#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xee n SER 32 N 0.00 8.56 -2.60 6.41 7.64 -1.26 -4.74 113.62 127.63 1xee n SER 32 Ca 0.00 -2.65 -0.34 0.00 1.01 0.00 0.00 58.87 56.89 1xee n SER 32 Cb 0.00 -1.53 0.03 0.00 -1.01 0.00 0.00 64.21 61.71 1xee n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xee n GLY 33 N 3.28 5.81 3.51 0.23 0.00 -1.26 -5.05 105.19 111.71 1xee n GLY 33 Ca 0.75 -2.56 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 1xee n GLY 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xee n LEU 34 N -0.60 0.10 0.00 0.99 4.32 -1.26 -5.00 117.00 115.54 1xee n LEU 34 Ca 0.50 -0.14 -0.02 0.00 -0.02 0.00 0.00 56.01 56.34 1xee n LEU 34 Cb 0.50 -0.92 -0.01 0.00 -1.62 0.00 0.00 43.42 41.38 1xee n LEU 34 CO 0.49 -1.06 0.50 -0.65 -1.22 0.00 0.00 177.39 175.45 1xee h PRO 35 N 12.52 -0.06 -2.34 3.23 0.11 -2.01 -3.39 132.00 140.05 1xee h PRO 35 Ca -0.04 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.66 1xee h PRO 35 Cb 1.25 0.01 -0.35 0.00 0.11 0.00 0.00 31.00 32.02 1xee h PRO 35 CO 1.41 -0.04 -0.70 0.99 -0.21 0.00 0.00 178.00 179.45 1xee s THR 36 N -3.28 -0.26 -0.01 -1.15 2.01 -1.26 -5.12 115.64 106.57 1xee s THR 36 Ca -0.02 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.26 1xee s THR 36 Cb 0.01 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 1xee s THR 36 CO 0.06 -0.60 0.03 0.42 -0.69 0.00 0.00 174.62 173.84 1xee s THR 37 N 2.07 4.38 0.17 -0.82 -4.23 -1.26 -0.90 115.64 115.05 1xee s THR 37 Ca 0.11 -0.50 -0.15 0.00 -1.18 0.00 0.00 61.69 59.96 1xee s THR 37 Cb -0.15 -2.97 0.06 0.00 1.34 0.00 0.00 72.50 70.79 1xee s THR 37 CO -0.28 0.38 1.72 0.25 -0.54 0.00 0.00 174.62 176.15 1xee h LEU 38 N 4.31 -0.04 -1.91 4.79 5.85 -0.26 -1.66 115.31 126.39 1xee h LEU 38 Ca -0.49 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 1xee h LEU 38 Cb 1.18 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 1xee h LEU 38 CO 0.59 0.02 -0.08 1.23 -0.34 0.00 0.00 178.44 179.85 1xee h GLY 39 N 0.18 0.00 1.22 3.75 0.00 -1.28 0.14 103.07 107.09 1xee h GLY 39 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.20 1xee h GLY 39 CO -0.28 0.00 -1.53 0.50 0.00 0.00 0.00 176.54 175.23 1xee h LYS 40 N 0.00 0.38 0.31 4.80 1.79 -1.60 -2.65 116.57 119.61 1xee h LYS 40 Ca -0.00 -0.66 -0.02 0.00 -2.18 0.00 0.00 60.65 57.80 1xee h LYS 40 Cb 0.36 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1xee h LYS 40 CO 0.01 1.29 -0.15 1.25 -1.08 0.00 0.00 179.45 180.77 1xee h LEU 41 N 0.10 -0.35 -0.80 2.94 5.85 -1.17 -2.70 115.31 119.18 1xee h LEU 41 Ca -0.26 -0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.46 1xee h LEU 41 Cb 2.08 0.09 -0.13 0.00 0.37 0.00 0.00 40.66 43.08 1xee h LEU 41 CO 0.21 -0.10 -0.47 -0.78 -0.34 0.00 0.00 178.44 176.96 1xee h ASP 42 N -0.61 -1.66 -0.98 1.25 3.58 -0.83 0.40 116.42 117.58 1xee h ASP 42 Ca -0.04 0.29 0.20 0.00 0.42 0.00 0.00 57.03 57.89 1xee h ASP 42 Cb 0.44 0.78 -0.11 0.00 1.72 0.00 0.00 39.33 42.16 1xee h ASP 42 CO 0.07 -0.30 0.57 -0.08 -2.88 0.00 0.00 179.24 176.63 1xee h GLU 43 N -0.11 0.67 0.03 0.28 4.81 -1.46 -0.80 114.58 118.00 1xee h GLU 43 Ca 0.22 -0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 59.20 1xee h GLU 43 Cb 0.53 -0.15 0.02 0.00 0.63 0.00 0.00 28.75 29.78 1xee h GLU 43 CO -0.84 0.44 -0.86 0.00 -0.73 0.00 0.00 179.01 177.03 1xee h ARG 44 N 0.69 0.52 -0.22 1.92 3.08 -0.92 -3.21 114.38 116.23 1xee h ARG 44 Ca 0.58 -0.61 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1xee h ARG 44 Cb 0.94 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1xee h ARG 44 CO -0.41 1.23 0.14 -0.07 -1.07 0.00 0.00 179.97 179.79 1xee h LEU 45 N 0.08 0.26 -0.56 3.04 3.38 0.46 0.74 115.31 122.71 1xee h LEU 45 Ca -0.12 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1xee h LEU 45 Cb 1.56 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.19 1xee h LEU 45 CO 0.17 0.21 0.29 0.03 0.09 0.00 0.00 178.44 179.23 1xee h ARG 46 N 0.29 0.54 -0.40 1.13 3.08 -1.26 0.33 114.38 118.08 1xee h ARG 46 Ca 0.08 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 1xee h ARG 46 Cb -0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1xee h ARG 46 CO -0.02 0.36 -0.14 -0.91 -1.07 0.00 0.00 179.97 178.19 1xee h ASN 47 N 0.56 0.73 -0.13 7.04 2.35 -1.50 -2.12 115.58 122.51 1xee h ASN 47 Ca 0.25 -0.23 -0.21 0.00 -0.55 0.00 0.00 56.30 55.56 1xee h ASN 47 Cb 0.15 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.33 1xee h ASN 47 CO -0.16 0.89 -0.72 0.22 -1.65 0.00 0.00 177.43 176.00 1xee h TYR 48 N 0.67 1.01 0.18 1.19 3.20 -0.03 -0.75 116.97 122.44 1xee h TYR 48 Ca 0.11 -0.43 -0.00 0.00 3.14 0.00 0.00 58.73 61.55 1xee h TYR 48 Cb 0.61 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 1xee h TYR 48 CO 0.03 1.25 -0.11 1.25 -1.64 0.00 0.00 178.16 178.94 1xee h LEU 49 N 0.54 -0.27 -2.08 2.82 5.85 -0.40 -1.88 115.31 119.89 1xee h LEU 49 Ca -0.03 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1xee h LEU 49 Cb 1.34 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.45 1xee h LEU 49 CO 0.15 -0.18 0.00 0.11 -0.34 0.00 0.00 178.44 178.18 1xee h LYS 50 N -0.28 0.00 -0.00 1.25 1.57 -1.03 0.88 116.57 118.95 1xee h LYS 50 Ca -0.02 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1xee h LYS 50 Cb 0.23 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.55 1xee h LYS 50 CO 0.02 0.00 -0.50 0.87 -0.57 0.00 0.00 179.45 179.27 1xee h LYS 51 N 0.00 0.34 0.34 3.15 1.79 -0.61 -3.39 116.57 118.20 1xee h LYS 51 Ca 0.00 -0.36 -0.02 0.00 -2.18 0.00 0.00 60.65 58.09 1xee h LYS 51 Cb 0.23 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1xee h LYS 51 CO 0.00 1.05 -0.16 0.78 -1.08 0.00 0.00 179.45 180.04 1xee h GLY 52 N -0.22 -0.48 -5.38 3.86 0.00 -0.71 -3.46 103.07 96.68 1xee h GLY 52 Ca -0.06 0.18 -0.47 0.00 0.00 0.00 0.00 47.33 46.97 1xee h GLY 52 CO 0.10 -0.17 -0.80 -1.08 0.00 0.00 0.00 176.54 174.58 1xee s THR 53 N -5.28 1.01 -1.32 4.70 -1.32 0.24 -5.03 115.64 108.66 1xee s THR 53 Ca -0.15 -0.50 0.14 0.00 -1.21 0.00 0.00 61.69 59.97 1xee s THR 53 Cb 0.03 -0.88 0.21 0.00 -1.51 0.00 0.00 72.50 70.35 1xee s THR 53 CO 0.59 0.30 1.40 1.17 -2.21 0.00 0.00 174.62 175.87 1xee n