#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 3.78 -0.17 12.58 -1.32 -1.26 0.09 115.64 129.34 2jwu s THR 2 Ca 0.00 0.97 -0.05 0.00 -1.21 0.00 0.00 61.69 61.40 2jwu s THR 2 Cb 0.00 -3.63 -0.03 0.00 -1.51 0.00 0.00 72.50 67.33 2jwu s THR 2 CO 0.00 -0.08 0.01 -0.31 -2.21 0.00 0.00 174.62 172.03 2jwu s TYR 3 N 3.71 3.11 -0.03 9.09 2.02 0.32 -4.83 117.35 130.75 2jwu s TYR 3 Ca 0.67 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 57.20 2jwu s TYR 3 Cb -0.30 -2.03 -0.03 0.00 -0.40 0.00 0.00 41.96 39.20 2jwu s TYR 3 CO 0.25 0.00 -0.01 0.21 -1.57 0.00 0.00 175.55 174.43 2jwu s LYS 4 N 0.48 2.80 0.01 -0.62 2.20 -1.00 0.11 119.74 123.72 2jwu s LYS 4 Ca -0.00 -0.57 0.02 0.00 -0.36 0.00 0.00 55.97 55.06 2jwu s LYS 4 Cb -0.14 -2.67 -0.01 0.00 -1.51 0.00 0.00 37.83 33.50 2jwu s LYS 4 CO 0.02 0.65 -0.06 -1.17 -0.36 0.00 0.00 175.35 174.42 2jwu s LEU 5 N -1.30 2.08 -0.03 5.43 2.96 -0.62 0.10 118.68 127.30 2jwu s LEU 5 Ca 0.17 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2jwu s LEU 5 Cb -0.11 -0.24 0.02 0.00 0.50 0.00 0.00 46.19 46.35 2jwu s LEU 5 CO 0.07 -0.01 -0.05 -0.51 -1.32 0.00 0.00 176.35 174.53 2jwu s ILE 6 N -0.48 0.53 -0.06 6.68 2.07 -0.86 -1.01 121.20 128.06 2jwu s ILE 6 Ca -0.01 -0.16 0.05 0.00 -1.41 0.00 0.00 60.65 59.12 2jwu s ILE 6 Cb -0.04 -0.53 -0.00 0.00 0.13 0.00 0.00 42.46 42.01 2jwu s ILE 6 CO -0.00 0.21 -0.22 -0.76 -1.91 0.00 0.00 174.94 172.26 2jwu s LEU 7 N 0.66 2.00 -0.55 8.50 1.02 0.10 -1.41 118.68 129.00 2jwu s LEU 7 Ca -0.09 -0.46 0.04 0.00 0.02 0.00 0.00 54.13 53.64 2jwu s LEU 7 Cb -0.12 -1.22 0.15 0.00 0.02 0.00 0.00 46.19 45.02 2jwu s LEU 7 CO 0.00 0.19 0.36 0.20 0.02 0.00 0.00 176.35 177.11 2jwu s ASN 8 N 0.06 3.82 0.38 2.29 0.01 -0.67 -1.03 114.94 119.80 2jwu s ASN 8 Ca -0.08 -3.24 0.04 0.00 -0.71 0.00 0.00 52.86 48.88 2jwu s ASN 8 Cb -0.14 -1.26 -0.01 0.00 0.41 0.00 0.00 41.25 40.25 2jwu s ASN 8 CO 0.04 -0.17 0.55 -1.48 -1.51 0.00 0.00 177.10 174.53 2jwu s LEU 9 N -0.49 3.85 0.55 0.60 2.34 -0.74 -2.18 118.68 122.61 2jwu s LEU 9 Ca 0.23 0.04 0.30 0.00 0.06 0.00 0.00 54.13 54.76 2jwu s LEU 9 Cb -0.12 -2.94 1.46 0.00 -0.56 0.00 0.00 46.19 44.03 2jwu s LEU 9 CO -0.10 -0.53 1.91 0.50 -1.06 0.00 0.00 176.35 177.08 2jwu h LYS 10 N 0.69 0.00 -0.09 1.48 1.63 -1.98 -0.71 116.57 117.59 2jwu h LYS 10 Ca -0.46 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.33 2jwu h LYS 10 Cb 1.25 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.88 2jwu h LYS 10 CO 0.55 0.00 