#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w9p s ILE 5 N 0.00 3.86 -0.12 -0.61 1.01 -1.26 -4.73 121.20 119.35 2w9p s ILE 5 Ca 0.00 1.04 -0.04 0.00 0.00 0.00 0.00 60.65 61.65 2w9p s ILE 5 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 2w9p s ILE 5 CO 0.00 -0.09 0.04 0.68 0.00 0.00 0.00 174.94 175.57 2w9p s VAL 6 N 3.80 4.64 0.03 2.92 -7.23 -0.17 -4.91 120.40 119.46 2w9p s VAL 6 Ca 0.66 -0.11 -0.30 0.00 -1.81 0.00 0.00 61.98 60.41 2w9p s VAL 6 Cb -0.29 -3.00 -0.05 0.00 0.56 0.00 0.00 36.38 33.60 2w9p s VAL 6 CO 0.24 0.57 1.13 0.21 -0.31 0.00 0.00 175.10 176.94 2w9p s ASN 7 N -0.53 7.16 -0.10 4.85 2.47 -1.26 -0.97 114.94 126.56 2w9p s ASN 7 Ca 0.10 1.89 -0.26 0.00 0.42 0.00 0.00 52.86 55.01 2w9p s ASN 7 Cb -0.12 -2.57 -0.03 0.00 -1.45 0.00 0.00 41.25 37.08 2w9p s ASN 7 CO 0.02 -0.42 0.82 -0.69 -3.72 0.00 0.00 177.10 173.11 2w9p s VAL 8 N 1.18 4.93 0.72 -5.21 1.01 -0.15 -4.93 120.40 117.96 2w9p s VAL 8 Ca 0.56 1.66 -0.09 0.00 0.00 0.00 0.00 61.98 64.12 2w9p s VAL 8 Cb -0.26 -4.15 0.06 0.00 0.00 0.00 0.00 36.38 32.03 2w9p s VAL 8 CO 0.28 0.13 1.06 -2.16 0.00 0.00 0.00 175.10 174.41 2w9p s PRO 9 N 1.45 2.25 -1.66 2.72 0.04 -1.26 -4.38 135.00 134.15 2w9p s PRO 9 Ca 0.41 -0.07 -0.10 0.00 0.04 0.00 0.00 61.00 61.28 2w9p s PRO 9 Cb -0.18 -2.10 0.10 0.00 0.04 0.00 0.00 34.50 32.36 2w9p s PRO 9 CO 0.18 -1.28 0.36 0.09 0.04 0.00 0.00 177.00 176.39 2w9p n ASN 10 N -3.01 -0.71 0.00 6.66 3.02 -1.26 -4.79 115.26 115.16 2w9p n ASN 10 Ca 0.08 -1.20 0.10 0.00 -0.03 0.00 0.00 54.58 53.53 2w9p n ASN 10 Cb 0.60 -1.95 0.55 0.00 -0.61 0.00 0.00 39.78 38.36 2w9p n ASN 10 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2w9p n PRO 11 N -4.37 0.43 -0.58 3.52 -0.04 -1.26 -1.11 135.00 131.59 2w9p n PRO 11 Ca -0.12 0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.47 2w9p n PRO 11 Cb 0.59 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.86 2w9p n PRO 11 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2w9p n ASN 12 N -1.18 4.32 -4.58 3.54 5.15 -1.26 -4.66 115.26 116.60 2w9p n ASN 12 Ca 0.12 -2.45 -0.37 0.00 -0.60 0.00 0.00 54.58 51.28 2w9p n ASN 12 Cb 0.13 -0.56 0.07 0.00 -0.53 0.00 0.00 39.78 38.88 2w9p n ASN 12 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2w9p n ASN 13 N 0.88 0.17 -0.24 1.20 3.02 -0.27 -4.61 115.26 115.41 2w9p n ASN 13 Ca 0.23 0.71 0.29 0.00 -0.03 0.00 0.00 54.58 55.78 2w9p n ASN 13 Cb 0.83 -1.35 0.70 0.00 -0.61 0.00 0.00 39.78 39.36 2w9p n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2w9p h THR 14 N 0.05 0.51 0.12 3.41 1.03 -1.93 0.05 112.91 116.16 2w9p h THR 14 Ca -0.47 -0.02 0.01 0.00 -0.01 0.00 0.00 66.41 65.92 2w9p h THR 14 Cb 1.36 0.45 -0.03 0.00 -1.07 0.00 0.00 68.15 68.86 2w9p h THR 14 CO 0.48 0.01 -0.21 0.50 -0.01 0.00 0.00 175.52 176.29 2w9p h LYS 15 N 0.06 -0.39 0.00 0.00 3.64 -1.96 -0.47 116.57 117.46 2w9p h LYS 15 Ca 0.49 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.87 2w9p h LYS 15 Cb 1.82 