#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 5.07 -0.14 4.28 -1.32 -1.26 0.20 115.64 122.47 2jwu s THR 2 Ca 0.00 0.84 -0.07 0.00 -1.21 0.00 0.00 61.69 61.25 2jwu s THR 2 Cb 0.00 -3.84 -0.04 0.00 -1.51 0.00 0.00 72.50 67.11 2jwu s THR 2 CO 0.00 0.07 0.10 -0.31 -2.21 0.00 0.00 174.62 172.27 2jwu s TYR 3 N 2.32 3.43 -0.10 9.09 2.02 0.36 -4.90 117.35 129.57 2jwu s TYR 3 Ca 0.21 0.36 0.01 0.00 -0.37 0.00 0.00 57.07 57.28 2jwu s TYR 3 Cb -0.16 -1.98 -0.02 0.00 -0.40 0.00 0.00 41.96 39.40 2jwu s TYR 3 CO 0.09 0.51 -0.12 0.21 -1.57 0.00 0.00 175.55 174.68 2jwu s LYS 4 N -0.50 3.07 -0.01 -0.62 2.20 -1.03 0.11 119.74 122.96 2jwu s LYS 4 Ca 0.11 -0.65 0.04 0.00 -0.36 0.00 0.00 55.97 55.11 2jwu s LYS 4 Cb -0.12 -2.58 -0.01 0.00 -1.51 0.00 0.00 37.83 33.61 2jwu s LYS 4 CO 0.02 0.40 -0.13 -1.17 -0.36 0.00 0.00 175.35 174.11 2jwu s LEU 5 N -0.12 2.03 -0.06 5.43 2.96 -0.66 0.21 118.68 128.47 2jwu s LEU 5 Ca -0.01 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 2jwu s LEU 5 Cb -0.14 -0.66 0.00 0.00 0.50 0.00 0.00 46.19 45.89 2jwu s LEU 5 CO 0.03 0.15 -0.17 -0.51 -1.32 0.00 0.00 176.35 174.54 2jwu s ILE 6 N -0.34 1.44 -0.05 6.68 2.07 -0.55 -2.14 121.20 128.31 2jwu s ILE 6 Ca 0.05 -0.69 0.04 0.00 -1.41 0.00 0.00 60.65 58.63 2jwu s ILE 6 Cb -0.05 -1.25 0.00 0.00 0.13 0.00 0.00 42.46 41.29 2jwu s ILE 6 CO -0.00 0.42 -0.15 -0.76 -1.91 0.00 0.00 174.94 172.53 2jwu s LEU 7 N 0.25 1.85 -0.46 8.50 1.02 0.29 -0.75 118.68 129.37 2jwu s LEU 7 Ca -0.09 -0.33 0.03 0.00 0.02 0.00 0.00 54.13 53.77 2jwu s LEU 7 Cb -0.14 -0.90 0.12 0.00 0.02 0.00 0.00 46.19 45.30 2jwu s LEU 7 CO 0.04 0.12 0.20 0.21 0.02 0.00 0.00 176.35 176.93 2jwu s ASN 8 N 0.21 4.58 0.59 2.29 3.84 -1.02 -0.05 114.94 125.38 2jwu s ASN 8 Ca -0.07 -2.68 -0.01 0.00 0.21 0.00 0.00 52.86 50.31 2jwu s ASN 8 Cb -0.12 -1.66 0.04 0.00 -0.55 0.00 0.00 41.25 38.95 2jwu s ASN 8 CO 0.03 -0.31 0.84 -0.76 -2.79 0.00 0.00 177.10 174.11 2jwu s LEU 9 N 0.18 3.16 0.28 3.21 1.43 -1.02 -2.29 118.68 123.63 2jwu s LEU 9 Ca 0.15 0.17 0.10 0.00 -1.03 0.00 0.00 54.13 53.52 2jwu s LEU 9 Cb -0.23 -2.98 0.37 0.00 0.03 0.00 0.00 46.19 43.38 2jwu s LEU 9 CO -0.03 -1.25 1.62 0.11 0.23 0.00 0.00 176.35 177.04 2jwu h LYS 10 N -0.11 0.01 0.05 1.70 1.79 -2.00 -3.31 116.57 114.69 2jwu h LYS 10 Ca -0.43 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.03 2jwu h LYS 10 Cb 1.