#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj s LYS 3 N 0.00 -1.26 0.15 -1.58 1.02 -1.26 -5.04 119.74 111.76 2wrj s LYS 3 Ca 0.00 0.22 -0.01 0.00 0.02 0.00 0.00 55.97 56.20 2wrj s LYS 3 Cb 0.00 -1.57 0.03 0.00 -0.52 0.00 0.00 37.83 35.77 2wrj s LYS 3 CO 0.00 -3.80 0.20 0.28 -0.92 0.00 0.00 175.35 171.11 2wrj n VAL 4 N -4.87 0.00 -2.98 3.17 0.31 -1.26 -5.01 118.33 107.68 2wrj n VAL 4 Ca 0.10 -0.27 -0.04 0.00 -0.01 0.00 0.00 64.34 64.11 2wrj n VAL 4 Cb 0.58 -1.41 0.02 0.00 -0.91 0.00 0.00 33.84 32.12 2wrj n VAL 4 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2wrj n VAL 5 N -1.80 0.00 -3.64 2.52 0.24 -1.26 -4.78 118.33 109.61 2wrj n VAL 5 Ca 0.03 -0.42 -0.09 0.00 -2.04 0.00 0.00 64.34 61.82 2wrj n VAL 5 Cb 0.11 -0.91 -0.07 0.00 -1.47 0.00 0.00 33.84 31.50 2wrj n VAL 5 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wrj s ALA 6 N -2.18 -1.96 -0.60 2.33 0.00 -1.26 -4.98 121.76 113.11 2wrj s ALA 6 Ca 0.13 1.99 0.05 0.00 0.00 0.00 0.00 51.96 54.13 2wrj s ALA 6 Cb -0.01 -1.41 0.19 0.00 0.00 0.00 0.00 23.12 21.89 2wrj s ALA 6 CO 0.09 -0.28 0.52 1.55 0.00 0.00 0.00 175.76 177.63 2wrj n VAL 7 N 2.64 0.99 -2.27 0.00 3.14 -1.26 -3.44 118.33 118.13 2wrj n VAL 7 Ca -0.14 -4.57 -0.42 0.00 -2.96 0.00 0.00 64.34 56.26 2wrj n VAL 7 Cb 0.56 -2.04 -0.03 0.00 -1.06 0.00 0.00 33.84 31.27 2wrj n VAL 7 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2wrj s VAL 8 N -1.34 3.50 -0.70 1.55 1.01 -0.47 -4.89 120.40 119.07 2wrj s VAL 8 Ca 0.31 1.12 0.03 0.00 0.00 0.00 0.00 61.98 63.44 2wrj s VAL 8 Cb 0.03 -3.72 0.34 0.00 0.00 0.00 0.00 36.38 33.03 2wrj s VAL 8 CO -0.14 0.11 1.18 0.29 0.00 0.00 0.00 175.10 176.54 2wrj n LYS 9 N 3.52 3.82 0.00 2.72 5.02 -1.26 -1.20 118.16 130.77 2wrj n LYS 9 Ca 0.09 -4.81 0.00 0.00 -2.02 0.00 0.00 58.31 51.57 2wrj n LYS 9 Cb 0.44 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 2wrj n LYS 9 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wrj n LEU 10 N -0.20 0.00 -2.74 -0.35 4.77 -1.09 -4.94 117.00 112.45 2wrj n LEU 10 Ca 0.35 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.27 2wrj n LEU 10 Cb 0.36 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.49 2wrj n LEU 10 CO 0.39 -1.15 0.25 1.67 -1.33 0.00 0.00 177.39 177.21 2wrj n GLN 11 N -1.31 0.57 -3.67 3.23 -0.06 -1.26 -4.14 117.38 110.74 2wrj n GLN 11 Ca 0.00 -1.61 -0.37 0.00 -2.00 0.00 0.00 57.00 53.02 2wrj n GLN 11 Cb 0.00 -1.18 -0.06 0.00 -4.06 0.00 0.00 30.24 24.94 2wrj n GLN 11 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2wrj s LEU 12 N -0.03 4.37 0.00 1.69 1.43 -1.26 -4.98 118.68 119.91 2wrj s LEU 12 Ca 0.30 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 2wrj s LEU 12 Cb 0.15 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 44.07 2wrj s LEU 12 CO -0.16 0.30 0.00 -2.65 0.23 0.00 0.00 176.35 174.07 2wrj n PRO 13 N 2.40 -0.53 -3.39 1.29 -0.02 -1.26 -2.52 135.00 130.96 2wrj n PRO 13 Ca -0.16 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.89 2wrj n PRO 13 Cb 0.53 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.92 2wrj n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wrj s ALA 14 N -2.76 3.46 0.00 3.55 0.00 -1.24 -4.30 121.76 120.48 2wrj s ALA 14 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.28 2wrj s ALA 14 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.14 2wrj s ALA 14 CO 0.00 -1.55 0.00 0.41 0.00 0.00 0.00 175.76 174.62 2wrj n GLY 15 N 5.15 3.12 3.56 0.00 0.00 -1.26 -4.85 105.19 110.91 2wrj n GLY 15 Ca -0.10 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.85 2wrj n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wrj s LYS 16 N 0.00 2.13 -0.60 1.61 2.20 -1.26 -4.87 119.74 118.95 2wrj s LYS 16 Ca 0.00 -0.19 0.04 0.00 -0.36 0.00 0.00 55.97 55.47 2wrj s LYS 16 Cb 0.00 -5.00 0.15 0.00 -1.51 0.00 0.00 37.83 31.47 2wrj s LYS 16 CO 0.00 -3.98 0.37 0.00 -0.36 0.00 0.00 175.35 171.38 2wrj s ALA 17 N 12.27 3.47 -0.08 3.13 0.00 -1.26 -4.64 121.76 134.65 2wrj s ALA 17 Ca 0.78 -3.50 0.03 0.00 0.00 0.00 0.00 51.96 49.27 2wrj s ALA 17 Cb -0.08 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 2wrj s ALA 17 CO 0.05 -2.06 -0.18 0.95 0.00 0.00 0.00 175.76 174.53 2wrj s THR 18 N -0.80 2.71 -1.16 0.00 -4.23 -1.26 -4.83 115.64 106.07 2wrj s THR 18 Ca 0.21 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 2wrj s THR 18 Cb -0.16 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.62 2wrj s THR 18 CO -0.08 0.56 0.54 -0.81 -0.54 0.00 0.00 174.62 174.29 2wrj n PRO 19 N 2.94 0.00 -2.09 3.99 -0.04 -1.26 -4.64 135.00 133.89 2wrj n PRO 19 Ca -0.18 0.13 -0.41 0.00 -0.04 0.00 0.00 63.50 63.00 2wrj n PRO 19 Cb 0.52 -1.55 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 2wrj n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wrj s ALA 20 N -2.07 