#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2b n SER 2 N 0.00 0.47 -3.47 2.55 3.41 -1.26 -5.02 113.62 110.30 1w2b n SER 2 Ca 0.00 -0.56 -0.12 0.00 -0.26 0.00 0.00 58.87 57.93 1w2b n SER 2 Cb 0.00 1.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.94 1w2b n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1w2b s SER 3 N -1.48 -0.51 -0.45 4.04 1.04 -1.26 -5.10 113.70 109.97 1w2b s SER 3 Ca 0.01 -0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.46 1w2b s SER 3 Cb 0.03 0.59 0.39 0.00 0.10 0.00 0.00 66.02 67.13 1w2b s SER 3 CO 0.18 -0.97 0.98 -3.20 0.98 0.00 0.00 173.24 171.21 1w2b n ASN 4 N -0.36 3.52 -2.08 7.02 5.15 -1.26 -4.95 115.26 122.31 1w2b n ASN 4 Ca -0.16 -3.43 0.00 0.00 -0.60 0.00 0.00 54.58 50.39 1w2b n ASN 4 Cb 0.65 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 39.37 1w2b n ASN 4 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1w2b n GLY 5 N -0.23 -0.25 0.13 8.20 0.00 -1.26 -5.02 105.19 106.76 1w2b n GLY 5 Ca 0.29 -1.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.33 1w2b n GLY 5 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1w2b h PRO 6 N 0.00 0.30 0.00 1.61 0.11 -2.04 -3.35 132.00 128.63 1w2b h PRO 6 Ca 0.00 -0.51 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1w2b h PRO 6 Cb 0.00 0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.30 1w2b h PRO 6 CO 0.00 1.25 0.00 1.28 -0.21 0.00 0.00 178.00 180.32 1w2b n LEU 7 N -3.93 0.00 -4.48 2.35 4.77 -1.26 -4.75 117.00 109.69 1w2b n LEU 7 Ca -0.21 0.49 -0.52 0.00 -0.03 0.00 0.00 56.01 55.73 1w2b n LEU 7 Cb 0.91 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 1w2b n LEU 7 CO 0.46 -0.17 0.40 1.21 -1.33 0.00 0.00 177.39 177.95 1w2b n GLU 8 N -1.49 0.30 -4.02 3.23 0.00 -1.26 -1.59 120.64 115.82 1w2b n GLU 8 Ca 0.05 0.11 -0.27 0.00 0.00 0.00 0.00 57.16 57.04 1w2b n GLU 8 Cb 0.22 -1.42 -0.03 0.00 0.00 0.00 0.00 31.44 30.20 1w2b n GLU 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1w2b n GLY 9 N 1.80 -0.24 0.00 8.31 0.00 -1.26 -4.86 105.19 108.94 1w2b n GLY 9 Ca 0.18 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1w2b n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1w2b n THR 10 N -4.44 0.03 -0.32 2.61 -2.24 -0.62 -4.81 114.28 104.50 1w2b n THR 10 Ca -0.31 -0.41 0.17 0.00 -2.27 0.00 0.00 64.05 61.24 1w2b n THR 10 Cb 0.68 1.19 0.33 0.00 -2.10 0.00 0.00 70.33 70.43 1w2b n THR 10 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1w2b n ARG 11 N -0.02 -0.07 0.15 -0.78 0.63 -1.26 -1.29 116.66 114.03 1w2b n ARG 11 Ca 0.00 1.38 -0.07 0.00 -0.92 0.00 0.00 57.85 58.25 1w2b n ARG 11 Cb 0.07 -2.25 -0.03 0.00 0.45 0.00 0.00 32.46 30.70 1w2b n ARG 11 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1w2b h GLY 12 N 0.00 -0.47 1.55 5.14 0.00 -1.93 -3.17 103.07 104.19 1w2b h GLY 12 Ca 0.61 0.17 0.04 0.00 0.00 0.00 0.00 47.33 48.15 1w2b h GLY 12 CO -0.85 -0.17 0.19 0.07 0.00 0.00 0.00 176.54 175.78 1w2b h LYS 13 N -0.91 0.00 -0.30 4.80 2.10 -1.75 -2.15 116.57 118.37 1w2b h LYS 13 Ca -0.05 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.55 1w2b h LYS 13 Cb 0.34 