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 2jwu h LYS 10 CO 0.55 0.61 -0.02 0.37 -1.08 0.00 0.00 179.45 179.87 2jwu h GLN 11 N 0.00 -0.07 -3.34 3.15 4.15 -1.94 -3.49 115.11 113.58 2jwu h GLN 11 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 2jwu h GLN 11 Cb 1.07 0.01 -0.11 0.00 0.21 0.00 0.00 27.48 28.66 2jwu h GLN 11 CO 0.08 0.31 -0.00 0.00 -1.93 0.00 0.00 178.83 177.29 2jwu s ALA 12 N -2.71 -0.94 -0.20 3.38 0.00 -1.25 -5.14 121.76 114.90 2jwu s ALA 12 Ca -0.08 -0.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.54 2jwu s ALA 12 Cb -0.01 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 2jwu s ALA 12 CO 0.29 -0.75 0.50 0.21 0.00 0.00 0.00 175.76 176.01 2jwu s LYS 13 N -3.85 4.18 -0.11 0.00 2.20 -1.26 -2.44 119.74 118.46 2jwu s LYS 13 Ca 0.07 0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 56.04 2jwu s LYS 13 Cb 0.00 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 2jwu s LYS 13 CO -0.06 -0.13 -0.08 -1.21 -0.36 0.00 0.00 175.35 173.51 2jwu s GLU 14 N 1.59 3.24 -0.12 4.03 0.41 0.93 -4.98 118.70 123.80 2jwu s GLU 14 Ca 0.23 -0.58 -0.07 0.00 -0.41 0.00 0.00 54.97 54.14 2jwu s GLU 14 Cb -0.15 -2.71 0.04 0.00 -1.78 0.00 0.00 34.13 29.53 2jwu s GLU 14 CO 0.09 0.40 0.29 -1.21 -0.49 0.00 0.00 175.26 174.33 2jwu s GLU 15 N -0.09 0.28 0.28 1.61 2.02 -1.26 0.10 118.70 121.64 2jwu s GLU 15 Ca 0.00 0.54 -0.15 0.00 0.02 0.00 0.00 54.97 55.38 2jwu s GLU 15 Cb -0.13 -0.02 0.01 0.00 0.10 0.00 0.00 34.13 34.08 2jwu s GLU 15 CO 0.03 -0.13 0.58 0.00 0.02 0.00 0.00 175.26 175.77 2jwu s ALA 16 N 0.96 -0.54 -0.05 5.21 0.00 -0.91 -5.04 121.76 121.39 2jwu s ALA 16 Ca -0.07 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.21 2jwu s ALA 16 Cb -0.08 0.97 0.00 0.00 0.00 0.00 0.00 23.12 24.02 2jwu s ALA 16 CO -0.07 -0.92 -0.16 -1.50 0.00 0.00 0.00 175.76 173.11 2jwu s ILE 17 N -3.79 1.37 -0.02 0.00 1.10 -1.26 -1.66 121.20 116.95 2jwu s ILE 17 Ca 0.19 -0.67 0.03 0.00 -0.51 0.00 0.00 60.65 59.69 2jwu s ILE 17 Cb -0.03 -1.20 -0.00 0.00 0.15 0.00 0.00 42.46 41.38 2jwu s ILE 17 CO 0.09 0.40 -0.11 -0.54 -2.11 0.00 0.00 174.94 172.68 2jwu s LYS 18 N 0.20 1.03 0.22 3.50 -0.14 0.31 -4.94 119.74 119.92 2jwu s LYS 18 Ca -0.07 -0.37 -0.23 0.00 -1.36 0.00 0.00 55.97 53.94 2jwu s LYS 18 Cb -0.13 -0.96 -0.08 0.00 -1.68 0.00 0.00 37.83 34.98 2jwu s LYS 18 CO 0.03 0.17 0.78 -1.21 -0.76 0.00 0.00 175.35 174.36 2jwu s GLU 19 N 0.03 4.42 0.26 1.68 2.02 -1.26 0.13 118.70 125.98 2jwu s GLU 19 Ca -0.01 1.05 -0.00 0.00 0.02 0.00 0.00 54.97 56.03 2jwu s GLU 19 Cb -0.07 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.16 2jwu s GLU 19 CO 0.00 0.44 