#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 5.93 -4.49 1.20 7.64 -1.26 -5.03 113.62 117.62 1xee n SER 32 Ca 0.00 -3.73 -0.39 0.00 1.01 0.00 0.00 58.87 55.76 1xee n SER 32 Cb 0.00 -0.80 -0.11 0.00 -1.01 0.00 0.00 64.21 62.29 1xee n SER 32 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1xee s GLY 33 N -2.44 1.89 0.07 0.23 0.00 -1.26 -5.07 107.32 100.74 1xee s GLY 33 Ca 0.47 -1.32 -0.10 0.00 0.00 0.00 0.00 44.72 43.77 1xee s GLY 33 CO -0.21 0.69 0.19 1.04 0.00 0.00 0.00 173.10 174.81 1xee n LEU 34 N 5.02 -0.44 -3.93 0.66 4.77 -1.26 -4.85 117.00 116.97 1xee n LEU 34 Ca -0.14 0.40 -0.39 0.00 -0.03 0.00 0.00 56.01 55.85 1xee n LEU 34 Cb 0.50 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1xee n LEU 34 CO 0.34 -1.06 1.98 -2.65 -1.33 0.00 0.00 177.39 174.67 1xee n PRO 35 N 0.36 1.69 -3.37 3.23 -0.02 -1.26 -4.76 135.00 130.87 1xee n PRO 35 Ca 0.06 -2.12 -0.09 0.00 -2.02 0.00 0.00 63.50 59.33 1xee n PRO 35 Cb 0.09 -3.18 -0.08 0.00 -0.02 0.00 0.00 33.50 30.30 1xee n PRO 35 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1xee s THR 36 N 6.48 -0.60 0.39 3.45 -1.32 -1.26 -5.09 115.64 117.69 1xee s THR 36 Ca 0.60 -0.06 0.07 0.00 -1.21 0.00 0.00 61.69 61.09 1xee s THR 36 Cb 0.10 -0.80 0.00 0.00 -1.51 0.00 0.00 72.50 70.29 1xee s THR 36 CO 0.11 -0.11 0.54 0.42 -2.21 0.00 0.00 174.62 173.36 1xee s THR 37 N 2.55 3.42 0.27 5.08 -4.23 -1.26 -3.99 115.64 117.47 1xee s THR 37 Ca 0.12 -0.98 -0.02 0.00 -1.18 0.00 0.00 61.69 59.62 1xee s THR 37 Cb -0.15 -3.16 0.27 0.00 1.34 0.00 0.00 72.50 70.80 1xee s THR 37 CO -0.16 -0.06 1.88 0.25 -0.54 0.00 0.00 174.62 175.99 1xee h LEU 38 N 0.72 1.04 -1.56 4.79 5.85 -0.33 0.23 115.31 126.06 1xee h LEU 38 Ca -0.42 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1xee h LEU 38 Cb 1.27 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 1xee h LEU 38 CO 0.48 0.66 0.23 1.23 -0.34 0.00 0.00 178.44 180.70 1xee h GLY 39 N 1.18 0.57 1.18 3.75 0.00 -1.16 0.13 103.07 108.72 1xee h GLY 39 Ca 0.44 -0.23 -0.31 0.00 0.00 0.00 0.00 47.33 47.23 1xee h GLY 39 CO -0.18 0.22 -1.57 1.70 0.00 0.00 0.00 176.54 176.71 1xee h LYS 40 N 0.54 0.26 0.52 4.80 1.63 -1.48 -2.03 116.57 120.83 1xee h LYS 40 Ca 0.14 -0.45 -0.03 0.00 -0.85 0.00 0.00 60.65 59.46 1xee h LYS 40 Cb -0.01 0.17 0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1xee h LYS 40 CO -0.03 1.13 -0.25 1.25 -3.45 0.00 0.00 179.45 178.10 1xee h LEU 41 N 0.07 -0.60 -0.53 5.20 7.12 -0.32 -1.18 115.31 125.08 1xee h LEU 41 Ca -0.26 0.01 0.11 0.00 0.13 0.00 0.00 57.88 57.87 1xee h LEU 41 Cb 2.03 0.15 -0.09 0.00 -0.53 0.00 0.00 40.66 42.22 1xee h LEU 41 CO 0.16 -0.42 -0.03 -0.78 -0.13 0.00 0.00 178.44 177.25 1xee h ASP 42 N -0.72 -0.28 -0.42 1.25 3.58 -0.82 -1.79 116.42 117.22 1xee h ASP 42 Ca -0.07 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1xee h ASP 42 Cb 0.55 0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.83 1xee h ASP 42 CO 0.12 -0.10 0.28 -0.08 -2.88 0.00 0.00 179.24 176.57 1xee h GLU 43 N 0.09 0.56 0.00 0.28 4.81 -1.23 -1.22 114.58 