#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 2.26 -0.16 12.58 -1.32 -1.26 -0.96 115.64 126.77 2jwu s THR 2 Ca 0.00 -1.09 -0.05 0.00 -1.21 0.00 0.00 61.69 59.34 2jwu s THR 2 Cb 0.00 -2.07 -0.03 0.00 -1.51 0.00 0.00 72.50 68.89 2jwu s THR 2 CO 0.00 0.36 0.01 -0.31 -2.21 0.00 0.00 174.62 172.47 2jwu s TYR 3 N 1.26 3.15 -0.08 9.09 2.02 0.33 -4.71 117.35 128.41 2jwu s TYR 3 Ca 0.01 -0.09 0.01 0.00 -0.37 0.00 0.00 57.07 56.63 2jwu s TYR 3 Cb -0.15 -2.01 -0.03 0.00 -0.40 0.00 0.00 41.96 39.37 2jwu s TYR 3 CO -0.10 0.09 -0.09 0.21 -1.57 0.00 0.00 175.55 174.09 2jwu s LYS 4 N 0.30 2.86 -0.05 -0.62 2.36 -1.00 0.11 119.74 123.70 2jwu s LYS 4 Ca 0.00 -0.59 0.01 0.00 -2.55 0.00 0.00 55.97 52.84 2jwu s LYS 4 Cb -0.13 -2.58 0.02 0.00 -1.05 0.00 0.00 37.83 34.09 2jwu s LYS 4 CO 0.01 0.56 -0.06 -1.17 1.55 0.00 0.00 175.35 176.25 2jwu s LEU 5 N -0.55 1.36 -0.18 5.43 2.96 -0.57 0.77 118.68 127.90 2jwu s LEU 5 Ca 0.08 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 2jwu s LEU 5 Cb -0.12 -0.52 0.03 0.00 0.50 0.00 0.00 46.19 46.09 2jwu s LEU 5 CO 0.02 -0.04 -0.13 0.27 -1.32 0.00 0.00 176.35 175.14 2jwu s ILE 6 N 0.92 1.70 -0.13 6.68 -4.36 -0.97 -1.45 121.20 123.58 2jwu s ILE 6 Ca -0.11 -0.87 -0.03 0.00 -0.26 0.00 0.00 60.65 59.38 2jwu s ILE 6 Cb -0.14 -1.66 -0.03 0.00 1.25 0.00 0.00 42.46 41.87 2jwu s ILE 6 CO 0.00 0.34 -0.01 -0.76 0.24 0.00 0.00 174.94 174.75 2jwu s LEU 7 N 1.41 3.42 -0.26 0.37 1.02 0.41 -2.35 118.68 122.71 2jwu s LEU 7 Ca 0.02 -0.00 0.03 0.00 0.02 0.00 0.00 54.13 54.19 2jwu s LEU 7 Cb -0.14 -1.81 0.06 0.00 0.02 0.00 0.00 46.19 44.32 2jwu s LEU 7 CO -0.10 0.25 -0.10 0.20 0.02 0.00 0.00 176.35 176.62 2jwu s ASN 8 N -0.14 4.35 0.59 2.29 0.01 -1.04 -1.52 114.94 119.48 2jwu s ASN 8 Ca 0.04 -1.36 0.06 0.00 -0.71 0.00 0.00 52.86 50.89 2jwu s ASN 8 Cb -0.13 -1.49 0.10 0.00 0.41 0.00 0.00 41.25 40.15 2jwu s ASN 8 CO 0.02 -0.20 0.79 0.18 -1.51 0.00 0.00 177.10 176.39 2jwu n LEU 9 N 4.47 0.00 -2.43 0.60 4.77 -1.07 -1.91 117.00 121.43 2jwu n LEU 9 Ca -0.14 -2.20 -0.29 0.00 -0.03 0.00 0.00 56.01 53.35 2jwu n LEU 9 Cb 0.42 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2jwu n LEU 9 CO 0.21 -0.77 1.47 0.29 -1.33 0.00 0.00 177.39 177.26 2jwu n LYS 10 N -2.33 2.40 0.00 3.23 5.02 -1.26 -4.17 118.16 121.06 2jwu n LYS 10 Ca 0.15 -2.62 0.00 0.00 -2.02 0.00 0.00 58.31 53.82 2jwu n LYS 10 Cb 0.55 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 2jwu n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jwu n GLN 11 N 0.11 0.00 -3.70 