#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 4.71 -0.57 6.41 3.41 -1.26 -4.43 113.62 121.89 1xee n SER 32 Ca 0.00 -2.92 0.04 0.00 -0.26 0.00 0.00 58.87 55.73 1xee n SER 32 Cb 0.00 -1.69 0.06 0.00 -0.26 0.00 0.00 64.21 62.31 1xee n SER 32 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xee n GLY 33 N 4.79 2.14 3.55 5.00 0.00 -1.26 -5.05 105.19 114.36 1xee n GLY 33 Ca 0.48 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.39 -3.33 -0.02 0.99 4.77 -1.26 -4.93 117.00 112.84 1xee n LEU 34 Ca 0.07 -0.58 -0.07 0.00 -0.03 0.00 0.00 56.01 55.39 1xee n LEU 34 Cb 0.76 -2.07 0.10 0.00 -2.33 0.00 0.00 43.42 39.88 1xee n LEU 34 CO -0.01 -0.14 0.60 -0.65 -1.33 0.00 0.00 177.39 175.87 1xee h PRO 35 N 0.35 0.59 -3.71 3.23 0.11 -1.97 -3.32 132.00 127.29 1xee h PRO 35 Ca -0.46 -0.29 -0.74 0.00 0.11 0.00 0.00 66.00 64.61 1xee h PRO 35 Cb 1.30 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.29 1xee h PRO 35 CO 0.32 0.88 2.33 2.41 -0.21 0.00 0.00 178.00 183.73 1xee n THR 36 N -4.04 4.09 -4.18 -1.15 -1.04 -1.26 -4.88 114.28 101.82 1xee n THR 36 Ca -0.02 -4.01 -0.30 0.00 -2.04 0.00 0.00 64.05 57.69 1xee n THR 36 Cb 0.51 -2.43 -0.09 0.00 -1.82 0.00 0.00 70.33 66.50 1xee n THR 36 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1xee s THR 37 N 1.26 3.66 0.16 12.58 -4.23 -1.25 -1.19 115.64 126.64 1xee s THR 37 Ca 0.42 -1.17 -0.15 0.00 -1.18 0.00 0.00 61.69 59.61 1xee s THR 37 Cb 0.10 -2.74 0.03 0.00 1.34 0.00 0.00 72.50 71.23 1xee s THR 37 CO -0.02 0.10 1.79 0.25 -0.54 0.00 0.00 174.62 176.20 1xee h LEU 38 N 3.46 0.37 -1.80 4.79 6.46 -0.12 -1.41 115.31 127.06 1xee h LEU 38 Ca -0.48 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.28 1xee h LEU 38 Cb 1.17 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 41.03 1xee h LEU 38 CO 0.56 0.27 -0.02 1.23 -0.62 0.00 0.00 178.44 179.86 1xee h GLY 39 N 0.47 0.00 0.34 3.75 0.00 -1.56 0.24 103.07 106.33 1xee h GLY 39 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 1xee h GLY 39 CO -0.09 0.00 -0.12 1.70 0.00 0.00 0.00 176.54 178.03 1xee h LYS 40 N 0.00 0.09 0.60 4.80 3.11 -1.53 -3.14 116.57 120.50 1xee h LYS 40 Ca -0.00 -0.09 -0.03 0.00 -2.81 0.00 0.00 60.65 57.72 1xee h LYS 40 Cb 0.40 0.02 0.01 0.00 -1.00 0.00 0.00 32.23 31.67 1xee h LYS 40 CO 0.00 0.84 -0.29 1.25 -2.81 0.00 0.00 179.45 178.44 1xee h LEU 41 N -0.63 -0.69 -0.75 5.20 5.85 -0.77 -2.81 115.31 120.71 1xee h LEU 41 Ca -0.01 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1xee h LEU 41 Cb 0.88 0.18 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 1xee h LEU 41 CO 0.02 -0.43 -0.44 -0.67 -0.34 0.00 0.00 178.44 176.58 1xee n ASP 42 N -5.41 -0.80 -0.33 1.25 2.03 0.80 0.46 116.55 114.57 1xee n ASP 42 Ca -0.13 1.52 0.13 0.00 0.52 0.00 0.00 54.79 56.84 1xee n ASP 42 Cb 0.34 -0.26 0.32 0.00 -0.72 0.00 0.00 41.12 40.80 1xee n ASP 42 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1xee h GLU 43 N 0.00 0.56 0.00 -0.67 4.81 -1.61 -0.97 114.58 116.69 1xee h GLU 43 Ca 