#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 3.46 -0.12 12.58 -1.32 -1.26 -1.59 115.64 127.38 2jwu s THR 2 Ca 0.00 0.96 -0.04 0.00 -1.21 0.00 0.00 61.69 61.41 2jwu s THR 2 Cb 0.00 -3.62 -0.03 0.00 -1.51 0.00 0.00 72.50 67.34 2jwu s THR 2 CO 0.00 0.04 0.01 -0.31 -2.21 0.00 0.00 174.62 172.15 2jwu s TYR 3 N 1.79 3.17 -0.06 9.09 2.02 0.18 -4.84 117.35 128.69 2jwu s TYR 3 Ca 0.65 0.08 0.02 0.00 -0.37 0.00 0.00 57.07 57.45 2jwu s TYR 3 Cb -0.35 -1.90 -0.03 0.00 -0.40 0.00 0.00 41.96 39.29 2jwu s TYR 3 CO 0.29 0.31 -0.09 0.15 -1.57 0.00 0.00 175.55 174.63 2jwu s LYS 4 N -0.36 2.69 -0.01 -0.62 1.02 -1.02 0.38 119.74 121.82 2jwu s LYS 4 Ca 0.07 -0.60 0.01 0.00 0.02 0.00 0.00 55.97 55.47 2jwu s LYS 4 Cb -0.12 -2.52 0.01 0.00 -0.52 0.00 0.00 37.83 34.67 2jwu s LYS 4 CO 0.02 0.63 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.90 2jwu s LEU 5 N -0.74 1.68 -0.07 3.17 2.96 -0.91 0.58 118.68 125.34 2jwu s LEU 5 Ca 0.11 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.98 2jwu s LEU 5 Cb -0.11 -0.17 0.03 0.00 0.50 0.00 0.00 46.19 46.44 2jwu s LEU 5 CO 0.01 -0.02 -0.02 0.27 -1.32 0.00 0.00 176.35 175.28 2jwu s ILE 6 N 0.36 0.49 -0.17 6.68 -5.25 -0.76 -1.70 121.20 120.85 2jwu s ILE 6 Ca -0.03 0.03 -0.06 0.00 -0.99 0.00 0.00 60.65 59.59 2jwu s ILE 6 Cb -0.06 -0.61 -0.04 0.00 2.95 0.00 0.00 42.46 44.71 2jwu s ILE 6 CO -0.01 0.27 0.04 -0.76 -1.79 0.00 0.00 174.94 172.69 2jwu s LEU 7 N 1.76 3.71 -0.43 0.37 1.02 0.17 -2.43 118.68 122.86 2jwu s LEU 7 Ca 0.02 0.06 -0.05 0.00 0.02 0.00 0.00 54.13 54.18 2jwu s LEU 7 Cb -0.13 -1.92 0.11 0.00 0.02 0.00 0.00 46.19 44.27 2jwu s LEU 7 CO -0.05 0.20 0.25 0.20 0.02 0.00 0.00 176.35 176.96 2jwu s ASN 8 N 0.23 5.41 0.51 2.29 0.01 -1.01 -1.82 114.94 120.57 2jwu s ASN 8 Ca 0.03 -1.94 0.01 0.00 -0.71 0.00 0.00 52.86 50.25 2jwu s ASN 8 Cb -0.13 -1.89 0.02 0.00 0.41 0.00 0.00 41.25 39.66 2jwu s ASN 8 CO 0.01 -0.58 0.72 -0.76 -1.51 0.00 0.00 177.10 174.98 2jwu s LEU 9 N 1.23 3.43 0.34 0.60 1.43 -0.58 -2.26 118.68 122.87 2jwu s LEU 9 Ca 0.07 0.07 0.21 0.00 -1.03 0.00 0.00 54.13 53.44 2jwu s LEU 9 Cb -0.24 -2.96 0.18 0.00 0.03 0.00 0.00 46.19 43.21 2jwu s LEU 9 CO -0.03 -0.96 1.42 0.11 0.23 0.00 0.00 176.35 177.12 2jwu h LYS 10 N 0.23 0.00 0.03 1.70 1.79 -1.99 -3.34 116.57 114.98 2jwu h LYS 10 Ca -0.43 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 57.66 2jwu h LYS 10 Cb 1.28 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.87 2jwu h LYS 10 CO 0.54 0.13 -2.27 1.04 -1.08 0.00 0.00 179.45 177.81 2jwu n GLN 11 N -3.04 0.68 -3.80 3.15 1.13 -1.26 -5.05 117.38 109.20 2jwu n GLN 11 Ca 0.02 0.16 -0.13 0.00 -1.94 0.00 0.00 57.00 55.11 2jwu n GLN 11 Cb 0.60 -1.59 -0.03 0.00 0.11 0.00 0.00 30.24 29.33 2jwu n GLN 11 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jwu n ALA 12 N -3.03 -0.36 -3.82 -1.58 0.00 -1.26 -5.15 120.51 105.31 2jwu n ALA 12 Ca -0.37 -1.49 -0.28 0.00 0.00 0.00 0.00 53.44 51.29 2jwu n ALA 12 Cb 1.04 1.20 -0.16 0.00 0.00 0.00 0.00 19.45 21.53 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 -2.72 1.06 -0.19 0.00 3.01 -1.26 -1.53 119.74 118.11 2jwu s LYS 13 Ca 0.26 -0.56 -0.05 0.00 -1.01 0.00 0.00 55.97 54.61 2jwu s LYS 13 Cb -0.01 -2.16 -0.03 0.00 -1.01 0.00 0.00 37.83 34.62 2jwu s LYS 13 CO 0.19 -0.57 0.01 -1.21 0.51 0.00 0.00 175.35 174.28 2jwu s GLU 14 N 1.70 3.68 -0.04 1.68 0.41 -0.75 -5.01 118.70 120.36 2jwu s GLU 14 Ca -0.02 -0.49 -0.03 0.00 -0.41 0.00 0.00 54.97 54.02 2jwu s GLU 14 Cb -0.17 -3.08 0.02 0.00 -1.78 0.00 0.00 34.13 29.11 2jwu s GLU 14 CO -0.07 0.08 0.11 -1.21 -0.49 0.00 0.00 175.26 173.68 2jwu s GLU 15 N 0.84 0.11 0.36 1.61 8.01 -1.26 0.46 118.70 128.83 2jwu s GLU 15 Ca 0.01 0.19 -0.11 0.00 0.01 0.00 0.00 54.97 55.07 2jwu s GLU 15 Cb -0.14 0.01 0.03 0.00 -4.31 0.00 0.00 34.13 29.72 2jwu s GLU 15 CO 0.02 -0.05 0.65 0.00 0.01 0.00 0.00 175.26 175.90 2jwu s ALA 16 N 0.29 -0.17 -0.01 5.21 0.00 -0.69 -5.02 121.76 121.37 2jwu s ALA 16 Ca -0.02 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 50.95 2jwu s ALA 16 Cb -0.03 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 2jwu s ALA 16 CO -0.01 -0.91 -0.09 0.42 0.00 0.00 0.00 175.76 175.17 2jwu s ILE 17 N -2.76 0.74 0.37 0.00 -1.09 -1.26 -2.14 121.20 115.06 2jwu s ILE 17 Ca 0.21 -0.39 0.04 0.00 -2.23 0.00 0.00 60.65 58.28 2jwu s ILE 17 Cb -0.03 -0.62 -0.05 0.00 -1.58 0.00 0.00 42.46 40.17 2jwu s ILE 17 CO 0.14 0.21 0.07 -0.54 -1.23 0.00 0.00 174.94 173.59 2jwu s LYS 18 N -0.14 1.81 -0.14 2.79 -0.14 0.16 -5.00 119.74 119.08 2jwu s LYS 18 Ca 0.02 -2.05 0.02 0.00 -1.36 0.00 0.00 55.97 52.61 2jwu s LYS 18 Cb -0.04 -0.94 0.01 0.00 -1.68 0.00 0.00 37.83 35.17 2jwu s LYS 18 CO -0.00 -0.27 -0.22 -2.00 -0.76 0.00 0.00 175.35 172.10 2jwu s GLU 19 N -3.83 2.97 0.10 1.68 -6.30 -1.26 0.49 118.70 112.55 2jwu s GLU 19 Ca 0.30 -0.84 0.02 0.00 -2.50 0.00 0.00 54.97 51.95 2jwu s GLU 19 Cb 0.07 -2.41 -0.01 0.00 0.00 0.00 0.00 34.13 31.78 2jwu s GLU 19 CO 0.14 -0.02 0.09 1.28 0.02 0.00 0.00 