#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d3d s VAL 2 N 0.00 2.86 0.11 2.03 1.01 -1.26 -4.99 120.40 120.17 3d3d s VAL 2 Ca 0.00 0.84 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 3d3d s VAL 2 Cb 0.00 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 3d3d s VAL 2 CO 0.00 0.18 1.14 -0.70 0.00 0.00 0.00 175.10 175.72 3d3d s GLU 3 N -1.85 4.51 -0.28 2.72 2.56 -1.26 -4.95 118.70 120.16 3d3d s GLU 3 Ca 0.50 1.72 -0.14 0.00 0.00 0.00 0.00 54.97 57.05 3d3d s GLU 3 Cb -0.37 -3.32 -0.04 0.00 2.00 0.00 0.00 34.13 32.40 3d3d s GLU 3 CO 0.49 -0.09 0.35 0.42 -0.56 0.00 0.00 175.26 175.87 3d3d s ILE 4 N 0.44 5.19 0.23 -3.70 1.01 -1.26 -5.00 121.20 118.11 3d3d s ILE 4 Ca 0.54 0.48 0.02 0.00 0.00 0.00 0.00 60.65 61.68 3d3d s ILE 4 Cb -0.29 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.51 3d3d s ILE 4 CO 0.32 0.15 0.13 -0.46 0.00 0.00 0.00 174.94 175.07 3d3d n ASN 5 N 5.31 2.00 0.09 3.58 0.23 -1.26 -4.96 115.26 120.24 3d3d n ASN 5 Ca -0.09 -1.86 -0.07 0.00 -0.53 0.00 0.00 54.58 52.03 3d3d n ASN 5 Cb 0.51 0.03 -0.01 0.00 -2.08 0.00 0.00 39.78 38.23 3d3d n ASN 5 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 3d3d h ASN 6 N 0.35 0.13 -0.34 0.53 -1.24 -1.98 -1.07 115.58 111.97 3d3d h ASN 6 Ca -0.16 -0.11 0.02 0.00 0.71 0.00 0.00 56.30 56.76 3d3d h ASN 6 Cb 0.55 -0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.53 3d3d h ASN 6 CO 0.26 0.94 0.17 1.56 -1.29 0.00 0.00 177.43 179.07 3d3d h GLN 7 N 0.05 0.35 -0.28 6.67 1.08 -1.90 0.73 115.11 121.81 3d3d h GLN 7 Ca -0.03 -0.02 -0.11 0.00 -1.45 0.00 0.00 58.65 57.04 3d3d h GLN 7 Cb 1.52 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.86 3d3d h GLN 7 CO 0.12 0.23 -0.29 0.00 -0.95 0.00 0.00 178.83 177.94 3d3d h ARG 8 N 0.36 0.57 -0.36 1.46 3.08 -1.86 0.18 114.38 117.81 3d3d h ARG 8 Ca 0.14 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 3d3d h ARG 8 Cb 0.05 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3d3d h ARG 8 CO -0.10 0.80 0.02 -0.22 -1.07 0.00 0.00 179.97 179.40 3d3d h LYS 9 N 0.50 0.55 0.13 0.04 3.64 -0.53 -0.78 116.57 120.12 3d3d h LYS 9 Ca 0.06 -0.11 -0.30 0.00 -1.27 0.00 0.00 60.65 59.03 3d3d h LYS 9 Cb 0.75 -0.08 0.03 0.00 -0.41 0.00 0.00 32.23 32.52 3d3d h LYS 9 CO 0.06 0.57 -1.27 0.00 -2.27 0.00 0.00 179.45 176.54 3d3d h ALA 10 N 1.49 -0.03 -0.95 5.00 0.00 -0.37 -2.11 119.26 122.29 3d3d h ALA 10 Ca 0.12 -0.78 0.05 0.00 0.00 0.00 0.00 54.91 54.29 3d3d h ALA 10 Cb 0.32 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 3d3d h ALA 10 CO 0.01 0.68 0.62 0.35 0.00 0.00 0.00 179.25 180.91 3d3d h PHE 11 N 0.26 1.15 0.57 0.00 3.57 -0.35 0.22 116.94 122.35 3d3d h PHE 11 Ca -0.20 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.31 3d3d h PHE 11 Cb 1.94 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 40.31 3d3d h PHE 11 CO 0.12 0.63 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.48 3d3d h LEU 12 N 1.16 -0.68 -0.71 0.59 3.38 -1.02 0.20 115.31 118.24 3d3d h LEU 12 Ca 0.39 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.45 3d3d h LEU 12 Cb 0.09 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3d3d h LEU 12 CO -0.14 -0.47 0.41 0.44 0.09 0.00 0.00 178.44 178.77 3d3d h ASP 13 N -0.78 0.62 -0.87 -0.43 3.32 -0.79 0.36 116.42 117.85 3d3d h ASP 13 Ca -0.08 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.07 3d3d h ASP 13 Cb 0.60 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.98 3d3d h ASP 13 CO 0.12 0.40 0.53 -0.03 -1.72 0.00 0.00 179.24 178.55 3d3d h MET 14 N 0.75 0.92 -0.50 3.56 1.85 -0.37 -0.23 114.93 120.91 3d3d h MET 14 Ca 0.31 -0.06 -0.13 0.00 -0.61 0.00 0.00 59.70 59.22 3d3d h MET 14 Cb 0.17 -0.21 -0.01 0.00 0.43 0.00 0.00 31.60 31.98 3d3d h MET 14 CO -0.17 0.61 -0.18 -0.07 -0.40 0.00 0.00 176.91 176.70 3d3d h LEU 15 N 0.94 1.02 -1.63 3.39 3.38 0.84 0.15 115.31 123.41 3d3d h LEU 15 Ca 0.39 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3d3d h LEU 15 Cb 0.24 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3d3d h LEU 15 CO -0.20 1.17 0.34 0.00 0.09 0.00 0.00 178.44 179.84 3d3d h ALA 16 N 0.88 1.89 0.07 1.53 0.00 0.13 0.44 119.26 124.21 3d3d h ALA 16 Ca 0.12 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 3d3d h ALA 16 Cb 0.75 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3d3d h ALA 16 CO 0.06 0.02 -1.11 2.35 0.00 0.00 0.00 179.25 180.57 3d3d h TRP 17 N 0.46 0.28 -0.76 0.00 7.01 -1.00 0.76 115.95 122.70 3d3d h TRP 17 Ca 0.22 -0.20 0.15 0.00 2.11 0.00 0.00 58.89 61.17 3d3d h TRP 17 Cb 0.29 -0.01 -0.10 0.00 -2.10 0.00 0.00 29.16 27.24 3d3d h TRP 17 CO -0.00 1.43 0.28 1.03 -2.79 0.00 0.00 178.44 178.39 3d3d h SER 18 N -0.58 0.22 1.28 2.65 0.87 -0.33 1.09 113.55 118.75 3d3d h SER 18 Ca -0.25 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 3d3d h SER 18 Cb 1.53 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.60 3d3d h SER 18 CO -0.00 0.06 0.00 -0.62 -0.53 0.00 0.00 176.83 175.74 3d3d n GLU 19 N -5.04 0.23 -3.03 2.24 -0.58 0.15 -4.70 120.64 109.92 3d3d n GLU 19 Ca 0.15 0.25 -0.13 0.00 -0.42 0.00 0.00 57.16 57.01 3d3d n GLU 19 Cb 0.44 -1.80 0.05 0.00 -0.57 0.00 0.00 31.44 29.56 3d3d n GLU 19 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3d3d n GLY 20 N 1.01 0.00 0.03 0.62 0.00 0.38 -4.91 105.19 