0.12 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 1xee h GLU 43 Cb 0.31 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1xee h GLU 43 CO -0.71 0.37 -0.64 0.00 -0.73 0.00 0.00 179.01 177.31 1xee h ARG 44 N 0.58 0.00 -0.23 1.92 2.47 -0.78 -2.34 114.38 115.99 1xee h ARG 44 Ca 0.57 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 59.20 1xee h ARG 44 Cb 0.99 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.31 1xee h ARG 44 CO -0.45 0.64 -0.21 -0.07 0.56 0.00 0.00 179.97 180.44 1xee h LEU 45 N 0.00 0.59 -0.38 3.04 3.38 0.65 0.13 115.31 122.72 1xee h LEU 45 Ca -0.01 -0.46 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 1xee h LEU 45 Cb 1.37 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1xee h LEU 45 CO 0.08 0.93 -0.11 0.03 0.09 0.00 0.00 178.44 179.46 1xee h ARG 46 N 0.25 0.74 -0.69 1.13 3.08 -1.10 -0.28 114.38 117.51 1xee h ARG 46 Ca 0.04 -0.29 0.05 0.00 0.07 0.00 0.00 59.98 59.85 1xee h ARG 46 Cb 0.75 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.71 1xee h ARG 46 CO 0.05 0.89 0.40 -0.91 -1.07 0.00 0.00 179.97 179.34 1xee h ASN 47 N 0.54 0.61 0.03 7.04 2.35 -1.33 -2.94 115.58 121.89 1xee h ASN 47 Ca 0.09 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 1xee h ASN 47 Cb 0.63 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1xee h ASN 47 CO 0.04 0.40 -0.19 0.22 -1.65 0.00 0.00 177.43 176.25 1xee h TYR 48 N 0.75 0.32 -0.68 1.19 3.20 -0.25 -2.45 116.97 119.05 1xee h TYR 48 Ca 0.30 -0.05 0.13 0.00 3.14 0.00 0.00 58.73 62.25 1xee h TYR 48 Cb 0.15 -0.09 -0.09 0.00 1.54 0.00 0.00 36.73 38.24 1xee h TYR 48 CO -0.07 0.48 0.20 -0.07 -1.64 0.00 0.00 178.16 177.07 1xee h LEU 49 N 0.28 0.11 -2.51 2.82 3.38 -0.87 0.20 115.31 118.72 1xee h LEU 49 Ca 0.05 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xee h LEU 49 Cb 0.51 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1xee h LEU 49 CO 0.03 0.04 -0.02 0.11 0.09 0.00 0.00 178.44 178.70 1xee h LYS 50 N 0.33 0.00 0.00 1.13 6.56 -1.45 0.19 116.57 123.34 1xee h LYS 50 Ca 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.95 1xee h LYS 50 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.21 1xee h LYS 50 CO -0.41 0.02 -1.08 1.63 -2.06 0.00 0.00 179.45 177.55 1xee n LYS 51 N -3.57 0.16 -0.12 3.15 5.02 -0.23 -4.70 118.16 117.86 1xee n LYS 51 Ca -0.03 -0.03 -0.25 0.00 -2.02 0.00 0.00 58.31 55.99 1xee n LYS 51 Cb 0.11 -1.53 -0.09 0.00 -0.02 0.00 0.00 35.03 33.51 1xee n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xee n GLY 52 N 1.44 -0.37 3.19 0.72 0.00 0.53 -5.08 105.19 105.62 1xee n GLY 52 Ca 0.03 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.43 1.48 -2.00 2.61 -1.32 0.62 -5.03 115.64 109.57 1xee s THR 53 Ca -0.33 -0.82 0.20 0.00 -1.21 0.00 0.00 61.69 59.53 1xee s THR 53 Cb 0.12 -1.23 0.56 0.00 -1.51 0.00 0.00 72.50 70.44 1xee s THR 53 CO 0.42 0.40 1.59 2.29 -2.21 0.00 0.00 174.62 177.11 1xee n LYS 54 N 2.57 0.70 -1.10 7.08 2.85 -1.26 -4.18 118.16 124.83 1xee n LYS 54 Ca -0.15 