#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 6.68 -2.27 1.20 2.88 -1.26 -4.68 113.62 116.17 1xee n SER 32 Ca 0.00 -3.77 -0.32 0.00 -1.33 0.00 0.00 58.87 53.45 1xee n SER 32 Cb 0.00 -0.77 0.09 0.00 -0.75 0.00 0.00 64.21 62.78 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 -0.86 5.50 3.57 0.46 0.00 -1.26 -4.92 105.19 107.67 1xee n GLY 33 Ca 0.57 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 1xee n GLY 33 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xee s LEU 34 N -3.56 4.17 0.42 0.99 2.34 -1.26 -5.07 118.68 116.70 1xee s LEU 34 Ca 0.61 0.19 0.06 0.00 0.06 0.00 0.00 54.13 55.05 1xee s LEU 34 Cb 0.48 -3.00 0.01 0.00 -0.56 0.00 0.00 46.19 43.12 1xee s LEU 34 CO 0.01 -0.80 0.58 -2.16 -1.06 0.00 0.00 176.35 172.93 1xee s PRO 35 N 3.17 2.86 -0.42 1.48 0.04 -1.26 -5.06 135.00 135.80 1xee s PRO 35 Ca 0.31 -1.09 -0.24 0.00 0.04 0.00 0.00 61.00 60.01 1xee s PRO 35 Cb -0.13 -2.72 0.02 0.00 0.04 0.00 0.00 34.50 31.71 1xee s PRO 35 CO 0.19 -0.27 0.85 -0.08 0.04 0.00 0.00 177.00 177.73 1xee s THR 36 N -2.38 4.60 0.11 1.26 -1.32 -1.26 -5.04 115.64 111.61 1xee s THR 36 Ca 0.53 0.75 0.02 0.00 -1.21 0.00 0.00 61.69 61.78 1xee s THR 36 Cb -0.10 -4.33 -0.04 0.00 -1.51 0.00 0.00 72.50 66.52 1xee s THR 36 CO 0.34 -0.66 0.19 0.42 -2.21 0.00 0.00 174.62 172.69 1xee s THR 37 N 3.43 5.02 0.27 5.08 -4.23 -1.26 -0.36 115.64 123.58 1xee s THR 37 Ca 0.34 -0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 60.15 1xee s THR 37 Cb -0.12 -3.50 0.27 0.00 1.34 0.00 0.00 72.50 70.49 1xee s THR 37 CO 0.22 0.03 1.86 0.25 -0.54 0.00 0.00 174.62 176.43 1xee h LEU 38 N 2.75 0.96 -2.03 4.79 5.85 0.04 0.35 115.31 128.01 1xee h LEU 38 Ca -0.47 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.33 1xee h LEU 38 Cb 1.18 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1xee h LEU 38 CO 0.69 0.57 0.13 1.23 -0.34 0.00 0.00 178.44 180.72 1xee h GLY 39 N 1.07 0.00 1.06 3.75 0.00 -0.66 0.25 103.07 108.53 1xee h GLY 39 Ca 0.45 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.46 1xee h GLY 39 CO -0.21 0.00 -1.66 1.70 0.00 0.00 0.00 176.54 176.37 1xee h LYS 40 N 0.00 0.21 -0.10 4.80 1.63 -1.34 -2.20 116.57 119.56 1xee h LYS 40 Ca 0.08 -0.35 -0.02 0.00 -0.85 0.00 0.00 60.65 59.51 1xee h LYS 40 Cb 0.34 0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1xee h LYS 40 CO -0.00 1.02 -0.02 1.25 -3.45 0.00 0.00 179.45 178.25 1xee h LEU 41 N 0.06 0.19 -0.09 5.20 7.12 -0.80 -1.95 115.31 125.04 1xee h LEU 41 Ca -0.29 -0.36 0.04 0.00 0.13 0.00 0.00 57.88 57.40 1xee h LEU 41 Cb 2.02 -0.05 -0.06 0.00 -0.53 0.00 0.00 40.66 42.03 1xee h LEU 41 CO 0.13 0.51 -0.40 -0.78 -0.13 0.00 0.00 178.44 177.77 1xee h ASP 42 N -0.13 -1.25 -0.90 1.25 3.58 -0.57 -0.08 116.42 118.33 1xee h ASP 42 Ca 0.03 0.16 0.22 0.00 0.42 0.00 0.00 57.03 57.86 1xee h ASP 42 Cb 0.43 0.50 -0.13 0.00 1.72 0.00 0.00 39.33 41.85 1xee h ASP 42 CO 0.01 -0.43 0.40 -0.08 -2.88 0.00 0.00 179.24 176.26 1xee h GLU 43 N -0.50 0.39 -0.18 0.28 4.57 -1.39 -0.27 114.58 117.47 1xee h GLU 43 Ca 0.07 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.11 1xee h GLU 43 Cb 0.62 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1xee h GLU 43 CO -0.36 0.26 -0.38 -0.09 -1.18 0.00 0.00 179.01 177.25 1xee h ARG 44 N 0.40 0.38 -0.06 1.92 2.43 -0.57 -2.19 114.38 116.69 1xee h ARG 44 Ca 0.57 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.51 1xee h ARG 44 Cb 1.08 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1xee h ARG 44 CO -0.53 0.71 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.41 1xee h LEU 45 N 0.32 0.25 -0.71 3.80 3.38 -0.10 -2.60 115.31 119.65 1xee h LEU 45 Ca 0.03 -0.59 -0.06 0.00 0.09 0.00 0.00 57.88 57.35 1xee h LEU 45 Cb 0.81 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1xee h LEU 45 CO 0.07 0.79 0.19 0.03 0.09 0.00 0.00 178.44 179.61 1xee h ARG 46 N -0.29 1.12 -0.73 1.13 3.08 -0.95 -1.93 114.38 115.82 1xee h ARG 46 Ca -0.00 -0.26 0.12 0.00 0.07 0.00 0.00 59.98 59.91 1xee h ARG 46 Cb 0.76 -0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.57 1xee h ARG 46 CO 0.03 0.98 0.32 -0.91 -1.07 0.00 0.00 179.97 179.32 1xee h ASN 47 N 1.06 0.35 -0.88 7.04 2.35 -1.33 -2.75 115.58 121.43 1xee h ASN 47 Ca 0.22 0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 56.03 1xee h ASN 47 Cb 0.35 0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 1xee h ASN 47 CO -0.00 0.17 0.44 1.88 -1.65 0.00 0.00 177.43 178.27 1xee h TYR 48 N 0.51 1.24 0.51 1.19 0.05 -0.96 -2.91 116.97 116.59 1xee h TYR 48 Ca 0.38 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 59.10 1xee h TYR 48 Cb 0.51 -0.39 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1xee h TYR 48 CO -0.14 0.88 -0.46 -0.07 -1.05 0.00 0.00 178.16 177.32 1xee h LEU 49 N 1.24 -1.24 -1.53 3.88 3.38 -1.17 -3.16 115.31 116.71 1xee h LEU 49 Ca 0.30 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.33 1xee h LEU 49 Cb 0.09 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1xee h LEU 49 CO -0.04 -0.63 -0.19 0.11 0.09 0.00 0.00 178.44 177.77 1xee h LYS 50 N -0.96 0.00 -0.11 1.13 1.57 -1.56 0.24 116.57 116.88 1xee h LYS 50 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1xee h LYS 50 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1xee h LYS 50 CO -0.04 0.19 0.00 0.36 -0.57 0.00 0.00 179.45 179.39 1xee n LYS 51 N -3.56 1.25 0.07 3.15 2.85 -1.10 -4.53 118.16 116.29 1xee n LYS 51 Ca -0.01 -0.39 0.00 0.00 -1.05 0.00 0.00 58.31 56.86 1xee n LYS 51 Cb 0.33 -1.10 0.00 0.00 -0.65 0.00 0.00 35.03 33.62 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 0.69 -0.20 3.27 2.58 0.00 -0.78 -5.08 105.19 105.67 1xee n GLY 52 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.53 2.10 0.25 2.61 -1.32 0.78 -5.00 115.64 113.54 1xee s THR 53 Ca 0.00 -1.05 0.36 0.00 -1.21 0.00 0.00 61.69 59.79 1xee s THR 53 Cb 0.00 -1.76 0.40 0.00 -1.51 0.00 0.00 72.50 69.63 1xee s THR 53 CO 0.00 0.57 2.09 0.07 -2.21 0.00 0.00 174.62 175.14 1xee h LYS 54 N 6.07 0.00 -3.40 7.08 2.10 -1.88 -3.36 116.57 123.18 1xee h LYS 54 Ca -0.32 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.30 1xee h LYS 54 Cb 1.18 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1xee h LYS 54 CO 0.47 0.00 0.82 0.09 -2.00 0.00 0.00 179.45 178.84 1xee n ASN 55 N -3.10 0.58 -0.04 7.07 3.02 -1.26 -4.55 115.26 116.98 1xee n ASN 55 Ca -0.00 -1.81 0.01 0.00 -0.03 0.00 0.00 54.58 52.75 1xee n ASN 55 Cb 0.25 -0.35 -0.13 0.00 -0.61 0.00 0.00 39.78 38.94 1xee n ASN 55 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xee n SER 56 N 3.90 1.15 -0.62 6.41 3.41 -1.26 -2.50 113.62 124.10 1xee n SER 56 Ca 0.05 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.73 1xee n SER 56 Cb 0.05 1.37 0.21 0.00 -0.26 0.00 0.00 64.21 65.58 1xee n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xee n ALA 57 N -2.31 2.46 -0.05 7.33 0.00 -1.26 -3.83 120.51 122.85 1xee n ALA 57 Ca -0.13 -0.59 -0.00 0.00 0.00 0.00 0.00 53.44 52.71 1xee n ALA 57 Cb 0.70 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.99 1xee n ALA 57 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1xee n GLN 58 N 0.47 0.77 -3.23 0.00 -0.06 -1.04 -4.86 117.38 109.43 1xee n GLN 58 Ca 0.13 -0.09 -0.39 0.00 -2.00 0.00 0.00 57.00 54.65 1xee n GLN 58 Cb 0.30 -1.49 -0.06 0.00 -4.06 0.00 0.00 30.24 24.94 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 -2.90 3.70 -0.17 3.69 0.08 -1.24 -1.03 117.98 120.11 1xee s PHE 59 Ca -0.08 1.19 0.10 0.00 0.12 0.00 0.00 56.93 58.26 1xee s PHE 59 Cb 0.09 -2.58 -0.17 0.00 -0.57 0.00 0.00 43.02 39.79 1xee s PHE 59 CO 0.81 0.39 -0.02 -1.91 -0.10 0.00 0.00 175.22 174.39 1xee n GLU 60 N 2.58 1.17 -3.59 0.44 2.13 0.62 -4.67 120.64 119.32 1xee n GLU 60 Ca -0.08 0.03 -0.16 0.00 0.66 0.00 0.00 57.16 57.61 1xee n GLU 60 Cb 0.51 -1.40 -0.07 0.00 0.27 0.00 0.00 31.44 30.75 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 -2.38 0.93 -0.03 5.31 0.00 -1.10 -1.81 119.74 120.65 1xee s LYS 61 Ca -0.14 0.48 0.06 0.00 0.00 0.00 0.00 55.97 56.38 1xee s LYS 61 Cb 0.05 0.44 -0.01 0.00 0.00 0.00 0.00 37.83 38.31 1xee s LYS 61 CO 0.58 -0.23 -0.22 0.00 0.00 0.00 0.00 175.35 175.49 1xee s MET 62 N -0.61 1.88 -0.26 1.78 0.23 0.49 0.12 119.30 122.93 1xee s MET 62 Ca -0.07 -0.77 -0.01 0.00 -1.03 0.00 0.00 55.69 53.81 1xee s MET 62 Cb -0.02 -1.75 0.04 0.00 -1.53 0.00 0.00 34.83 31.57 1xee s MET 62 CO 0.06 0.42 -0.06 0.08 -2.03 0.00 0.00 175.02 173.50 1xee s VAL 63 N -0.38 2.74 -0.26 5.16 1.01 0.11 -0.61 120.40 128.18 1xee s VAL 63 Ca 0.05 -1.25 -0.15 0.00 0.00 0.00 0.00 61.98 60.63 1xee s VAL 63 Cb -0.10 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1xee s VAL 63 CO 0.00 0.07 0.38 -0.63 0.00 0.00 0.00 175.10 174.93 1xee s ILE 64 N 1.26 5.18 -0.28 2.22 1.09 0.45 -0.56 121.20 130.55 1xee s ILE 64 Ca -0.03 0.61 -0.03 0.00 -1.10 0.00 0.00 60.65 60.09 1xee s ILE 64 Cb -0.18 -3.71 0.03 0.00 -1.06 0.00 0.00 42.46 37.54 1xee s ILE 64 CO -0.04 0.17 0.01 -0.76 -0.10 0.00 0.00 174.94 174.22 1xee s LEU 65 N 1.93 3.66 0.53 