#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 5.37 0.06 2.03 1.01 -1.26 -5.03 120.40 122.58 3d3d s VAL 2 Ca 0.00 0.35 -0.36 0.00 0.00 0.00 0.00 61.98 61.97 3d3d s VAL 2 Cb 0.00 -3.53 -0.15 0.00 0.00 0.00 0.00 36.38 32.69 3d3d s VAL 2 CO 0.00 0.45 1.48 1.21 0.00 0.00 0.00 175.10 178.24 3d3d n GLU 3 N 3.27 1.50 -3.77 2.72 4.07 -1.26 -4.96 120.64 122.22 3d3d n GLU 3 Ca -0.15 0.54 -0.20 0.00 -0.06 0.00 0.00 57.16 57.29 3d3d n GLU 3 Cb 0.52 -2.24 -0.01 0.00 -0.06 0.00 0.00 31.44 29.65 3d3d n GLU 3 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3d3d s ILE 4 N 1.13 4.83 0.29 6.31 2.07 -1.26 -5.05 121.20 129.53 3d3d s ILE 4 Ca 0.85 -0.97 -0.10 0.00 -1.41 0.00 0.00 60.65 59.01 3d3d s ILE 4 Cb -0.87 -3.70 0.00 0.00 0.13 0.00 0.00 42.46 38.02 3d3d s ILE 4 CO 0.46 -0.28 0.51 0.54 -1.91 0.00 0.00 174.94 174.27 3d3d s ASN 5 N -4.05 0.18 0.33 4.50 2.20 -1.26 -5.01 114.94 111.83 3d3d s ASN 5 Ca 0.38 -1.10 0.04 0.00 -0.94 0.00 0.00 52.86 51.24 3d3d s ASN 5 Cb -0.09 0.64 0.66 0.00 -2.00 0.00 0.00 41.25 40.45 3d3d s ASN 5 CO 0.30 -1.24 1.91 -1.13 -2.94 0.00 0.00 177.10 174.00 3d3d h ASN 6 N 2.19 0.78 -0.55 3.54 -1.24 -1.99 -0.16 115.58 118.15 3d3d h ASN 6 Ca -0.27 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 56.74 3d3d h ASN 6 Cb 1.25 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 40.12 3d3d h ASN 6 CO 0.37 0.47 0.30 1.56 -1.29 0.00 0.00 177.43 178.84 3d3d h GLN 7 N 0.87 0.76 -0.26 6.67 1.08 -1.91 -0.61 115.11 121.73 3d3d h GLN 7 Ca 0.39 -0.09 -0.19 0.00 -1.45 0.00 0.00 58.65 57.31 3d3d h GLN 7 Cb 0.36 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 3d3d h GLN 7 CO -0.16 0.59 -0.59 0.00 -0.95 0.00 0.00 178.83 177.72 3d3d h ARG 8 N 0.74 0.83 0.28 1.46 3.08 -1.64 -1.61 114.38 117.51 3d3d h ARG 8 Ca 0.19 -0.55 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 3d3d h ARG 8 Cb 0.05 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3d3d h ARG 8 CO -0.03 1.18 -0.13 -0.22 -1.07 0.00 0.00 179.97 179.70 3d3d h LYS 9 N 0.62 -0.36 -1.01 0.04 3.64 -0.90 -0.31 116.57 118.30 3d3d h LYS 9 Ca 0.00 0.02 0.23 0.00 -1.27 0.00 0.00 60.65 59.64 3d3d h LYS 9 Cb 1.20 0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 32.98 3d3d h LYS 9 CO 0.13 -0.19 0.60 0.00 -2.27 0.00 0.00 179.45 177.72 3d3d h ALA 10 N 0.27 1.77 0.16 5.00 0.00 -1.08 0.66 119.26 126.04 3d3d h ALA 10 Ca -0.04 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3d3d h ALA 10 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3d3d h ALA 10 CO 0.06 -0.21 -0.08 0.35 0.00 0.00 0.00 179.25 179.37 3d3d h PHE 11 N 0.63 -0.20 -0.94 0.00 3.57 -0.57 0.20 116.94 119.64 3d3d h PHE 11 Ca 0.62 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 62.16 3d3d h PHE 11 Cb 1.14 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.88 3d3d h PHE 11 CO -0.01 0.04 0.60 -0.07 -2.23 0.00 0.00 178.31 176.65 3d3d h LEU 12 N -0.41 0.99 -0.48 0.59 3.38 0.57 0.95 115.31 120.90 3d3d h LEU 12 Ca -0.02 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3d3d h LEU 12 Cb 0.33 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3d3d h LEU 12 CO 0.04 0.67 0.13 0.44 0.09 0.00 0.00 178.44 179.80 3d3d h ASP 13 N 1.15 0.09 -0.21 -0.43 5.19 0.74 0.49 116.42 123.43 3d3d h ASP 13 Ca 0.38 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.85 3d3d h ASP 13 Cb 0.06 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 3d3d h ASP 13 CO -0.14 0.08 0.08 -0.03 -3.12 0.00 0.00 179.24 176.11 3d3d h MET 14 N 0.29 0.32 -0.78 3.56 1.85 0.50 -2.47 114.93 118.21 3d3d h MET 14 Ca 0.23 -0.06 0.10 0.00 -0.61 0.00 0.00 59.70 59.36 3d3d h MET 14 Cb 0.28 -0.05 -0.07 0.00 0.43 0.00 0.00 31.60 32.18 3d3d h MET 14 CO -0.27 0.39 0.42 -0.07 -0.40 0.00 0.00 176.91 176.98 3d3d h LEU 15 N 0.18 0.58 -0.22 3.39 3.38 0.57 0.32 115.31 123.52 3d3d h LEU 15 Ca 0.07 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.15 3d3d h LEU 15 Cb 0.20 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 3d3d h LEU 15 CO -0.00 0.33 -0.16 0.00 0.09 0.00 0.00 178.44 178.69 3d3d h ALA 16 N 1.45 0.00 0.00 1.53 0.00 0.18 0.36 119.26 122.77 3d3d h ALA 16 Ca 0.38 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 3d3d h ALA 16 Cb 0.37 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3d3d h ALA 16 CO -0.26 -0.58 -0.00 2.35 0.00 0.00 0.00 179.25 180.76 3d3d h TRP 17 N -0.15 -0.00 -0.10 0.00 7.01 -0.74 -0.60 115.95 121.36 3d3d h TRP 17 Ca 0.13 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.16 3d3d h TRP 17 Cb 0.34 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.36 3d3d h TRP 17 CO -0.32 0.09 -0.15 1.03 -2.79 0.00 0.00 178.44 176.30 3d3d h SER 18 N -0.09 -0.46 0.00 2.65 0.87 0.04 -1.51 113.55 115.05 3d3d h SER 18 Ca -0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3d3d h SER 18 Cb 0.09 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3d3d h SER 18 CO 0.00 -0.20 0.00 -0.62 -0.53 0.00 0.00 176.83 175.48 3d3d n GLU 19 N -5.29 0.41 -2.17 2.24 -0.58 0.07 -4.78 120.64 110.54 3d3d n GLU 19 Ca -0.03 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.51 