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.73 2w9p h LYS 15 CO -0.04 -0.26 -0.18 0.74 -2.27 0.00 0.00 179.45 177.44 2w9p h PHE 16 N -0.40 0.00 0.26 1.91 0.05 -1.38 -0.80 116.94 116.58 2w9p h PHE 16 Ca 0.02 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.80 2w9p h PHE 16 Cb 0.41 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.37 2w9p h PHE 16 CO -0.19 0.11 -0.13 1.96 -0.18 0.00 0.00 178.31 179.88 2w9p h GLN 17 N 0.00 -0.34 -0.71 1.51 1.08 -0.88 -0.25 115.11 115.52 2w9p h GLN 17 Ca -0.00 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 2w9p h GLN 17 Cb 1.09 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.56 2w9p h GLN 17 CO 0.01 -0.03 0.38 0.93 -0.95 0.00 0.00 178.83 179.18 2w9p h GLU 18 N -0.67 0.99 -0.42 1.46 5.08 -0.98 -0.05 114.58 119.99 2w9p h GLU 18 Ca -0.04 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 2w9p h GLU 18 Cb 0.47 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2w9p h GLU 18 CO 0.06 0.73 0.11 1.25 -1.00 0.00 0.00 179.01 180.16 2w9p h LEU 19 N 0.99 0.62 -0.97 1.33 5.85 -1.03 -0.73 115.31 121.37 2w9p h LEU 19 Ca 0.25 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2w9p h LEU 19 Cb 0.04 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2w9p h LEU 19 CO -0.04 0.69 0.41 0.00 -0.34 0.00 0.00 178.44 179.16 2w9p h ALA 20 N 0.96 1.20 -0.61 1.25 0.00 -0.61 -0.83 119.26 120.62 2w9p h ALA 20 Ca 0.13 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2w9p h ALA 20 Cb 0.30 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2w9p h ALA 20 CO -0.00 0.62 0.15 0.00 0.00 0.00 0.00 179.25 180.02 2w9p h ARG 21 N 1.14 0.95 -0.32 0.00 3.08 -0.78 -0.56 114.38 117.89 2w9p h ARG 21 Ca 0.28 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 2w9p h ARG 21 Cb 0.08 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2w9p h ARG 21 CO -0.04 0.85 0.07 0.35 -1.07 0.00 0.00 179.97 180.13 2w9p h PHE 22 N 0.91 0.54 -0.67 3.04 3.57 -0.22 -0.40 116.94 123.71 2w9p h PHE 22 Ca 0.20 -0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.70 2w9p h PHE 22 Cb 0.32 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 2w9p h PHE 22 CO 0.02 0.56 0.36 0.00 -2.23 0.00 0.00 178.31 177.02 2w9p h ALA 23 N 0.91 0.91 -0.34 2.41 0.00 -0.65 -0.27 119.26 122.24 2w9p h ALA 23 Ca 0.10 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2w9p h ALA 23 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2w9p h ALA 23 CO 0.00 -0.00 0.13 0.82 0.00 0.00 0.00 179.25 180.21 2w9p h ILE 24 N 0.64 1.19 0.00 0.00 1.08 -1.01 -0.61 117.51 118.80 2w9p h ILE 24 Ca 0.31 -0.57 -0.09 0.00 -0.39 0.00 0.00 64.86 64.13 2w9p h ILE 24 Cb 0.26 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 2w9p h ILE 24 CO -0.22 0.20 -0.42 0.06 -0.69 0.00 0.00 178.15 177.09 2w9p h GLN 25 N 0.40 0.00 0.46 2.37 3.07 -0.29 -0.38 115.11 120.73 2w9p h GLN 25 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.83 2w9p h GLN 25 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.75 