3.57 0.82 0.55 0.00 -1.26 -3.39 121.76 119.97 2wrj s ALA 20 Ca 0.00 1.25 -0.17 0.00 0.00 0.00 0.00 51.96 53.04 2wrj s ALA 20 Cb 0.00 -3.52 -0.14 0.00 0.00 0.00 0.00 23.12 19.46 2wrj s ALA 20 CO 0.00 -0.66 -0.48 -2.30 0.00 0.00 0.00 175.76 172.32 2wrj n PRO 21 N 2.03 0.01 0.00 0.00 -0.02 -1.26 -2.96 135.00 132.79 2wrj n PRO 21 Ca 0.05 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2wrj n PRO 21 Cb 0.41 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 2wrj n PRO 21 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2wrj n PRO 22 N 1.88 0.74 -0.37 0.52 -0.04 -1.26 -4.82 135.00 131.65 2wrj n PRO 22 Ca 0.02 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.56 2wrj n PRO 22 Cb 0.53 -1.35 0.25 0.00 -0.04 0.00 0.00 33.50 32.88 2wrj n PRO 22 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wrj n VAL 23 N 0.17 1.07 0.01 0.52 0.31 -1.16 -3.97 118.33 115.28 2wrj n VAL 23 Ca 0.00 -0.78 -0.03 0.00 -0.01 0.00 0.00 64.34 63.52 2wrj n VAL 23 Cb 0.20 0.15 -0.01 0.00 -0.91 0.00 0.00 33.84 33.27 2wrj n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wrj n GLY 24 N 1.08 -0.11 0.21 2.92 0.00 -1.22 -4.33 105.19 103.74 2wrj n GLY 24 Ca 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 2wrj n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wrj h PRO 25 N -0.17 0.33 0.00 1.61 0.13 -1.91 -0.36 132.00 131.64 2wrj h PRO 25 Ca -0.04 -0.15 -0.18 0.00 -0.87 0.00 0.00 66.00 64.76 2wrj h PRO 25 Cb 0.46 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 2wrj h PRO 25 CO -0.02 0.66 -1.45 0.00 -0.23 0.00 0.00 178.00 176.97 2wrj n ALA 26 N -2.48 1.89 -1.22 -0.56 0.00 -1.25 -4.06 120.51 112.82 2wrj n ALA 26 Ca -0.01 -0.56 -0.02 0.00 0.00 0.00 0.00 53.44 52.84 2wrj n ALA 26 Cb 0.47 -0.95 0.23 0.00 0.00 0.00 0.00 19.45 19.21 2wrj n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wrj n LEU 27 N -2.90 4.59 -0.00 0.00 4.32 -1.21 -4.21 117.00 117.59 2wrj n LEU 27 Ca -0.10 -3.42 0.10 0.00 -0.02 0.00 0.00 56.01 52.56 2wrj n LEU 27 Cb 0.86 -0.64 -0.13 0.00 -1.62 0.00 0.00 43.42 41.89 2wrj n LEU 27 CO 0.43 0.97 -0.15 0.61 -1.22 0.00 0.00 177.39 178.03 2wrj n GLY 28 N -0.78 -0.99 0.84 -0.72 0.00 -0.15 -3.77 105.19 99.63 2wrj n GLY 28 Ca 0.33 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.82 2wrj n GLY 28 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wrj n GLN 29 N -1.61 2.35 -0.02 1.61 6.02 -1.26 -4.47 117.38 120.00 2wrj n GLN 29 Ca 0.03 -2.91 -0.02 0.00 -0.01 0.00 0.00 57.00 54.09 2wrj n GLN 29 Cb 0.36 -1.78 -0.02 0.00 1.02 0.00 0.00 30.24 29.82 2wrj n GLN 29 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2wrj n HIS 30 N -0.84 0.00 -1.31 1.08 8.25 -1.25 -4.57 115.22 116.58 2wrj n HIS 30 Ca 0.24 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.64 2wrj n HIS 30 Cb 0.89 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.84 2wrj n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wrj n GLY 31 N 3.27 0.72 3.73 -1.41 0.00 -1.25 -4.19 105.19 106.06 2wrj n GLY 31 Ca -0.06 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 2wrj n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrj s ALA 32 N -2.23 3.84 -1.19 4.61 0.00 -1.26 -4.82 121.76 120.72 2wrj s ALA 32 Ca 0.00 1.54 -0.22 0.00 0.00 0.00 0.00 51.96 53.28 2wrj s ALA 32 Cb 0.00 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 2wrj s ALA 32 CO 0.00 -0.91 1.88 1.21 0.00 0.00 0.00 175.76 177.94 2wrj s ASN 33 N 0.91 5.45 0.00 0.00 3.84 -1.26 -4.71 114.94 119.17 2wrj s ASN 33 Ca 0.70 -1.77 0.00 0.00 0.21 0.00 0.00 52.86 52.00 2wrj s ASN 33 Cb -0.48 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 37.64 2wrj s ASN 33 CO 0.38 -2.63 0.41 2.30 -2.79 0.00 0.00 177.10 174.77 2wrj n ILE 34 N 7.49 0.00 -0.30 -5.21 -5.35 -1.26 -1.13 119.36 113.60 2wrj n ILE 34 Ca 0.45 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.93 2wrj n ILE 34 Cb 0.47 -0.92 0.00 0.00 -1.74 0.00 0.00 39.64 37.45 2wrj n ILE 34 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 2wrj n MET 35 N -0.91 -0.09 -0.96 6.28 2.81 -1.26 -4.59 117.12 118.40 2wrj n MET 35 Ca 0.00 -0.54 -0.05 0.00 -1.81 0.00 0.00 57.70 55.30 2wrj n MET 35 Cb 0.00 -0.85 0.29 0.00 -0.71 0.00 0.00 33.22 31.95 2wrj n MET 35 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2wrj n GLU 36 N -0.08 3.66 -0.02 0.03 4.07 -0.29 -3.91 120.64 124.12 2wrj n GLU 36 Ca 0.00 -2.88 -0.03 0.00 -0.06 0.00 0.00 57.16 54.19 2wrj n GLU 36 Cb 0.13 -2.17 -0.01 0.00 -0.06 0.00 0.00 31.44 29.33 2wrj n GLU 36 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2wrj n PHE 37 N -0.06 0.00 0.63 4.31 7.35 -1.26 -3.75 117.46 124.68 2wrj n PHE 37 Ca 0.38 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 57.10 2wrj n PHE 37 Cb 1.32 -0.12 0.17 0.00 0.35 0.00 0.00 39.48 41.20 2wrj n PHE 37 