#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 -0.04 -0.63 1.09 -4.23 -1.26 -5.04 115.64 105.53 2jws s THR 2 Ca 0.00 0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.63 2jws s THR 2 Cb 0.00 -0.41 0.41 0.00 1.34 0.00 0.00 72.50 73.84 2jws s THR 2 CO 0.00 0.06 2.04 0.00 -0.54 0.00 0.00 174.62 176.18 2jws n TYR 3 N 4.25 2.97 -2.97 3.99 4.11 -1.26 -4.60 117.16 123.65 2jws n TYR 3 Ca -0.25 -2.84 -0.15 0.00 -0.00 0.00 0.00 57.90 54.66 2jws n TYR 3 Cb 0.53 -1.38 -0.01 0.00 -0.00 0.00 0.00 39.34 38.48 2jws n TYR 3 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 2jws n LYS 4 N -0.71 0.63 0.00 -3.48 0.00 -1.26 -4.95 118.16 108.39 2jws n LYS 4 Ca 0.58 -2.43 0.00 0.00 0.00 0.00 0.00 58.31 56.46 2jws n LYS 4 Cb 0.63 -1.42 0.00 0.00 0.00 0.00 0.00 35.03 34.23 2jws n LYS 4 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2jws n LEU 5 N 2.00 0.00 -4.78 3.14 4.32 -1.26 -5.10 117.00 115.31 2jws n LEU 5 Ca 0.17 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.79 2jws n LEU 5 Cb 0.57 0.05 -0.06 0.00 -1.62 0.00 0.00 43.42 42.35 2jws n LEU 5 CO 0.08 -0.30 0.65 0.27 -1.22 0.00 0.00 177.39 176.87 2jws s ILE 6 N -1.59 4.19 0.01 -0.08 -4.36 -1.26 -5.03 121.20 113.09 2jws s ILE 6 Ca 0.00 1.85 -0.02 0.00 -0.26 0.00 0.00 60.65 62.22 2jws s ILE 6 Cb 0.00 -4.04 0.01 0.00 1.25 0.00 0.00 42.46 39.68 2jws s ILE 6 CO 0.00 0.17 0.09 0.18 0.24 0.00 0.00 174.94 175.63 2jws n LEU 7 N 0.64 0.00 -2.13 0.37 4.77 -1.26 -5.07 117.00 114.32 2jws n LEU 7 Ca 0.02 -0.10 -0.02 0.00 -0.03 0.00 0.00 56.01 55.88 2jws n LEU 7 Cb 0.50 0.21 0.05 0.00 -2.33 0.00 0.00 43.42 41.85 2jws n LEU 7 CO 0.45 -0.03 0.35 -3.20 -1.33 0.00 0.00 177.39 173.62 2jws n ASN 8 N -0.51 -0.36 -0.06 -1.43 2.85 -1.26 -4.95 115.26 109.54 2jws n ASN 8 Ca -0.00 -2.09 -0.19 0.00 -0.11 0.00 0.00 54.58 52.19 2jws n ASN 8 Cb 0.05 0.20 -0.13 0.00 1.24 0.00 0.00 39.78 41.15 2jws n ASN 8 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2jws h LEU 9 N 1.10 0.10 -1.47 1.20 6.46 -1.98 -2.15 115.31 118.57 2jws h LEU 9 Ca -0.38 -0.79 0.18 0.00 -0.12 0.00 0.00 57.88 56.77 2jws h LEU 9 Cb 1.40 -0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 41.24 2jws h LEU 9 CO -0.10 1.33 0.57 0.50 -0.62 0.00 0.00 178.44 180.12 2jws h LYS 10 N -0.83 0.45 0.05 1.25 3.64 -1.97 -0.17 116.57 118.99 2jws h LYS 10 Ca -0.20 -0.03 -0.29 0.00 -1.27 0.00 0.00 60.65 58.86 2jws h LYS 10 Cb 1.30 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 2jws h LYS 10 CO -0.06 0.30 -1.61 0.37 -2.27 0.00 0.00 179.45 176.18 2jws h GLN 11 N 0.47 0.10 -0.83 1.90 4.15 -1.96 -2.59 115.11 116.35 2jws h GLN 11 Ca 0.45 -0.17 0.03 0.00 0.77 0.00 0.00 58.65 59.73 2jws h GLN 11 Cb 1.02 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.73 2jws h GLN 11 CO -0.18 0.82 0.55 0.00 -1.93 0.00 0.00 178.83 178.09 2jws h ALA 12 N 0.74 1.48 0.10 3.38 0.00 -0.41 -0.28 119.26 124.28 2jws h ALA 12 Ca -0.26 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.30 2jws h ALA 12 Cb 1.98 