175.26 176.77 2jwu n LEU 20 N 4.10 0.00 -0.06 2.70 4.77 -0.62 -4.88 117.00 123.01 2jwu n LEU 20 Ca -0.20 -0.92 -0.07 0.00 -0.03 0.00 0.00 56.01 54.79 2jwu n LEU 20 Cb 0.51 0.53 -0.08 0.00 -2.33 0.00 0.00 43.42 42.06 2jwu n LEU 20 CO 0.27 -0.16 -0.89 0.52 -1.33 0.00 0.00 177.39 175.80 2jwu n VAL 21 N -0.18 0.76 -4.18 4.08 0.31 -1.26 0.11 118.33 117.96 2jwu n VAL 21 Ca 0.02 -0.39 -0.18 0.00 -0.01 0.00 0.00 64.34 63.78 2jwu n VAL 21 Cb 0.18 -0.83 -0.06 0.00 -0.91 0.00 0.00 33.84 32.23 2jwu n VAL 21 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2jwu s ASP 22 N -4.74 1.40 -0.08 4.52 2.15 -1.26 -3.52 116.67 115.14 2jwu s ASP 22 Ca -0.11 -1.66 -0.18 0.00 0.43 0.00 0.00 52.55 51.03 2jwu s ASP 22 Cb 0.04 0.63 -0.29 0.00 -0.30 0.00 0.00 42.92 43.00 2jwu s ASP 22 CO 0.39 -1.22 0.71 0.00 -0.17 0.00 0.00 175.17 174.88 2jwu h ALA 23 N 2.08 0.05 -0.64 3.66 0.00 -1.97 -2.13 119.26 120.31 2jwu h ALA 23 Ca -0.26 -0.92 0.13 0.00 0.00 0.00 0.00 54.91 53.86 2jwu h ALA 23 Cb 1.23 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 19.22 2jwu h ALA 23 CO 0.37 0.63 -0.12 0.00 0.00 0.00 0.00 179.25 180.13 2jwu h ALA 24 N 0.01 0.48 -0.24 0.00 0.00 -1.99 1.12 119.26 118.64 2jwu h ALA 24 Ca -0.24 0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 2jwu h ALA 24 Cb 1.72 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.97 2jwu h ALA 24 CO 0.10 -0.42 -0.53 1.15 0.00 0.00 0.00 179.25 179.55 2jwu h THR 25 N 0.02 1.29 -0.17 0.00 2.02 -2.00 -2.80 112.91 111.27 2jwu h THR 25 Ca 0.32 -1.73 0.05 0.00 0.77 0.00 0.00 66.41 65.82 2jwu h THR 25 Cb 0.50 1.75 -0.06 0.00 -1.74 0.00 0.00 68.15 68.60 2jwu h THR 25 CO -0.64 0.56 -0.25 0.00 0.37 0.00 0.00 175.52 175.56 2jwu h ALA 26 N 0.63 -0.20 -0.95 6.16 0.00 -0.03 0.29 119.26 125.16 2jwu h ALA 26 Ca 0.00 0.05 0.22 0.00 0.00 0.00 0.00 54.91 55.18 2jwu h ALA 26 Cb 1.15 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 19.36 2jwu h ALA 26 CO 0.12 -0.70 0.62 1.49 0.00 0.00 0.00 179.25 180.78 2jwu h GLU 27 N -0.29 0.40 0.05 0.00 4.81 0.12 1.47 114.58 121.13 2jwu h GLU 27 Ca 0.11 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2jwu h GLU 27 Cb 0.47 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2jwu h GLU 27 CO -0.34 0.27 -0.02 0.87 -0.73 0.00 0.00 179.01 179.05 2jwu h LYS 28 N 0.41 -0.06 0.34 1.92 6.56 -0.23 -0.53 116.57 124.99 2jwu h LYS 28 Ca 0.51 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 60.09 2jwu h LYS 28 Cb 1.27 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.94 