1.97 10.64 -1.26 -5.15 117.38 119.98 2jwu n GLN 11 Ca 0.49 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.54 2jwu n GLN 11 Cb 0.50 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.82 2jwu n GLN 11 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2jwu s ALA 12 N -1.39 -0.83 -0.24 2.61 0.00 -1.26 -5.15 121.76 115.51 2jwu s ALA 12 Ca 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 51.96 51.96 2jwu s ALA 12 Cb 0.00 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 2jwu s ALA 12 CO 0.00 -0.48 0.08 0.15 0.00 0.00 0.00 175.76 175.51 2jwu s LYS 13 N -2.85 3.73 -0.12 0.00 1.02 -1.26 -2.60 119.74 117.65 2jwu s LYS 13 Ca -0.03 -0.44 0.03 0.00 0.02 0.00 0.00 55.97 55.55 2jwu s LYS 13 Cb 0.00 -3.33 0.01 0.00 -0.52 0.00 0.00 37.83 33.99 2jwu s LYS 13 CO -0.05 -0.10 -0.23 -2.00 -0.92 0.00 0.00 175.35 172.05 2jwu s GLU 14 N 1.40 3.03 0.03 1.68 2.56 -0.58 -5.04 118.70 121.78 2jwu s GLU 14 Ca 0.05 -0.87 0.02 0.00 0.00 0.00 0.00 54.97 54.18 2jwu s GLU 14 Cb -0.15 -2.38 -0.02 0.00 2.00 0.00 0.00 34.13 33.59 2jwu s GLU 14 CO 0.04 0.07 -0.07 -1.21 -0.56 0.00 0.00 175.26 173.54 2jwu s GLU 15 N 0.60 0.48 0.29 4.30 2.02 -1.26 -0.44 118.70 124.68 2jwu s GLU 15 Ca -0.12 -0.58 -0.14 0.00 0.02 0.00 0.00 54.97 54.14 2jwu s GLU 15 Cb -0.17 -0.29 0.01 0.00 0.10 0.00 0.00 34.13 33.78 2jwu s GLU 15 CO 0.03 0.06 0.59 0.00 0.02 0.00 0.00 175.26 175.96 2jwu s ALA 16 N -1.03 -0.46 -0.05 5.21 0.00 -0.53 -5.02 121.76 119.88 2jwu s ALA 16 Ca -0.07 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.12 2jwu s ALA 16 Cb -0.08 0.96 0.02 0.00 0.00 0.00 0.00 23.12 24.03 2jwu s ALA 16 CO 0.00 -0.92 -0.07 -1.50 0.00 0.00 0.00 175.76 173.28 2jwu s ILE 17 N -3.63 0.72 -0.02 0.00 1.10 -1.26 -1.51 121.20 116.60 2jwu s ILE 17 Ca 0.19 -0.22 0.03 0.00 -0.51 0.00 0.00 60.65 60.15 2jwu s ILE 17 Cb -0.03 -0.72 -0.00 0.00 0.15 0.00 0.00 42.46 41.86 2jwu s ILE 17 CO 0.10 0.27 -0.12 -0.54 -2.11 0.00 0.00 174.94 172.54 2jwu s LYS 18 N 0.93 1.10 0.27 3.50 1.02 0.31 -4.97 119.74 121.90 2jwu s LYS 18 Ca -0.11 -0.42 -0.20 0.00 0.02 0.00 0.00 55.97 55.27 2jwu s LYS 18 Cb -0.15 -1.03 -0.09 0.00 -0.52 0.00 0.00 37.83 36.04 2jwu s LYS 18 CO 0.00 0.21 0.77 -1.21 -0.92 0.00 0.00 175.35 174.21 2jwu s GLU 19 N -0.08 4.24 0.00 1.68 8.01 -1.26 0.12 118.70 131.41 2jwu s GLU 19 Ca 0.01 0.90 0.00 0.00 0.01 0.00 0.00 54.97 55.89 2jwu s GLU 19 Cb -0.07 -2.73 0.00 0.00 -4.31 0.00 0.00 34.13 27.02 2jwu s GLU 19 CO 0.00 0.30 0.00 1.28 0.01 0.00 0.00 175.26 176.85 2jwu n LEU 20 N 0.39 0.00 -0.06 1.80 7.99 -0.14 -4.81 117.00 122.17 2jwu n LEU 20 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.89 2jwu n LEU 20 Cb 0.52 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.78 2jwu n LEU 20 CO 0.43 0.00 -0.91 1.33 -1.51 0.00 0.00 177.39 176.73 2jwu n VAL 21 N 0.00 0.67 -4.32 4.08 0.24 -1.26 -1.70 118.33 116.04 2jwu n VAL 21 Ca 0.00 -0.20 -0.21 0.00 -2.04 0.00 0.00 64.34 61.89 2jwu n VAL 21 Cb 0.00 -1.42 -0.08 0.00 -1.47 0.00 0.00 33.84 30.87 2jwu n VAL 21 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2jwu s ASP 22 N -5.79 1.90 -0.03 -1.34 2.15 -1.26 -4.79 116.67 107.51 2jwu s ASP 22 Ca -0.17 -1.76 -0.16 0.00 0.43 0.00 0.00 52.55 50.89 2jwu s ASP 22 Cb 0.06 0.57 -0.32 0.00 -0.30 0.00 0.00 42.92 42.92 2jwu s ASP 22 CO 0.23 -1.06 0.82 0.00 -0.17 0.00 0.00 175.17 175.00 2jwu h ALA 23 N 2.06 -0.01 -0.56 3.66 0.00 -1.98 -2.07 119.26 120.36 2jwu h ALA 23 Ca -0.26 -0.94 0.11 0.00 0.00 0.00 0.00 54.91 53.82 2jwu h ALA 23 Cb 1.24 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 19.21 2jwu h ALA 23 CO 0.39 0.75 -0.14 0.00 0.00 0.00 0.00 179.25 180.24 2jwu h ALA 24 N 0.10 0.37 -0.26 0.00 0.00 -1.99 0.99 119.26 118.46 2jwu h ALA 24 Ca -0.27 0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2jwu h ALA 24 Cb 2.00 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 20.21 2jwu h ALA 24 CO 0.19 -0.43 -0.38 1.15 0.00 0.00 0.00 179.25 179.78 2jwu h THR 25 N -0.00 1.30 -0.23 0.00 2.02 -2.00 -2.79 112.91 111.21 2jwu h THR 25 Ca 0.27 -1.57 0.06 0.00 0.77 0.00 0.00 66.41 65.93 2jwu h THR 25 Cb 0.41 1.68 -0.07 0.00 -1.74 0.00 0.00 68.15 68.42 2jwu h THR 25 CO -0.57 0.50 -0.25 0.00 0.37 0.00 0.00 175.52 175.57 2jwu h ALA 26 N 0.67 -0.15 -0.92 6.16 0.00 -0.22 0.38 119.26 125.18 2jwu h ALA 26 Ca 0.03 0.07 0.21 0.00 0.00 0.00 0.00 54.91 55.22 2jwu h ALA 26 Cb 0.97 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 19.21 2jwu h ALA 26 CO 0.09 -0.68 0.61 0.93 0.00 0.00 0.00 179.25 180.20 2jwu h GLU 27 N -0.26 0.37 -0.10 0.00 4.39 0.95 1.74 114.58 121.66 2jwu h GLU 27 Ca 0.13 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 2jwu h GLU 27 Cb 0.46 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2jwu h GLU 27 CO -0.38 0.24 -0.07 -0.22 -1.16 0.00 0.00 179.01 177.42 2jwu h LYS 28 N 0.38 0.22 0.23 2.33 3.64 -0.08 -1.75 116.57 121.54 2jwu h LYS 28 Ca 0.48 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 2jwu h LYS 28 Cb 1.25 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2jwu h LYS 28 CO -0.18 0.61 -0.11 -0.92 -2.27 