0.34 1.28 0.02 0.00 0.00 175.26 177.34 2jwu n LEU 20 N 1.01 0.00 -0.04 1.80 7.99 0.13 -4.85 117.00 123.04 2jwu n LEU 20 Ca -0.03 -2.13 -0.11 0.00 -0.01 0.00 0.00 56.01 53.73 2jwu n LEU 20 Cb 0.50 1.79 -0.14 0.00 -0.11 0.00 0.00 43.42 45.46 2jwu n LEU 20 CO 0.44 -0.47 -0.75 0.52 -1.51 0.00 0.00 177.39 175.63 2jwu n VAL 21 N -0.43 1.58 -2.57 4.08 0.31 -1.26 0.11 118.33 120.15 2jwu n VAL 21 Ca 0.01 -0.78 0.00 0.00 -0.01 0.00 0.00 64.34 63.57 2jwu n VAL 21 Cb 0.43 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 2jwu n VAL 21 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2jwu n ASP 22 N -3.06 0.00 0.06 4.52 8.00 -1.26 -4.48 116.55 120.33 2jwu n ASP 22 Ca -0.24 -0.48 -0.23 0.00 0.71 0.00 0.00 54.79 54.56 2jwu n ASP 22 Cb 1.07 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 42.02 2jwu n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jwu h ALA 23 N 2.00 0.08 -0.58 2.24 0.00 -1.97 -2.52 119.26 118.50 2jwu h ALA 23 Ca 0.00 -1.04 0.12 0.00 0.00 0.00 0.00 54.91 53.99 2jwu h ALA 23 Cb 0.00 0.39 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 2jwu h ALA 23 CO 0.00 0.85 -0.05 0.00 0.00 0.00 0.00 179.25 180.05 2jwu h ALA 24 N 0.07 0.51 -0.35 0.00 0.00 -1.99 0.77 119.26 118.26 2jwu h ALA 24 Ca -0.30 0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 2jwu h ALA 24 Cb 1.97 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 20.11 2jwu h ALA 24 CO 0.16 -0.41 -0.34 0.00 0.00 0.00 0.00 179.25 178.66 2jwu h THR 25 N 0.07 1.28 -0.08 0.00 1.03 -1.98 -2.78 112.91 110.46 2jwu h THR 25 Ca 0.30 -1.51 0.04 0.00 -0.01 0.00 0.00 66.41 65.23 2jwu h THR 25 Cb 0.47 1.46 -0.06 0.00 -1.07 0.00 0.00 68.15 68.95 2jwu h THR 25 CO -0.54 0.50 -0.35 0.00 -0.01 0.00 0.00 175.52 175.12 2jwu h ALA 26 N 0.75 -0.48 -1.02 0.00 0.00 -0.38 0.34 119.26 118.47 2jwu h ALA 26 Ca 0.06 -0.00 0.27 0.00 0.00 0.00 0.00 54.91 55.23 2jwu h ALA 26 Cb 0.92 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 19.29 2jwu h ALA 26 CO 0.08 -0.85 0.69 0.93 0.00 0.00 0.00 179.25 180.10 2jwu h GLU 27 N -0.46 0.26 -0.06 0.00 5.08 0.47 2.17 114.58 122.03 2jwu h GLU 27 Ca 0.08 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 2jwu h GLU 27 Cb 0.58 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2jwu h GLU 27 CO -0.34 0.17 -0.30 0.87 -1.00 0.00 0.00 179.01 178.41 2jwu h LYS 28 N 0.26 0.32 0.16 2.33 1.57 -0.23 -2.36 116.57 118.62 2jwu h LYS 28 Ca 0.54 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 2jwu h LYS 28 Cb 1.61 