#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 -7.36 -3.44 6.41 2.88 -1.26 -4.84 113.62 106.01 1xee n SER 32 Ca 0.00 0.73 -0.40 0.00 -1.33 0.00 0.00 58.87 57.88 1xee n SER 32 Cb 0.00 -4.10 -0.01 0.00 -0.75 0.00 0.00 64.21 59.35 1xee n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xee n GLY 33 N 0.38 4.87 3.26 0.46 0.00 -1.26 -4.87 105.19 108.02 1xee n GLY 33 Ca 0.02 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 1xee n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xee s LEU 34 N -1.21 2.05 -1.23 0.99 1.43 -1.26 -5.05 118.68 114.38 1xee s LEU 34 Ca 0.59 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 53.04 1xee s LEU 34 Cb 0.18 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 45.08 1xee s LEU 34 CO -0.08 0.25 2.05 -2.65 0.23 0.00 0.00 176.35 176.15 1xee n PRO 35 N 2.84 2.46 -3.61 1.29 -0.02 -1.26 -4.85 135.00 131.85 1xee n PRO 35 Ca -0.17 -2.50 -0.40 0.00 -2.02 0.00 0.00 63.50 58.41 1xee n PRO 35 Cb 0.52 -3.26 -0.08 0.00 -0.02 0.00 0.00 33.50 30.66 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 4.42 4.10 0.53 3.45 -1.32 -1.26 -4.96 115.64 120.61 1xee s THR 36 Ca 0.52 -2.33 0.09 0.00 -1.21 0.00 0.00 61.69 58.76 1xee s THR 36 Cb 0.11 -3.68 0.07 0.00 -1.51 0.00 0.00 72.50 67.49 1xee s THR 36 CO 0.01 -0.83 0.74 0.42 -2.21 0.00 0.00 174.62 172.74 1xee s THR 37 N 0.67 2.41 0.10 5.08 -4.23 -1.26 -4.57 115.64 113.84 1xee s THR 37 Ca 0.12 -0.97 -0.28 0.00 -1.18 0.00 0.00 61.69 59.38 1xee s THR 37 Cb -0.21 -2.43 -0.10 0.00 1.34 0.00 0.00 72.50 71.09 1xee s THR 37 CO -0.03 0.00 1.64 0.25 -0.54 0.00 0.00 174.62 175.94 1xee h LEU 38 N 0.28 -0.70 -2.33 4.79 7.12 -0.71 -1.72 115.31 122.06 1xee h LEU 38 Ca -0.33 0.07 -0.00 0.00 0.13 0.00 0.00 57.88 57.75 1xee h LEU 38 Cb 1.29 0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 41.67 1xee h LEU 38 CO 0.42 -0.35 -0.00 1.23 -0.13 0.00 0.00 178.44 179.60 1xee h GLY 39 N -0.50 0.00 0.73 3.75 0.00 -1.43 0.38 103.07 105.99 1xee h GLY 39 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1xee h GLY 39 CO -0.10 0.00 -0.27 0.50 0.00 0.00 0.00 176.54 176.67 1xee h LYS 40 N 0.00 -0.74 -0.49 4.80 1.79 -1.55 -3.23 116.57 117.15 1xee h LYS 40 Ca -0.00 0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.56 1xee h LYS 40 Cb 0.22 0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 31.00 1xee h LYS 40 CO 0.00 -0.43 0.24 -0.07 -1.08 0.00 0.00 179.45 178.12 1xee h LEU 41 N -1.05 0.35 -0.07 2.94 3.38 -0.45 -2.59 115.31 117.81 1xee h LEU 41 Ca -0.08 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1xee h LEU 41 Cb 0.65 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1xee h LEU 41 CO 0.13 0.24 -0.10 -0.78 0.09 0.00 0.00 178.44 178.02 1xee h ASP 42 N 0.48 -0.34 -0.81 -0.43 3.58 -0.46 0.41 116.42 118.85 1xee h ASP 42 Ca 0.22 0.04 0.16 0.00 0.42 0.00 0.00 57.03 57.87 1xee h ASP 42 Cb 0.13 0.14 -0.15 0.00 1.72 0.00 0.00 39.33 41.17 1xee h ASP 42 CO -0.16 -0.07 -0.22 1.21 -2.88 0.00 0.00 179.24 177.12 1xee n GLU 43 N -3.18 -0.09 -0.10 0.28 