#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jow s ALA 2 N 0.00 -1.36 0.60 3.04 0.00 -1.26 -4.93 121.76 117.84 2jow s ALA 2 Ca 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 51.96 52.06 2jow s ALA 2 Cb 0.00 0.86 0.01 0.00 0.00 0.00 0.00 23.12 23.99 2jow s ALA 2 CO 0.00 -0.83 0.91 0.95 0.00 0.00 0.00 175.76 176.80 2jow s THR 3 N -3.81 3.60 -0.82 0.00 -4.23 -1.26 -4.93 115.64 104.19 2jow s THR 3 Ca 0.05 0.02 0.02 0.00 -1.18 0.00 0.00 61.69 60.60 2jow s THR 3 Cb -0.02 -3.44 0.02 0.00 1.34 0.00 0.00 72.50 70.41 2jow s THR 3 CO -0.07 -0.46 1.03 -2.65 -0.54 0.00 0.00 174.62 171.94 2jow n PRO 4 N -2.61 0.02 -0.00 3.99 -0.02 -1.26 -2.61 135.00 132.50 2jow n PRO 4 Ca 0.05 0.48 -0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2jow n PRO 4 Cb 0.58 -1.60 -0.01 0.00 -0.02 0.00 0.00 33.50 32.45 2jow n PRO 4 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2jow n TRP 5 N -1.55 0.00 0.24 6.00 4.27 -1.26 -4.71 117.44 120.43 2jow n TRP 5 Ca -0.00 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.72 2jow n TRP 5 Cb 0.05 -0.06 0.55 0.00 -1.36 0.00 0.00 31.31 30.49 2jow n TRP 5 CO 0.00 0.00 0.00 0.66 -2.29 0.00 0.00 177.69 176.06 2jow h SER 6 N 0.00 0.00 0.22 -0.67 4.64 -1.88 0.26 113.55 116.12 2jow h SER 6 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2jow h SER 6 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2jow h SER 6 CO 0.00 0.18 -0.20 0.61 -0.87 0.00 0.00 176.83 176.55 2jow n GLY 7 N -0.06 -0.58 0.16 -0.77 0.00 -1.21 -4.19 105.19 98.55 2jow n GLY 7 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2jow n GLY 7 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jow n TYR 8 N -0.59 0.00 -0.33 1.61 4.01 -1.07 -5.01 117.16 115.77 2jow n TYR 8 Ca 0.13 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.82 2jow n TYR 8 Cb 0.34 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.35 2jow n TYR 8 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2jow h LEU 9 N 0.00 -1.58 0.00 7.72 5.85 -1.11 -1.82 115.31 124.36 2jow h LEU 9 Ca 0.00 0.29 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2jow h LEU 9 Cb 1.12 0.77 0.00 0.00 0.37 0.00 0.00 40.66 42.92 2jow h LEU 9 CO 0.00 -0.29 0.00 -0.67 -0.34 0.00 0.00 178.44 177.14 2jow n ASP 10 N -5.41 0.00 -0.00 1.25 2.03 -1.26 -0.64 116.55 112.52 2jow n ASP 10 Ca 0.06 -1.15 -0.00 0.00 0.52 0.00 0.00 54.79 54.21 2jow n ASP 10 Cb 0.35 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.75 2jow n ASP 10 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jow n ASP 11 N -0.75 4.76 0.02 1.67 2.03 -0.84 -4.51 116.55 118.93 2jow n ASP 11 Ca 0.09 -0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.39 2jow n ASP 11 Cb 0.04 0.42 -0.01 0.00 -0.72 0.00 0.00 41.12 40.85 2jow n ASP 11 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2jow h VAL 12 N 0.00 0.00 -0.49 5.18 2.07 -1.00 -3.32 116.25 118.69 2jow h VAL 