LYS 54 N 3.14 0.15 -3.80 7.08 3.00 -1.26 -4.09 118.16 122.38 1xee n LYS 54 Ca -0.17 0.18 -0.35 0.00 -0.00 0.00 0.00 58.31 57.97 1xee n LYS 54 Cb 0.54 -1.50 -0.12 0.00 0.00 0.00 0.00 35.03 33.95 1xee n LYS 54 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1xee s ASN 55 N -2.68 5.11 -0.09 3.14 -0.87 -1.26 -4.72 114.94 113.56 1xee s ASN 55 Ca 0.12 -2.38 0.06 0.00 -1.57 0.00 0.00 52.86 49.08 1xee s ASN 55 Cb 0.09 -1.80 -0.09 0.00 -0.02 0.00 0.00 41.25 39.43 1xee s ASN 55 CO 0.22 -0.45 -0.01 -0.24 -2.57 0.00 0.00 177.10 174.06 1xee n SER 56 N 4.09 2.98 0.00 -1.22 2.88 -1.26 -2.89 113.62 118.20 1xee n SER 56 Ca 0.02 -0.02 0.10 0.00 -1.33 0.00 0.00 58.87 57.65 1xee n SER 56 Cb 0.40 0.44 0.61 0.00 -0.75 0.00 0.00 64.21 64.91 1xee n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xee n ALA 57 N -2.47 2.32 0.18 -1.46 0.00 -1.26 -3.32 120.51 114.50 1xee n ALA 57 Ca -0.15 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.24 1xee n ALA 57 Cb 0.76 -1.33 0.11 0.00 0.00 0.00 0.00 19.45 18.98 1xee n ALA 57 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1xee h GLN 58 N 0.00 0.00 -5.64 0.00 4.15 -1.91 -3.47 115.11 108.24 1xee h GLN 58 Ca 0.00 0.00 -0.65 0.00 0.77 0.00 0.00 58.65 58.77 1xee h GLN 58 Cb 0.00 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 27.55 1xee h GLN 58 CO 0.00 0.19 -0.58 -0.06 -1.93 0.00 0.00 178.83 176.46 1xee s PHE 59 N -3.11 3.27 -0.15 3.99 0.08 -1.21 -2.16 117.98 118.68 1xee s PHE 59 Ca 0.06 0.19 -0.22 0.00 0.12 0.00 0.00 56.93 57.07 1xee s PHE 59 Cb 0.06 -1.92 -0.24 0.00 -0.57 0.00 0.00 43.02 40.35 1xee s PHE 59 CO 0.70 0.39 0.51 1.49 -0.10 0.00 0.00 175.22 178.21 1xee h GLU 60 N 5.72 0.09 -3.14 0.44 4.57 -1.18 -3.43 114.58 117.65 1xee h GLU 60 Ca -0.46 -0.16 -0.05 0.00 -1.18 0.00 0.00 59.36 57.51 1xee h GLU 60 Cb 1.19 0.06 -0.14 0.00 -0.16 0.00 0.00 28.75 29.70 1xee h GLU 60 CO 0.61 1.08 -0.00 -1.59 -1.18 0.00 0.00 179.01 177.92 1xee s LYS 61 N -2.36 1.08 0.03 1.92 -2.85 -1.05 -1.91 119.74 114.59 1xee s LYS 61 Ca -0.22 -0.52 0.02 0.00 -1.00 0.00 0.00 55.97 54.25 1xee s LYS 61 Cb 0.03 0.48 -0.02 0.00 -2.06 0.00 0.00 37.83 36.26 1xee s LYS 61 CO 0.69 -0.42 -0.08 0.00 0.10 0.00 0.00 175.35 175.64 1xee s MET 62 N -3.32 0.54 -0.17 1.78 0.23 0.42 0.68 119.30 119.47 1xee s MET 62 Ca -0.00 -0.57 0.01 0.00 -1.03 0.00 0.00 55.69 54.10 1xee s MET 62 Cb 0.00 -0.40 0.01 0.00 -1.53 0.00 0.00 34.83 32.91 1xee s MET 62 CO -0.09 0.09 -0.20 0.08 -2.03 0.00 0.00 175.02 172.88 1xee s VAL 63 N -0.90 2.16 -0.30 5.16 1.01 0.11 -0.15 120.40 127.50 1xee s VAL 63 Ca -0.05 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 1xee s VAL 63 Cb -0.07 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1xee s VAL 63 CO 0.00 0.54 0.24 -0.63 0.00 0.00 0.00 175.10 175.25 1xee s ILE 64 N 1.09 5.28 -0.21 2.22 1.01 0.60 -1.01 121.20 130.17 1xee s ILE 64 Ca -0.00 0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.66 1xee s ILE 64 Cb -0.14 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1xee s ILE 64 CO -0.08 0.14 0.09 -0.76 0.00 0.00 0.00 174.94 