2w9p h GLN 25 CO -0.01 0.42 -0.22 0.22 0.09 0.00 0.00 178.83 179.33 2w9p h ASP 26 N 0.00 -0.52 -0.55 0.06 3.58 -0.72 -0.61 116.42 117.67 2w9p h ASP 26 Ca -0.00 -0.03 0.09 0.00 0.42 0.00 0.00 57.03 57.51 2w9p h ASP 26 Cb 0.94 0.13 -0.07 0.00 1.72 0.00 0.00 39.33 42.06 2w9p h ASP 26 CO 0.05 -0.31 0.18 0.22 -2.88 0.00 0.00 179.24 176.50 2w9p h TYR 27 N -0.70 0.30 -0.11 0.28 3.20 -0.85 -0.55 116.97 118.54 2w9p h TYR 27 Ca -0.06 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 2w9p h TYR 27 Cb 0.52 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2w9p h TYR 27 CO -0.02 0.07 0.07 -0.91 -1.64 0.00 0.00 178.16 175.72 2w9p h ASN 28 N 0.34 0.14 -0.72 -2.11 -0.26 -0.97 -0.20 115.58 111.80 2w9p h ASN 28 Ca 0.27 -0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 55.94 2w9p h ASN 28 Cb 0.34 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.53 2w9p h ASN 28 CO -0.30 0.15 0.36 0.50 -1.06 0.00 0.00 177.43 177.08 2w9p h LYS 29 N 0.11 1.03 0.11 0.81 1.63 -0.76 0.00 116.57 119.50 2w9p h LYS 29 Ca 0.04 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 2w9p h LYS 29 Cb 0.04 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.48 2w9p h LYS 29 CO -0.01 0.79 -0.05 0.87 -3.45 0.00 0.00 179.45 177.60 2w9p h LYS 30 N 1.00 -0.14 0.00 1.90 1.57 -0.98 -3.34 116.57 116.58 2w9p h LYS 30 Ca 0.25 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2w9p h LYS 30 Cb 0.09 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2w9p h LYS 30 CO -0.03 -0.10 0.00 0.94 -0.57 0.00 0.00 179.45 179.69 2w9p n GLN 31 N -3.03 0.18 -3.17 3.15 -0.06 -0.10 -4.83 117.38 109.53 2w9p n GLN 31 Ca -0.02 0.16 -0.15 0.00 -2.00 0.00 0.00 57.00 55.00 2w9p n GLN 31 Cb 0.06 -1.50 0.07 0.00 -4.06 0.00 0.00 30.24 24.80 2w9p n GLN 31 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2w9p n ASN 32 N -1.27 -3.09 -4.82 1.69 5.15 -0.18 -5.03 115.26 107.72 2w9p n ASN 32 Ca 0.06 -0.45 -0.30 0.00 -0.60 0.00 0.00 54.58 53.29 2w9p n ASN 32 Cb 0.09 -4.02 -0.05 0.00 -0.53 0.00 0.00 39.78 35.28 2w9p n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2w9p s ALA 33 N -3.27 4.23 -0.39 5.20 0.00 -0.24 -5.03 121.76 122.26 2w9p s ALA 33 Ca 0.14 -0.79 0.09 0.00 0.00 0.00 0.00 51.96 51.41 2w9p s ALA 33 Cb -0.06 -0.30 0.28 0.00 0.00 0.00 0.00 23.12 23.04 2w9p s ALA 33 CO 0.56 -0.20 0.63 0.72 0.00 0.00 0.00 175.76 177.47 2w9p n HIS 34 N -1.47 -0.54 -1.95 0.00 8.25 -1.26 -4.54 115.22 113.71 2w9p n HIS 34 Ca -0.11 -3.44 -0.29 0.00 -0.26 0.00 0.00 57.72 53.61 2w9p n HIS 34 Cb 0.66 -0.15 0.05 0.00 1.12 0.00 0.00 29.99 31.68 2w9p n HIS 34 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2w9p s LEU 35 N -1.55 2.86 -0.09 2.41 1.43 -1.26 -3.94 118.68 118.54 2w9p s LEU 35 Ca 0.36 1.01 -0.04 0.00 -1.03 0.00 0.00 54.13 54.43 2w9p s LEU 35 Cb 0.23 -3.75 0.05 0.00 0.03 0.00 0.00 46.19 42.75 2w9p s LEU 35 CO -0.11 -1.42 0.18 -1.61 0.23 0.00 0.00 176.35 173.62 2w9p s GLU 36 N -5.36 0.08 0.19 1.70 2.02 -0.21 -4.97 118.70 