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2wrj n VAL 38 N -2.91 0.00 0.00 -2.13 0.31 -1.25 0.34 118.33 112.68 2wrj n VAL 38 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2wrj n VAL 38 Cb 0.55 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 2wrj n VAL 38 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wrj n LYS 39 N -0.78 0.00 0.15 5.55 4.01 -1.26 -4.34 118.16 121.49 2wrj n LYS 39 Ca 0.04 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.86 2wrj n LYS 39 Cb 0.02 -0.56 0.23 0.00 -0.51 0.00 0.00 35.03 34.21 2wrj n LYS 39 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wrj h ALA 40 N 0.00 0.98 -0.19 7.82 0.00 -1.59 -3.07 119.26 123.22 2wrj h ALA 40 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2wrj h ALA 40 Cb 0.82 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2wrj h ALA 40 CO 0.00 0.66 0.00 0.34 0.00 0.00 0.00 179.25 180.25 2wrj n PHE 41 N -3.70 0.00 0.00 0.00 7.35 0.15 -3.91 117.46 117.35 2wrj n PHE 41 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 2wrj n PHE 41 Cb 0.58 -0.39 0.00 0.00 0.35 0.00 0.00 39.48 40.02 2wrj n PHE 41 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2wrj n ASN 42 N -2.00 0.00 -0.09 -2.13 3.02 -1.24 0.08 115.26 112.90 2wrj n ASN 42 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 2wrj n ASN 42 Cb 0.00 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.05 2wrj n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wrj n ALA 43 N -0.55 1.18 0.03 5.41 0.00 -1.16 -2.77 120.51 122.66 2wrj n ALA 43 Ca 0.00 -0.90 -0.09 0.00 0.00 0.00 0.00 53.44 52.45 2wrj n ALA 43 Cb 0.00 -0.27 -0.13 0.00 0.00 0.00 0.00 19.45 19.05 2wrj n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrj h ALA 44 N -0.18 0.48 -0.58 0.00 0.00 -0.47 -3.29 119.26 115.22 2wrj h ALA 44 Ca -0.53 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.24 2wrj h ALA 44 Cb 1.84 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.76 2wrj h ALA 44 CO -0.10 1.35 0.00 0.25 0.00 0.00 0.00 179.25 180.75 2wrj n THR 45 N -3.26 2.60 0.78 0.00 -2.24 0.51 -3.79 114.28 108.87 2wrj n THR 45 Ca -0.08 -1.39 0.13 0.00 -2.27 0.00 0.00 64.05 60.44 2wrj n THR 45 Cb 0.99 -0.21 0.37 0.00 -2.10 0.00 0.00 70.33 69.39 2wrj n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wrj n ALA 46 N 0.68 2.70 -0.01 6.98 0.00 -1.11 -2.56 120.51 127.19 2wrj n ALA 46 Ca 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.54 2wrj n ALA 46 Cb 1.14 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 19.26 2wrj n ALA 46 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2wrj h ASN 47 N 0.00 -0.07 0.00 0.00 -0.00 -1.79 -3.41 115.58 110.31 2wrj h ASN 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2wrj h ASN 47 Cb 0.64 0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.97 2wrj h ASN 47 CO 0.00 0.39 0.00 0.23 -0.00 0.00 0.00 177.43 178.05 2wrj n MET 48 N -4.67 0.00 0.00 6.67 0.00 -1.24 -4.97 117.12 112.91 2wrj n MET 48 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 57.70 57.76 2wrj n MET 48 Cb 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 33.22 32.36 2wrj n MET 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wrj n GLY 49 N -0.46 3.22 0.00 3.03 0.00 -1.06 -5.05 105.19 104.87 2wrj n GLY 49 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2wrj n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wrj n ASP 50 N 0.00 0.00 -1.95 1.61 8.00 -1.26 -4.85 116.55 118.09 2wrj n ASP 50 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2wrj n ASP 50 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2wrj n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wrj n ALA 51 N -3.00 -1.81 -1.23 2.24 0.00 -1.26 -4.64 120.51 110.81 2wrj n ALA 51 Ca 0.00 0.41 -0.34 0.00 0.00 0.00 0.00 53.44 53.51 2wrj n ALA 51 Cb 0.00 -1.31 0.11 0.00 0.00 0.00 0.00 19.45 18.25 2wrj n ALA 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wrj s ILE 52 N -1.03 2.09 -0.29 0.00 1.01 -1.26 -3.71 121.20 118.01 2wrj s ILE 52 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 2wrj s ILE 52 Cb 0.00 -2.55 0.09 0.00 0.01 0.00 0.00 42.46 40.02 2wrj s ILE 52 CO 0.00 -0.03 0.10 -0.69 0.00 0.00 0.00 174.94 174.33 2wrj s VAL 53 N -2.03 0.44 0.85 2.92 1.01 -1.05 -4.26 120.40 118.28 2wrj s VAL 53 Ca 0.74 -1.