12 Ca -0.01 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.14 2jow h VAL 12 Cb 1.02 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2jow h VAL 12 CO 0.00 0.00 0.33 -1.28 0.02 0.00 0.00 177.57 176.64 2jow h SER 13 N -0.47 0.54 -0.90 0.57 0.87 -1.12 -2.81 113.55 110.23 2jow h SER 13 Ca -0.01 -0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.59 2jow h SER 13 Cb 0.07 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 61.84 2jow h SER 13 CO 0.01 0.38 0.59 0.00 -0.53 0.00 0.00 176.83 177.29 2jow h ALA 14 N 1.70 1.48 0.00 6.23 0.00 -1.72 -0.13 119.26 126.82 2jow h ALA 14 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jow h ALA 14 Cb -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2jow h ALA 14 CO -0.04 0.41 0.00 1.17 0.00 0.00 0.00 179.25 180.79 2jow n LYS 15 N -4.47 0.15 0.00 0.00 4.81 -1.06 -2.53 118.16 115.07 2jow n LYS 15 Ca 0.13 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 2jow n LYS 15 Cb 0.15 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.24 2jow n LYS 15 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2jow n PHE 16 N -2.28 0.00 0.21 5.64 3.72 -0.18 -4.90 117.46 119.67 2jow n PHE 16 Ca -0.01 -0.25 0.13 0.00 -0.05 0.00 0.00 57.45 57.27 2jow n PHE 16 Cb 0.06 -0.02 0.67 0.00 -0.94 0.00 0.00 39.48 39.25 2jow n PHE 16 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2jow h ASP 17 N 0.00 0.00 0.00 4.37 3.58 -0.94 -0.20 116.42 123.24 2jow h ASP 17 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2jow h ASP 17 Cb 0.40 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.44 2jow h ASP 17 CO 0.00 0.00 -1.80 1.07 -2.88 0.00 0.00 179.24 175.63 2jow n THR 18 N -2.42 0.02 0.02 2.25 5.66 -1.26 -3.79 114.28 114.76 2jow n THR 18 Ca -0.02 -0.40 -0.22 0.00 -3.05 0.00 0.00 64.05 60.36 2jow n THR 18 Cb 0.15 0.09 -0.14 0.00 -1.55 0.00 0.00 70.33 68.87 2jow n THR 18 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2jow h GLY 19 N 3.18 0.34 0.85 1.09 0.00 -1.61 -3.28 103.07 103.64 2jow h GLY 19 Ca -0.01 -0.87 0.10 0.00 0.00 0.00 0.00 47.33 46.55 2jow h GLY 19 CO 0.00 0.76 0.51 -0.24 0.00 0.00 0.00 176.54 177.57 2jow h VAL 20 N 0.04 0.94 0.00 4.60 3.04 -1.33 -1.55 116.25 121.99 2jow h VAL 20 Ca -0.40 -0.24 -0.00 0.00 -1.01 0.00 0.00 66.70 65.05 2jow h VAL 20 Cb 2.03 0.18 -0.00 0.00 -2.01 0.00 0.00 31.29 31.49 2jow h VAL 20 CO 0.11 0.13 -0.01 -0.78 -1.01 0.00 0.00 177.57 176.00 2jow h ASP 21 N 0.70 0.00 0.64 3.17 3.58 -1.66 0.25 116.42 123.10 2jow h ASP 21 Ca 0.36 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.72 2jow h ASP 21 Cb 0.46 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 2jow h ASP 21 CO -0.13 0.01 -0.39 0.78 -2.88 0.00 0.00 179.24 176.62 2jow h ASN 22 N 0.00 0.00 0.11 2.28 2.35 -1.34 0.19 115.58 119.17 2jow h ASN 22 Ca -0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.59 2jow h ASN 22 Cb 0.43 