#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jws s THR 2 N 0.00 0.00 -1.07 4.28 -4.23 -1.26 -5.02 115.64 108.34 2jws s THR 2 Ca 0.00 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 60.80 2jws s THR 2 Cb 0.00 -1.00 0.26 0.00 1.34 0.00 0.00 72.50 73.10 2jws s THR 2 CO 0.00 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 175.97 2jws n TYR 3 N 3.98 0.00 -3.04 3.99 4.19 -1.26 -4.97 117.16 120.05 2jws n TYR 3 Ca -0.19 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 60.80 2jws n TYR 3 Cb 0.58 -0.44 0.01 0.00 0.49 0.00 0.00 39.34 39.99 2jws n TYR 3 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 2jws n LYS 4 N -1.46 -1.18 -0.01 2.98 2.85 -1.26 -4.92 118.16 115.16 2jws n LYS 4 Ca 0.08 0.73 -0.02 0.00 -1.05 0.00 0.00 58.31 58.05 2jws n LYS 4 Cb 0.33 -1.42 -0.01 0.00 -0.65 0.00 0.00 35.03 33.28 2jws n LYS 4 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2jws n LEU 5 N -1.02 0.66 -2.25 -5.58 4.77 -1.26 -5.06 117.00 107.26 2jws n LEU 5 Ca -0.14 0.10 -0.08 0.00 -0.03 0.00 0.00 56.01 55.86 2jws n LEU 5 Cb 0.47 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 2jws n LEU 5 CO 0.40 -0.50 0.04 -0.38 -1.33 0.00 0.00 177.39 175.63 2jws n ILE 6 N -3.14 -3.53 -0.44 -0.08 5.41 -1.26 -4.97 119.36 111.35 2jws n ILE 6 Ca -0.03 -0.36 0.00 0.00 1.00 0.00 0.00 62.75 63.36 2jws n ILE 6 Cb 0.12 -4.01 0.00 0.00 -0.71 0.00 0.00 39.64 35.04 2jws n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jws n LEU 7 N -2.51 0.66 -2.08 1.39 -0.00 -1.26 -4.82 117.00 108.39 2jws n LEU 7 Ca -0.12 -0.66 -0.03 0.00 -0.00 0.00 0.00 56.01 55.20 2jws n LEU 7 Cb 0.58 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 44.05 2jws n LEU 7 CO 0.30 0.17 0.44 -0.46 -0.00 0.00 0.00 177.39 177.84 2jws n ASN 8 N -0.05 -0.84 -0.06 1.45 0.23 -1.26 -4.96 115.26 109.76 2jws n ASN 8 Ca 0.00 -2.11 -0.19 0.00 -0.53 0.00 0.00 54.58 51.74 2jws n ASN 8 Cb 0.16 0.38 -0.13 0.00 -2.08 0.00 0.00 39.78 38.11 2jws n ASN 8 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 2jws h LEU 9 N 0.85 0.11 -1.85 -4.53 6.46 -1.87 -2.42 115.31 112.06 2jws h LEU 9 Ca -0.44 -0.77 0.21 0.00 -0.12 0.00 0.00 57.88 56.76 2jws h LEU 9 Cb 1.37 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 41.22 2jws h LEU 9 CO -0.16 1.36 0.55 0.50 -0.62 0.00 0.00 178.44 180.07 2jws h LYS 10 N -0.80 0.13 0.12 1.25 3.64 -1.97 0.01 116.57 118.96 2jws h LYS 10 Ca -0.22 -0.01 -0.34 0.00 -1.27 0.00 0.00 60.65 58.81 2jws h LYS 10 Cb 1.34 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 2jws h LYS 10 CO -0.06 0.09 -1.79 0.37 -2.27 0.00 0.00 179.45 175.78 2jws h GLN 11 N 0.13 0.26 -0.90 1.90 4.15 -1.96 -2.57 115.11 116.13 2jws h GLN 11 Ca 0.38 -0.45 0.10 0.00 0.77 0.00 0.00 58.65 59.45 2jws h GLN 11 Cb 1.32 0.17 -0.07 0.00 0.21 0.00 0.00 27.48 29.11 2jws h GLN 11 CO -0.06 1.13 0.58 0.00 -1.93 0.00 0.00 178.83 178.55 2jws h ALA 12 N 0.30 1.63 0.10 3.38 0.00 -0.53 0.18 119.26 124.33 2jws h ALA 12 Ca -0.34 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.26 2jws h ALA 12 Cb 2.