102.31 3d3d n GLY 20 Ca 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 3d3d n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d3d n THR 21 N -3.50 0.37 -3.36 2.61 -2.24 0.25 -4.64 114.28 103.77 3d3d n THR 21 Ca -0.08 -0.26 -0.26 0.00 -2.27 0.00 0.00 64.05 61.19 3d3d n THR 21 Cb 0.57 -0.63 -0.08 0.00 -2.10 0.00 0.00 70.33 68.09 3d3d n THR 21 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3d3d n ASP 22 N -2.16 1.25 -0.12 3.42 4.64 -0.67 -3.00 116.55 119.92 3d3d n ASP 22 Ca -0.09 -2.88 0.02 0.00 -1.38 0.00 0.00 54.79 50.46 3d3d n ASP 22 Cb 0.62 -0.64 0.03 0.00 -1.04 0.00 0.00 41.12 40.09 3d3d n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 3d3d n ASN 23 N 1.59 0.98 0.00 1.67 0.23 -1.26 -3.49 115.26 114.98 3d3d n ASN 23 Ca 0.25 -1.87 0.00 0.00 -0.53 0.00 0.00 54.58 52.43 3d3d n ASN 23 Cb 0.47 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 3d3d n ASN 23 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3d3d n GLY 24 N -0.40 1.13 0.10 4.83 0.00 -1.26 -4.64 105.19 104.95 3d3d n GLY 24 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 3d3d n GLY 24 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3d3d h ARG 25 N 0.00 -0.20 -6.11 1.61 9.65 -1.96 -3.45 114.38 113.91 3d3d h ARG 25 Ca 0.00 0.01 -0.76 0.00 -1.10 0.00 0.00 59.98 58.13 3d3d h ARG 25 Cb 0.00 0.05 0.03 0.00 -1.39 0.00 0.00 29.97 28.66 3d3d h ARG 25 CO 0.00 -0.13 0.50 0.94 2.80 0.00 0.00 179.97 184.08 3d3d n GLN 26 N -3.61 0.61 -2.30 0.20 -0.06 -1.26 -4.92 117.38 106.04 3d3d n GLN 26 Ca -0.03 0.22 -0.38 0.00 -2.00 0.00 0.00 57.00 54.81 3d3d n GLN 26 Cb 0.08 -1.81 -0.02 0.00 -4.06 0.00 0.00 30.24 24.44 3d3d n GLN 26 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 3d3d s LYS 27 N 1.59 4.03 -0.28 3.69 2.47 -1.26 -4.79 119.74 125.20 3d3d s LYS 27 Ca 0.94 1.82 -0.23 0.00 -1.56 0.00 0.00 55.97 56.94 3d3d s LYS 27 Cb -1.18 -2.65 0.09 0.00 -1.46 0.00 0.00 37.83 32.63 3d3d s LYS 27 CO 0.61 -0.33 0.82 -0.08 0.16 0.00 0.00 175.35 176.53 3d3d s THR 28 N -1.43 0.00 -0.49 3.43 -1.32 -1.26 -4.85 115.64 109.71 3d3d s THR 28 Ca 0.58 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.29 3d3d s THR 28 Cb -0.30 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 69.88 3d3d s THR 28 CO 0.38 0.00 1.46 0.03 -2.21 0.00 0.00 174.62 174.28 3d3d h ARG 29 N 5.06 0.00 0.00 7.08 3.08 -1.93 -3.46 114.38 124.22 3d3d h ARG 29 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 3d3d h ARG 29 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3d3d h ARG 29 CO 0.09 0.00 0.00 -1.71 -1.07 0.00 0.00 179.97 177.28 3d3d n ASN 30 N -2.64 0.00 -3.19 7.04 2.85 -1.26 -5.05 115.26 113.02 3d3d n ASN 30 Ca 0.03 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.18 3d3d n ASN 30 Cb 0.50 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.50 3d3d n ASN 30 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 3d3d n HIS 31 N 0.00 3.59 0.00 1.20 8.25 -1.26 -4.70 115.22 122.29 3d3d n HIS 31 Ca 0.00 -3.46 0.00 0.00 -0.26 0.00 0.00 57.72 54.00 3d3d n HIS 31 Cb 0.00 -0.75 0.00 0.00 1.12 0.00 0.00 29.99 30.36 3d3d n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d3d n GLY 32 N -0.19 1.80 0.29 -1.41 0.00 -1.16 -4.40 105.19 100.12 3d3d n GLY 32 Ca 0.37 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.56 3d3d n GLY 32 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3d3d h TYR 33 N 0.00 0.00 -0.02 1.61 0.05 -1.84 -0.40 116.97 116.37 3d3d h TYR 33 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3d3d h TYR 33 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3d3d h TYR 33 CO 0.00 0.04 -0.12 -0.40 -1.05 0.00 0.00 178.16 176.63 3d3d n ASP 34 N -3.25 1.93 -4.72 3.88 5.75 -1.26 -4.19 116.55 114.69 3d3d n ASP 34 Ca -0.01 -1.46 -0.42 0.00 -0.01 0.00 0.00 54.79 52.89 3d3d n ASP 34 Cb 0.23 0.19 -0.03 0.00 -1.03 0.00 0.00 41.12 40.48 3d3d n ASP 34 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3d3d s VAL 35 N -1.43 3.81 0.19 2.12 1.01 -0.49 -1.10 120.40 124.51 3d3d s VAL 35 Ca 0.15 1.38 0.06 0.00 0.00 0.00 0.00 61.98 63.57 3d3d s VAL 35 Cb 0.12 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3d3d s VAL 35 CO 0.25 0.15 0.13 -0.63 0.00 0.00 0.00 175.10 175.01 3d3d s ILE 36 N 0.62 4.35 0.58 2.22 1.01 -0.04 -0.27 121.20 129.67 3d3d s ILE 36 Ca 0.57 -1.24 -0.20 0.00 0.00 0.00 0.00 60.65 59.78 3d3d s ILE 36 Cb -0.31 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 3d3d s ILE 36 CO 0.32 -0.19 1.24 0.54 0.00 0.00 0.00 174.94 176.85 3d3d s VAL 37 N -1.88 2.53 0.00 2.92 0.11 0.41 -1.78 120.40 122.72 3d3d s VAL 37 Ca 0.31 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 3d3d s VAL 37 Cb -0.09 -3.15 0.00 0.00 -1.53 0.00 0.00 36.38 31.61 3d3d s VAL 37 CO 0.23 -0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.56 3d3d n GLY 38 N 0.58 3.27 0.00 6.54 0.00 -1.26 -4.35 105.19 109.97 3d3d n GLY 38 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3d3d n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d3d n GLY 39 N -2.00 2.79 3.65 -0.02 0.00 -0.73 -5.10 105.19 103.78 3d3d n GLY 39 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3d3d n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d3d s GLU 40 N -0.62 0.50 0.23 1.61 0.41 -1.25 -4.68 118.70 114.90 3d3d s GLU 40 Ca 