3d3d n GLU 19 Cb 0.21 -1.06 -0.03 0.00 -0.57 0.00 0.00 31.44 29.99 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 0.03 0.15 0.30 0.62 0.00 -0.57 -4.88 105.19 100.83 3d3d n GLY 20 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.62 1.26 -3.17 2.61 -2.24 -0.35 -4.70 114.28 104.08 3d3d n THR 21 Ca -0.22 -0.27 -0.32 0.00 -2.27 0.00 0.00 64.05 60.97 3d3d n THR 21 Cb 0.67 -1.85 -0.04 0.00 -2.10 0.00 0.00 70.33 67.01 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 -4.04 4.80 -0.19 3.42 -0.08 -0.52 -3.12 116.55 116.82 3d3d n ASP 22 Ca -0.41 -3.51 0.02 0.00 -1.51 0.00 0.00 54.79 49.37 3d3d n ASP 22 Cb 0.78 -0.82 0.03 0.00 2.34 0.00 0.00 41.12 43.45 3d3d n ASP 22 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 3d3d n ASN 23 N 0.64 1.83 0.00 1.67 6.94 -1.26 -3.43 115.26 121.66 3d3d n ASN 23 Ca 0.31 -1.60 0.00 0.00 -0.02 0.00 0.00 54.58 53.27 3d3d n ASN 23 Cb 0.38 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.76 3d3d n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3d3d n GLY 24 N 0.02 0.62 1.52 4.83 0.00 -1.26 -4.77 105.19 106.14 3d3d n GLY 24 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3d3d n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d3d n ARG 25 N -2.66 0.00 -1.65 1.61 1.74 -1.26 -5.03 116.66 109.40 3d3d n ARG 25 Ca 0.00 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.62 3d3d n ARG 25 Cb 0.01 -0.25 -0.04 0.00 -1.02 0.00 0.00 32.46 31.16 3d3d n ARG 25 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3d3d n GLN 26 N -3.14 2.29 -1.66 5.56 -0.06 -1.26 -4.87 117.38 114.24 3d3d n GLN 26 Ca 0.00 0.82 -0.45 0.00 -2.00 0.00 0.00 57.00 55.37 3d3d n GLN 26 Cb 0.12 -2.80 -0.02 0.00 -4.06 0.00 0.00 30.24 23.48 3d3d n GLN 26 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 3d3d n LYS 27 N 7.23 1.89 -3.62 3.69 4.76 -1.26 -4.76 118.16 126.08 3d3d n LYS 27 Ca 0.24 0.67 -0.11 0.00 -2.87 0.00 0.00 58.31 56.23 3d3d n LYS 27 Cb 0.34 -2.27 -0.07 0.00 -1.84 0.00 0.00 35.03 31.19 3d3d n LYS 27 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3d3d s THR 28 N -0.30 0.00 -0.12 -0.18 -1.32 -1.26 -4.89 115.64 107.58 3d3d s THR 28 Ca 0.66 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 61.21 3d3d s THR 28 Cb -0.67 -1.00 -0.24 0.00 -1.51 0.00 0.00 72.50 69.09 3d3d s THR 28 CO 0.53 0.00 0.37 0.54 -2.21 0.00 0.00 174.62 173.85 3d3d n ARG 29 N 2.21 0.68 -3.37 7.08 5.12 -1.26 -4.60 116.66 122.53 3d3d n ARG 29 Ca -0.13 0.21 -0.26 0.00 -1.93 0.00 0.00 57.85 55.74 3d3d n ARG 29 Cb 0.56 -1.69 -0.08 0.00 -1.16 0.00 0.00 32.46 30.09 3d3d n ARG 29 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3d3d n ASN 30 N -3.13 2.69 -3.97 0.55 4.05 -1.26 -4.94 115.26 109.26 3d3d n ASN 30 Ca -0.27 -3.22 -0.26 0.00 0.45 0.00 0.00 54.58 51.28 3d3d n ASN 30 Cb 1.06 -0.66 -0.07 0.00 1.23 0.00 0.00 39.78 41.34 3d3d n ASN 30 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 3d3d n HIS 31 N 1.06 -1.02 -0.88 1.20 8.25 -1.26 0.15 115.22 122.72 3d3d n HIS 31 Ca 0.27 0.46 0.00 0.00 -0.26 0.00 0.00 57.72 58.19 3d3d n HIS 31 Cb 0.44 -2.25 0.00 0.00 1.12 0.00 0.00 29.99 29.30 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 -2.25 0.57 0.28 -1.41 0.00 -1.18 -4.23 105.19 96.97 3d3d n GLY 32 Ca -0.25 0.00 0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.28 1.61 0.05 0.11 -1.06 116.97 117.40 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 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 3d3d h TYR 33 CO 0.06 0.00 0.00 -0.40 -1.05 0.00 0.00 178.16 176.77 3d3d n ASP 34 N -3.07 2.95 -4.71 3.88 5.75 -1.26 -3.07 116.55 117.02 3d3d n ASP 34 Ca 0.00 -1.86 -0.42 0.00 -0.01 0.00 0.00 54.79 52.50 3d3d n ASP 34 Cb 0.29 -0.18 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 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 -1.22 4.32 0.17 2.12 1.01 -1.10 -1.16 120.40 124.53 3d3d s VAL 35 Ca 0.28 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.93 3d3d s VAL 35 Cb 0.17 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3d3d s VAL 35 CO 0.23 0.13 0.34 -0.63 0.00 0.00 0.00 175.10 175.17 3d3d s ILE 36 N 1.04 5.26 0.64 2.22 1.01 0.19 -0.82 121.20 130.74 3d3d s ILE 36 Ca 0.56 -0.45 -0.18 0.00 0.00 0.00 0.00 60.65 60.59 3d3d s ILE 36 Cb -0.27 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 3d3d s ILE 36 CO 0.29 -0.10 1.15 0.55 0.00 0.00 0.00 174.94 176.82 3d3d n VAL 37 N -0.48 4.43 0.00 2.92 3.14 0.39 -2.28 118.33 126.45 3d3d n VAL 37 Ca -0.05 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.83 3d3d n VAL 37 Cb 0.53 -1.34 0.00 0.00 -1.06 0.00 0.00 33.84 31.98 3d3d n VAL 37 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3d3d n GLY 38 N 1.09 3.44 0.00 7.55 0.00 -1.26 -4.23 105.19 111.77 3d3d n GLY 38 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.94 2.94 3.75 -0.02 0.00 -0.97 -5.08 105.19 103.88 3d3d n GLY 39 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.57 2.56 0.21 1.61 0.41 -1.25 -4.76 118.70 116.91 3d3d s GLU 40 Ca 0.00 1.58 0.11 0.00 -0.41 0.00 0.00 54.97 56.25 3d3d s GLU 40 Cb 0.00 -1.90 -0.04 