#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l8s h LEU 2 N 0.00 0.25 -1.76 0.00 6.46 -1.57 0.64 115.31 119.34 1l8s h LEU 2 Ca 0.00 0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1l8s h LEU 2 Cb 0.00 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 1l8s h LEU 2 CO 0.00 0.09 0.10 4.11 -0.62 0.00 0.00 178.44 182.12 1l8s h TRP 3 N 0.42 0.25 -0.38 1.25 5.08 -1.99 0.44 115.95 121.02 1l8s h TRP 3 Ca 0.42 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 60.24 1l8s h TRP 3 Cb 0.65 -0.08 -0.01 0.00 -3.00 0.00 0.00 29.16 26.72 1l8s h TRP 3 CO -0.17 0.18 -0.37 1.96 -1.28 0.00 0.00 178.44 178.75 1l8s h GLN 4 N 0.26 0.93 -0.93 0.12 4.20 -1.31 -1.69 115.11 116.69 1l8s h GLN 4 Ca 0.07 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.29 1l8s h GLN 4 Cb 0.01 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 1l8s h GLN 4 CO -0.01 1.14 0.59 0.35 -0.67 0.00 0.00 178.83 180.23 1l8s h PHE 5 N 0.75 1.20 -0.54 2.96 3.57 -0.45 0.11 116.94 124.53 1l8s h PHE 5 Ca 0.06 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1l8s h PHE 5 Cb 0.97 -0.40 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 1l8s h PHE 5 CO 0.06 0.78 0.31 -0.09 -2.23 0.00 0.00 178.31 177.14 1l8s h ARG 6 N 1.27 0.58 -0.46 1.11 2.43 -0.81 -1.84 114.38 116.66 1l8s h ARG 6 Ca 0.34 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.51 1l8s h ARG 6 Cb -0.10 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.28 1l8s h ARG 6 CO -0.07 0.38 0.23 1.03 -1.51 0.00 0.00 179.97 180.03 1l8s h SER 7 N 0.60 0.33 -0.75 -3.80 0.87 -0.27 -2.44 113.55 108.09 1l8s h SER 7 Ca 0.23 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.87 1l8s h SER 7 Cb 0.08 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 61.96 1l8s h SER 7 CO -0.13 0.23 0.49 0.24 -0.53 0.00 0.00 176.83 177.14 1l8s h MET 8 N 0.46 0.81 -0.01 2.24 2.86 -0.30 0.60 114.93 121.58 1l8s h MET 8 Ca 0.20 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.65 1l8s h MET 8 Cb 0.11 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1l8s h MET 8 CO -0.14 0.53 -0.64 0.82 1.06 0.00 0.00 176.91 178.54 1l8s h ILE 9 N 0.83 1.45 -0.17 -1.22 2.04 -0.88 0.32 117.51 119.88 1l8s h ILE 9 Ca 0.32 -2.16 -0.14 0.00 1.00 0.00 0.00 64.86 63.87 1l8s h ILE 9 Cb 0.19 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1l8s h ILE 9 CO -0.10 0.62 -0.51 0.11 0.00 0.00 0.00 178.15 178.27 1l8s h LYS 10 N 0.04 0.45 -0.15 2.37 1.57 -1.15 0.74 116.57 120.44 1l8s h LYS 10 Ca -0.01 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 1l8s h LYS 10 Cb 1.14 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 1l8s h LYS 10 CO 0.09 0.86 -0.07 0.00 -0.57 0.00 0.00 179.45 179.76 1l8s h ALA 12 N 0.67 0.91 -2.70 0.00 0.00 -0.93 -3.29 119.26 113.93 1l8s h ALA 12 Ca 0.03 -0.17 -0.58 0.00 0.00 0.00 0.00 54.91 54.20 1l8s h ALA 12 Cb 0.53 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 17.89 1l8s h ALA 12 CO 0.02 0.23 -0.82 0.42 0.00 0.00 0.00 179.25 179.10 1l8s s ILE 13 N -3.29 0.31 0.00 0.00 1.01 0.25 -4.91 121.20 114.56 1l8s s ILE 13 Ca 0.04 -1.65 0.00 0.00 0.00 0.00 0.00 60.65 59.04 1l8s s ILE 13 Cb 0.07 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.31 1l8s s ILE 13 CO 0.67 -0.92 0.00 -2.65 0.00 0.00 0.00 174.94 172.04 1l8s n PRO 14 N 4.21 0.00 -0.32 2.79 -0.02 -1.19 -1.86 135.00 138.62 1l8s n PRO 14 Ca 0.08 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.50 1l8s n PRO 14 Cb 0.38 -0.08 0.05 0.00 -0.02 0.00 0.00 33.50 33.83 1l8s n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1l8s n GLY 15 N 0.00 2.64 3.77 -1.23 0.00 -1.26 -4.81 105.19 104.30 1l8s n GLY 15 Ca 0.00 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1l8s n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1l8s s SER 16 N 0.41 5.10 -0.71 1.61 1.04 -0.77 -5.00 113.70 115.38 1l8s s SER 16 Ca 0.15 2.06 -0.04 