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.81 2jow h ASN 22 CO 0.00 0.39 -0.71 0.25 -1.65 0.00 0.00 177.43 175.72 2jow h LEU 23 N 0.00 0.35 -0.57 1.61 7.12 -1.19 -3.28 115.31 119.35 2jow h LEU 23 Ca -0.00 -0.95 0.05 0.00 0.13 0.00 0.00 57.88 57.11 2jow h LEU 23 Cb 0.82 -0.11 -0.05 0.00 -0.53 0.00 0.00 40.66 40.79 2jow h LEU 23 CO 0.05 1.33 0.30 -0.61 -0.13 0.00 0.00 178.44 179.39 2jow h GLN 24 N -0.52 0.57 -0.53 1.25 5.75 -0.49 0.16 115.11 121.30 2jow h GLN 24 Ca -0.13 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.37 2jow h GLN 24 Cb 1.51 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 29.89 2jow h GLN 24 CO 0.10 0.37 0.30 0.00 -2.65 0.00 0.00 178.83 176.96 2jow h THR 25 N 0.58 1.03 0.08 2.39 1.03 -0.80 0.21 112.91 117.43 2jow h THR 25 Ca 0.25 -0.21 0.01 0.00 -0.01 0.00 0.00 66.41 66.46 2jow h THR 25 Cb 0.14 0.37 -0.02 0.00 -1.07 0.00 0.00 68.15 67.57 2jow h THR 25 CO -0.16 0.11 -0.14 1.56 -0.01 0.00 0.00 175.52 176.87 2jow h GLN 26 N 0.60 -0.27 -0.52 0.00 7.50 -1.46 0.10 115.11 121.06 2jow h GLN 26 Ca 0.22 0.02 -0.07 0.00 0.50 0.00 0.00 58.65 59.31 2jow h GLN 26 Cb 0.06 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.63 2jow h GLN 26 CO -0.11 -0.18 0.03 -0.39 -1.50 0.00 0.00 178.83 176.67 2jow h VAL 27 N -0.28 1.25 0.00 -0.54 -1.51 -0.66 -2.00 116.25 112.51 2jow h VAL 27 Ca 0.02 -1.00 -0.08 0.00 -1.23 0.00 0.00 66.70 64.41 2jow h VAL 27 Cb 0.30 0.81 -0.01 0.00 -2.13 0.00 0.00 31.29 30.26 2jow h VAL 27 CO -0.09 0.36 -0.37 0.74 -1.23 0.00 0.00 177.57 176.98 2jow h THR 28 N 0.81 1.08 0.00 7.19 2.02 -0.36 0.36 112.91 124.01 2jow h THR 28 Ca 0.16 -1.36 -0.17 0.00 0.77 0.00 0.00 66.41 65.80 2jow h THR 28 Cb 0.44 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 2jow h THR 28 CO 0.02 0.37 -0.83 -0.33 0.37 0.00 0.00 175.52 175.11 2jow h GLU 29 N 0.00 0.00 -0.60 6.66 5.08 -0.40 0.60 114.58 125.91 2jow h GLU 29 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2jow h GLU 29 Cb 0.74 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2jow h GLU 29 CO 0.05 0.83 0.05 0.00 -1.00 0.00 0.00 179.01 178.94 2jow h ALA 30 N 1.17 0.96 -0.01 3.43 0.00 -0.93 -2.56 119.26 121.33 2jow h ALA 30 Ca -0.01 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 2jow h ALA 30 Cb 1.59 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2jow h ALA 30 CO 0.11 0.64 -0.42 1.25 0.00 0.00 0.00 179.25 180.83 2jow h LEU 31 N 0.93 0.01 -1.88 0.00 5.85 -0.80 -0.99 115.31 118.44 2jow h LEU 31 Ca 0.18 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.93 2jow h LEU 31 Cb 0.47 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2jow h LEU 31 CO 0.02 0.43 0.16 -0.78 -0.34 0.00 0.00 178.44 177.93 2jow h ASP 32 N 0.01 0.13 0.01 1.25 3.58 0.62 0.54 116.42 122.55 2jow h ASP 32 Ca -0.00 -0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 2jow h ASP 32 Cb 0.75 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.78 