#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwu s THR 2 N 0.00 2.37 -0.19 12.58 2.01 -1.26 -1.07 115.64 130.08 2jwu s THR 2 Ca 0.00 -1.06 -0.09 0.00 0.31 0.00 0.00 61.69 60.85 2jwu s THR 2 Cb 0.00 -2.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 2jwu s THR 2 CO 0.00 0.34 0.11 -0.31 -0.69 0.00 0.00 174.62 174.07 2jwu s TYR 3 N 1.28 3.36 -0.07 4.92 2.02 0.39 -4.76 117.35 124.49 2jwu s TYR 3 Ca 0.01 0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.98 2jwu s TYR 3 Cb -0.15 -2.12 -0.03 0.00 -0.40 0.00 0.00 41.96 39.26 2jwu s TYR 3 CO -0.09 0.26 -0.11 0.21 -1.57 0.00 0.00 175.55 174.25 2jwu s LYS 4 N 0.32 2.71 -0.03 -0.62 2.20 -1.00 0.12 119.74 123.43 2jwu s LYS 4 Ca 0.07 -0.63 0.01 0.00 -0.36 0.00 0.00 55.97 55.05 2jwu s LYS 4 Cb -0.11 -2.50 0.02 0.00 -1.51 0.00 0.00 37.83 33.73 2jwu s LYS 4 CO -0.01 0.59 -0.03 -1.17 -0.36 0.00 0.00 175.35 174.38 2jwu s LEU 5 N -0.64 1.43 -0.09 5.43 2.96 -0.86 0.61 118.68 127.53 2jwu s LEU 5 Ca 0.09 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 2jwu s LEU 5 Cb -0.11 -0.29 0.02 0.00 0.50 0.00 0.00 46.19 46.30 2jwu s LEU 5 CO 0.01 -0.05 -0.08 0.27 -1.32 0.00 0.00 176.35 175.19 2jwu s ILE 6 N 0.70 0.96 -0.13 6.68 -4.36 -0.76 -1.36 121.20 122.92 2jwu s ILE 6 Ca -0.08 -0.28 -0.04 0.00 -0.26 0.00 0.00 60.65 59.99 2jwu s ILE 6 Cb -0.11 -0.96 -0.03 0.00 1.25 0.00 0.00 42.46 42.60 2jwu s ILE 6 CO -0.01 0.35 -0.00 -0.76 0.24 0.00 0.00 174.94 174.75 2jwu s LEU 7 N 1.45 3.48 -0.71 0.37 1.02 0.21 -2.39 118.68 122.11 2jwu s LEU 7 Ca -0.00 0.01 0.04 0.00 0.02 0.00 0.00 54.13 54.20 2jwu s LEU 7 Cb -0.13 -1.83 0.26 0.00 0.02 0.00 0.00 46.19 44.51 2jwu s LEU 7 CO -0.05 0.25 0.86 0.59 0.02 0.00 0.00 176.35 178.02 2jwu n ASN 8 N 3.02 4.18 -4.86 2.29 3.02 -0.99 -2.08 115.26 119.85 2jwu n ASN 8 Ca -0.18 -3.44 -0.29 0.00 -0.03 0.00 0.00 54.58 50.64 2jwu n ASN 8 Cb 0.53 -0.76 0.11 0.00 -0.61 0.00 0.00 39.78 39.04 2jwu n ASN 8 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 2jwu s LEU 9 N -2.53 2.33 -0.12 3.41 2.34 -1.09 -2.35 118.68 120.66 2jwu s LEU 9 Ca 0.39 0.84 -0.27 0.00 0.06 0.00 0.00 54.13 55.15 2jwu s LEU 9 Cb 0.13 -3.27 -0.23 0.00 -0.56 0.00 0.00 46.19 42.26 2jwu s LEU 9 CO 0.01 -2.14 0.79 0.11 -1.06 0.00 0.00 176.35 174.06 2jwu h LYS 10 N -1.22 -0.01 0.00 1.48 1.57 -1.98 -3.29 116.57 113.13 2jwu h LYS 10 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2jwu h LYS 10 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 2jwu h LYS 10 CO 0.64 0.85 0.04 -0.56 -0.57 0.00 0.00 179.45 