0.00 0.48 0.00 0.00 55.95 58.60 1l8s s SER 16 Cb 0.12 -2.56 0.18 0.00 0.10 0.00 0.00 66.02 63.87 1l8s s SER 16 CO 0.03 -1.64 0.56 -1.00 0.98 0.00 0.00 173.24 172.17 1l8s s HIS 17 N -2.22 3.54 0.13 5.02 3.76 -1.26 -4.89 115.29 119.37 1l8s s HIS 17 Ca 0.69 -2.70 -0.21 0.00 -0.15 0.00 0.00 55.06 52.68 1l8s s HIS 17 Cb -0.22 -3.29 -0.03 0.00 1.11 0.00 0.00 32.58 30.16 1l8s s HIS 17 CO 0.40 -0.84 1.69 -1.35 -0.85 0.00 0.00 174.74 173.79 1l8s h PRO 18 N 6.89 -0.10 -0.20 8.40 0.11 -1.94 0.22 132.00 145.37 1l8s h PRO 18 Ca 0.04 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.10 1l8s h PRO 18 Cb 0.93 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1l8s h PRO 18 CO 0.74 -0.07 -0.11 -0.07 -0.21 0.00 0.00 178.00 178.29 1l8s h LEU 19 N -0.11 0.30 0.00 2.35 3.38 -1.96 0.10 115.31 119.37 1l8s h LEU 19 Ca 0.09 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1l8s h LEU 19 Cb 0.24 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1l8s h LEU 19 CO -0.22 0.45 -0.27 -0.03 0.09 0.00 0.00 178.44 178.46 1l8s h MET 20 N 0.30 0.00 0.09 1.13 4.05 -1.59 -3.24 114.93 115.68 1l8s h MET 20 Ca 0.06 0.00 -0.35 0.00 -0.28 0.00 0.00 59.70 59.14 1l8s h MET 20 Cb 0.38 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.16 1l8s h MET 20 CO 0.02 0.18 -1.92 -0.25 0.23 0.00 0.00 176.91 175.17 1l8s n ASP 21 N -3.11 2.06 -0.03 1.39 8.00 0.65 -4.76 116.55 120.75 1l8s n ASP 21 Ca 0.03 0.22 0.01 0.00 0.71 0.00 0.00 54.79 55.76 1l8s n ASP 21 Cb 0.61 -0.85 -0.10 0.00 -0.02 0.00 0.00 41.12 40.77 1l8s n ASP 21 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1l8s n PHE 22 N -3.66 0.00 -2.24 1.24 3.72 0.32 -4.81 117.46 112.03 1l8s n PHE 22 Ca -0.34 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.65 1l8s n PHE 22 Cb 0.97 -0.43 -0.03 0.00 -0.94 0.00 0.00 39.48 39.05 1l8s n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1l8s s ASN 23 N -3.93 6.93 -1.19 4.37 3.04 -1.22 -3.30 114.94 119.63 1l8s s ASN 23 Ca -0.05 2.46 -0.02 0.00 0.04 0.00 0.00 52.86 55.28 1l8s s ASN 23 Cb 0.06 -2.62 -0.01 0.00 -1.54 0.00 0.00 41.25 37.13 1l8s s ASN 23 CO 0.52 -0.45 0.89 -3.20 -3.04 0.00 0.00 177.10 171.82 1l8s n ASN 24 N 1.84 -2.94 -4.15 -4.21 5.15 0.90 -4.85 115.26 107.00 1l8s n ASN 24 Ca 0.03 -0.71 -0.28 0.00 -0.60 0.00 0.00 54.58 53.02 1l8s n ASN 24 Cb 0.43 -4.78 -0.16 0.00 -0.53 0.00 0.00 39.78 34.74 1l8s n ASN 24 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1l8s s TYR 25 N -3.45 1.93 0.00 1.20 6.14 -0.68 -0.88 117.35 121.61 1l8s s TYR 25 Ca 0.12 -0.65 0.00 0.00 0.64 0.00 0.00 57.07 57.18 1l8s s TYR 25 Cb -0.02 -1.31 0.00 0.00 0.42 0.00 0.00 41.96 41.04 1l8s s TYR 25 CO 0.76 -0.25 0.00 0.41 0.64 0.00 0.00 175.55 177.11 1l8s n GLY 26 N 3.35 0.99 0.06 8.97 0.00 -0.36 -0.90 105.19 117.30 1l8s n GLY 26 Ca -0.19 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.33 1l8s n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l8s n TYR 28 N -2.27 0.00 -2.70 0.00 4.01 -1.25 -3.24 117.16 111.71 1l8s n TYR 28 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 1l8s n TYR 28 Cb 0.50 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.49 1l8s n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1l8s n GLY 30 N 5.03 0.89 3.95 0.00 0.00 -1.26 -0.07 105.19 113.73 1l8s n GLY 30 Ca 0.07 -1.93 -0.24 0.00 0.00 0.00 0.00 46.02 43.92 1l8s n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1l8s s LEU 31 N 0.00 3.02 0.00 0.99 1.43 -1.26 -4.69 118.68 118.17 1l8s s LEU 31 Ca 0.00 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1l8s s LEU 31 Cb 0.00 -2.89 0.00 0.00 0.03 0.00 0.00 46.19 43.33 1l8s s LEU 31 CO 0.00 -1.45 0.00 0.61 0.23 0.00 0.00 176.35 175.74 1l8s n GLY 32 N -2.68 1.75 2.17 -3.19 0.00 -1.26 -4.90 105.19 97.08 1l8s n GLY 32 Ca 0.09 -0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 1l8s