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2jws h ALA 12 CO 0.11 0.44 -1.58 1.57 0.00 0.00 0.00 179.25 179.79 2jws h LYS 13 N 1.04 0.22 -0.81 0.00 -0.00 -1.22 -2.55 116.57 113.24 2jws h LYS 13 Ca 0.33 -0.37 0.03 0.00 -0.00 0.00 0.00 60.65 60.64 2jws h LYS 13 Cb 0.02 0.14 -0.05 0.00 -0.00 0.00 0.00 32.23 32.34 2jws h LYS 13 CO -0.09 1.05 0.51 1.05 -0.00 0.00 0.00 179.45 181.97 2jws h GLU 14 N 0.06 0.96 -0.02 0.07 -0.00 -1.06 1.09 114.58 115.69 2jws h GLU 14 Ca -0.26 -0.06 -0.14 0.00 -0.00 0.00 0.00 59.36 58.90 2jws h GLU 14 Cb 2.01 -0.22 -0.02 0.00 -0.00 0.00 0.00 28.75 30.53 2jws h GLU 14 CO 0.14 0.64 -0.65 1.49 -0.00 0.00 0.00 179.01 180.64 2jws h GLU 15 N 0.99 0.09 -0.30 1.06 4.57 -1.17 -2.84 114.58 116.98 2jws h GLU 15 Ca 0.32 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.32 2jws h GLU 15 Cb 0.03 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2jws h GLU 15 CO -0.12 0.70 -0.28 0.00 -1.18 0.00 0.00 179.01 178.14 2jws h ALA 16 N 1.28 0.44 -0.67 2.92 0.00 -0.48 0.55 119.26 123.30 2jws h ALA 16 Ca -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2jws h ALA 16 Cb 1.15 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2jws h ALA 16 CO 0.09 0.45 0.34 0.97 0.00 0.00 0.00 179.25 181.11 2jws h ILE 17 N 0.47 1.21 -0.10 0.00 6.09 0.12 0.99 117.51 126.30 2jws h ILE 17 Ca 0.05 -0.55 -0.12 0.00 -1.37 0.00 0.00 64.86 62.88 2jws h ILE 17 Cb 0.85 0.33 -0.01 0.00 0.47 0.00 0.00 36.82 38.45 2jws h ILE 17 CO 0.07 0.24 -0.45 0.50 -3.07 0.00 0.00 178.15 175.43 2jws h LYS 18 N 0.94 0.24 0.25 2.19 3.64 -1.34 0.13 116.57 122.61 2jws h LYS 18 Ca 0.23 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2jws h LYS 18 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2jws h LYS 18 CO -0.03 0.65 -0.12 0.93 -2.27 0.00 0.00 179.45 178.60 2jws h GLU 19 N 0.19 -0.32 -0.03 1.90 3.07 0.15 -0.66 114.58 118.88 2jws h GLU 19 Ca 0.01 0.02 -0.20 0.00 -0.50 0.00 0.00 59.36 58.69 2jws h GLU 19 Cb 0.88 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.86 2jws h GLU 19 CO 0.07 -0.14 -0.85 1.25 -1.40 0.00 0.00 179.01 177.95 2jws h LEU 20 N -0.43 0.47 -1.54 1.33 5.85 -1.01 0.19 115.31 120.18 2jws h LEU 20 Ca -0.03 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 2jws h LEU 20 Cb 0.33 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2jws h LEU 20 CO 0.06 1.12 -0.12 0.58 -0.34 0.00 0.00 178.44 179.74 2jws h VAL 21 N 0.23 1.15 0.03 1.05 2.07 -0.70 1.05 116.25 121.13 2jws h VAL 21 Ca -0.05 -0.65 -0.32 0.00 0.82 0.00 0.00 66.70 66.50 2jws h VAL 21 Cb 1.46 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 2jws h VAL 21 CO 0.14 0.20 -1.89 -0.67 0.02 0.00 0.00 177.57 175.37 2jws n ASP 22 N -4.32 1.17 0.10 0.57 -0.08 -0.26 -4.06 116.55 109.66 2jws n ASP 22 Ca -0.01 0.29 0.13 0.00 -1.51 0.00 0.00 54.79 53.69 2jws n ASP 22 Cb 0.24 -0.18 0.33 0.00 2.34 0.00 0.00 41.12 43.84 2jws n ASP 22 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jws h ALA 23 N 0.71 0.88 -4.99 -1.67 0.00 -0.31 -3.50 119.26 110.38 2jws h ALA 23 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2jws h ALA 23 Cb 2.