2.97 1.43 0.20 -1.35 118.68 128.04 1xee s LEU 65 Ca 0.16 -0.97 0.06 0.00 -1.03 0.00 0.00 54.13 52.34 1xee s LEU 65 Cb -0.16 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.35 1xee s LEU 65 CO 0.09 -0.20 0.39 0.42 0.23 0.00 0.00 176.35 177.29 1xee s THR 66 N 1.35 1.76 0.64 5.49 -4.23 -0.43 -0.12 115.64 120.10 1xee s THR 66 Ca -0.01 -1.49 -0.16 0.00 -1.18 0.00 0.00 61.69 58.85 1xee s THR 66 Cb -0.18 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 1xee s THR 66 CO -0.01 0.00 1.14 -1.61 -0.54 0.00 0.00 174.62 173.60 1xee s GLU 67 N -4.25 2.82 1.75 3.99 2.02 -0.46 -4.19 118.70 120.38 1xee s GLU 67 Ca 0.36 1.56 0.00 0.00 0.02 0.00 0.00 54.97 56.90 1xee s GLU 67 Cb -0.02 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.27 1xee s GLU 67 CO 0.22 -1.27 0.00 0.09 0.02 0.00 0.00 175.26 174.32 1xee n ASN 68 N -2.13 -3.79 -3.43 -0.19 3.02 0.46 -3.05 115.26 106.14 1xee n ASN 68 Ca 0.12 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.54 1xee n ASN 68 Cb 0.51 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.65 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 -1.20 0.00 -3.93 3.52 5.02 -1.26 -4.40 118.16 115.90 1xee n LYS 69 Ca 0.00 -0.43 -0.32 0.00 -2.02 0.00 0.00 58.31 55.54 1xee n LYS 69 Cb 0.00 -1.73 -0.14 0.00 -0.02 0.00 0.00 35.03 33.14 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 4.29 2.18 -0.26 0.72 0.00 -1.23 -4.85 107.32 108.17 1xee s GLY 70 Ca 0.19 -2.86 0.02 0.00 0.00 0.00 0.00 44.72 42.06 1xee s GLY 70 CO 0.09 0.99 -0.06 -0.47 0.00 0.00 0.00 173.10 173.66 1xee s TYR 71 N 0.43 2.91 -0.04 1.90 6.14 -1.26 -1.32 117.35 126.11 1xee s TYR 71 Ca 0.13 -2.16 0.03 0.00 0.64 0.00 0.00 57.07 55.71 1xee s TYR 71 Cb -0.22 -1.91 0.01 0.00 0.42 0.00 0.00 41.96 40.25 1xee s TYR 71 CO -0.04 -0.85 -0.11 0.71 0.64 0.00 0.00 175.55 175.90 1xee s TYR 72 N 1.22 1.24 -0.09 4.97 2.02 -0.46 -5.00 117.35 121.25 1xee s TYR 72 Ca -0.04 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.31 1xee s TYR 72 Cb -0.19 -0.90 -0.00 0.00 -0.40 0.00 0.00 41.96 40.46 1xee s TYR 72 CO -0.07 -0.18 -0.23 -0.08 -1.57 0.00 0.00 175.55 173.42 1xee s THR 73 N 0.41 2.20 -0.07 -0.71 -1.32 -1.26 -0.41 115.64 114.48 1xee s THR 73 Ca -0.08 -0.98 -0.00 0.00 -1.21 0.00 0.00 61.69 59.41 1xee s THR 73 Cb -0.12 -1.84 0.02 0.00 -1.51 0.00 0.00 72.50 69.05 1xee s THR 73 CO 0.02 0.56 -0.04 -0.69 -2.21 0.00 0.00 174.62 172.26 1xee s VAL 74 N 0.19 0.63 -0.78 5.08 1.01 0.22 -4.96 120.40 121.78 1xee s VAL 74 Ca -0.14 -0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 1xee s VAL 74 Cb -0.17 -0.69 0.14 0.00 0.00 0.00 0.00 36.38 35.66 1xee s VAL 74 CO 0.07 0.28 0.90 -0.31 0.00 0.00 0.00 175.10 176.04 1xee s TYR 75 N 1.49 3.21 0.00 5.22 1.51 -1.26 -0.38 117.35 127.14 1xee s TYR 75 Ca -0.01 -1.35 0.00 0.00 -1.01 0.00 0.00 57.07 54.70 1xee s TYR 75 Cb -0.13 -4.09 0.00 0.00 -0.11 0.00 0.00 41.96 37.63 1xee s TYR 75 CO -0.04 -1.32 0.00 1.28 -1.11 0.00 0.00 175.55 174.36 1xee n LEU 76 N 5.94 0.00 0.07 -1.29 4.77 -0.75 -1.10 117.00 124.64 1xee n LEU 76 Ca 0.09 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.99 1xee n LEU 76 Cb 0.46 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.60 1xee n LEU 76 CO 0.50 0.00 0.37 -1.13 -1.33 0.00 0.00 177.39 175.79 1xee h ASN 77 N 0.00 0.36 -4.24 -1.43 -1.24 -1.83 -3.44 115.58 103.76 1xee h ASN 77 Ca 0.00 -0.24 -0.69 0.00 0.71 0.00 0.00 56.30 56.08 1xee h ASN 77 Cb 0.00 -0.11 -0.30 0.00 0.73 0.00 0.00 38.32 38.65 1xee h ASN 77 CO 0.00 0.96 -0.87 0.42 -1.29 0.00 0.00 177.43 176.66 1xee s THR 78 N -3.56 2.22 0.11 -3.57 -4.23 -0.26 -5.12 115.64 101.23 1xee s THR 78 Ca -0.04 -1.03 -0.31 0.00 -1.18 0.00 0.00 61.69 59.13 1xee s THR 78 Cb 0.11 -1.80 -0.09 0.00 1.34 0.00 0.00 72.50 72.06 1xee s THR 78 CO 0.82 0.58 1.61 -2.84 -0.54 0.00 0.00 174.62 174.25 1xee s PRO 79 N -0.40 4.21 -0.31 3.99 0.02 -1.26 -4.67 135.00 136.57 1xee s PRO 79 Ca 0.04 2.33 -0.42 0.00 0.02 0.00 0.00 61.00 62.96 1xee s PRO 79 Cb -0.12 -3.42 -0.18 0.00 0.02 0.00 0.00 34.50 30.81 1xee s PRO 79 CO 0.01 -0.67 1.62 -0.11 -0.33 0.00 0.00 177.00 177.52 1xee n LEU 80 N 4.92 1.75 -4.75 -5.54 7.94 -1.26 -4.92 117.00 115.14 1xee n LEU 80 Ca 0.15 1.13 -0.37 0.00 -1.11 0.00 0.00 56.01 55.80 1xee n LEU 80 Cb 0.40 -1.04 0.04 0.00 0.53 0.00 0.00 43.42 43.36 1xee n LEU 80 CO 0.62 -0.72 0.92 0.00 -1.11 0.00 0.00 177.39 177.10 1xee s ALA 81 N 2.88 2.63 0.62 1.96 0.00 -1.26 -4.65 121.76 123.94 1xee s ALA 81 Ca 0.99 1.20 0.39 0.00 0.00 0.00 0.00 51.96 54.54 1xee s ALA 81 Cb -1.23 -3.53 2.17 0.00 0.00 0.00 0.00 23.12 20.53 1xee s ALA 81 CO 0.70 -1.35 2.32 0.93 0.00 0.00 0.00 175.76 178.35 1xee h GLU 82 N 1.10 0.00 -0.28 0.00 4.39 -1.97 0.30 114.58 118.11 1xee h GLU 82 Ca -0.51 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.02 1xee h GLU 82 Cb 1.31 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1xee h GLU 82 CO 0.56 0.00 -0.48 0.22 -1.16 0.00 0.00 179.01 178.15 1xee h ASP 83 N 0.00 0.91 0.04 1.42 3.58 -1.99 -1.79 116.42 118.59 1xee h ASP 83 Ca -0.00 -0.53 0.00 0.00 0.42 0.00 0.00 57.03 56.92 1xee h ASP 83 Cb 0.03 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.82 1xee h ASP 83 CO 0.00 1.26 -1.49 0.54 -2.88 0.00 0.00 179.24 176.67 1xee n ARG 84 N -4.08 0.35 0.03 0.28 1.74 -0.71 -4.34 116.66 109.93 1xee n ARG 84 Ca -0.04 -0.10 -0.19 0.00 -0.77 0.00 0.00 57.85 56.75 1xee n ARG 84 Cb 0.59 -1.52 -0.11 0.00 -1.02 0.00 0.00 32.46 30.40 1xee n ARG 84 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1xee h LYS 85 N 0.00 0.60 -0.25 5.56 2.10 -0.05 -2.46 116.57 122.08 1xee h LYS 85 Ca 0.00 -0.65 0.00 0.00 -2.00 0.00 0.00 60.65 58.00 1xee h LYS 85 Cb 0.77 0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 1xee h LYS 85 CO 0.00 1.25 0.00 -1.71 -2.00 0.00 0.00 179.45 176.99 1xee n ASN 86 N -3.98 0.25 -4.49 7.07 5.15 -0.71 -0.08 115.26 118.47 1xee n ASN 86 Ca -0.11 -0.58 -0.34 0.00 -0.60 0.00 0.00 54.58 52.96 1xee n ASN 86 Cb 0.81 -0.12 -0.12 0.00 -0.53 0.00 0.00 39.78 39.81 