0.02 1.96 -3.45 0.00 0.00 179.45 178.54 2jwu h GLN 11 N 0.00 0.14 0.00 1.90 1.08 -1.96 -3.49 115.11 112.79 2jwu h GLN 11 Ca 0.34 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.51 2jwu h GLN 11 Cb 1.45 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.86 2jwu h GLN 11 CO -0.00 0.32 0.00 0.00 -0.95 0.00 0.00 178.83 178.20 2jwu n ALA 12 N -2.24 0.00 -3.35 3.87 0.00 -0.27 -5.13 120.51 113.39 2jwu n ALA 12 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.01 2jwu n ALA 12 Cb 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.60 2.63 0.06 0.00 1.02 -1.26 -1.79 119.74 119.80 2jwu s LYS 13 Ca 0.00 -1.16 0.07 0.00 0.02 0.00 0.00 55.97 54.90 2jwu s LYS 13 Cb 0.00 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.93 2jwu s LYS 13 CO 0.00 -0.62 -0.19 -1.21 -0.92 0.00 0.00 175.35 172.41 2jwu s GLU 14 N 1.37 1.23 0.11 1.68 2.02 -0.20 -5.02 118.70 119.90 2jwu s GLU 14 Ca -0.02 -0.95 -0.09 0.00 0.02 0.00 0.00 54.97 53.92 2jwu s GLU 14 Cb -0.19 -1.36 -0.00 0.00 0.10 0.00 0.00 34.13 32.68 2jwu s GLU 14 CO 0.01 0.34 0.24 -1.83 0.02 0.00 0.00 175.26 174.04 2jwu s GLU 15 N -1.34 0.95 0.34 1.61 4.04 -1.26 0.00 118.70 123.05 2jwu s GLU 15 Ca 0.06 -1.00 -0.11 0.00 0.04 0.00 0.00 54.97 53.96 2jwu s GLU 15 Cb -0.09 0.36 0.02 0.00 0.02 0.00 0.00 34.13 34.45 2jwu s GLU 15 CO 0.02 -0.33 0.62 0.00 -1.84 0.00 0.00 175.26 173.74 2jwu s ALA 16 N -3.89 -0.20 -0.03 -0.84 0.00 -0.18 -5.01 121.76 111.62 2jwu s ALA 16 Ca 0.08 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.08 2jwu s ALA 16 Cb 0.04 0.92 0.01 0.00 0.00 0.00 0.00 23.12 24.09 2jwu s ALA 16 CO -0.08 -0.90 -0.06 -1.50 0.00 0.00 0.00 175.76 173.22 2jwu s ILE 17 N -3.02 0.58 0.39 0.00 1.10 -1.26 -1.58 121.20 117.40 2jwu s ILE 17 Ca 0.21 -0.21 0.04 0.00 -0.51 0.00 0.00 60.65 60.18 2jwu s ILE 17 Cb -0.03 -0.55 -0.05 0.00 0.15 0.00 0.00 42.46 41.98 2jwu s ILE 17 CO 0.14 0.21 0.05 -0.54 -2.11 0.00 0.00 174.94 172.69 2jwu s LYS 18 N 0.46 1.86 -0.06 3.50 -0.14 0.31 -4.99 119.74 120.68 2jwu s LYS 18 Ca -0.06 -2.09 0.04 0.00 -1.36 0.00 0.00 55.97 52.50 2jwu s LYS 18 Cb -0.10 -1.08 0.00 0.00 -1.68 0.00 0.00 37.83 34.98 2jwu s LYS 18 CO 0.00 -0.25 -0.18 -1.21 -0.76 0.00 0.00 175.35 172.96 2jwu s GLU 19 N -3.81 2.09 0.00 1.68 2.02 -1.26 0.12 118.70 119.53 2jwu s GLU 19 Ca 0.29 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.65 2jwu s GLU 19 Cb 0.07 -1.71 0.00 0.00 0.10 0.00 0.00 34.13 32.59 2jwu s GLU 19 CO 0.14 0.16 0.00 1.28 0.02 0.00 0.00 175.26 176.86 