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 2jws h ALA 23 CO 0.07 0.00 -0.58 0.41 0.00 0.00 0.00 179.25 179.15 2jws n GLY 24 N 1.31 -2.47 1.47 0.00 0.00 0.36 -5.01 105.19 100.85 2jws n GLY 24 Ca 0.05 0.43 0.01 0.00 0.00 0.00 0.00 46.02 46.51 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 2.06 0.00 -1.28 -0.61 -5.35 -1.25 -5.06 119.36 107.87 2jws n ILE 25 Ca -0.10 -0.05 -0.27 0.00 -0.27 0.00 0.00 62.75 62.07 2jws n ILE 25 Cb 0.15 0.21 -0.16 0.00 -1.74 0.00 0.00 39.64 38.09 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 -2.24 0.60 0.16 -1.28 0.00 -1.26 -4.70 120.51 111.78 2jws n ALA 26 Ca -0.04 -0.46 0.19 0.00 0.00 0.00 0.00 53.44 53.12 2jws n ALA 26 Cb 0.21 -1.99 0.79 0.00 0.00 0.00 0.00 19.45 18.47 2jws n ALA 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2jws h GLU 27 N 9.80 0.00 -0.82 0.00 4.81 -1.98 -2.03 114.58 124.37 2jws h GLU 27 Ca -0.01 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.41 2jws h GLU 27 Cb 1.04 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.27 2jws h GLU 27 CO 1.28 0.00 -0.04 -0.22 -0.73 0.00 0.00 179.01 179.31 2jws h LYS 28 N 0.00 0.06 -0.03 1.92 1.63 -2.01 1.35 116.57 119.50 2jws h LYS 28 Ca 0.13 -0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.88 2jws h LYS 28 Cb 0.76 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.36 2jws h LYS 28 CO -0.00 0.04 -0.20 1.88 -3.45 0.00 0.00 179.45 177.72 2jws h TYR 29 N 0.07 0.05 0.00 1.91 -1.99 -1.74 0.17 116.97 115.44 2jws h TYR 29 Ca 0.45 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.16 2jws h TYR 29 Cb 0.79 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.51 2jws h TYR 29 CO -0.49 0.25 -0.05 0.97 -0.00 0.00 0.00 178.16 178.84 2jws h ILE 30 N 0.04 0.68 -0.00 -2.88 2.10 0.17 -1.53 117.51 116.09 2jws h ILE 30 Ca 0.01 -0.20 -0.25 0.00 1.08 0.00 0.00 64.86 65.50 2jws h ILE 30 Cb 0.38 1.12 0.01 0.00 -1.09 0.00 0.00 36.82 37.25 2jws h ILE 30 CO 0.03 0.05 -1.00 0.50 -1.08 0.00 0.00 178.15 176.65 2jws h LYS 31 N 0.00 0.57 -0.19 2.19 3.64 -0.23 0.90 116.57 123.45 2jws h LYS 31 Ca -0.00 -0.61 -0.01 0.00 -1.27 0.00 0.00 60.65 58.75 2jws h LYS 31 Cb 0.12 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2jws h LYS 31 CO 0.01 1.23 0.07 -0.07 -2.27 0.00 0.00 179.45 178.42 2jws h LEU 32 N 0.32 0.23 0.04 5.20 3.38 -1.12 0.21 115.31 123.57 2jws h LEU 32 Ca -0.11 -0.02 -0.31 0.00 0.09 0.00 0.00 57.88 57.54 2jws h LEU 32 Cb 1.64 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.30 2jws h LEU 32 CO 0.19 0.22 -1.70 2.30 0.09 0.00 0.00 178.44 179.53 2jws n ILE 33 N -4.45 1.61 0.21 1.22 -5.35 -1.07 -3.16 119.36 108.36 2jws n ILE 33 Ca -0.00 -0.29 0.12 0.00 -0.27 0.00 0.00 62.75 62.31 2jws n ILE 33 Cb 0.12 -1.90 0.70 0.00 -1.74 0.00 0.00 39.64 36.82 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 -0.36 2.02 0.00 -1.28 0.00 0.95 0.34 119.26 120.93 2jws h ALA 34 