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 -1.14 3.90 0.08 3.44 1.01 -0.92 -4.85 120.40 121.92 1xee s VAL 87 Ca 0.00 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 1xee s VAL 87 Cb 0.00 -2.72 -0.07 0.00 0.00 0.00 0.00 36.38 33.60 1xee s VAL 87 CO 0.00 0.48 0.70 -1.61 0.00 0.00 0.00 175.10 174.67 1xee s GLU 88 N 0.47 4.43 0.05 2.72 8.01 -1.26 0.45 118.70 133.58 1xee s GLU 88 Ca -0.03 0.97 -0.31 0.00 0.01 0.00 0.00 54.97 55.62 1xee s GLU 88 Cb -0.14 -3.30 -0.07 0.00 -4.31 0.00 0.00 34.13 26.30 1xee s GLU 88 CO 0.03 0.47 1.57 -0.51 0.01 0.00 0.00 175.26 176.82 1xee s LEU 89 N -0.65 4.35 0.30 1.80 1.43 0.51 -4.83 118.68 121.59 1xee s LEU 89 Ca 0.34 2.37 0.02 0.00 -1.03 0.00 0.00 54.13 55.83 1xee s LEU 89 Cb -0.21 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.54 1xee s LEU 89 CO 0.22 -0.83 0.80 0.18 0.23 0.00 0.00 176.35 176.95 1xee n LEU 90 N 5.45 0.04 0.00 1.79 7.99 -1.26 -4.89 117.00 126.12 1xee n LEU 90 Ca 0.15 0.27 0.00 0.00 -0.01 0.00 0.00 56.01 56.42 1xee n LEU 90 Cb 0.41 -0.07 0.00 0.00 -0.11 0.00 0.00 43.42 43.66 1xee n LEU 90 CO 0.61 -0.28 0.00 0.61 -1.51 0.00 0.00 177.39 176.82 1xee n GLY 91 N -1.23 -1.42 3.77 -0.72 0.00 -1.17 -4.37 105.19 100.05 1xee n GLY 91 Ca -0.00 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.07 4.37 -0.06 1.61 1.02 -1.26 -4.40 119.74 119.95 1xee s LYS 92 Ca 0.00 1.79 -0.29 0.00 0.02 0.00 0.00 55.97 57.48 1xee s LYS 92 Cb 0.00 -2.91 -0.07 0.00 -0.52 0.00 0.00 37.83 34.33 1xee s LYS 92 CO 0.00 -0.03 1.94 1.41 -0.92 0.00 0.00 175.35 177.75 1xee s MET 93 N -1.91 3.90 -0.17 1.68 -2.45 -1.26 -1.35 119.30 117.73 1xee s MET 93 Ca 0.51 2.33 -0.22 0.00 -1.25 0.00 0.00 55.69 57.06 1xee s MET 93 Cb -0.30 -4.17 -0.19 0.00 1.25 0.00 0.00 34.83 31.42 1xee s MET 93 CO 0.39 -1.22 0.37 -0.92 1.05 0.00 0.00 175.02 174.69 1xee h TYR 94 N 11.40 0.00 -2.62 4.11 3.20 -0.80 0.07 116.97 132.33 1xee h TYR 94 Ca -0.45 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.32 1xee h TYR 94 Cb 1.22 0.00 -0.22 0.00 1.54 0.00 0.00 36.73 39.27 1xee h TYR 94 CO 0.94 1.12 -0.14 0.15 -1.64 0.00 0.00 178.16 178.59 1xee s LYS 95 N -2.26 0.64 -0.19 1.82 1.02 -0.75 -2.59 119.74 117.44 1xee s LYS 95 Ca -0.23 0.42 0.01 0.00 0.02 0.00 0.00 55.97 56.19 1xee s LYS 95 Cb 0.02 0.30 0.04 0.00 -0.52 0.00 0.00 37.83 37.67 1xee s LYS 95 CO 0.57 -0.12 -0.10 0.99 -0.92 0.00 0.00 175.35 175.76 1xee s THR 96 N -0.28 1.53 -0.25 2.17 2.01 0.98 -0.63 115.64 121.16 1xee s THR 96 Ca -0.04 -0.89 -0.08 0.00 0.31 0.00 0.00 61.69 60.99 1xee s THR 96 Cb -0.03 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 1xee s THR 96 CO 0.03 0.20 0.10 -0.31 -0.69 0.00 0.00 174.62 173.95 1xee s TYR 97 N 1.45 3.14 -0.24 4.92 2.02 0.28 -0.45 117.35 128.47 1xee s TYR 97 Ca -0.00 -0.20 -0.07 0.00 -0.37 0.00 0.00 57.07 56.42 1xee s TYR 97 Cb -0.16 -2.26 -0.03 0.00 -0.40 0.00 0.00 41.96 39.12 1xee s TYR 97 CO -0.08 -0.23 0.07 -0.06 -1.57 0.00 0.00 175.55 173.67 1xee s PHE 98 N 1.49 3.11 -0.26 2.71 0.40 0.12 0.08 117.98 