0.00 0.79 0.11 0.00 -0.41 0.00 0.00 54.97 55.45 3d3d s GLU 40 Cb 0.00 -1.72 -0.05 0.00 -1.78 0.00 0.00 34.13 30.58 3d3d s GLU 40 CO 0.00 -2.75 -0.20 -0.51 -0.49 0.00 0.00 175.26 171.31 3d3d s LEU 41 N -6.54 2.52 0.13 1.80 1.43 -1.26 -0.86 118.68 115.91 3d3d s LEU 41 Ca 0.65 -0.96 0.10 0.00 -1.03 0.00 0.00 54.13 52.89 3d3d s LEU 41 Cb -0.20 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 3d3d s LEU 41 CO 0.59 0.01 -0.24 0.72 0.23 0.00 0.00 176.35 177.66 3d3d s PHE 42 N -2.32 2.09 -0.15 0.29 -0.12 -0.26 -4.95 117.98 112.56 3d3d s PHE 42 Ca 0.24 -0.40 0.05 0.00 -0.05 0.00 0.00 56.93 56.78 3d3d s PHE 42 Cb -0.05 -1.11 -0.07 0.00 -0.63 0.00 0.00 43.02 41.16 3d3d s PHE 42 CO 0.11 0.32 0.18 0.25 -0.05 0.00 0.00 175.22 176.03 3d3d n THR 43 N 0.80 0.00 -3.57 -4.49 -2.24 -1.26 -4.70 114.28 98.82 3d3d n THR 43 Ca -0.17 -0.27 -0.37 0.00 -2.27 0.00 0.00 64.05 60.97 3d3d n THR 43 Cb 0.54 0.75 -0.09 0.00 -2.10 0.00 0.00 70.33 69.43 3d3d n THR 43 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d3d s ASP 44 N -1.96 6.24 0.00 3.42 2.15 -1.26 -4.96 116.67 120.30 3d3d s ASP 44 Ca 0.00 0.27 0.18 0.00 0.43 0.00 0.00 52.55 53.43 3d3d s ASP 44 Cb 0.04 -2.15 0.12 0.00 -0.30 0.00 0.00 42.92 40.63 3d3d s ASP 44 CO 0.22 0.03 1.05 -1.22 -0.17 0.00 0.00 175.17 175.08 3d3d n TYR 45 N 4.24 0.00 0.33 -5.34 4.01 -1.26 -4.38 117.16 114.76 3d3d n TYR 45 Ca -0.13 0.00 0.21 0.00 -0.16 0.00 0.00 57.90 57.83 3d3d n TYR 45 Cb 0.52 0.00 1.17 0.00 -0.31 0.00 0.00 39.34 40.71 3d3d n TYR 45 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3d3d h SER 46 N 3.32 0.00 -5.06 7.72 4.64 -1.93 0.21 113.55 122.45 3d3d h SER 46 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3d3d h SER 46 Cb 0.73 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.75 3d3d h SER 46 CO 0.00 0.00 0.14 -0.62 -0.87 0.00 0.00 176.83 175.48 3d3d s ASP 47 N -5.35 -0.23 0.36 4.97 2.15 -1.26 -2.94 116.67 114.36 3d3d s ASP 47 Ca -0.05 -0.66 -0.28 0.00 0.43 0.00 0.00 52.55 51.99 3d3d s ASP 47 Cb 0.13 0.68 -0.11 0.00 -0.30 0.00 0.00 42.92 43.32 3d3d s ASP 47 CO 0.44 -1.27 1.48 1.57 -0.17 0.00 0.00 175.17 177.21 3d3d n HIS 48 N -0.43 2.85 0.31 -5.34 -0.00 -1.26 -4.70 115.22 106.65 3d3d n HIS 48 Ca -0.04 0.43 0.19 0.00 -0.00 0.00 0.00 57.72 58.29 3d3d n HIS 48 Cb 0.60 -2.52 1.03 0.00 -0.00 0.00 0.00 29.99 29.10 3d3d n HIS 48 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3d3d h PRO 49 N 3.22 0.00 -6.94 1.57 0.13 -1.94 -3.45 132.00 124.60 3d3d h PRO 49 Ca -0.49 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.05 3d3d h PRO 49 Cb 1.25 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.10 3d3d h PRO 49 CO 0.67 0.00 -0.87 0.54 -0.23 0.00 0.00 178.00 178.10 3d3d n ARG 50 N -3.48 -2.09 -3.63 0.86 1.74 -1.26 -4.91 116.66 103.90 3d3d n ARG 50 Ca -0.02 0.27 -0.38 0.00 -0.77 0.00 0.00 57.85 56.94 3d3d n ARG 50 Cb 0.12 -4.84 -0.11 0.00 -1.02 0.00 0.00 32.46 26.60 3d3d n ARG 50 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3d3d s LYS 51 N -7.07 3.83 -0.62 5.56 2.47 -1.26 -5.04 119.74 117.61 3d3d s LYS 51 Ca 0.70 -0.39 -0.25 0.00 -1.56 0.00 0.00 55.97 54.47 3d3d s LYS 51 Cb -0.40 -3.59 0.04 0.00 -1.46 0.00 0.00 37.83 32.43 3d3d s LYS 51 CO 0.97 -0.21 1.06 -1.17 0.16 0.00 0.00 175.35 176.16 3d3d s LEU 52 N 1.72 3.85 -0.20 5.43 2.96 -1.26 -4.49 118.68 126.68 3d3d s LEU 52 Ca 0.07 -0.42 -0.19 0.00 -0.22 0.00 0.00 54.13 53.37 3d3d s LEU 52 Cb -0.16 -2.75 -0.03 0.00 0.50 0.00 0.00 46.19 43.75 3d3d s LEU 52 CO 0.09 -1.45 0.55 -0.69 -1.32 0.00 0.00 176.35 173.53 3d3d s VAL 53 N 4.53 5.08 -0.36 1.68 1.01 -0.07 -4.91 120.40 127.36 3d3d s VAL 53 Ca 0.32 1.01 -0.25 0.00 0.00 0.00 0.00 61.98 63.06 3d3d s VAL 53 Cb -0.12 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.41 3d3d s VAL 53 CO 0.18 0.15 0.89 0.42 0.00 0.00 0.00 175.10 176.74 3d3d s THR 54 N 1.76 4.63 -0.12 3.92 -4.23 -1.26 -1.19 115.64 119.15 3d3d s THR 54 Ca 0.25 1.13 -0.06 0.00 -1.18 0.00 0.00 61.69 61.83 3d3d s THR 54 Cb -0.16 -4.30 -0.04 0.00 1.34 0.00 0.00 72.50 69.35 3d3d s THR 54 CO 0.10 -0.50 0.03 -0.07 -0.54 0.00 0.00 174.62 173.65 3d3d h LEU 55 N 9.96 0.00 -9.01 4.79 3.38 -1.75 -3.49 115.31 119.19 3d3d h LEU 55 Ca -0.23 -0.12 -0.41 0.00 0.09 0.00 0.00 57.88 57.20 3d3d h LEU 55 Cb 1.08 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.69 3d3d h LEU 55 CO 0.96 0.66 -0.64 0.54 0.09 0.00 0.00 178.44 180.05 3d3d s ASN 56 N -5.72 2.00 0.37 -0.43 2.20 -1.08 -5.02 114.94 107.25 3d3d s ASN 56 Ca -0.07 -1.28 0.16 0.00 -0.94 0.00 0.00 52.86 50.73 3d3d s ASN 56 Cb 0.01 -0.02 1.05 0.00 -2.00 0.00 0.00 41.25 40.29 3d3d s ASN 56 CO 0.15 -0.55 1.74 -0.65 -2.94 0.00 0.00 177.10 174.85 3d3d h PRO 57 N 2.34 0.42 -0.57 3.55 0.11 -2.04 -1.81 132.00 133.99 3d3d h PRO 57 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3d3d h PRO 57 Cb 1.23 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3d3d h PRO 57 CO 0.66 0.27 0.00 1.17 -0.21 0.00 0.00 178.00 179.89 3d3d n LYS 58 N -4.75 2.63 -3.71 1.05 3.00 -1.26 -4.99 118.16 110.12 3d3d n LYS 58 Ca 0.27 -2.47 -0.14 0.00 -0.00 0.00 0.00 58.31 55.98 3d3d n LYS 58 Cb 0.88 -1.52 -0.09 0.00 0.00 0.00 0.00 35.03 34.30 3d3d n LYS 58 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3d3d s LEU 59 N -1.17 0.46 0.15 3.14 