117.86 1xee h GLU 43 Ca 0.27 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1xee h GLU 43 Cb 0.42 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1xee h GLU 43 CO -0.47 0.37 -0.12 -0.09 -0.73 0.00 0.00 179.01 177.98 1xee h ARG 44 N 0.57 0.00 0.15 1.92 2.43 -0.83 -0.77 114.38 117.85 1xee h ARG 44 Ca 0.15 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.02 1xee h ARG 44 Cb -0.06 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1xee h ARG 44 CO -0.03 0.12 -1.40 -0.07 -1.51 0.00 0.00 179.97 177.07 1xee h LEU 45 N 0.00 0.50 -0.05 3.80 3.38 -0.44 -1.05 115.31 121.46 1xee h LEU 45 Ca -0.00 -0.58 -0.23 0.00 0.09 0.00 0.00 57.88 57.16 1xee h LEU 45 Cb 0.26 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 40.87 1xee h LEU 45 CO 0.01 1.47 -0.86 0.03 0.09 0.00 0.00 178.44 179.18 1xee h ARG 46 N 0.09 0.67 -0.46 1.13 3.08 -0.64 0.68 114.38 118.92 1xee h ARG 46 Ca -0.20 -0.65 0.09 0.00 0.07 0.00 0.00 59.98 59.29 1xee h ARG 46 Cb 2.03 0.17 -0.09 0.00 0.08 0.00 0.00 29.97 32.15 1xee h ARG 46 CO 0.20 1.25 -0.19 -0.91 -1.07 0.00 0.00 179.97 179.26 1xee h ASN 47 N 0.33 -0.66 -0.53 7.04 2.35 -1.07 -1.03 115.58 122.00 1xee h ASN 47 Ca -0.09 0.16 0.05 0.00 -0.55 0.00 0.00 56.30 55.87 1xee h ASN 47 Cb 1.52 0.37 -0.05 0.00 0.05 0.00 0.00 38.32 40.21 1xee h ASN 47 CO 0.17 -0.22 0.26 0.22 -1.65 0.00 0.00 177.43 176.21 1xee h TYR 48 N -0.09 0.47 -0.73 1.19 3.20 -0.62 -3.01 116.97 117.38 1xee h TYR 48 Ca 0.22 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.16 1xee h TYR 48 Cb 0.43 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.52 1xee h TYR 48 CO -0.46 0.22 0.44 -0.07 -1.64 0.00 0.00 178.16 176.65 1xee h LEU 49 N 0.50 0.69 -1.79 2.82 3.38 -0.67 -2.50 115.31 117.74 1xee h LEU 49 Ca 0.24 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1xee h LEU 49 Cb 0.17 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xee h LEU 49 CO -0.18 0.46 -0.15 0.11 0.09 0.00 0.00 178.44 178.76 1xee h LYS 50 N 0.83 0.00 -0.08 1.13 6.56 -1.08 0.35 116.57 124.27 1xee h LYS 50 Ca 0.31 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.90 1xee h LYS 50 Cb 0.12 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.78 1xee h LYS 50 CO -0.15 0.15 0.00 0.36 -2.06 0.00 0.00 179.45 177.75 1xee n LYS 51 N -3.81 1.86 0.02 3.15 2.85 -1.05 -4.80 118.16 116.39 1xee n LYS 51 Ca -0.02 -1.26 -0.02 0.00 -1.05 0.00 0.00 58.31 55.96 1xee n LYS 51 Cb 0.25 -1.46 -0.01 0.00 -0.65 0.00 0.00 35.03 33.17 1xee n LYS 51 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1xee n GLY 52 N 1.22 -0.14 3.02 2.58 0.00 -0.07 -5.04 105.19 106.76 1xee n GLY 52 Ca 0.17 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1xee n GLY 52 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xee s THR 53 N -2.14 1.49 0.05 2.61 -1.32 0.10 -5.01 115.64 111.43 1xee s THR 53 Ca -0.06 -0.60 -0.33 0.00 -1.21 0.00 0.00 61.69 59.50 1xee s THR 53 Cb 0.01 -1.40 -0.18 0.00 -1.51 0.00 0.00 72.50 69.42 1xee s THR 53 CO 0.08 0.44 1.47 0.50 -2.21 0.00 0.00 174.62 174.91 1xee h LYS 54 N 7.90 -1.14 -4.33 7.08 3.64 -1.89 -3.34 116.57 124.49 1xee h LYS 54 Ca -0.36 0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.03 1xee h LYS 54 Cb 1.15 0.26 0.02 0.00 -0.41 0.00 0.00 32.23 33.24 1xee h LYS 54 CO 0.51 -0.76 0.52 -1.71 -2.27 0.00 0.00 179.45 175.73 1xee n ASN 55 N -5.24 -0.09 0.07 4.20 2.85 -1.26 -4.70 115.26 111.10 1xee n ASN 55 Ca -0.15 -1.11 -0.05 0.00 -0.11 0.00 0.00 54.58 53.16 1xee n ASN 55 Cb 0.47 -0.18 -0.09 0.00 1.24 0.00 0.00 39.78 41.22 1xee n ASN 55 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1xee h SER 56 N 6.77 0.00 0.00 1.20 0.02 -1.94 -3.14 113.55 116.45 1xee h SER 56 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1xee h SER 56 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1xee h SER 56 CO 0.60 0.87 0.00 0.00 -1.14 0.00 0.00 176.83 177.17 1xee n ALA 57 N -2.34 2.28 0.21 3.77 0.00 -1.26 -2.46 120.51 120.71 1xee n ALA 57 Ca -0.01 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.44 1xee n ALA 57 Cb 0.90 -1.19 0.33 0.00 0.00 0.00 0.00 19.45 19.48 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 -5.73 0.00 4.15 -1.95 -3.43 115.11 108.15 1xee h GLN 58 Ca 0.00 0.00 -0.66 0.00 0.77 0.00 0.00 58.65 58.76 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 0.24 -0.59 -0.06 -1.93 0.00 0.00 178.83 176.49 1xee s PHE 59 N -3.41 3.24 0.00 3.99 0.08 -1.03 -3.36 117.98 117.49 1xee s PHE 59 Ca 0.02 0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.26 1xee s PHE 59 Cb 0.09 -1.88 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 1xee s PHE 59 CO 0.66 0.41 0.00 -1.91 -0.10 0.00 0.00 175.22 174.28 1xee n GLU 60 N 2.49 0.00 -4.50 0.44 2.13 -0.50 -4.49 120.64 116.21 1xee n GLU 60 Ca -0.18 0.22 -0.24 0.00 0.66 0.00 0.00 57.16 57.62 1xee n GLU 60 Cb 0.53 -0.67 -0.11 0.00 0.27 0.00 0.00 31.44 31.47 1xee n GLU 60 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1xee s LYS 61 N -0.65 1.74 0.00 5.31 -2.85 -1.20 -0.78 119.74 121.30 1xee s LYS 61 Ca 0.00 -1.95 0.06 0.00 -1.00 0.00 0.00 55.97 53.09 1xee s LYS 61 Cb 0.00 -1.22 -0.02 0.00 -2.06 0.00 0.00 37.83 34.53 1xee s LYS 61 CO 0.00 -0.07 -0.20 0.00 0.10 0.00 0.00 175.35 175.18 1xee s MET 62 N -3.78 1.55 -0.26 1.78 0.23 0.13 -0.44 119.30 118.50 1xee s MET 62 Ca 0.34 -0.77 -0.02 0.00 -1.03 0.00 0.00 55.69 54.20 1xee s MET 62 Cb 0.08 -1.54 0.03 0.00 -1.53 0.00 0.00 34.83 31.86 1xee s MET 62 CO 0.16 0.41 -0.03 0.08 -2.03 0.00 0.00 175.02 173.61 1xee s VAL 63 N -0.56 3.06 -0.41 5.16 1.01 0.94 -0.62 120.40 128.97 1xee s VAL 63 Ca 0.08 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 1xee s VAL 63 Cb -0.08 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.73 1xee s VAL 63 CO -0.00 0.14 0.47 -0.63 0.00 0.00 0.00 175.10 175.08 1xee s ILE 64 N 1.34 5.04 -0.27 2.22 1.01 0.43 -1.03 121.20 129.95 1xee s ILE 64 Ca -0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.36 1xee s ILE 64 Cb -0.17 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 1xee s ILE 64 CO -0.03 -0.41 0.16 -0.76 0.00 0.00 0.00 174.94 173.90 1xee s LEU 65 N 2.26 3.94 0.52 