0.00 0.00 179.45 176.58 2jwu h TYR 29 N -0.16 -0.29 -1.01 1.91 5.03 0.11 -2.72 116.97 119.84 2jwu h TYR 29 Ca 0.02 -0.01 0.22 0.00 2.58 0.00 0.00 58.73 61.54 2jwu h TYR 29 Cb 0.56 0.10 -0.11 0.00 1.55 0.00 0.00 36.73 38.82 2jwu h TYR 29 CO 0.08 -0.18 0.61 0.74 -1.32 0.00 0.00 178.16 178.09 2jwu h PHE 30 N -1.02 1.02 -0.13 -3.82 0.04 0.24 -0.38 116.94 112.88 2jwu h PHE 30 Ca -0.03 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 2jwu h PHE 30 Cb 0.24 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 2jwu h PHE 30 CO 0.00 0.15 -0.10 -0.22 -0.60 0.00 0.00 178.31 177.54 2jwu h LYS 31 N 0.66 0.31 -0.02 1.51 3.64 -1.43 -2.10 116.57 119.14 2jwu h LYS 31 Ca 0.61 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 2jwu h LYS 31 Cb 1.08 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2jwu h LYS 31 CO -0.41 0.68 0.02 1.25 -2.27 0.00 0.00 179.45 178.71 2jwu h LEU 32 N -0.06 0.00 0.09 5.20 7.12 -0.84 -1.65 115.31 125.17 2jwu h LEU 32 Ca 0.03 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.03 2jwu h LEU 32 Cb 0.61 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.74 2jwu h LEU 32 CO 0.03 0.00 -0.04 0.22 -0.13 0.00 0.00 178.44 178.51 2jwu h TYR 33 N 0.00 -0.12 -0.04 1.25 5.03 -0.92 -2.59 116.97 119.58 2jwu h TYR 33 Ca 0.01 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.33 2jwu h TYR 33 Cb 0.05 0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.36 2jwu h TYR 33 CO 0.00 0.08 0.15 0.00 -1.32 0.00 0.00 178.16 177.07 2jwu h ALA 34 N -0.84 1.32 0.17 1.82 0.00 -1.19 1.17 119.26 121.71 2jwu h ALA 34 Ca -0.01 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 2jwu h ALA 34 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jwu h ALA 34 CO 0.02 -0.17 -1.76 -0.97 0.00 0.00 0.00 179.25 176.37 2jwu h ASN 35 N 0.00 0.57 0.66 0.00 -0.00 -1.38 0.39 115.58 115.82 2jwu h ASN 35 Ca 0.02 -0.88 -0.07 0.00 -0.00 0.00 0.00 56.30 55.37 2jwu h ASN 35 Cb 0.32 -0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 38.44 2jwu h ASN 35 CO -0.00 1.75 -1.40 0.00 -0.00 0.00 0.00 177.43 177.78 2jwu n ALA 36 N -2.85 2.33 0.07 1.57 0.00 -0.66 -4.13 120.51 116.83 2jwu n ALA 36 Ca -0.24 -0.44 -0.19 0.00 0.00 0.00 0.00 53.44 52.56 2jwu n ALA 36 Cb 1.07 -0.94 -0.14 0.00 0.00 0.00 0.00 19.45 19.43 2jwu n ALA 36 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2jwu h LYS 37 N 0.00 0.30 0.00 0.00 1.63 0.12 -3.47 116.57 115.14 2jwu h LYS 37 Ca -0.08 -0.51 0.00 0.00 -0.85 0.00 0.00 60.65 59.21 2jwu h LYS 37 Cb 1.25 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 