2jow h ASP 32 CO 0.05 0.09 -0.63 0.11 -2.88 0.00 0.00 179.24 175.98 2jow h LYS 33 N 0.15 0.41 0.00 0.28 1.79 -1.24 -3.08 116.57 114.89 2jow h LYS 33 Ca 0.10 -0.45 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 2jow h LYS 33 Cb 0.23 0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.01 2jow h LYS 33 CO -0.02 1.12 -0.03 1.25 -1.08 0.00 0.00 179.45 180.70 2jow h LEU 34 N -0.11 0.00 0.00 2.94 6.46 0.19 0.66 115.31 125.45 2jow h LEU 34 Ca -0.08 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.61 2jow h LEU 34 Cb 1.35 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.27 2jow h LEU 34 CO 0.12 0.03 -0.38 0.00 -0.62 0.00 0.00 178.44 177.59 2jow h ALA 35 N 1.97 0.77 0.00 1.25 0.00 -0.11 -2.99 119.26 120.15 2jow h ALA 35 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2jow h ALA 35 Cb 0.69 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2jow h ALA 35 CO 0.00 0.44 -0.07 0.00 0.00 0.00 0.00 179.25 179.62 2jow h ALA 36 N 1.65 0.01 -2.04 0.00 0.00 -1.00 -3.44 119.26 114.44 2jow h ALA 36 Ca -0.01 -0.22 -0.56 0.00 0.00 0.00 0.00 54.91 54.12 2jow h ALA 36 Cb 1.27 0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.72 2jow h ALA 36 CO 0.04 0.05 -1.02 1.17 0.00 0.00 0.00 179.25 179.49 2jow n LYS 37 N -4.71 1.08 0.00 0.00 0.00 0.06 -5.10 118.16 109.50 2jow n LYS 37 Ca -0.04 -3.51 0.00 0.00 0.00 0.00 0.00 58.31 54.76 2jow n LYS 37 Cb 0.19 -1.45 0.00 0.00 0.00 0.00 0.00 35.03 33.77 2jow n LYS 37 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2jow n PRO 38 N 1.19 0.00 -0.05 1.64 -0.01 -1.13 -2.22 135.00 134.42 2jow n PRO 38 Ca 0.23 0.45 0.01 0.00 -0.01 0.00 0.00 63.50 64.19 2jow n PRO 38 Cb 0.52 -0.86 0.04 0.00 -0.01 0.00 0.00 33.50 33.19 2jow n PRO 38 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 175.50 174.36 2jow n SER 39 N -1.15 0.65 -4.48 2.55 3.41 -1.26 -4.26 113.62 109.09 2jow n SER 39 Ca 0.00 -2.02 -0.48 0.00 -0.26 0.00 0.00 58.87 56.11 2jow n SER 39 Cb 0.00 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 2jow n SER 39 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2jow n ASP 40 N -0.20 2.27 0.25 4.04 2.03 -0.94 -4.84 116.55 119.16 2jow n ASP 40 Ca 0.03 0.28 0.12 0.00 0.52 0.00 0.00 54.79 55.74 2jow n ASP 40 Cb 0.13 -1.33 0.61 0.00 -0.72 0.00 0.00 41.12 39.81 2jow n ASP 40 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2jow h PRO 41 N 13.52 0.00 -0.54 -0.67 0.13 -1.90 0.81 132.00 143.36 2jow h PRO 41 Ca -0.28 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.79 2jow h PRO 41 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 2jow h PRO 41 CO 1.04 0.16 0.11 0.00 -0.23 0.00 0.00 178.00 179.07 2jow h ALA 42 N 1.84 0.71 0.16 -0.56 0.00 -1.96 0.10 119.26 119.55 2jow h ALA 42 Ca -0.00 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.46 2jow h ALA 42 Cb 0.55 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.16 