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.97 2jwu h LYS 28 CO -0.18 0.90 -0.08 -0.92 -0.57 0.00 0.00 179.45 178.61 2jwu h TYR 29 N -0.18 -0.20 -0.73 -1.35 5.03 0.20 -2.68 116.97 117.05 2jwu h TYR 29 Ca -0.02 -0.00 0.19 0.00 2.58 0.00 0.00 58.73 61.48 2jwu h TYR 29 Cb 0.96 0.07 -0.04 0.00 1.55 0.00 0.00 36.73 39.27 2jwu h TYR 29 CO 0.13 0.00 0.51 0.74 -1.32 0.00 0.00 178.16 178.23 2jwu h PHE 30 N -1.03 0.13 0.05 -3.82 0.04 0.33 0.17 116.94 112.81 2jwu h PHE 30 Ca -0.02 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.51 2jwu h PHE 30 Cb 0.29 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.40 2jwu h PHE 30 CO 0.03 0.04 -1.05 -0.22 -0.60 0.00 0.00 178.31 176.52 2jwu h LYS 31 N 0.10 0.29 0.00 1.51 3.64 -1.51 -2.61 116.57 117.99 2jwu h LYS 31 Ca 0.35 -0.38 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2jwu h LYS 31 Cb 1.24 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2jwu h LYS 31 CO -0.04 1.11 -0.14 -0.07 -2.27 0.00 0.00 179.45 178.04 2jwu h LEU 32 N 0.13 0.00 0.00 5.20 4.07 -0.36 -0.58 115.31 123.77 2jwu h LEU 32 Ca -0.09 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.83 2jwu h LEU 32 Cb 1.72 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.45 2jwu h LEU 32 CO 0.17 0.14 -0.29 0.22 -1.08 0.00 0.00 178.44 177.60 2jwu h TYR 33 N 0.00 0.00 0.00 1.13 5.03 -1.20 -2.56 116.97 119.37 2jwu h TYR 33 Ca -0.00 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.26 2jwu h TYR 33 Cb 0.57 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 2jwu h TYR 33 CO 0.00 0.76 -0.22 0.00 -1.32 0.00 0.00 178.16 177.38 2jwu h ALA 34 N -0.43 1.40 0.25 1.82 0.00 -1.47 0.92 119.26 121.75 2jwu h ALA 34 Ca -0.07 -0.20 -0.34 0.00 0.00 0.00 0.00 54.91 54.30 2jwu h ALA 34 Cb 0.77 -0.04 0.04 0.00 0.00 0.00 0.00 17.79 18.57 2jwu h ALA 34 CO -0.04 0.27 -1.50 -0.97 0.00 0.00 0.00 179.25 177.02 2jwu h ASN 35 N 0.00 0.84 0.00 0.00 -1.24 -1.24 -2.44 115.58 111.51 2jwu h ASN 35 Ca -0.00 -0.91 0.00 0.00 0.71 0.00 0.00 56.30 56.10 2jwu h ASN 35 Cb 0.46 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.23 2jwu h ASN 35 CO 0.03 1.72 -0.43 0.00 -1.29 0.00 0.00 177.43 177.45 2jwu n ALA 36 N -2.72 0.38 -0.03 1.57 0.00 -0.97 -4.36 120.51 114.38 2jwu n ALA 36 Ca -0.17 -0.39 0.19 0.00 0.00 0.00 0.00 53.44 53.07 2jwu n ALA 36 Cb 1.11 0.01 0.65 0.00 0.00 0.00 0.00 19.45 21.22 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 -0.76 0.08 0.00 0.00 1.63 0.70 -3.45 116.57 114.77 2jwu h LYS 37 Ca 0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2jwu