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 56.96 1xee n LYS 54 Cb 0.54 -1.44 0.16 0.00 -0.65 0.00 0.00 35.03 33.64 1xee n LYS 54 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1xee n ASN 55 N -0.94 3.65 -0.25 -5.58 4.13 -1.26 -4.80 115.26 110.21 1xee n ASN 55 Ca 0.15 -3.75 0.23 0.00 1.68 0.00 0.00 54.58 52.89 1xee n ASN 55 Cb 0.07 -0.70 0.40 0.00 -1.54 0.00 0.00 39.78 38.01 1xee n ASN 55 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1xee n SER 56 N -1.07 0.18 -0.17 6.41 7.64 -1.26 -1.66 113.62 123.69 1xee n SER 56 Ca 0.45 0.98 0.15 0.00 1.01 0.00 0.00 58.87 61.46 1xee n SER 56 Cb 1.15 -0.48 0.70 0.00 -1.01 0.00 0.00 64.21 64.57 1xee n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xee n ALA 57 N -2.54 2.69 1.27 -0.43 0.00 -1.26 -3.29 120.51 116.95 1xee n ALA 57 Ca 0.25 -0.29 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1xee n ALA 57 Cb 0.91 -1.35 0.37 0.00 0.00 0.00 0.00 19.45 19.38 1xee n ALA 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xee n GLN 58 N -0.69 1.08 -4.12 0.00 3.00 -0.66 -4.83 117.38 111.15 1xee n GLN 58 Ca 0.19 -0.67 -0.34 0.00 -0.01 0.00 0.00 57.00 56.17 1xee n GLN 58 Cb 0.24 -1.49 -0.14 0.00 0.00 0.00 0.00 30.24 28.86 1xee n GLN 58 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1xee s PHE 59 N -2.38 2.92 -0.08 1.08 0.08 -1.21 -3.75 117.98 114.64 1xee s PHE 59 Ca 0.27 -0.91 0.06 0.00 0.12 0.00 0.00 56.93 56.48 1xee s PHE 59 Cb 0.20 -2.03 -0.24 0.00 -0.57 0.00 0.00 43.02 40.38 1xee s PHE 59 CO 0.48 -0.48 0.51 -1.91 -0.10 0.00 0.00 175.22 173.72 1xee n GLU 60 N 4.46 0.68 -3.59 0.44 2.13 -0.87 -4.55 120.64 119.34 1xee n GLU 60 Ca -0.18 0.26 -0.16 0.00 0.66 0.00 0.00 57.16 57.74 1xee n GLU 60 Cb 0.51 -1.74 -0.07 0.00 0.27 0.00 0.00 31.44 30.41 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 0.91 0.09 5.31 -2.85 -1.18 -0.89 119.74 118.56 1xee s LYS 61 Ca -0.12 0.62 0.07 0.00 -1.00 0.00 0.00 55.97 55.54 1xee s LYS 61 Cb 0.07 0.44 -0.03 0.00 -2.06 0.00 0.00 37.83 36.25 1xee s LYS 61 CO 0.80 -0.20 -0.17 0.00 0.10 0.00 0.00 175.35 175.88 1xee s MET 62 N -0.36 0.98 -0.15 1.78 0.23 0.46 0.45 119.30 122.69 1xee s MET 62 Ca -0.05 -1.08 0.02 0.00 -1.03 0.00 0.00 55.69 53.55 1xee s MET 62 Cb -0.03 -1.10 0.01 0.00 -1.53 0.00 0.00 34.83 32.18 1xee s MET 62 CO 0.05 0.25 -0.21 0.08 -2.03 0.00 0.00 175.02 173.16 1xee s VAL 63 N -1.29 2.02 -0.27 5.16 1.01 0.70 -0.53 120.40 127.22 1xee s VAL 63 Ca 0.03 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 1xee s VAL 63 Cb -0.10 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1xee s VAL 63 CO 0.03 0.54 0.29 -0.63 0.00 0.00 0.00 175.10 175.33 1xee s ILE 64 N 0.98 5.24 -0.23 2.22 1.09 0.48 -0.56 121.20 130.42 1xee s ILE 64 Ca -0.03 0.40 -0.06 0.00 -1.10 0.00 0.00 60.65 59.86 1xee s ILE 64 Cb -0.15 -3.62 -0.02 0.00 -1.06 0.00 0.00 42.46 37.61 1xee s ILE 64 CO -0.05 0.21 0.04 -0.76 -0.10 0.00 0.00 174.94 174.27 1xee s LEU 65 N 1.83 3.31 0.47 2.97 1.43 -0.05 -2.09 118.68 126.55 1xee s LEU 