112.15 2w9p s GLU 36 Ca 0.58 0.54 -0.31 0.00 0.02 0.00 0.00 54.97 55.80 2w9p s GLU 36 Cb -0.11 -0.20 -0.10 0.00 0.10 0.00 0.00 34.13 33.82 2w9p s GLU 36 CO 0.50 -0.26 1.52 0.12 0.02 0.00 0.00 175.26 177.17 2w9p s PHE 37 N 1.95 3.06 -0.07 1.61 2.19 -1.26 -0.98 117.98 124.47 2w9p s PHE 37 Ca -0.01 0.77 -0.09 0.00 0.33 0.00 0.00 56.93 57.92 2w9p s PHE 37 Cb -0.12 -3.88 -0.03 0.00 -1.31 0.00 0.00 43.02 37.68 2w9p s PHE 37 CO -0.06 -3.14 -0.18 0.28 1.83 0.00 0.00 175.22 173.95 2w9p n VAL 38 N 3.47 1.06 -3.90 3.12 0.31 -0.20 -4.87 118.33 117.32 2w9p n VAL 38 Ca 0.12 0.25 -0.09 0.00 -0.01 0.00 0.00 64.34 64.61 2w9p n VAL 38 Cb 0.39 -1.92 -0.01 0.00 -0.91 0.00 0.00 33.84 31.39 2w9p n VAL 38 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2w9p s GLU 39 N -2.22 1.94 -0.12 5.55 -1.05 -0.18 -5.01 118.70 117.61 2w9p s GLU 39 Ca -0.15 -1.32 -0.02 0.00 -0.15 0.00 0.00 54.97 53.33 2w9p s GLU 39 Cb 0.02 0.57 -0.03 0.00 -0.44 0.00 0.00 34.13 34.25 2w9p s GLU 39 CO 0.22 -0.87 -0.04 -0.80 0.95 0.00 0.00 175.26 174.72 2w9p s ASN 40 N -3.04 4.79 -0.25 0.83 0.02 -1.26 -0.84 114.94 115.20 2w9p s ASN 40 Ca 0.17 -0.06 -0.00 0.00 -1.02 0.00 0.00 52.86 51.95 2w9p s ASN 40 Cb -0.04 -1.54 -0.18 0.00 0.02 0.00 0.00 41.25 39.51 2w9p s ASN 40 CO 0.11 0.26 -0.18 0.18 0.02 0.00 0.00 177.10 177.49 2w9p n LEU 41 N 2.92 2.87 -3.80 0.60 7.99 -0.06 -4.72 117.00 122.80 2w9p n LEU 41 Ca -0.18 -0.07 -0.13 0.00 -0.01 0.00 0.00 56.01 55.63 2w9p n LEU 41 Cb 0.53 -0.93 -0.12 0.00 -0.11 0.00 0.00 43.42 42.80 2w9p n LEU 41 CO 0.30 0.90 -0.12 0.21 -1.51 0.00 0.00 177.39 177.18 2w9p s ASN 42 N -6.64 -0.22 -0.03 -1.43 3.84 -0.32 -4.92 114.94 105.22 2w9p s ASN 42 Ca -0.34 0.41 0.01 0.00 0.21 0.00 0.00 52.86 53.15 2w9p s ASN 42 Cb 0.09 0.44 0.02 0.00 -0.55 0.00 0.00 41.25 41.25 2w9p s ASN 42 CO 0.61 -0.10 -0.02 -0.69 -2.79 0.00 0.00 177.10 174.10 2w9p s VAL 43 N 0.01 0.33 -0.01 -5.21 1.01 -1.26 -1.00 120.40 114.27 2w9p s VAL 43 Ca -0.01 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 61.98 2w9p s VAL 43 Cb -0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 2w9p s VAL 43 CO 0.00 0.16 -0.17 -0.54 0.00 0.00 0.00 175.10 174.56 2w9p s LYS 44 N 0.74 1.37 -0.01 2.72 1.02 -0.10 -0.97 119.74 124.50 2w9p s LYS 44 Ca -0.08 -0.62 0.06 0.00 0.02 0.00 0.00 55.97 55.34 2w9p s LYS 44 Cb -0.12 -1.33 -0.01 0.00 -0.52 0.00 0.00 37.83 35.85 2w9p s LYS 44 CO -0.01 0.36 -0.18 -1.21 -0.92 0.00 0.00 175.35 173.39 2w9p s GLU 45 N -0.44 1.51 -0.05 1.68 2.02 -0.14 -1.01 118.70 122.26 2w9p s GLU 45 Ca 0.06 -0.66 -0.07 0.00 0.02 0.00 0.00 54.97 54.33 2w9p s GLU 45 Cb -0.07 -1.45 0.01 0.00 0.10 0.00 0.00 34.13 32.72 2w9p s GLU 45 CO -0.01 0.40 0.18 -1.14 0.02 0.00 0.00 175.26 174.71 2w9p s GLN 46 N -0.43 0.29 -0.76 1.61 0.74 -0.19 -1.00 119.66 119.92 2w9p s GLN 46 Ca 0.07 0.09 -0.26 0.00 0.05 0.00 0.00 55.36 55.31 2w9p s GLN 46 Cb -0.07 0.13 0.03 0.00 1.10 0.00 0.00 33.01 34.20 2w9p s GLN 46 CO -0.01 -0.05 1.27 0.08 -0.55 0.00 0.00 175.29 176.04 2w9p s VAL 47 N -0.28 3.78 0.00 1.34 1.01 -1.26 -0.80 120.40 124.18 2w9p s VAL 47 Ca -0.04 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2w9p s VAL 47 Cb -0.03 -4.92 0.00 0.00 0.00 0.00 0.00 36.38 31.44 2w9p s VAL 47 CO 0.01 -1.84 0.00 0.52 0.00 0.00 0.00 175.10 173.79 2w9p n VAL 48 N 6.39 0.00 -2.72 2.92 0.31 -1.26 -4.82 118.33 119.14 2w9p n VAL 48 Ca 0.05 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.17 2w9p n VAL 48 Cb 0.49 -0.01 -0.01 0.00 -0.91 0.00 0.00 33.84 33.41 2w9p n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2w9p n ALA 49 N -3.00 4.15 0.00 3.52 0.00 -1.26 -4.86 120.51 119.05 2w9p n ALA 49 Ca 0.00 -3.98 0.00 0.00 0.00 0.00 0.00 53.44 49.46 2w9p n ALA 49 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2w9p n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w9p n GLY 50 N -0.22 0.05 3.17 0.00 0.00 -1.26 -4.84 105.19 102.08 2w9p n GLY 50 Ca 0.28 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 2w9p n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w9p s ILE 51 N 0.00 0.06 -0.14 -0.61 -1.09 -0.25 -4.57 121.20 114.60 2w9p s ILE 51 Ca 0.00 -0.52 -0.00 0.00 -2.23 0.00 0.00 60.65 57.90 2w9p s ILE 51 Cb 0.00 -0.50 -0.01 0.00 -1.58 0.00 0.00 42.46 40.36 2w9p s ILE 51 CO 0.00 -0.28 -0.12 -0.04 -1.23 0.00 0.00 174.94 173.26 2w9p s MET 52 N -1.19 3.39 -0.23 2.79 -1.94 0.02 -0.97 119.30 121.17 2w9p s MET 52 Ca -0.13 -0.68 -0.02 0.00 -1.71 0.00 0.00 55.69 53.15 2w9p s MET 52 Cb -0.06 -2.66 0.01 0.00 2.01 0.00 0.00 34.83 34.14 2w9p s MET 52 CO 0.03 0.19 -0.07 0.71 -0.01 0.00 0.00 175.02 175.87 2w9p s TYR 53 N 0.41 2.99 -0.36 -0.03 2.02 -0.19 -1.02 117.35 121.17 2w9p s TYR 53 Ca -0.10 -1.33 -0.18 0.00 -0.37 0.00 0.00 57.07 55.09 2w9p s TYR 53 Cb -0.16 -2.06 -0.00 0.00 -0.40 0.00 0.00 41.96 39.34 2w9p s TYR 53 CO 0.05 -0.67 0.49 0.71 -1.57 0.00 0.00 175.55 174.56 2w9p s TYR 54 N 1.38 3.18 -0.09 2.71 1.51 -0.18 -1.05 117.35 124.80 2w9p s TYR 54 Ca 0.03 0.10 0.04 0.00 -1.01 0.00 0.00 57.07 56.22 2w9p s TYR 54 Cb -0.15 -2.90 -0.01 0.00 -0.11 0.00 0.00 41.96 38.79 2w9p s TYR 54 CO -0.05 -0.55 -0.22 0.42 -1.11 0.00 0.00 175.55 174.04 2w9p s ILE 55 N 2.34 2.28 -0.23 2.71 1.01 -0.22 -0.93 121.20 128.16 2w9p s ILE 55 Ca 0.17 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 59.81 2w9p s ILE 55 Cb -0.16 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 2w9p s ILE 55 CO 0.13 0.56 0.03 -0.89 0.00 0.00 0.00 174.94 174.77 2w9p s THR 56 N 0.19 3.97 -0.06 2.92 2.01 -0.17 -1.00 115.64 123.50 2w9p s THR 56 Ca -0.13 -0.29 0.03 0.00 0.31 0.00 0.00 61.69 61.61 2w9p s THR 56 Cb -0.16 -2.84 0.01 0.00 0.01 0.00 0.00 72.50 69.52 2w9p s THR 56 CO 0.07 0.38 -0.15 -1.48 -0.69 0.00 0.00 174.62 172.75 2w9p s LEU 57 N 1.51 1.79 -0.08 4.42 2.34 -0.13 -0.88 118.68 127.66 2w9p s LEU 57 Ca 0.06 -0.33 -0.20 0.00 0.06 0.00 0.00 54.13 53.71 2w9p s LEU 57 Cb -0.15 -0.91 -0.04 0.00 -0.56 0.00 0.00 46.19 44.53 2w9p s LEU 57 CO 