n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l8s n GLY 33 N 0.00 -4.29 3.14 -0.02 0.00 -1.20 -5.01 105.19 97.81 1l8s n GLY 33 Ca 0.00 0.85 -0.10 0.00 0.00 0.00 0.00 46.02 46.76 1l8s n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1l8s s SER 34 N -0.50 0.09 0.00 1.61 0.15 -1.20 -4.97 113.70 108.89 1l8s s SER 34 Ca -0.15 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.10 1l8s s SER 34 Cb 0.01 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1l8s s SER 34 CO 0.49 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1l8s n GLY 35 N 0.90 -1.80 3.63 9.45 0.00 -1.21 -4.72 105.19 111.45 1l8s n GLY 35 Ca -0.20 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 1l8s n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l8s s THR 36 N 0.00 4.86 0.47 2.61 2.01 -1.26 -5.04 115.64 119.29 1l8s s THR 36 Ca 0.00 1.38 -0.24 0.00 0.31 0.00 0.00 61.69 63.14 1l8s s THR 36 Cb 0.00 -4.08 -0.07 0.00 0.01 0.00 0.00 72.50 68.36 1l8s s THR 36 CO 0.00 -0.08 1.34 -2.84 -0.69 0.00 0.00 174.62 172.35 1l8s s PRO 37 N 2.78 3.61 0.00 4.92 0.02 -1.26 -4.82 135.00 140.25 1l8s s PRO 37 Ca 0.32 2.22 0.27 0.00 0.02 0.00 0.00 61.00 63.83 1l8s s PRO 37 Cb -0.15 -2.54 0.88 0.00 0.02 0.00 0.00 34.50 32.71 1l8s s PRO 37 CO 0.09 -0.81 1.67 1.33 -0.33 0.00 0.00 177.00 178.95 1l8s n VAL 38 N -0.38 0.00 -3.67 3.83 0.24 -1.26 -4.89 118.33 112.20 1l8s n VAL 38 Ca 0.06 -0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.32 1l8s n VAL 38 Cb 0.44 -0.11 0.02 0.00 -1.47 0.00 0.00 33.84 32.72 1l8s n VAL 38 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1l8s n ASP 39 N -1.47 -1.41 -0.24 -1.34 5.68 -1.26 -4.99 116.55 111.53 1l8s n ASP 39 Ca 0.07 -1.86 0.02 0.00 -0.50 0.00 0.00 54.79 52.52 1l8s n ASP 39 Cb 0.33 2.32 0.14 0.00 -1.14 0.00 0.00 41.12 42.78 1l8s n ASP 39 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1l8s h GLU 40 N 0.00 0.49 -0.22 0.11 4.81 -1.93 -0.37 114.58 117.48 1l8s h GLU 40 Ca -0.21 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1l8s h GLU 40 Cb 0.86 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1l8s h GLU 40 CO 0.28 0.33 0.13 1.25 -0.73 0.00 0.00 179.01 180.27 1l8s h LEU 41 N 0.51 0.26 -0.72 1.64 5.85 -1.92 -0.72 115.31 120.22 1l8s h LEU 41 Ca 0.36 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.10 1l8s h LEU 41 Cb 0.44 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 1l8s h LEU 41 CO -0.31 0.22 0.41 -0.78 -0.34 0.00 0.00 178.44 177.64 1l8s h ASP 42 N 0.27 0.61 -0.61 1.25 3.58 -1.83 -0.54 116.42 119.15 1l8s h ASP 42 Ca 0.08 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.58 1l8s h ASP 42 Cb 0.01 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 1l8s h ASP 42 CO -0.02 0.38 0.41 0.03 -2.88 0.00 0.00 179.24 177.17 1l8s h ARG 43 N 0.74 0.75 -0.26 0.28 3.08 -0.05 0.70 114.38 119.61 1l8s h ARG 43 Ca 0.32 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.39 1l8s h ARG 43 Cb 0.21 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 1l8s h ARG 43 CO -0.19 0.50 -0.16 0.00 -1.07 0.00 0.00 179.97 179.05 1l8s h GLU 46 N 1.03 0.85 -0.47 0.00 4.81 -0.47 -0.09 114.58 120.24 1l8s h GLU 46 Ca 0.27 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1l8s h GLU 46 Cb -0.07 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1l8s h GLU 46 CO -0.05 0.90 0.15 1.15 -0.73 0.00 0.00 179.01 180.42 1l8s h THR 47 N 0.77 1.22 -0.72 0.32 2.02 -0.44 -1.50 112.91 114.58 1l8s h THR 47 Ca 0.13 -0.74 0.10 0.00 0.77 0.00 0.00 66.41 66.67 1l8s h THR 47 Cb 0.59 0.83 -0.08 0.00 -1.74 0.00 0.00 68.15 67.75 1l8s h THR 47 CO 0.04 0.27 0.34 -0.74 0.37 0.00 0.00 175.52 175.79 1l8s h HIS 48 N 0.62 0.60 -0.63 3.16 -0.00 -0.61 0.51 115.15 118.79 1l8s h HIS 48 Ca 0.15 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.48 1l8s h HIS 48 Cb 0.27 -0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.49 1l8s h HIS 