179.85 2jwu h GLN 11 N -0.93 0.00 0.00 3.15 3.07 -2.04 -3.46 115.11 114.90 2jwu h GLN 11 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2jwu h GLN 11 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.42 2jwu h GLN 11 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.83 178.92 2jwu n ALA 12 N -1.93 0.00 -3.74 0.06 0.00 -1.24 -5.13 120.51 108.52 2jwu n ALA 12 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 2jwu n ALA 12 Cb 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.38 2jwu n ALA 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jwu s LYS 13 N -1.40 0.74 -0.13 0.00 1.02 -1.26 -2.68 119.74 116.02 2jwu s LYS 13 Ca 0.00 -0.65 -0.03 0.00 0.02 0.00 0.00 55.97 55.31 2jwu s LYS 13 Cb 0.00 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 2jwu s LYS 13 CO 0.00 -0.75 -0.01 -1.21 -0.92 0.00 0.00 175.35 172.46 2jwu s GLU 14 N 1.76 3.46 -0.10 1.68 0.41 -0.88 -5.02 118.70 120.02 2jwu s GLU 14 Ca 0.02 -0.46 -0.10 0.00 -0.41 0.00 0.00 54.97 54.02 2jwu s GLU 14 Cb -0.17 -2.90 0.03 0.00 -1.78 0.00 0.00 34.13 29.30 2jwu s GLU 14 CO -0.14 0.41 0.28 -1.83 -0.49 0.00 0.00 175.26 173.49 2jwu s GLU 15 N -0.08 0.35 0.32 1.61 4.04 -1.26 0.66 118.70 124.34 2jwu s GLU 15 Ca 0.03 0.35 -0.08 0.00 0.04 0.00 0.00 54.97 55.31 2jwu s GLU 15 Cb -0.13 0.17 0.03 0.00 0.02 0.00 0.00 34.13 34.22 2jwu s GLU 15 CO 0.02 -0.05 0.56 0.00 -1.84 0.00 0.00 175.26 173.95 2jwu n ALA 16 N 2.82 -0.96 -3.56 -0.84 0.00 -0.46 -5.01 120.51 112.50 2jwu n ALA 16 Ca -0.13 -1.21 -0.14 0.00 0.00 0.00 0.00 53.44 51.95 2jwu n ALA 16 Cb 0.58 0.97 -0.15 0.00 0.00 0.00 0.00 19.45 20.85 2jwu n ALA 16 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2jwu s ILE 17 N -2.48 -0.04 -0.02 0.00 1.10 -1.26 -2.02 121.20 116.48 2jwu s ILE 17 Ca 0.19 0.16 0.02 0.00 -0.51 0.00 0.00 60.65 60.50 2jwu s ILE 17 Cb -0.03 -0.11 0.00 0.00 0.15 0.00 0.00 42.46 42.48 2jwu s ILE 17 CO 0.14 0.06 -0.05 -0.54 -2.11 0.00 0.00 174.94 172.44 2jwu s LYS 18 N 0.84 0.57 0.29 3.50 -0.14 0.31 -4.99 119.74 120.12 2jwu s LYS 18 Ca -0.07 -0.17 -0.09 0.00 -1.36 0.00 0.00 55.97 54.28 2jwu s LYS 18 Cb -0.10 -0.57 -0.07 0.00 -1.68 0.00 0.00 37.83 35.41 2jwu s LYS 18 CO -0.03 0.06 0.61 -1.21 -0.76 0.00 0.00 175.35 174.02 2jwu s GLU 19 N 0.20 3.78 0.00 1.68 2.02 -1.26 0.15 118.70 125.26 2jwu s GLU 19 Ca -0.02 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.25 2jwu s GLU 19 Cb -0.06 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.59 2jwu s GLU 19 CO -0.00 0.21 0.00 1.28 0.02 0.00 0.00 175.26 