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 2jws h ALA 12 CO 0.13 0.18 -1.56 1.57 0.00 0.00 0.00 179.25 179.57 2jws h LYS 13 N 0.89 0.22 -0.09 0.00 -0.00 -1.29 -2.60 116.57 113.70 2jws h LYS 13 Ca 0.42 -0.37 0.02 0.00 -0.00 0.00 0.00 60.65 60.72 2jws h LYS 13 Cb 0.42 0.14 -0.02 0.00 -0.00 0.00 0.00 32.23 32.77 2jws h LYS 13 CO -0.18 1.06 -0.03 0.93 -0.00 0.00 0.00 179.45 181.23 2jws h GLU 14 N 0.06 -0.00 -0.07 0.07 4.39 -0.93 0.91 114.58 119.00 2jws h GLU 14 Ca -0.25 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.39 2jws h GLU 14 Cb 2.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.65 2jws h GLU 14 CO 0.15 -0.00 -0.22 1.49 -1.16 0.00 0.00 179.01 179.27 2jws h GLU 15 N -0.01 0.12 -0.32 2.33 4.57 -0.79 -2.67 114.58 117.81 2jws h GLU 15 Ca 0.05 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.11 2jws h GLU 15 Cb 0.07 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2jws h GLU 15 CO -0.10 0.34 -0.14 0.00 -1.18 0.00 0.00 179.01 177.93 2jws h ALA 16 N 1.67 0.45 -0.54 2.92 0.00 -0.56 -0.47 119.26 122.72 2jws h ALA 16 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2jws h ALA 16 Cb 0.45 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2jws h ALA 16 CO 0.03 0.34 0.34 0.97 0.00 0.00 0.00 179.25 180.94 2jws h ILE 17 N 0.43 1.15 -0.04 0.00 6.09 0.11 0.88 117.51 126.12 2jws h ILE 17 Ca 0.07 -0.30 -0.15 0.00 -1.37 0.00 0.00 64.86 63.11 2jws h ILE 17 Cb 0.67 0.36 -0.01 0.00 0.47 0.00 0.00 36.82 38.31 2jws h ILE 17 CO 0.04 0.15 -0.66 0.11 -3.07 0.00 0.00 178.15 174.73 2jws h LYS 18 N 0.74 0.18 0.25 2.19 1.57 -1.34 -0.78 116.57 119.38 2jws h LYS 18 Ca 0.20 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2jws h LYS 18 Cb -0.06 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2jws h LYS 18 CO -0.04 0.78 -0.12 0.93 -0.57 0.00 0.00 179.45 180.43 2jws h GLU 19 N 0.13 -0.32 0.03 3.15 3.07 0.84 -1.21 114.58 120.27 2jws h GLU 19 Ca -0.01 0.02 -0.22 0.00 -0.50 0.00 0.00 59.36 58.64 2jws h GLU 19 Cb 1.18 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 29.16 2jws h GLU 19 CO 0.10 -0.13 -0.98 1.25 -1.40 0.00 0.00 179.01 177.85 2jws h LEU 20 N -0.44 0.40 -1.74 1.33 5.85 -1.23 0.33 115.31 119.82 2jws h LEU 20 Ca -0.03 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 2jws h LEU 20 Cb 0.33 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2jws h LEU 20 CO 0.06 1.17 -0.01 0.58 -0.34 0.00 0.00 178.44 179.89 2jws h VAL 21 N 0.15 1.08 0.08 1.05 2.07 -1.12 1.29 116.25 120.85 2jws h VAL 21 Ca -0.08 -0.31 -0.34 0.00 0.82 0.00 0.00 66.70 66.79 2jws h VAL 21 Cb 1.63 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 2jws h VAL 21 CO 0.16 0.10 -1.90 0.47 0.02 0.00 0.00 177.57 176.42 2jws n ASP 22 N -4.43 1.70 0.11 0.57 9.92 -0.46 -3.97 116.55 119.99 2jws n ASP 22 Ca -0.01 0.28 0.13 0.00 -0.53 0.00 0.00 54.79 54.65 2jws n ASP 22 Cb 0.15 -0.59 0.42 0.00 -0.64 0.00 0.00 41.12 40.46 2jws n ASP 22 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jws n ALA 23 N -2.85 2.17 -2.49 2.24 0.00 0.10 -5.01 120.51 114.66 2jws