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.64 1w2b h LYS 13 CO 0.08 0.00 0.00 1.28 -2.00 0.00 0.00 179.45 178.81 1w2b n LEU 14 N -3.58 4.00 -4.45 7.07 4.77 -0.41 -4.81 117.00 119.59 1w2b n LEU 14 Ca 0.00 -3.22 -0.29 0.00 -0.03 0.00 0.00 56.01 52.47 1w2b n LEU 14 Cb 0.29 -0.57 -0.12 0.00 -2.33 0.00 0.00 43.42 40.69 1w2b n LEU 14 CO 0.25 0.82 -0.52 -0.75 -1.33 0.00 0.00 177.39 175.86 1w2b s LYS 15 N -2.95 1.71 0.15 3.23 2.20 -0.81 -4.71 119.74 118.56 1w2b s LYS 15 Ca 0.43 -1.20 0.03 0.00 -0.36 0.00 0.00 55.97 54.87 1w2b s LYS 15 Cb 0.36 -2.06 -0.04 0.00 -1.51 0.00 0.00 37.83 34.59 1w2b s LYS 15 CO 0.07 0.48 0.23 -0.80 -0.36 0.00 0.00 175.35 174.96 1w2b s ASN 16 N -1.99 6.07 -0.02 1.43 0.02 -1.26 -4.92 114.94 114.26 1w2b s ASN 16 Ca 0.16 0.08 -0.30 0.00 -1.02 0.00 0.00 52.86 51.78 1w2b s ASN 16 Cb -0.10 -1.76 -0.04 0.00 0.02 0.00 0.00 41.25 39.37 1w2b s ASN 16 CO 0.08 0.07 1.23 -0.54 0.02 0.00 0.00 177.10 177.96 1w2b s LYS 17 N -3.12 4.36 0.02 -0.60 3.01 -1.26 -4.87 119.74 117.27 1w2b s LYS 17 Ca 0.33 1.74 -0.01 0.00 -1.01 0.00 0.00 55.97 57.03 1w2b s LYS 17 Cb -0.11 -3.52 0.02 0.00 -1.01 0.00 0.00 37.83 33.21 1w2b s LYS 17 CO 0.27 -0.43 0.09 -2.30 0.51 0.00 0.00 175.35 173.49 1w2b n PRO 18 N 4.98 -0.01 0.07 -1.68 -0.02 -1.26 0.90 135.00 137.99 1w2b n PRO 18 Ca 0.11 0.09 -0.13 0.00 -2.02 0.00 0.00 63.50 61.55 1w2b n PRO 18 Cb 0.46 -0.14 -0.08 0.00 -0.02 0.00 0.00 33.50 33.72 1w2b n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1w2b h ARG 19 N 0.00 -0.12 0.00 -0.52 3.08 -2.04 -2.54 114.38 112.24 1w2b h ARG 19 Ca 0.03 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1w2b h ARG 19 Cb 0.04 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1w2b h ARG 19 CO -0.06 0.05 0.00 -0.25 -1.07 0.00 0.00 179.97 178.64 1w2b n ASP 20 N -5.08 0.00 -4.10 7.04 8.00 0.26 -4.80 116.55 117.87 1w2b n ASP 20 Ca -0.08 -0.63 -0.29 0.00 0.71 0.00 0.00 54.79 54.49 1w2b n ASP 20 Cb 0.13 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.49 1w2b n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1w2b s ARG 21 N -2.00 -1.46 0.40 -1.24 3.52 -0.96 -4.83 118.95 112.38 1w2b s ARG 21 Ca 0.04 0.43 0.00 0.00 -0.13 0.00 0.00 55.73 56.07 1w2b s ARG 21 Cb 0.02 -1.52 0.00 0.00 -1.56 0.00 0.00 34.95 31.89 1w2b s ARG 21 CO 0.03 -3.98 0.00 0.41 -0.81 0.00 0.00 175.30 170.96 1w2b n GLY 22 N 0.47 -2.82 1.32 8.12 0.00 -1.26 -4.91 105.19 106.10 1w2b n GLY 22 Ca 0.07 -1.18 -0.17 0.00 0.00 0.00 0.00 46.02 44.74 1w2b n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1w2b n THR 23 N -3.76 0.25 -3.96 2.61 -1.04 -1.26 -4.89 114.28 102.23 1w2b n THR 23 Ca -0.05 -0.20 -0.32 0.00 -2.04 0.00 0.00 64.05 61.44 1w2b n THR 23 Cb 0.49 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.95 1w2b n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1w2b s SER 24 N -0.40 6.16 0.49 8.00 0.01 -1.26 -5.07 113.70 121.63 1w2b s SER 24 Ca 0.24 0.24 -0.22 0.00 1.31 0.00 0.00 55.95 57.52 1w2b s SER 24 Cb -0.25 -1.87 -0.09 0.00 0.21 0.00 0.00 66.02 64.02 1w2b s SER 24 CO 0.25 0.22 0.94 -2.65 0.41 0.00 0.00 173.24 172.41 1w2b n PRO 25 N 0.67 1.14 -0.01 12.44 -0.02 -1.26 -4.92 135.00 143.04 1w2b n PRO 25 Ca -0.09 0.42 -0.11 0.00 -2.02 0.00 0.00 63.50 61.70 1w2b n PRO 25 Cb 0.52 -2.04 0.03 0.00 -0.02 0.00 0.00 33.50 31.99 1w2b n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1w2b h PRO 26 N 1.11 0.61 -0.26 0.52 0.11 -2.00 -3.37 132.00 128.71 1w2b h PRO 26 Ca -0.46 -0.40 0.02 0.00 0.11 0.00 0.00 66.00 65.28 1w2b h PRO 26 Cb 1.35 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.48 1w2b h PRO 26 CO 0.54 1.01 -0.16 0.94 -0.21 0.00 0.00 178.00 180.13 1w2b n GLN 27 N -3.95 -0.12 0.33 1.05 -0.06 -1.26 -0.24 117.38 113.13 1w2b n GLN 27 Ca -0.04 0.88 0.22 0.00 -2.00 0.00 0.00 57.00 56.06 1w2b n GLN 27 Cb 0.63 -1.31 1.12 0.00 -4.06 0.00 0.00 30.24 26.62 1w2b n GLN 27 CO 0.00 0.00 0.00 0.07 -0.20 0.00 0.00 177.06 176.93 1w2b h ARG 28 N 0.00 0.00 0.00 3.69 0.11 -1.98 0.20 114.38 116.41 1w2b h ARG 28 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 1w2b h ARG 28 Cb 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 1w2b h ARG 28 CO -0.25 0.00 0.00 0.00 0.10 0.00 0.00 179.97 179.82 1w2b h ALA 29 N 2.00 1.00 0.00 0.08 0.00 -0.78 -3.06 119.26 118.49 1w2b h ALA 29 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1w2b h ALA 29 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1w2b h ALA 29 CO 0.00 0.00 -0.55 0.28 0.00 0.00 0.00 179.25 178.98 1w2b n VAL 30 N -2.38 0.00 -1.41 0.00 0.31 -0.01 -4.32 118.33 110.52 1w2b n VAL 30 Ca 0.05 -0.26 -0.46 0.00 -0.01 0.00 0.00 64.34 63.65 1w2b n VAL 30 Cb 0.41 0.94 -0.02 0.00 -0.91 0.00 0.00 33.84 34.26 1w2b n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1w2b n GLU 31 N -1.29 0.17 -4.61 5.55 4.07 -0.76 -4.96 120.64 118.82 1w2b n GLU 31 Ca 0.02 0.06 -0.33 0.00 -0.06 0.00 0.00 57.16 56.84 1w2b n GLU 31 Cb 0.17 -1.12 -0.13 0.00 -0.06 0.00 0.00 31.44 30.30 1w2b n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1w2b s GLU 32 N -1.09 3.28 0.20 5.31 0.41 -1.26 -4.79 118.70 120.77 1w2b s GLU 32 Ca 0.63 -0.59 0.10 0.00 -0.41 0.00 0.00 54.97 54.70 1w2b s GLU 32 Cb -0.85 -2.71 -0.04 0.00 -1.78 0.00 0.00 34.13 28.75 1w2b s GLU 32 CO 0.57 0.36 -0.17 -0.06 -0.49 0.00 0.00 175.26 175.48 1w2b s PHE 33 N -0.01 2.44 0.31 1.61 0.40 -1.26 -5.14 117.98 116.34 1w2b s PHE 33 Ca -0.01 -0.30 0.06 0.00 -0.60 0.00 0.00 56.93 56.08 1w2b s PHE 33 Cb -0.14 -1.18 -0.01 0.00 0.51 0.00 0.00 43.02 42.20 1w2b s PHE 33 CO 0.03 0.54 0.43 -0.51 0.70 0.00 0.00 175.22 176.42 1w2b s ASP 34 N -2.90 6.00 -0.12 1.36 1.01 -1.26 -5.02 116.67 115.74 1w2b s ASP 34 Ca 0.24 -0.15 -0.29 0.00 0.71 0.00 0.00 52.55 53.06 1w2b s ASP 34 Cb -0.08 -1.35 -0.05 0.00 1.01 0.00 0.00 42.92 42.45 1w2b s ASP 34 CO 0.13 -0.35 1.83 -1.81 0.21 0.00 0.00 175.17 175.18 1w2b s ASP 35 N -4.12 6.29 0.00 0.27 1.11 -1.26 -1.84 116.67 117.11 1w2b s ASP 35 Ca 0.42 2.08 0.00 0.00 0.18 0.00 0.00 52.55 55.23 1w2b s ASP 35 Cb -0.09 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.37 1w2b s ASP 35 CO 0.30 -1.27 0.00 0.61 1.18 0.00 0.00 175.17 176.00 1w2b n GLY 36 N 4.72 0.59 3.65 0.21 0.00 0.34 -4.98 105.19 109.73 1w2b n GLY 36 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1w2b