2.96 -0.68 -5.13 118.68 118.41 3d3d s LEU 59 Ca 0.43 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.82 3d3d s LEU 59 Cb 0.23 1.52 -0.04 0.00 0.50 0.00 0.00 46.19 48.40 3d3d s LEU 59 CO 0.31 -0.35 0.02 -0.54 -1.32 0.00 0.00 176.35 174.46 3d3d s LYS 60 N -0.71 1.01 -0.09 1.98 1.02 -1.26 -1.97 119.74 119.72 3d3d s LYS 60 Ca -0.08 -1.48 -0.22 0.00 0.02 0.00 0.00 55.97 54.21 3d3d s LYS 60 Cb -0.04 -0.07 0.05 0.00 -0.52 0.00 0.00 37.83 37.25 3d3d s LYS 60 CO 0.04 -0.17 0.52 0.45 -0.92 0.00 0.00 175.35 175.27 3d3d s SER 61 N -3.11 -0.48 0.00 2.83 0.15 -0.33 -4.92 113.70 107.84 3d3d s SER 61 Ca 0.23 0.64 0.22 0.00 0.70 0.00 0.00 55.95 57.74 3d3d s SER 61 Cb 0.07 0.65 -0.19 0.00 -1.71 0.00 0.00 66.02 64.84 3d3d s SER 61 CO 0.02 -0.42 0.80 0.35 1.20 0.00 0.00 173.24 175.20 3d3d n THR 62 N 1.64 0.04 -1.51 6.45 -2.24 -1.26 -0.89 114.28 116.50 3d3d n THR 62 Ca -0.18 -0.21 -0.59 0.00 -2.27 0.00 0.00 64.05 60.80 3d3d n THR 62 Cb 0.56 0.49 -0.08 0.00 -2.10 0.00 0.00 70.33 69.20 3d3d n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d3d n GLY 63 N 1.39 0.02 3.48 3.38 0.00 -1.26 -4.46 105.19 107.75 3d3d n GLY 63 Ca 0.01 0.84 -0.11 0.00 0.00 0.00 0.00 46.02 46.76 3d3d n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3d s ALA 64 N 1.77 0.28 0.14 4.61 0.00 -0.96 -0.44 121.76 127.16 3d3d s ALA 64 Ca 0.91 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.68 3d3d s ALA 64 Cb -1.29 1.16 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3d3d s ALA 64 CO 0.67 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 176.05 3d3d n GLY 65 N -0.39 -1.83 0.42 0.00 0.00 0.63 -0.71 105.19 103.30 3d3d n GLY 65 Ca -0.00 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 3d3d n GLY 65 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3d3d h ARG 66 N -0.46 -0.43 -0.95 1.61 2.43 -1.31 -1.63 114.38 113.64 3d3d h ARG 66 Ca -0.01 0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 3d3d h ARG 66 Cb 0.45 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.04 3d3d h ARG 66 CO 0.01 -0.29 0.13 0.66 -1.51 0.00 0.00 179.97 178.98 3d3d n TYR 67 N -5.42 0.88 -4.13 2.20 4.02 -1.26 -4.40 117.16 109.04 3d3d n TYR 67 Ca -0.03 -0.67 -0.42 0.00 -0.01 0.00 0.00 57.90 56.76 3d3d n TYR 67 Cb 0.36 -0.39 -0.01 0.00 -0.02 0.00 0.00 39.34 39.29 3d3d n TYR 67 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3d3d n GLN 68 N 0.06 -0.39 -2.45 -0.72 1.13 -0.61 -4.82 117.38 109.57 3d3d n GLN 68 Ca 0.16 0.04 -0.42 0.00 -1.94 0.00 0.00 57.00 54.83 3d3d n GLN 68 Cb 0.76 -2.58 -0.03 0.00 0.11 0.00 0.00 30.24 28.50 3d3d n GLN 68 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3d3d s LEU 69 N -7.39 4.29 0.63 1.08 2.96 0.11 -4.25 118.68 116.10 3d3d s LEU 69 Ca 0.37 1.84 -0.18 0.00 -0.22 0.00 0.00 54.13 55.94 3d3d s LEU 69 Cb -0.21 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.91 3d3d s LEU 69 CO 0.95 -0.58 1.22 -0.76 -1.32 0.00 0.00 176.35 175.86 3d3d s LEU 70 N 2.15 3.58 0.41 -0.68 1.43 -1.26 -2.25 118.68 122.05 3d3d s LEU 70 Ca 0.56 2.42 0.13 0.00 -1.03 0.00 0.00 54.13 56.21 3d3d s LEU 70 Cb -0.25 -4.60 0.85 0.00 0.03 0.00 0.00 46.19 42.22 3d3d s LEU 70 CO 0.23 -1.79 1.91 0.77 0.23 0.00 0.00 176.35 177.69 3d3d h SER 71 N 0.58 0.00 -0.36 2.29 4.64 -1.95 -2.54 113.55 116.22 3d3d h SER 71 Ca -0.50 -0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.90 3d3d h SER 71 Cb 1.30 -0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.31 3d3d h SER 71 CO 0.54 0.28 -0.25 -0.09 -0.87 0.00 0.00 176.83 176.44 3d3d h ARG 72 N 0.00 -0.19 0.00 4.77 2.43 -1.97 0.32 114.38 119.74 3d3d h ARG 72 Ca -0.00 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 3d3d h ARG 72 Cb 0.49 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 3d3d h ARG 72 CO 0.04 -0.13 -0.57 -1.49 -1.51 0.00 0.00 179.97 176.31 3d3d h TRP 73 N -0.20 0.00 -0.14 2.20 4.06 -1.89 -2.34 115.95 117.63 3d3d h TRP 73 Ca 0.18 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.14 3d3d h TRP 73 Cb 0.48 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.63 3d3d h TRP 73 CO -0.46 0.57 0.07 2.35 -3.56 0.00 0.00 178.44 177.40 3d3d h TRP 74 N 0.00 0.12 -0.68 0.49 2.91 -0.62 0.17 115.95 118.34 3d3d h TRP 74 Ca -0.01 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 3d3d h TRP 74 Cb 1.07 -0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 29.65 3d3d h TRP 74 CO 0.00 0.07 0.34 -0.44 -1.03 0.00 0.00 178.44 177.38 3d3d h ASP 75 N 0.15 0.89 0.62 2.65 3.32 -0.90 0.23 116.42 123.38 3d3d h ASP 75 Ca 0.06 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 3d3d h ASP 75 Cb 0.