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 2wrj s VAL 53 Cb -0.30 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 34.81 2wrj s VAL 53 CO 0.48 -0.64 0.59 -2.65 0.00 0.00 0.00 175.10 172.89 2wrj n PRO 54 N 5.04 -0.01 -3.58 2.72 -0.02 -1.26 -4.20 135.00 133.68 2wrj n PRO 54 Ca -0.04 0.05 -0.16 0.00 -2.02 0.00 0.00 63.50 61.32 2wrj n PRO 54 Cb 0.43 -1.95 -0.07 0.00 -0.02 0.00 0.00 33.50 31.89 2wrj n PRO 54 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wrj s VAL 55 N -2.19 0.00 -0.31 -1.45 0.11 -1.26 -2.84 120.40 112.46 2wrj s VAL 55 Ca 0.63 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.68 2wrj s VAL 55 Cb -0.27 -0.96 0.09 0.00 -1.53 0.00 0.00 36.38 33.71 2wrj s VAL 55 CO 0.61 -0.01 0.02 -0.70 -3.33 0.00 0.00 175.10 171.69 2wrj s GLU 56 N -0.53 1.53 -0.39 1.54 2.12 -0.63 -2.68 118.70 119.65 2wrj s GLU 56 Ca -0.06 -1.58 -0.19 0.00 0.36 0.00 0.00 54.97 53.50 2wrj s GLU 56 Cb -0.02 -2.92 0.01 0.00 0.26 0.00 0.00 34.13 31.46 2wrj s GLU 56 CO 0.06 -0.84 0.54 0.42 -0.54 0.00 0.00 175.26 174.89 2wrj s ILE 57 N 1.09 4.97 -0.18 -3.70 1.09 -0.34 -2.22 121.20 121.90 2wrj s ILE 57 Ca 0.05 0.11 -0.06 0.00 -1.10 0.00 0.00 60.65 59.66 2wrj s ILE 57 Cb -0.19 -4.06 -0.03 0.00 -1.06 0.00 0.00 42.46 37.12 2wrj s ILE 57 CO -0.10 -0.38 0.02 -0.89 -0.10 0.00 0.00 174.94 173.49 2wrj s THR 58 N 2.47 4.30 0.35 2.92 2.01 0.22 -1.37 115.64 126.54 2wrj s THR 58 Ca 0.18 -0.20 0.06 0.00 0.31 0.00 0.00 61.69 62.04 2wrj s THR 58 Cb -0.15 -2.93 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 2wrj s THR 58 CO 0.15 0.45 0.49 -0.51 -0.69 0.00 0.00 174.62 174.51 2wrj s ILE 59 N 0.62 4.08 0.00 1.82 2.07 -1.22 -1.05 121.20 127.51 2wrj s ILE 59 Ca 0.01 -0.94 0.00 0.00 -1.41 0.00 0.00 60.65 58.31 2wrj s ILE 59 Cb -0.14 -3.42 0.00 0.00 0.13 0.00 0.00 42.46 39.03 2wrj s ILE 59 CO 0.02 -0.18 0.00 -1.22 -1.91 0.00 0.00 174.94 171.65 2wrj n TYR 60 N -1.69 0.00 -0.08 3.50 4.01 -0.85 -4.21 117.16 117.84 2wrj n TYR 60 Ca -0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 2wrj n TYR 60 Cb 0.58 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.58 2wrj n TYR 60 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wrj n ALA 61 N -3.00 0.69 0.00 -0.72 0.00 -1.26 -4.39 120.51 111.82 2wrj n ALA 61 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2wrj n ALA 61 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2wrj n ALA 61 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wrj n ASP 62 N -4.53 0.00 -1.22 0.00 5.75 -1.26 -4.69 116.55 110.60 2wrj n ASP 62 Ca -0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.61 2wrj n ASP 62 Cb 0.41 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.52 2wrj n ASP 62 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wrj n ARG 63 N -0.60 -1.81 -4.32 0.11 1.74 -1.26 -5.08 116.66 105.44 2wrj n ARG 63 Ca 0.00 0.19 -0.25 0.00 -0.77 0.00 0.00 57.85 57.02 2wrj n ARG 63 Cb 0.00 -3.27 -0.09 0.00 -1.02 0.00 0.00 32.46 28.08 2wrj n ARG 63 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2wrj s SER 64 N -3.08 4.24 0.53 0.55 1.04 -1.26 -4.65 113.70 111.07 2wrj s SER 64 Ca 0.13 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2wrj s SER 64 Cb -0.06 -0.70 -0.00 0.00 0.10 0.00 0.00 66.02 65.36 2wrj s SER 64 CO 0.17 0.06 0.00 0.72 0.98 0.00 0.00 173.24 175.17 2wrj s PHE 65 N -2.00 1.75 0.13 5.02 -0.00 -1.26 -2.01 117.98 119.60 2wrj s PHE 65 Ca 0.27 -1.01 -0.24 0.00 -0.00 0.00 0.00 56.93 55.95 2wrj s PHE 65 Cb -0.08 -1.58 0.08 0.00 -0.00 0.00 0.00 43.02 41.44 2wrj s PHE 65 CO 0.16 0.19 0.67 -0.08 -0.00 0.00 0.00 175.22 176.16 2wrj s THR 66 N -2.91 0.00 -0.29 -4.49 -1.32 -0.21 -4.94 115.64 101.47 2wrj s THR 66 Ca 0.01 -0.02 -0.15 0.00 -1.21 0.00 0.00 61.69 60.31 2wrj s THR 66 Cb 0.00 -1.02 0.15 0.00 -1.51 0.00 0.00 72.50 70.12 2wrj s THR 66 CO 0.00 0.00 0.97 0.72 -2.21 0.00 0.00 174.62 174.10 2wrj s PHE 67 N -3.61 -0.65 -0.07 9.09 -0.71 -1.25 0.71 117.98 121.48 2wrj s PHE 67 Ca 0.02 1.21 0.02 0.00 -1.04 0.00 0.00 56.93 57.14 2wrj s PHE 67 Cb -0.01 0.39 -0.02 0.00 -1.21 0.00 0.00 43.02 42.17 2wrj s PHE 67 CO -0.12 -0.32 -0.12 0.08 -1.34 0.00 0.00 175.22 173.40 2wrj s VAL 68 N 1.92 3.21 0.04 -2.49 1.01 -0.94 -4.86 120.40 118.28 2wrj s VAL 68 Ca -0.06 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2wrj s VAL 68 Cb -0.05 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 2wrj s VAL 68 CO -0.16 0.57 0.01 0.42 0.00 0.00 0.00 175.10 175.94 2wrj s THR 69 N -0.48 4.13 0.00 3.92 -4.23 -1.26 -1.60 115.64 116.12 2wrj s THR 69 Ca 0.06 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 2wrj s THR 69 Cb -0.12 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.82 2wrj s THR 69 CO 0.02 0.26 0.00 0.29 -0.54 0.00 0.00 174.62 174.65 2wrj n LYS 70 N 1.00 1.33 -2.94 3.99 4.01 -1.13 -5.00 118.16 119.42 2wrj n LYS 70 Ca -0.13 0.00 -0.26 0.00 -0.51 0.00 0.00 58.31 57.42 2wrj n LYS 70 Cb 0.52 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 35.04 2wrj n LYS 70 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2wrj s THR 71 N 0.59 4.99 0.37 -0.18 -4.23 -1.26 -4.57 115.64 111.35 2wrj s THR 71 Ca 0.00 -0.08 -0.25 0.00 -1.18 0.00 0.00 61.69 60.18 2wrj s THR 71 Cb 0.00 -3.86 -0.09 0.00 1.34 0.00 0.00 72.50 69.89 2wrj s THR 71 CO 0.00 -0.73 1.08 -2.16 -0.54 0.00 0.00 174.62 172.27 