176.77 2jwu n LEU 20 N -0.59 0.00 -0.11 1.80 4.77 -0.23 -4.79 117.00 117.85 2jwu n LEU 20 Ca 0.01 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.76 2jwu n LEU 20 Cb 0.53 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 2jwu n LEU 20 CO 0.46 0.00 -1.28 1.33 -1.33 0.00 0.00 177.39 176.57 2jwu n VAL 21 N 0.00 1.26 -4.29 4.08 0.24 -1.26 0.44 118.33 118.79 2jwu n VAL 21 Ca 0.00 -0.35 -0.17 0.00 -2.04 0.00 0.00 64.34 61.78 2jwu n VAL 21 Cb 0.00 -1.71 -0.06 0.00 -1.47 0.00 0.00 33.84 30.60 2jwu n VAL 21 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2jwu n ASP 22 N -3.87 0.31 0.05 -1.34 -0.08 -1.26 -4.69 116.55 105.67 2jwu n ASP 22 Ca -0.44 -2.64 -0.18 0.00 -1.51 0.00 0.00 54.79 50.02 2jwu n ASP 22 Cb 0.84 1.02 -0.14 0.00 2.34 0.00 0.00 41.12 45.17 2jwu n ASP 22 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jwu h ALA 23 N 1.66 0.30 -0.45 -1.67 0.00 -1.98 -2.57 119.26 114.55 2jwu h ALA 23 Ca -0.21 -1.17 0.09 0.00 0.00 0.00 0.00 54.91 53.63 2jwu h ALA 23 Cb 0.91 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 2jwu h ALA 23 CO 0.32 1.16 -0.17 0.00 0.00 0.00 0.00 179.25 180.57 2jwu h ALA 24 N 0.42 0.21 -0.23 0.00 0.00 -1.99 1.15 119.26 118.82 2jwu h ALA 24 Ca -0.28 0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2jwu h ALA 24 Cb 2.03 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 20.26 2jwu h ALA 24 CO 0.15 -0.51 -0.35 1.15 0.00 0.00 0.00 179.25 179.70 2jwu h THR 25 N -0.07 1.32 -0.26 0.00 2.02 -2.00 -2.81 112.91 111.12 2jwu h THR 25 Ca 0.22 -1.55 0.06 0.00 0.77 0.00 0.00 66.41 65.91 2jwu h THR 25 Cb 0.40 1.77 -0.07 0.00 -1.74 0.00 0.00 68.15 68.51 2jwu h THR 25 CO -0.50 0.48 -0.25 0.00 0.37 0.00 0.00 175.52 175.63 2jwu h ALA 26 N 0.64 -0.13 -0.95 6.16 0.00 -0.72 0.42 119.26 124.68 2jwu h ALA 26 Ca 0.02 0.08 0.23 0.00 0.00 0.00 0.00 54.91 55.24 2jwu h ALA 26 Cb 0.93 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 2jwu h ALA 26 CO 0.08 -0.67 0.63 1.49 0.00 0.00 0.00 179.25 180.78 2jwu h GLU 27 N -0.25 0.36 -0.16 0.00 4.81 0.13 1.77 114.58 121.25 2jwu h GLU 27 Ca 0.14 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 2jwu h GLU 27 Cb 0.47 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2jwu h GLU 27 CO -0.40 0.24 -0.07 -0.22 -0.73 0.00 0.00 179.01 177.83 2jwu h LYS 28 N 0.38 0.33 0.15 1.92 3.64 0.01 -1.59 116.57 121.40 2jwu h LYS 28 Ca 0.50 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 2jwu h LYS 28 Cb 1.31 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2jwu h LYS 28 CO -0.19 0.64 -0.07 -0.92 -2.27 0.00 0.00 179.45 176.63 2jwu h TYR 29 N 0.01 -0.18 -1.03 1.91 5.03 0.11 -2.68 116.97 120.14 2jwu h TYR 29 Ca 0.04 -0.00 0.26 0.00 2.58 0.00 0.00 58.73 61.60 2jwu h TYR 29 Cb 0.53 0.06 -0.10 0.00 1.55 0.00 0.00 36.73 38.77 2jwu h TYR 29 CO 0.06 -0.11 0.65 0.74 -1.32 0.00 0.00 178.16 178.18 2jwu h PHE 30 N -0.94 0.76 -0.03 -3.82 0.04 0.24 0.36 116.94 113.55 2jwu h PHE 30 Ca -0.02 0.03 -0.19 0.00 2.80 0.00 0.00 57.97 60.58 2jwu h PHE 30 Cb 0.15 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 2jwu h PHE 30 CO 0.00 0.07 -0.81 -0.22 -0.60 0.00 0.00 178.31 176.76 2jwu h LYS 31 N 0.46 0.33 0.00 1.51 3.64 -1.40 -2.58 116.57 118.53 2jwu h LYS 31 Ca 0.61 -0.31 -0.04 0.00 -1.27 0.00 0.00 60.65 59.63 2jwu h LYS 31 Cb 1.41 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.30 2jwu h LYS 31 CO -0.34 0.98 -0.21 -0.07 -2.27 0.00 0.00 179.45 177.53 2jwu h LEU 32 N 0.21 0.00 0.01 5.20 4.07 0.02 -1.47 115.31 123.34 2jwu h LEU 32 Ca -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 2jwu h LEU 32 Cb 1.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.15 2jwu h LEU 32 CO 0.13 0.21 -0.00 0.22 -1.08 0.00 0.00 178.44 177.92 2jwu h TYR 33 N 0.00 -0.01 -0.70 1.13 5.03 -1.07 -2.38 116.97 118.97 2jwu h TYR 33 Ca -0.00 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.38 2jwu h TYR 33 Cb 0.49 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.73 2jwu h TYR 33 CO 0.00 0.49 0.46 0.00 -1.32 0.00 0.00 178.16 177.79 2jwu h ALA 34 N -0.50 1.76 0.04 1.82 0.00 -1.44 0.91 119.26 121.85 2jwu h ALA 34 Ca -0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 2jwu h ALA 34 Cb 0.50 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.13 2jwu h ALA 34 CO 0.00 0.12 -1.09 -0.97 0.00 0.00 0.00 179.25 177.32 2jwu h ASN 35 N 0.69 0.76 0.02 0.00 -1.24 -1.39 -2.29 115.58 112.12 2jwu h ASN 35 Ca 0.31 -0.65 -0.00 0.00 0.71 0.00 0.00 56.30 56.67 2jwu h ASN 35 Cb 0.31 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.12 2jwu h ASN 35 CO -0.10 1.45 -0.01 0.00 -1.29 0.00 0.00 177.43 177.48 2jwu h ALA 36 N 0.48 -0.03 -0.28 1.57 0.00 -0.84 -3.42 119.26 116.75 2jwu h ALA 36 Ca -0.13 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jwu h ALA 36 Cb 1.74 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2jwu h ALA 36 CO 0.20 -0.04 0.00 1.63 0.00 0.00 0.00 179.25 181.05 2jwu n LYS 37 N -4.72 0.00 0.00 0.00 4.01 0.31 -4.95 118.16 112.82 2jwu n LYS 37 Ca -0.06 0.45 0.00 0.00 -0.51 0.00 0.00 58.31 58.20 2jwu n LYS 37 Cb 0.26 -1.14 0.00 0.00 -0.51 