h LYS 37 Cb 0.43 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 2jwu h LYS 37 CO 0.00 0.05 0.00 0.25 -3.45 0.00 0.00 179.45 176.30 2jwu n THR 38 N -4.40 0.00 -3.87 1.00 -2.24 -1.09 -5.00 114.28 98.69 2jwu n THR 38 Ca 0.10 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.64 2jwu n THR 38 Cb 0.58 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 2jwu n THR 38 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2jwu s VAL 39 N -0.43 2.10 0.25 2.28 1.01 -0.93 -4.17 120.40 120.52 2jwu s VAL 39 Ca 0.00 -1.51 0.01 0.00 0.00 0.00 0.00 61.98 60.48 2jwu s VAL 39 Cb 0.00 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 2jwu s VAL 39 CO 0.00 0.00 0.43 -0.70 0.00 0.00 0.00 175.10 174.83 2jwu s GLU 40 N -4.14 3.49 0.00 2.72 2.12 -1.26 -4.57 118.70 117.06 2jwu s GLU 40 Ca 0.39 -0.44 0.00 0.00 0.36 0.00 0.00 54.97 55.28 2jwu s GLU 40 Cb -0.01 -2.80 0.00 0.00 0.26 0.00 0.00 34.13 31.58 2jwu s GLU 40 CO 0.23 0.34 0.00 0.41 -0.54 0.00 0.00 175.26 175.70 2jwu n GLY 41 N -1.15 2.57 3.60 -1.50 0.00 -1.26 -4.39 105.19 103.07 2jwu n GLY 41 Ca -0.06 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 0.20 4.05 0.30 1.61 1.01 0.30 -4.75 120.40 123.11 2jwu s VAL 42 Ca 0.00 1.08 -0.18 0.00 0.00 0.00 0.00 61.98 62.88 2jwu s VAL 42 Cb 0.00 -4.36 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 2jwu s VAL 42 CO 0.00 -0.83 0.77 0.26 0.00 0.00 0.00 175.10 175.29 2jwu s TRP 43 N 4.96 3.48 -0.22 5.22 0.52 -1.26 -2.31 118.94 129.32 2jwu s TRP 43 Ca 0.56 1.35 -0.20 0.00 0.02 0.00 0.00 56.10 57.82 2jwu s TRP 43 Cb -0.11 -2.62 0.06 0.00 -1.15 0.00 0.00 33.47 29.65 2jwu s TRP 43 CO 0.31 0.16 0.59 0.99 0.02 0.00 0.00 176.95 179.03 2jwu s THR 44 N -1.82 -0.00 0.19 2.01 2.01 0.31 -4.95 115.64 113.38 2jwu s THR 44 Ca 0.51 0.00 0.11 0.00 0.31 0.00 0.00 61.69 62.62 2jwu s THR 44 Cb -0.13 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 2jwu s THR 44 CO 0.19 0.00 -0.24 -0.47 -0.69 0.00 0.00 174.62 173.41 2jwu s TYR 45 N 0.37 2.31 -0.16 4.92 5.04 -1.26 0.12 117.35 128.69 2jwu s TYR 45 Ca -0.00 -0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 2jwu s TYR 45 Cb -0.04 -1.16 0.03 0.00 0.35 0.00 0.00 41.96 41.14 2jwu s TYR 45 CO 0.00 0.48 -0.10 0.21 -1.34 0.00 0.00 175.55 174.80 2jwu s LYS 46 N -2.60 1.90 -0.28 4.97 2.36 0.36 -4.98 119.74 121.46 2jwu s LYS 46 Ca 0.20 -0.58 0.04 0.00 -2.55 0.00 0.00 55.97 53.07 2jwu s LYS 46 Cb -0.08 -2.09 0.47 0.00 -1.05 0.00 0.00 37.83 35.08 2jwu s LYS 46 CO 0.10 -0.34 