2.13 -1.22 -0.72 120.64 117.74 1xee n GLU 43 Ca -0.01 1.27 -0.12 0.00 0.66 0.00 0.00 57.16 58.97 1xee n GLU 43 Cb 0.06 -1.89 -0.04 0.00 0.27 0.00 0.00 31.44 29.84 1xee n GLU 43 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xee h ARG 44 N 0.00 0.59 0.31 5.31 3.08 -0.53 -0.60 114.38 122.54 1xee h ARG 44 Ca 0.37 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1xee h ARG 44 Cb 0.58 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1xee h ARG 44 CO -0.83 0.79 -0.15 -0.07 -1.07 0.00 0.00 179.97 178.63 1xee h LEU 45 N 0.36 -0.35 -0.03 3.04 3.38 0.05 0.20 115.31 121.96 1xee h LEU 45 Ca 0.08 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1xee h LEU 45 Cb 0.57 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1xee h LEU 45 CO 0.03 -0.21 -0.19 0.03 0.09 0.00 0.00 178.44 178.20 1xee h ARG 46 N -0.48 -0.28 -0.99 1.13 3.08 -0.75 -1.97 114.38 114.13 1xee h ARG 46 Ca -0.04 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.07 1xee h ARG 46 Cb 0.36 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.41 1xee h ARG 46 CO 0.07 -0.19 0.64 -0.91 -1.07 0.00 0.00 179.97 178.52 1xee h ASN 47 N -0.29 1.06 -0.63 7.04 2.35 -1.08 -2.84 115.58 121.20 1xee h ASN 47 Ca 0.07 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1xee h ASN 47 Cb 0.38 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 1xee h ASN 47 CO -0.20 0.71 0.42 0.22 -1.65 0.00 0.00 177.43 176.94 1xee h TYR 48 N 1.23 0.79 -0.33 1.19 3.20 -0.16 -2.21 116.97 120.68 1xee h TYR 48 Ca 0.40 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.36 1xee h TYR 48 Cb 0.05 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 37.99 1xee h TYR 48 CO -0.00 0.50 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.87 1xee h LEU 49 N 0.86 -0.29 -1.47 2.82 3.38 -1.11 -0.89 115.31 118.60 1xee h LEU 49 Ca 0.23 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 1xee h LEU 49 Cb -0.10 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1xee h LEU 49 CO -0.05 -0.10 0.06 0.11 0.09 0.00 0.00 178.44 178.54 1xee h LYS 50 N 0.01 0.41 -0.48 1.13 6.56 -1.45 0.35 116.57 123.09 1xee h LYS 50 Ca 0.16 -0.06 -0.07 0.00 -1.06 0.00 0.00 60.65 59.62 1xee h LYS 50 Cb 0.24 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.81 1xee h LYS 50 CO -0.34 0.39 -0.00 0.87 -2.06 0.00 0.00 179.45 178.31 1xee h LYS 51 N 0.40 0.80 0.00 3.15 1.79 -0.97 -3.41 116.57 118.34 1xee h LYS 51 Ca 0.10 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1xee h LYS 51 Cb 0.18 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1xee h LYS 51 CO -0.00 0.81 -0.25 0.41 -1.08 0.00 0.00 179.45 179.34 1xee n GLY 52 N -0.63 -0.67 3.05 3.86 0.00 -0.40 -5.01 105.19 105.39 1xee n GLY 52 Ca 0.02 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.58 1.14 -2.00 2.61 -1.32 0.11 -5.03 115.64 109.58 1xee s THR 53 Ca -0.07 -0.53 0.12 0.00 -1.21 0.00 0.00 61.69 60.00 1xee s THR 53 Cb 0.01 -1.01 0.34 0.00 -1.51 0.00 0.00 72.50 70.33 1xee s THR 53 CO 0.11 0.35 1.14 0.29 -2.21 0.00 0.00 174.62 174.30 1xee n LYS 54 