2jwu n LEU 20 N 3.44 0.00 -0.05 1.80 4.77 0.11 -4.87 117.00 122.21 2jwu n LEU 20 Ca -0.20 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.72 2jwu n LEU 20 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 2jwu n LEU 20 CO 0.26 0.00 -0.43 1.33 -1.33 0.00 0.00 177.39 177.22 2jwu n VAL 21 N 0.00 1.17 -4.44 4.08 0.24 -1.26 0.34 118.33 118.47 2jwu n VAL 21 Ca 0.00 0.24 -0.30 0.00 -2.04 0.00 0.00 64.34 62.23 2jwu n VAL 21 Cb 0.00 -2.03 -0.06 0.00 -1.47 0.00 0.00 33.84 30.28 2jwu n VAL 21 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2jwu s ASP 22 N -5.62 4.29 0.05 -1.34 1.11 -1.26 -4.62 116.67 109.29 2jwu s ASP 22 Ca -0.18 -1.47 0.01 0.00 0.18 0.00 0.00 52.55 51.09 2jwu s ASP 22 Cb 0.03 0.37 -0.25 0.00 1.07 0.00 0.00 42.92 44.13 2jwu s ASP 22 CO 0.27 -0.89 1.02 0.00 1.18 0.00 0.00 175.17 176.75 2jwu h ALA 23 N 1.19 0.31 -0.41 5.23 0.00 -1.98 -2.50 119.26 121.11 2jwu h ALA 23 Ca -0.42 -1.04 0.08 0.00 0.00 0.00 0.00 54.91 53.53 2jwu h ALA 23 Cb 1.30 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.13 2jwu h ALA 23 CO 0.69 1.18 -0.12 0.00 0.00 0.00 0.00 179.25 181.00 2jwu h ALA 24 N 0.71 0.24 -0.18 0.00 0.00 -1.98 1.06 119.26 119.12 2jwu h ALA 24 Ca -0.16 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2jwu h ALA 24 Cb 1.94 0.35 0.00 0.00 0.00 0.00 0.00 17.79 20.08 2jwu h ALA 24 CO 0.15 -0.47 -0.35 1.15 0.00 0.00 0.00 179.25 179.73 2jwu h THR 25 N -0.02 1.34 -0.29 0.00 2.02 -2.00 -2.79 112.91 111.17 2jwu h THR 25 Ca 0.20 -1.59 0.07 0.00 0.77 0.00 0.00 66.41 65.86 2jwu h THR 25 Cb 0.33 1.92 -0.07 0.00 -1.74 0.00 0.00 68.15 68.59 2jwu h THR 25 CO -0.44 0.49 -0.23 0.00 0.37 0.00 0.00 175.52 175.70 2jwu h ALA 26 N 0.58 -0.07 -0.91 6.16 0.00 -0.79 0.45 119.26 124.68 2jwu h ALA 26 Ca 0.01 0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.22 2jwu h ALA 26 Cb 0.94 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 2jwu h ALA 26 CO 0.08 -0.64 0.60 1.49 0.00 0.00 0.00 179.25 180.78 2jwu h GLU 27 N -0.21 0.38 -0.06 0.00 4.22 0.11 1.64 114.58 120.66 2jwu h GLU 27 Ca 0.15 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.56 2jwu h GLU 27 Cb 0.45 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2jwu h GLU 27 CO -0.42 0.25 -0.02 -0.22 -2.18 0.00 0.00 179.01 176.43 2jwu h LYS 28 N 0.39 0.11 0.28 1.92 3.11 0.08 -1.18 116.57 121.29 2jwu h LYS 28 Ca 0.48 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 58.26 2jwu h LYS 28 Cb 1.21 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.44 