2.97 1.43 -0.64 -2.16 118.68 127.00 1xee s LEU 65 Ca 0.14 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1xee s LEU 65 Cb -0.16 -2.08 -0.00 0.00 0.03 0.00 0.00 46.19 43.97 1xee s LEU 65 CO 0.14 -0.02 0.08 0.42 0.23 0.00 0.00 176.35 177.20 1xee s THR 66 N 1.59 1.26 0.31 5.49 -4.23 -0.69 -0.90 115.64 118.47 1xee s THR 66 Ca 0.07 -1.90 -0.05 0.00 -1.18 0.00 0.00 61.69 58.63 1xee s THR 66 Cb -0.15 -2.16 0.08 0.00 1.34 0.00 0.00 72.50 71.61 1xee s THR 66 CO 0.09 0.00 0.24 -0.62 -0.54 0.00 0.00 174.62 173.79 1xee n GLU 67 N -1.36 -1.92 0.00 3.99 1.02 -0.28 -4.29 120.64 117.80 1xee n GLU 67 Ca -0.16 -0.39 0.00 0.00 -0.02 0.00 0.00 57.16 56.59 1xee n GLU 67 Cb 0.66 -0.41 0.00 0.00 -0.02 0.00 0.00 31.44 31.67 1xee n GLU 67 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1xee n ASN 68 N -3.52 0.00 -2.34 1.62 2.85 0.45 -2.06 115.26 112.26 1xee n ASN 68 Ca 0.04 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.48 1xee n ASN 68 Cb 0.14 0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.25 1xee n ASN 68 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1xee n LYS 69 N 0.00 1.10 -2.65 1.20 -0.00 -1.26 -2.78 118.16 113.77 1xee n LYS 69 Ca 0.00 -1.20 -0.43 0.00 -0.00 0.00 0.00 58.31 56.68 1xee n LYS 69 Cb 0.00 0.41 -0.02 0.00 -0.00 0.00 0.00 35.03 35.42 1xee n LYS 69 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1xee s GLY 70 N -1.14 1.59 -0.30 2.58 0.00 -0.87 -4.99 107.32 104.19 1xee s GLY 70 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 44.72 44.78 1xee s GLY 70 CO -0.10 2.24 0.09 -0.47 0.00 0.00 0.00 173.10 174.85 1xee s TYR 71 N 3.52 1.81 -0.12 1.90 6.14 -1.26 -1.71 117.35 127.63 1xee s TYR 71 Ca 0.45 -1.76 0.02 0.00 0.64 0.00 0.00 57.07 56.42 1xee s TYR 71 Cb -0.13 -1.74 -0.01 0.00 0.42 0.00 0.00 41.96 40.50 1xee s TYR 71 CO 0.13 -0.86 -0.17 0.71 0.64 0.00 0.00 175.55 175.99 1xee s TYR 72 N 1.58 2.71 -0.15 4.97 2.02 -0.92 -5.01 117.35 122.55 1xee s TYR 72 Ca 0.09 -0.80 -0.01 0.00 -0.37 0.00 0.00 57.07 55.97 1xee s TYR 72 Cb -0.17 -1.79 -0.01 0.00 -0.40 0.00 0.00 41.96 39.58 1xee s TYR 72 CO -0.23 -0.29 -0.11 0.99 -1.57 0.00 0.00 175.55 174.34 1xee s THR 73 N 0.34 3.16 -0.10 -0.71 2.01 -1.26 -0.43 115.64 118.65 1xee s THR 73 Ca -0.14 -0.61 -0.01 0.00 0.31 0.00 0.00 61.69 61.24 1xee s THR 73 Cb -0.17 -2.35 0.03 0.00 0.01 0.00 0.00 72.50 70.02 1xee s THR 73 CO 0.07 0.50 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.78 1xee s VAL 74 N 0.62 0.70 -0.40 3.82 1.01 0.21 -4.95 120.40 121.40 1xee s VAL 74 Ca -0.06 -0.14 -0.25 0.00 0.00 0.00 0.00 61.98 61.53 1xee s VAL 74 Cb -0.15 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.42 1xee s VAL 74 CO 0.03 0.26 0.88 -0.31 0.00 0.00 0.00 175.10 175.96 1xee s TYR 75 N 1.84 3.04 0.65 5.22 2.02 -1.26 0.22 117.35 129.08 1xee s TYR 75 Ca 0.04 0.57 0.28 0.00 -0.37 0.00 0.00 57.07 57.59 1xee s TYR 75 Cb -0.13 -3.67 1.49 0.00 -0.40 0.00 0.00 41.96 39.25 1xee s TYR 75 CO -0.07 -0.89 1.85 -0.07 -1.57 0.00 0.00 175.55 174.81 1xee h LEU 76 N 10.13 0.00 0.00 -1.29 3.38 -1.26 -3.25 115.31 123.02 1xee h LEU 76 Ca -0.24 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.60 1xee h LEU 76 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1xee h LEU 76 CO 0.97 0.00 -1.00 -1.13 0.09 0.00 0.00 178.44 177.38 1xee h ASN 77 N 0.00 0.00 -3.67 -0.43 -0.00 -1.78 -3.44 115.58 106.26 1xee h ASN 77 Ca 0.03 0.00 -0.57 0.00 -0.00 0.00 0.00 56.30 55.76 1xee h ASN 77 Cb 0.84 0.00 -0.32 0.00 -0.00 0.00 0.00 38.32 38.84 1xee h ASN 77 CO -0.00 0.53 -0.84 0.42 -0.00 0.00 0.00 177.43 177.54 1xee s THR 78 N -2.95 1.48 0.35 -3.57 -4.23 -1.23 -5.10 115.64 100.39 1xee s THR 78 Ca 0.00 -0.72 -0.29 0.00 -1.18 0.00 0.00 61.69 59.51 1xee s THR 78 Cb 0.08 -1.29 -0.11 0.00 1.34 0.00 0.00 72.50 72.52 1xee s THR 78 CO 0.78 0.43 1.48 -2.16 -0.54 0.00 0.00 174.62 174.61 1xee s PRO 79 N 0.26 4.15 0.04 3.99 0.04 -1.26 -4.64 135.00 137.58 1xee s PRO 79 Ca -0.10 2.52 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 1xee s PRO 79 Cb -0.14 -3.00 -0.08 0.00 0.04 0.00 0.00 34.50 31.33 1xee s PRO 79 CO 0.04 -0.50 1.68 -1.17 0.04 0.00 0.00 177.00 177.09 1xee s LEU 80 N -1.74 4.36 0.79 -3.56 2.96 -1.26 -4.95 118.68 115.28 1xee s LEU 80 Ca 0.54 2.44 -0.14 0.00 -0.22 0.00 0.00 54.13 56.75 1xee s LEU 80 Cb -0.46 -3.55 0.07 0.00 0.50 0.00 0.00 46.19 42.75 1xee s LEU 80 CO 0.59 -0.91 1.18 0.00 -1.32 0.00 0.00 176.35 175.89 1xee n ALA 81 N 6.14 0.01 0.32 5.97 0.00 -1.26 -4.75 120.51 126.94 1xee n ALA 81 Ca 0.16 -0.30 0.14 0.00 0.00 0.00 0.00 53.44 53.45 1xee n ALA 81 Cb 0.41 -2.24 0.42 0.00 0.00 0.00 0.00 19.45 18.05 1xee n ALA 81 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xee h GLU 82 N -0.75 0.00 -0.79 0.00 5.08 -1.97 0.18 114.58 116.32 1xee h GLU 82 Ca -0.47 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 57.99 1xee h GLU 82 Cb 1.30 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.48 1xee h GLU 82 CO 0.46 0.00 0.44 0.22 -1.00 0.00 0.00 179.01 179.13 1xee h ASP 83 N 0.00 0.62 -0.00 1.42 1.82 -2.01 -2.96 116.42 115.31 1xee h ASP 83 Ca 0.00 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1xee h ASP 83 Cb 0.72 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.66 1xee h ASP 83 CO 0.00 0.35 -0.28 -2.11 -1.61 0.00 0.00 179.24 175.59 1xee n ARG 84 N -4.78 3.68 0.20 0.28 1.85 -0.49 -4.11 116.66 113.29 1xee n ARG 84 Ca 0.13 -0.20 0.06 0.00 -1.00 0.00 0.00 57.85 56.84 1xee n ARG 84 Cb 0.28 -0.91 0.38 0.00 -1.05 0.00 0.00 32.46 31.15 1xee n ARG 84 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 177.63 179.19 1xee h LYS 85 N 0.33 0.00 -0.63 2.89 2.10 -0.95 -2.69 116.57 117.62 1xee h LYS 85 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xee h LYS 85 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 1xee h LYS 85 CO 0.00 0.35 0.00 -1.71 -2.00 0.00 0.00 179.45 176.09 1xee n ASN 86 N -3.60 3.97 -4.61 7.07 5.15 -1.12 -0.85 115.26 121.27 1xee n ASN 86 Ca -0.01 -2.34 -0.39 0.00 -0.60 0.00 0.00 54.58 51.24 1xee n ASN 86 Cb 0.47 -0.52 -0.08 0.00 -0.53 0.00 0.00 39.78 39.12 1xee n ASN 86 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1xee