0.00 0.00 35.03 33.64 2jwu n LYS 37 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2jwu n THR 38 N -1.86 0.00 -4.11 -0.18 -1.04 -0.89 -5.03 114.28 101.17 2jwu n THR 38 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 2jwu n THR 38 Cb 0.00 -0.99 -0.06 0.00 -1.82 0.00 0.00 70.33 67.47 2jwu n THR 38 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2jwu s VAL 39 N 1.01 3.50 -0.48 12.58 1.01 -1.04 -4.30 120.40 132.69 2jwu s VAL 39 Ca 0.00 -1.64 -0.17 0.00 0.00 0.00 0.00 61.98 60.16 2jwu s VAL 39 Cb 0.00 -3.06 0.06 0.00 0.00 0.00 0.00 36.38 33.38 2jwu s VAL 39 CO 0.00 -0.27 0.50 -1.83 0.00 0.00 0.00 175.10 173.50 2jwu s GLU 40 N -3.82 3.06 0.00 2.72 -1.05 -1.26 -4.65 118.70 113.69 2jwu s GLU 40 Ca 0.36 -1.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.11 2jwu s GLU 40 Cb -0.05 -4.09 0.00 0.00 -0.44 0.00 0.00 34.13 29.55 2jwu s GLU 40 CO 0.23 -1.08 0.00 0.41 0.95 0.00 0.00 175.26 175.77 2jwu n GLY 41 N 5.18 4.19 3.71 -3.83 0.00 -1.24 -5.01 105.19 108.19 2jwu n GLY 41 Ca -0.09 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 2jwu n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jwu s VAL 42 N 3.67 2.22 0.03 1.61 1.01 0.12 -4.78 120.40 124.28 2jwu s VAL 42 Ca 0.00 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.11 2jwu s VAL 42 Cb 0.00 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 2jwu s VAL 42 CO 0.00 -0.07 -0.11 0.26 0.00 0.00 0.00 175.10 175.19 2jwu s TRP 43 N -2.13 0.92 0.06 5.22 0.52 -1.26 -2.29 118.94 119.97 2jwu s TRP 43 Ca 0.73 -0.36 -0.22 0.00 0.02 0.00 0.00 56.10 56.27 2jwu s TRP 43 Cb -0.28 -0.55 0.05 0.00 -1.15 0.00 0.00 33.47 31.54 2jwu s TRP 43 CO 0.49 -0.01 0.52 0.95 0.02 0.00 0.00 176.95 178.92 2jwu s THR 44 N -0.91 0.03 0.12 2.01 -4.23 0.13 -4.97 115.64 107.81 2jwu s THR 44 Ca -0.02 -0.24 0.05 0.00 -1.18 0.00 0.00 61.69 60.30 2jwu s THR 44 Cb -0.08 -0.99 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 2jwu s THR 44 CO 0.01 -0.13 -0.12 -0.47 -0.54 0.00 0.00 174.62 173.36 2jwu s TYR 45 N -2.57 1.28 -0.15 3.99 5.04 -1.26 -0.20 117.35 123.48 2jwu s TYR 45 Ca -0.05 -0.60 0.02 0.00 -2.44 0.00 0.00 57.07 54.00 2jwu s TYR 45 Cb -0.01 -0.68 0.02 0.00 0.35 0.00 0.00 41.96 41.64 2jwu s TYR 45 CO -0.03 0.10 -0.20 0.15 -1.34 0.00 0.00 175.55 174.23 2jwu s LYS 46 N -2.78 2.81 -0.21 4.97 -0.14 0.24 -4.97 119.74 119.67 2jwu s LYS 46 Ca 0.08 -0.77 0.08 0.00 -1.36 0.00 0.00 55.97 54.00 2jwu s LYS 46 Cb -0.04 -2.36 0.56 0.00 -1.68 0.00 0.00 37.83 34.32 2jwu s LYS 46 CO 0.02 -0.11 1.46 -0.25 -0.76 