2wrj s PRO 72 N -4.57 4.26 0.07 3.99 0.04 -1.26 -4.59 135.00 132.94 2wrj s PRO 72 Ca 0.44 1.62 -0.19 0.00 0.04 0.00 0.00 61.00 62.92 2wrj s PRO 72 Cb -0.10 -2.71 -0.10 0.00 0.04 0.00 0.00 34.50 31.62 2wrj s PRO 72 CO 0.41 -0.08 0.43 -2.30 0.04 0.00 0.00 177.00 175.50 2wrj n PRO 73 N 0.25 0.00 0.00 0.56 -0.02 -1.26 -4.72 135.00 129.80 2wrj n PRO 73 Ca 0.03 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.52 2wrj n PRO 73 Cb 0.48 -0.69 0.04 0.00 -0.02 0.00 0.00 33.50 33.31 2wrj n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wrj n ALA 74 N 0.37 1.08 1.27 3.55 0.00 -1.26 -0.21 120.51 125.31 2wrj n ALA 74 Ca 0.11 -0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.67 2wrj n ALA 74 Cb 0.10 -1.03 0.39 0.00 0.00 0.00 0.00 19.45 18.91 2wrj n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wrj n SER 75 N -1.50 1.12 -0.01 0.00 2.88 -1.26 -4.19 113.62 110.65 2wrj n SER 75 Ca 0.00 -0.99 -0.00 0.00 -1.33 0.00 0.00 58.87 56.55 2wrj n SER 75 Cb 0.02 0.12 -0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2wrj n SER 75 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2wrj h TYR 76 N 1.41 0.00 -0.34 0.66 3.20 -0.88 -3.25 116.97 117.77 2wrj h TYR 76 Ca 0.00 0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.97 2wrj h TYR 76 Cb 0.51 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 2wrj h TYR 76 CO 0.00 0.00 0.54 1.37 -1.64 0.00 0.00 178.16 178.43 2wrj h LEU 77 N -0.24 0.00 0.00 2.82 -0.00 -1.78 0.59 115.31 116.71 2wrj h LEU 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2wrj h LEU 77 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 2wrj h LEU 77 CO 0.00 0.00 -0.21 -0.29 -0.00 0.00 0.00 178.44 177.94 2wrj h ILE 78 N 0.00 0.00 0.06 0.15 2.10 -1.73 -2.84 117.51 115.25 2wrj h ILE 78 Ca 0.16 -0.66 -0.27 0.00 1.08 0.00 0.00 64.86 65.17 2wrj h ILE 78 Cb 1.24 1.53 -0.02 0.00 -1.09 0.00 0.00 36.82 38.48 2wrj h ILE 78 CO -0.00 0.00 -1.38 0.03 -1.08 0.00 0.00 178.15 175.72 2wrj h ARG 79 N 0.00 0.12 0.02 2.19 3.08 0.17 -3.31 114.38 116.66 2wrj h ARG 79 Ca 0.00 -0.21 -0.23 0.00 0.07 0.00 0.00 59.98 59.62 2wrj h ARG 79 Cb 0.83 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 2wrj h ARG 79 CO 0.00 0.96 -1.08 1.57 -1.07 0.00 0.00 179.97 180.35 2wrj h LYS 80 N 0.03 0.05 -1.92 0.04 2.10 -1.62 0.49 116.57 115.74 2wrj h LYS 80 Ca -0.17 -0.08 -0.21 0.00 -2.00 0.00 0.00 60.65 58.19 2wrj h LYS 80 Cb 1.93 0.03 -0.08 0.00 -0.90 0.00 0.00 32.23 33.22 2wrj h LYS 80 CO 0.14 1.01 -0.01 0.00 -2.00 0.00 0.00 179.45 178.59 2wrj n ALA 81 N -2.39 5.47 -0.18 0.07 0.00 -1.07 -2.98 120.51 119.43 2wrj n ALA 81 Ca -0.02 -1.46 0.00 0.00 0.00 0.00 0.00 53.44 51.95 2wrj n ALA 81 Cb 0.96 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2wrj n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrj n ALA 82 N 1.57 0.06 -2.05 0.00 0.00 -1.25 -4.54 120.51 114.30 2wrj n ALA 82 Ca 0.29 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.60 2wrj n ALA 82 Cb 0.68 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.11 2wrj n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrj n GLY 83 N 0.00 0.19 4.00 0.00 0.00 -1.16 -4.55 105.19 103.67 2wrj n GLY 83 Ca 0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 2wrj n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wrj s LEU 84 N -3.63 3.68 0.16 0.99 1.43 0.17 -5.03 118.68 116.46 2wrj s LEU 84 Ca 0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2wrj s LEU 84 Cb 0.00 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.60 2wrj s LEU 84 CO 0.00 -0.70 0.00 -0.62 0.23 0.00 0.00 176.35 175.26 2wrj n GLU 85 N -1.79 0.00 -3.70 1.70 1.02 -1.26 -4.24 120.64 112.36 2wrj n GLU 85 Ca 0.06 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.00 2wrj n GLU 85 Cb 0.59 -0.12 -0.03 0.00 -0.02 0.00 0.00 31.44 31.87 2wrj n GLU 85 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2wrj s LYS 86 N -2.00 2.79 0.00 3.49 0.00 -1.26 -5.00 119.74 117.76 2wrj s LYS 86 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 55.97 54.71 2wrj s LYS 86 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 37.83 35.29 2wrj s LYS 86 CO 0.00 0.05 0.00 0.41 0.00 0.00 0.00 175.35 175.81 2wrj n GLY 87 N -1.45 -1.98 0.28 0.59 0.00 -1.26 -4.92 105.19 96.45 2wrj n GLY 87 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2wrj n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrj n ALA 88 N -3.00 1.47 0.00 4.61 0.00 -1.08 -4.82 120.51 117.70 2wrj n ALA 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wrj n ALA 88 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wrj n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wrj n HIS 89 N 0.00 0.00 -3.88 0.00 8.25 -1.26 -4.34 115.22 113.99 2wrj n HIS 89 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 2wrj n HIS 89 Cb 0.46 