s VAL 87 N -1.76 5.14 0.40 3.44 1.01 -1.01 -4.83 120.40 122.79 1xee s VAL 87 Ca 0.42 0.70 -0.13 0.00 0.00 0.00 0.00 61.98 62.97 1xee s VAL 87 Cb 0.27 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 1xee s VAL 87 CO 0.21 0.14 0.80 -1.83 0.00 0.00 0.00 175.10 174.41 1xee s GLU 88 N 2.11 3.86 -0.63 2.72 -1.05 -1.26 0.09 118.70 124.53 1xee s GLU 88 Ca 0.18 0.60 -0.24 0.00 -0.15 0.00 0.00 54.97 55.35 1xee s GLU 88 Cb -0.16 -2.36 0.05 0.00 -0.44 0.00 0.00 34.13 31.23 1xee s GLU 88 CO 0.09 -0.03 1.02 -0.51 0.95 0.00 0.00 175.26 176.78 1xee s LEU 89 N -3.69 4.05 0.32 1.83 1.43 -1.26 -4.83 118.68 116.53 1xee s LEU 89 Ca 0.53 -0.65 0.13 0.00 -1.03 0.00 0.00 54.13 53.12 1xee s LEU 89 Cb -0.10 -2.61 0.46 0.00 0.03 0.00 0.00 46.19 43.97 1xee s LEU 89 CO 0.28 -1.44 0.67 0.18 0.23 0.00 0.00 176.35 176.27 1xee n LEU 90 N 7.94 0.00 -3.83 1.79 4.32 -1.26 -4.84 117.00 121.11 1xee n LEU 90 Ca -0.00 0.39 -0.07 0.00 -0.02 0.00 0.00 56.01 56.31 1xee n LEU 90 Cb 0.47 -0.13 -0.00 0.00 -1.62 0.00 0.00 43.42 42.14 1xee n LEU 90 CO 0.65 -0.39 0.56 -0.83 -1.22 0.00 0.00 177.39 176.16 1xee s GLY 91 N -2.75 0.06 0.51 -0.72 0.00 -1.26 -4.67 107.32 98.50 1xee s GLY 91 Ca -0.01 -0.39 -0.21 0.00 0.00 0.00 0.00 44.72 44.11 1xee s GLY 91 CO 0.24 0.09 1.14 1.25 0.00 0.00 0.00 173.10 175.82 1xee s LYS 92 N -3.12 3.50 -0.28 2.90 2.20 -1.26 -4.54 119.74 119.14 1xee s LYS 92 Ca 0.14 1.68 -0.29 0.00 -0.36 0.00 0.00 55.97 57.13 1xee s LYS 92 Cb -0.05 -2.15 -0.01 0.00 -1.51 0.00 0.00 37.83 34.11 1xee s LYS 92 CO 0.08 -0.74 1.53 1.41 -0.36 0.00 0.00 175.35 177.26 1xee s MET 93 N -3.07 3.74 -0.10 4.03 -2.45 -1.26 -1.13 119.30 119.06 1xee s MET 93 Ca 0.69 1.43 -0.10 0.00 -1.25 0.00 0.00 55.69 56.46 1xee s MET 93 Cb -0.26 -4.01 -0.08 0.00 1.25 0.00 0.00 34.83 31.73 1xee s MET 93 CO 0.30 -1.35 0.28 -0.92 1.05 0.00 0.00 175.02 174.38 1xee h TYR 94 N 10.59 -0.04 -1.90 4.11 3.20 -1.19 0.14 116.97 131.88 1xee h TYR 94 Ca -0.31 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.54 1xee h TYR 94 Cb 1.13 0.01 -0.21 0.00 1.54 0.00 0.00 36.73 39.21 1xee h TYR 94 CO 0.92 0.26 0.25 0.21 -1.64 0.00 0.00 178.16 178.15 1xee s LYS 95 N -1.92 0.88 -0.17 1.82 2.20 -0.84 -1.06 119.74 120.64 1xee s LYS 95 Ca -0.06 0.49 0.01 0.00 -0.36 0.00 0.00 55.97 56.05 1xee s LYS 95 Cb -0.01 0.42 0.02 0.00 -1.51 0.00 0.00 37.83 36.75 1xee s LYS 95 CO 0.22 -0.22 -0.19 0.99 -0.36 0.00 0.00 175.35 175.79 1xee s THR 96 N -0.58 2.00 -0.23 3.43 2.01 -0.00 -1.62 115.64 120.65 1xee s THR 96 Ca -0.05 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.01 1xee s THR 96 Cb -0.02 -1.81 -0.00 0.00 0.01 0.00 0.00 72.50 70.68 1xee s THR 96 CO 0.05 0.53 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.16 1xee s TYR 97 N 1.25 2.98 -0.35 4.92 2.02 -0.20 -0.20 117.35 127.79 1xee s TYR 97 Ca 0.03 -1.03 -0.16 0.00 -0.37 0.00 0.00 57.07 55.55 1xee s TYR 97 Cb -0.13 -2.11 -0.01 0.00 -0.40 0.00 0.00 41.96 39.31 1xee s TYR 97 CO -0.11 -0.58 0.39 -0.06 -1.57 0.00 0.00 175.55 173.62 1xee s PHE 98 N 1.46 