174.33 1xee s LEU 65 N 1.80 3.82 0.00 2.97 2.01 -0.45 -1.90 118.68 126.92 1xee s LEU 65 Ca 0.08 0.04 0.00 0.00 0.01 0.00 0.00 54.13 54.26 1xee s LEU 65 Cb -0.16 -1.99 -0.00 0.00 0.01 0.00 0.00 46.19 44.05 1xee s LEU 65 CO 0.11 0.11 0.01 0.35 1.01 0.00 0.00 176.35 177.94 1xee n THR 66 N 3.96 0.00 -0.89 5.49 -2.24 -0.30 0.18 114.28 120.49 1xee n THR 66 Ca -0.16 -0.95 -0.30 0.00 -2.27 0.00 0.00 64.05 60.37 1xee n THR 66 Cb 0.52 0.22 0.25 0.00 -2.10 0.00 0.00 70.33 69.22 1xee n THR 66 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xee s GLU 67 N -2.71 -1.66 0.68 -0.78 2.02 -1.23 -3.91 118.70 111.11 1xee s GLU 67 Ca 0.02 0.01 0.00 0.00 0.02 0.00 0.00 54.97 55.01 1xee s GLU 67 Cb 0.00 -1.54 0.00 0.00 0.10 0.00 0.00 34.13 32.69 1xee s GLU 67 CO 0.01 -4.02 0.00 0.09 0.02 0.00 0.00 175.26 171.36 1xee n ASN 68 N -4.99 0.00 -0.79 -0.19 3.02 -0.86 -2.12 115.26 109.33 1xee n ASN 68 Ca 0.13 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.64 1xee n ASN 68 Cb 0.59 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.72 1xee n ASN 68 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1xee n LYS 69 N 0.00 0.00 -2.44 3.52 2.85 -1.26 -4.49 118.16 116.34 1xee n LYS 69 Ca 0.00 -0.58 -0.43 0.00 -1.05 0.00 0.00 58.31 56.25 1xee n LYS 69 Cb 0.00 0.49 -0.02 0.00 -0.65 0.00 0.00 35.03 34.85 1xee n LYS 69 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1xee s GLY 70 N -0.58 1.33 -0.30 2.58 0.00 -0.90 -4.94 107.32 104.51 1xee s GLY 70 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.70 1xee s GLY 70 CO 0.00 2.58 0.06 -0.47 0.00 0.00 0.00 173.10 175.27 1xee s TYR 71 N 4.55 2.21 -0.09 1.90 6.14 -1.26 -1.14 117.35 129.66 1xee s TYR 71 Ca 0.56 -1.96 0.03 0.00 0.64 0.00 0.00 57.07 56.34 1xee s TYR 71 Cb -0.15 -1.91 0.01 0.00 0.42 0.00 0.00 41.96 40.32 1xee s TYR 71 CO 0.25 -0.86 -0.19 0.71 0.64 0.00 0.00 175.55 176.10 1xee s TYR 72 N 1.45 2.10 -0.17 4.97 2.02 -0.80 -4.99 117.35 121.93 1xee s TYR 72 Ca 0.07 -0.84 -0.03 0.00 -0.37 0.00 0.00 57.07 55.90 1xee s TYR 72 Cb -0.18 -1.44 -0.02 0.00 -0.40 0.00 0.00 41.96 39.92 1xee s TYR 72 CO -0.18 -0.36 -0.06 0.99 -1.57 0.00 0.00 175.55 174.38 1xee s THR 73 N 0.48 3.60 -0.17 -0.71 2.01 -1.26 -0.30 115.64 119.29 1xee s THR 73 Ca -0.17 -0.45 -0.00 0.00 0.31 0.00 0.00 61.69 61.38 1xee s THR 73 Cb -0.17 -2.58 0.04 0.00 0.01 0.00 0.00 72.50 69.80 1xee s THR 73 CO 0.07 0.48 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.72 1xee s VAL 74 N 0.64 1.22 -0.57 3.82 1.01 0.79 -4.96 120.40 122.34 1xee s VAL 74 Ca -0.03 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.02 1xee s VAL 74 Cb -0.15 -1.38 0.06 0.00 0.00 0.00 0.00 36.38 34.91 1xee s VAL 74 CO 0.02 0.14 0.86 -0.31 0.00 0.00 0.00 175.10 175.81 1xee s TYR 75 N 1.58 2.83 0.40 5.22 2.02 -1.26 -0.43 117.35 127.71 1xee s TYR 75 Ca 0.00 -0.35 0.14 0.00 -0.37 0.00 0.00 57.07 56.50 1xee s TYR 75 Cb -0.15 -4.01 0.49 0.00 -0.40 0.00 0.00 41.96 37.89 1xee s TYR 75 CO -0.08 -1.36 0.81 1.28 -1.57 0.00 0.00 175.55 174.63 1xee n LEU 76 N 7.17 0.00 0.05 -1.29 4.77 -0.80 -0.71 117.00 