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.43 2wrj n HIS 89 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2wrj s LYS 90 N 0.00 1.88 0.67 -0.41 1.02 -1.26 -5.09 119.74 116.55 2wrj s LYS 90 Ca 0.00 -2.59 -0.17 0.00 0.02 0.00 0.00 55.97 53.23 2wrj s LYS 90 Cb 0.00 -3.09 -0.05 0.00 -0.52 0.00 0.00 37.83 34.18 2wrj s LYS 90 CO 0.00 -1.15 0.60 -2.30 -0.92 0.00 0.00 175.35 171.58 2wrj n PRO 91 N 3.02 0.42 0.00 -1.68 -0.02 -1.26 -3.74 135.00 131.75 2wrj n PRO 91 Ca 0.08 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2wrj n PRO 91 Cb 0.33 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2wrj n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wrj n GLY 92 N 1.61 2.04 0.16 -1.23 0.00 -1.26 -4.65 105.19 101.86 2wrj n GLY 92 Ca 0.11 -0.45 0.01 0.00 0.00 0.00 0.00 46.02 45.68 2wrj n GLY 92 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wrj h ARG 93 N 0.00 0.00 -4.79 1.61 1.12 -1.98 -3.42 114.38 106.92 2wrj h ARG 93 Ca 0.00 0.00 -0.68 0.00 -1.11 0.00 0.00 59.98 58.19 2wrj h ARG 93 Cb 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 29.97 29.64 2wrj h ARG 93 CO 0.00 0.50 -0.69 -2.00 -3.11 0.00 0.00 179.97 174.67 2wrj s GLU 94 N -3.84 2.58 -0.15 0.20 2.12 -1.25 -5.09 118.70 113.28 2wrj s GLU 94 Ca -0.02 -1.17 -0.14 0.00 0.36 0.00 0.00 54.97 54.01 2wrj s GLU 94 Cb 0.13 -3.18 -0.05 0.00 0.26 0.00 0.00 34.13 31.29 2wrj s GLU 94 CO 0.74 -0.57 0.30 0.15 -0.54 0.00 0.00 175.26 175.34 2wrj s LYS 95 N 1.30 4.21 0.00 4.30 3.01 -1.26 -4.73 119.74 126.57 2wrj s LYS 95 Ca -0.03 0.11 0.02 0.00 -1.01 0.00 0.00 55.97 55.06 2wrj s LYS 95 Cb -0.19 -3.40 0.02 0.00 -1.01 0.00 0.00 37.83 33.24 2wrj s LYS 95 CO -0.01 0.28 0.57 0.28 0.51 0.00 0.00 175.35 176.99 2wrj n VAL 96 N 3.41 0.02 -0.45 3.17 0.31 -1.24 -5.07 118.33 118.48 2wrj n VAL 96 Ca -0.12 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 2wrj n VAL 96 Cb 0.52 1.03 0.00 0.00 -0.91 0.00 0.00 33.84 34.48 2wrj n VAL 96 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wrj n GLY 97 N 0.11 -1.16 3.56 2.92 0.00 -1.26 -4.89 105.19 104.46 2wrj n GLY 97 Ca 0.01 -0.99 -0.07 0.00 0.00 0.00 0.00 46.02 44.97 2wrj n GLY 97 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wrj s ARG 98 N -1.71 0.93 -0.03 1.61 1.70 -1.26 -3.93 118.95 116.25 2wrj s ARG 98 Ca 0.00 -0.39 0.03 0.00 -0.47 0.00 0.00 55.73 54.89 2wrj s ARG 98 Cb 0.00 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 2wrj s ARG 98 CO 0.00 -0.41 -0.10 0.42 -1.08 0.00 0.00 175.30 174.12 2wrj s ILE 99 N -3.19 0.91 1.15 4.99 -1.09 -1.10 -4.62 121.20 118.25 2wrj s ILE 99 Ca 0.06 -0.41 -0.18 0.00 -2.23 0.00 0.00 60.65 57.89 2wrj s ILE 99 Cb -0.01 -0.81 0.26 0.00 -1.58 0.00 0.00 42.46 40.32 2wrj s ILE 99 CO -0.07 0.28 1.11 0.42 -1.23 0.00 0.00 174.94 175.46 2wrj s THR 100 N 0.27 1.70 -0.03 2.92 -4.23 -1.26 0.21 115.64 115.21 2wrj s THR 100 Ca -0.05 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 60.76 2wrj s THR 100 Cb -0.10 -2.50 0.31 0.00 1.34 0.00 0.00 72.50 71.55 2wrj s THR 100 CO 0.01 0.00 1.90 -0.50 -0.54 0.00 0.00 174.62 175.49 2wrj h TRP 101 N -2.41 0.00 0.00 3.99 4.06 -1.54 -2.83 115.95 117.22 2wrj h TRP 101 Ca -0.47 0.00 -0.39 0.00 2.06 0.00 0.00 58.89 60.09 2wrj h TRP 101 Cb 1.30 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 29.39 2wrj h TRP 101 CO -1.56 0.00 -2.46 -0.85 -3.56 0.00 0.00 178.44 170.01 2wrj n GLU 102 N -2.61 0.66 0.19 0.49 0.28 -1.26 -3.78 120.64 114.60 2wrj n GLU 102 Ca -0.00 0.14 0.14 0.00 -0.16 0.00 0.00 57.16 57.28 2wrj n GLU 102 Cb 0.16 -1.53 0.67 0.00 1.43 0.00 0.00 31.44 32.17 2wrj n GLU 102 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 2wrj h GLN 103 N 0.00 0.00 0.05 3.44 4.20 -1.86 0.30 115.11 121.24 2wrj h GLN 103 Ca -0.57 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 57.81 2wrj h GLN 103 Cb 1.92 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.67 2wrj h GLN 103 CO -0.08 0.00 -1.85 1.55 -0.67 0.00 0.00 178.83 177.78 2wrj n VAL 104 N -2.44 1.67 1.39 -0.54 3.14 -1.09 -3.45 118.33 117.00 2wrj n VAL 104 Ca -0.01 -0.74 0.15 0.00 -2.96 0.00 0.00 64.34 60.78 2wrj n VAL 104 Cb 0.11 -1.28 0.71 0.00 -1.06 0.00 0.00 33.84 32.32 2wrj n VAL 104 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2wrj n LEU 105 N -3.20 0.10 -0.05 6.55 0.00 0.05 -2.23 117.00 118.22 2wrj n LEU 105 Ca -0.23 0.24 -0.15 0.00 0.00 0.00 0.00 56.01 55.87 2wrj n LEU 105 Cb 1.05 -0.28 -0.14 0.00 0.00 0.00 0.00 43.42 44.05 2wrj n LEU 105 CO 0.44 0.02 -0.90 -1.84 0.00 0.00 0.00 177.39 175.10 2wrj n GLU 106 N -1.24 0.69 0.01 1.96 0.28 0.84 -4.25 120.64 118.92 2wrj n GLU 106 Ca 0.14 0.20 -0.18 0.00 -0.16 0.00 0.00 57.16 57.15 2wrj n GLU 106 Cb 0.26 -1.66 -0.08 0.00 1.43 0.00 0.00 31.44 31.38 2wrj n GLU 106 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2wrj