SER 80 CO -0.08 0.33 0.42 0.35 0.41 0.00 0.00 173.24 174.67 1lql n THR 81 N 1.85 1.57 -3.08 1.44 -2.24 -1.26 -4.43 114.28 108.13 1lql n THR 81 Ca -0.15 -0.78 -0.26 0.00 -2.27 0.00 0.00 64.05 60.59 1lql n THR 81 Cb 0.53 -0.99 -0.05 0.00 -2.10 0.00 0.00 70.33 67.71 1lql n THR 81 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1lql n ASN 82 N -3.03 3.91 -4.75 3.42 5.15 -1.26 -5.06 115.26 113.64 1lql n ASN 82 Ca -0.25 -3.55 -0.31 0.00 -0.60 0.00 0.00 54.58 49.87 1lql n ASN 82 Cb 1.08 -0.59 0.10 0.00 -0.53 0.00 0.00 39.78 39.84 1lql n ASN 82 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1lql s PRO 83 N -3.10 2.04 -0.21 1.20 0.04 -1.26 -4.98 135.00 128.74 1lql s PRO 83 Ca 0.46 1.31 0.09 0.00 0.04 0.00 0.00 61.00 62.90 1lql s PRO 83 Cb 0.25 -1.86 -0.19 0.00 0.04 0.00 0.00 34.50 32.74 1lql s PRO 83 CO -0.10 -1.83 -0.08 2.41 0.04 0.00 0.00 177.00 177.44 1lql n THR 84 N -3.50 1.33 -0.23 1.26 -1.04 -1.26 -4.39 114.28 106.45 1lql n THR 84 Ca 0.10 -0.66 -0.06 0.00 -2.04 0.00 0.00 64.05 61.40 1lql n THR 84 Cb 0.52 -0.93 0.04 0.00 -1.82 0.00 0.00 70.33 68.14 1lql n THR 84 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1lql h ASP 85 N 0.00 0.75 0.00 8.00 3.32 -2.03 -3.45 116.42 123.00 1lql h ASP 85 Ca -0.52 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1lql h ASP 85 Cb 1.99 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 41.35 1lql h ASP 85 CO -0.03 0.55 0.00 0.61 -1.72 0.00 0.00 179.24 178.65 1lql n GLY 86 N -1.24 1.02 3.24 2.75 0.00 -1.26 -5.04 105.19 104.66 1lql n GLY 86 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1lql n GLY 86 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lql s TYR 87 N -2.00 3.48 -1.68 1.61 5.04 -1.26 -4.89 117.35 117.65 1lql s TYR 87 Ca 0.00 -1.93 0.29 0.00 -2.44 0.00 0.00 57.07 53.00 1lql s TYR 87 Cb 0.00 -3.60 1.36 0.00 0.35 0.00 0.00 41.96 40.07 1lql s TYR 87 CO 0.00 -0.97 1.94 1.19 -1.34 0.00 0.00 175.55 176.36 1lql n PHE 88 N 4.50 0.00 -1.69 4.97 3.72 -1.26 -4.50 117.46 123.19 1lql n PHE 88 Ca -0.01 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.16 1lql n PHE 88 Cb 0.42 -0.17 0.16 0.00 -0.94 0.00 0.00 39.48 38.95 1lql n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1lql n GLY 89 N 1.24 -1.47 3.71 1.37 0.00 -1.26 -4.61 105.19 104.17 1lql n GLY 89 Ca 0.16 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1lql n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lql s LEU 90 N 0.00 4.36 -0.19 0.99 1.43 -1.26 -4.31 118.68 119.70 1lql s LEU 90 Ca 0.59 2.38 0.13 0.00 -1.03 0.00 0.00 54.13 56.20 1lql s LEU 90 Cb -0.02 -3.58 -0.23 0.00 0.03 0.00 0.00 46.19 42.39 1lql s LEU 90 CO 0.41 -0.72 0.09 0.54 0.23 0.00 0.00 176.35 176.90 1lql n ARG 91 N 4.27 0.68 -3.75 1.70 1.74 0.31 -4.28 116.66 117.33 1lql