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2jws h ALA 34 Cb 1.59 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2jws h ALA 34 CO -0.14 -0.15 -0.75 -0.97 0.00 0.00 0.00 179.25 177.24 2jws h ASN 35 N 0.00 0.00 0.00 0.00 -0.73 -0.74 -3.50 115.58 110.62 2jws h ASN 35 Ca 0.05 -0.16 0.00 0.00 1.87 0.00 0.00 56.30 58.06 2jws h ASN 35 Cb 0.23 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.82 2jws h ASN 35 CO -0.00 0.08 0.00 0.00 -0.37 0.00 0.00 177.43 177.14 2jws n ALA 36 N -1.93 0.00 0.00 1.57 0.00 0.11 -4.91 120.51 115.35 2jws n ALA 36 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2jws n ALA 36 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 13.75 0.00 -3.39 0.00 3.00 -1.26 -4.78 118.16 125.47 2jws n LYS 37 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.04 2jws n LYS 37 Cb 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 35.03 34.88 2jws n LYS 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2jws s THR 38 N -2.42 0.21 0.28 3.15 2.01 -1.26 -5.01 115.64 112.60 2jws s THR 38 Ca 0.00 -2.28 -0.05 0.00 0.31 0.00 0.00 61.69 59.67 2jws s THR 38 Cb 0.00 -1.15 0.42 0.00 0.01 0.00 0.00 72.50 71.78 2jws s THR 38 CO 0.00 -1.11 1.57 1.62 -0.69 0.00 0.00 174.62 176.01 2jws h VAL 39 N 4.76 0.05 -0.78 3.82 3.04 -1.95 1.20 116.25 126.39 2jws h VAL 39 Ca 0.20 -0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.86 2jws h VAL 39 Cb 0.94 0.04 -0.04 0.00 -2.01 0.00 0.00 31.29 30.22 2jws h VAL 39 CO 0.32 0.00 0.39 -0.08 -1.01 0.00 0.00 177.57 177.20 2jws h GLU 40 N 0.01 1.11 -0.15 4.17 4.81 -1.95 -2.74 114.58 119.83 2jws h GLU 40 Ca 0.51 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 2jws h GLU 40 Cb 0.89 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 2jws h GLU 40 CO -0.95 0.85 -0.05 0.78 -0.73 0.00 0.00 179.01 178.91 2jws h GLY 41 N 1.09 0.32 -0.49 1.92 0.00 0.62 -1.57 103.07 104.97 2jws h GLY 41 Ca 0.27 -0.27 0.31 0.00 0.00 0.00 0.00 47.33 47.63 2jws h GLY 41 CO -0.04 0.25 0.54 -2.08 0.00 0.00 0.00 176.54 175.21 2jws h VAL 42 N -0.01 0.32 0.02 4.60 2.07 0.78 1.85 116.25 125.88 2jws h VAL 42 Ca 0.04 -0.12 -0.21 0.00 0.82 0.00 0.00 66.70 67.24 2jws h VAL 42 Cb 0.49 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2jws h VAL 42 CO 0.02 0.06 -0.96 -0.25 0.02 0.00 0.00 177.57 176.46 2jws h TRP 43 N 0.34 0.16 0.03 1.57 2.91 -1.33 -2.78 115.95 116.83 2jws h TRP 43 Ca 0.71 -0.10 -0.00 0.00 1.13 0.00 0.00 58.89 60.63 2jws h TRP 43 Cb 1.59 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 30.22 2jws h TRP 43 CO -0.03 0.99 -0.01 1.15 -1.03 0.00 0.00 178.44 179.50 2jws h THR 44 N 0.04 1.10 -0.72 2.65 2.02 0.20 -2.64 112.91 115.57 2jws h THR 44 Ca -0.04 -1.73 0.13 0.00 0.77 0.00 0.00 66.41 65.54 2jws h THR 44 Cb 1.64 2.04 -0.05 0.00 -1.74 0.00 0.00 68.15 70.05 2jws h THR 44 CO 0.14 0.36 0.48 -0.07 0.37 0.00 0.00 175.52 176.79 2jws h LEU 45 N -0.97 0.43 0.55 2.58 3.38 0.22 0.64 115.31 122.14 2jws h LEU 45 Ca -0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2jws h LEU 45 