65 Ca 0.12 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 1xee s LEU 65 Cb -0.16 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 1xee s LEU 65 CO 0.10 -0.01 0.02 0.42 0.23 0.00 0.00 176.35 177.11 1xee s THR 66 N 1.45 1.31 0.44 5.49 -4.23 -0.95 -0.21 115.64 118.93 1xee s THR 66 Ca 0.05 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.49 1xee s THR 66 Cb -0.15 -2.40 0.11 0.00 1.34 0.00 0.00 72.50 71.41 1xee s THR 66 CO 0.02 0.00 0.31 -0.62 -0.54 0.00 0.00 174.62 173.78 1xee n GLU 67 N -1.14 -2.46 0.00 3.99 1.02 -0.83 -3.49 120.64 117.72 1xee n GLU 67 Ca -0.14 -0.50 0.00 0.00 -0.02 0.00 0.00 57.16 56.50 1xee n GLU 67 Cb 0.67 -0.58 0.00 0.00 -0.02 0.00 0.00 31.44 31.51 1xee n GLU 67 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xee n ASN 68 N -3.79 0.00 -1.10 1.62 3.02 0.08 -2.58 115.26 112.51 1xee n ASN 68 Ca 0.05 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.59 1xee n ASN 68 Cb 0.19 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.35 1xee n ASN 68 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xee n LYS 69 N 0.00 0.00 -2.37 3.52 5.02 -1.25 -0.63 118.16 122.45 1xee n LYS 69 Ca 0.00 -1.33 -0.43 0.00 -2.02 0.00 0.00 58.31 54.53 1xee n LYS 69 Cb 0.00 0.10 -0.02 0.00 -0.02 0.00 0.00 35.03 35.09 1xee n LYS 69 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1xee s GLY 70 N -1.33 1.12 -0.30 0.72 0.00 -1.06 -4.95 107.32 101.52 1xee s GLY 70 Ca 0.15 -0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.72 1xee s GLY 70 CO -0.07 2.73 -0.01 -0.19 0.00 0.00 0.00 173.10 175.56 1xee s TYR 71 N 5.31 3.24 -0.16 1.90 1.51 -1.25 -2.24 117.35 125.66 1xee s TYR 71 Ca 0.60 -2.52 0.01 0.00 -1.01 0.00 0.00 57.07 54.15 1xee s TYR 71 Cb -0.13 -2.33 0.02 0.00 -0.11 0.00 0.00 41.96 39.41 1xee s TYR 71 CO 0.32 -0.90 -0.18 0.71 -1.11 0.00 0.00 175.55 174.39 1xee s TYR 72 N 1.09 2.56 -0.25 2.71 2.02 -0.89 -4.95 117.35 119.65 1xee s TYR 72 Ca 0.03 -1.47 -0.07 0.00 -0.37 0.00 0.00 57.07 55.19 1xee s TYR 72 Cb -0.19 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.54 1xee s TYR 72 CO -0.08 -0.74 0.06 0.99 -1.57 0.00 0.00 175.55 174.21 1xee s THR 73 N 1.28 4.25 -0.02 -0.71 2.01 -1.26 -0.39 115.64 120.81 1xee s THR 73 Ca 0.03 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 61.85 1xee s THR 73 Cb -0.13 -2.99 0.01 0.00 0.01 0.00 0.00 72.50 69.40 1xee s THR 73 CO -0.11 0.35 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.43 1xee s VAL 74 N 1.58 0.47 -0.37 3.82 1.01 0.31 -4.97 120.40 122.25 1xee s VAL 74 Ca 0.06 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 1xee s VAL 74 Cb -0.15 -0.45 -0.00 0.00 0.00 0.00 0.00 36.38 35.78 1xee s VAL 74 CO 0.03 0.17 0.28 -0.31 0.00 0.00 0.00 175.10 175.28 1xee s TYR 75 N 0.40 3.23 0.65 5.22 2.02 -1.26 -0.40 117.35 127.21 1xee s TYR 75 Ca -0.05 -0.33 0.21 0.00 -0.37 0.00 0.00 57.07 56.53 1xee s TYR 75 Cb -0.09 -2.56 1.10 0.00 -0.40 0.00 0.00 41.96 40.01 1xee s TYR 75 CO -0.00 -0.47 1.61 -0.07 -1.57 0.00 0.00 175.55 