n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w2b s GLU 37 N -0.68 4.16 0.01 1.61 2.02 -0.77 -4.71 118.70 120.35 1w2b s GLU 37 Ca 0.00 1.40 -0.30 0.00 0.02 0.00 0.00 54.97 56.09 1w2b s GLU 37 Cb 0.00 -3.74 -0.07 0.00 0.10 0.00 0.00 34.13 30.42 1w2b s GLU 37 CO 0.00 -0.79 1.70 0.15 0.02 0.00 0.00 175.26 176.34 1w2b s LYS 38 N 3.55 4.18 0.12 1.61 -0.14 -1.26 -2.69 119.74 125.11 1w2b s LYS 38 Ca 0.50 2.30 0.08 0.00 -1.36 0.00 0.00 55.97 57.50 1w2b s LYS 38 Cb -0.17 -3.85 -0.04 0.00 -1.68 0.00 0.00 37.83 32.09 1w2b s LYS 38 CO 0.14 -0.81 -0.20 0.14 -0.76 0.00 0.00 175.35 173.86 1w2b s VAL 39 N 3.52 1.70 -0.27 3.17 -7.23 -0.60 -0.54 120.40 120.15 1w2b s VAL 39 Ca 0.76 -1.62 -0.10 0.00 -1.81 0.00 0.00 61.98 59.21 1w2b s VAL 39 Cb -0.37 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 1w2b s VAL 39 CO 0.32 -0.13 0.15 -1.00 -0.31 0.00 0.00 175.10 174.13 1w2b s HIS 40 N -1.39 3.17 -0.20 2.82 3.76 0.20 -2.50 115.29 121.15 1w2b s HIS 40 Ca 0.08 -0.10 -0.29 0.00 -0.15 0.00 0.00 55.06 54.60 1w2b s HIS 40 Cb -0.09 -2.33 -0.00 0.00 1.11 0.00 0.00 32.58 31.27 1w2b s HIS 40 CO 0.05 -0.24 1.12 -0.51 -0.85 0.00 0.00 174.74 174.31 1w2b s LEU 41 N 1.70 4.14 -0.29 0.89 1.02 -1.14 -2.06 118.68 122.94 1w2b s LEU 41 Ca 0.07 1.51 -0.02 0.00 0.02 0.00 0.00 54.13 55.71 1w2b s LEU 41 Cb -0.16 -3.54 0.18 0.00 0.02 0.00 0.00 46.19 42.69 1w2b s LEU 41 CO 0.08 -0.69 0.58 -0.75 0.02 0.00 0.00 176.35 175.59 1w2b s LYS 42 N 3.22 0.55 0.34 1.70 2.47 -1.14 -1.44 119.74 125.44 1w2b s LYS 42 Ca 0.48 1.00 -0.29 0.00 -1.56 0.00 0.00 55.97 55.61 1w2b s LYS 42 Cb -0.18 0.48 -0.11 0.00 -1.46 0.00 0.00 37.83 36.57 1w2b s LYS 42 CO 0.10 -0.58 1.40 0.42 0.16 0.00 0.00 175.35 176.85 1w2b s ILE 43 N 2.83 2.43 -0.53 5.43 1.01 -1.26 -4.38 121.20 126.72 1w2b s ILE 43 Ca 0.17 0.42 -0.18 0.00 0.00 0.00 0.00 60.65 61.07 1w2b s ILE 43 Cb -0.15 -3.27 0.09 0.00 0.01 0.00 0.00 42.46 39.14 1w2b s ILE 43 CO -0.20 0.10 0.58 -0.62 0.00 0.00 0.00 174.94 174.79 1w2b s ASP 44 N -0.23 6.19 0.19 3.58 -1.08 -1.26 -4.93 116.67 119.13 1w2b s ASP 44 Ca 0.52 -1.32 0.03 0.00 -0.52 0.00 0.00 52.55 51.26 1w2b s ASP 44 Cb -0.43 -2.26 0.51 0.00 -1.46 0.00 0.00 42.92 39.29 1w2b s ASP 44 CO 0.56 -0.90 0.95 -2.65 0.52 0.00 0.00 175.17 173.65 1w2b n PRO 45 N 5.84 -0.05 -0.05 4.34 -0.02 -1.26 0.20 135.00 144.01 1w2b n PRO 45 Ca -0.10 0.90 -0.01 0.00 -2.02 0.00 0.00 63.50 62.27 1w2b n PRO 45 Cb 0.43 -1.46 0.27 0.00 -0.02 0.00 0.00 33.50 32.72 1w2b n PRO 45 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1w2b h SER 46 N 0.00 0.59 -3.10 2.55 0.02 -1.91 -3.40 113.55 108.30 1w2b h SER 46 Ca 0.39 -0.10 -0.55 0.00 -0.84 0.00 0.00 61.79 60.69 1w2b h SER 46 Cb 0.84 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.16 1w2b h SER 46 CO -0.56 0.61 1.04 -0.69 -1.14 0.00 0.00 176.83 176.10 1w2b s VAL 47 N -5.09 3.92 0.02 2.27 1.01 0.52 -4.92 120.40 118.12 1w2b s VAL 47 Ca -0.08 0.84 -0.26 0.00 0.00 0.00 0.00 61.98 62.47 1w2b s VAL 47 Cb 0.16 -4.52 -0.16 0.00 0.00 0.00 0.00 36.38 31.86 1w2b s VAL 47 CO 0.77 -1.15 1.22 -0.65 0.00 0.00 0.00 175.10 175.30 1w2b h PRO 48 N 10.34 -0.65 -7.54 