0.01 0.09 0.57 0.00 -1.06 0.00 0.00 176.35 175.97 2w9p s ALA 58 N 0.38 3.43 -0.06 1.48 0.00 -0.02 -0.93 121.76 126.05 2w9p s ALA 58 Ca -0.10 -0.04 -0.22 0.00 0.00 0.00 0.00 51.96 51.60 2w9p s ALA 58 Cb -0.14 -2.77 0.05 0.00 0.00 0.00 0.00 23.12 20.26 2w9p s ALA 58 CO 0.03 0.01 0.49 0.00 0.00 0.00 0.00 175.76 176.29 2w9p s ALA 59 N 0.49 -1.26 -0.11 0.00 0.00 -0.16 -1.01 121.76 119.71 2w9p s ALA 59 Ca 0.31 0.90 -0.02 0.00 0.00 0.00 0.00 51.96 53.15 2w9p s ALA 59 Cb -0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 2w9p s ALA 59 CO 0.14 -0.30 -0.02 -0.08 0.00 0.00 0.00 175.76 175.50 2w9p s THR 60 N -1.03 4.12 0.25 0.00 -1.32 -0.16 -0.97 115.64 116.53 2w9p s THR 60 Ca -0.10 -0.31 -0.30 0.00 -1.21 0.00 0.00 61.69 59.77 2w9p s THR 60 Cb -0.03 -2.75 -0.09 0.00 -1.51 0.00 0.00 72.50 68.12 2w9p s THR 60 CO 0.06 0.56 1.14 1.51 -2.21 0.00 0.00 174.62 175.69 2w9p s ASP 61 N -0.44 7.18 0.66 8.08 -4.77 -0.10 -1.04 116.67 126.24 2w9p s ASP 61 Ca 0.07 2.29 0.18 0.00 -3.30 0.00 0.00 52.55 51.79 2w9p s ASP 61 Cb -0.12 -2.62 0.99 0.00 -1.09 0.00 0.00 42.92 40.07 2w9p s ASP 61 CO 0.02 -0.24 1.56 -0.78 0.70 0.00 0.00 175.17 176.43 2w9p h ASP 62 N 4.22 0.00 0.00 2.11 3.58 -1.89 -0.30 116.42 124.14 2w9p h ASP 62 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2w9p h ASP 62 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2w9p h ASP 62 CO 0.69 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 177.05 2w9p n ALA 63 N -1.74 3.39 -0.99 -0.78 0.00 -1.26 -4.72 120.51 114.41 2w9p n ALA 63 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 2w9p n ALA 63 Cb 0.63 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 2w9p n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w9p n GLY 64 N 1.41 0.62 3.42 0.00 0.00 -0.27 -4.87 105.19 105.49 2w9p n GLY 64 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2w9p n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w9p s LYS 65 N -2.16 3.21 -1.08 1.61 1.02 -0.36 -4.88 119.74 117.10 2w9p s LYS 65 Ca 0.00 -1.29 -0.23 0.00 0.02 0.00 0.00 55.97 54.47 2w9p s LYS 65 Cb 0.00 -4.40 -0.03 0.00 -0.52 0.00 0.00 37.83 32.87 2w9p s LYS 65 CO 0.00 -1.68 1.85 0.21 -0.92 0.00 0.00 175.35 174.81 2w9p s LYS 66 N 3.07 2.87 0.61 1.68 2.47 -1.26 -0.93 119.74 128.25 2w9p s LYS 66 Ca 0.20 -0.98 -0.03 0.00 -1.56 0.00 0.00 55.97 53.60 2w9p s LYS 66 Cb -0.17 -5.24 0.04 0.00 -1.46 0.00 0.00 37.83 31.00 2w9p s LYS 66 CO 0.03 -3.30 0.88 0.15 0.16 0.00 0.00 175.35 173.28 2w9p s LYS 67 N 6.14 2.48 -0.34 4.03 1.02 -0.15 -4.86 119.74 128.06 2w9p s LYS 67 Ca 0.64 -0.45 0.03 0.00 0.02 0.00 0.00 55.97 56.21 2w9p s LYS 67 Cb -0.02 -2.34 0.10 0.00 -0.52 0.00 0.00 37.83 35.06 2w9p s LYS 67 CO 0.05 -0.90 0.07 0.42 -0.92 0.00 0.00 175.35 174.07 2w9p s ILE 68 N -2.97 2.03 0.39 2.17 1.09 -1.26 -0.99 121.20 121.66 2w9p s ILE 68 Ca 0.57 -2.22 -0.04 0.00 -1.10 0.00 0.00 60.65 57.87 2w9p s ILE 68 Cb -0.10 -2.50 -0.04 0.00 -1.06 0.00 0.00 42.46 38.75 2w9p s ILE 68 CO 