175.05 1xee h LEU 76 N 8.60 0.00 0.00 -1.29 3.38 -1.28 -3.17 115.31 121.55 1xee h LEU 76 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1xee h LEU 76 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1xee h LEU 76 CO 0.68 0.00 -0.99 -0.46 0.09 0.00 0.00 178.44 177.77 1xee n ASN 77 N -2.92 0.62 -4.24 -0.43 6.94 -1.24 -4.90 115.26 109.09 1xee n ASN 77 Ca 0.02 -0.17 -0.19 0.00 -0.02 0.00 0.00 54.58 54.22 1xee n ASN 77 Cb 0.68 0.73 -0.11 0.00 -2.36 0.00 0.00 39.78 38.71 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 -3.20 1.37 0.57 5.53 -4.23 -1.20 -5.14 115.64 109.35 1xee s THR 78 Ca 0.04 -1.66 -0.19 0.00 -1.18 0.00 0.00 61.69 58.69 1xee s THR 78 Cb 0.14 -1.49 -0.05 0.00 1.34 0.00 0.00 72.50 72.44 1xee s THR 78 CO 0.79 -0.35 1.19 -2.84 -0.54 0.00 0.00 174.62 172.87 1xee s PRO 79 N -2.49 3.15 0.17 3.99 0.02 -1.26 -4.76 135.00 133.82 1xee s PRO 79 Ca 0.08 1.79 -0.30 0.00 0.02 0.00 0.00 61.00 62.59 1xee s PRO 79 Cb -0.06 -2.01 -0.08 0.00 0.02 0.00 0.00 34.50 32.37 1xee s PRO 79 CO 0.03 -1.06 1.19 -1.17 -0.33 0.00 0.00 177.00 175.67 1xee s LEU 80 N -3.88 4.45 0.31 -5.54 2.96 -1.26 -4.97 118.68 110.74 1xee s LEU 80 Ca 0.75 2.20 -0.29 0.00 -0.22 0.00 0.00 54.13 56.56 1xee s LEU 80 Cb -0.29 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.69 1xee s LEU 80 CO 0.32 -0.37 1.51 0.00 -1.32 0.00 0.00 176.35 176.50 1xee s ALA 81 N 0.04 3.66 0.50 5.97 0.00 -1.26 -4.81 121.76 125.85 1xee s ALA 81 Ca 0.53 1.49 0.15 0.00 0.00 0.00 0.00 51.96 54.13 1xee s ALA 81 Cb -0.32 -3.61 1.20 0.00 0.00 0.00 0.00 23.12 20.40 1xee s ALA 81 CO 0.36 -0.92 2.12 1.05 0.00 0.00 0.00 175.76 178.37 1xee h GLU 82 N 4.32 0.10 -0.67 0.00 4.11 -1.99 0.13 114.58 120.57 1xee h GLU 82 Ca -0.48 -0.01 0.03 0.00 0.07 0.00 0.00 59.36 58.98 1xee h GLU 82 Cb 1.22 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 1xee h GLU 82 CO 0.74 0.07 0.44 0.22 0.07 0.00 0.00 179.01 180.55 1xee h ASP 83 N 0.10 0.69 0.63 3.06 1.82 -2.00 -2.74 116.42 117.99 1xee h ASP 83 Ca 0.04 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1xee h ASP 83 Cb 0.04 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 39.89 1xee h ASP 83 CO -0.01 0.48 -1.37 0.54 -1.61 0.00 0.00 179.24 177.27 1xee n ARG 84 N -4.46 0.63 -0.18 0.28 1.74 0.31 -3.81 116.66 111.17 1xee n ARG 84 Ca 0.08 0.01 -0.03 0.00 -0.77 0.00 0.00 57.85 57.14 1xee n ARG 84 Cb 0.12 -1.72 0.07 0.00 -1.02 0.00 0.00 32.46 29.91 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 0.47 -0.62 5.56 1.57 -0.87 -2.14 116.57 120.55 1xee h LYS 85 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1xee h LYS 85 Cb 1.02 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1xee h LYS 85 CO 0.00 0.31 0.00 0.09 -0.57 0.00 0.00 179.45 179.28 1xee n ASN 86 N -4.91 2.00 -4.68 0.86 3.02 -1.19 -2.19 115.26 108.17 1xee n ASN 86 Ca 0.06 -2.18 -0.40 0.00 -0.03 0.00 0.00 54.58 52.03 1xee n ASN 86 Cb 0.17 -0.40 -0.05 0.00 -0.61 0.00 0.00 39.78 38.89 1xee n ASN 86 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xee