n ALA 23 Ca -0.27 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.16 2jws n ALA 23 Cb 1.05 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 2jws n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jws n GLY 24 N 1.06 -2.96 0.77 0.00 0.00 0.44 -5.01 105.19 99.50 2jws n GLY 24 Ca 0.05 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.56 2jws n GLY 24 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jws n ILE 25 N 2.02 0.00 -1.50 -0.61 -5.35 -1.25 -5.06 119.36 107.61 2jws n ILE 25 Ca -0.11 -0.05 -0.33 0.00 -0.27 0.00 0.00 62.75 61.99 2jws n ILE 25 Cb 0.17 0.12 -0.18 0.00 -1.74 0.00 0.00 39.64 38.01 2jws n ILE 25 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jws n ALA 26 N -2.59 0.63 0.10 -1.28 0.00 -1.26 -4.71 120.51 111.40 2jws n ALA 26 Ca -0.02 -0.53 0.20 0.00 0.00 0.00 0.00 53.44 53.09 2jws n ALA 26 Cb 0.11 -2.36 0.75 0.00 0.00 0.00 0.00 19.45 17.95 2jws n ALA 26 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jws h GLU 27 N 11.82 0.00 -0.83 0.00 5.08 -1.98 -1.12 114.58 127.55 2jws h GLU 27 Ca -0.02 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.55 2jws h GLU 27 Cb 1.23 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.35 2jws h GLU 27 CO 1.47 0.00 0.16 -0.22 -1.00 0.00 0.00 179.01 179.42 2jws h LYS 28 N 0.00 0.18 -0.05 2.33 1.63 -2.01 1.30 116.57 119.95 2jws h LYS 28 Ca 0.19 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.96 2jws h LYS 28 Cb 1.06 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.64 2jws h LYS 28 CO -0.00 0.12 -0.04 1.88 -3.45 0.00 0.00 179.45 177.96 2jws h TYR 29 N 0.19 0.07 0.00 1.91 -1.99 -1.57 0.19 116.97 115.76 2jws h TYR 29 Ca 0.50 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.21 2jws h TYR 29 Cb 0.96 -0.02 -0.00 0.00 2.00 0.00 0.00 36.73 39.67 2jws h TYR 29 CO -0.31 0.11 -0.07 0.82 -0.00 0.00 0.00 178.16 178.70 2jws h ILE 30 N 0.07 0.72 -0.08 -2.88 2.04 0.16 -1.45 117.51 116.08 2jws h ILE 30 Ca 0.02 -0.29 -0.21 0.00 1.00 0.00 0.00 64.86 65.37 2jws h ILE 30 Cb 0.12 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2jws h ILE 30 CO 0.01 0.07 -0.81 0.50 0.00 0.00 0.00 178.15 177.92 2jws h LYS 31 N 0.00 0.56 -0.24 2.37 3.64 -0.28 1.15 116.57 123.77 2jws h LYS 31 Ca -0.00 -0.49 -0.03 0.00 -1.27 0.00 0.00 60.65 58.86 2jws h LYS 31 Cb 0.17 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2jws h LYS 31 CO 0.01 1.12 0.03 -0.07 -2.27 0.00 0.00 179.45 178.26 2jws h LEU 32 N 0.36 0.31 0.04 5.20 3.38 -1.11 0.21 115.31 123.71 2jws h LEU 32 Ca -0.06 -0.04 -0.31 0.00 0.09 0.00 0.00 57.88 57.57 2jws h LEU 32 Cb 1.42 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 2jws h LEU 32 CO 0.15 0.35 -1.72 2.30 0.09 0.00 0.00 178.44 179.60 2jws n ILE 33 N -4.37 1.61 0.22 1.22 -5.35 -1.07 -3.52 119.36 108.10 2jws n ILE 33 Ca 0.00 -0.30 0.07 0.00 -0.27 0.00 0.00 62.75 62.25 2jws n ILE 33 Cb 0.18 -1.89 0.59 0.00 -1.74 0.00 0.00 39.64 36.78 2jws n ILE 33 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jws h ALA 34 N -0.35 1.91 0.00 -1.28 0.00 0.14 -0.01 119.26 119.67 2jws h ALA 34 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2jws h ALA 34 Cb 1.