2jow h ALA 42 CO 0.02 0.43 -0.97 1.37 0.00 0.00 0.00 179.25 180.11 2jow h LEU 43 N 0.77 0.52 -1.14 0.00 8.10 -1.84 -3.19 115.31 118.53 2jow h LEU 43 Ca 0.17 -0.94 -0.06 0.00 0.11 0.00 0.00 57.88 57.15 2jow h LEU 43 Cb 0.38 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.41 2jow h LEU 43 CO 0.01 1.46 -0.07 0.25 -4.11 0.00 0.00 178.44 175.97 2jow h LEU 44 N -0.29 0.49 -0.32 0.17 7.12 -0.89 -0.18 115.31 121.42 2jow h LEU 44 Ca -0.17 -0.11 -0.13 0.00 0.13 0.00 0.00 57.88 57.59 2jow h LEU 44 Cb 1.74 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 41.72 2jow h LEU 44 CO 0.16 0.62 -0.64 0.00 -0.13 0.00 0.00 178.44 178.45 2jow h ALA 45 N 1.44 0.69 -0.36 1.25 0.00 -0.95 0.32 119.26 121.65 2jow h ALA 45 Ca 0.10 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 2jow h ALA 45 Cb 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2jow h ALA 45 CO 0.02 0.80 -0.22 0.00 0.00 0.00 0.00 179.25 179.85 2jow h ALA 46 N 1.36 0.94 0.48 0.00 0.00 -1.42 -0.10 119.26 120.53 2jow h ALA 46 Ca -0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2jow h ALA 46 Cb 1.35 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jow h ALA 46 CO 0.08 0.61 -0.23 -0.92 0.00 0.00 0.00 179.25 178.79 2jow h TYR 47 N 0.62 -0.60 0.00 0.00 3.20 -0.78 -0.50 116.97 118.91 2jow h TYR 47 Ca 0.09 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 2jow h TYR 47 Cb 0.70 0.20 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 2jow h TYR 47 CO 0.03 -0.36 -0.16 -0.56 -1.64 0.00 0.00 178.16 175.48 2jow h GLN 48 N -0.67 0.00 -0.08 1.82 -0.00 -0.89 0.12 115.11 115.40 2jow h GLN 48 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.57 2jow h GLN 48 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.99 2jow h GLN 48 CO 0.11 0.16 0.00 0.77 -0.00 0.00 0.00 178.83 179.87 2jow h SER 49 N 0.00 0.14 -0.16 0.06 0.02 -0.86 -2.72 113.55 110.04 2jow h SER 49 Ca -0.00 -0.31 -0.12 0.00 -0.84 0.00 0.00 61.79 60.52 2jow h SER 49 Cb 0.42 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2jow h SER 49 CO 0.02 0.41 -0.31 0.11 -1.14 0.00 0.00 176.83 175.93 2jow h LYS 50 N -0.14 0.65 -0.97 3.45 1.79 0.26 0.11 116.57 121.73 2jow h LYS 50 Ca 0.02 -0.29 0.12 0.00 -2.18 0.00 0.00 60.65 58.32 2jow h LYS 50 Cb 0.34 -0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 30.90 2jow h LYS 50 CO 0.00 0.88 0.61 1.25 -1.08 0.00 0.00 179.45 181.12 2jow h LEU 51 N 0.56 0.86 -0.00 2.94 6.46 -0.90 0.20 115.31 125.42 2jow h LEU 51 Ca 0.07 0.04 -0.27 0.00 -0.12 0.00 0.00 57.88 57.60 2jow h LEU 51 Cb 0.80 -0.13 0.02 0.00 -0.73 0.00 0.00 40.66 40.62 2jow h LEU 51 CO 0.07 0.46 -1.07 0.28 -0.62 0.00 0.00 178.44 177.56 2jow h SER 52 N 0.93 0.85 -0.43 1.25 0.02 -1.06 -2.82 113.55 112.29 2jow h SER 52 Ca 0.47 -0.70 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 2jow h SER 52 Cb 0.52 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2jow