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3d3d h ASP 75 CO -0.04 0.76 -0.45 0.00 -1.72 0.00 0.00 179.24 177.79 3d3d h ALA 76 N 1.16 -1.09 -0.24 3.45 0.00 -0.85 -2.14 119.26 119.55 3d3d h ALA 76 Ca 0.24 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3d3d h ALA 76 Cb 0.10 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3d3d h ALA 76 CO -0.03 -1.14 -0.39 1.88 0.00 0.00 0.00 179.25 179.57 3d3d h TYR 77 N -1.03 0.67 -0.32 0.00 0.05 -0.60 0.43 116.97 116.17 3d3d h TYR 77 Ca -0.08 -0.19 -0.08 0.00 0.05 0.00 0.00 58.73 58.43 3d3d h TYR 77 Cb 0.85 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.43 3d3d h TYR 77 CO -0.15 0.87 -0.15 0.07 -1.05 0.00 0.00 178.16 177.75 3d3d h ARG 78 N 0.47 0.57 0.02 4.88 0.11 -0.52 0.31 114.38 120.20 3d3d h ARG 78 Ca 0.04 -0.18 -0.00 0.00 0.10 0.00 0.00 59.98 59.94 3d3d h ARG 78 Cb 0.89 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.92 3d3d h ARG 78 CO 0.08 0.70 -0.01 -0.22 0.10 0.00 0.00 179.97 180.62 3d3d h LYS 79 N 0.52 -0.02 -0.75 0.08 3.64 -1.25 0.51 116.57 119.29 3d3d h LYS 79 Ca 0.09 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.61 3d3d h LYS 79 Cb 0.56 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.29 3d3d h LYS 79 CO 0.04 0.58 0.31 0.37 -2.27 0.00 0.00 179.45 178.48 3d3d h GLN 80 N -0.64 0.45 -0.66 1.90 4.15 -0.68 -1.95 115.11 117.68 3d3d h GLN 80 Ca -0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3d3d h GLN 80 Cb 0.61 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.20 3d3d h GLN 80 CO 0.00 0.30 0.00 1.28 -1.93 0.00 0.00 178.83 178.48 3d3d n LEU 81 N -4.98 4.31 -3.84 -2.39 4.77 0.11 -4.96 117.00 110.01 3d3d n LEU 81 Ca 0.14 -2.24 -0.30 0.00 -0.03 0.00 0.00 56.01 53.58 3d3d n LEU 81 Cb 0.40 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3d3d n LEU 81 CO 0.19 0.89 0.03 0.61 -1.33 0.00 0.00 177.39 177.78 3d3d n GLY 82 N 1.29 -0.48 3.67 -0.72 0.00 0.59 -4.82 105.19 104.71 3d3d n GLY 82 Ca 0.24 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.99 3d3d n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d3d s LEU 83 N -7.06 4.24 0.00 0.99 1.43 0.15 -4.96 118.68 113.47 3d3d s LEU 83 Ca 0.61 1.88 -0.03 0.00 -1.03 0.00 0.00 54.13 55.57 3d3d s LEU 83 Cb -0.32 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.34 3d3d s LEU 83 CO 0.76 -0.78 0.81 0.11 0.23 0.00 0.00 176.35 177.47 3d3d h LYS 84 N 8.43 -0.10 0.00 1.70 1.79 -1.89 -3.45 116.57 123.03 3d3d h LYS 84 Ca -0.32 0.01 -0.30 0.00 -2.18 0.00 0.00 60.65 57.86 3d3d h LYS 84 Cb 1.13 0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.81 3d3d h LYS 84 CO 0.95 -0.07 -0.07 -0.40 -1.08 0.00 0.00 179.45 178.78 3d3d n ASP 85 N -2.35 1.47 -1.60 0.86 5.68 -1.26 -4.91 116.55 114.43 3d3d n ASP 85 Ca -0.01 -1.98 -0.13 0.00 -0.50 0.00 0.00 54.79 52.17 3d3d n ASP 85 Cb 0.04 -0.20 0.19 0.00 -1.14 0.00 0.00 41.12 40.01 3d3d n ASP 85 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 3d3d n PHE 86 N -1.64 1.89 -0.64 2.11 7.35 0.73 -4.53 117.46 122.74 3d3d n PHE 86 Ca 0.07 -1.75 -0.31 0.00 -0.76 0.00 0.00 57.45 54.71 3d3d n PHE 86 Cb 0.36 -0.68 0.19 0.00 0.35 0.00 0.00 39.48 39.70 3d3d n PHE 86 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 3d3d n SER 87 N -1.13 -1.41 -0.07 -2.13 3.41 -1.13 -4.53 113.62 106.63 3d3d n SER 87 Ca 0.44 0.11 0.19 0.00 -0.26 0.00 0.00 58.87 59.35 3d3d n SER 87 Cb 1.27 -1.24 0.63 0.00 -0.26 0.00 0.00 64.21 64.60 3d3d n SER 87 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3d3d h PRO 88 N -2.11 0.15 -0.01 4.33 0.11 -1.93 0.63 132.00 133.17 3d3d h PRO 88 Ca -0.51 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.62 3d3d h PRO 88 Cb 1.31 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 3d3d h PRO 88 CO 0.41 0.10 -0.23 -0.22 -0.21 0.00 0.00 178.00 177.85 3d3d h LYS 89 N 0.15 -0.34 -0.07 1.05 3.64 -1.95 0.92 116.57 119.97 3d3d h LYS 89 Ca 0.31 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.64 3d3d h LYS 89 Cb 1.00 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3d3d h LYS 89 CO -0.04 -0.23 -0.28 0.77 -2.27 0.00 0.00 179.45 177.40 3d3d h SER 90 N -0.35 0.11 0.08 4.20 0.02 -1.19 -1.60 113.55 114.82 3d3d h SER 90 Ca 0.06 -0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.88 3d3d h SER 90 Cb 0.44 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 3d3d h SER 90 CO -0.21 0.40 -0.32 1.56 -1.14 0.00 0.00 176.83 177.12 3d3d h GLN 91 N 0.11 0.36 -0.00 3.45 4.20 0.53 -2.54 115.11 121.22 3d3d h GLN 91 Ca 0.02 -0.15 -0.15 0.00 0.06 0.00 0.00 58.65 58.43 3d3d h GLN 91 Cb 0.56 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.34 3d3d h GLN 91 CO 0.04 0.65 -0.59 -0.44 -0.67 0.00 0.00 178.83 177.82 3d3d h ASP 92 N 0.31 0.53 -0.83 1.46 3.32 -0.59 -2.85 116.42 117.77 3d3d h ASP 92 Ca 0.04 -0.76 0.18 0.00 0.02 0.00 0.00 57.03 56.51 3d3d h ASP 92 Cb 0.72 -0.16 -0.16 0.00 0.22 0.00 0.00 39.33 39.95 3d3d h ASP 92 CO 0.06 1.21 -0.14 0.00 -1.72 0.00 0.00 179.24 178.65 3d3d h ALA 93 N 0.32 0.66 0.46 3.45 0.00 -1.10 -0.06 119.26 122.99 3d3d h ALA 93 Ca -0.07 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3d3d h ALA 93 Cb 1.30 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3d3d h ALA 93 CO 0.12 -0.42 -0.22 0.28 0.00 0.00 0.00 179.25 179.00 3d3d h VAL 94 N 0.02 0.43 -0.83 0.00 2.07 -1.47 -2.20 116.25 114.27 3d3d h VAL 94 Ca 0.42 -0.46 0.17 0.00 0.82 0.00 0.00 66.70 67.65 3d3d h VAL 94 Cb 0.70 0.60 -0.16 0.00 -1.52 0.00 0.00 31.29 30.91 3d3d h VAL 94 CO -0.83 0.07 -0.19 0.00 0.02 0.00 0.00 177.57 176.64 3d3d h ALA 95 N -0.59 0.58 -0.24 1.67 0.00 -1.06 0.14 119.26 119.76 3d3d h ALA 95 Ca -0.06 0.32 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3d3d h ALA 95 Cb 0.58 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3d3d h ALA 95 CO 0.10 -0.41 -0.20 -0.07 0.00 0.00 0.00 179.25 178.68 3d3d h LEU 96 N 0.00 0.42 -0.63 0.00 3.38 -1.03 -1.20 115.31 116.25 3d3d h LEU 96 Ca 0.40 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 