126.18 1xee n LEU 76 Ca -0.02 0.46 0.11 0.00 -0.03 0.00 0.00 56.01 56.53 1xee n LEU 76 Cb 0.46 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1xee n LEU 76 CO 0.61 -0.46 -0.11 -0.46 -1.33 0.00 0.00 177.39 175.64 1xee n ASN 77 N -2.42 0.59 -4.76 -1.43 6.94 -1.25 -4.92 115.26 108.01 1xee n ASN 77 Ca 0.13 0.04 -0.31 0.00 -0.02 0.00 0.00 54.58 54.41 1xee n ASN 77 Cb 0.94 0.85 -0.07 0.00 -2.36 0.00 0.00 39.78 39.14 1xee n ASN 77 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1xee s THR 78 N -3.31 4.49 -0.04 5.53 -4.23 0.11 -5.12 115.64 113.07 1xee s THR 78 Ca 0.00 -0.70 -0.30 0.00 -1.18 0.00 0.00 61.69 59.51 1xee s THR 78 Cb 0.13 -3.12 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 1xee s THR 78 CO 0.81 0.19 1.15 -2.84 -0.54 0.00 0.00 174.62 173.40 1xee s PRO 79 N -2.17 4.39 -0.43 3.99 0.02 -1.26 -4.72 135.00 134.82 1xee s PRO 79 Ca 0.27 1.63 -0.43 0.00 0.02 0.00 0.00 61.00 62.49 1xee s PRO 79 Cb -0.12 -3.51 -0.17 0.00 0.02 0.00 0.00 34.50 30.71 1xee s PRO 79 CO 0.19 -0.36 1.87 -0.11 -0.33 0.00 0.00 177.00 178.26 1xee n LEU 80 N 4.84 1.50 -4.65 -5.54 0.00 -1.26 -4.91 117.00 106.98 1xee n LEU 80 Ca 0.10 0.91 -0.53 0.00 0.00 0.00 0.00 56.01 56.49 1xee n LEU 80 Cb 0.47 -1.00 -0.06 0.00 0.00 0.00 0.00 43.42 42.83 1xee n LEU 80 CO 0.54 -0.70 1.16 0.00 0.00 0.00 0.00 177.39 178.39 1xee n ALA 81 N 6.12 -0.23 -0.22 1.96 0.00 -1.26 -4.71 120.51 122.17 1xee n ALA 81 Ca 0.38 0.43 0.31 0.00 0.00 0.00 0.00 53.44 54.57 1xee n ALA 81 Cb 0.03 -2.21 0.73 0.00 0.00 0.00 0.00 19.45 18.00 1xee n ALA 81 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1xee h GLU 82 N 6.22 0.00 -0.30 0.00 4.11 -2.00 0.12 114.58 122.73 1xee h GLU 82 Ca -0.47 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.83 1xee h GLU 82 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1xee h GLU 82 CO 0.88 0.00 -0.35 0.22 0.07 0.00 0.00 179.01 179.83 1xee h ASP 83 N 0.00 0.70 0.94 3.06 3.58 -2.01 -2.85 116.42 119.84 1xee h ASP 83 Ca 0.47 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1xee h ASP 83 Cb 1.99 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.84 1xee h ASP 83 CO -0.00 0.99 -0.55 0.54 -2.88 0.00 0.00 179.24 177.34 1xee n ARG 84 N -4.06 0.29 -0.36 0.28 1.74 0.33 -3.50 116.66 111.39 1xee n ARG 84 Ca -0.01 0.10 -0.02 0.00 -0.77 0.00 0.00 57.85 57.15 1xee n ARG 84 Cb 0.50 -1.70 0.11 0.00 -1.02 0.00 0.00 32.46 30.34 1xee n ARG 84 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1xee h LYS 85 N 0.00 1.23 -0.73 5.56 1.57 -1.07 -1.07 116.57 122.06 1xee h LYS 85 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1xee h LYS 85 Cb 0.74 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1xee h LYS 85 CO 0.00 0.82 0.00 0.09 -0.57 0.00 0.00 179.45 179.79 1xee n ASN 86 N -4.44 3.23 -4.70 0.86 4.13 -1.23 -1.34 115.26 111.78 1xee n ASN 86 Ca 0.11 -2.41 -0.40 0.00 1.68 0.00 0.00 54.58 53.57 1xee n ASN 86 Cb 0.03 -0.55 -0.05 0.00 -1.54 0.00 0.00 39.78 37.68 1xee n ASN 86 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1xee s VAL 87 N -1.85 5.03 -0.13 2.41 1.01 -0.40 -4.88 