N 3.45 0.50 -0.20 7.08 5.02 -1.26 -3.03 118.16 129.71 1xee n LYS 54 Ca -0.20 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1xee n LYS 54 Cb 0.53 -1.37 0.27 0.00 -0.02 0.00 0.00 35.03 34.43 1xee n LYS 54 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xee n ASN 55 N -0.87 2.83 -0.33 4.39 5.03 -1.26 -4.55 115.26 120.49 1xee n ASN 55 Ca 0.09 -1.93 0.16 0.00 0.87 0.00 0.00 54.58 53.77 1xee n ASN 55 Cb 0.04 -0.26 0.31 0.00 -1.02 0.00 0.00 39.78 38.85 1xee n ASN 55 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1xee n SER 56 N 1.06 -0.07 0.30 6.41 2.88 -1.17 -0.83 113.62 122.20 1xee n SER 56 Ca 0.18 1.65 0.20 0.00 -1.33 0.00 0.00 58.87 59.57 1xee n SER 56 Cb 0.48 -0.62 1.02 0.00 -0.75 0.00 0.00 64.21 64.35 1xee n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xee h ALA 57 N 1.95 1.00 -0.89 -1.46 0.00 -1.89 -2.65 119.26 115.32 1xee h ALA 57 Ca 0.61 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 55.03 1xee h ALA 57 Cb 1.31 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.83 1xee h ALA 57 CO -0.90 0.00 0.53 0.94 0.00 0.00 0.00 179.25 179.82 1xee n GLN 58 N -2.93 2.31 -5.19 0.00 -0.06 -0.01 -4.90 117.38 106.60 1xee n GLN 58 Ca -0.02 -3.14 -0.32 0.00 -2.00 0.00 0.00 57.00 51.52 1xee n GLN 58 Cb 0.11 -2.15 -0.17 0.00 -4.06 0.00 0.00 30.24 23.97 1xee n GLN 58 CO 0.00 0.00 0.00 -0.06 -0.20 0.00 0.00 177.06 176.80 1xee s PHE 59 N -3.41 2.56 -0.07 3.69 0.08 -1.00 -4.13 117.98 115.70 1xee s PHE 59 Ca 0.56 -0.99 0.13 0.00 0.12 0.00 0.00 56.93 56.75 1xee s PHE 59 Cb 0.47 -1.71 -0.23 0.00 -0.57 0.00 0.00 43.02 40.98 1xee s PHE 59 CO 0.06 -0.38 0.57 -1.91 -0.10 0.00 0.00 175.22 173.47 1xee n GLU 60 N 3.46 0.64 -3.53 0.44 2.13 -0.79 -4.07 120.64 118.92 1xee n GLU 60 Ca -0.19 0.26 -0.09 0.00 0.66 0.00 0.00 57.16 57.80 1xee n GLU 60 Cb 0.53 -1.76 -0.02 0.00 0.27 0.00 0.00 31.44 30.46 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 -2.58 1.16 0.04 5.31 -2.85 -1.13 -0.48 119.74 119.21 1xee s LYS 61 Ca -0.06 -0.48 0.00 0.00 -1.00 0.00 0.00 55.97 54.43 1xee s LYS 61 Cb 0.08 0.50 -0.03 0.00 -2.06 0.00 0.00 37.83 36.31 1xee s LYS 61 CO 0.82 -0.51 -0.04 0.00 0.10 0.00 0.00 175.35 175.72 1xee s MET 62 N -3.50 0.51 -0.09 1.78 0.23 0.11 0.17 119.30 118.51 1xee s MET 62 Ca 0.05 -0.96 0.02 0.00 -1.03 0.00 0.00 55.69 53.76 1xee s MET 62 Cb -0.02 0.07 0.02 0.00 -1.53 0.00 0.00 34.83 33.38 1xee s MET 62 CO -0.08 -0.06 -0.12 0.08 -2.03 0.00 0.00 175.02 172.81 1xee s VAL 63 N -2.70 1.24 -0.37 5.16 1.01 0.16 -0.40 120.40 124.49 1xee s VAL 63 Ca -0.03 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 1xee s VAL 63 Cb -0.01 -1.15 0.03 0.00 0.00 0.00 0.00 36.38 35.25 1xee s VAL 63 CO -0.05 0.39 0.19 -0.63 0.00 0.00 0.00 175.10 175.00 1xee s ILE 64 N 0.98 4.45 -0.30 2.22 1.01 0.84 -0.78 121.20 129.61 1xee s ILE 64 Ca -0.08 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.55 1xee s ILE 64 Cb -0.15 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1xee s ILE 64 CO -0.00 -0.23 0.20 -0.76 0.00 0.00 0.00 