0.00 0.00 175.35 175.71 2jwu n ASP 47 N 4.33 4.20 -0.04 2.83 9.92 -1.26 -2.42 116.55 134.12 2jwu n ASP 47 Ca -0.20 -2.79 -0.13 0.00 -0.53 0.00 0.00 54.79 51.15 2jwu n ASP 47 Cb 0.51 -0.66 -0.14 0.00 -0.64 0.00 0.00 41.12 40.18 2jwu n ASP 47 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2jwu n GLU 48 N 0.17 0.67 -1.06 -1.24 -0.58 -1.26 -4.73 120.64 112.61 2jwu n GLU 48 Ca 0.26 0.22 -0.05 0.00 -0.42 0.00 0.00 57.16 57.17 2jwu n GLU 48 Cb 1.03 -1.70 -0.04 0.00 -0.57 0.00 0.00 31.44 30.16 2jwu n GLU 48 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2jwu n THR 49 N -3.12 0.00 -2.79 2.62 -1.04 -1.26 -5.07 114.28 103.63 2jwu n THR 49 Ca -0.26 -0.09 -0.04 0.00 -2.04 0.00 0.00 64.05 61.63 2jwu n THR 49 Cb 1.07 0.45 0.01 0.00 -1.82 0.00 0.00 70.33 70.03 2jwu n THR 49 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2jwu n LYS 50 N -0.13 -2.96 -3.74 -2.82 5.02 -1.08 -4.71 118.16 107.73 2jwu n LYS 50 Ca -0.21 2.47 -0.15 0.00 -2.02 0.00 0.00 58.31 58.39 2jwu n LYS 50 Cb 0.63 -5.49 -0.16 0.00 -0.02 0.00 0.00 35.03 29.99 2jwu n LYS 50 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2jwu s THR 51 N -2.09 -0.08 0.07 -0.18 2.01 -1.01 -2.37 115.64 111.98 2jwu s THR 51 Ca 0.12 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.37 2jwu s THR 51 Cb -0.03 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.28 2jwu s THR 51 CO 0.77 0.10 0.21 -0.36 -0.69 0.00 0.00 174.62 174.65 2jwu s PHE 52 N 1.32 3.49 -0.09 4.92 0.40 0.20 0.82 117.98 129.05 2jwu s PHE 52 Ca -0.07 0.23 -0.04 0.00 -0.60 0.00 0.00 56.93 56.46 2jwu s PHE 52 Cb -0.12 -1.74 0.05 0.00 0.51 0.00 0.00 43.02 41.71 2jwu s PHE 52 CO -0.04 0.58 0.18 -0.08 0.70 0.00 0.00 175.22 176.55 2jwu s THR 53 N -1.52 -0.27 -0.08 0.64 -1.32 0.72 -1.83 115.64 111.98 2jwu s THR 53 Ca 0.35 0.34 -0.01 0.00 -1.21 0.00 0.00 61.69 61.16 2jwu s THR 53 Cb -0.13 -0.31 0.03 0.00 -1.51 0.00 0.00 72.50 70.57 2jwu s THR 53 CO 0.28 0.14 -0.03 0.54 -2.21 0.00 0.00 174.62 173.33 2jwu s VAL 54 N 2.26 0.61 0.39 5.08 0.11 -1.01 0.19 120.40 128.04 2jwu s VAL 54 Ca 0.02 -0.06 0.08 0.00 -2.93 0.00 0.00 61.98 59.09 2jwu s VAL 54 Cb -0.12 -0.70 -0.07 0.00 -1.53 0.00 0.00 36.38 33.96 2jwu s VAL 54 CO -0.06 0.29 -0.01 0.28 -3.33 0.00 0.00 175.10 172.26 2jwu s THR 55 N 1.66 2.08 -2.00 5.04 -1.32 -0.97 -2.34 115.64 117.79 2jwu s THR 55 Ca 0.01 -2.05 0.31 0.00 -1.21 0.00 0.00 61.69 58.76 2jwu s THR 55 Cb -0.13 -2.90 0.89 0.00 -1.51 0.00 0.00 72.50 68.85 2jwu s THR 55 CO -0.05 -0.06 2.19 1.21 -2.21 0.00 0.00 174.62 175.71