0.00 -1.78 0.00 0.00 34.13 30.40 3d3d s GLU 40 CO 0.00 -1.47 -0.19 -0.51 -0.49 0.00 0.00 175.26 172.60 3d3d s LEU 41 N -4.88 2.62 0.29 1.80 1.43 -1.26 0.56 118.68 119.24 3d3d s LEU 41 Ca 0.71 -0.82 0.10 0.00 -1.03 0.00 0.00 54.13 53.09 3d3d s LEU 41 Cb -0.25 -1.29 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 3d3d s LEU 41 CO 0.42 0.10 -0.07 0.72 0.23 0.00 0.00 176.35 177.74 3d3d s PHE 42 N -1.87 2.52 -0.13 0.29 -0.12 -0.31 -4.86 117.98 113.50 3d3d s PHE 42 Ca 0.24 -0.31 0.03 0.00 -0.05 0.00 0.00 56.93 56.83 3d3d s PHE 42 Cb -0.07 -1.20 -0.03 0.00 -0.63 0.00 0.00 43.02 41.09 3d3d s PHE 42 CO 0.12 0.62 0.12 0.25 -0.05 0.00 0.00 175.22 176.29 3d3d n THR 43 N -0.81 0.00 -3.46 -4.49 -2.24 -1.26 -4.77 114.28 97.24 3d3d n THR 43 Ca -0.05 -0.44 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 3d3d n THR 43 Cb 0.60 1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 69.76 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 -1.21 5.94 0.00 3.42 2.15 -1.26 -4.92 116.67 120.79 3d3d s ASP 44 Ca 0.01 -1.58 0.16 0.00 0.43 0.00 0.00 52.55 51.58 3d3d s ASP 44 Cb 0.02 -2.10 0.56 0.00 -0.30 0.00 0.00 42.92 41.09 3d3d s ASP 44 CO 0.10 -0.67 1.42 -1.22 -0.17 0.00 0.00 175.17 174.63 3d3d n TYR 45 N 5.08 0.33 0.22 -5.34 4.01 -1.26 -4.04 117.16 116.16 3d3d n TYR 45 Ca -0.11 -0.16 0.06 0.00 -0.16 0.00 0.00 57.90 57.52 3d3d n TYR 45 Cb 0.42 0.00 0.49 0.00 -0.31 0.00 0.00 39.34 39.94 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 2.14 0.00 -5.06 7.72 4.64 -1.91 1.42 113.55 122.50 3d3d h SER 46 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3d3d h SER 46 Cb 0.48 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.48 3d3d h SER 46 CO 0.00 0.24 0.11 -0.62 -0.87 0.00 0.00 176.83 175.69 3d3d s ASP 47 N -6.83 -0.29 0.13 4.97 2.15 -1.26 -3.54 116.67 112.00 3d3d s ASP 47 Ca -0.03 -0.49 -0.31 0.00 0.43 0.00 0.00 52.55 52.14 3d3d s ASP 47 Cb 0.15 0.64 -0.09 0.00 -0.30 0.00 0.00 42.92 43.31 3d3d s ASP 47 CO 0.69 -1.15 1.51 -2.28 -0.17 0.00 0.00 175.17 173.76 3d3d s HIS 48 N -3.88 3.03 0.59 -5.34 5.65 -1.26 -4.74 115.29 109.33 3d3d s HIS 48 Ca 0.10 0.71 0.30 0.00 0.25 0.00 0.00 55.06 56.42 3d3d s HIS 48 Cb -0.03 -3.83 1.31 0.00 -1.18 0.00 0.00 32.58 28.85 3d3d s HIS 48 CO 0.00 -3.06 1.65 -1.00 -0.65 0.00 0.00 174.74 171.68 3d3d h PRO 49 N 7.05 0.00 -3.27 2.88 0.13 -1.92 -3.45 132.00 133.43 3d3d h PRO 49 Ca -0.42 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.43 3d3d h PRO 49 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 3d3d h PRO 49 CO 0.90 0.00 -0.34 0.54 -0.23 0.00 0.00 178.00 178.87 3d3d n ARG 50 N -3.60 -1.99 -3.02 0.86 1.74 -1.26 -4.91 116.66 104.48 3d3d n ARG 50 Ca 0.18 0.69 -0.40 0.00 -0.77 0.00 0.00 57.85 57.55 3d3d n ARG 50 Cb 1.13 -5.24 -0.05 0.00 -1.02 0.00 0.00 32.46 27.28 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 -4.70 4.28 -1.26 5.56 2.20 -1.26 -4.96 119.74 119.61 3d3d s LYS 51 Ca 0.00 0.82 -0.09 0.00 -0.36 0.00 0.00 55.97 56.34 3d3d s LYS 51 Cb 0.00 -3.55 0.19 0.00 -1.51 0.00 0.00 37.83 32.95 3d3d s LYS 51 CO 0.00 -0.22 1.84 -0.11 -0.36 0.00 0.00 175.35 176.50 3d3d n LEU 52 N 4.91 6.67 -4.63 5.43 7.94 -1.26 -4.33 117.00 131.72 3d3d n LEU 52 Ca 0.01 -4.73 -0.45 0.00 -1.11 0.00 0.00 56.01 49.73 3d3d n LEU 52 Cb 0.50 -1.45 -0.04 0.00 0.53 0.00 0.00 43.42 42.96 3d3d n LEU 52 CO 0.46 1.44 1.67 0.52 -1.11 0.00 0.00 177.39 180.37 3d3d n VAL 53 N 3.02 0.53 -2.67 1.96 0.31 -0.78 -4.71 118.33 115.99 3d3d n VAL 53 Ca 0.38 -0.23 -0.42 0.00 -0.01 0.00 0.00 64.34 64.06 3d3d n VAL 53 Cb 0.36 -2.18 -0.03 0.00 -0.91 0.00 0.00 33.84 31.07 3d3d n VAL 53 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3d3d s THR 54 N 5.78 4.05 0.11 2.52 -4.23 -1.26 -1.75 115.64 120.85 3d3d s THR 54 Ca 0.96 -0.35 0.18 0.00 -1.18 0.00 0.00 61.69 61.30 3d3d s THR 54 Cb -0.53 -4.89 0.12 0.00 1.34 0.00 0.00 72.50 68.55 3d3d s THR 54 CO 0.44 -1.74 1.68 -0.07 -0.54 0.00 0.00 174.62 174.39 3d3d h LEU 55 N 12.24 0.00 -7.30 4.79 3.38 -1.33 -3.44 115.31 123.65 3d3d h LEU 55 Ca -0.09 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 3d3d h LEU 55 Cb 1.04 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.53 3d3d h LEU 55 CO 1.28 0.40 -0.34 0.20 0.09 0.00 0.00 178.44 180.06 3d3d s ASN 56 N -6.43 -0.41 0.37 -0.43 0.01 -0.49 -4.96 114.94 102.61 3d3d s ASN 56 Ca 0.01 0.75 0.02 0.00 -0.71 0.00 0.00 52.86 52.93 3d3d s ASN 56 Cb 0.10 0.67 0.14 0.00 0.41 0.00 0.00 41.25 42.57 3d3d s ASN 56 CO 0.69 -0.16 0.88 -0.65 -1.51 0.00 0.00 177.10 176.35 3d3d h PRO 57 N 6.58 0.00 -0.01 -0.60 0.11 -2.02 2.18 132.00 138.24 3d3d h PRO 57 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3d3d h PRO 57 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3d3d h PRO 57 CO 0.31 0.00 -0.05 1.63 -0.21 0.00 0.00 178.00 179.68 3d3d n LYS 58 N -1.90 0.86 -3.76 1.05 4.76 -1.26 -5.02 118.16 112.89 3d3d n LYS 58 Ca -0.00 -0.95 -0.13 0.00 -2.87 0.00 0.00 58.31 54.36 3d3d n LYS 58 Cb 0.71 -1.15 -0.13 0.00 -1.84 0.00 0.00 35.03 32.62 3d3d n LYS 58 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3d3d