2jwu h LYS 28 CO -0.21 0.24 -0.16 -0.92 -2.06 0.00 0.00 179.45 176.34 2jwu h TYR 29 N -0.37 -0.42 -0.65 -1.35 5.03 0.77 -2.69 116.97 117.28 2jwu h TYR 29 Ca -0.01 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.43 2jwu h TYR 29 Cb 0.33 0.14 -0.12 0.00 1.55 0.00 0.00 36.73 38.64 2jwu h TYR 29 CO 0.03 -0.26 -0.05 0.74 -1.32 0.00 0.00 178.16 177.29 2jwu h PHE 30 N -0.92 -0.14 -0.88 -3.82 0.04 0.18 0.56 116.94 111.97 2jwu h PHE 30 Ca -0.05 0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2jwu h PHE 30 Cb 0.35 0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.62 2jwu h PHE 30 CO 0.02 -0.22 0.49 -0.22 -0.60 0.00 0.00 178.31 177.78 2jwu h LYS 31 N 0.07 1.21 0.00 1.51 3.11 -1.21 -1.31 116.57 119.96 2jwu h LYS 31 Ca 0.34 -0.14 -0.03 0.00 -2.81 0.00 0.00 60.65 58.01 2jwu h LYS 31 Cb 0.55 -0.24 -0.00 0.00 -1.00 0.00 0.00 32.23 31.53 2jwu h LYS 31 CO -0.60 0.88 -0.12 -0.07 -2.81 0.00 0.00 179.45 176.73 2jwu h LEU 32 N 1.22 0.00 0.07 5.20 4.07 -0.59 -1.72 115.31 123.55 2jwu h LEU 32 Ca 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.27 2jwu h LEU 32 Cb 0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.75 2jwu h LEU 32 CO -0.05 0.12 -0.03 0.22 -1.08 0.00 0.00 178.44 177.62 2jwu h TYR 33 N 0.00 -0.08 -0.54 1.13 5.03 -0.14 -2.62 116.97 119.75 2jwu h TYR 33 Ca -0.00 -0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.42 2jwu h TYR 33 Cb 0.26 0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.54 2jwu h TYR 33 CO 0.00 0.23 0.37 0.00 -1.32 0.00 0.00 178.16 177.44 2jwu h ALA 34 N -0.68 2.22 0.00 1.82 0.00 -1.22 1.11 119.26 122.50 2jwu h ALA 34 Ca -0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2jwu h ALA 34 Cb 0.35 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2jwu h ALA 34 CO 0.02 -0.35 -0.91 -0.97 0.00 0.00 0.00 179.25 177.03 2jwu h ASN 35 N 0.21 0.00 0.00 0.00 -0.73 -1.42 0.62 115.58 114.26 2jwu h ASN 35 Ca 0.25 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 58.23 2jwu h ASN 35 Cb 0.72 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.28 2jwu h ASN 35 CO -0.05 0.91 -1.26 0.00 -0.37 0.00 0.00 177.43 176.67 2jwu n ALA 36 N -2.34 0.77 0.21 1.57 0.00 -0.29 -4.44 120.51 115.99 2jwu n ALA 36 Ca 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 53.44 52.74 2jwu n ALA 36 Cb 0.90 -0.23 -0.05 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.00 -0.57 0.00 0.00 6.56 0.10 -3.45 116.57 118.21 2jwu h LYS 37 Ca -0.29 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.34 