h SER 52 CO -0.24 1.51 0.23 -0.33 -1.14 0.00 0.00 176.83 176.86 2jow h GLU 53 N 0.35 0.64 -0.29 3.45 4.39 0.17 0.24 114.58 123.53 2jow h GLU 53 Ca -0.13 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.34 2jow h GLU 53 Cb 1.73 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 30.24 2jow h GLU 53 CO 0.21 0.49 -0.46 -0.92 -1.16 0.00 0.00 179.01 177.16 2jow h TYR 54 N 0.65 0.95 0.00 4.33 3.20 -0.73 0.22 116.97 125.59 2jow h TYR 54 Ca 0.16 -0.31 -0.05 0.00 3.14 0.00 0.00 58.73 61.68 2jow h TYR 54 Cb 0.05 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 2jow h TYR 54 CO 0.00 1.09 -0.23 -0.91 -1.64 0.00 0.00 178.16 176.47 2jow h ASN 55 N 0.62 0.00 -0.14 -2.11 2.35 -1.09 -0.43 115.58 114.77 2jow h ASN 55 Ca 0.04 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.56 2jow h ASN 55 Cb 1.03 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.42 2jow h ASN 55 CO 0.10 0.23 -0.81 -0.07 -1.65 0.00 0.00 177.43 175.23 2jow h LEU 56 N 0.00 0.95 -0.61 1.61 4.07 -0.19 0.24 115.31 121.38 2jow h LEU 56 Ca -0.00 -0.64 0.08 0.00 0.08 0.00 0.00 57.88 57.40 2jow h LEU 56 Cb 0.46 -0.28 -0.06 0.00 1.08 0.00 0.00 40.66 41.85 2jow h LEU 56 CO 0.03 1.44 0.27 0.22 -1.08 0.00 0.00 178.44 179.32 2jow h TYR 57 N 0.53 0.48 -0.60 1.13 5.03 -0.23 0.72 116.97 124.05 2jow h TYR 57 Ca -0.06 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.23 2jow h TYR 57 Cb 1.44 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 39.57 2jow h TYR 57 CO 0.09 0.18 0.20 0.00 -1.32 0.00 0.00 178.16 177.30 2jow h ARG 58 N 0.49 0.89 -0.30 1.82 -0.00 -1.00 -0.40 114.38 115.89 2jow h ARG 58 Ca 0.29 -0.16 -0.08 0.00 -0.50 0.00 0.00 59.98 59.53 2jow h ARG 58 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 29.97 30.12 2jow h ARG 58 CO -0.25 0.76 -0.14 -0.97 0.00 0.00 0.00 179.97 179.38 2jow h ASN 59 N 0.87 0.64 -0.74 7.04 -0.73 0.30 -1.47 115.58 121.50 2jow h ASN 59 Ca 0.20 -0.40 -0.00 0.00 1.87 0.00 0.00 56.30 57.96 2jow h ASN 59 Cb 0.24 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 38.61 2jow h ASN 59 CO -0.01 0.90 0.45 0.00 -0.37 0.00 0.00 177.43 178.40 2jow h ALA 60 N 0.76 0.94 0.00 1.57 0.00 -0.82 -0.99 119.26 120.72 2jow h ALA 60 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jow h ALA 60 Cb 0.65 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jow h ALA 60 CO 0.04 0.41 0.00 0.94 0.00 0.00 0.00 179.25 180.64 2jow n GLN 61 N -4.51 0.93 -0.87 0.00 7.27 -0.17 -1.06 117.38 118.97 2jow n GLN 61 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 2jow n GLN 61 Cb 0.06 -1.23 -0.00 0.00 2.41 0.00 0.00 30.24 31.47 2jow n GLN 61 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2jow n SER 62 N 0.31 0.16 0.02 1.69 2.88 -0.43 -4.77 113.62 113.48 2jow n SER 62 Ca 0.00 -1.82 0.00 0.00 -1.33 0.00 0.00 58.87 55.72 2jow n SER 62 Cb 0.36 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 2jow n SER 