n ARG 91 Ca 0.13 0.06 -0.14 0.00 -0.77 0.00 0.00 57.85 57.13 1lql n ARG 91 Cb 0.41 -1.56 -0.15 0.00 -1.02 0.00 0.00 32.46 30.15 1lql n ARG 91 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1lql s GLU 92 N -2.51 0.04 -0.09 5.56 2.12 -1.18 -1.04 118.70 121.61 1lql s GLU 92 Ca -0.15 0.31 0.00 0.00 0.36 0.00 0.00 54.97 55.50 1lql s GLU 92 Cb 0.07 -0.22 0.02 0.00 0.26 0.00 0.00 34.13 34.26 1lql s GLU 92 CO 0.78 -0.18 -0.08 -1.50 -0.54 0.00 0.00 175.26 173.75 1lql s ILE 93 N 1.20 0.94 -0.19 -3.70 -1.16 0.22 -1.09 121.20 117.41 1lql s ILE 93 Ca -0.08 -0.28 -0.02 0.00 -0.51 0.00 0.00 60.65 59.75 1lql s ILE 93 Cb -0.12 -0.94 -0.01 0.00 0.61 0.00 0.00 42.46 42.00 1lql s ILE 93 CO -0.05 0.34 -0.09 0.20 -2.81 0.00 0.00 174.94 172.53 1lql s ASN 94 N 1.35 4.09 -0.32 4.50 0.01 0.39 -1.54 114.94 123.42 1lql s ASN 94 Ca -0.02 -0.40 -0.09 0.00 -0.71 0.00 0.00 52.86 51.64 1lql s ASN 94 Cb -0.14 -1.67 0.01 0.00 0.41 0.00 0.00 41.25 39.86 1lql s ASN 94 CO -0.04 0.04 0.14 -0.76 -1.51 0.00 0.00 177.10 174.97 1lql s LEU 95 N 1.10 4.15 -0.39 0.60 1.43 0.16 -0.43 118.68 125.30 1lql s LEU 95 Ca 0.01 -0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 52.34 1lql s LEU 95 Cb -0.15 -1.96 0.07 0.00 0.03 0.00 0.00 46.19 44.19 1lql s LEU 95 CO -0.02 -0.24 0.19 -2.28 0.23 0.00 0.00 176.35 174.24 1lql s HIS 96 N 1.55 3.37 0.34 0.29 2.46 0.11 -2.64 115.29 120.77 1lql s HIS 96 Ca 0.03 -1.72 -0.26 0.00 0.47 0.00 0.00 55.06 53.58 1lql s HIS 96 Cb -0.18 -2.81 -0.10 0.00 -0.13 0.00 0.00 32.58 29.37 1lql s HIS 96 CO 0.05 -0.85 0.96 -1.58 -2.47 0.00 0.00 174.74 170.85 1lql s TRP 97 N 1.35 3.62 -0.23 3.88 0.52 -0.40 -1.31 118.94 126.36 1lql s TRP 97 Ca 0.02 1.76 -0.02 0.00 0.02 0.00 0.00 56.10 57.88 1lql s TRP 97 Cb -0.22 -2.95 0.07 0.00 -1.15 0.00 0.00 33.47 29.22 1lql s TRP 97 CO 0.01 0.07 0.05 -2.00 0.02 0.00 0.00 176.95 175.10 1lql s GLU 98 N -2.15 0.70 -0.15 4.98 2.12 -0.24 0.11 118.70 124.08 1lql s GLU 98 Ca 0.52 -0.62 -0.00 0.00 0.36 0.00 0.00 54.97 55.22 1lql s GLU 98 Cb -0.19 -2.05 -0.01 0.00 0.26 0.00 0.00 34.13 32.14 1lql s GLU 98 CO 0.24 -0.75 -0.13 0.42 -0.54 0.00 0.00 175.26 174.50 1lql s ILE 99 N 1.79 2.92 -0.62 -3.70 1.01 0.16 -2.29 121.20 120.46 1lql s ILE 99 Ca 0.02 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 59.81 1lql s ILE 99 Cb -0.17 -2.24 0.14 0.00 0.01 0.00 0.00 42.46 40.20 1lql s ILE 99 CO -0.14 0.51 0.63 -1.00 0.00 0.00 0.00 174.94 174.95 1lql s HIS 100 N 0.62 3.25 -0.05 3.97 3.76 0.05 0.49 115.29 127.38 1lql s HIS 100 Ca -0.08 -1.31 -0.05 0.00 -0.15 0.00 0.00 55.06 53.47 1lql s HIS 100 Cb -0.16 -3.89 0.01 0.00 1.11 0.00 0.00 32.58 29.66 1lql s HIS 100 CO 0.03 -1.12 0.15 0.45 -0.85 0.00 0.00 174.74 173.40 1lql s SER 101 N 3.38 -0.15 0.21 1.40 0.15 -0.69 -0.49 113.70 