174.94 174.14 1xee s LEU 65 N 1.53 4.17 0.47 2.97 2.01 0.42 -1.65 118.68 128.60 1xee s LEU 65 Ca 0.01 -0.23 0.02 0.00 0.01 0.00 0.00 54.13 53.95 1xee s LEU 65 Cb -0.19 -2.10 -0.03 0.00 0.01 0.00 0.00 46.19 43.88 1xee s LEU 65 CO 0.06 -0.13 0.03 0.42 1.01 0.00 0.00 176.35 177.74 1xee s THR 66 N 1.72 1.15 1.11 5.49 -4.23 0.30 -0.50 115.64 120.68 1xee s THR 66 Ca 0.06 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.45 1xee s THR 66 Cb -0.17 -2.32 0.25 0.00 1.34 0.00 0.00 72.50 71.60 1xee s THR 66 CO 0.10 0.00 1.02 -0.62 -0.54 0.00 0.00 174.62 174.58 1xee n GLU 67 N -1.14 -1.96 0.00 3.99 1.02 -1.15 -4.19 120.64 117.21 1xee n GLU 67 Ca -0.14 -0.53 0.00 0.00 -0.02 0.00 0.00 57.16 56.47 1xee n GLU 67 Cb 0.67 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 1xee n GLU 67 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1xee n ASN 68 N -4.69 0.00 -1.04 1.62 0.23 -0.60 -1.89 115.26 108.88 1xee n ASN 68 Ca 0.05 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.07 1xee n ASN 68 Cb 0.54 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.20 1xee n ASN 68 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1xee n LYS 69 N 0.00 0.00 -2.91 -3.83 4.81 -1.26 -4.78 118.16 110.18 1xee n LYS 69 Ca 0.00 -1.13 -0.43 0.00 -0.87 0.00 0.00 58.31 55.88 1xee n LYS 69 Cb 0.00 0.29 -0.04 0.00 0.02 0.00 0.00 35.03 35.30 1xee n LYS 69 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1xee s GLY 70 N -1.13 1.46 -0.32 3.14 0.00 -0.79 -4.97 107.32 104.70 1xee s GLY 70 Ca 0.08 -1.93 0.02 0.00 0.00 0.00 0.00 44.72 42.88 1xee s GLY 70 CO -0.04 1.96 0.07 -0.47 0.00 0.00 0.00 173.10 174.62 1xee s TYR 71 N 3.76 2.82 -0.15 1.90 6.14 -1.26 -0.54 117.35 130.03 1xee s TYR 71 Ca 0.20 -2.41 -0.00 0.00 0.64 0.00 0.00 57.07 55.49 1xee s TYR 71 Cb -0.18 -2.36 -0.00 0.00 0.42 0.00 0.00 41.96 39.83 1xee s TYR 71 CO 0.09 -0.91 -0.14 0.71 0.64 0.00 0.00 175.55 175.94 1xee s TYR 72 N 1.23 2.80 -0.30 4.97 2.02 -0.66 -4.98 117.35 122.43 1xee s TYR 72 Ca 0.10 -0.96 -0.07 0.00 -0.37 0.00 0.00 57.07 55.77 1xee s TYR 72 Cb -0.18 -1.90 0.01 0.00 -0.40 0.00 0.00 41.96 39.49 1xee s TYR 72 CO -0.16 -0.43 0.09 -0.08 -1.57 0.00 0.00 175.55 173.41 1xee s THR 73 N 0.78 4.04 -0.06 -0.71 -1.32 -1.26 -0.11 115.64 116.99 1xee s THR 73 Ca -0.05 -0.70 0.05 0.00 -1.21 0.00 0.00 61.69 59.77 1xee s THR 73 Cb -0.15 -3.10 -0.00 0.00 -1.51 0.00 0.00 72.50 67.73 1xee s THR 73 CO 0.01 0.05 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.56 1xee s VAL 74 N 1.51 1.81 -0.36 5.08 1.01 0.46 -5.01 120.40 124.89 1xee s VAL 74 Ca 0.02 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 1xee s VAL 74 Cb -0.17 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.65 1xee s VAL 74 CO 0.03 0.51 0.54 -0.31 0.00 0.00 0.00 175.10 175.87 1xee s TYR 75 N 0.08 3.16 0.49 5.22 2.02 -1.26 0.04 117.35 127.10 1xee s TYR 75 Ca -0.08 0.17 0.21 0.00 -0.37 0.00 0.00 57.07 56.99 1xee s TYR 75 Cb -0.14 -3.00 1.25 0.00 -0.40 0.00 0.00 41.96 39.67 1xee s TYR 75 CO 0.05 -0.59 1.98 -0.07 -1.57 