2jwu h LYS 37 Cb 1.12 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 2jwu h LYS 37 CO -0.17 -0.38 0.00 0.25 -2.06 0.00 0.00 179.45 177.08 2jwu n THR 38 N -3.90 0.00 -3.61 -0.16 -2.24 -1.18 -5.07 114.28 98.12 2jwu n THR 38 Ca -0.07 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.68 2jwu n THR 38 Cb 0.25 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 68.02 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 0.01 2.28 0.11 0.22 -4.88 120.40 118.14 2jwu s VAL 39 Ca 0.00 -0.05 -0.08 0.00 -2.93 0.00 0.00 61.98 58.92 2jwu s VAL 39 Cb 0.00 -1.25 -0.05 0.00 -1.53 0.00 0.00 36.38 33.55 2jwu s VAL 39 CO 0.00 0.00 0.30 -0.70 -3.33 0.00 0.00 175.10 171.37 2jwu s GLU 40 N -2.36 3.63 0.00 1.54 -6.30 -1.25 -4.47 118.70 109.49 2jwu s GLU 40 Ca 0.11 0.00 0.00 0.00 -2.50 0.00 0.00 54.97 52.58 2jwu s GLU 40 Cb 0.01 -3.08 0.00 0.00 0.00 0.00 0.00 34.13 31.06 2jwu s GLU 40 CO -0.04 0.64 0.00 0.41 0.02 0.00 0.00 175.26 176.29 2jwu n GLY 41 N 1.17 2.25 3.77 -1.50 0.00 -1.26 -4.93 105.19 104.69 2jwu n GLY 41 Ca -0.11 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 1.30 2.16 0.04 1.61 1.01 0.31 -4.78 120.40 122.04 2jwu s VAL 42 Ca 0.00 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.18 2jwu s VAL 42 Cb 0.00 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 2jwu s VAL 42 CO 0.00 0.02 -0.18 0.26 0.00 0.00 0.00 175.10 175.21 2jwu s TRP 43 N -1.20 1.55 -0.23 5.22 0.52 -1.26 -1.11 118.94 122.42 2jwu s TRP 43 Ca 0.59 -0.36 -0.15 0.00 0.02 0.00 0.00 56.10 56.20 2jwu s TRP 43 Cb -0.43 -0.92 0.07 0.00 -1.15 0.00 0.00 33.47 31.03 2jwu s TRP 43 CO 0.56 0.06 0.58 0.99 0.02 0.00 0.00 176.95 179.16 2jwu s THR 44 N -0.80 -0.01 0.06 2.01 2.01 -0.17 -4.98 115.64 113.76 2jwu s THR 44 Ca 0.05 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.13 2jwu s THR 44 Cb -0.08 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 2jwu s THR 44 CO 0.01 0.01 -0.06 -0.47 -0.69 0.00 0.00 174.62 173.43 2jwu s TYR 45 N 1.22 2.87 -0.16 4.92 5.04 -1.26 0.11 117.35 130.09 2jwu s TYR 45 Ca -0.07 -0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.49 2jwu s TYR 45 Cb -0.06 -1.54 -0.00 0.00 0.35 0.00 0.00 41.96 40.71 2jwu s TYR 45 CO -0.12 0.42 -0.15 0.15 -1.34 0.00 0.00 175.55 174.51 2jwu s LYS 46 N -1.90 3.22 -0.22 4.97 -0.14 0.10 -4.99 119.74 120.78 2jwu s LYS 46 Ca 0.21 -0.75 0.07 0.00 -1.36 0.00 0.00 55.97 54.14 2jwu s LYS 46 Cb -0.11 -2.64 0.54 0.00 -1.68 0.00 0.00 37.83 33.93 2jwu s LYS 46 CO 