s LEU 59 N -1.03 0.78 0.11 -0.35 2.96 0.74 -5.12 118.68 116.77 3d3d s LEU 59 Ca 0.10 0.45 0.06 0.00 -0.22 0.00 0.00 54.13 54.52 3d3d s LEU 59 Cb 0.08 0.67 -0.04 0.00 0.50 0.00 0.00 46.19 47.41 3d3d s LEU 59 CO 0.15 -0.12 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.38 3d3d s LYS 60 N 0.77 0.99 0.01 1.98 1.02 -1.26 -0.82 119.74 122.42 3d3d s LYS 60 Ca -0.05 -1.18 -0.07 0.00 0.02 0.00 0.00 55.97 54.68 3d3d s LYS 60 Cb -0.07 -0.91 0.00 0.00 -0.52 0.00 0.00 37.83 36.33 3d3d s LYS 60 CO -0.05 0.18 0.14 0.45 -0.92 0.00 0.00 175.35 175.15 3d3d s SER 61 N -2.30 0.04 0.00 2.83 0.15 -0.72 -4.93 113.70 108.77 3d3d s SER 61 Ca 0.07 -0.23 0.13 0.00 0.70 0.00 0.00 55.95 56.61 3d3d s SER 61 Cb -0.06 0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 64.44 3d3d s SER 61 CO 0.03 -0.38 0.70 0.35 1.20 0.00 0.00 173.24 175.14 3d3d n THR 62 N 1.39 0.00 -1.57 6.45 -2.24 -1.26 -1.86 114.28 115.19 3d3d n THR 62 Ca -0.23 -0.35 -0.52 0.00 -2.27 0.00 0.00 64.05 60.69 3d3d n THR 62 Cb 0.56 1.13 -0.06 0.00 -2.10 0.00 0.00 70.33 69.86 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 1.04 0.17 3.26 3.38 0.00 -1.26 -4.48 105.19 107.30 3d3d n GLY 63 Ca 0.05 0.65 -0.09 0.00 0.00 0.00 0.00 46.02 46.62 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 0.17 -0.53 0.00 4.61 0.00 -0.19 -0.46 121.76 125.36 3d3d s ALA 64 Ca 0.81 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.39 3d3d s ALA 64 Cb -0.97 0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.75 3d3d s ALA 64 CO 0.50 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.09 3d3d n GLY 65 N -0.14 1.52 0.30 0.00 0.00 -0.00 0.56 105.19 107.43 3d3d n GLY 65 Ca -0.15 -2.03 0.14 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 0.00 -0.37 1.61 2.43 -1.12 0.21 114.38 117.14 3d3d h ARG 66 Ca 0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 3d3d h ARG 66 Cb 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 3d3d h ARG 66 CO 0.00 0.00 0.03 0.66 -1.51 0.00 0.00 179.97 179.15 3d3d n TYR 67 N -4.16 1.26 -4.00 2.20 4.02 -1.26 -4.30 117.16 110.93 3d3d n TYR 67 Ca -0.00 -1.15 -0.33 0.00 -0.01 0.00 0.00 57.90 56.41 3d3d n TYR 67 Cb 0.21 -0.44 -0.02 0.00 -0.02 0.00 0.00 39.34 39.07 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 -0.64 -0.57 -2.61 -0.72 1.13 0.06 -4.87 117.38 109.17 3d3d n GLN 68 Ca 0.28 -0.02 -0.42 0.00 -1.94 0.00 0.00 57.00 54.90 3d3d n GLN 68 Cb 1.03 -2.13 -0.03 0.00 0.11 0.00 0.00 30.24 29.22 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 -6.82 4.37 0.89 1.08 2.96 0.19 -4.09 118.68 117.26 3d3d s LEU 69 Ca 0.26 1.78 -0.12 0.00 -0.22 0.00 0.00 54.13 55.83 3d3d s LEU 69 Cb -0.14 -3.57 0.13 0.00 0.50 0.00 0.00 46.19 43.10 3d3d s LEU 69 CO 0.78 -0.33 1.09 -0.76 -1.32 0.00 0.00 176.35 175.81 3d3d s LEU 70 N 1.04 2.27 0.04 -0.68 1.43 -1.26 -1.02 118.68 120.50 3d3d s LEU 70 Ca 0.54 1.46 -0.19 0.00 -1.03 0.00 0.00 54.13 54.92 3d3d s LEU 70 Cb -0.24 -3.89 -0.15 0.00 0.03 0.00 0.00 46.19 41.94 3d3d s LEU 70 CO 0.28 -2.59 1.29 0.77 0.23 0.00 0.00 176.35 176.32 3d3d h SER 71 N -1.52 0.53 -0.71 2.29 4.64 -1.97 -1.62 113.55 115.20 3d3d h SER 71 Ca -0.49 -0.57 0.15 0.00 -0.47 0.00 0.00 61.79 60.41 3d3d h SER 71 Cb 1.28 -0.15 -0.11 0.00 -0.31 0.00 0.00 62.40 63.11 3d3d h SER 71 CO 0.55 1.00 0.12 -0.09 -0.87 0.00 0.00 176.83 177.54 3d3d h ARG 72 N 0.08 0.21 0.00 4.77 9.65 -1.98 0.11 114.38 127.22 3d3d h ARG 72 Ca 0.00 -0.01 -0.14 0.00 -1.10 0.00 0.00 59.98 58.72 3d3d h ARG 72 Cb 0.92 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.44 3d3d h ARG 72 CO 0.07 0.14 -0.69 -1.49 2.80 0.00 0.00 179.97 180.80 3d3d h TRP 73 N 0.21 0.00 -0.18 2.20 4.06 -1.94 -3.03 115.95 117.27 3d3d h TRP 73 Ca 0.39 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.32 3d3d h TRP 73 Cb 0.67 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.82 3d3d h TRP 73 CO -0.30 0.69 0.01 2.35 -3.56 0.00 0.00 178.44 177.63 3d3d h TRP 74 N 0.00 0.34 -0.28 0.49 2.91 -0.16 -1.79 115.95 117.45 3d3d h TRP 74 Ca -0.01 -0.05 0.07 0.00 1.13 0.00 0.00 58.89 60.03 3d3d h TRP 74 Cb 1.45 -0.09 -0.08 0.00 -0.51 0.00 0.00 29.16 29.93 3d3d h TRP 74 CO 0.00 0.49 -0.27 -0.44 -1.03 0.00 0.00 178.44 177.20 3d3d h ASP 75 N 0.08 -0.86 0.85 2.65 3.32 -0.82 0.26 116.42 121.91 3d3d h ASP 75 Ca 0.05 0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 3d3d h ASP 75 Cb 0.35 0.41 0.01 0.00 0.22 0.00 0.00 39.33 40.31 3d3d h ASP 75 CO 0.01 -0.29 -0.43 0.00 -1.72 0.00 0.00 179.24 176.81 3d3d h ALA 76 N 0.78 -1.17 -0.80 3.45 0.00 -1.44 -2.88 119.26 117.20 3d3d h ALA 76 Ca 0.15 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.88 3d3d h ALA 76 Cb 0.49 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3d3d h ALA 76 CO -0.43 -1.16 0.52 1.88 0.00 0.00 0.00 179.25 180.06 3d3d h TYR 77 N -1.17 0.84 -0.03 0.00 0.05 -1.10 0.46 116.97 116.02 3d3d h TYR 77 Ca -0.12 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.72 3d3d h TYR 77 Cb 0.90 -0.27 -0.06 0.00 1.01 0.00 0.00 36.73 38.31 3d3d h TYR 77 CO -0.03 0.41 -0.47 -0.09 -1.05 0.00 0.00 