2jwu h LYS 28 CO -0.18 0.47 -0.13 -0.92 -2.81 0.00 0.00 179.45 175.87 2jwu h TYR 29 N -0.25 -0.35 -0.74 1.91 5.03 0.10 -2.68 116.97 120.00 2jwu h TYR 29 Ca 0.01 -0.01 0.16 0.00 2.58 0.00 0.00 58.73 61.48 2jwu h TYR 29 Cb 0.43 0.12 -0.11 0.00 1.55 0.00 0.00 36.73 38.71 2jwu h TYR 29 CO 0.06 -0.22 0.18 0.74 -1.32 0.00 0.00 178.16 177.61 2jwu h PHE 30 N -1.02 0.29 -0.14 -3.82 0.04 0.22 0.31 116.94 112.81 2jwu h PHE 30 Ca -0.04 0.04 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 2jwu h PHE 30 Cb 0.29 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 2jwu h PHE 30 CO 0.01 -0.08 -0.23 -0.22 -0.60 0.00 0.00 178.31 177.18 2jwu h LYS 31 N 0.27 0.24 -0.05 1.51 3.11 -1.33 -1.99 116.57 118.35 2jwu h LYS 31 Ca 0.42 -0.08 -0.09 0.00 -2.81 0.00 0.00 60.65 58.10 2jwu h LYS 31 Cb 0.72 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.91 2jwu h LYS 31 CO -0.51 0.47 -0.37 -0.07 -2.81 0.00 0.00 179.45 176.16 2jwu h LEU 32 N 0.22 0.09 0.12 5.20 4.07 -0.09 -1.47 115.31 123.45 2jwu h LEU 32 Ca 0.04 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 2jwu h LEU 32 Cb 0.54 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.26 2jwu h LEU 32 CO 0.04 0.46 -0.06 0.22 -1.08 0.00 0.00 178.44 178.02 2jwu h TYR 33 N 0.08 -0.14 -0.05 1.13 5.03 -0.58 -2.56 116.97 119.88 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 0.70 0.05 -0.00 0.00 1.55 0.00 0.00 36.73 39.02 2jwu h TYR 33 CO 0.00 0.32 0.05 0.00 -1.32 0.00 0.00 178.16 177.21 2jwu h ALA 34 N -0.34 1.75 0.00 1.82 0.00 -1.38 0.44 119.26 121.54 2jwu h ALA 34 Ca -0.02 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 2jwu h ALA 34 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2jwu h ALA 34 CO 0.03 -0.07 -0.86 -0.97 0.00 0.00 0.00 179.25 177.37 2jwu h ASN 35 N 0.00 0.00 0.00 0.00 -1.24 -1.30 -2.32 115.58 110.72 2jwu h ASN 35 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.03 2jwu h ASN 35 Cb 0.12 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.17 2jwu h ASN 35 CO -0.00 0.86 -0.48 0.00 -1.29 0.00 0.00 177.43 176.53 2jwu n ALA 36 N -2.33 0.42 0.40 1.57 0.00 -0.33 -4.67 120.51 115.57 2jwu n ALA 36 Ca 0.00 -0.42 -0.17 0.00 0.00 0.00 0.00 53.44 52.85 2jwu n ALA 36 Cb 0.87 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 20.25 2jwu n ALA 36 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2jwu h LYS 37 N -0.79 -0.98 0.00 0.00 6.56 -0.39 -3.46 116.57 117.51 2jwu h LYS 37 Ca 0.00 0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 