s VAL 87 N -1.61 4.97 0.30 2.41 1.01 -0.80 -4.92 120.40 121.76 1xee s VAL 87 Ca 0.17 1.44 -0.28 0.00 0.00 0.00 0.00 61.98 63.31 1xee s VAL 87 Cb 0.11 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 1xee s VAL 87 CO 0.07 0.12 1.00 -1.83 0.00 0.00 0.00 175.10 174.46 1xee s GLU 88 N 1.64 4.61 -0.50 2.72 1.03 -1.26 0.43 118.70 127.37 1xee s GLU 88 Ca 0.35 1.52 -0.29 0.00 0.03 0.00 0.00 54.97 56.59 1xee s GLU 88 Cb -0.17 -3.00 0.02 0.00 -0.80 0.00 0.00 34.13 30.19 1xee s GLU 88 CO 0.14 0.27 1.25 -0.51 -1.33 0.00 0.00 175.26 175.08 1xee s LEU 89 N -1.74 3.54 0.37 1.83 1.43 -0.33 -4.85 118.68 118.93 1xee s LEU 89 Ca 0.47 0.44 0.02 0.00 -1.03 0.00 0.00 54.13 54.03 1xee s LEU 89 Cb -0.25 -3.39 0.07 0.00 0.03 0.00 0.00 46.19 42.65 1xee s LEU 89 CO 0.31 -1.42 0.58 0.18 0.23 0.00 0.00 176.35 176.24 1xee n LEU 90 N 8.47 0.00 0.00 1.79 4.77 -1.26 -4.86 117.00 125.91 1xee n LEU 90 Ca 0.12 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1xee n LEU 90 Cb 0.49 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1xee n LEU 90 CO 0.71 -0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1xee n GLY 91 N -1.09 0.94 3.78 -0.72 0.00 -1.25 -4.28 105.19 102.57 1xee n GLY 91 Ca 0.02 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.34 4.28 -0.32 1.61 -0.14 -1.26 -4.49 119.74 119.07 1xee s LYS 92 Ca 0.00 1.52 -0.28 0.00 -1.36 0.00 0.00 55.97 55.85 1xee s LYS 92 Cb 0.00 -2.65 -0.02 0.00 -1.68 0.00 0.00 37.83 33.48 1xee s LYS 92 CO 0.00 -0.04 1.87 1.41 -0.76 0.00 0.00 175.35 177.83 1xee s MET 93 N -2.32 3.27 -0.09 1.68 1.75 -1.26 -1.98 119.30 120.36 1xee s MET 93 Ca 0.55 1.50 -0.02 0.00 -1.25 0.00 0.00 55.69 56.48 1xee s MET 93 Cb -0.23 -4.23 -0.01 0.00 2.84 0.00 0.00 34.83 33.20 1xee s MET 93 CO 0.29 -1.93 -0.03 -0.92 -0.65 0.00 0.00 175.02 171.77 1xee h TYR 94 N 13.34 0.00 -1.92 4.11 3.20 -0.86 -0.02 116.97 134.83 1xee h TYR 94 Ca -0.34 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.37 1xee h TYR 94 Cb 1.18 0.00 -0.30 0.00 1.54 0.00 0.00 36.73 39.15 1xee h TYR 94 CO 0.96 0.00 -0.48 0.15 -1.64 0.00 0.00 178.16 177.15 1xee s LYS 95 N -1.56 0.34 -0.35 1.82 1.02 -0.65 -2.15 119.74 118.21 1xee s LYS 95 Ca -0.02 0.54 -0.21 0.00 0.02 0.00 0.00 55.97 56.30 1xee s LYS 95 Cb 0.00 -0.47 0.00 0.00 -0.52 0.00 0.00 37.83 36.85 1xee s LYS 95 CO 0.04 -0.63 0.65 0.99 -0.92 0.00 0.00 175.35 175.48 1xee s THR 96 N 2.54 4.88 -0.20 2.17 2.01 0.30 -0.87 115.64 126.47 1xee s THR 96 Ca 0.12 0.63 -0.05 0.00 0.31 0.00 0.00 61.69 62.71 1xee s THR 96 Cb -0.15 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 1xee s THR 96 CO -0.16 -0.31 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.14 1xee s TYR 97 N 2.74 3.01 -0.20 4.92 2.02 0.28 -0.27 117.35 129.84 1xee s TYR 97 Ca 0.25 -0.57 -0.07 0.00 -0.37 0.00 0.00 57.07 56.31 1xee s TYR 97 Cb -0.14 -2.08 -0.04 0.00 -0.40 0.00 0.00 41.96 39.30 1xee s TYR 97 CO 0.15 -0.31 0.07 -0.06 -1.57 0.00 0.00 175.55 173.82 1xee s PHE 98 N 1.09 3.20 -0.20 2.71 