48 CO 0.01 0.18 0.11 -0.44 -0.00 0.00 0.00 177.93 177.80 1l8s h ASP 49 N 0.56 0.98 0.15 3.26 3.32 -0.43 -1.09 116.42 123.15 1l8s h ASP 49 Ca 0.36 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 1l8s h ASP 49 Cb 0.43 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1l8s h ASP 49 CO -0.30 0.97 -0.23 0.78 -1.72 0.00 0.00 179.24 178.74 1l8s h ASN 50 N 0.97 0.15 -0.32 6.45 2.35 -0.65 -2.34 115.58 122.19 1l8s h ASN 50 Ca 0.20 -0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.78 1l8s h ASN 50 Cb 0.40 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1l8s h ASN 50 CO 0.01 0.39 -0.30 0.00 -1.65 0.00 0.00 177.43 175.88 1l8s h TYR 52 N 0.54 0.32 -0.21 0.00 -1.99 -1.15 0.34 116.97 114.81 1l8s h TYR 52 Ca 0.05 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 1l8s h TYR 52 Cb 0.88 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.53 1l8s h TYR 52 CO 0.07 0.65 0.07 0.00 -0.00 0.00 0.00 178.16 178.95 1l8s h ARG 53 N 0.22 0.32 -0.35 4.88 3.08 -1.19 -1.32 114.38 120.03 1l8s h ARG 53 Ca 0.02 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.06 1l8s h ARG 53 Cb 0.84 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 1l8s h ARG 53 CO 0.07 0.39 0.24 -0.44 -1.07 0.00 0.00 179.97 179.16 1l8s h ASP 54 N 0.17 0.19 -0.24 7.04 3.45 -0.85 -0.39 116.42 125.79 1l8s h ASP 54 Ca 0.07 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.53 1l8s h ASP 54 Cb 0.20 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 1l8s h ASP 54 CO -0.00 0.13 0.16 0.00 -1.57 0.00 0.00 179.24 177.95 1l8s h ALA 55 N 1.82 0.30 0.00 3.45 0.00 -0.14 -1.26 119.26 123.43 1l8s h ALA 55 Ca 0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1l8s h ALA 55 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1l8s h ALA 55 CO -0.03 -0.22 -0.28 0.87 0.00 0.00 0.00 179.25 179.59 1l8s h LYS 56 N 0.32 0.00 -0.00 0.00 1.79 -0.01 -1.28 116.57 117.39 1l8s h LYS 56 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1l8s h LYS 56 Cb -0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1l8s h LYS 56 CO -0.02 0.28 -0.06 0.09 -1.08 0.00 0.00 179.45 178.66 1l8s n ASN 57 N -4.16 0.08 -4.70 0.86 5.03 -0.64 -4.85 115.26 106.87 1l8s n ASN 57 Ca -0.02 0.27 -0.42 0.00 0.87 0.00 0.00 54.58 55.28 1l8s n ASN 57 Cb 0.33 -0.37 -0.03 0.00 -1.02 0.00 0.00 39.78 38.70 1l8s n ASN 57 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1l8s s LEU 58 N -2.91 4.33 0.34 3.41 0.20 -0.48 -4.93 118.68 118.63 1l8s s LEU 58 Ca 0.16 1.81 0.07 0.00 0.69 0.00 0.00 54.13 56.87 1l8s s LEU 58 Cb 0.19 -3.57 0.76 0.00 -0.43 0.00 0.00 46.19 43.14 1l8s s LEU 58 CO 0.54 -0.44 1.86 -0.78 -0.29 0.00 0.00 176.35 177.24 1l8s h ASP 59 N 7.00 0.71 0.12 3.68 1.82 -1.90 0.87 116.42 128.72 1l8s h ASP 59 Ca -0.38 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.30 1l8s h ASP 59 Cb 1.19 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.10 1l8s h ASP 59 CO 0.82 0.36 0.00 0.28 -1.61 0.00 0.00 179.24 179.09 1l8s h SER 60 N 0.76 0.00 -0.60 2.28 0.02 -1.92 -0.84 113.55 113.24 1l8s h SER 60 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1l8s h SER 60 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1l8s h SER 60 CO -0.22 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.47 1l8s h LYS 62 N 3.77 0.00 -0.02 0.00 2.10 -1.11 -1.09 116.57 120.22 1l8s h LYS 62 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1l8s h LYS 62 Cb 1.