62 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2jow n ASN 63 N 0.15 0.17 -0.29 -3.46 2.85 -0.22 -4.69 115.26 109.76 2jow n ASN 63 Ca -0.02 0.06 0.10 0.00 -0.11 0.00 0.00 54.58 54.60 2jow n ASN 63 Cb 0.80 -0.02 0.26 0.00 1.24 0.00 0.00 39.78 42.05 2jow n ASN 63 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jow h THR 64 N 0.00 0.59 -0.57 -0.44 1.03 -1.62 0.81 112.91 112.72 2jow h THR 64 Ca 0.00 -0.16 0.15 0.00 -0.01 0.00 0.00 66.41 66.39 2jow h THR 64 Cb 0.54 0.07 -0.03 0.00 -1.07 0.00 0.00 68.15 67.66 2jow h THR 64 CO 0.00 0.09 0.40 0.58 -0.01 0.00 0.00 175.52 176.58 2jow h VAL 65 N 0.47 0.75 -0.44 0.00 2.07 -1.86 -0.03 116.25 117.21 2jow h VAL 65 Ca 0.50 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.99 2jow h VAL 65 Cb 0.84 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2jow h VAL 65 CO -0.46 0.01 0.00 0.29 0.02 0.00 0.00 177.57 177.44 2jow n LYS 66 N -4.40 3.22 -0.02 1.57 5.02 0.20 -4.07 118.16 119.69 2jow n LYS 66 Ca 0.10 -2.60 -0.02 0.00 -2.02 0.00 0.00 58.31 53.77 2jow n LYS 66 Cb 0.58 -1.67 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 2jow n LYS 66 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2jow n VAL 67 N 0.48 0.23 0.18 -0.18 0.31 -0.18 -4.08 118.33 115.10 2jow n VAL 67 Ca 0.20 -0.11 0.06 0.00 -0.01 0.00 0.00 64.34 64.48 2jow n VAL 67 Cb 0.73 -0.75 0.52 0.00 -0.91 0.00 0.00 33.84 33.44 2jow n VAL 67 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2jow h PHE 68 N 0.00 0.13 -0.04 3.52 0.04 -1.33 0.15 116.94 119.41 2jow h PHE 68 Ca -0.09 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.69 2jow h PHE 68 Cb 1.16 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 39.27 2jow h PHE 68 CO 0.00 0.17 0.04 -0.22 -0.60 0.00 0.00 178.31 177.70 2jow h LYS 69 N 0.13 0.00 0.03 1.51 3.11 -1.76 -1.62 116.57 117.96 2jow h LYS 69 Ca 0.03 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 57.66 2jow h LYS 69 Cb 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.36 2jow h LYS 69 CO 0.01 0.00 -0.97 0.22 -2.81 0.00 0.00 179.45 175.89 2jow h ASP 70 N 0.00 0.25 -0.33 4.20 3.58 -0.84 0.23 116.42 123.50 2jow h ASP 70 Ca 0.02 -0.23 -0.07 0.00 0.42 0.00 0.00 57.03 57.17 2jow h ASP 70 Cb 0.10 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2jow h ASP 70 CO -0.00 1.08 -0.06 0.40 -2.88 0.00 0.00 179.24 177.78 2jow h ILE 71 N 0.09 1.27 -0.06 2.25 5.03 -1.21 -2.32 117.51 122.56 2jow h ILE 71 Ca -0.06 -1.09 -0.08 0.00 -0.12 0.00 0.00 64.86 63.51 2jow h ILE 71 Cb 1.64 1.31 -0.01 0.00 -3.03 0.00 0.00 36.82 36.73 2jow h ILE 71 CO 0.15 0.36 -0.31 -0.78 -0.68 0.00 0.00 178.15 176.88 2jow h ASP 72 N 0.42 0.12 0.30 1.72 3.58 -1.32 -1.65 116.42 119.59 2jow h ASP 72 Ca 0.09 -0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 2jow h ASP 72 Cb 0.55 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 2jow h ASP 72 CO 0.03 0.43 -0.17 0.00 -2.88 