33.07 2jwu h LYS 37 CO 0.02 1.18 0.00 0.25 -3.45 0.00 0.00 179.45 177.44 2jwu n THR 38 N -3.49 0.00 -3.58 1.00 -2.24 -1.17 -5.05 114.28 99.75 2jwu n THR 38 Ca -0.19 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.54 2jwu n THR 38 Cb 1.06 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.26 2jwu n THR 38 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jwu s VAL 39 N 0.00 0.00 -0.43 2.28 0.11 0.14 -4.90 120.40 117.60 2jwu s VAL 39 Ca 0.00 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.89 2jwu s VAL 39 Cb 0.00 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.88 2jwu s VAL 39 CO 0.00 0.00 0.39 -0.70 -3.33 0.00 0.00 175.10 171.46 2jwu s GLU 40 N -2.49 3.02 0.00 1.54 2.12 -1.25 -4.37 118.70 117.28 2jwu s GLU 40 Ca 0.08 -1.00 0.00 0.00 0.36 0.00 0.00 54.97 54.42 2jwu s GLU 40 Cb -0.01 -4.02 0.00 0.00 0.26 0.00 0.00 34.13 30.36 2jwu s GLU 40 CO -0.05 -0.87 0.00 0.41 -0.54 0.00 0.00 175.26 174.20 2jwu n GLY 41 N 5.15 5.05 3.69 -1.50 0.00 -1.25 -5.02 105.19 111.32 2jwu n GLY 41 Ca -0.10 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 2jwu n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jwu s VAL 42 N 3.46 2.17 0.03 1.61 0.11 0.17 -4.76 120.40 123.19 2jwu s VAL 42 Ca 0.00 0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.13 2jwu s VAL 42 Cb 0.00 -2.22 -0.02 0.00 -1.53 0.00 0.00 36.38 32.61 2jwu s VAL 42 CO 0.00 -0.07 -0.07 0.26 -3.33 0.00 0.00 175.10 171.89 2jwu s TRP 43 N -2.54 0.63 -0.25 1.54 0.52 -1.26 -2.40 118.94 115.19 2jwu s TRP 43 Ca 0.68 -0.34 -0.04 0.00 0.02 0.00 0.00 56.10 56.41 2jwu s TRP 43 Cb -0.24 -0.39 0.13 0.00 -1.15 0.00 0.00 33.47 31.83 2jwu s TRP 43 CO 0.56 -0.05 0.46 0.99 0.02 0.00 0.00 176.95 178.93 2jwu s THR 44 N -0.90 -0.74 0.17 2.01 2.01 0.35 -4.95 115.64 113.58 2jwu s THR 44 Ca -0.05 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.90 2jwu s THR 44 Cb -0.07 -0.83 -0.06 0.00 0.01 0.00 0.00 72.50 71.54 2jwu s THR 44 CO 0.00 -0.03 0.43 -0.47 -0.69 0.00 0.00 174.62 173.85 2jwu s TYR 45 N 2.67 3.46 -0.11 4.92 5.04 -1.26 0.61 117.35 132.67 2jwu s TYR 45 Ca 0.09 0.65 0.03 0.00 -2.44 0.00 0.00 57.07 55.40 2jwu s TYR 45 Cb -0.14 -2.08 0.00 0.00 0.35 0.00 0.00 41.96 40.10 2jwu s TYR 45 CO -0.16 0.39 -0.22 0.15 -1.34 0.00 0.00 175.55 174.36 2jwu s LYS 46 N -2.71 2.95 -0.28 4.97 3.01 0.19 -4.97 119.74 122.91 2jwu s LYS 46 Ca 0.43 -0.84 0.05 0.00 -1.01 0.00 0.00 55.97 54.60 2jwu s LYS 46 Cb -0.12 -2.30 0.53 0.00 -1.01 0.00 0.00 37.83 34.93 2jwu s LYS 46 CO 0.24 