2jwu h LYS 37 Cb 0.48 0.22 0.00 0.00 -0.57 0.00 0.00 32.23 32.36 2jwu h LYS 37 CO 0.00 -0.63 0.00 2.41 -2.06 0.00 0.00 179.45 179.17 2jwu n THR 38 N -5.48 0.00 -4.30 -0.16 -1.04 -1.06 -5.05 114.28 97.20 2jwu n THR 38 Ca -0.14 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.62 2jwu n THR 38 Cb 0.41 -0.46 -0.09 0.00 -1.82 0.00 0.00 70.33 68.38 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 2.36 2.31 -0.47 12.58 1.01 -0.90 -4.28 120.40 133.00 2jwu s VAL 39 Ca 0.00 -1.83 -0.17 0.00 0.00 0.00 0.00 61.98 59.97 2jwu s VAL 39 Cb 0.00 -2.95 0.05 0.00 0.00 0.00 0.00 36.38 33.48 2jwu s VAL 39 CO 0.00 -0.05 0.51 -0.70 0.00 0.00 0.00 175.10 174.86 2jwu s GLU 40 N -3.81 3.07 0.00 2.72 2.12 -1.26 -4.64 118.70 116.89 2jwu s GLU 40 Ca 0.38 -1.00 0.00 0.00 0.36 0.00 0.00 54.97 54.71 2jwu s GLU 40 Cb 0.05 -4.08 0.00 0.00 0.26 0.00 0.00 34.13 30.36 2jwu s GLU 40 CO 0.21 -1.07 0.00 0.41 -0.54 0.00 0.00 175.26 174.27 2jwu n GLY 41 N 5.17 3.35 3.69 -1.50 0.00 -1.25 -4.93 105.19 109.71 2jwu n GLY 41 Ca -0.09 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 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 3.73 2.24 -0.10 1.61 1.01 0.13 -4.72 120.40 124.29 2jwu s VAL 42 Ca 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 2jwu s VAL 42 Cb 0.00 -2.17 0.05 0.00 0.00 0.00 0.00 36.38 34.26 2jwu s VAL 42 CO 0.00 -0.10 0.23 0.26 0.00 0.00 0.00 175.10 175.49 2jwu s TRP 43 N -2.69 -0.31 -0.18 5.22 0.52 -1.25 -2.55 118.94 117.70 2jwu s TRP 43 Ca 0.66 0.76 -0.05 0.00 0.02 0.00 0.00 56.10 57.49 2jwu s TRP 43 Cb -0.22 0.02 0.09 0.00 -1.15 0.00 0.00 33.47 32.21 2jwu s TRP 43 CO 0.58 -0.23 0.33 0.99 0.02 0.00 0.00 176.95 178.63 2jwu s THR 44 N 1.35 -0.51 0.25 2.01 2.01 0.32 -4.97 115.64 116.10 2jwu s THR 44 Ca -0.08 0.13 -0.08 0.00 0.31 0.00 0.00 61.69 61.96 2jwu s THR 44 Cb -0.11 -0.61 -0.07 0.00 0.01 0.00 0.00 72.50 71.72 2jwu s THR 44 CO -0.08 0.01 0.55 -0.47 -0.69 0.00 0.00 174.62 173.95 2jwu s TYR 45 N 2.49 3.44 -0.54 4.92 5.04 -1.26 0.21 117.35 131.65 2jwu s TYR 45 Ca 0.04 0.80 0.04 0.00 -2.44 0.00 0.00 57.07 55.51 2jwu s TYR 45 Cb -0.13 -2.21 0.15 0.00 0.35 0.00 0.00 41.96 40.11 2jwu s TYR 45 CO -0.12 0.23 0.34 0.15 -1.34 0.00 0.00 175.55 174.82 2jwu s LYS 46 N -3.07 1.75 0.66 4.97 3.01 0.14 -4.94 119.74 122.26 2jwu s LYS 46 Ca 0.46 -2.58 0.41 0.00 -1.01 0.00 0.00 55.97 53.25 2jwu s LYS 46 Cb -0.11 -2.73 2.26 0.00 -1.01 0.00 0.00 37.83 36.24 2jwu s LYS 46 CO 0.24 -1.23 2.29 0.22 0.51 0.00 