178.16 176.94 3d3d h ARG 78 N 0.80 -0.58 -0.31 4.88 2.43 -0.41 0.74 114.38 121.93 3d3d h ARG 78 Ca 0.36 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.55 3d3d h ARG 78 Cb 0.34 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3d3d h ARG 78 CO -0.13 -0.39 0.13 -0.22 -1.51 0.00 0.00 179.97 177.85 3d3d h LYS 79 N -0.60 0.46 0.60 0.20 3.64 -1.00 0.78 116.57 120.65 3d3d h LYS 79 Ca 0.04 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3d3d h LYS 79 Cb 0.68 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3d3d h LYS 79 CO -0.35 0.45 -0.38 0.37 -2.27 0.00 0.00 179.45 177.27 3d3d h GLN 80 N 0.36 -0.89 -0.00 1.90 4.15 0.18 -3.09 115.11 117.72 3d3d h GLN 80 Ca 0.10 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3d3d h GLN 80 Cb 0.16 0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.05 3d3d h GLN 80 CO -0.01 -0.59 -0.02 1.28 -1.93 0.00 0.00 178.83 177.56 3d3d n LEU 81 N -4.76 0.15 -3.14 -2.39 4.77 0.22 -4.93 117.00 106.93 3d3d n LEU 81 Ca -0.11 0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 55.80 3d3d n LEU 81 Cb 0.38 -0.13 0.07 0.00 -2.33 0.00 0.00 43.42 41.41 3d3d n LEU 81 CO 0.26 0.03 0.08 0.61 -1.33 0.00 0.00 177.39 177.03 3d3d n GLY 82 N 1.16 -0.49 3.59 -0.72 0.00 0.19 -4.84 105.19 104.07 3d3d n GLY 82 Ca 0.19 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 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 -5.65 4.13 0.19 0.99 1.43 0.22 -4.93 118.68 115.04 3d3d s LEU 83 Ca 0.13 0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 53.46 3d3d s LEU 83 Cb -0.02 -3.04 0.11 0.00 0.03 0.00 0.00 46.19 43.27 3d3d s LEU 83 CO 0.65 -0.75 1.83 0.11 0.23 0.00 0.00 176.35 178.43 3d3d h LYS 84 N 8.50 0.87 0.00 1.70 1.79 -1.91 -3.45 116.57 124.07 3d3d h LYS 84 Ca -0.25 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 3d3d h LYS 84 Cb 1.09 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 3d3d h LYS 84 CO 0.92 0.61 0.00 -0.40 -1.08 0.00 0.00 179.45 179.50 3d3d n ASP 85 N -4.59 0.26 -0.98 0.86 5.68 -1.26 -4.90 116.55 111.62 3d3d n ASP 85 Ca 0.05 -0.89 -0.00 0.00 -0.50 0.00 0.00 54.79 53.44 3d3d n ASP 85 Cb 0.05 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.23 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 0.00 0.82 -0.74 2.11 7.35 0.49 -4.71 117.46 122.78 3d3d n PHE 86 Ca 0.00 -1.48 -0.29 0.00 -0.76 0.00 0.00 57.45 54.92 3d3d n PHE 86 Cb 0.00 -0.41 0.24 0.00 0.35 0.00 0.00 39.48 39.66 3d3d n PHE 86 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3d3d s SER 87 N -2.63 1.00 0.29 -2.13 1.04 -1.12 -4.43 113.70 105.73 3d3d s SER 87 Ca 0.43 1.20 0.03 0.00 0.48 0.00 0.00 55.95 58.09 3d3d s SER 87 Cb 0.39 -1.84 0.67 0.00 0.10 0.00 0.00 66.02 65.34 3d3d s SER 87 CO -0.00 -4.14 1.75 -0.65 0.98 0.00 0.00 173.24 171.18 3d3d h PRO 88 N -2.58 0.62 -0.46 4.02 0.11 -1.94 0.58 132.00 132.35 3d3d h PRO 88 Ca -0.56 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.48 3d3d h PRO 88 Cb 1.33 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3d3d h PRO 88 CO 0.48 0.41 0.17 -0.22 -0.21 0.00 0.00 178.00 178.63 3d3d h LYS 89 N 0.64 0.70 -0.44 1.05 3.64 -1.97 1.44 116.57 121.64 3d3d h LYS 89 Ca 0.54 -0.14 -0.13 0.00 -1.27 0.00 0.00 60.65 59.65 3d3d h LYS 89 Cb 0.86 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3d3d h LYS 89 CO -0.41 0.65 -0.23 0.77 -2.27 0.00 0.00 179.45 177.97 3d3d h SER 90 N 0.61 0.96 -0.31 4.20 0.02 -1.40 1.85 113.55 119.48 3d3d h SER 90 Ca 0.15 -0.41 -0.02 0.00 -0.84 0.00 0.00 61.79 60.67 3d3d h SER 90 Cb 0.22 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3d3d h SER 90 CO -0.01 1.16 0.11 1.56 -1.14 0.00 0.00 176.83 178.51 3d3d h GLN 91 N 0.76 0.47 0.35 3.45 4.20 0.40 1.02 115.11 125.76 3d3d h GLN 91 Ca 0.10 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 3d3d h GLN 91 Cb 0.80 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.52 3d3d h GLN 91 CO 0.07 0.49 -0.17 -0.44 -0.67 0.00 0.00 178.83 178.11 3d3d h ASP 92 N 0.35 -0.40 0.02 1.46 5.19 0.22 0.22 116.42 123.48 3d3d h ASP 92 Ca 0.10 -0.03 0.03 0.00 -0.62 0.00 0.00 57.03 56.51 3d3d h ASP 92 Cb 0.20 0.10 -0.05 0.00 0.18 0.00 0.00 39.33 39.77 3d3d h ASP 92 CO -0.01 -0.23 -0.38 0.00 -3.12 0.00 0.00 179.24 175.50 3d3d h ALA 93 N 0.08 -0.61 -0.30 3.45 0.00 0.31 1.60 119.26 123.80 3d3d h ALA 93 Ca -0.05 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3d3d h ALA 93 Cb 0.41 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3d3d h ALA 93 CO 0.08 -0.92 0.11 0.28 0.00 0.00 0.00 179.25 178.81 3d3d h VAL 94 N -0.55 0.93 0.02 0.00 2.07 0.12 1.93 116.25 120.77 3d3d h VAL 94 Ca 0.05 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.51 3d3d h VAL 94 Cb 0.63 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3d3d h VAL 94 CO -0.29 0.05 -0.28 0.00 0.02 0.00 0.00 177.57 177.07 3d3d h ALA 95 N 1.18 -0.40 -0.05 1.67 0.00 0.26 1.21 119.26 123.14 3d3d h ALA 95 Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3d3d h ALA 95 Cb 0.09 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3d3d h ALA 95 CO -0.13 -0.79 -0.13 -0.07 0.00 0.00 0.00 