0.09 1.59 -0.25 0.51 0.00 0.00 175.35 177.53 2jwu n ASP 47 N 3.76 3.86 0.05 2.83 8.00 -1.26 -2.40 116.55 131.39 2jwu n ASP 47 Ca -0.19 -3.02 -0.22 0.00 0.71 0.00 0.00 54.79 52.07 2jwu n ASP 47 Cb 0.52 -0.71 -0.15 0.00 -0.02 0.00 0.00 41.12 40.77 2jwu n ASP 47 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2jwu h GLU 48 N 1.46 0.34 0.00 -1.24 4.22 -1.94 -3.44 114.58 113.98 2jwu h GLU 48 Ca 0.31 -0.58 -0.13 0.00 0.08 0.00 0.00 59.36 59.04 2jwu h GLU 48 Cb 2.12 0.22 -0.12 0.00 0.50 0.00 0.00 28.75 31.47 2jwu h GLU 48 CO 0.66 1.27 -0.21 2.41 -2.18 0.00 0.00 179.01 180.96 2jwu n THR 49 N -3.54 0.00 -2.82 0.32 -1.04 -1.26 -5.05 114.28 100.89 2jwu n THR 49 Ca -0.27 -0.68 -0.07 0.00 -2.04 0.00 0.00 64.05 60.99 2jwu n THR 49 Cb 1.06 0.83 0.01 0.00 -1.82 0.00 0.00 70.33 70.41 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 -1.06 -2.18 -4.15 -2.82 5.02 -1.22 -4.74 118.16 107.01 2jwu n LYS 50 Ca -0.15 2.00 -0.15 0.00 -2.02 0.00 0.00 58.31 57.98 2jwu n LYS 50 Cb 0.77 -5.54 -0.13 0.00 -0.02 0.00 0.00 35.03 30.11 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 -2.60 0.52 0.17 -0.18 2.01 -1.01 -2.38 115.64 112.18 2jwu s THR 51 Ca 0.21 -0.59 0.09 0.00 0.31 0.00 0.00 61.69 61.72 2jwu s THR 51 Cb -0.06 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 2jwu s THR 51 CO 0.74 -0.06 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.13 2jwu s PHE 52 N -0.62 2.59 -0.18 4.92 0.40 0.23 0.56 117.98 125.88 2jwu s PHE 52 Ca -0.02 -0.24 -0.04 0.00 -0.60 0.00 0.00 56.93 56.03 2jwu s PHE 52 Cb -0.05 -1.28 0.08 0.00 0.51 0.00 0.00 43.02 42.27 2jwu s PHE 52 CO 0.00 0.50 0.18 0.99 0.70 0.00 0.00 175.22 177.59 2jwu s THR 53 N -1.64 -0.26 -0.02 0.64 2.01 0.20 -2.30 115.64 114.26 2jwu s THR 53 Ca 0.24 -0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.21 2jwu s THR 53 Cb -0.09 -0.59 0.00 0.00 0.01 0.00 0.00 72.50 71.83 2jwu s THR 53 CO 0.14 -0.17 -0.09 0.54 -0.69 0.00 0.00 174.62 174.35 2jwu s VAL 54 N 2.28 0.81 0.23 3.82 0.11 -0.99 0.13 120.40 126.78 2jwu s VAL 54 Ca 0.05 -0.38 -0.01 0.00 -2.93 0.00 0.00 61.98 58.71 2jwu s VAL 54 Cb -0.15 -0.72 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 2jwu s VAL 54 CO -0.10 0.25 0.19 0.28 -3.33 0.00 0.00 175.10 172.39 2jwu s THR 55 N 0.14 0.00 0.00 5.04 -1.32 -1.01 -2.49 115.64 116.00 2jwu s THR 55 Ca -0.02 -1.94 0.00 0.00 -1.21 0.00 0.00 61.69 58.52 2jwu s THR 55 Cb -0.08 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.43 2jwu s THR 55 CO 0.00 0.00 0.13 1.21 -2.21 0.00 0.00 174.62 173.76