120.40 121.58 1xee s VAL 87 Ca 0.28 1.37 -0.13 0.00 0.00 0.00 0.00 61.98 63.49 1xee s VAL 87 Cb 0.20 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1xee s VAL 87 CO 0.09 0.19 0.30 -1.61 0.00 0.00 0.00 175.10 174.07 1xee s GLU 88 N 1.24 4.13 0.09 2.72 2.02 -1.26 0.31 118.70 127.94 1xee s GLU 88 Ca 0.35 0.12 -0.31 0.00 0.02 0.00 0.00 54.97 55.15 1xee s GLU 88 Cb -0.17 -3.37 -0.06 0.00 0.10 0.00 0.00 34.13 30.63 1xee s GLU 88 CO 0.15 0.36 1.22 -0.51 0.02 0.00 0.00 175.26 176.49 1xee s LEU 89 N 0.10 4.39 0.00 1.80 1.43 -0.08 -4.91 118.68 121.41 1xee s LEU 89 Ca 0.18 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 1xee s LEU 89 Cb -0.13 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1xee s LEU 89 CO 0.05 -0.46 0.00 0.18 0.23 0.00 0.00 176.35 176.35 1xee n LEU 90 N 3.63 0.00 0.00 1.79 4.77 -1.26 -4.83 117.00 121.10 1xee n LEU 90 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1xee n LEU 90 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1xee n LEU 90 CO 0.56 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1xee n GLY 91 N 1.00 0.92 3.83 -0.72 0.00 -1.26 -4.01 105.19 104.95 1xee n GLY 91 Ca 0.00 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 1xee n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xee s LYS 92 N -1.42 4.09 -0.20 1.61 1.02 -1.26 -4.60 119.74 118.98 1xee s LYS 92 Ca 0.00 0.62 -0.32 0.00 0.02 0.00 0.00 55.97 56.30 1xee s LYS 92 Cb 0.00 -3.11 -0.09 0.00 -0.52 0.00 0.00 37.83 34.11 1xee s LYS 92 CO 0.00 0.58 2.12 -0.12 -0.92 0.00 0.00 175.35 177.00 1xee n MET 93 N 1.36 1.86 0.01 1.68 0.00 -1.26 -3.50 117.12 117.27 1xee n MET 93 Ca -0.09 0.58 -0.07 0.00 -0.00 0.00 0.00 57.70 58.12 1xee n MET 93 Cb 0.51 -2.88 -0.05 0.00 0.00 0.00 0.00 33.22 30.80 1xee n MET 93 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 1xee h TYR 94 N 12.65 -0.14 -2.68 1.12 3.20 -0.47 0.18 116.97 130.84 1xee h TYR 94 Ca -0.40 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.36 1xee h TYR 94 Cb 1.27 0.05 -0.22 0.00 1.54 0.00 0.00 36.73 39.36 1xee h TYR 94 CO 0.93 0.22 -0.17 0.15 -1.64 0.00 0.00 178.16 177.65 1xee s LYS 95 N -2.52 0.61 -0.21 1.82 -0.14 -1.15 -1.69 119.74 116.46 1xee s LYS 95 Ca -0.09 0.41 0.00 0.00 -1.36 0.00 0.00 55.97 54.93 1xee s LYS 95 Cb -0.00 0.29 0.02 0.00 -1.68 0.00 0.00 37.83 36.46 1xee s LYS 95 CO 0.31 -0.11 -0.14 0.99 -0.76 0.00 0.00 175.35 175.64 1xee s THR 96 N -0.25 2.41 -0.22 2.17 2.01 0.61 -1.35 115.64 121.03 1xee s THR 96 Ca -0.04 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.95 1xee s THR 96 Cb -0.03 -2.11 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 1xee s THR 96 CO 0.02 0.40 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.01 1xee s TYR 97 N 1.30 2.97 -0.19 4.92 2.02 -0.18 -0.10 117.35 128.09 1xee s TYR 97 Ca 0.03 -0.82 -0.08 0.00 -0.37 0.00 0.00 57.07 55.83 1xee s TYR 97 Cb -0.15 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.27 1xee s TYR 97 CO -0.09 -0.48 0.07 -0.06 -1.57 0.00 0.00 175.55 173.42 1xee s PHE 98 N 1.39 3.27 -0.15 2.71 0.40 0.12 0.08 117.98 125.80 