0.00 0.00 175.55 175.35 1xee h LEU 76 N 9.19 0.16 -0.27 -1.29 3.38 -1.06 -3.32 115.31 122.09 1xee h LEU 76 Ca -0.27 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1xee h LEU 76 Cb 1.12 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1xee h LEU 76 CO 0.79 0.09 0.00 -1.13 0.09 0.00 0.00 178.44 178.28 1xee h ASN 77 N 0.17 0.00 -4.90 -0.43 -1.24 -1.48 -3.43 115.58 104.26 1xee h ASN 77 Ca 0.27 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 57.08 1xee h ASN 77 Cb 0.85 0.00 -0.21 0.00 0.73 0.00 0.00 38.32 39.69 1xee h ASN 77 CO -0.04 0.00 -0.71 0.42 -1.29 0.00 0.00 177.43 175.81 1xee s THR 78 N -3.22 0.28 0.47 -3.57 -4.23 -1.25 -5.13 115.64 99.00 1xee s THR 78 Ca 0.08 -1.04 -0.23 0.00 -1.18 0.00 0.00 61.69 59.32 1xee s THR 78 Cb 0.10 -0.48 -0.07 0.00 1.34 0.00 0.00 72.50 73.39 1xee s THR 78 CO 0.56 -0.49 1.27 -2.16 -0.54 0.00 0.00 174.62 173.27 1xee s PRO 79 N -1.67 3.62 0.18 3.99 0.04 -1.26 -4.74 135.00 135.15 1xee s PRO 79 Ca -0.12 2.04 -0.31 0.00 0.04 0.00 0.00 61.00 62.65 1xee s PRO 79 Cb -0.09 -2.46 -0.09 0.00 0.04 0.00 0.00 34.50 31.90 1xee s PRO 79 CO -0.01 -0.74 1.41 -1.17 0.04 0.00 0.00 177.00 176.53 1xee s LEU 80 N -3.01 4.39 0.34 -3.56 2.96 -1.26 -4.98 118.68 113.55 1xee s LEU 80 Ca 0.64 2.48 -0.27 0.00 -0.22 0.00 0.00 54.13 56.75 1xee s LEU 80 Cb -0.35 -3.60 -0.12 0.00 0.50 0.00 0.00 46.19 42.61 1xee s LEU 80 CO 0.43 -0.66 1.14 0.00 -1.32 0.00 0.00 176.35 175.95 1xee n ALA 81 N 3.23 0.58 -0.12 5.97 0.00 -1.26 -4.89 120.51 124.02 1xee n ALA 81 Ca 0.09 0.35 0.03 0.00 0.00 0.00 0.00 53.44 53.91 1xee n ALA 81 Cb 0.41 -2.14 0.33 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 2.17 0.77 0.00 0.00 3.07 -1.99 -1.08 114.58 117.52 1xee h GLU 82 Ca -0.44 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.38 1xee h GLU 82 Cb 1.31 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1xee h GLU 82 CO 0.61 0.51 -0.01 -0.44 -1.40 0.00 0.00 179.01 178.27 1xee h ASP 83 N 0.79 0.00 0.06 1.42 3.32 -1.99 -1.04 116.42 118.98 1xee h ASP 83 Ca 0.23 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 1xee h ASP 83 Cb -0.05 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1xee h ASP 83 CO -0.05 0.01 -2.05 0.54 -1.72 0.00 0.00 179.24 175.97 1xee n ARG 84 N -3.14 0.66 0.14 3.56 1.74 -0.50 -4.44 116.66 114.67 1xee n ARG 84 Ca -0.01 -0.12 0.04 0.00 -0.77 0.00 0.00 57.85 56.98 1xee n ARG 84 Cb 0.20 -1.54 0.45 0.00 -1.02 0.00 0.00 32.46 30.54 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 0.22 -0.54 5.56 1.57 -0.24 -2.59 116.57 120.54 1xee h LYS 85 Ca -0.15 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1xee h LYS 85 Cb 1.35 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1xee h LYS 85 CO 0.01 0.29 0.00 0.27 -0.57 0.00 0.00 179.45 179.45 1xee n ASN 86 N -4.35 4.79 -4.68 0.86 0.23 -1.08 -1.63 115.26 109.41 1xee n ASN 86 Ca -0.01 -2.65 -0.41 0.00 -0.53 0.00 0.00 54.58 50.97 1xee n ASN 86 Cb 0.21 -0.58 -0.04 0.00 -2.08 0.00 0.00 39.78 37.28 1xee n ASN 86 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1xee