0.00 175.35 177.38 2jwu h ASP 47 N 6.07 0.00 -0.85 2.83 1.82 -1.95 0.21 116.42 124.54 2jwu h ASP 47 Ca 0.07 0.00 0.22 0.00 -0.39 0.00 0.00 57.03 56.93 2jwu h ASP 47 Cb 0.86 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.82 2jwu h ASP 47 CO 0.58 0.00 0.59 -0.33 -1.61 0.00 0.00 179.24 178.47 2jwu h GLU 48 N 0.00 0.21 0.00 0.28 5.08 -1.96 -3.23 114.58 114.97 2jwu h GLU 48 Ca 0.00 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2jwu h GLU 48 Cb 0.13 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.23 2jwu h GLU 48 CO -0.00 0.14 -0.32 2.41 -1.00 0.00 0.00 179.01 180.24 2jwu n THR 49 N -4.41 0.00 -3.20 1.13 -1.04 -0.80 -5.06 114.28 100.89 2jwu n THR 49 Ca 0.18 -0.14 -0.15 0.00 -2.04 0.00 0.00 64.05 61.90 2jwu n THR 49 Cb 0.77 0.39 0.01 0.00 -1.82 0.00 0.00 70.33 69.69 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 0.07 -1.85 -3.70 -2.82 5.02 0.66 -4.73 118.16 110.81 2jwu n LYS 50 Ca -0.10 1.58 -0.17 0.00 -2.02 0.00 0.00 58.31 57.60 2jwu n LYS 50 Cb 0.69 -4.40 -0.16 0.00 -0.02 0.00 0.00 35.03 31.14 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 -2.56 -0.14 0.22 -0.18 2.01 -0.83 -2.38 115.64 111.78 2jwu s THR 51 Ca 0.16 0.32 -0.11 0.00 0.31 0.00 0.00 61.69 62.38 2jwu s THR 51 Cb -0.03 -0.21 -0.07 0.00 0.01 0.00 0.00 72.50 72.20 2jwu s THR 51 CO 0.81 0.13 0.56 -0.36 -0.69 0.00 0.00 174.62 175.07 2jwu s PHE 52 N 1.85 3.46 -0.06 4.92 0.40 0.12 0.27 117.98 128.93 2jwu s PHE 52 Ca -0.01 0.93 -0.01 0.00 -0.60 0.00 0.00 56.93 57.24 2jwu s PHE 52 Cb -0.12 -2.29 0.03 0.00 0.51 0.00 0.00 43.02 41.14 2jwu s PHE 52 CO -0.05 0.30 0.01 0.99 0.70 0.00 0.00 175.22 177.17 2jwu s THR 53 N -1.75 0.26 0.02 0.64 2.01 0.13 -2.04 115.64 114.91 2jwu s THR 53 Ca 0.46 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.62 2jwu s THR 53 Cb -0.12 -0.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.96 2jwu s THR 53 CO 0.21 0.22 -0.04 0.54 -0.69 0.00 0.00 174.62 174.86 2jwu s VAL 54 N 1.78 0.22 -0.03 3.82 0.11 -0.50 0.12 120.40 125.92 2jwu s VAL 54 Ca 0.01 -0.63 -0.01 0.00 -2.93 0.00 0.00 61.98 58.43 2jwu s VAL 54 Cb -0.13 -0.29 0.02 0.00 -1.53 0.00 0.00 36.38 34.46 2jwu s VAL 54 CO -0.04 -0.26 0.06 0.42 -3.33 0.00 0.00 175.10 171.94 2jwu s THR 55 N -0.89 -0.03 -2.00 5.04 -4.23 -1.06 -1.67 115.64 110.80 2jwu s THR 55 Ca -0.08 0.11 0.06 0.00 -1.18 0.00 0.00 61.69 60.60 2jwu s THR 55 Cb -0.06 -0.10 0.18 0.00 1.34 0.00 0.00 72.50 73.85 2jwu s THR 55 CO -0.00 0.05 0.84 1.21 -0.54 0.00 0.00 174.62 176.17