1xee s PHE 98 Ca 0.05 0.09 -0.04 0.00 -0.60 0.00 0.00 56.93 56.42 1xee s PHE 98 Cb -0.14 -2.10 -0.03 0.00 0.51 0.00 0.00 43.02 41.25 1xee s PHE 98 CO -0.02 0.15 -0.00 -0.06 0.70 0.00 0.00 175.22 175.99 1xee s PHE 99 N 0.44 3.12 1.10 0.36 0.08 0.21 0.23 117.98 123.52 1xee s PHE 99 Ca 0.04 -0.09 -0.14 0.00 0.12 0.00 0.00 56.93 56.86 1xee s PHE 99 Cb -0.12 -1.96 0.24 0.00 -0.57 0.00 0.00 43.02 40.61 1xee s PHE 99 CO 0.00 0.12 1.07 0.15 -0.10 0.00 0.00 175.22 176.46 1xee s LYS 100 N 0.12 -0.38 -1.07 0.44 1.02 -1.26 -0.85 119.74 117.76 1xee s LYS 100 Ca 0.01 0.46 -0.17 0.00 0.02 0.00 0.00 55.97 56.29 1xee s LYS 100 Cb -0.13 -1.65 0.13 0.00 -0.52 0.00 0.00 37.83 35.66 1xee s LYS 100 CO 0.02 -3.27 1.32 0.21 -0.92 0.00 0.00 175.35 172.71 1xee s LYS 101 N -4.91 3.81 0.00 1.68 2.20 -0.92 -2.07 119.74 119.53 1xee s LYS 101 Ca 0.67 -2.02 0.00 0.00 -0.36 0.00 0.00 55.97 54.26 1xee s LYS 101 Cb -0.19 -5.06 0.00 0.00 -1.51 0.00 0.00 37.83 31.07 1xee s LYS 101 CO 0.59 -1.85 0.00 0.41 -0.36 0.00 0.00 175.35 174.14 1xee n GLY 102 N 5.11 0.83 3.50 5.54 0.00 -1.26 -4.98 105.19 113.94 1xee n GLY 102 Ca 0.31 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 1xee n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xee s GLU 103 N 0.00 3.14 0.00 1.61 0.41 -0.88 -4.98 118.70 118.00 1xee s GLU 103 Ca 0.00 -0.58 0.22 0.00 -0.41 0.00 0.00 54.97 54.20 1xee s GLU 103 Cb 0.00 -2.68 0.59 0.00 -1.78 0.00 0.00 34.13 30.26 1xee s GLU 103 CO 0.00 0.44 1.47 -1.13 -0.49 0.00 0.00 175.26 175.56 1xee n SER 104 N 2.89 2.44 -4.61 -0.19 3.41 -1.26 -4.18 113.62 112.12 1xee n SER 104 Ca -0.18 -1.84 -0.35 0.00 -0.26 0.00 0.00 58.87 56.24 1xee n SER 104 Cb 0.53 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.21 1xee n SER 104 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1xee s LYS 105 N -1.68 3.94 -0.24 4.33 2.20 -1.26 -5.05 119.74 121.98 1xee s LYS 105 Ca 0.35 -0.36 -0.28 0.00 -0.36 0.00 0.00 55.97 55.32 1xee s LYS 105 Cb 0.20 -3.25 -0.05 0.00 -1.51 0.00 0.00 37.83 33.22 1xee s LYS 105 CO 0.28 0.20 2.17 -1.12 -0.36 0.00 0.00 175.35 176.52 1xee s SER 106 N 0.58 5.47 -0.01 1.43 0.01 -1.26 -4.45 113.70 115.47 1xee s SER 106 Ca 0.04 1.78 0.22 0.00 1.31 0.00 0.00 55.95 59.29 1xee s SER 106 Cb -0.13 -2.51 -0.25 0.00 0.21 0.00 0.00 66.02 63.34 1xee s SER 106 CO 0.01 -1.97 0.71 -1.20 0.41 0.00 0.00 173.24 171.20 1xee n SER 107 N 11.69 0.47 -3.72 2.44 7.64 0.14 -4.86 113.62 127.41 1xee n SER 107 Ca 0.29 -0.42 -0.13 0.00 1.01 0.00 0.00 58.87 59.63 1xee n SER 107 Cb 0.46 1.46 -0.13 0.00 -1.01 0.00 0.00 64.21 64.99 1xee n SER 107 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1xee s TYR 108 N -3.28 -0.33 -0.08 1.43 6.14 -0.99 -5.00 117.35 115.23 1xee s TYR 108 Ca -0.00 0.80 0.04 0.00 0.64 0.00 0.00 57.07 58.55 1xee s TYR 108 Cb 0.15 0.03 -0.00 0.00 0.42 0.00 0.00 41.96 42.56 1xee s TYR 108 CO 0.88 -0.25 -0.22 0.54 0.64 0.00 0.00 175.55 177.14 1xee s VAL 109 N 1.40 1.90 -0.17 3.14 0.11 -1.26 0.15 120.40 125.67 1xee s VAL 109 Ca -0.08 -0.94 -0.04 0.00 -2.93 0.00 0.00 61.98 57.99 1xee s VAL 