2.72 0.11 -1.81 -3.43 132.00 131.74 1w2b h PRO 48 Ca -0.26 0.04 -0.48 0.00 0.11 0.00 0.00 66.00 65.41 1w2b h PRO 48 Cb 1.08 0.15 0.09 0.00 0.11 0.00 0.00 31.00 32.43 1w2b h PRO 48 CO 1.16 -0.35 0.41 -0.80 -0.21 0.00 0.00 178.00 178.21 1w2b s ASN 49 N -4.76 4.97 -1.12 -2.05 0.01 -1.26 -4.36 114.94 106.37 1w2b s ASN 49 Ca -0.14 0.97 0.00 0.00 -0.71 0.00 0.00 52.86 52.98 1w2b s ASN 49 Cb 0.02 -1.63 0.00 0.00 0.41 0.00 0.00 41.25 40.05 1w2b s ASN 49 CO 0.50 -1.63 0.00 0.61 -1.51 0.00 0.00 177.10 175.07 1w2b n GLY 50 N -3.12 0.87 3.85 0.66 0.00 -1.26 -4.92 105.19 101.27 1w2b n GLY 50 Ca 0.07 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 1w2b n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w2b s ARG 51 N -3.40 3.92 0.00 1.61 0.52 -1.26 -2.84 118.95 117.51 1w2b s ARG 51 Ca 0.00 0.41 0.00 0.00 -0.52 0.00 0.00 55.73 55.62 1w2b s ARG 51 Cb 0.00 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.47 1w2b s ARG 51 CO 0.00 0.54 0.00 1.97 0.02 0.00 0.00 175.30 177.83 1w2b n PHE 52 N 1.00 -2.61 -2.45 -0.53 1.16 -1.26 -4.97 117.46 107.80 1w2b n PHE 52 Ca -0.07 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.08 1w2b n PHE 52 Cb 0.52 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.36 1w2b n PHE 52 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1w2b s HIS 53 N 0.83 3.20 -0.79 2.97 5.65 -1.26 -4.87 115.29 121.02 1w2b s HIS 53 Ca 0.00 1.21 0.00 0.00 0.25 0.00 0.00 55.06 56.52 1w2b s HIS 53 Cb 0.00 -3.43 0.00 0.00 -1.18 0.00 0.00 32.58 27.97 1w2b s HIS 53 CO 0.00 -1.34 0.29 -2.30 -0.65 0.00 0.00 174.74 170.74 1w2b n PRO 54 N 5.11 0.00 0.06 2.88 -0.02 -1.26 -0.67 135.00 141.11 1w2b n PRO 54 Ca 0.11 0.03 0.12 0.00 -2.02 0.00 0.00 63.50 61.74 1w2b n PRO 54 Cb 0.46 -1.55 0.17 0.00 -0.02 0.00 0.00 33.50 32.56 1w2b n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1w2b h ARG 55 N 0.00 0.00 -0.01 -0.52 3.08 -1.90 -3.35 114.38 111.68 1w2b h ARG 55 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1w2b h ARG 55 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1w2b h ARG 55 CO 0.00 0.00 -0.43 1.19 -1.07 0.00 0.00 179.97 179.66 1w2b n PHE 56 N -2.15 0.00 -1.68 3.04 3.72 0.16 -4.88 117.46 115.66 1w2b n PHE 56 Ca 0.03 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 56.94 1w2b n PHE 56 Cb 0.45 -0.12 -0.05 0.00 -0.94 0.00 0.00 39.48 38.82 1w2b n PHE 56 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1w2b n ASP 57 N -0.81 3.26 0.00 4.37 9.92 -1.26 -1.29 116.55 130.75 1w2b n ASP 57 Ca 0.09 1.00 0.00 0.00 -0.53 0.00 0.00 54.79 55.35 1w2b n ASP 57 Cb 0.37 -1.35 0.00 0.00 -0.64 0.00 0.00 41.12 39.50 1w2b n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1w2b n GLY 58 N 4.24 2.03 3.29 0.44 0.00 -0.52 -5.02 105.19 109.65 1w2b n GLY 58 Ca 0.22 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 1w2b n GLY 58 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1w2b n GLN 59 N 0.00 -2.15 -3.11 1.61 1.13 -0.41 -4.79 117.38 109.66 1w2b n GLN 59 Ca 0.00 -0.61 -0.21 0.00 -1.94 0.00 0.00 57.00 54.24 1w2b n GLN 59 Cb 0.00 -1.81 -0.05 0.00 0.11 0.00 0.00 30.24 28.50 1w2b n GLN 59 