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.71 1l8s h LYS 62 CO 0.21 0.00 -0.05 1.19 -2.00 0.00 0.00 179.45 178.79 1l8s n PHE 63 N -4.10 0.00 -2.99 0.07 3.01 -1.26 -4.67 117.46 107.51 1l8s n PHE 63 Ca 0.04 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.08 1l8s n PHE 63 Cb 0.39 -0.02 -0.05 0.00 -0.01 0.00 0.00 39.48 39.79 1l8s n PHE 63 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1l8s s LEU 64 N -2.09 4.17 -0.14 4.37 2.96 -0.41 -4.88 118.68 122.66 1l8s s LEU 64 Ca 0.34 0.25 0.14 0.00 -0.22 0.00 0.00 54.13 54.64 1l8s s LEU 64 Cb 0.20 -2.96 -0.24 0.00 0.50 0.00 0.00 46.19 43.69 1l8s s LEU 64 CO 0.36 -0.72 0.28 1.33 -1.32 0.00 0.00 176.35 176.28 1l8s n VAL 65 N 5.78 1.49 -0.54 1.68 0.24 -1.26 -4.97 118.33 120.74 1l8s n VAL 65 Ca 0.02 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 1l8s n VAL 65 Cb 0.48 -0.76 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 1l8s n VAL 65 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1l8s n ASP 66 N -2.91 -0.06 -5.00 -1.34 8.00 -1.26 -5.04 116.55 108.94 1l8s n ASP 66 Ca -0.28 -0.54 -0.18 0.00 0.71 0.00 0.00 54.79 54.50 1l8s n ASP 66 Cb 1.11 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 42.23 1l8s n ASP 66 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1l8s s ASN 67 N -1.05 5.57 0.20 -2.24 4.22 -1.26 -4.94 114.94 115.45 1l8s s ASN 67 Ca 0.00 -0.37 0.19 0.00 -2.14 0.00 0.00 52.86 50.54 1l8s s ASN 67 Cb 0.00 -0.65 0.87 0.00 1.28 0.00 0.00 41.25 42.75 1l8s s ASN 67 CO 0.00 -0.85 1.59 -2.65 -2.04 0.00 0.00 177.10 173.15 1l8s n PRO 68 N -1.95 0.13 0.00 3.55 -0.02 -1.26 -1.01 135.00 134.44 1l8s n PRO 68 Ca 0.08 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 62.09 1l8s n PRO 68 Cb 0.59 -1.79 0.36 0.00 -0.02 0.00 0.00 33.50 32.64 1l8s n PRO 68 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1l8s n TYR 69 N -2.04 0.00 0.65 6.00 4.01 -1.26 -1.95 117.16 122.57 1l8s n TYR 69 Ca 0.01 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.87 1l8s n TYR 69 Cb 0.15 -0.45 0.15 0.00 -0.31 0.00 0.00 39.34 38.88 1l8s n TYR 69 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1l8s n THR 70 N -1.45 0.24 -3.21 -0.72 -2.24 -0.18 -1.49 114.28 105.23 1l8s n THR 70 Ca 0.05 -0.62 -0.42 0.00 -2.27 0.00 0.00 64.05 60.79 1l8s n THR 70 Cb 0.17 1.25 -0.08 0.00 -2.10 0.00 0.00 70.33 69.58 1l8s n THR 70 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1l8s s GLU 71 N -1.72 3.41 0.47 -0.78 2.56 -0.82 -4.87 118.70 116.95 1l8s s GLU 71 Ca 0.32 -0.34 -0.18 0.00 0.00 0.00 0.00 54.97 54.78 1l8s s GLU 71 Cb 0.21 -3.88 -0.09 0.00 2.00 0.00 0.00 34.13 32.36 1l8s s GLU 71 CO 0.30 -0.80 0.95 -1.12 -0.56 0.00 0.00 175.26 174.03 1l8s s SER 72 N 1.85 6.73 0.11 -1.70 0.01 -1.26 -0.43 113.70 119.01 1l8s s SER 72 Ca 0.19 1.57 0.02 0.00 1.31 0.00 0.00 55.95 59.04 1l8s s SER 72 Cb -0.15 -2.50 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 1l8s s SER 72 CO 0.15 -0.49 0.06 0.00 0.41 0.00 0.00 173.24 173.38 1l8s n TYR 73 N -1.21 -0.11 -4.58 2.43 0.18 -1.26 -4.81 117.16 107.80 1l8s n TYR 73 Ca 0.06 -0.80 -0.33 0.00 1.88 0.00 0.00 57.90 58.71 1l8s n TYR 73 Cb 0.54 0.05 -0.14 0.00 -0.38 0.00 0.00 39.34 39.41 1l8s n TYR 73 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1l8s s SER 74 N -1.70 4.18 0.10 9.48 0.15 -1.26 -4.94 113.70 119.71 1l8s s SER 74 Ca 0.09 -0.30 -0.15 0.00 0.70 0.00 0.00 55.95 56.29 1l8s s SER 74 Cb 0.00 -1.66 0.03 0.00 -1.71 0.00 0.00 66.02 62.68 1l8s s SER 74 CO 0.06 0.14 0.35 -0.72 1.20 0.00 0.00 173.24 174.27 1l8s s TYR 75 N 0.51 -0.13 0.07 3.44 -0.85 -1.26 -0.39 117.35 118.75 1l8s s TYR 75 Ca -0.07 -0.15 -0.01 0.00 -0.52 0.00 0.00 57.07 56.31 1l8s s TYR 75 Cb -0.15 0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.32 1l8s s TYR 75 CO 0.04 -0.63 -0.01 -1.12 -1.52 0.00 0.00 175.55 172.30 1l8s s SER 76 N -2.63 0.48 0.00 -0.18 0.01 0.25 -4.88 113.70 106.75 1l8s s SER 76 Ca 0.01 -1.04 0.08 0.00 1.31 0.00 0.00 55.95 56.31 1l8s s SER 76 Cb 0.02 0.21 -0.02 0.00 0.21 0.00 0.00 66.02 66.44 1l8s s SER 76 CO -0.10 -0.62 -0.25 0.00 0.41 0.00 0.00 173.24 172.68 1l8s s SER 78 N -0.80 1.12 -1.12 0.00 0.15 0.42 -4.86 113.70 108.61 1l8s s SER 78 Ca 0.10 0.03 -0.25 0.00 0.70 0.00 0.00 55.95 56.53 1l8s s SER 78 Cb -0.10 0.35 0.02 0.00 -1.71 0.00 0.00 66.02 