109 Cb -0.11 -1.64 -0.03 0.00 -1.53 0.00 0.00 36.38 33.08 1xee s VAL 109 CO -0.08 0.53 -0.02 -0.63 -3.33 0.00 0.00 175.10 171.56 1xee s ILE 110 N 0.27 3.96 -0.00 7.04 1.01 0.85 -4.95 121.20 129.38 1xee s ILE 110 Ca -0.15 -0.33 -0.26 0.00 0.00 0.00 0.00 60.65 59.92 1xee s ILE 110 Cb -0.17 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1xee s ILE 110 CO 0.07 0.48 0.79 0.54 0.00 0.00 0.00 174.94 176.82 1xee s ASN 111 N 0.51 7.17 0.49 3.58 4.22 -1.26 -0.28 114.94 129.37 1xee s ASN 111 Ca -0.02 1.41 0.02 0.00 -2.14 0.00 0.00 52.86 52.13 1xee s ASN 111 Cb -0.14 -2.47 0.02 0.00 1.28 0.00 0.00 41.25 39.94 1xee s ASN 111 CO 0.02 -0.10 0.18 0.61 -2.04 0.00 0.00 177.10 175.78 1xee n GLY 112 N 2.76 3.20 0.24 0.45 0.00 -0.68 -4.96 105.19 106.20 1xee n GLY 112 Ca 0.00 -2.33 0.11 0.00 0.00 0.00 0.00 46.02 43.81 1xee n GLY 112 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xee h PRO 113 N 0.00 0.00 -6.37 1.61 0.11 -1.73 -3.45 132.00 122.17 1xee h PRO 113 Ca -0.36 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.11 1xee h PRO 113 Cb 1.17 0.00 0.07 0.00 0.11 0.00 0.00 31.00 32.36 1xee h PRO 113 CO 0.58 0.18 0.42 0.41 -0.21 0.00 0.00 178.00 179.37 1xee n GLY 114 N -0.04 0.37 0.01 -0.55 0.00 0.61 -4.92 105.19 100.66 1xee n GLY 114 Ca -0.00 0.58 0.08 0.00 0.00 0.00 0.00 46.02 46.68 1xee n GLY 114 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xee n LYS 115 N 2.14 0.65 -3.82 1.61 0.00 -1.26 -4.40 118.16 113.07 1xee n LYS 115 Ca 0.15 -0.13 -0.12 0.00 -0.00 0.00 0.00 58.31 58.22 1xee n LYS 115 Cb 0.25 -1.36 -0.09 0.00 -0.00 0.00 0.00 35.03 33.83 1xee n LYS 115 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1xee s THR 116 N -3.03 0.08 -1.06 0.58 -1.32 -1.26 -4.99 115.64 104.63 1xee s THR 116 Ca -0.04 -0.63 0.12 0.00 -1.21 0.00 0.00 61.69 59.92 1xee s THR 116 Cb 0.10 -0.56 -0.00 0.00 -1.51 0.00 0.00 72.50 70.53 1xee s THR 116 CO 0.66 -0.34 0.69 -3.20 -2.21 0.00 0.00 174.62 170.21 1xee n ASN 117 N 1.28 1.33 -0.08 8.08 2.85 -1.26 -3.59 115.26 123.87 1xee n ASN 117 Ca -0.22 -1.17 -0.12 0.00 -0.11 0.00 0.00 54.58 52.97 1xee n ASN 117 Cb 0.56 0.46 -0.08 0.00 1.24 0.00 0.00 39.78 41.96 1xee n ASN 117 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1xee h GLU 118 N 1.30 0.00 0.00 1.20 3.07 -1.86 -3.38 114.58 114.91 1xee h GLU 118 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xee h GLU 118 Cb 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1xee h GLU 118 CO 0.00 0.60 0.00 0.66 -1.40 0.00 0.00 179.01 178.87 1xee n TYR 119 N -4.59 0.00 0.00 4.33 4.01 -1.26 -4.69 117.16 114.96 1xee n TYR 119 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1xee n TYR 119 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 1xee n TYR 119 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xee n ALA 120 N -3.00 0.00 0.25 -0.72 0.00 -1.26 -2.03 120.51 113.75 1xee n ALA 120 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1xee n ALA 120 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1xee n ALA 120 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98