58.14 3d3d h LEU 96 Cb 0.63 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3d3d h LEU 96 CO -0.85 0.63 -0.12 -0.61 0.09 0.00 0.00 178.44 177.58 3d3d h GLN 97 N 0.39 0.95 -0.22 1.13 5.75 -0.10 0.41 115.11 123.41 3d3d h GLN 97 Ca 0.06 -0.35 -0.05 0.00 -0.15 0.00 0.00 58.65 58.17 3d3d h GLN 97 Cb 0.57 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 3d3d h GLN 97 CO 0.04 1.01 -0.07 1.96 -2.65 0.00 0.00 178.83 179.12 3d3d h GLN 98 N 0.84 0.44 -0.21 1.69 4.20 -1.16 0.68 115.11 121.59 3d3d h GLN 98 Ca 0.13 -0.18 0.04 0.00 0.06 0.00 0.00 58.65 58.70 3d3d h GLN 98 Cb 0.67 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.39 3d3d h GLN 98 CO 0.05 0.69 -0.01 0.82 -0.67 0.00 0.00 178.83 179.71 3d3d h ILE 99 N 0.16 0.83 -0.85 2.54 2.04 -1.00 0.83 117.51 122.07 3d3d h ILE 99 Ca 0.05 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3d3d h ILE 99 Cb 0.54 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 3d3d h ILE 99 CO 0.03 0.01 0.56 0.50 0.00 0.00 0.00 178.15 179.24 3d3d h LYS 100 N 0.05 1.07 -0.38 2.37 3.64 0.08 -1.76 116.57 121.64 3d3d h LYS 100 Ca 0.10 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 3d3d h LYS 100 Cb 0.14 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3d3d h LYS 100 CO -0.18 0.71 -0.12 0.93 -2.27 0.00 0.00 179.45 178.51 3d3d h GLU 101 N 1.10 0.67 0.00 1.90 5.08 0.23 0.04 114.58 123.61 3d3d h GLU 101 Ca 0.32 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3d3d h GLU 101 Cb -0.05 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3d3d h GLU 101 CO -0.08 0.77 0.00 0.54 -1.00 0.00 0.00 179.01 179.24 3d3d n ARG 102 N -4.17 0.55 -2.35 2.33 5.12 0.18 -4.77 116.66 113.55 3d3d n ARG 102 Ca 0.01 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.73 3d3d n ARG 102 Cb 0.36 -1.37 -0.01 0.00 -1.16 0.00 0.00 32.46 30.27 3d3d n ARG 102 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3d3d n GLY 103 N 0.08 -0.33 0.88 -0.13 0.00 0.00 -4.84 105.19 100.85 3d3d n GLY 103 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 3d3d n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3d n ALA 104 N -1.82 2.51 -0.05 4.61 0.00 -0.97 -4.33 120.51 120.45 3d3d n ALA 104 Ca -0.23 -0.68 -0.12 0.00 0.00 0.00 0.00 53.44 52.42 3d3d n ALA 104 Cb 0.67 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 3d3d n ALA 104 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3d3d h LEU 105 N 4.33 0.25 -1.79 0.00 3.38 -1.81 1.06 115.31 120.73 3d3d h LEU 105 Ca 0.00 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.69 3d3d h LEU 105 Cb 0.93 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3d3d h LEU 105 CO 0.00 0.50 0.20 -0.65 0.09 0.00 0.00 178.44 178.58 3d3d h PRO 106 N -0.00 0.27 -0.10 1.13 0.11 -1.94 0.67 132.00 132.13 3d3d h PRO 106 Ca 0.04 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 3d3d h PRO 106 Cb 0.37 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.42 3d3d h PRO 106 CO 0.01 0.18 -0.20 0.52 -0.21 0.00 0.00 178.00 178.30 3d3d h MET 107 N 0.27 0.32 -0.17 1.05 2.86 -1.56 -0.33 114.93 117.37 3d3d h MET 107 Ca 0.12 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3d3d h MET 107 Cb 0.15 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3d3d h MET 107 CO -0.03 0.79 0.08 0.82 1.06 0.00 0.00 176.91 179.64 3d3d h ILE 108 N -0.13 1.13 -0.78 -1.22 2.04 0.19 0.24 117.51 118.99 3d3d h ILE 108 Ca 0.00 -0.39 0.12 0.00 1.00 0.00 0.00 64.86 65.59 3d3d h ILE 108 Cb 0.78 1.09 -0.08 0.00 -0.74 0.00 0.00 36.82 37.87 3d3d h ILE 108 CO 0.04 0.13 0.39 0.44 0.00 0.00 0.00 178.15 179.15 3d3d h ASP 109 N 0.14 0.48 -0.46 1.72 3.32 0.31 -1.69 116.42 120.24 3d3d h ASP 109 Ca 0.06 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3d3d h ASP 109 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3d3d h ASP 109 CO -0.01 0.23 0.00 -2.11 -1.72 0.00 0.00 179.24 175.64 3d3d n ARG 110 N -4.88 3.28 -0.53 3.56 1.85 -0.14 -4.94 116.66 114.86 3d3d n ARG 110 Ca 0.14 -2.17 0.00 0.00 -1.00 0.00 0.00 57.85 54.82 3d3d n ARG 110 Cb 0.35 -1.83 0.00 0.00 -1.05 0.00 0.00 32.46 29.93 3d3d n ARG 110 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3d3d n GLY 111 N 0.78 1.20 2.67 2.89 0.00 0.10 -4.71 105.19 108.12 3d3d n GLY 111 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3d3d n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d3d n ASP 112 N 0.00 4.97 0.22 1.61 8.00 0.61 -2.08 116.55 129.89 3d3d n ASP 112 Ca 0.00 -2.48 0.06 0.00 0.71 0.00 0.00 54.79 53.08 3d3d n ASP 112 Cb 0.00 -1.22 0.49 0.00 -0.02 0.00 0.00 41.12 40.37 3d3d n ASP 112 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3d3d h ILE 113 N 3.63 1.04 -0.10 0.53 1.08 -1.89 0.68 117.51 122.47 3d3d h ILE 113 Ca 0.55 -0.87 -0.05 0.00 -0.39 0.00 0.00 64.86 64.10 3d3d h ILE 113 Cb 0.32 1.49 -0.00 0.00 -3.07 0.00 0.00 36.82 35.56 3d3d h ILE 113 CO 1.65 0.24 -0.13 0.03 -0.69 0.00 0.00 178.15 179.25 3d3d h ARG 114 N 0.00 0.26 -0.76 2.37 3.08 -1.96 0.55 114.38 117.92 3d3d h ARG 114 Ca -0.00 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 59.93 3d3d h ARG 114 Cb 0.47 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 3d3d h ARG 114 CO 0.03 0.70 0.50 0.37 -1.07 0.00 0.00 179.97 180.50 3d3d h GLN 115 N -0.16 0.90 -0.01 0.04 4.15 -1.71 0.42 115.11 118.73 3d3d h