125.63 1xee s PHE 98 Ca 0.06 -0.31 -0.07 0.00 -0.60 0.00 0.00 56.93 56.01 1xee s PHE 98 Cb -0.15 -2.21 -0.02 0.00 0.51 0.00 0.00 43.02 41.15 1xee s PHE 98 CO 0.05 -0.26 0.06 -0.06 0.70 0.00 0.00 175.22 175.72 1xee s PHE 99 N 1.38 3.09 0.78 0.36 0.08 0.12 -1.24 117.98 122.55 1xee s PHE 99 Ca 0.05 -0.60 -0.14 0.00 0.12 0.00 0.00 56.93 56.37 1xee s PHE 99 Cb -0.15 -2.23 0.06 0.00 -0.57 0.00 0.00 43.02 40.13 1xee s PHE 99 CO 0.04 -0.43 1.22 0.15 -0.10 0.00 0.00 175.22 176.10 1xee s LYS 100 N 1.58 1.82 -1.32 0.44 1.02 -1.26 -0.28 119.74 121.74 1xee s LYS 100 Ca 0.06 1.80 -0.16 0.00 0.02 0.00 0.00 55.97 57.69 1xee s LYS 100 Cb -0.15 -1.79 0.08 0.00 -0.52 0.00 0.00 37.83 35.44 1xee s LYS 100 CO 0.03 -2.09 1.82 0.36 -0.92 0.00 0.00 175.35 174.54 1xee n LYS 101 N -3.04 3.16 0.00 1.68 2.85 -0.20 -1.56 118.16 121.06 1xee n LYS 101 Ca 0.14 -3.21 0.00 0.00 -1.05 0.00 0.00 58.31 54.18 1xee n LYS 101 Cb 0.50 -3.37 0.00 0.00 -0.65 0.00 0.00 35.03 31.51 1xee n LYS 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1xee n GLY 102 N 4.83 0.15 3.61 2.58 0.00 -1.26 -5.02 105.19 110.08 1xee n GLY 102 Ca 0.48 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.15 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 3.35 0.00 1.61 0.41 -0.60 -4.98 118.70 118.49 1xee s GLU 103 Ca 0.00 -0.44 0.13 0.00 -0.41 0.00 0.00 54.97 54.25 1xee s GLU 103 Cb 0.00 -2.89 0.41 0.00 -1.78 0.00 0.00 34.13 29.87 1xee s GLU 103 CO 0.00 0.49 1.33 0.43 -0.49 0.00 0.00 175.26 177.02 1xee n SER 104 N 2.81 2.01 -4.55 -0.19 7.64 -1.26 -4.38 113.62 115.69 1xee n SER 104 Ca -0.18 -1.95 -0.32 0.00 1.01 0.00 0.00 58.87 57.44 1xee n SER 104 Cb 0.53 -0.23 -0.11 0.00 -1.01 0.00 0.00 64.21 63.39 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 -1.54 2.40 -0.27 1.43 1.02 -1.26 -5.10 119.74 116.42 1xee s LYS 105 Ca 0.27 -0.81 -0.29 0.00 0.02 0.00 0.00 55.97 55.16 1xee s LYS 105 Cb 0.14 -2.40 -0.01 0.00 -0.52 0.00 0.00 37.83 35.04 1xee s LYS 105 CO 0.19 0.58 1.50 -1.54 -0.92 0.00 0.00 175.35 175.16 1xee s SER 106 N -1.45 6.46 0.04 2.83 1.04 -1.26 -4.27 113.70 117.09 1xee s SER 106 Ca 0.17 1.40 0.22 0.00 0.48 0.00 0.00 55.95 58.22 1xee s SER 106 Cb -0.11 -2.54 -0.21 0.00 0.10 0.00 0.00 66.02 63.27 1xee s SER 106 CO 0.07 -1.23 0.70 -0.24 0.98 0.00 0.00 173.24 173.52 1xee n SER 107 N 8.26 0.32 -3.75 7.02 2.88 -0.37 -4.82 113.62 123.16 1xee n SER 107 Ca 0.17 0.02 -0.14 0.00 -1.33 0.00 0.00 58.87 57.60 1xee n SER 107 Cb 0.46 1.44 -0.14 0.00 -0.75 0.00 0.00 64.21 65.21 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 -3.43 -0.16 -0.08 0.66 5.04 -1.18 -5.03 117.35 113.17 1xee s TYR 108 Ca -0.04 0.47 0.03 0.00 -2.44 0.00 0.00 57.07 55.08 1xee s TYR 108 Cb 0.13 -0.08 0.01 0.00 0.35 0.00 0.00 41.96 42.36 1xee s TYR 108 CO 0.87 -0.16 -0.16 0.54 -1.34 0.00 0.00 175.55 175.30 1xee s VAL 109 N 1.14 1.43 -0.23 3.14 0.11 -1.26 0.10 120.40 124.84 1xee s VAL 109 Ca -0.09 -0.65 -0.09 0.00 -2.93 0.00 0.00 61.98 58.22 1xee s VAL 109 Cb -0.11 -1.28 -0.04 0.00 -1.53 0.00 0.00 36.38 33.41 1xee s VAL 109 CO -0.06 0.42 0.11 -0.63 -3.33 0.00 0.00 175.10 171.62 1xee s ILE 110 N 0.60 4.95 -0.05 7.04 1.01 0.40 -4.92 121.20 130.23 1xee s ILE 110 Ca -0.15 0.04 -0.16 0.00 0.00 0.00 0.00 60.65 60.38 1xee s ILE 110 Cb -0.16 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 1xee s ILE 110 CO 0.05 0.37 0.42 0.20 0.00 0.00 0.00 174.94 175.98 1xee s ASN 111 N 1.01 6.74 0.52 3.58 -0.87 -1.26 -0.01 114.94 124.64 1xee s ASN 111 Ca 0.06 0.88 0.03 0.00 -1.57 0.00 0.00 52.86 52.26 1xee s ASN 111 Cb -0.14 -2.26 0.01 0.00 -0.02 0.00 0.00 41.25 38.84 1xee s ASN 111 CO 0.04 0.20 0.19 -0.83 -2.57 0.00 0.00 177.10 174.13 1xee s GLY 112 N -0.39 2.70 0.00 0.66 0.00 -1.07 -5.01 107.32 104.21 1xee s GLY 112 Ca 0.24 -0.87 0.32 0.00 0.00 0.00 0.00 44.72 44.40 1xee s GLY 112 CO 0.12 -2.07 2.19 -1.05 0.00 0.00 0.00 173.10 172.29 1xee n PRO 113 N -1.48 0.93 -1.25 2.90 -0.02 -1.12 -4.71 135.00 130.24 1xee n PRO 113 Ca -0.10 0.00 -0.47 0.00 -2.02 0.00 0.00 63.50 60.91 1xee n PRO 113 Cb 0.66 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.58 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 1.01 -0.72 0.09 -1.23 0.00 -0.00 -4.91 105.19 99.42 1xee n GLY 114 Ca 0.23 0.51 -0.07 0.00 0.00 0.00 0.00 46.02 46.69 1xee n GLY 114 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xee n LYS 115 N 1.12 0.68 -3.90 1.61 5.02 -1.26 -4.70 118.16 116.73 1xee n LYS 115 Ca 0.16 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.36 1xee n LYS 115 Cb 0.12 -1.56 -0.07 0.00 -0.02 0.00 0.00 35.03 33.51 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 -2.65 0.09 -2.34 -0.18 -1.32 -1.26 -5.02 115.64 102.95 1xee s THR 116 Ca -0.09 -1.24 0.20 0.00 -1.21 0.00 0.00 61.69 59.35 1xee s THR 116 Cb 0.07 -1.64 0.24 0.00 -1.51 0.00 0.00 72.50 69.66 1xee s THR 116 CO 0.84 -0.39 1.20 -3.20 -2.21 0.00 0.00 174.62 170.86 1xee n ASN 117 N -0.18 2.87 -2.62 8.08 4.05 -1.26 -2.95 115.26 123.26 1xee n ASN 117 Ca -0.10 -1.87 -0.05 0.00 0.45 0.00 0.00 54.58 53.01 1xee n ASN 117 Cb 0.63 -0.08 0.02 0.00 1.23 0.00 0.00 39.78 41.58 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 1.17 0.64 -1.64 1.20 -0.58 -1.26 -4.52 120.64 115.65 1xee n GLU 118 Ca 0.14 -0.66 -0.40 0.00 -0.42 0.00 0.00 57.16 55.81 1xee n GLU 118 Cb 0.51 -0.11 0.03 0.00 -0.57 0.00 0.00 31.44 31.30 1xee n GLU 118 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1xee n TYR 119 N -1.55 1.33 -4.17 -0.32 4.01 -1.26 -0.41 117.16 114.79 1xee n TYR 119 Ca 0.04 0.50 -0.17 0.00 -0.16 0.00 0.00 57.90 58.11 1xee n TYR 119 Cb 0.14 -2.24 -0.11 0.00 -0.31 0.00 0.00 39.34 36.81 1xee n TYR 119 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xee s ALA 120 N -1.34 1.13 -2.00 -0.72 0.00 -1.26 -4.70 121.76 112.88 1xee s ALA 120 Ca 0.67 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1xee s ALA 120 Cb -0.49 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.60 1xee s ALA 120 CO 0.54 0.08 0.51 2.48 0.00 0.00 0.00 175.76 179.37