179.25 178.14 3d3d h LEU 96 N -0.44 0.06 0.06 0.00 3.38 0.32 1.04 115.31 119.73 3d3d h LEU 96 Ca 0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3d3d h LEU 96 Cb 0.51 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3d3d h LEU 96 CO -0.23 0.20 -0.03 -0.61 0.09 0.00 0.00 178.44 177.86 3d3d h GLN 97 N 0.07 -0.08 -0.54 1.13 5.75 0.43 1.13 115.11 122.99 3d3d h GLN 97 Ca 0.01 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.59 3d3d h GLN 97 Cb 0.27 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.78 3d3d h GLN 97 CO 0.02 0.47 0.21 1.96 -2.65 0.00 0.00 178.83 178.84 3d3d h GLN 98 N -0.72 0.39 -0.32 1.69 4.20 0.19 1.02 115.11 121.55 3d3d h GLN 98 Ca -0.01 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3d3d h GLN 98 Cb 0.59 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 3d3d h GLN 98 CO 0.01 0.25 0.06 0.82 -0.67 0.00 0.00 178.83 179.31 3d3d h ILE 99 N 0.40 1.16 -0.07 2.54 2.04 0.12 -0.71 117.51 122.99 3d3d h ILE 99 Ca 0.26 -0.60 -0.18 0.00 1.00 0.00 0.00 64.86 65.34 3d3d h ILE 99 Cb 0.28 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3d3d h ILE 99 CO -0.25 0.21 -0.73 0.50 0.00 0.00 0.00 178.15 177.88 3d3d h LYS 100 N 0.47 0.39 0.00 2.37 3.64 0.52 -0.79 116.57 123.17 3d3d h LYS 100 Ca 0.11 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 3d3d h LYS 100 Cb 0.22 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3d3d h LYS 100 CO -0.00 0.96 -0.05 0.93 -2.27 0.00 0.00 179.45 179.02 3d3d h GLU 101 N 0.26 0.00 -0.45 1.90 5.08 0.17 0.19 114.58 121.72 3d3d h GLU 101 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3d3d h GLU 101 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3d3d h GLU 101 CO 0.13 0.05 0.00 0.54 -1.00 0.00 0.00 179.01 178.73 3d3d n ARG 102 N -3.17 2.17 -2.33 2.33 5.12 -0.35 -4.92 116.66 115.50 3d3d n ARG 102 Ca 0.01 -1.80 -0.11 0.00 -1.93 0.00 0.00 57.85 54.01 3d3d n ARG 102 Cb 0.34 -1.41 -0.01 0.00 -1.16 0.00 0.00 32.46 30.21 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 1.32 -0.34 0.07 -0.13 0.00 0.65 -4.83 105.19 101.93 3d3d n GLY 103 Ca 0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.98 2.65 -0.02 4.61 0.00 -0.33 -4.20 120.51 121.23 3d3d n ALA 104 Ca -0.13 -0.23 -0.12 0.00 0.00 0.00 0.00 53.44 52.96 3d3d n ALA 104 Cb 0.58 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 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 0.36 0.16 -1.35 0.00 3.38 -1.88 -0.73 115.31 115.26 3d3d h LEU 105 Ca 0.00 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 3d3d h LEU 105 Cb 0.19 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3d3d h LEU 105 CO 0.00 0.31 0.03 -0.65 0.09 0.00 0.00 178.44 178.22 3d3d h PRO 106 N 0.00 0.47 0.37 1.13 0.11 -1.97 -0.37 132.00 131.75 3d3d h PRO 106 Ca 0.04 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 3d3d h PRO 106 Cb 0.20 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 3d3d h PRO 106 CO -0.00 0.47 -0.21 0.52 -0.21 0.00 0.00 178.00 178.58 3d3d h MET 107 N 0.46 -0.52 -0.02 1.05 2.86 -1.74 -1.22 114.93 115.80 3d3d h MET 107 Ca 0.10 0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3d3d h MET 107 Cb 0.25 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 3d3d h MET 107 CO 0.00 -0.35 -0.03 0.82 1.06 0.00 0.00 176.91 178.42 3d3d h ILE 108 N -0.54 0.91 -0.70 -1.22 2.04 -0.83 -0.59 117.51 116.57 3d3d h ILE 108 Ca -0.05 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.97 3d3d h ILE 108 Cb 0.43 0.91 -0.12 0.00 -0.74 0.00 0.00 36.82 37.31 3d3d h ILE 108 CO 0.06 0.00 -0.02 0.44 0.00 0.00 0.00 178.15 178.63 3d3d h ASP 109 N -0.04 -0.36 -0.13 1.72 5.19 -0.88 -1.56 116.42 120.36 3d3d h ASP 109 Ca 0.02 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 3d3d h ASP 109 Cb 0.07 0.33 0.00 0.00 0.18 0.00 0.00 39.33 39.91 3d3d h ASP 109 CO -0.05 -0.16 0.00 -2.11 -3.12 0.00 0.00 179.24 173.80 3d3d n ARG 110 N -5.34 1.41 0.00 3.56 1.85 -0.48 -4.90 116.66 112.76 3d3d n ARG 110 Ca 0.11 -0.62 0.00 0.00 -1.00 0.00 0.00 57.85 56.34 3d3d n ARG 110 Cb 0.42 -1.26 0.00 0.00 -1.05 0.00 0.00 32.46 30.56 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 0.90 2.32 3.44 2.89 0.00 -0.59 -4.71 105.19 109.44 3d3d n GLY 111 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 3.97 0.07 1.61 8.00 -0.25 -2.10 116.55 127.85 3d3d n ASP 112 Ca 0.00 -2.81 -0.09 0.00 0.71 0.00 0.00 54.79 52.60 3d3d n ASP 112 Cb 0.00 -1.68 -0.10 0.00 -0.02 0.00 0.00 41.12 39.32 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 5.49 1.65 -0.66 0.53 1.08 -1.88 -3.12 117.51 120.59 3d3d h ILE 113 Ca 0.38 -3.23 -0.07 0.00 -0.39 0.00 0.00 64.86 61.55 3d3d h ILE 113 Cb 0.85 2.80 -0.03 0.00 -3.07 0.00 0.00 36.82 37.37 3d3d h ILE 113 CO 1.48 0.93 0.14 0.03 -0.69 0.00 0.00 178.15 180.03 3d3d h ARG 114 N 0.02 1.06 -0.58 2.37 3.08 -1.95 0.30 114.38 118.69 3d3d h ARG 114 Ca -0.04 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.70 3d3d h ARG 114 Cb 1.75 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.64 3d3d h ARG 114 CO 0.14 0.95 0.15 1.96 -1.07 0.00 0.00 179.97 182.10 3d3d h GLN 115 