0.42 -0.62 0.65 -0.31 -0.10 0.00 0.00 174.94 174.98 2w9p s TYR 69 N 0.98 3.52 -0.11 3.97 2.02 -0.10 -0.91 117.35 126.71 2w9p s TYR 69 Ca 0.11 0.63 0.03 0.00 -0.37 0.00 0.00 57.07 57.48 2w9p s TYR 69 Cb -0.19 -2.13 0.00 0.00 -0.40 0.00 0.00 41.96 39.25 2w9p s TYR 69 CO -0.11 -0.03 -0.23 0.15 -1.57 0.00 0.00 175.55 173.76 2w9p s LYS 70 N -4.28 2.99 -0.03 -0.62 1.02 -0.08 -0.95 119.74 117.78 2w9p s LYS 70 Ca 0.44 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.60 2w9p s LYS 70 Cb -0.10 -2.32 0.01 0.00 -0.52 0.00 0.00 37.83 34.90 2w9p s LYS 70 CO 0.38 0.10 -0.08 0.00 -0.92 0.00 0.00 175.35 174.82 2w9p s ALA 71 N 0.54 0.84 -0.21 5.17 0.00 -0.17 -0.87 121.76 127.06 2w9p s ALA 71 Ca -0.14 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.47 2w9p s ALA 71 Cb -0.17 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 2w9p s ALA 71 CO 0.05 0.11 0.03 0.15 0.00 0.00 0.00 175.76 176.10 2w9p s LYS 72 N 0.34 3.70 -0.02 0.00 1.02 -0.19 -1.05 119.74 123.53 2w9p s LYS 72 Ca -0.05 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 55.47 2w9p s LYS 72 Cb -0.10 -3.18 0.02 0.00 -0.52 0.00 0.00 37.83 34.06 2w9p s LYS 72 CO 0.01 0.01 0.01 -1.50 -0.92 0.00 0.00 175.35 172.96 2w9p s ILE 73 N 1.04 0.10 -0.29 2.17 2.07 -0.21 -0.96 121.20 125.11 2w9p s ILE 73 Ca 0.03 0.11 -0.17 0.00 -1.41 0.00 0.00 60.65 59.20 2w9p s ILE 73 Cb -0.14 -0.20 -0.02 0.00 0.13 0.00 0.00 42.46 42.23 2w9p s ILE 73 CO 0.02 0.12 0.48 0.86 -1.91 0.00 0.00 174.94 174.51 2w9p s TRP 74 N 0.92 3.23 -0.21 3.50 -0.00 -0.06 -1.02 118.94 125.30 2w9p s TRP 74 Ca -0.09 0.43 0.01 0.00 -0.00 0.00 0.00 56.10 56.45 2w9p s TRP 74 Cb -0.12 -2.76 0.04 0.00 -0.00 0.00 0.00 33.47 30.63 2w9p s TRP 74 CO -0.02 -0.36 -0.13 0.08 -0.00 0.00 0.00 176.95 176.51 2w9p s VAL 75 N 2.29 1.90 -0.80 5.86 1.01 -0.14 -0.99 120.40 129.53 2w9p s VAL 75 Ca 0.19 -1.15 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 2w9p s VAL 75 Cb -0.16 -1.90 0.21 0.00 0.00 0.00 0.00 36.38 34.53 2w9p s VAL 75 CO 0.11 0.23 0.69 -0.54 0.00 0.00 0.00 175.10 175.59 2w9p s LYS 76 N 1.29 3.24 0.22 2.72 1.02 -0.22 -1.09 119.74 126.91 2w9p s LYS 76 Ca -0.01 -2.72 -0.12 0.00 0.02 0.00 0.00 55.97 53.14 2w9p s LYS 76 Cb -0.16 -4.11 0.29 0.00 -0.52 0.00 0.00 37.83 33.33 2w9p s LYS 76 CO -0.09 -1.24 1.39 -0.85 -0.92 0.00 0.00 175.35 173.64 2w9p n GLU 77 N 3.36 -0.16 0.00 1.68 0.28 -1.26 -1.03 120.64 123.51 2w9p n GLU 77 Ca 0.14 1.38 0.08 0.00 -0.16 0.00 0.00 57.16 58.60 2w9p n GLU 77 Cb 0.41 -2.05 0.49 0.00 1.43 0.00 0.00 31.44 31.72 2w9p n GLU 77 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 177.13 174.30 2w9p n TRP 78 N -5.37 0.00 -0.93 -1.84 4.27 -1.26 -1.13 117.44 111.19 2w9p n TRP 78 Ca 0.11 0.00 0.02 0.00 -3.89 0.00 0.00 57.50 53.74 2w9p n TRP 78 Cb 0.39 0.00 0.03 0.00 -1.36 0.00 0.00 31.31 30.37 2w9p n TRP 78 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 2w9p n GLU 79 N -0.98 1.12 -3.88 -2.67 1.02 -0.23 -4.99 120.64 110.03 2w9p n GLU 