s VAL 87 N -2.22 4.89 0.48 3.53 1.01 -0.98 -4.94 120.40 122.17 1xee s VAL 87 Ca 0.49 1.65 -0.11 0.00 0.00 0.00 0.00 61.98 64.02 1xee s VAL 87 Cb 0.34 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 1xee s VAL 87 CO 0.19 0.05 0.86 -1.61 0.00 0.00 0.00 175.10 174.59 1xee s GLU 88 N 2.01 3.73 -0.33 2.72 2.02 -1.26 -0.21 118.70 127.37 1xee s GLU 88 Ca 0.39 0.56 -0.13 0.00 0.02 0.00 0.00 54.97 55.81 1xee s GLU 88 Cb -0.17 -2.28 -0.02 0.00 0.10 0.00 0.00 34.13 31.76 1xee s GLU 88 CO 0.13 -0.21 0.27 -0.51 0.02 0.00 0.00 175.26 174.96 1xee s LEU 89 N -4.32 4.45 0.52 1.80 1.43 -1.26 -4.86 118.68 116.45 1xee s LEU 89 Ca 0.53 -0.33 0.20 0.00 -1.03 0.00 0.00 54.13 53.50 1xee s LEU 89 Cb -0.10 -2.20 0.70 0.00 0.03 0.00 0.00 46.19 44.62 1xee s LEU 89 CO 0.38 -0.25 1.08 0.18 0.23 0.00 0.00 176.35 177.98 1xee n LEU 90 N 5.18 0.00 -3.83 1.79 4.77 -1.26 -4.90 117.00 118.75 1xee n LEU 90 Ca -0.12 0.63 -0.07 0.00 -0.03 0.00 0.00 56.01 56.42 1xee n LEU 90 Cb 0.50 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1xee n LEU 90 CO 0.37 -0.63 0.63 -0.83 -1.33 0.00 0.00 177.39 175.60 1xee s GLY 91 N -3.18 0.25 0.24 -0.72 0.00 -1.26 -4.85 107.32 97.80 1xee s GLY 91 Ca -0.02 -0.57 -0.20 0.00 0.00 0.00 0.00 44.72 43.93 1xee s GLY 91 CO 0.36 0.60 0.75 -1.59 0.00 0.00 0.00 173.10 173.21 1xee s LYS 92 N -2.35 4.27 -0.31 2.90 -2.85 -1.26 -4.60 119.74 115.53 1xee s LYS 92 Ca 0.17 0.90 -0.35 0.00 -1.00 0.00 0.00 55.97 55.69 1xee s LYS 92 Cb -0.04 -2.84 -0.12 0.00 -2.06 0.00 0.00 37.83 32.77 1xee s LYS 92 CO 0.09 0.37 2.11 -0.12 0.10 0.00 0.00 175.35 177.90 1xee n MET 93 N 0.63 1.23 -0.07 1.78 0.00 -1.26 -2.96 117.12 116.47 1xee n MET 93 Ca -0.02 0.37 -0.09 0.00 -0.00 0.00 0.00 57.70 57.96 1xee n MET 93 Cb 0.51 -2.47 -0.06 0.00 0.00 0.00 0.00 33.22 31.20 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 11.62 0.00 -2.70 1.12 3.20 -1.08 -3.15 116.97 125.98 1xee h TYR 94 Ca -0.32 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.44 1xee h TYR 94 Cb 1.31 0.00 -0.23 0.00 1.54 0.00 0.00 36.73 39.36 1xee h TYR 94 CO 0.93 0.54 -0.19 0.15 -1.64 0.00 0.00 178.16 177.95 1xee s LYS 95 N -2.09 0.59 -0.21 1.82 1.02 -0.65 -0.33 119.74 119.89 1xee s LYS 95 Ca -0.15 0.41 0.02 0.00 0.02 0.00 0.00 55.97 56.26 1xee s LYS 95 Cb 0.01 0.28 0.03 0.00 -0.52 0.00 0.00 37.83 37.64 1xee s LYS 95 CO 0.34 -0.11 -0.16 0.99 -0.92 0.00 0.00 175.35 175.49 1xee s THR 96 N -0.22 2.16 -0.40 2.17 2.01 -0.26 -0.43 115.64 120.68 1xee s THR 96 Ca -0.04 -1.20 -0.09 0.00 0.31 0.00 0.00 61.69 60.68 1xee s THR 96 Cb -0.03 -2.06 0.06 0.00 0.01 0.00 0.00 72.50 70.48 1xee s THR 96 CO 0.02 0.31 0.22 -0.31 -0.69 0.00 0.00 174.62 174.17 1xee s TYR 97 N 1.22 3.31 0.02 4.92 1.51 0.04 -0.58 117.35 127.80 1xee s TYR 97 Ca -0.00 -1.43 -0.23 0.00 -1.01 0.00 0.00 57.07 54.39 1xee s TYR 97 Cb -0.16 -2.76 -0.05 0.00 -0.11 0.00 0.00 41.96 38.88 1xee s TYR 97 CO -0.09 -0.80 0.71 -0.06 -1.11 0.00 0.00 175.55 174.19 1xee s PHE 98 N 1.44 3.70 0.02 2.71 0.08 -0.08 -0.67 