64.59 1l8s s SER 78 CO 0.00 -0.29 0.70 -3.20 1.20 0.00 0.00 173.24 171.65 1l8s n ASN 79 N 5.32 -4.66 -0.04 5.45 2.85 -1.26 -0.02 115.26 122.90 1l8s n ASN 79 Ca -0.05 -1.15 -0.01 0.00 -0.11 0.00 0.00 54.58 53.27 1l8s n ASN 79 Cb 0.50 -2.18 -0.00 0.00 1.24 0.00 0.00 39.78 39.33 1l8s n ASN 79 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1l8s n THR 80 N -4.36 0.00 -3.86 -0.44 -2.24 -1.24 -4.97 114.28 97.17 1l8s n THR 80 Ca -0.14 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.29 1l8s n THR 80 Cb 0.59 -0.48 -0.14 0.00 -2.10 0.00 0.00 70.33 68.21 1l8s n THR 80 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1l8s s GLU 81 N -0.98 3.16 0.06 -0.78 0.41 0.97 -4.28 118.70 117.27 1l8s s GLU 81 Ca 0.00 -0.78 -0.23 0.00 -0.41 0.00 0.00 54.97 53.55 1l8s s GLU 81 Cb 0.00 -3.14 -0.06 0.00 -1.78 0.00 0.00 34.13 29.14 1l8s s GLU 81 CO 0.00 -0.33 0.70 0.42 -0.49 0.00 0.00 175.26 175.55 1l8s s ILE 82 N 1.45 4.70 -0.16 -1.63 1.01 -1.26 0.16 121.20 125.47 1l8s s ILE 82 Ca 0.03 1.49 0.01 0.00 0.00 0.00 0.00 60.65 62.18 1l8s s ILE 82 Cb -0.16 -4.04 0.03 0.00 0.01 0.00 0.00 42.46 38.30 1l8s s ILE 82 CO -0.01 0.44 -0.14 -0.89 0.00 0.00 0.00 174.94 174.34 1l8s s THR 83 N -0.49 1.66 -0.36 2.92 2.01 0.49 -4.97 115.64 116.90 1l8s s THR 83 Ca 0.35 -0.75 -0.25 0.00 0.31 0.00 0.00 61.69 61.34 1l8s s THR 83 Cb -0.20 -1.58 0.01 0.00 0.01 0.00 0.00 72.50 70.74 1l8s s THR 83 CO 0.22 0.42 0.89 0.00 -0.69 0.00 0.00 174.62 175.46 1l8s s ASN 85 N 1.84 6.58 0.61 0.00 3.84 0.47 -4.86 114.94 123.41 1l8s s ASN 85 Ca 0.37 2.76 0.30 0.00 0.21 0.00 0.00 52.86 56.50 1l8s s ASN 85 Cb -0.12 -2.63 1.69 0.00 -0.55 0.00 0.00 41.25 39.64 1l8s s ASN 85 CO 0.18 -0.75 2.07 0.77 -2.79 0.00 0.00 177.10 176.58 1l8s h SER 86 N 4.70 0.00 0.00 -4.21 4.64 -1.95 -1.42 113.55 115.31 1l8s h SER 86 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1l8s h SER 86 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1l8s h SER 86 CO 0.76 0.00 0.10 0.07 -0.87 0.00 0.00 176.83 176.89 1l8s h LYS 87 N 0.00 0.00 -6.71 4.77 2.10 -1.94 -3.43 116.57 111.36 1l8s h LYS 87 Ca 0.08 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.21 1l8s h LYS 87 Cb 0.56 0.00 0.06 0.00 -0.90 0.00 0.00 32.23 31.96 1l8s h LYS 87 CO -0.00 0.00 0.91 -0.80 -2.00 0.00 0.00 179.45 177.56 1l8s s ASN 88 N -4.75 6.45 1.11 7.07 0.01 -0.54 -5.04 114.94 119.26 1l8s s ASN 88 Ca -0.04 2.83 -0.18 0.00 -0.71 0.00 0.00 52.86 54.75 1l8s s ASN 88 Cb 0.11 -2.61 0.26 0.00 0.41 0.00 0.00 41.25 39.41 1l8s s ASN 88 CO 0.33 -0.89 1.23 0.20 -1.51 0.00 0.00 177.10 176.46 1l8s s ASN 89 N 0.82 1.77 0.09 -1.22 0.01 -1.26 -4.64 114.94 110.51 1l8s s ASN 89 Ca 0.68 0.37 -0.30 0.00 -0.71 0.00 0.00 52.86 52.90 1l8s s ASN 89 Cb -0.47 -0.45 -0.15 0.00 0.41 0.00 0.00 41.25 40.59 1l8s s ASN 89 CO 0.39 -3.58 1.65 0.00 -1.51 0.00 0.00 177.10 174.05 1l8s h ALA 90 N -2.22 -0.63 -0.81 0.60 0.00 -1.96 0.15 119.26 114.39 1l8s h ALA 90 Ca -0.44 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 1l8s h ALA 90 Cb 1.25 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 1l8s h ALA 90 CO 0.32 -0.87 0.34 0.00 0.00 0.00 0.00 179.25 179.04 1l8s h GLU 92 N 1.18 0.77 -0.51 0.00 3.07 -1.74 -1.77 114.58 115.58 1l8s h GLU 92 Ca 0.27 -0.33 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1l8s h GLU 92 Cb 0.20 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 1l8s h GLU 92 CO -0.02 0.94 0.28 0.00 -1.40 0.00 0.00 179.01 178.81 1l8s h ALA 93 N 1.05 0.65 -0.38 3.43 0.00 -0.32 0.34 119.26 124.03 1l8s h ALA 93 Ca 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1l8s h ALA 93 Cb 0.77 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1l8s h ALA 93 CO 0.06 0.16 0.17 0.35 0.00 0.00 0.00 179.25 179.99 1l8s h PHE 94 N 0.67 0.56 -0.22 0.00 3.04 -1.05 0.19 116.94 120.13 1l8s h PHE 94 Ca 0.18 -0.03 -0.15 0.00 3.98 0.00 0.00 57.97 61.94 1l8s h PHE 94 Cb 0.04 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.37 1l8s h PHE 94 CO -0.02 0.49 -0.48 0.82 -2.02 0.00 0.00 178.31 177.09 1l8s h ILE 95 N 0.47 1.31 -0.98 1.41 2.04 -1.26 -1.08 117.51 119.43 1l8s h ILE 95 Ca 0.13 -1.70 0.05 0.00 1.00 0.00 0.00 64.86 64.34 1l8s h ILE 95 Cb 0.15 1.