79 Ca 0.12 -1.29 -0.21 0.00 -0.02 0.00 0.00 57.16 55.76 2w9p n GLU 79 Cb 0.06 -0.84 0.01 0.00 -0.02 0.00 0.00 31.44 30.65 2w9p n GLU 79 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2w9p n ASP 80 N -0.42 -1.75 -4.43 1.62 3.85 -0.28 -4.90 116.55 110.23 2w9p n ASP 80 Ca 0.03 -0.58 -0.35 0.00 -0.71 0.00 0.00 54.79 53.17 2w9p n ASP 80 Cb 0.50 -0.70 -0.13 0.00 -1.35 0.00 0.00 41.12 39.44 2w9p n ASP 80 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 2w9p s PHE 81 N -4.33 3.05 -0.04 2.11 5.36 -0.20 -4.99 117.98 118.93 2w9p s PHE 81 Ca 0.22 -0.49 0.05 0.00 -0.96 0.00 0.00 56.93 55.74 2w9p s PHE 81 Cb -0.12 -2.14 -0.01 0.00 -0.34 0.00 0.00 43.02 40.41 2w9p s PHE 81 CO 0.43 -0.31 -0.20 0.15 -1.46 0.00 0.00 175.22 173.83 2w9p s LYS 82 N 1.26 2.02 -0.06 10.12 1.02 -1.26 -1.06 119.74 131.78 2w9p s LYS 82 Ca 0.04 -0.72 -0.02 0.00 0.02 0.00 0.00 55.97 55.28 2w9p s LYS 82 Cb -0.15 -1.76 0.04 0.00 -0.52 0.00 0.00 37.83 35.45 2w9p s LYS 82 CO 0.02 0.31 0.11 0.21 -0.92 0.00 0.00 175.35 175.08 2w9p s LYS 83 N -0.09 0.00 -0.41 1.68 2.20 -0.16 -5.02 119.74 117.94 2w9p s LYS 83 Ca -0.02 0.43 -0.27 0.00 -0.36 0.00 0.00 55.97 55.75 2w9p s LYS 83 Cb -0.12 -0.32 0.02 0.00 -1.51 0.00 0.00 37.83 35.91 2w9p s LYS 83 CO 0.02 -0.27 0.98 0.08 -0.36 0.00 0.00 175.35 175.81 2w9p s VAL 84 N 1.88 4.47 -0.57 4.02 1.01 -1.26 -0.88 120.40 129.06 2w9p s VAL 84 Ca -0.00 1.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.92 2w9p s VAL 84 Cb -0.12 -4.43 0.10 0.00 0.00 0.00 0.00 36.38 31.94 2w9p s VAL 84 CO -0.05 -0.71 0.65 0.68 0.00 0.00 0.00 175.10 175.67 2w9p s VAL 85 N 3.77 4.91 0.34 2.92 -7.23 -0.13 -4.91 120.40 120.07 2w9p s VAL 85 Ca 0.40 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 2w9p s VAL 85 Cb -0.10 -4.44 0.00 0.00 0.56 0.00 0.00 36.38 32.40 2w9p s VAL 85 CO 0.23 -1.04 0.00 1.21 -0.31 0.00 0.00 175.10 175.19 2w9p n GLU 86 N 6.08 -4.19 -3.61 4.82 2.13 -1.26 -3.53 120.64 121.08 2w9p n GLU 86 Ca -0.10 3.05 -0.27 0.00 0.66 0.00 0.00 57.16 60.49 2w9p n GLU 86 Cb 0.42 -3.37 -0.16 0.00 0.27 0.00 0.00 31.44 28.60 2w9p n GLU 86 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2w9p s PHE 87 N -2.13 0.35 0.27 4.31 2.19 -1.26 -1.02 117.98 120.69 2w9p s PHE 87 Ca 0.00 -0.54 0.09 0.00 0.33 0.00 0.00 56.93 56.81 2w9p s PHE 87 Cb 0.00 -0.80 -0.04 0.00 -1.31 0.00 0.00 43.02 40.86 2w9p s PHE 87 CO 0.00 -0.61 0.02 0.21 1.83 0.00 0.00 175.22 176.67 2w9p s LYS 88 N 2.09 2.32 0.66 10.12 2.20 -0.05 -4.92 119.74 132.16 2w9p s LYS 88 Ca 0.04 -1.42 -0.10 0.00 -0.36 0.00 0.00 55.97 54.12 2w9p s LYS 88 Cb -0.16 -2.17 -0.00 0.00 -1.51 0.00 0.00 37.83 33.99 2w9p s LYS 88 CO -0.16 0.34 1.04 -1.17 -0.36 0.00 0.00 175.35 175.04 2w9p s LEU 89 N -3.70 3.06 0.00 5.43 0.20 -1.26 -0.90 118.68 121.51 2w9p s LEU 89 Ca 0.32 1.14 0.00 0.00 0.69 0.00 0.00 54.13 56.28 2w9p s LEU 89 Cb -0.06 -4.01 0.00 0.00 -0.43 0.00 0.00 46.19 41.69 2w9p s LEU 89 CO 0.20 -1.15 0.00 1.33 -0.29 0.00 0.00 176.35 176.44