117.51 1lql s SER 101 Ca 0.09 0.28 0.25 0.00 0.70 0.00 0.00 55.95 57.27 1lql s SER 101 Cb -0.24 0.31 0.88 0.00 -1.71 0.00 0.00 66.02 65.26 1lql s SER 101 CO 0.02 -0.07 1.76 -0.81 1.20 0.00 0.00 173.24 175.33 1lql n PRO 102 N 2.90 0.22 -0.96 5.44 -0.04 -1.26 -4.34 135.00 136.96 1lql n PRO 102 Ca -0.13 0.28 -0.32 0.00 -0.04 0.00 0.00 63.50 63.29 1lql n PRO 102 Cb 0.59 -1.81 0.14 0.00 -0.04 0.00 0.00 33.50 32.38 1lql n PRO 102 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1lql s ASN 103 N -4.34 3.42 1.06 3.54 0.01 -1.26 -5.01 114.94 112.36 1lql s ASN 103 Ca 0.09 2.21 -0.17 0.00 -0.71 0.00 0.00 52.86 54.28 1lql s ASN 103 Cb 0.12 -2.57 0.23 0.00 0.41 0.00 0.00 41.25 39.43 1lql s ASN 103 CO 0.52 -2.77 1.21 -0.94 -1.51 0.00 0.00 177.10 173.60 1lql s SER 104 N -2.56 2.21 0.00 -1.22 1.04 -1.26 -4.80 113.70 107.12 1lql s SER 104 Ca 0.68 0.52 -0.11 0.00 0.48 0.00 0.00 55.95 57.53 1lql s SER 104 Cb -0.24 -0.72 -0.06 0.00 0.10 0.00 0.00 66.02 65.10 1lql s SER 104 CO 0.54 -3.32 0.83 -0.33 0.98 0.00 0.00 173.24 171.95 1lql h GLU 105 N -2.03 -0.37 -1.04 4.02 5.08 -1.98 0.14 114.58 118.41 1lql h GLU 105 Ca -0.45 0.02 0.29 0.00 -1.00 0.00 0.00 59.36 58.22 1lql h GLU 105 Cb 1.27 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.55 1lql h GLU 105 CO 0.40 -0.24 0.73 1.79 -1.00 0.00 0.00 179.01 180.68 1lql h THR 106 N -0.51 0.49 0.55 1.13 1.35 -1.99 0.30 112.91 114.23 1lql h THR 106 Ca -0.04 -0.03 -0.03 0.00 -0.55 0.00 0.00 66.41 65.76 1lql h THR 106 Cb 0.29 0.40 0.01 0.00 -1.73 0.00 0.00 68.15 67.11 1lql h THR 106 CO 0.06 0.02 -0.26 -0.33 -0.25 0.00 0.00 175.52 174.76 1lql h GLU 107 N 0.09 -0.71 -1.00 4.72 5.08 -1.91 -2.38 114.58 118.46 1lql h GLU 107 Ca 0.51 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 59.08 1lql h GLU 107 Cb 1.88 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 31.19 1lql h GLU 107 CO -0.07 -0.42 0.62 0.82 -1.00 0.00 0.00 179.01 178.97 1lql h ILE 108 N -1.10 0.82 0.29 3.13 1.08 0.13 -0.98 117.51 120.87 1lql h ILE 108 Ca -0.08 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.08 1lql h ILE 108 Cb 0.62 -0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 1lql h ILE 108 CO 0.12 0.16 -0.24 0.50 -0.69 0.00 0.00 178.15 178.00 1lql h LYS 109 N 0.88 -0.50 -0.71 2.37 3.11 -0.49 -1.26 116.57 119.98 1lql h LYS 109 Ca 0.54 0.03 0.11 0.00 -2.81 0.00 0.00 60.65 58.52 1lql h LYS 109 Cb 0.69 0.11 -0.05 0.00 -1.00 0.00 0.00 32.23 31.98 1lql h LYS 109 CO -0.32 -0.33 0.47 0.93 -2.81 0.00 0.00 179.45 177.39 1lql h GLU 110 N -0.51 0.49 0.75 1.90 5.08 -1.15 -1.41 114.58 119.73 1lql h GLU 110 Ca -0.04 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1lql h GLU 110 Cb 0.43 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1lql h GLU 110 CO -0.00 0.32 -0.49 0.35 -1.00 0.00 0.00 179.01 178.19 1lql h PHE 111 N 0.50 -1.33 -0.66 4.33 -0.00 -0.81 -0.50 116.94 118.48 1lql h PHE 111 Ca 0.33 -0.01 0.04 0.00 -0.00 0.00 0.00 57.97 58.33 1lql h PHE 111 Cb 0.62 0.48 -0.05 0.00 -0.00 0.00 0.00 35.95 37.00 1lql h PHE 111 CO -0.00 -0.72 0.39 0.82 -0.00 0.00 0.00 178.31 178.80 1lql h ILE 112 N -1.17 1.04 -0.74 1.41 2.04 -0.64 0.14 117.51 119.60 1lql h ILE 112 Ca -0.10 -0.26 0.10 0.00 1.00 0.00 0.00 64.86 65.60 1lql h ILE 112 Cb 0.95 0.22 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 1lql h ILE 112 CO 0.08 0.14 0.38 0.44 0.00 0.00 0.00 178.15 179.18 1lql h ASP 113 N 0.75 0.50 -0.23 1.72 3.45 -1.12 0.19 116.42 121.70 1lql h ASP 113 Ca 0.27 0.06 0.03 0.00 0.43 0.00 0.00 57.03 57.83 1lql h ASP 113 Cb 0.08 -0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 38.79 1lql h ASP 113 CO -0.13 0.28 0.03 0.15 -1.57 0.00 0.00 179.24 178.00 1lql h PHE 114 N 0.64 0.04 -0.51 4.55 3.04 0.65 -1.35 116.94 124.01 1lql h PHE 114 Ca 0.36 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.32 1lql h PHE 114 Cb 0.38 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.88 1lql h PHE 114 CO -0.10 -0.00 0.28 0.28 -2.02 0.00 0.00 178.31 176.75 1lql h VAL 115 N 0.11 1.17 -0.90 1.41 2.07 0.29 0.32 116.25 120.73 1lql h VAL 115 Ca 0.11 -0.44 0.09 0.00 0.82 0.00 0.00 66.70 67.27 1lql h VAL 115 Cb 0.12 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.37 1lql h VAL 115 CO -0.16 0.18 0.58 0.28 0.02 0.00 0.00 177.57 178.48 1lql h SER 116 N 0.67 0.84 1.42 0.57 0.02 -0.23 1.00 113.55 117.84 1lql h SER 116 Ca 0.18 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1lql h SER 116 Cb 0.05 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 1lql h SER 116 CO -0.03 0.51 -0.16 0.11 -1.14 0.00 0.00 176.83 176.12 1lql h LYS 117 N 0.94 0.00 0.00 3.45 1.57 -0.63 -3.33 116.57 118.57 1lql h LYS 117 Ca 0.41 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.84 1lql h LYS 117 Cb 0.33 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 1lql h LYS 117 CO -0.17 0.16 -2.16 -2.13 -0.57 0.00 0.00 179.45 174.59 1lql n ARG 118 N -3.20 0.67 -2.15 3.15 3.00 0.10 -4.87 116.66 113.36 1lql n ARG 118 Ca 0.02 0.10 -0.42 0.00 -0.00 0.00 0.00 57.85 57.55 1lql n ARG 118 Cb 0.50 -1.61 -0.03 0.00 0.00 0.00 0.00 32.46 31.32 1lql n ARG 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1lql h PRO 120 N 7.65 0.22 -0.19 0.00 0.11 -1.90 -0.11 132.00 137.79 1lql h PRO 120 Ca -0.40 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.74 1lql h PRO 120 Cb 1.19 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1lql h PRO 120 CO 0.90 0.15 -0.04 0.00 -0.21 0.00 0.00 178.00 178.79 1lql h ALA 121 N 1.29 0.13 -0.57 -0.75 0.00 -1.93 0.65 119.26 118.09 1lql h ALA 121 Ca 0.19 