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1w2b n THR 60 N -4.69 -0.59 -1.10 5.09 -1.04 -1.26 -2.88 114.28 107.80 1w2b n THR 60 Ca 0.02 -3.43 -0.30 0.00 -2.04 0.00 0.00 64.05 58.29 1w2b n THR 60 Cb 0.58 -1.22 0.25 0.00 -1.82 0.00 0.00 70.33 68.12 1w2b n THR 60 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1w2b n GLY 61 N 1.58 -2.72 3.07 3.41 0.00 -1.04 -4.70 105.19 104.80 1w2b n GLY 61 Ca 0.19 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 1w2b n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w2b s THR 62 N -3.05 2.05 0.27 2.61 2.01 -0.35 -1.56 115.64 117.61 1w2b s THR 62 Ca 0.72 -1.38 -0.31 0.00 0.31 0.00 0.00 61.69 61.03 1w2b s THR 62 Cb -0.07 -2.09 -0.12 0.00 0.01 0.00 0.00 72.50 70.23 1w2b s THR 62 CO 0.55 0.13 1.62 0.52 -0.69 0.00 0.00 174.62 176.75 1w2b n VAL 63 N 4.52 0.73 -3.03 3.82 0.31 -1.10 -1.26 118.33 122.31 1w2b n VAL 63 Ca -0.16 -0.18 -0.19 0.00 -0.01 0.00 0.00 64.34 63.80 1w2b n VAL 63 Cb 0.45 -1.93 -0.02 0.00 -0.91 0.00 0.00 33.84 31.42 1w2b n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1w2b n GLU 64 N 2.65 1.57 0.00 5.55 -0.58 0.53 0.13 120.64 130.48 1w2b n GLU 64 Ca 0.11 -3.72 0.00 0.00 -0.42 0.00 0.00 57.16 53.13 1w2b n GLU 64 Cb 0.36 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 1w2b n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1w2b n GLY 65 N 0.09 -2.48 3.17 0.62 0.00 -1.26 -4.87 105.19 100.46 1w2b n GLY 65 Ca 0.25 -2.20 -0.08 0.00 0.00 0.00 0.00 46.02 43.99 1w2b n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w2b s LYS 66 N -0.99 0.81 -0.28 1.61 -2.85 -1.26 -1.78 119.74 115.01 1w2b s LYS 66 Ca 0.00 -1.19 0.02 0.00 -1.00 0.00 0.00 55.97 53.80 1w2b s LYS 66 Cb 0.00 0.27 0.08 0.00 -2.06 0.00 0.00 37.83 36.12 1w2b s LYS 66 CO 0.00 -0.23 -0.01 -1.14 0.10 0.00 0.00 175.35 174.08 1w2b s GLN 67 N -3.94 1.51 4.45 1.78 0.74 0.10 -4.87 119.66 119.43 1w2b s GLN 67 Ca 0.11 -1.28 0.00 0.00 0.05 0.00 0.00 55.36 54.24 1w2b s GLN 67 Cb 0.06 -2.69 0.00 0.00 1.10 0.00 0.00 33.01 31.48 1w2b s GLN 67 CO -0.06 -0.75 0.00 0.41 -0.55 0.00 0.00 175.29 174.34 1w2b n GLY 68 N 4.56 1.15 0.21 2.59 0.00 -1.26 -2.16 105.19 110.29 1w2b n GLY 68 Ca -0.06 -0.73 0.10 0.00 0.00 0.00 0.00 46.02 45.33 1w2b n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1w2b h ASP 69 N 9.13 0.00 -4.30 1.61 3.32 -2.00 -3.45 116.42 120.73 1w2b h ASP 69 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1w2b h ASP 69 Cb 0.00 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.66 1w2b h ASP 69 CO 0.00 0.09 0.35 0.00 -1.72 0.00 0.00 179.24 177.96 1w2b s ALA 70 N -3.19 2.51 0.36 3.45 0.00 -0.92 -4.73 121.76 119.24 1w2b s ALA 70 Ca 0.06 0.24 0.07 0.00 0.00 0.00 0.00 51.96 52.33 1w2b s ALA 70 Cb 0.06 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 1w2b s ALA 70 CO 0.68 -1.38 0.40 0.71 0.00 0.00 0.00 175.76 176.18 1w2b s TYR 71 N -2.85 2.94 -0.23 0.00 1.51 0.17 -0.72 117.35 118.17 1w2b s TYR 71 Ca 0.61 -0.31 0.02 0.00 -1.01 0.00 0.00 57.07 56.38 1w2b s TYR 71 Cb -0.16 -1.99 0.05 0.00 -0.11 0.00 0.00 41.96 39.75 1w2b s TYR 71 CO 0.52 -0.01 -0.11 0.15 -1.11 0.00 0.00 175.55 174.99 