GLN 115 Ca 0.01 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 3d3d h GLN 115 Cb 0.67 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.15 3d3d h GLN 115 CO 0.03 0.60 -0.02 0.00 -1.93 0.00 0.00 178.83 177.51 3d3d h ALA 116 N 1.56 0.02 -0.76 3.38 0.00 0.58 0.14 119.26 124.18 3d3d h ALA 116 Ca 0.30 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3d3d h ALA 116 Cb 0.04 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3d3d h ALA 116 CO -0.09 -0.18 0.43 0.82 0.00 0.00 0.00 179.25 180.23 3d3d h ILE 117 N -0.51 0.94 -0.00 0.00 2.04 0.55 1.78 117.51 122.30 3d3d h ILE 117 Ca 0.00 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.48 3d3d h ILE 117 Cb 0.59 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3d3d h ILE 117 CO 0.00 0.14 -0.58 -0.78 0.00 0.00 0.00 178.15 176.93 3d3d h ASP 118 N 0.75 0.01 0.38 1.72 3.58 -0.17 0.86 116.42 123.55 3d3d h ASP 118 Ca 0.35 -0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.58 3d3d h ASP 118 Cb 0.27 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.32 3d3d h ASP 118 CO -0.22 0.59 -0.93 -0.09 -2.88 0.00 0.00 179.24 175.72 3d3d h ARG 119 N 0.01 0.37 -0.43 0.28 9.65 0.11 -3.06 114.38 121.30 3d3d h ARG 119 Ca -0.01 -0.40 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 3d3d h ARG 119 Cb 1.03 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 3d3d h ARG 119 CO 0.08 1.08 0.00 0.00 2.80 0.00 0.00 179.97 183.92 3d3d h SER 121 N 3.62 0.47 0.88 0.00 4.64 0.86 0.18 113.55 124.20 3d3d h SER 121 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d3d h SER 121 Cb 0.81 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3d3d h SER 121 CO 0.00 0.31 0.00 -0.46 -0.87 0.00 0.00 176.83 175.81 3d3d n ASN 122 N -4.47 0.00 0.03 4.97 6.94 -1.26 -3.60 115.26 117.87 3d3d n ASN 122 Ca 0.07 0.43 -0.22 0.00 -0.02 0.00 0.00 54.58 54.85 3d3d n ASN 122 Cb 0.22 -0.48 -0.14 0.00 -2.36 0.00 0.00 39.78 37.02 3d3d n ASN 122 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 3d3d h ILE 123 N 0.00 1.06 -3.57 1.53 1.08 -0.96 -3.46 117.51 113.19 3d3d h ILE 123 Ca 0.00 -2.44 -0.65 0.00 -0.39 0.00 0.00 64.86 61.38 3d3d h ILE 123 Cb 0.44 2.78 -0.32 0.00 -3.07 0.00 0.00 36.82 36.64 3d3d h ILE 123 CO 0.00 0.74 -0.87 0.26 -0.69 0.00 0.00 178.15 177.59 3d3d s TRP 124 N -2.50 2.28 0.35 1.37 0.51 -1.05 -5.02 118.94 114.88 3d3d s TRP 124 Ca -0.18 -0.84 0.12 0.00 -2.12 0.00 0.00 56.10 53.08 3d3d s TRP 124 Cb 0.04 -1.53 0.65 0.00 -0.81 0.00 0.00 33.47 31.81 3d3d s TRP 124 CO 0.79 -0.32 1.78 0.00 -0.51 0.00 0.00 176.95 178.69 3d3d h ALA 125 N 6.54 1.30 0.00 0.98 0.00 -1.90 -2.73 119.26 123.45 3d3d h ALA 125 Ca -0.25 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3d3d h ALA 125 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3d3d h ALA 125 CO 0.47 0.53 0.00 -1.13 0.00 0.00 0.00 179.25 179.12 3d3d n SER 126 N -4.03 0.00 -4.87 0.00 3.41 -1.26 -4.41 113.62 102.46 3d3d n SER 126 Ca -0.02 -0.46 -0.35 0.00 -0.26 0.00 0.00 58.87 57.78 3d3d n SER 126 Cb 0.45 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.29 3d3d n SER 126 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3d3d s LEU 127 N -2.12 4.38 0.19 1.04 1.43 -1.03 -1.08 118.68 121.47 3d3d s LEU 127 Ca 0.26 0.74 -0.31 0.00 -1.03 0.00 0.00 54.13 53.79 3d3d s LEU 127 Cb 0.13 -2.80 -0.10 0.00 0.03 0.00 0.00 46.19 43.45 3d3d s LEU 127 CO 0.23 0.23 1.54 -2.16 0.23 0.00 0.00 176.35 176.41 3d3d s PRO 128 N -1.71 4.22 0.00 1.29 0.04 -1.22 -2.06 135.00 135.57 3d3d s PRO 128 Ca 0.29 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.68 3d3d s PRO 128 Cb -0.14 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.26 3d3d s PRO 128 CO 0.16 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.05 3d3d n GLY 129 N 3.37 1.75 0.31 0.56 0.00 -1.26 -4.73 105.19 105.20 3d3d n GLY 129 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 3d3d n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3d h ALA 130 N 0.00 0.03 0.00 4.61 0.00 -1.56 -3.46 119.26 118.88 3d3d h ALA 130 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3d3d h ALA 130 Cb 0.00 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3d3d h ALA 130 CO 0.00 -0.63 0.00 0.41 0.00 0.00 0.00 179.25 179.03 3d3d n GLY 131 N -1.43 0.51 1.63 0.00 0.00 -1.26 -4.72 105.19 99.92 3d3d n GLY 131 Ca 0.04 -0.83 0.08 0.00 0.00 0.00 0.00 46.02 45.30 3d3d n GLY 131 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3d3d n TYR 132 N -3.59 1.63 -0.47 1.61 4.02 -1.26 -4.89 117.16 114.21 3d3d n TYR 132 Ca 0.00 -0.60 0.00 0.00 -0.01 0.00 0.00 57.90 57.29 3d3d n TYR 132 Cb 0.38 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 3d3d n TYR 132 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3d3d n GLY 133 N 0.85 0.02 3.81 2.72 0.00 -1.26 -4.91 105.19 106.42 3d3d n GLY 133 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 3d3d n GLY 133 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d3d s GLN 134 N -0.91 1.60 -0.31 1.61 -1.52 -1.26 -4.90 119.66 113.97 3d3d s GLN 134 Ca 0.00 0.38 -0.28 0.00 -1.95 0.00 0.00 55.36 53.51 3d3d s GLN 134 Cb 0.00 -1.88 -0.02 0.00 -0.22 0.00 0.00 33.01 30.88 3d3d s GLN 134 CO 0.00 -1.90 1.88 0.12 -0.25 0.00 0.00 175.29 175.14 3d3d s PHE 135 N -3.28 1.69 -0.31 0.91 5.36 -1.26 -4.93 117.98 116.16 