117.98 125.19 1xee s PHE 98 Ca 0.02 1.37 0.09 0.00 0.12 0.00 0.00 56.93 58.53 1xee s PHE 98 Cb -0.22 -2.75 -0.03 0.00 -0.57 0.00 0.00 43.02 39.46 1xee s PHE 98 CO 0.03 0.28 -0.26 -0.06 -0.10 0.00 0.00 175.22 175.11 1xee s PHE 99 N -0.02 2.32 0.97 0.36 0.08 0.13 -2.39 117.98 119.42 1xee s PHE 99 Ca 0.36 -0.42 -0.14 0.00 0.12 0.00 0.00 56.93 56.85 1xee s PHE 99 Cb -0.19 -1.43 0.17 0.00 -0.57 0.00 0.00 43.02 41.00 1xee s PHE 99 CO 0.21 0.07 1.15 0.15 -0.10 0.00 0.00 175.22 176.70 1xee s LYS 100 N -1.03 0.67 -0.61 0.44 1.02 -1.25 -1.88 119.74 117.10 1xee s LYS 100 Ca 0.11 0.17 -0.25 0.00 0.02 0.00 0.00 55.97 56.02 1xee s LYS 100 Cb -0.10 -1.80 0.04 0.00 -0.52 0.00 0.00 37.83 35.46 1xee s LYS 100 CO 0.01 -2.49 1.04 0.21 -0.92 0.00 0.00 175.35 173.20 1xee s LYS 101 N -5.35 3.29 0.00 1.68 2.20 -1.26 -1.78 119.74 118.52 1xee s LYS 101 Ca 0.66 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 1xee s LYS 101 Cb -0.13 -4.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.09 1xee s LYS 101 CO 0.54 -1.70 0.00 0.41 -0.36 0.00 0.00 175.35 174.24 1xee n GLY 102 N 5.20 0.61 3.04 5.54 0.00 -1.26 -5.00 105.19 113.31 1xee n GLY 102 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.87 0.86 -0.08 1.61 0.41 -0.74 -5.00 118.70 114.89 1xee s GLU 103 Ca 0.00 -0.36 0.12 0.00 -0.41 0.00 0.00 54.97 54.32 1xee s GLU 103 Cb 0.00 -0.83 0.48 0.00 -1.78 0.00 0.00 34.13 32.00 1xee s GLU 103 CO 0.00 0.20 1.33 0.45 -0.49 0.00 0.00 175.26 176.75 1xee n SER 104 N 2.92 3.34 -4.35 -0.19 2.88 -1.26 -3.97 113.62 112.99 1xee n SER 104 Ca -0.14 -2.31 -0.41 0.00 -1.33 0.00 0.00 58.87 54.68 1xee n SER 104 Cb 0.56 -0.47 -0.10 0.00 -0.75 0.00 0.00 64.21 63.44 1xee n SER 104 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1xee s LYS 105 N -1.76 2.78 -0.14 -1.46 1.02 -1.26 -5.06 119.74 113.85 1xee s LYS 105 Ca 0.34 -1.22 -0.29 0.00 0.02 0.00 0.00 55.97 54.82 1xee s LYS 105 Cb 0.22 -3.79 -0.02 0.00 -0.52 0.00 0.00 37.83 33.72 1xee s LYS 105 CO 0.16 -0.81 1.28 0.45 -0.92 0.00 0.00 175.35 175.51 1xee s SER 106 N 1.81 6.94 0.03 2.83 0.15 -1.26 -4.01 113.70 120.20 1xee s SER 106 Ca 0.02 1.75 0.22 0.00 0.70 0.00 0.00 55.95 58.65 1xee s SER 106 Cb -0.21 -2.54 -0.07 0.00 -1.71 0.00 0.00 66.02 61.50 1xee s SER 106 CO 0.05 -0.74 0.91 -1.20 1.20 0.00 0.00 173.24 173.47 1xee n SER 107 N 6.38 0.58 -3.69 5.45 7.64 -1.01 -4.84 113.62 124.13 1xee n SER 107 Ca 0.14 -0.29 -0.10 0.00 1.01 0.00 0.00 58.87 59.62 1xee n SER 107 Cb 0.45 1.03 -0.10 0.00 -1.01 0.00 0.00 64.21 64.58 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 -3.22 -0.66 0.01 1.43 6.14 -1.25 -5.08 117.35 114.71 1xee s TYR 108 Ca 0.02 1.43 0.01 0.00 0.64 0.00 0.00 57.07 59.17 1xee s TYR 108 Cb 0.14 0.31 -0.01 0.00 0.42 0.00 0.00 41.96 42.82 1xee s TYR 108 CO 0.83 -0.35 -0.03 0.54 0.64 0.00 0.00 175.55 177.18 1xee s VAL 109 N 1.19 0.18 0.29 3.14 0.11 -1.25 -0.90 120.40 123.16 1xee s VAL 109 Ca -0.08 -0.50 0.07 0.00 -2.93 0.00 0.00 61.98 58.54 1xee s VAL 109 Cb -0.07 -0.23 