3.20 -0.21 2.71 0.08 0.14 -0.04 117.98 125.32 1xee s PHE 98 Ca 0.05 -0.01 -0.18 0.00 0.12 0.00 0.00 56.93 56.91 1xee s PHE 98 Cb -0.15 -2.72 -0.03 0.00 -0.57 0.00 0.00 43.02 39.55 1xee s PHE 98 CO -0.03 -0.46 0.49 -0.06 -0.10 0.00 0.00 175.22 175.06 1xee s PHE 99 N 2.08 3.35 0.49 0.36 0.08 0.41 -0.01 117.98 124.74 1xee s PHE 99 Ca 0.13 0.71 -0.20 0.00 0.12 0.00 0.00 56.93 57.68 1xee s PHE 99 Cb -0.16 -2.64 -0.08 0.00 -0.57 0.00 0.00 43.02 39.56 1xee s PHE 99 CO 0.12 -0.11 1.05 0.15 -0.10 0.00 0.00 175.22 176.33 1xee s LYS 100 N 1.68 3.76 -0.50 0.44 1.02 -1.23 -1.40 119.74 123.51 1xee s LYS 100 Ca 0.22 1.41 -0.26 0.00 0.02 0.00 0.00 55.97 57.36 1xee s LYS 100 Cb -0.15 -2.11 -0.06 0.00 -0.52 0.00 0.00 37.83 34.99 1xee s LYS 100 CO 0.09 -0.47 2.31 0.21 -0.92 0.00 0.00 175.35 176.57 1xee s LYS 101 N -3.19 2.22 0.00 1.68 2.36 -1.21 -1.01 119.74 120.58 1xee s LYS 101 Ca 0.68 1.31 0.00 0.00 -2.55 0.00 0.00 55.97 55.41 1xee s LYS 101 Cb -0.18 -4.54 0.00 0.00 -1.05 0.00 0.00 37.83 32.06 1xee s LYS 101 CO 0.21 -3.14 0.00 0.41 1.55 0.00 0.00 175.35 174.38 1xee n GLY 102 N 5.94 0.92 3.22 5.54 0.00 -1.26 -4.99 105.19 114.57 1xee n GLY 102 Ca 0.34 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.55 1.22 -0.30 1.61 0.41 -0.18 -5.01 118.70 115.91 1xee s GLU 103 Ca 0.00 -0.91 0.10 0.00 -0.41 0.00 0.00 54.97 53.75 1xee s GLU 103 Cb 0.00 -1.32 0.73 0.00 -1.78 0.00 0.00 34.13 31.76 1xee s GLU 103 CO 0.00 0.33 1.75 -1.13 -0.49 0.00 0.00 175.26 175.72 1xee n SER 104 N 1.77 4.86 -4.16 -0.19 3.41 -1.26 -4.28 113.62 113.77 1xee n SER 104 Ca -0.18 -3.11 -0.28 0.00 -0.26 0.00 0.00 58.87 55.04 1xee n SER 104 Cb 0.54 -0.73 -0.16 0.00 -0.26 0.00 0.00 64.21 63.59 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 -2.84 2.17 0.19 4.33 2.20 -1.26 -5.09 119.74 119.45 1xee s LYS 105 Ca 0.53 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 55.14 1xee s LYS 105 Cb 0.42 -1.80 -0.08 0.00 -1.51 0.00 0.00 37.83 34.85 1xee s LYS 105 CO 0.13 0.23 1.07 -1.12 -0.36 0.00 0.00 175.35 175.30 1xee s SER 106 N 0.13 7.34 -0.02 1.43 0.01 -1.26 -3.52 113.70 117.81 1xee s SER 106 Ca -0.08 2.07 0.16 0.00 1.31 0.00 0.00 55.95 59.41 1xee s SER 106 Cb -0.14 -2.61 -0.24 0.00 0.21 0.00 0.00 66.02 63.25 1xee s SER 106 CO 0.04 -0.15 0.40 -0.24 0.41 0.00 0.00 173.24 173.70 1xee n SER 107 N 2.12 1.25 -3.72 2.44 2.88 0.98 -4.96 113.62 114.61 1xee n SER 107 Ca 0.01 -0.13 -0.14 0.00 -1.33 0.00 0.00 58.87 57.28 1xee n SER 107 Cb 0.46 1.62 -0.14 0.00 -0.75 0.00 0.00 64.21 65.40 1xee n SER 107 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1xee s TYR 108 N -3.01 -0.21 -0.03 0.66 6.14 -1.22 -5.03 117.35 114.64 1xee s TYR 108 Ca -0.04 0.60 0.07 0.00 0.64 0.00 0.00 57.07 58.34 1xee s TYR 108 Cb 0.10 -0.11 -0.02 0.00 0.42 0.00 0.00 41.96 42.36 1xee s TYR 108 CO 0.66 -0.22 -0.25 0.54 0.64 0.00 0.00 175.55 176.92 1xee s VAL 109 N 1.57 2.00 0.15 3.14 0.11 -1.26 -0.68 120.40 125.43 1xee s VAL 109 Ca -0.05 -1.07 0.01 0.00 -2.93 0.00 0.00 61.98 57.94 1xee s VAL 109 Cb -0.12 -1.66 -0.04 0.00 -1.53 0.00 0.00 36.38 33.03 1xee s VAL 109 CO -0.07 0.56 0.31 -0.63 -3.33 0.00 0.00 175.10 171.95 1xee s ILE 110 N -0.47 5.29 -0.20 7.04 1.01 0.73 -4.96 121.20 129.65 1xee s ILE 110 Ca 0.06 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1xee s ILE 110 Cb -0.11 -3.72 0.03 0.00 0.01 0.00 0.00 42.46 38.67 1xee s ILE 110 CO 0.00 -0.08 -0.16 0.21 0.00 0.00 0.00 174.94 174.91 1xee s ASN 111 N -3.10 3.47 0.53 3.58 2.47 -1.26 -0.82 114.94 119.80 1xee s ASN 111 Ca 0.36 -0.87 0.07 0.00 0.42 0.00 0.00 52.86 52.85 1xee s ASN 111 Cb -0.11 -1.43 0.04 0.00 -1.45 0.00 0.00 41.25 38.30 1xee s ASN 111 CO 0.28 -0.08 0.54 -0.83 -3.72 0.00 0.00 177.10 173.30 1xee s GLY 112 N 1.28 2.09 0.41 1.21 0.00 -0.23 -4.98 107.32 107.11 1xee s GLY 112 Ca 0.00 -1.69 0.20 0.00 0.00 0.00 0.00 44.72 43.23 1xee s GLY 112 CO -0.10 -1.80 1.84 -2.55 0.00 0.00 0.00 173.10 170.50 1xee h PRO 113 N 0.59 0.00 -6.93 2.90 0.11 -1.75 -3.44 132.00 123.48 1xee h PRO 113 Ca -0.35 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.22 1xee h PRO 113 Cb 1.29 0.00 0.11 0.00 0.11 0.00 0.00 31.00 32.51 1xee h PRO 113 CO 0.51 0.30 0.80 0.20 -0.21 0.00 0.00 178.00 179.61 1xee s GLY 114 N -4.30 2.82 -0.00 -0.55 0.00 0.46 -4.93 107.32 100.82 1xee s GLY 114 Ca -0.01 1.59 0.03 0.00 0.00 0.00 0.00 44.72 46.33 1xee s GLY 114 CO 0.67 2.32 0.09 0.28 0.00 0.00 0.00 173.10 176.46 1xee n LYS 115 N 0.69 3.61 -4.39 2.90 5.02 -1.26 -4.23 118.16 120.49 1xee n LYS 115 Ca 0.02 -0.01 -0.35 0.00 -2.02 0.00 0.00 58.31 55.95 1xee n LYS 115 Cb 0.39 -0.81 -0.10 0.00 -0.02 0.00 0.00 35.03 34.49 1xee n LYS 115 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1xee s THR 116 N -1.64 4.24 -0.55 -0.18 2.01 -1.26 -5.01 115.64 113.25 1xee s THR 116 Ca 0.00 -0.27 0.23 0.00 0.31 0.00 0.00 61.69 61.96 1xee s THR 116 Cb 0.02 -2.78 -0.13 0.00 0.01 0.00 0.00 72.50 69.62 1xee s THR 116 CO 0.11 0.60 0.98 -3.20 -0.69 0.00 0.00 174.62 172.42 1xee n ASN 117 N 2.26 0.59 0.00 3.53 4.05 -1.26 -2.74 115.26 121.69 1xee n ASN 117 Ca -0.18 -0.18 0.00 0.00 0.45 0.00 0.00 54.58 54.67 1xee n ASN 117 Cb 0.53 0.88 0.00 0.00 1.23 0.00 0.00 39.78 42.42 1xee n ASN 117 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1xee n GLU 118 N -2.02 3.87 -1.62 1.20 1.02 -1.26 -4.55 120.64 117.28 1xee n GLU 118 Ca 0.01 0.00 -0.49 0.00 -0.02 0.00 0.00 57.16 56.67 1xee n GLU 118 Cb 0.45 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.83 1xee n GLU 118 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 1xee n TYR 119 N 0.00 1.78 -0.02 -0.32 4.11 -1.12 -0.41 117.16 121.18 1xee n TYR 119 Ca 0.00 0.51 0.00 0.00 -0.00 0.00 0.00 57.90 58.41 1xee n TYR 119 Cb 0.00 -2.40 0.00 0.00 -0.00 0.00 0.00 39.34 36.94 1xee n TYR 119 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1xee n ALA 120 N 2.54 2.24 -0.76 -3.48 0.00 -1.26 -4.78 120.51 115.01 1xee n ALA 120 Ca 0.17 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1xee n ALA 120 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1xee n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48