h ILE 107 N 0.02 1.28 0.00 3.84 2.04 -1.56 -2.95 117.51 120.18 2wrj h ILE 107 Ca -0.44 -2.09 0.00 0.00 1.00 0.00 0.00 64.86 63.33 2wrj h ILE 107 Cb 2.04 2.15 0.00 0.00 -0.74 0.00 0.00 36.82 40.27 2wrj h ILE 107 CO 0.04 0.66 0.04 0.00 0.00 0.00 0.00 178.15 178.88 2wrj n ALA 108 N -2.62 0.94 0.06 1.87 0.00 -0.95 0.07 120.51 119.88 2wrj n ALA 108 Ca -0.09 0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 2wrj n ALA 108 Cb 0.81 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.11 2wrj n ALA 108 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wrj h LYS 109 N 0.00 0.35 0.00 0.00 1.57 -1.70 -2.51 116.57 114.29 2wrj h LYS 109 Ca 0.00 -0.60 -0.03 0.00 -1.87 0.00 0.00 60.65 58.15 2wrj h LYS 109 Cb 0.07 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2wrj h LYS 109 CO 0.00 1.27 -0.16 0.37 -0.57 0.00 0.00 179.45 180.36 2wrj h GLN 110 N 0.10 0.00 0.00 3.15 4.15 -0.39 -3.10 115.11 119.02 2wrj h GLN 110 Ca -0.35 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.07 2wrj h GLN 110 Cb 2.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.77 2wrj h GLN 110 CO 0.16 0.16 -0.08 1.63 -1.93 0.00 0.00 178.83 178.77 2wrj n LYS 111 N -3.96 1.35 0.27 1.69 5.02 -1.05 -4.76 118.16 116.71 2wrj n LYS 111 Ca -0.02 -1.98 0.14 0.00 -2.02 0.00 0.00 58.31 54.43 2wrj n LYS 111 Cb 0.25 -1.18 0.73 0.00 -0.02 0.00 0.00 35.03 34.82 2wrj n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wrj h MET 112 N 0.00 0.00 -1.11 1.97 -0.00 -1.36 -2.85 114.93 111.58 2wrj h MET 112 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 59.70 59.43 2wrj h MET 112 Cb 0.96 0.00 -0.15 0.00 -0.00 0.00 0.00 31.60 32.41 2wrj h MET 112 CO 0.00 0.10 0.34 -0.35 -0.00 0.00 0.00 176.91 177.00 2wrj n PRO 113 N -3.43 1.65 0.09 -0.10 -0.04 -1.26 -4.30 135.00 127.61 2wrj n PRO 113 Ca -0.01 -1.47 0.00 0.00 -0.04 0.00 0.00 63.50 61.97 2wrj n PRO 113 Cb 0.26 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 2wrj n PRO 113 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wrj n ASP 114 N -0.15 0.10 0.00 3.54 8.00 -1.08 -5.06 116.55 121.91 2wrj n ASP 114 Ca 0.29 0.32 0.00 0.00 0.71 0.00 0.00 54.79 56.11 2wrj n ASP 114 Cb 0.96 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 42.24 2wrj n ASP 114 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wrj n LEU 115 N -3.29 0.00 0.00 0.64 4.77 -1.23 -4.99 117.00 112.90 2wrj n LEU 115 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2wrj n LEU 115 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2wrj n LEU 115 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 172.86 2wrj n ASN 116 N 0.00 0.00 -4.73 -1.43 2.85 -1.26 -5.14 115.26 105.55 2wrj n ASN 116 Ca 0.00 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.15 2wrj n ASN 116 Cb 0.00 0.10 0.11 0.00 1.24 0.00 0.00 39.78 41.23 2wrj n ASN 116 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2wrj s THR 117 N -1.28 2.69 -0.31 -0.44 -4.23 -1.26 -4.96 115.64 105.86 2wrj s THR 117 Ca 0.00 0.26 0.07 0.00 -1.18 0.00 0.00 61.69 60.84 2wrj s THR 117 Cb 0.00 -2.61 0.46 0.00 1.34 0.00 0.00 72.50 71.69 2wrj s THR 117 CO 0.00 -0.26 1.25 0.35 -0.54 0.00 0.00 174.62 175.43 2wrj n THR 118 N -3.45 2.57 -2.00 3.99 -2.24 -1.26 -4.95 114.28 106.93 2wrj n THR 118 Ca 0.11 -4.01 0.00 0.00 -2.27 0.00 0.00 64.05 57.88 2wrj n THR 118 Cb 0.52 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 2wrj n THR 118 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2wrj n ASP 119 N -0.77 0.00 0.00 3.42 8.00 -1.26 -5.08 116.55 120.86 2wrj n ASP 119 Ca 0.42 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.92 2wrj n ASP 119 Cb 0.92 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 2wrj n ASP 119 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wrj n LEU 120 N 0.00 0.00 0.23 0.64 4.77 -1.26 -4.35 117.00 117.03 2wrj n LEU 120 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2wrj n LEU 120 Cb 0.00 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.51 2wrj n LEU 120 CO 0.00 0.00 0.83 -0.33 -1.33 0.00 0.00 177.39 176.56 2wrj h GLU 121 N 0.00 0.00 0.00 3.23 3.07 -1.98 0.12 114.58 119.02 2wrj h GLU 121 Ca 0.00 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.52 2wrj h GLU 121 Cb 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.86 2wrj h GLU 121 CO 0.00 0.12 -2.06 0.00 -1.40 0.00 0.00 179.01 175.67 2wrj n ALA 122 N -2.15 1.07 0.04 3.43 0.00 -1.26 -4.19 120.51 117.46 2wrj n ALA 122 Ca 0.01 -0.97 -0.11 0.00 0.00 0.00 0.00 53.44 52.37 2wrj n ALA 122 Cb 0.45 0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 2wrj n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrj h ALA 123 N -0.95 -0.27 -0.62 0.00 0.00 -1.75 -1.89 119.26 113.77 2wrj h ALA 123 Ca -0.51 0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.56 2wrj