N 1.00 0.92 -0.09 0.04 4.20 -1.97 0.17 115.11 119.38 3d3d h GLN 115 Ca 0.21 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3d3d h GLN 115 Cb 0.38 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 3d3d h GLN 115 CO 0.01 0.84 0.04 0.00 -0.67 0.00 0.00 178.83 179.05 3d3d h ALA 116 N 1.03 0.12 0.05 3.87 0.00 -1.42 0.53 119.26 123.43 3d3d h ALA 116 Ca 0.18 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3d3d h ALA 116 Cb 0.33 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3d3d h ALA 116 CO 0.00 -0.31 -0.43 0.82 0.00 0.00 0.00 179.25 179.33 3d3d h ILE 117 N 0.01 0.13 -0.59 0.00 2.04 -0.60 0.25 117.51 118.75 3d3d h ILE 117 Ca 0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.96 3d3d h ILE 117 Cb 0.15 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.30 3d3d h ILE 117 CO -0.00 0.00 0.28 -0.78 0.00 0.00 0.00 178.15 177.65 3d3d h ASP 118 N -0.62 0.36 -0.85 1.72 1.82 -0.45 -1.07 116.42 117.33 3d3d h ASP 118 Ca 0.03 0.05 0.09 0.00 -0.39 0.00 0.00 57.03 56.81 3d3d h ASP 118 Cb 0.68 -0.01 -0.07 0.00 0.68 0.00 0.00 39.33 40.60 3d3d h ASP 118 CO -0.29 0.23 0.51 -0.09 -1.61 0.00 0.00 179.24 177.99 3d3d h ARG 119 N 0.51 0.85 -0.00 0.28 9.65 0.81 -2.03 114.38 124.45 3d3d h ARG 119 Ca 0.28 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 3d3d h ARG 119 Cb 0.25 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 3d3d h ARG 119 CO -0.22 0.56 -0.09 0.00 2.80 0.00 0.00 179.97 183.02 3d3d h SER 121 N 0.20 -0.92 0.05 0.00 4.64 -0.50 0.50 113.55 117.52 3d3d h SER 121 Ca 0.00 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3d3d h SER 121 Cb 0.38 0.53 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3d3d h SER 121 CO 0.00 -0.27 0.00 -0.46 -0.87 0.00 0.00 176.83 175.23 3d3d n ASN 122 N -5.48 0.00 -0.09 4.97 6.94 -1.26 -1.73 115.26 118.60 3d3d n ASN 122 Ca 0.09 -0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.52 3d3d n ASN 122 Cb 0.38 -0.13 -0.14 0.00 -2.36 0.00 0.00 39.78 37.53 3d3d n ASN 122 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 3d3d n ILE 123 N -1.13 1.47 -3.90 1.53 2.08 0.17 -4.90 119.36 114.68 3d3d n ILE 123 Ca 0.04 -0.76 -0.27 0.00 0.56 0.00 0.00 62.75 62.31 3d3d n ILE 123 Cb 0.03 -0.88 -0.17 0.00 -0.75 0.00 0.00 39.64 37.87 3d3d n ILE 123 CO 0.00 0.00 0.00 0.26 0.56 0.00 0.00 176.55 177.37 3d3d s TRP 124 N -2.52 1.59 -0.05 1.39 0.51 -0.70 -5.01 118.94 114.15 3d3d s TRP 124 Ca -0.17 -0.92 0.26 0.00 -2.12 0.00 0.00 56.10 53.15 3d3d s TRP 124 Cb 0.07 -1.27 1.41 0.00 -0.81 0.00 0.00 33.47 32.87 3d3d s TRP 124 CO 0.76 -0.57 1.80 0.00 -0.51 0.00 0.00 176.95 178.43 3d3d h ALA 125 N 8.15 1.00 0.00 0.98 0.00 -1.91 -1.42 119.26 126.06 3d3d h ALA 125 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3d3d h ALA 125 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3d3d h ALA 125 CO 0.40 0.00 -0.38 -1.13 0.00 0.00 0.00 179.25 178.14 3d3d n SER 126 N -2.42 0.73 -4.76 0.00 3.41 -1.26 -4.46 113.62 104.86 3d3d n SER 126 Ca -0.02 0.28 -0.40 0.00 -0.26 0.00 0.00 58.87 58.48 3d3d n SER 126 Cb 0.05 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 63.76 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 -4.29 4.57 0.03 1.04 1.43 -0.54 0.27 118.68 121.20 3d3d s LEU 127 Ca 0.08 2.21 -0.32 0.00 -1.03 0.00 0.00 54.13 55.07 3d3d s LEU 127 Cb 0.13 -3.63 -0.11 0.00 0.03 0.00 0.00 46.19 42.61 3d3d s LEU 127 CO 0.67 -0.09 1.85 -2.65 0.23 0.00 0.00 176.35 176.36 3d3d n PRO 128 N 1.23 2.50 0.00 1.29 -0.02 -1.24 -1.10 135.00 137.65 3d3d n PRO 128 Ca -0.01 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3d3d n PRO 128 Cb 0.45 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 3d3d n PRO 128 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d3d n GLY 129 N 4.25 0.22 0.37 -1.23 0.00 -1.26 -4.78 105.19 102.76 3d3d n GLY 129 Ca 0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 1.67 -1.41 4.61 0.00 -1.27 -3.43 119.26 119.42 3d3d h ALA 130 Ca 0.00 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3d3d h ALA 130 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3d3d h ALA 130 CO 0.00 0.06 -0.21 0.41 0.00 0.00 0.00 179.25 179.51 3d3d n GLY 131 N -1.38 0.10 1.35 0.00 0.00 -1.26 -4.54 105.19 99.46 3d3d n GLY 131 Ca 0.19 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.91 0.94 -1.03 1.61 4.02 -1.26 -4.93 117.16 112.59 3d3d n TYR 132 Ca -0.08 -0.47 -0.01 0.00 -0.01 0.00 0.00 57.90 57.33 3d3d n TYR 132 Cb 0.56 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.88 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 1.66 0.46 3.98 2.72 0.00 -1.26 -5.02 105.19 107.74 3d3d n GLY 133 Ca 0.24 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.94 1.34 -0.64 1.61 -1.52 -1.26 -5.01 119.66 113.23 3d3d s GLN 134 Ca 0.00 -1.03 -0.27 0.00 -1.95 0.00 0.00 55.36 52.11 3d3d s GLN 134 Cb 0.00 -2.22 -0.01 0.00 -0.22 0.00 0.00 33.01 30.57 3d3d s GLN 134 CO 0.00 -1.74 1.70 0.12 -0.25 0.00 0.00 175.29 175.12 3d3d s PHE 135 N -3.34 1.83 0.06 0.91 5.36 -1.26 -5.01 117.98 116.53 3d3d s PHE 135 Ca 0.69 0.56 -0.08 0.00 -0.96 0.00 0.00 56.93 