0.40 1.00 -0.21 117.98 125.96 1xee s PHE 98 Ca 0.02 -0.05 -0.08 0.00 -0.60 0.00 0.00 56.93 56.22 1xee s PHE 98 Cb -0.14 -2.12 -0.04 0.00 0.51 0.00 0.00 43.02 41.22 1xee s PHE 98 CO 0.01 0.02 0.09 -0.06 0.70 0.00 0.00 175.22 175.97 1xee s PHE 99 N 0.72 3.26 0.51 0.36 0.08 0.17 0.08 117.98 123.17 1xee s PHE 99 Ca 0.03 0.07 -0.09 0.00 0.12 0.00 0.00 56.93 57.06 1xee s PHE 99 Cb -0.13 -2.14 -0.05 0.00 -0.57 0.00 0.00 43.02 40.13 1xee s PHE 99 CO 0.02 0.09 0.88 0.15 -0.10 0.00 0.00 175.22 176.27 1xee s LYS 100 N 0.63 3.66 -0.50 0.44 1.02 -1.26 -2.04 119.74 121.69 1xee s LYS 100 Ca 0.05 0.52 -0.27 0.00 0.02 0.00 0.00 55.97 56.29 1xee s LYS 100 Cb -0.13 -2.25 -0.02 0.00 -0.52 0.00 0.00 37.83 34.91 1xee s LYS 100 CO 0.01 -0.30 1.84 0.21 -0.92 0.00 0.00 175.35 176.20 1xee s LYS 101 N -4.62 2.89 0.00 1.68 2.47 -1.25 -0.86 119.74 120.06 1xee s LYS 101 Ca 0.52 0.94 0.00 0.00 -1.56 0.00 0.00 55.97 55.87 1xee s LYS 101 Cb -0.10 -4.31 0.00 0.00 -1.46 0.00 0.00 37.83 31.95 1xee s LYS 101 CO 0.43 -2.40 0.00 0.41 0.16 0.00 0.00 175.35 173.95 1xee n GLY 102 N 5.59 0.73 3.26 5.54 0.00 -1.26 -5.07 105.19 113.98 1xee n GLY 102 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.83 3.01 0.00 1.61 0.41 -0.04 -4.96 118.70 117.90 1xee s GLU 103 Ca 0.00 -0.88 0.21 0.00 -0.41 0.00 0.00 54.97 53.89 1xee s GLU 103 Cb 0.00 -3.09 1.16 0.00 -1.78 0.00 0.00 34.13 30.42 1xee s GLU 103 CO 0.00 -0.37 1.64 0.43 -0.49 0.00 0.00 175.26 176.47 1xee n SER 104 N 4.75 0.00 -4.64 -0.19 7.64 -1.26 -4.24 113.62 115.67 1xee n SER 104 Ca -0.16 -0.37 -0.36 0.00 1.01 0.00 0.00 58.87 58.98 1xee n SER 104 Cb 0.48 -0.13 -0.10 0.00 -1.01 0.00 0.00 64.21 63.46 1xee n SER 104 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1xee s LYS 105 N -2.25 4.03 -0.02 1.43 1.02 -1.26 -5.03 119.74 117.66 1xee s LYS 105 Ca 0.26 -0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.67 1xee s LYS 105 Cb 0.14 -3.51 -0.07 0.00 -0.52 0.00 0.00 37.83 33.87 1xee s LYS 105 CO 0.27 0.05 1.78 -1.12 -0.92 0.00 0.00 175.35 175.41 1xee s SER 106 N 1.08 6.58 -0.01 2.83 0.01 -1.26 -4.54 113.70 118.39 1xee s SER 106 Ca 0.07 2.40 0.22 0.00 1.31 0.00 0.00 55.95 59.95 1xee s SER 106 Cb -0.14 -2.53 -0.25 0.00 0.21 0.00 0.00 66.02 63.31 1xee s SER 106 CO 0.05 -0.98 0.72 -1.20 0.41 0.00 0.00 173.24 172.23 1xee n SER 107 N 7.32 0.50 -3.64 2.44 7.64 0.11 -4.89 113.62 123.09 1xee n SER 107 Ca 0.18 -0.45 -0.12 0.00 1.01 0.00 0.00 58.87 59.50 1xee n SER 107 Cb 0.42 1.44 -0.07 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 -3.26 -0.85 0.01 1.43 5.04 -1.21 -5.01 117.35 113.49 1xee s TYR 108 Ca 0.00 1.95 0.05 0.00 -2.44 0.00 0.00 57.07 56.63 1xee s TYR 108 Cb 0.15 0.36 -0.02 0.00 0.35 0.00 0.00 41.96 42.80 1xee s TYR 108 CO 0.88 -0.41 -0.16 0.54 -1.34 0.00 0.00 175.55 175.06 1xee s VAL 109 N 0.71 1.28 0.16 3.14 0.11 -1.25 -0.00 120.40 124.55 1xee s VAL 109 Ca -0.03 -0.81 0.05 0.00 -2.93 0.00 0.00 61.98 58.27 1xee s VAL 109 Cb -0.05 -1.09 -0.04 0.00 -1.53 0.00 0.00 