h ALA 123 Cb 1.43 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 2wrj h ALA 123 CO -0.31 -0.72 0.43 0.00 0.00 0.00 0.00 179.25 178.65 2wrj h ALA 124 N 0.55 2.33 -0.05 0.00 0.00 -1.01 0.99 119.26 122.08 2wrj h ALA 124 Ca 0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2wrj h ALA 124 Cb 0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2wrj h ALA 124 CO -0.24 -0.50 -0.29 0.00 0.00 0.00 0.00 179.25 178.22 2wrj h ARG 125 N 0.18 0.09 0.00 0.00 3.08 -1.51 0.60 114.38 116.82 2wrj h ARG 125 Ca 0.30 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 2wrj h ARG 125 Cb 0.93 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 2wrj h ARG 125 CO -0.05 0.37 -0.13 0.52 -1.07 0.00 0.00 179.97 179.61 2wrj h MET 126 N 0.08 0.00 0.07 0.04 2.86 -0.67 0.50 114.93 117.81 2wrj h MET 126 Ca 0.01 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.42 2wrj h MET 126 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 2wrj h MET 126 CO 0.04 0.13 -1.21 0.82 1.06 0.00 0.00 176.91 177.76 2wrj h ILE 127 N 0.00 1.08 0.00 -1.22 1.08 -0.89 -3.07 117.51 114.49 2wrj h ILE 127 Ca -0.00 -2.33 -0.00 0.00 -0.39 0.00 0.00 64.86 62.14 2wrj h ILE 127 Cb 0.50 2.65 -0.00 0.00 -3.07 0.00 0.00 36.82 36.90 2wrj h ILE 127 CO 0.02 0.59 -0.01 0.00 -0.69 0.00 0.00 178.15 178.06 2wrj h ALA 128 N -0.16 1.02 0.18 1.87 0.00 0.47 -1.21 119.26 121.43 2wrj h ALA 128 Ca -0.28 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.34 2wrj h ALA 128 Cb 1.54 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.36 2wrj h ALA 128 CO -0.03 0.01 -1.21 0.78 0.00 0.00 0.00 179.25 178.80 2wrj h GLY 129 N 0.90 0.56 0.69 0.00 0.00 -0.09 -3.05 103.07 102.08 2wrj h GLY 129 Ca -0.00 -1.35 0.00 0.00 0.00 0.00 0.00 47.33 45.98 2wrj h GLY 129 CO 0.00 1.18 0.00 1.44 0.00 0.00 0.00 176.54 179.16 2wrj n SER 130 N -3.87 0.00 0.04 0.19 7.64 -0.49 -2.82 113.62 114.30 2wrj n SER 130 Ca -0.15 -0.67 -0.06 0.00 1.01 0.00 0.00 58.87 59.00 2wrj n SER 130 Cb 0.98 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 64.15 2wrj n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wrj h ALA 131 N 2.70 -0.20 0.00 -0.43 0.00 -1.34 -3.24 119.26 116.75 2wrj h ALA 131 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wrj h ALA 131 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2wrj h ALA 131 CO 0.00 -0.20 0.00 0.54 0.00 0.00 0.00 179.25 179.59 2wrj n ARG 132 N -4.89 0.82 0.12 0.00 1.74 -1.13 -0.72 116.66 112.59 2wrj n ARG 132 Ca -0.04 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.10 2wrj n ARG 132 Cb 0.16 -1.25 0.02 0.00 -1.02 0.00 0.00 32.46 30.36 2wrj n ARG 132 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2wrj h SER 133 N 0.00 0.00 0.00 0.55 0.02 -1.57 -3.35 113.55 109.20 2wrj h SER 133 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wrj h SER 133 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2wrj h SER 133 CO 0.00 0.28 -0.15 1.15 -1.14 0.00 0.00 176.83 176.97 2wrj n MET 134 N -2.95 0.98 -3.30 3.45 0.00 -1.00 -4.84 117.12 109.47 2wrj n MET 134 Ca -0.01 -1.43 -0.16 0.00 0.00 0.00 0.00 57.70 56.10 2wrj n MET 134 Cb 0.67 -0.88 0.08 0.00 0.00 0.00 0.00 33.22 33.09 2wrj n MET 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wrj n GLY 135 N -0.50 -0.39 2.67 3.17 0.00 -0.77 -2.63 105.19 106.74 2wrj n GLY 135 Ca 0.04 0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 2wrj n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrj s VAL 136 N -3.34 1.53 0.80 1.61 0.11 0.10 -3.72 120.40 117.50 2wrj s VAL 136 Ca 0.05 -3.12 -0.16 0.00 -2.93 0.00 0.00 61.98 55.83 2wrj s VAL 136 Cb -0.01 -2.04 -0.07 0.00 -1.53 0.00 0.00 36.38 32.74 2wrj s VAL 136 CO 0.68 -1.03 0.09 -1.84 -3.33 0.00 0.00 175.10 169.66 2wrj n GLU 137 N 2.84 0.06 -3.58 1.54 0.28 -1.25 -4.57 120.64 115.96 2wrj n GLU 137 Ca 0.19 0.05 -0.39 0.00 -0.16 0.00 0.00 57.16 56.84 2wrj n GLU 137 Cb 0.39 -1.51 -0.11 0.00 1.43 0.00 0.00 31.44 31.64 2wrj n GLU 137 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2wrj s VAL 138 N -2.05 5.14 0.10 3.84 1.01 -1.26 -2.72 120.40 124.46 2wrj s VAL 138 Ca 0.56 -0.12 -0.32 0.00 0.00 0.00 0.00 61.98 62.10 2wrj s VAL 138 Cb -0.30 -3.56 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 2wrj s VAL 138 CO 0.67 0.10 1.81 0.52 0.00 0.00 0.00 175.10 178.20 2wrj n VAL 139 N 5.06 0.35 -4.24 2.92 0.31 0.56 -4.87 118.33 118.42 2wrj n VAL 139 Ca -0.13 -0.06 -0.16 0.00 -0.01 0.00 0.00 64.34 63.98 2wrj n VAL 139 Cb 0.50 -2.01 -0.09 0.00 -0.91 0.00 0.00 33.84 31.33 2wrj n VAL 139 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2wrj s GLY 140 N 2.66 1.88 0.00 2.92 0.00 -1.26 -1.31 107.32 112.21 2wrj s GLY 140 Ca 0.83 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 43.67 2wrj s GLY 140 CO 0.39 -1.42 0.00 0.00 0.00 0.00 0.00 173.10 172.08