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 1xee s VAL 109 CO -0.11 -0.21 0.28 -0.63 -3.33 0.00 0.00 175.10 171.10 1xee s ILE 110 N -0.71 4.19 -0.14 7.04 1.01 0.26 -4.88 121.20 127.97 1xee s ILE 110 Ca -0.07 -1.30 -0.03 0.00 0.00 0.00 0.00 60.65 59.25 1xee s ILE 110 Cb -0.05 -3.39 0.05 0.00 0.01 0.00 0.00 42.46 39.08 1xee s ILE 110 CO -0.00 -0.27 0.06 0.21 0.00 0.00 0.00 174.94 174.94 1xee s ASN 111 N -3.95 2.13 0.40 3.58 3.04 -1.26 -1.10 114.94 117.77 1xee s ASN 111 Ca 0.37 -0.45 -0.01 0.00 0.04 0.00 0.00 52.86 52.81 1xee s ASN 111 Cb -0.07 -0.33 -0.03 0.00 -1.54 0.00 0.00 41.25 39.28 1xee s ASN 111 CO 0.27 -0.30 0.63 -0.83 -3.04 0.00 0.00 177.10 173.82 1xee s GLY 112 N 2.06 1.42 0.20 1.21 0.00 0.55 -4.97 107.32 107.79 1xee s GLY 112 Ca 0.02 -0.87 0.16 0.00 0.00 0.00 0.00 44.72 44.04 1xee s GLY 112 CO -0.07 -0.76 1.50 -1.05 0.00 0.00 0.00 173.10 172.73 1xee n PRO 113 N -1.95 0.11 0.00 2.90 -0.02 -1.23 -3.40 135.00 131.40 1xee n PRO 113 Ca -0.02 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1xee n PRO 113 Cb 0.56 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1xee n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xee n GLY 114 N -0.88 -3.06 2.34 -1.23 0.00 -1.19 -4.83 105.19 96.34 1xee n GLY 114 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1xee n GLY 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xee n LYS 115 N -1.95 0.00 -4.65 1.61 4.81 -1.22 -4.89 118.16 111.87 1xee n LYS 115 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 1xee n LYS 115 Cb 0.00 -0.35 -0.12 0.00 0.02 0.00 0.00 35.03 34.59 1xee n LYS 115 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1xee s THR 116 N -1.59 3.63 -0.16 3.15 -1.32 -1.26 -5.00 115.64 113.08 1xee s THR 116 Ca 0.00 -0.51 0.16 0.00 -1.21 0.00 0.00 61.69 60.13 1xee s THR 116 Cb 0.00 -2.48 0.35 0.00 -1.51 0.00 0.00 72.50 68.86 1xee s THR 116 CO 0.00 0.59 1.19 -3.20 -2.21 0.00 0.00 174.62 171.00 1xee n ASN 117 N 2.29 2.20 0.00 8.08 4.05 -1.26 -4.49 115.26 126.12 1xee n ASN 117 Ca -0.18 -3.38 0.00 0.00 0.45 0.00 0.00 54.58 51.47 1xee n ASN 117 Cb 0.53 -0.47 0.00 0.00 1.23 0.00 0.00 39.78 41.06 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 -1.29 0.00 -3.84 1.20 1.02 -1.26 -4.42 120.64 112.05 1xee n GLU 118 Ca 0.18 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.08 1xee n GLU 118 Cb 0.68 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.06 1xee n GLU 118 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1xee s TYR 119 N 0.29 2.46 0.00 -0.32 1.13 -1.26 -1.55 117.35 118.10 1xee s TYR 119 Ca 0.00 -0.60 0.00 0.00 -1.41 0.00 0.00 57.07 55.06 1xee s TYR 119 Cb 0.00 -2.04 0.00 0.00 -1.10 0.00 0.00 41.96 38.82 1xee s TYR 119 CO 0.00 -0.08 0.00 0.00 -2.51 0.00 0.00 175.55 172.96 1xee n ALA 120 N -1.47 0.00 0.00 9.51 0.00 -1.26 -4.50 120.51 122.78 1xee n ALA 120 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1xee n ALA 120 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1xee n ALA 120 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16