0.12 -0.00 1.47 -0.25 -0.76 0.00 0.00 175.35 175.93 2jwu n ASP 47 N 4.12 4.03 0.05 2.83 9.92 -1.26 -2.43 116.55 133.80 2jwu n ASP 47 Ca -0.19 -2.83 -0.16 0.00 -0.53 0.00 0.00 54.79 51.08 2jwu n ASP 47 Cb 0.52 -0.67 -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 -0.33 0.13 0.00 0.00 177.20 177.00 2jwu h GLU 48 N 2.02 0.22 0.00 -1.24 5.08 -1.94 -3.43 114.58 115.29 2jwu h GLU 48 Ca 0.17 -0.38 -0.11 0.00 -1.00 0.00 0.00 59.36 58.04 2jwu h GLU 48 Cb 1.83 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 31.11 2jwu h GLU 48 CO 0.51 1.06 -0.22 2.41 -1.00 0.00 0.00 179.01 181.76 2jwu n THR 49 N -3.41 0.00 -2.74 1.13 -1.04 -1.26 -5.06 114.28 101.90 2jwu n THR 49 Ca -0.18 -0.20 -0.06 0.00 -2.04 0.00 0.00 64.05 61.57 2jwu n THR 49 Cb 1.04 0.51 0.01 0.00 -1.82 0.00 0.00 70.33 70.08 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 -0.32 -2.49 -3.75 -2.82 5.02 -1.18 -4.73 118.16 107.88 2jwu n LYS 50 Ca -0.19 2.18 -0.14 0.00 -2.02 0.00 0.00 58.31 58.14 2jwu n LYS 50 Cb 0.65 -5.38 -0.15 0.00 -0.02 0.00 0.00 35.03 30.13 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 -2.30 -0.05 0.07 -0.18 2.01 -1.02 -2.43 115.64 111.75 2jwu s THR 51 Ca 0.18 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.37 2jwu s THR 51 Cb -0.05 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 2jwu s THR 51 CO 0.73 0.07 0.22 -0.36 -0.69 0.00 0.00 174.62 174.59 2jwu s PHE 52 N 1.16 3.50 -0.23 4.92 0.40 0.20 0.03 117.98 127.95 2jwu s PHE 52 Ca -0.09 0.22 -0.03 0.00 -0.60 0.00 0.00 56.93 56.43 2jwu s PHE 52 Cb -0.12 -1.74 0.10 0.00 0.51 0.00 0.00 43.02 41.77 2jwu s PHE 52 CO -0.06 0.58 0.20 -0.08 0.70 0.00 0.00 175.22 176.56 2jwu s THR 53 N -1.54 -0.26 -0.11 0.64 -1.32 0.12 -1.83 115.64 111.33 2jwu s THR 53 Ca 0.35 -0.31 0.03 0.00 -1.21 0.00 0.00 61.69 60.55 2jwu s THR 53 Cb -0.13 -0.78 -0.00 0.00 -1.51 0.00 0.00 72.50 70.08 2jwu s THR 53 CO 0.28 -0.36 -0.21 0.54 -2.21 0.00 0.00 174.62 172.65 2jwu s VAL 54 N 2.27 2.29 0.22 5.08 0.11 -1.02 -1.00 120.40 128.34 2jwu s VAL 54 Ca 0.07 -0.94 0.02 0.00 -2.93 0.00 0.00 61.98 58.21 2jwu s VAL 54 Cb -0.15 -1.90 -0.05 0.00 -1.53 0.00 0.00 36.38 32.75 2jwu s VAL 54 CO -0.20 0.55 0.03 0.28 -3.33 0.00 0.00 175.10 172.43 2jwu s THR 55 N 0.37 0.75 -1.51 5.04 -1.32 -0.27 -2.39 115.64 116.31 2jwu s THR 55 Ca -0.17 -2.00 0.12 0.00 -1.21 0.00 0.00 61.69 58.43 2jwu s THR 55 Cb -0.17 -2.36 0.10 0.00 -1.51 0.00 0.00 72.50 68.55 2jwu s THR 55 CO 0.08 -0.28 0.88 1.21 -2.21 0.00 0.00 174.62 174.30