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2jws h ALA 34 CO -0.14 0.07 -0.24 -1.71 0.00 0.00 0.00 179.25 177.23 2jws n ASN 35 N -4.49 0.68 0.00 0.00 5.15 0.75 -5.01 115.26 112.33 2jws n ASN 35 Ca -0.02 0.36 0.00 0.00 -0.60 0.00 0.00 54.58 54.32 2jws n ASN 35 Cb 0.11 -0.38 0.00 0.00 -0.53 0.00 0.00 39.78 38.99 2jws n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jws n ALA 36 N -1.75 0.00 0.00 5.20 0.00 -0.02 -4.88 120.51 119.05 2jws n ALA 36 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2jws n ALA 36 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2jws n ALA 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jws n LYS 37 N 14.00 0.00 -3.26 0.00 4.81 -1.26 -4.82 118.16 127.62 2jws n LYS 37 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 2jws n LYS 37 Cb 0.00 -0.46 -0.08 0.00 0.02 0.00 0.00 35.03 34.51 2jws n LYS 37 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2jws n THR 38 N -1.70 -0.97 -0.35 3.15 -1.04 -1.26 -5.01 114.28 107.11 2jws n THR 38 Ca 0.00 -3.11 0.08 0.00 -2.04 0.00 0.00 64.05 58.98 2jws n THR 38 Cb 0.00 -1.25 0.18 0.00 -1.82 0.00 0.00 70.33 67.44 2jws n THR 38 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 2jws h VAL 39 N 4.33 0.03 -0.66 12.58 3.04 -1.95 1.04 116.25 134.65 2jws h VAL 39 Ca 0.21 -0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.89 2jws h VAL 39 Cb 0.94 0.02 -0.03 0.00 -2.01 0.00 0.00 31.29 30.21 2jws h VAL 39 CO 0.33 0.00 0.40 -0.33 -1.01 0.00 0.00 177.57 176.97 2jws h GLU 40 N 0.00 0.88 -0.11 4.17 5.08 -1.96 -2.73 114.58 119.92 2jws h GLU 40 Ca 0.50 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.76 2jws h GLU 40 Cb 0.85 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2jws h GLU 40 CO -0.98 0.62 -0.03 0.78 -1.00 0.00 0.00 179.01 178.40 2jws h GLY 41 N 0.89 0.24 -0.64 -3.84 0.00 0.28 -1.63 103.07 98.37 2jws h GLY 41 Ca 0.24 -0.20 0.32 0.00 0.00 0.00 0.00 47.33 47.69 2jws h GLY 41 CO -0.05 0.18 0.45 -2.08 0.00 0.00 0.00 176.54 175.05 2jws h VAL 42 N -0.10 0.22 0.03 4.60 2.07 0.77 2.18 116.25 126.02 2jws h VAL 42 Ca 0.03 -0.07 -0.22 0.00 0.82 0.00 0.00 66.70 67.26 2jws h VAL 42 Cb 0.45 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2jws h VAL 42 CO 0.01 0.04 -1.00 -0.25 0.02 0.00 0.00 177.57 176.39 2jws h TRP 43 N 0.21 0.21 0.02 1.57 2.91 -1.35 -2.83 115.95 116.69 2jws h TRP 43 Ca 0.71 -0.14 -0.04 0.00 1.13 0.00 0.00 58.89 60.55 2jws h TRP 43 Cb 1.64 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 30.28 2jws h TRP 43 CO -0.10 1.04 -0.16 1.15 -1.03 0.00 0.00 178.44 179.34 2jws h THR 44 N 0.05 1.71 -0.79 2.65 2.02 0.19 -2.65 112.91 116.10 2jws h THR 44 Ca -0.05 -2.31 0.08 0.00 0.77 0.00 0.00 66.41 64.90 2jws h THR 44 Cb 1.70 3.27 -0.05 0.00 -1.74 0.00 0.00 68.15 71.33 2jws h THR 44 CO 0.15 0.61 0.52 -0.07 0.37 0.00 0.00 175.52 177.09 2jws h LEU 45 N -0.83 0.71 0.67 2.58 3.38 0.29 0.51 115.31 122.62 2jws h LEU 45 Ca -0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2jws h LEU 45 Cb 1.09 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.71 2jws h LEU 45 CO 0.03 0.44 -0.32 0.50 0.09 0.00 0.00 178.44 179.18 2jws h LYS 46 N 0.80 -0.86 -0.48 1.13 3.64 -1.58 0.88 116.57 120.09 2jws h LYS 46 Ca 0.35 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.85 2jws h LYS 46 Cb 0.33 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 2jws h LYS 46 CO -0.13 -0.58 0.32 -0.44 -2.27 0.00 0.00 179.45 176.36 2jws h ASP 47 N -1.22 0.34 0.05 4.20 5.19 -1.17 0.17 116.42 123.98 2jws h ASP 47 Ca -0.09 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2jws h ASP 47 Cb 0.69 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.12 2jws h ASP 47 CO 0.15 0.22 -0.02 -0.08 -3.12 0.00 0.00 179.24 176.39 2jws h GLU 48 N 0.39 -0.07 -0.02 3.56 4.81 0.07 -2.65 114.58 120.67 2jws h GLU 48 Ca 0.21 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 2jws h GLU 48 Cb 0.33 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 2jws h GLU 48 CO -0.05 0.55 0.03 0.97 -0.73 0.00 0.00 179.01 179.78 2jws h ILE 49 N -0.89 0.42 0.10 2.32 6.09 0.11 0.29 117.51 125.95 2jws h ILE 49 Ca -0.01 0.00 -0.26 0.00 -1.37 0.00 0.00 64.86 63.23 2jws h ILE 49 Cb 0.65 0.97 -0.00 0.00 0.47 0.00 0.00 36.82 38.91 2jws h ILE 49 CO 0.01 0.00 -1.17 0.25 -3.07 0.00 0.00 178.15 174.18 2jws h LEU 50 N 0.00 0.38 -1.43 2.19 5.85 -1.01 -3.23 115.31 118.05 2jws h LEU 50 Ca 0.01 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.37 2jws h LEU 50 Cb 0.08 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2jws h LEU 50 CO -0.00 1.28 0.41 0.74 -0.34 0.00 0.00 178.44 180.53 2jws h THR 51 N 0.08 1.09 0.00 1.05 2.02 -0.56 -1.52 112.91 115.07 2jws h THR 51 Ca -0.11 -0.26 -0.29 0.00 0.77 0.00 0.00 66.41 66.53 2jws h THR 51 Cb 1.88 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 2jws h THR 51 CO 0.19 0.14 1.61 0.33 0.37 0.00 0.00 175.52 178.15 2jws n PHE 52 N -4.46 0.87 0.00 3.16 -0.00 -1.05 -3.55 117.46 112.43 2jws n PHE 52 Ca 0.07 -1.60 0.00 0.00 -0.00 0.00 0.00 57.45 55.93 2jws n PHE 52 Cb 0.12 -1.49 0.00 0.00 -0.00 0.00 0.00 39.48 38.11 2jws n PHE 52 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 2jws n THR 53 N 3.56 0.00 -3.08 -2.13 -1.04 -1.19 -5.05 114.28 105.35 2jws n THR 53 Ca 0.39 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.95 2jws n THR 53 Cb 0.31 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.80 2jws n THR 53 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2jws s VAL 54 N 0.00 5.20 0.12 12.58 1.01 -0.58 -5.01 120.40 133.72 2jws s VAL 54 Ca 0.00 -2.38 -0.32 0.00 0.00 0.00 0.00 61.98 59.28 2jws s VAL 54 Cb 0.00 -4.73 -0.12 0.00 0.00 0.00 0.00 36.38 31.53 2jws s VAL 54 CO 0.00 -1.40 1.77 0.35 0.00 0.00 0.00 175.10 175.82 2jws n THR 55 N 4.48 0.26 0.40 3.92 -2.24 -1.26 -4.40 114.28 115.44 2jws n THR 55 Ca 0.26 -0.05 0.03 0.00 -2.27 0.00 0.00 64.05 62.02 2jws n THR 55 Cb 0.45 -1.95 0.19 0.00 -2.10 0.00 0.00 70.33 66.92 2jws n THR 55 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71