3d3d s PHE 135 Ca 0.62 0.61 -0.16 0.00 -0.96 0.00 0.00 56.93 57.04 3d3d s PHE 135 Cb -0.14 -4.09 -0.02 0.00 -0.34 0.00 0.00 43.02 38.43 3d3d s PHE 135 CO 0.53 -3.17 0.43 -1.21 -1.46 0.00 0.00 175.22 170.35 3d3d s GLU 136 N 5.78 3.79 0.55 10.12 2.02 -1.26 -4.36 118.70 135.34 3d3d s GLU 136 Ca 0.84 -0.09 -0.22 0.00 0.02 0.00 0.00 54.97 55.52 3d3d s GLU 136 Cb -0.24 -3.74 -0.05 0.00 0.10 0.00 0.00 34.13 30.20 3d3d s GLU 136 CO 0.34 -0.46 1.37 0.72 0.02 0.00 0.00 175.26 177.25 3d3d n HIS 137 N 5.50 2.32 -2.16 1.61 8.25 -0.24 -4.80 115.22 125.70 3d3d n HIS 137 Ca -0.07 0.43 -0.37 0.00 -0.26 0.00 0.00 57.72 57.45 3d3d n HIS 137 Cb 0.50 -2.36 0.00 0.00 1.12 0.00 0.00 29.99 29.25 3d3d n HIS 137 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 3d3d s LYS 138 N -2.93 3.56 0.35 -0.41 -2.85 -1.26 -3.41 119.74 112.79 3d3d s LYS 138 Ca 0.72 1.84 0.06 0.00 -1.00 0.00 0.00 55.97 57.59 3d3d s LYS 138 Cb -0.41 -2.31 0.74 0.00 -2.06 0.00 0.00 37.83 33.78 3d3d s LYS 138 CO 0.49 -0.73 1.92 0.00 0.10 0.00 0.00 175.35 177.13 3d3d h ALA 139 N 1.79 1.72 -0.73 0.59 0.00 -1.94 -2.19 119.26 118.50 3d3d h ALA 139 Ca -0.50 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.43 3d3d h ALA 139 Cb 1.26 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 3d3d h ALA 139 CO 0.59 0.12 0.46 -0.44 0.00 0.00 0.00 179.25 179.98 3d3d h ASP 140 N 0.78 0.76 1.19 0.00 3.32 -2.00 -1.70 116.42 118.77 3d3d h ASP 140 Ca 0.37 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 3d3d h ASP 140 Cb 0.41 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3d3d h ASP 140 CO -0.14 0.52 0.00 0.77 -1.72 0.00 0.00 179.24 178.67 3d3d h SER 141 N 0.90 0.00 0.06 6.45 4.64 -1.76 -1.93 113.55 121.90 3d3d h SER 141 Ca 0.29 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.46 3d3d h SER 141 Cb 0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3d3d h SER 141 CO -0.11 0.00 -0.73 -0.07 -0.87 0.00 0.00 176.83 175.05 3d3d h LEU 142 N 0.00 0.19 -0.68 5.97 3.38 -1.24 -2.66 115.31 120.26 3d3d h LEU 142 Ca 0.00 -0.87 0.13 0.00 0.09 0.00 0.00 57.88 57.23 3d3d h LEU 142 Cb 0.60 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 3d3d h LEU 142 CO 0.00 1.32 0.20 0.40 0.09 0.00 0.00 178.44 180.44 3d3d h ILE 143 N -0.70 0.62 0.33 1.22 1.08 -1.26 0.25 117.51 119.04 3d3d h ILE 143 Ca -0.16 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 3d3d h ILE 143 Cb 1.38 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 35.36 3d3d h ILE 143 CO 0.01 0.06 -0.42 0.00 -0.69 0.00 0.00 178.15 177.11 3d3d h ALA 144 N 1.53 -0.87 -0.84 1.87 0.00 -1.40 0.23 119.26 119.78 3d3d h ALA 144 Ca 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3d3d h ALA 144 Cb 0.58 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 3d3d h ALA 144 CO -0.43 -1.04 0.47 -0.22 0.00 0.00 0.00 179.25 178.03 3d3d h LYS 145 N -0.79 1.17 0.05 0.00 1.63 -1.03 -1.08 116.57 116.52 3d3d h LYS 145 Ca -0.02 -0.14 0.02 0.00 -0.85 0.00 0.00 60.65 59.67 3d3d h LYS 145 Cb 0.73 -0.23 -0.04 0.00 -0.60 0.00 0.00 32.23 32.10 3d3d h LYS 145 CO -0.12 0.86 -0.24 0.35 -3.45 0.00 0.00 179.45 176.84 3d3d h PHE 146 N 1.17 -0.65 -0.91 1.91 3.57 -0.20 0.85 116.94 122.68 3d3d h PHE 146 Ca 0.30 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.96 3d3d h PHE 146 Cb 0.03 0.28 -0.07 0.00 2.79 0.00 0.00 35.95 38.97 3d3d h PHE 146 CO 0.01 -0.34 0.58 0.87 -2.23 0.00 0.00 178.31 177.20 3d3d h LYS 147 N -0.41 0.67 -0.00 1.11 1.57 0.04 0.30 116.57 119.85 3d3d h LYS 147 Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3d3d h LYS 147 Cb 0.47 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3d3d h LYS 147 CO -0.19 0.44 -0.02 -0.85 -0.57 0.00 0.00 179.45 178.27 3d3d n GLU 148 N -4.57 0.98 0.00 3.15 0.28 0.01 -1.99 120.64 118.49 3d3d n GLU 148 Ca 0.18 -0.22 0.12 0.00 -0.16 0.00 0.00 57.16 57.08 3d3d n GLU 148 Cb 0.49 -1.50 0.29 0.00 1.43 0.00 0.00 31.44 32.15 3d3d n GLU 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3d3d n ALA 149 N -0.82 3.38 0.00 -1.84 0.00 1.00 -4.89 120.51 117.34 3d3d n ALA 149 Ca 0.20 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3d3d n ALA 149 Cb 0.21 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3d3d n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d3d n GLY 150 N 1.43 0.83 3.71 0.00 0.00 -0.84 -4.56 105.19 105.75 3d3d n GLY 150 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3d3d n GLY 150 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d3d s GLY 151 N -1.93 1.67 0.01 -0.02 0.00 -0.79 -4.88 107.32 101.38 3d3d s GLY 151 Ca 0.00 0.35 0.07 0.00 0.00 0.00 0.00 44.72 45.14 3d3d s GLY 151 CO 0.00 0.76 -0.22 -1.59 0.00 0.00 0.00 173.10 172.04 3d3d s THR 152 N -2.78 1.77 0.34 0.90 2.01 -1.26 -4.23 115.64 112.39 3d3d s THR 152 Ca 0.64 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 61.58 3d3d s THR 152 Cb -0.20 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 70.84 3d3d s THR 152 CO 0.57 0.39 0.17 0.52 -0.69 0.00 0.00 174.62 175.58 3d3d n VAL 153 N 2.22 0.00 -0.53 3.82 0.31 -1.26 -4.19 118.33 118.70 3d3d n VAL 153 Ca -0.16 -1.43 0.00 0.00 -0.01 0.00 0.00 64.34 62.74 3d3d n VAL 153 Cb 0.53 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 3d3d n VAL 153 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37