1.58 -0.25 1.55 0.00 0.00 175.35 177.99 2jwu n ASP 47 N 4.80 3.62 -0.08 1.43 8.00 -1.26 -2.44 116.55 130.62 2jwu n ASP 47 Ca -0.14 -3.02 -0.06 0.00 0.71 0.00 0.00 54.79 52.27 2jwu n ASP 47 Cb 0.48 -0.72 -0.14 0.00 -0.02 0.00 0.00 41.12 40.73 2jwu n ASP 47 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2jwu n GLU 48 N -0.47 1.01 -0.93 -1.24 2.13 -1.26 -4.75 120.64 115.14 2jwu n GLU 48 Ca 0.37 -0.03 -0.05 0.00 0.66 0.00 0.00 57.16 58.11 2jwu n GLU 48 Cb 1.24 -1.46 -0.05 0.00 0.27 0.00 0.00 31.44 31.44 2jwu n GLU 48 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2jwu n THR 49 N -2.60 0.00 -3.11 6.31 -1.04 -1.26 -5.06 114.28 107.53 2jwu n THR 49 Ca -0.26 -0.04 -0.15 0.00 -2.04 0.00 0.00 64.05 61.57 2jwu n THR 49 Cb 1.01 0.43 0.01 0.00 -1.82 0.00 0.00 70.33 69.96 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 0.02 -2.01 -3.69 -2.82 4.01 -1.11 -4.73 118.16 107.82 2jwu n LYS 50 Ca -0.22 1.74 -0.19 0.00 -0.51 0.00 0.00 58.31 59.14 2jwu n LYS 50 Cb 0.68 -4.65 -0.17 0.00 -0.51 0.00 0.00 35.03 30.38 2jwu n LYS 50 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2jwu s THR 51 N -2.47 -0.10 0.23 -0.18 2.01 -1.02 -2.48 115.64 111.63 2jwu s THR 51 Ca 0.21 0.37 -0.03 0.00 0.31 0.00 0.00 61.69 62.55 2jwu s THR 51 Cb -0.04 -0.14 -0.05 0.00 0.01 0.00 0.00 72.50 72.28 2jwu s THR 51 CO 0.80 0.16 0.46 -0.36 -0.69 0.00 0.00 174.62 174.99 2jwu s PHE 52 N 1.90 3.48 -0.09 4.92 0.40 0.13 -0.49 117.98 128.24 2jwu s PHE 52 Ca 0.01 0.50 -0.03 0.00 -0.60 0.00 0.00 56.93 56.81 2jwu s PHE 52 Cb -0.12 -1.98 0.05 0.00 0.51 0.00 0.00 43.02 41.47 2jwu s PHE 52 CO -0.03 0.30 0.17 0.99 0.70 0.00 0.00 175.22 177.35 2jwu s THR 53 N -1.94 -0.23 -0.02 0.64 2.01 0.33 -1.48 115.64 114.94 2jwu s THR 53 Ca 0.41 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.73 2jwu s THR 53 Cb -0.11 -0.30 0.03 0.00 0.01 0.00 0.00 72.50 72.12 2jwu s THR 53 CO 0.29 0.13 0.01 0.54 -0.69 0.00 0.00 174.62 174.89 2jwu s VAL 54 N 2.08 0.10 -0.04 3.82 0.11 0.07 0.11 120.40 126.65 2jwu s VAL 54 Ca 0.00 0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.18 2jwu s VAL 54 Cb -0.12 -0.20 0.01 0.00 -1.53 0.00 0.00 36.38 34.54 2jwu s VAL 54 CO -0.06 0.12 -0.08 0.42 -3.33 0.00 0.00 175.10 172.17 2jwu s THR 55 N 0.93 0.78 -2.79 5.04 -4.23 -0.98 -2.45 115.64 111.94 2jwu s THR 55 Ca -0.09 -0.30 0.22 0.00 -1.18 0.00 0.00 61.69 60.35 2jwu s THR 55 Cb -0.12 -0.73 0.18 0.00 1.34 0.00 0.00 72.50 73.16 2jwu s THR 55 CO -0.02 0.26 1.21 1.21 -0.54 0.00 0.00 174.62 176.74