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1lql h ALA 121 Cb 0.22 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1lql h ALA 121 CO -0.24 -0.47 0.37 1.25 0.00 0.00 0.00 179.25 180.16 1lql h HIS 122 N 0.01 0.70 -0.72 0.00 6.17 -1.77 -1.33 115.15 118.21 1lql h HIS 122 Ca 0.09 0.02 0.07 0.00 0.71 0.00 0.00 60.37 61.26 1lql h HIS 122 Cb 0.14 -0.23 -0.06 0.00 2.52 0.00 0.00 27.41 29.77 1lql h HIS 122 CO -0.21 0.43 0.40 -0.91 0.71 0.00 0.00 177.93 178.35 1lql h ASN 123 N 0.75 0.57 0.61 3.26 4.21 -0.30 -0.24 115.58 124.44 1lql h ASN 123 Ca 0.21 0.04 -0.03 0.00 1.21 0.00 0.00 56.30 57.73 1lql h ASN 123 Cb -0.06 -0.07 0.01 0.00 -1.12 0.00 0.00 38.32 37.07 1lql h ASN 123 CO -0.06 0.35 -0.30 0.74 -1.29 0.00 0.00 177.43 176.88 1lql h THR 124 N 0.71 0.00 0.00 2.81 2.02 -0.11 -3.03 112.91 115.30 1lql h THR 124 Ca 0.33 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.51 1lql h THR 124 Cb 0.25 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1lql h THR 124 CO -0.21 0.00 0.00 -0.07 0.37 0.00 0.00 175.52 175.61 1lql h LEU 125 N -0.83 0.00 -1.66 2.58 3.38 -1.15 -2.51 115.31 115.13 1lql h LEU 125 Ca -0.08 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1lql h LEU 125 Cb 0.63 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1lql h LEU 125 CO 0.14 0.00 0.24 1.56 0.09 0.00 0.00 178.44 180.47 1lql h GLN 126 N 0.00 0.45 -0.15 1.13 1.08 -0.91 -2.68 115.11 114.03 1lql h GLN 126 Ca 0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1lql h GLN 126 Cb 0.11 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1lql h GLN 126 CO 0.00 0.30 0.00 0.41 -0.95 0.00 0.00 178.83 178.59 1lql n GLY 127 N -1.49 -0.07 0.00 3.46 0.00 -0.95 -4.55 105.19 101.60 1lql n GLY 127 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1lql n GLY 127 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1lql n VAL 128 N 0.03 0.00 0.00 1.61 0.31 -1.01 -4.94 118.33 114.32 1lql n VAL 128 Ca 0.13 1.11 0.00 0.00 -0.01 0.00 0.00 64.34 65.57 1lql n VAL 128 Cb 0.23 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 1lql n VAL 128 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1lql n SER 129 N -0.85 0.00 -0.95 4.52 3.41 -1.26 -4.76 113.62 113.72 1lql n SER 129 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1lql n SER 129 Cb 0.00 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.16 1lql n SER 129 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lql n GLN 130 N -0.99 2.28 -4.40 4.33 6.02 -1.26 -4.87 117.38 118.48 1lql n GLN 130 Ca 0.00 -1.90 -0.27 0.00 -0.01 0.00 0.00 57.00 54.82 1lql n GLN 130 Cb 0.00 -1.48 -0.12 0.00 1.02 0.00 0.00 30.24 29.66 1lql n GLN 130 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1lql s LEU 131 N -1.75 2.47 -0.08 1.08 2.96 -1.26 -4.27 118.68 117.83 