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 1l8s h ILE 95 CO -0.01 0.53 0.63 0.00 0.00 0.00 0.00 178.15 179.30 1l8s h ASN 97 N 1.20 0.46 -0.39 0.00 -0.26 -0.19 0.15 115.58 116.55 1l8s h ASN 97 Ca 0.40 -0.23 0.01 0.00 -0.56 0.00 0.00 56.30 55.92 1l8s h ASN 97 Cb 0.06 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.17 1l8s h ASN 97 CO -0.14 0.88 0.26 0.00 -1.06 0.00 0.00 177.43 177.36 1l8s h ASP 99 N 0.52 0.94 -0.21 0.00 3.45 -0.97 -2.36 116.42 117.80 1l8s h ASP 99 Ca 0.15 -0.39 0.01 0.00 0.43 0.00 0.00 57.03 57.22 1l8s h ASP 99 Cb -0.05 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.44 1l8s h ASP 99 CO -0.04 1.13 0.11 -0.09 -1.57 0.00 0.00 179.24 178.78 1l8s h ARG 100 N 0.76 0.23 -0.58 3.56 2.43 -0.75 0.80 114.38 120.83 1l8s h ARG 100 Ca 0.10 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.33 1l8s h ARG 100 Cb 0.76 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.20 1l8s h ARG 100 CO 0.06 0.15 0.27 -0.91 -1.51 0.00 0.00 179.97 178.03 1l8s h ASN 101 N 0.23 0.35 -0.30 -3.80 2.35 -1.04 -0.70 115.58 112.67 1l8s h ASN 101 Ca 0.08 0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.74 1l8s h ASN 101 Cb 0.01 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1l8s h ASN 101 CO -0.05 0.23 -0.33 0.00 -1.65 0.00 0.00 177.43 175.62 1l8s h ALA 102 N 1.34 0.72 -0.25 -0.83 0.00 -1.30 -1.72 119.26 117.23 1l8s h ALA 102 Ca 0.27 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1l8s h ALA 102 Cb 0.24 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1l8s h ALA 102 CO -0.22 0.66 0.04 0.00 0.00 0.00 0.00 179.25 179.73 1l8s h ALA 103 N 0.93 0.25 -0.56 0.00 0.00 0.45 0.20 119.26 120.52 1l8s h ALA 103 Ca 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1l8s h ALA 103 Cb 0.89 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1l8s h ALA 103 CO 0.08 -0.38 0.32 0.82 0.00 0.00 0.00 179.25 180.09 1l8s h ILE 104 N 0.13 1.18 -0.50 0.00 2.04 -1.15 -2.61 117.51 116.60 1l8s h ILE 104 Ca 0.12 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.55 1l8s h ILE 104 Cb 0.12 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1l8s h ILE 104 CO -0.16 0.19 0.31 0.00 0.00 0.00 0.00 178.15 178.49 1l8s h PHE 106 N 0.62 1.15 -0.01 0.00 -1.00 -0.53 -1.52 116.94 115.65 1l8s h PHE 106 Ca 0.19 0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.91 1l8s h PHE 106 Cb -0.01 -0.37 -0.01 0.00 3.61 0.00 0.00 35.95 39.16 1l8s h PHE 106 CO -0.06 0.55 -0.45 0.66 -1.61 0.00 0.00 178.31 177.39 1l8s h SER 107 N 1.08 0.02 0.69 2.17 4.64 -0.35 -3.12 113.55 118.69 1l8s h SER 107 Ca 0.45 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1l8s h SER 107 Cb 0.27 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1l8s h SER 107 CO -0.21 0.47 -1.03 0.29 -0.87 0.00 0.00 176.83 175.48 1l8s n LYS 108 N -4.00 0.45 -2.90 4.77 5.02 -0.69 -4.90 118.16 115.91 1l8s n LYS 108 Ca -0.02 0.04 -0.33 0.00 -2.02 0.00 0.00 58.31 55.99 1l8s n LYS 108 Cb 0.48 -1.70 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 1l8s n LYS 108 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1l8s s ALA 109 N -3.29 3.16 0.42 7.82 0.00 -0.62 -4.99 121.76 124.26 1l8s s ALA 109 Ca 0.01 0.22 -0.25 0.00 0.00 0.00 0.00 51.96 51.95 1l8s s ALA 109 Cb 0.12 -2.99 -0.08 0.00 0.00 0.00 0.00 23.12 20.17 1l8s s ALA 109 CO 0.79 0.16 1.24 -2.14 0.00 0.00 0.00 175.76 175.81 1l8s s PRO 110 N -3.23 3.92 -0.27 0.00 0.02 -1.26 -4.92 135.00 129.25 1l8s s PRO 110 Ca 0.58 2.00 -0.17 0.00 0.02 0.00 0.00 61.00 63.44 1l8s s PRO 110 Cb -0.10 -2.65 -0.03 0.00 0.02 0.00 0.00 34.50 31.74 1l8s s PRO 110 CO 0.17 -0.48 0.46 -0.47 -0.33 0.00 0.00 177.00 176.35 1l8s s TYR 111 N -1.35 3.25 -0.45 6.54 6.14 -1.26 -4.48 117.35 125.74 1l8s s TYR 111 Ca 0.59 0.51 -0.08 0.00 0.64 0.00 0.00 57.07 58.72 1l8s s TYR 111 Cb -0.34 -2.69 0.11 0.00 0.42 0.00 0.00 41.96 39.46 1l8s s TYR 111 CO 0.43 -0.29 0.30 -0.80 0.64 0.00 0.00 175.55 175.83 1l8s s ASN 112 N 1.60 5.59 0.43 4.32 0.02 -1.26 -4.98 114.94 120.67 1l8s s ASN 112 Ca 0.19 -1.84 0.18 0.00 -1.02 0.00 0.00 52.86 50.37 1l8s s ASN 112 Cb -0.16 -1.97 1.11 0.00 0.02 0.00 0.00 41.25 40.26 1l8s s ASN 112 CO 0.10 -0.63 1.86 0.11 0.02 0.00 0.00 177.10 178.56 1l8s h LYS 113 N 8.36 0.36 0.00 -0.60 1.57 -1.99 -0.16 116.57 124.12 1l8s h LYS 113 Ca -0.20 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1l8s h LYS 113 Cb 1.07 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1l8s h LYS 113 CO 0.81 0.24 0.00 -0.85 -0.57 0.00 0.00 179.45 179.08 1l8s n GLU 114 N -4.49 0.05 0.00 3.15 0.00 -1.26 -1.87 120.64 116.22 1l8s n GLU 114 Ca 0.19 0.18 0.13 0.00 0.00 0.00 0.00 57.16 57.66 1l8s n GLU 114 Cb 0.70 -1.58 0.30 0.00 0.00 0.00 0.00 31.44 30.86 1l8s n GLU 114 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1l8s n HIS 115 N -1.68 0.00 -2.52 -1.84 8.25 -0.07 -4.89 115.22 112.48 1l8s n HIS 115 Ca 0.05 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.10 1l8s n HIS 115 Cb 0.26 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.29 1l8s n HIS 115 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1l8s s LYS 116 N -2.26 4.66 -1.32 -0.41 2.47 -0.78 -1.22 119.74 120.87 1l8s s LYS 116 Ca 0.28 1.75 -0.02 0.00 -1.56 0.00 0.00 55.97 56.42 1l8s s LYS 116 Cb 0.20 -3.22 -0.00 0.00 -1.46 0.00 0.00 37.83 33.34 1l8s s LYS 116 CO 0.44 0.22 0.63 -1.71 0.16 0.00 0.00 175.35 175.09 1l8s n ASN 117 N 1.49 -1.30 -4.67 1.43 4.05 -0.06 -4.91 115.26 111.29 1l8s n ASN 117 Ca -0.00 -0.88 -0.30 0.00 0.45 0.00 0.00 54.58 53.84 1l8s n ASN 117 Cb 0.45 -3.75 0.16 0.00 1.23 0.00 0.00 39.78 37.87 1l8s n ASN 117 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1l8s s LEU 118 N -6.71 2.34 -0.98 1.20 1.02 -1.26 -4.96 118.68 109.34 1l8s s LEU 118 Ca 0.04 1.80 -0.20 0.00 0.02 0.00 0.00 54.13 55.80 1l8s s LEU 118 Cb -0.01 -4.16 0.11 0.00 0.02 0.00 0.00 46.19 42.15 1l8s s LEU 118 CO 0.84 -2.98 1.24 -0.62 0.02 0.00 0.00 176.35 174.84 1l8s s ASP 119 N -2.99 6.62 0.46 2.29 2.15 -1.26 -4.86 116.67 119.07 1l8s s ASP 119 Ca 0.65 -1.95 0.15 0.00 0.43 0.00 0.00 52.55 51.84 1l8s s ASP 119 Cb -0.21 -2.45 1.10 0.00 -0.30 0.00 0.00 42.92 41.06 1l8s s ASP 119 CO 0.59 -1.17 2.00 0.71 -0.17 0.00 0.00 175.17 177.13 1l8s h THR 120 N 6.02 0.90 -0.22 1.71 1.35 -1.92 -0.92 112.91 119.82 1l8s h THR 120 Ca 0.18 -0.11 -0.09 0.00 -0.55 0.00 0.00 66.41 65.85 1l8s h THR 120 Cb 1.01 0.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1l8s h THR 120 CO 1.21 0.06 -0.24 0.11 -0.25 0.00 0.00 175.52 176.40 1l8s h LYS 121 N 0.32 0.41 0.00 4.72 6.56 -1.93 -0.88 116.57 125.78 1l8s h LYS 121 Ca 0.24 -0.15 -0.00 0.00 -1.06 0.00 0.00 60.65 59.68 1l8s h LYS 121 Cb 0.52 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 1l8s h LYS 121 CO -0.05 0.63 -0.00 -0.22 -2.06 0.00 0.00 179.45 177.74 1l8s h LYS 122 N 0.36 -0.00 -0.01 3.15 1.63 -1.63 -3.42 116.57 116.65 1l8s h LYS 122 Ca 0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1l8s h LYS 122 Cb 0.63 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1l8s h LYS 122 CO 0.04 0.85 -0.14 0.66 -3.45 0.00 0.00 179.45 177.42 1l8s n TYR 123 N -4.64 0.00 0.18 1.91 4.01 -0.53 -5.13 117.16 112.96 1l8s n TYR 123 Ca -0.09 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.67 1l8s n TYR 123 Cb 0.41 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.46 1l8s n TYR 123 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40