0.00 0.00 179.24 176.65 2jow h ALA 73 N 1.58 1.45 -0.33 -0.78 0.00 -0.37 0.77 119.26 121.58 2jow h ALA 73 Ca 0.01 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2jow h ALA 73 Cb 0.61 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2jow h ALA 73 CO 0.04 0.22 -0.26 0.00 0.00 0.00 0.00 179.25 179.25 2jow h ALA 74 N 1.83 0.93 -0.64 0.00 0.00 -0.74 -0.96 119.26 119.69 2jow h ALA 74 Ca -0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 2jow h ALA 74 Cb 0.37 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2jow h ALA 74 CO 0.02 0.61 0.05 0.82 0.00 0.00 0.00 179.25 180.76 2jow h ILE 75 N 0.57 1.26 -0.76 0.00 2.04 -0.95 -1.84 117.51 117.84 2jow h ILE 75 Ca 0.08 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 2jow h ILE 75 Cb 0.75 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 2jow h ILE 75 CO 0.06 0.41 0.45 -0.07 0.00 0.00 0.00 178.15 179.00 2jow h LEU 76 N 1.00 0.92 -1.16 1.44 -0.00 -0.73 -0.40 115.31 116.37 2jow h LEU 76 Ca 0.19 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.98 2jow h LEU 76 Cb 0.50 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.90 2jow h LEU 76 CO 0.02 0.71 0.30 -0.33 -0.00 0.00 0.00 178.44 179.15 2jow h GLU 77 N 1.04 0.89 0.00 1.13 4.39 -1.05 -2.33 114.58 118.65 2jow h GLU 77 Ca 0.27 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 2jow h GLU 77 Cb -0.03 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.45 2jow h GLU 77 CO -0.05 0.69 -0.08 1.25 -1.16 0.00 0.00 179.01 179.66 2jow h HIS 78 N 0.89 0.00 0.00 4.33 2.76 -0.51 -3.26 115.15 119.37 2jow h HIS 78 Ca 0.22 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 2jow h HIS 78 Cb 0.09 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.05 2jow h HIS 78 CO 0.01 0.08 0.00 1.58 -1.30 0.00 0.00 177.93 178.30 2jow n HIS 79 N -3.27 0.33 -1.71 5.26 -0.00 -0.24 -4.88 115.22 110.72 2jow n HIS 79 Ca -0.00 0.11 -0.40 0.00 -0.00 0.00 0.00 57.72 57.43 2jow n HIS 79 Cb 0.30 -0.68 0.02 0.00 -0.00 0.00 0.00 29.99 29.62 2jow n HIS 79 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jow n HIS 80 N -1.79 2.11 -4.18 1.57 8.25 -1.23 -5.05 115.22 114.91 2jow n HIS 80 Ca 0.04 0.48 -0.16 0.00 -0.26 0.00 0.00 57.72 57.82 2jow n HIS 80 Cb 0.27 -2.37 -0.15 0.00 1.12 0.00 0.00 29.99 28.86 2jow n HIS 80 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jow s HIS 81 N -1.23 0.52 0.22 4.41 3.76 -1.26 -5.14 115.29 116.57 2jow s HIS 81 Ca 0.63 -0.10 -0.30 0.00 -0.15 0.00 0.00 55.06 55.14 2jow s HIS 81 Cb -0.49 -0.36 -0.10 0.00 1.11 0.00 0.00 32.58 32.75 2jow s HIS 81 CO 0.56 -0.03 1.46 -1.58 -0.85 0.00 0.00 174.74 174.31 2jow s HIS 82 N -0.02 3.05 0.00 1.40 2.46 -1.26 -5.30 115.29 115.62 2jow s HIS 82 Ca 0.01 0.93 0.00 0.00 0.47 0.00 0.00 55.06 56.47 2jow s HIS 82 Cb -0.03 -3.83 0.00 0.00 -0.13 0.00 0.00 32.58 28.58 2jow s HIS 82 CO -0.00 -2.81 0.00 1.58 -2.47 0.00 0.00 174.74 171.04