36.38 33.67 1xee s VAL 109 CO -0.05 0.27 0.13 -0.63 -3.33 0.00 0.00 175.10 171.49 1xee s ILE 110 N -0.52 4.47 -0.15 7.04 1.01 0.63 -4.91 121.20 128.77 1xee s ILE 110 Ca 0.05 -1.09 -0.04 0.00 0.00 0.00 0.00 60.65 59.57 1xee s ILE 110 Cb -0.07 -3.28 0.05 0.00 0.01 0.00 0.00 42.46 39.18 1xee s ILE 110 CO 0.00 -0.11 0.08 0.20 0.00 0.00 0.00 174.94 175.11 1xee s ASN 111 N -3.10 2.15 0.00 3.58 0.01 -1.26 -0.54 114.94 115.78 1xee s ASN 111 Ca 0.31 -0.49 0.00 0.00 -0.71 0.00 0.00 52.86 51.96 1xee s ASN 111 Cb -0.10 -0.24 0.00 0.00 0.41 0.00 0.00 41.25 41.32 1xee s ASN 111 CO 0.23 -0.33 0.00 0.61 -1.51 0.00 0.00 177.10 176.10 1xee n GLY 112 N 5.27 2.08 0.01 0.66 0.00 -0.91 -5.03 105.19 107.27 1xee n GLY 112 Ca -0.06 -1.96 0.14 0.00 0.00 0.00 0.00 46.02 44.14 1xee n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xee n PRO 113 N 0.00 0.24 -2.27 1.61 -0.02 -0.96 -4.87 135.00 128.73 1xee n PRO 113 Ca 0.00 -0.03 -0.40 0.00 -2.02 0.00 0.00 63.50 61.05 1xee n PRO 113 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1xee n PRO 113 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1xee s GLY 114 N -2.77 3.02 -0.11 -1.23 0.00 -0.06 -4.89 107.32 101.27 1xee s GLY 114 Ca 0.21 1.10 0.13 0.00 0.00 0.00 0.00 44.72 46.16 1xee s GLY 114 CO 0.51 1.72 0.11 0.28 0.00 0.00 0.00 173.10 175.72 1xee n LYS 115 N 0.92 1.46 -3.91 2.90 5.02 -1.26 -4.64 118.16 118.65 1xee n LYS 115 Ca -0.00 -0.03 -0.11 0.00 -2.02 0.00 0.00 58.31 56.15 1xee n LYS 115 Cb 0.43 -1.36 -0.12 0.00 -0.02 0.00 0.00 35.03 33.97 1xee n LYS 115 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1xee s THR 116 N -2.48 0.07 -0.21 -0.18 -1.32 -1.26 -5.04 115.64 105.21 1xee s THR 116 Ca -0.07 -0.55 0.20 0.00 -1.21 0.00 0.00 61.69 60.07 1xee s THR 116 Cb 0.05 -0.24 -0.01 0.00 -1.51 0.00 0.00 72.50 70.80 1xee s THR 116 CO 0.58 -0.30 1.07 -1.13 -2.21 0.00 0.00 174.62 172.63 1xee h ASN 117 N 5.06 0.00 -3.29 8.08 -0.00 -1.93 -3.19 115.58 120.31 1xee h ASN 117 Ca -0.29 0.00 -0.62 0.00 -0.00 0.00 0.00 56.30 55.39 1xee h ASN 117 Cb 1.21 0.00 -0.17 0.00 -0.00 0.00 0.00 38.32 39.35 1xee h ASN 117 CO 0.43 0.25 -0.59 -1.83 -0.00 0.00 0.00 177.43 175.69 1xee s GLU 118 N -3.15 3.87 0.19 6.67 -1.05 -1.26 -3.79 118.70 120.18 1xee s GLU 118 Ca -0.00 -0.39 0.00 0.00 -0.15 0.00 0.00 54.97 54.43 1xee s GLU 118 Cb 0.09 -3.12 0.00 0.00 -0.44 0.00 0.00 34.13 30.65 1xee s GLU 118 CO 0.78 0.28 0.00 0.66 0.95 0.00 0.00 175.26 177.93 1xee n TYR 119 N 3.49 -1.36 -1.98 4.83 4.02 0.20 -4.52 117.16 121.83 1xee n TYR 119 Ca -0.17 0.72 -0.17 0.00 -0.01 0.00 0.00 57.90 58.28 1xee n TYR 119 Cb 0.52 -1.24 0.06 0.00 -0.02 0.00 0.00 39.34 38.66 1xee n TYR 119 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xee n ALA 120 N -2.71 4.61 0.63 -0.72 0.00 -1.26 -0.74 120.51 120.32 1xee n ALA 120 Ca -0.02 -3.63 0.08 0.00 0.00 0.00 0.00 53.44 49.87 1xee n ALA 120 Cb 0.49 -0.36 0.06 0.00 0.00 0.00 0.00 19.45 19.65 1xee n ALA 120 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16