1lql s LEU 131 Ca 0.34 -0.81 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1lql s LEU 131 Cb 0.21 -1.23 0.03 0.00 0.50 0.00 0.00 46.19 45.69 1lql s LEU 131 CO 0.31 0.13 -0.02 -0.75 -1.32 0.00 0.00 176.35 174.70 1lql s LYS 132 N -2.54 0.85 -0.29 1.98 2.20 -0.20 -4.92 119.74 116.82 1lql s LYS 132 Ca 0.20 -0.00 -0.10 0.00 -0.36 0.00 0.00 55.97 55.70 1lql s LYS 132 Cb -0.08 -1.10 -0.03 0.00 -1.51 0.00 0.00 37.83 35.10 1lql s LYS 132 CO 0.09 -0.27 0.16 0.42 -0.36 0.00 0.00 175.35 175.40 1lql s ILE 133 N 1.78 4.89 -0.18 5.43 1.01 -1.25 -0.61 121.20 132.27 1lql s ILE 133 Ca 0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.52 1lql s ILE 133 Cb -0.13 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 1lql s ILE 133 CO -0.05 0.20 0.02 0.20 0.00 0.00 0.00 174.94 175.30 1lql s ASN 134 N 1.68 5.20 -0.02 3.58 0.01 -0.59 -5.01 114.94 119.80 1lql s ASN 134 Ca 0.06 -0.05 0.07 0.00 -0.71 0.00 0.00 52.86 52.24 1lql s ASN 134 Cb -0.16 -1.88 -0.02 0.00 0.41 0.00 0.00 41.25 39.60 1lql s ASN 134 CO 0.08 0.15 -0.24 -0.69 -1.51 0.00 0.00 177.10 174.89 1lql s VAL 135 N 0.52 1.87 0.01 1.60 1.01 -1.26 -0.66 120.40 123.48 1lql s VAL 135 Ca 0.00 -1.01 -0.20 0.00 0.00 0.00 0.00 61.98 60.78 1lql s VAL 135 Cb -0.13 -1.56 0.04 0.00 0.00 0.00 0.00 36.38 34.72 1lql s VAL 135 CO 0.02 0.53 0.43 0.54 0.00 0.00 0.00 175.10 176.62 1lql s ASN 136 N -0.49 -0.33 0.07 3.32 4.22 -1.08 -5.02 114.94 115.63 1lql s ASN 136 Ca 0.07 0.17 0.04 0.00 -2.14 0.00 0.00 52.86 51.00 1lql s ASN 136 Cb -0.10 0.41 -0.03 0.00 1.28 0.00 0.00 41.25 42.82 1lql s ASN 136 CO -0.00 -0.59 -0.12 0.54 -2.04 0.00 0.00 177.10 174.89 1lql s VAL 137 N -1.87 0.94 -0.31 3.54 0.11 -1.26 -1.28 120.40 120.27 1lql s VAL 137 Ca -0.09 -1.30 -0.02 0.00 -2.93 0.00 0.00 61.98 57.65 1lql s VAL 137 Cb -0.02 -0.99 0.06 0.00 -1.53 0.00 0.00 36.38 33.90 1lql s VAL 137 CO 0.02 -0.32 0.02 -0.89 -3.33 0.00 0.00 175.10 170.60 1lql s THR 138 N -1.48 2.97 -0.28 5.04 2.01 0.12 -4.93 115.64 119.09 1lql s THR 138 Ca -0.03 -1.49 -0.19 0.00 0.31 0.00 0.00 61.69 60.29 1lql s THR 138 Cb -0.09 -2.76 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 1lql s THR 138 CO 0.01 -0.18 0.54 -0.22 -0.69 0.00 0.00 174.62 174.09 1lql s LEU 139 N 1.23 4.10 -0.20 4.42 0.20 -1.26 -0.66 118.68 126.51 1lql s LEU 139 Ca -0.03 0.46 -0.03 0.00 0.69 0.00 0.00 54.13 55.21 1lql s LEU 139 Cb -0.20 -2.70 -0.01 0.00 -0.43 0.00 0.00 46.19 42.85 1lql s LEU 139 CO -0.02 -0.35 -0.05 -0.69 -0.29 0.00 0.00 176.35 174.95 1lql s VAL 140 N 2.39 3.42 -2.40 1.68 1.01 0.18 -4.97 120.40 121.71 1lql s VAL 140 Ca 0.22 -0.49 0.29 0.00 0.00 0.00 0.00 61.98 62.00 1lql s VAL 140 Cb -0.15 -2.53 0.62 0.00 0.00 0.00 0.00 36.38 34.31 1lql s VAL 140 CO 0.10 0.45 1.84 1.41 0.00 0.00 0.00 175.10 178.90