Cb 0.61 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.30 2jws h LEU 45 CO 0.01 0.24 -0.27 0.50 0.09 0.00 0.00 178.44 179.01 2jws h LYS 46 N 0.46 -0.71 -0.02 1.13 3.64 -1.58 0.92 116.57 120.42 2jws h LYS 46 Ca 0.35 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.77 2jws h LYS 46 Cb 0.70 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2jws h LYS 46 CO -0.11 -0.43 -0.02 0.22 -2.27 0.00 0.00 179.45 176.85 2jws h ASP 47 N -1.12 0.02 0.02 4.20 1.82 -1.04 -1.73 116.42 118.60 2jws h ASP 47 Ca -0.08 -0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.56 2jws h ASP 47 Cb 0.62 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.62 2jws h ASP 47 CO 0.12 0.04 -0.01 -0.08 -1.61 0.00 0.00 179.24 177.70 2jws h GLU 48 N 0.02 -0.03 -0.18 0.28 4.81 0.34 -2.64 114.58 117.18 2jws h GLU 48 Ca 0.01 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 2jws h GLU 48 Cb 0.04 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2jws h GLU 48 CO 0.00 0.61 0.25 0.97 -0.73 0.00 0.00 179.01 180.12 2jws h ILE 49 N -0.96 0.32 0.08 2.32 6.09 0.11 0.38 117.51 125.85 2jws h ILE 49 Ca -0.00 0.00 -0.27 0.00 -1.37 0.00 0.00 64.86 63.22 2jws h ILE 49 Cb 0.66 0.78 -0.01 0.00 0.47 0.00 0.00 36.82 38.72 2jws h ILE 49 CO 0.01 0.00 -1.32 0.25 -3.07 0.00 0.00 178.15 174.02 2jws h LEU 50 N 0.00 0.26 -2.45 2.19 5.85 -1.38 -3.24 115.31 116.55 2jws h LEU 50 Ca 0.08 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.50 2jws h LEU 50 Cb 0.59 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 2jws h LEU 50 CO -0.00 1.26 0.05 0.74 -0.34 0.00 0.00 178.44 180.15 2jws h THR 51 N 0.05 0.47 -0.20 1.05 2.02 0.14 -0.12 112.91 116.32 2jws h THR 51 Ca -0.15 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2jws h THR 51 Cb 1.94 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2jws h THR 51 CO 0.16 0.00 0.00 2.22 0.37 0.00 0.00 175.52 178.27 2jws n PHE 52 N -3.78 0.71 -2.81 3.16 -1.74 -1.04 -4.03 117.46 107.94 2jws n PHE 52 Ca -0.02 -0.25 -0.11 0.00 -0.56 0.00 0.00 57.45 56.52 2jws n PHE 52 Cb 0.14 -0.23 0.05 0.00 1.52 0.00 0.00 39.48 40.95 2jws n PHE 52 CO 0.00 0.00 0.00 -2.37 -0.56 0.00 0.00 176.76 173.83 2jws n THR 53 N 0.22 0.32 -3.58 1.97 5.66 -0.06 -5.08 114.28 113.72 2jws n THR 53 Ca 0.10 -2.78 -0.16 0.00 -3.05 0.00 0.00 64.05 58.15 2jws n THR 53 Cb 0.56 0.67 -0.14 0.00 -1.55 0.00 0.00 70.33 69.87 2jws n THR 53 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2jws s VAL 54 N -1.60 -0.34 -0.48 1.08 1.01 -1.26 -5.04 120.40 113.78 2jws s VAL 54 Ca 0.28 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.44 2jws s VAL 54 Cb 0.39 -0.52 0.23 0.00 0.00 0.00 0.00 36.38 36.49 2jws s VAL 54 CO -0.03 -0.02 0.54 0.35 0.00 0.00 0.00 175.10 175.94 2jws n THR 55 N 5.33 0.14 0.21 3.92 -2.24 -1.26 -5.11 114.28 115.26 2jws n THR 55 Ca -0.05 -4.27 0.03 0.00 -2.27 0.00 0.00 64.05 57.48 2jws n THR 55 Cb 0.50 -1.96 0.02 0.00 -2.10 0.00 0.00 70.33 66.79 2jws n THR 55 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71