57.14 3d3d s PHE 135 Cb -0.04 -4.24 -0.05 0.00 -0.34 0.00 0.00 43.02 38.35 3d3d s PHE 135 CO 0.47 -2.25 0.34 -1.21 -1.46 0.00 0.00 175.22 171.11 3d3d s GLU 136 N 6.68 3.67 1.04 10.12 2.02 -1.26 -4.66 118.70 136.30 3d3d s GLU 136 Ca 0.59 0.04 -0.15 0.00 0.02 0.00 0.00 54.97 55.47 3d3d s GLU 136 Cb -0.11 -3.02 0.21 0.00 0.10 0.00 0.00 34.13 31.31 3d3d s GLU 136 CO 0.19 0.59 1.14 -1.01 0.02 0.00 0.00 175.26 176.19 3d3d s HIS 137 N -1.38 1.61 -0.14 1.61 3.76 0.14 -4.84 115.29 116.04 3d3d s HIS 137 Ca 0.32 0.69 -0.11 0.00 -0.15 0.00 0.00 55.06 55.81 3d3d s HIS 137 Cb -0.13 -3.47 -0.05 0.00 1.11 0.00 0.00 32.58 30.04 3d3d s HIS 137 CO 0.18 -3.06 0.22 0.15 -0.85 0.00 0.00 174.74 171.38 3d3d s LYS 138 N -5.32 3.99 0.48 1.40 1.02 -1.26 -3.65 119.74 116.40 3d3d s LYS 138 Ca 0.68 -0.02 0.22 0.00 0.02 0.00 0.00 55.97 56.87 3d3d s LYS 138 Cb -0.13 -3.34 1.25 0.00 -0.52 0.00 0.00 37.83 35.09 3d3d s LYS 138 CO 0.55 0.44 1.93 0.00 -0.92 0.00 0.00 175.35 177.36 3d3d h ALA 139 N 6.02 2.38 -0.09 5.17 0.00 -1.96 0.98 119.26 131.76 3d3d h ALA 139 Ca -0.46 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.22 3d3d h ALA 139 Cb 1.18 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.99 3d3d h ALA 139 CO 0.70 -0.59 -0.80 -0.44 0.00 0.00 0.00 179.25 178.12 3d3d h ASP 140 N 0.20 0.87 -0.13 0.00 3.32 -1.97 2.11 116.42 120.82 3d3d h ASP 140 Ca 0.35 -0.67 -0.06 0.00 0.02 0.00 0.00 57.03 56.67 3d3d h ASP 140 Cb 1.09 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 3d3d h ASP 140 CO -0.07 1.41 -0.09 0.28 -1.72 0.00 0.00 179.24 179.05 3d3d h SER 141 N 0.40 0.44 -0.07 6.45 0.02 -1.25 0.38 113.55 119.92 3d3d h SER 141 Ca -0.07 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.72 3d3d h SER 141 Cb 1.45 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.87 3d3d h SER 141 CO 0.16 0.58 -0.18 -0.07 -1.14 0.00 0.00 176.83 176.18 3d3d h LEU 142 N 0.43 0.29 -0.47 5.07 3.38 0.14 -1.57 115.31 122.58 3d3d h LEU 142 Ca 0.09 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 3d3d h LEU 142 Cb 0.43 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3d3d h LEU 142 CO 0.02 0.82 0.23 0.40 0.09 0.00 0.00 178.44 180.01 3d3d h ILE 143 N -0.24 1.18 -0.20 1.22 1.08 0.36 0.22 117.51 121.14 3d3d h ILE 143 Ca -0.00 -0.51 0.03 0.00 -0.39 0.00 0.00 64.86 63.99 3d3d h ILE 143 Cb 0.79 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 35.16 3d3d h ILE 143 CO 0.04 0.20 0.02 0.00 -0.69 0.00 0.00 178.15 177.72 3d3d h ALA 144 N 1.08 0.19 0.00 1.87 0.00 -0.96 0.74 119.26 122.17 3d3d h ALA 144 Ca 0.16 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3d3d h ALA 144 Cb 0.10 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3d3d h ALA 144 CO -0.02 -0.41 -0.12 0.87 0.00 0.00 0.00 179.25 179.57 3d3d h LYS 145 N 0.10 0.00 -0.05 0.00 1.79 -0.74 0.34 116.57 118.01 3d3d h LYS 145 Ca 0.09 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.54 3d3d h LYS 145 Cb 0.10 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3d3d h LYS 145 CO -0.13 0.12 -0.04 0.35 -1.08 0.00 0.00 179.45 178.67 3d3d h PHE 146 N 0.00 0.13 -0.40 -1.35 3.57 0.19 -1.25 116.94 117.84 3d3d h PHE 146 Ca -0.00 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.49 3d3d h PHE 146 Cb 0.22 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 3d3d h PHE 146 CO 0.00 0.55 0.19 0.87 -2.23 0.00 0.00 178.31 177.68 3d3d h LYS 147 N -0.32 0.37 0.00 1.11 1.57 0.12 0.25 116.57 119.67 3d3d h LYS 147 Ca 0.01 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3d3d h LYS 147 Cb 0.52 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 3d3d h LYS 147 CO 0.01 0.25 -0.01 0.93 -0.57 0.00 0.00 179.45 180.06 3d3d h GLU 148 N 0.38 0.00 0.00 3.15 5.08 -0.95 0.61 114.58 122.85 3d3d h GLU 148 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3d3d h GLU 148 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3d3d h GLU 148 CO -0.13 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 177.89 3d3d n ALA 149 N -2.10 2.53 -0.47 3.43 0.00 0.83 -4.85 120.51 119.89 3d3d n ALA 149 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3d3d n ALA 149 Cb 0.20 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 0.72 1.00 3.76 0.00 0.00 0.21 -4.49 105.19 106.39 3d3d n GLY 150 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.67 2.99 0.74 -0.02 0.00 -0.95 -4.95 107.32 103.45 3d3d s GLY 151 Ca 0.00 0.65 -0.11 0.00 0.00 0.00 0.00 44.72 45.27 3d3d s GLY 151 CO 0.00 1.18 1.11 -1.59 0.00 0.00 0.00 173.10 173.80 3d3d s THR 152 N -1.34 2.64 0.10 0.90 2.01 -1.26 -4.13 115.64 114.56 3d3d s THR 152 Ca 0.46 0.12 -0.07 0.00 0.31 0.00 0.00 61.69 62.51 3d3d s THR 152 Cb -0.25 -3.19 -0.01 0.00 0.01 0.00 0.00 72.50 69.06 3d3d s THR 152 CO 0.31 -0.24 0.15 -0.69 -0.69 0.00 0.00 174.62 173.46 3d3d s VAL 153 N -3.42 0.14 0.00 3.82 1.01 -1.26 -4.59 120.40 116.11 3d3d s VAL 153 Ca 0.60 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3d3d s VAL 153 Cb -0.11 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3d3d s VAL 153 CO 0.49 -0.66 0.00 -1.14 0.00 0.00 0.00 175.10 173.79