1w2b s LYS 72 N -4.12 2.20 -0.20 -0.62 1.02 -0.73 -1.57 119.74 115.72 1w2b s LYS 72 Ca 0.45 -1.09 -0.02 0.00 0.02 0.00 0.00 55.97 55.33 1w2b s LYS 72 Cb -0.07 -2.68 -0.01 0.00 -0.52 0.00 0.00 37.83 34.55 1w2b s LYS 72 CO 0.29 -0.49 -0.08 0.08 -0.92 0.00 0.00 175.35 174.24 1w2b s VAL 73 N 1.25 3.13 -0.05 3.17 1.01 0.32 -0.35 120.40 128.88 1w2b s VAL 73 Ca -0.05 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.09 1w2b s VAL 73 Cb -0.18 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1w2b s VAL 73 CO -0.07 0.46 0.82 -1.81 0.00 0.00 0.00 175.10 174.50 1w2b s ASP 74 N 1.22 7.13 0.33 3.32 1.01 -0.39 0.38 116.67 129.66 1w2b s ASP 74 Ca 0.02 1.36 0.06 0.00 0.71 0.00 0.00 52.55 54.71 1w2b s ASP 74 Cb -0.14 -2.48 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 1w2b s ASP 74 CO -0.03 -0.20 0.30 0.27 0.21 0.00 0.00 175.17 175.72 1w2b s ILE 75 N 1.02 0.00 -0.19 0.77 -4.36 -0.30 -1.21 121.20 116.92 1w2b s ILE 75 Ca 0.43 -1.95 -0.01 0.00 -0.26 0.00 0.00 60.65 58.86 1w2b s ILE 75 Cb -0.19 -2.52 0.05 0.00 1.25 0.00 0.00 42.46 41.05 1w2b s ILE 75 CO 0.21 0.00 -0.01 -0.69 0.24 0.00 0.00 174.94 174.69 1w2b s VAL 76 N -3.40 0.91 -0.21 8.37 1.01 -1.26 -1.20 120.40 124.62 1w2b s VAL 76 Ca 0.39 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.48 1w2b s VAL 76 Cb 0.02 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1w2b s VAL 76 CO 0.26 -0.08 0.54 -0.62 0.00 0.00 0.00 175.10 175.20 1w2b s ASP 77 N 1.69 6.55 0.51 3.32 -1.08 0.12 -4.78 116.67 123.01 1w2b s ASP 77 Ca -0.02 0.66 0.00 0.00 -0.52 0.00 0.00 52.55 52.68 1w2b s ASP 77 Cb -0.17 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 1w2b s ASP 77 CO -0.07 -0.22 0.00 0.61 0.52 0.00 0.00 175.17 176.01 1w2b n GLY 78 N 3.99 0.36 0.19 2.66 0.00 -1.26 0.20 105.19 111.33 1w2b n GLY 78 Ca -0.04 0.66 0.02 0.00 0.00 0.00 0.00 46.02 46.66 1w2b n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w2b n GLY 79 N 0.00 0.75 3.59 -0.02 0.00 -1.26 -5.06 105.19 103.20 1w2b n GLY 79 Ca 0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1w2b n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1w2b s LYS 80 N -0.73 3.51 0.19 1.61 2.20 0.52 -5.09 119.74 121.95 1w2b s LYS 80 Ca 0.06 -0.44 -0.30 0.00 -0.36 0.00 0.00 55.97 54.94 1w2b s LYS 80 Cb 0.06 -2.94 -0.08 0.00 -1.51 0.00 0.00 37.83 33.35 1w2b s LYS 80 CO 0.01 0.41 1.13 -1.21 -0.36 0.00 0.00 175.35 175.33 1w2b s GLU 81 N -0.07 4.57 -0.01 4.03 2.02 -1.26 0.14 118.70 128.12 1w2b s GLU 81 Ca 0.04 1.78 -0.09 0.00 0.02 0.00 0.00 54.97 56.71 1w2b s GLU 81 Cb -0.13 -3.26 0.01 0.00 0.10 0.00 0.00 34.13 30.85 1w2b s GLU 81 CO 0.02 0.04 0.18 0.15 0.02 0.00 0.00 175.26 175.67 1w2b s LYS 82 N -0.45 0.50 -0.35 1.61 1.02 -0.34 -4.90 119.74 116.83 1w2b s LYS 82 Ca 0.50 -0.30 -0.06 0.00 0.02 0.00 0.00 55.97 56.13 1w2b s LYS 82 Cb -0.31 0.21 0.06 0.00 -0.52 0.00 0.00 37.83 37.27 1w2b s LYS 82 CO 0.36 -0.12 0.12 0.99 -0.92 0.00 0.00 175.35 175.78 1w2b s THR 83 N -1.25 3.64 -0.00 2.17 2.01 -1.26 -1.15 115.64 119.80 1w2b s THR 83 Ca -0.13 -1.34 -0.19 0.00 0.31 0.00 0.00 61.69 60.34 1w2b s THR 83 Cb -0.07 -3.15 -0.06 0.00 0.01 0.00 0.00 72.50 69.24 1w2b s THR 83 CO 0.02 -0.28 0.55 -0.63 -0.69 0.00 0.00 174.62 173.60 1w2b s ILE 84 N 1.35 4.92 -0.45 1.82 1.01 0.16 -4.85 121.20 125.16 1w2b s ILE 84 Ca -0.00 1.16 -0.15 0.00 0.00 0.00 0.00 60.65 61.66 1w2b s ILE 84 Cb -0.20 -3.89 0.05 0.00 0.01 0.00 0.00 42.46 38.43 1w2b s ILE 84 CO 0.01 0.45 0.35 -0.63 0.00 0.00 0.00 174.94 175.13 1w2b s ILE 85 N -0.38 5.19 0.04 2.92 -1.09 -1.26 0.12 121.20 126.74 1w2b s ILE 85 Ca 0.29 -0.93 0.02 0.00 -2.23 0.00 0.00 60.65 57.80 1w2b s ILE 85 Cb -0.18 -4.03 -0.02 0.00 -1.58 0.00 0.00 42.46 36.65 1w2b s ILE 85 CO 0.16 -0.48 -0.07 0.54 -1.23 0.00 0.00 174.94 173.86 1w2b s VAL 86 N 1.64 0.52 0.09 2.92 0.11 -0.61 -4.53 120.40 120.54 1w2b s VAL 86 Ca 0.04 -1.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.01 1w2b s VAL 86 Cb -0.22 -0.58 -0.06 0.00 -1.53 0.00 0.00 36.38 33.99 1w2b s VAL 86 CO 0.08 -0.34 0.39 0.42 -3.33 0.00 0.00 175.10 172.31 1w2b s THR 87 N -1.27 5.12 0.12 5.04 -4.23 -1.13 0.42 115.64 119.71 1w2b s THR 87 Ca -0.09 0.34 -0.10 0.00 -1.18 0.00 0.00 61.69 60.65 1w2b s THR 87 Cb -0.09 -3.63 0.10 0.00 1.34 0.00 0.00 72.50 70.21 1w2b s THR 87 CO 0.00 0.23 0.82 0.00 -0.54 0.00 0.00 174.62 175.14 1w2b n ALA 88 N 0.73 -0.11 -0.33 3.99 0.00 -1.26 -0.56 120.51 122.96 1w2b n ALA 88 Ca -0.07 0.51 0.11 0.00 0.00 0.00 0.00 53.44 53.99 1w2b n ALA 88 Cb 0.52 -0.21 0.22 0.00 0.00 0.00 0.00 19.45 19.99 1w2b n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1w2b n ALA 89 N -3.70 0.38 -0.52 0.00 0.00 -1.16 0.83 120.51 116.34 1w2b n ALA 89 Ca 0.05 1.02 -0.14 0.00 0.00 0.00 0.00 53.44 54.37 1w2b n ALA 89 Cb 0.20 -0.70 0.05 0.00 0.00 0.00 0.00 19.45 19.01 1w2b n ALA 89 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1w2b n HIS 90 N -5.45 1.42 -3.91 0.00 -0.00 0.27 -4.73 115.22 102.82 1w2b n HIS 90 Ca 0.20 -1.59 -0.10 0.00 -0.00 0.00 0.00 57.72 56.22 1w2b n HIS 90 Cb 0.63 -0.78 -0.10 0.00 -0.00 0.00 0.00 29.99 29.73 1w2b n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1w2b s LEU 91 N -1.62 1.79 -0.01 2.41 1.43 0.24 -2.90 118.68 120.03 1w2b s LEU 91 Ca 0.28 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1w2b s LEU 91 Cb 0.22 0.47 0.00 0.00 0.03 0.00 0.00 46.19 46.92 1w2b s LEU 91 CO 0.02 -0.34 -0.02 -0.13 0.23 0.00 0.00 176.35 176.10 1w2b s ARG 92 N -1.39 0.24 0.20 1.70 1.81 -0.87 -4.91 118.95 115.73 1w2b s ARG 92 Ca -0.15 -0.06 -0.30 0.00 -1.72 0.00 0.00 55.73 53.49 1w2b s ARG 92 Cb -0.08 -0.27 -0.09 0.00 -0.45 0.00 0.00 34.95 34.06 1w2b s ARG 92 CO 0.01 0.02 1.35 1.03 -0.68 0.00 0.00 175.30 177.03 1w2b s ARG 93 N 0.15 4.35 0.27 3.54 0.52 -1.26 0.60 118.95 127.12 1w2b s ARG 93 Ca -0.01 2.12 -0.29 0.00 -0.52 0.00 0.00 55.73 57.03 1w2b s ARG 93 Cb -0.04 -3.18 -0.09 0.00 0.52 0.00 0.00 34.95 32.16 1w2b s ARG 93 CO -0.00 -0.31 0.96 -1.14 0.02 0.00 0.00 175.30 174.83 1w2b s GLN 94 N -0.07 4.73 0.00 3.54 0.74 0.30 -4.80 119.66 124.10 1w2b s GLN 94 Ca 0.58 1.48 0.00 0.00 0.05 0.00 0.00 55.36 57.47 1w2b s GLN 94 Cb -0.38 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 30.63 1w2b s GLN 94 CO 0.39 0.39 0.00 -1.91 -0.55 0.00 0.00 175.29 173.61