#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 3.77 -0.18 12.58 2.01 -1.26 -1.00 115.64 131.56 2jwu s THR 2 Ca 0.00 0.91 -0.09 0.00 0.31 0.00 0.00 61.69 62.82 2jwu s THR 2 Cb 0.00 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 2jwu s THR 2 CO 0.00 -0.14 0.12 -0.31 -0.69 0.00 0.00 174.62 173.60 2jwu s TYR 3 N 4.24 3.44 -0.07 4.92 2.02 0.37 -4.75 117.35 127.52 2jwu s TYR 3 Ca 0.69 0.36 0.04 0.00 -0.37 0.00 0.00 57.07 57.78 2jwu s TYR 3 Cb -0.28 -2.09 -0.02 0.00 -0.40 0.00 0.00 41.96 39.17 2jwu s TYR 3 CO 0.26 0.40 -0.17 0.15 -1.57 0.00 0.00 175.55 174.62 2jwu s LYS 4 N -0.03 2.70 -0.01 -0.62 1.02 -1.02 0.11 119.74 121.89 2jwu s LYS 4 Ca 0.10 -0.76 0.01 0.00 0.02 0.00 0.00 55.97 55.34 2jwu s LYS 4 Cb -0.11 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 2jwu s LYS 4 CO -0.00 0.46 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.68 2jwu s LEU 5 N -0.33 1.84 -0.05 3.17 2.96 -0.86 0.37 118.68 125.77 2jwu s LEU 5 Ca 0.02 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 2jwu s LEU 5 Cb -0.13 -0.29 0.02 0.00 0.50 0.00 0.00 46.19 46.30 2jwu s LEU 5 CO 0.02 0.03 -0.03 0.27 -1.32 0.00 0.00 176.35 175.32 2jwu s ILE 6 N 0.12 0.50 -0.11 6.68 -4.36 -0.83 -1.42 121.20 121.79 2jwu s ILE 6 Ca -0.01 -0.06 -0.00 0.00 -0.26 0.00 0.00 60.65 60.32 2jwu s ILE 6 Cb -0.05 -0.57 -0.02 0.00 1.25 0.00 0.00 42.46 43.07 2jwu s ILE 6 CO -0.00 0.24 -0.10 -0.76 0.24 0.00 0.00 174.94 174.56 2jwu s LEU 7 N 1.22 2.95 -0.37 0.37 1.02 0.26 -2.36 118.68 121.78 2jwu s LEU 7 Ca -0.06 -0.19 0.03 0.00 0.02 0.00 0.00 54.13 53.93 2jwu s LEU 7 Cb -0.14 -1.66 0.10 0.00 0.02 0.00 0.00 46.19 44.52 2jwu s LEU 7 CO -0.02 0.24 0.09 0.20 0.02 0.00 0.00 176.35 176.88 2jwu s ASN 8 N -0.09 4.77 0.93 2.29 0.01 -1.04 -1.35 114.94 120.46 2jwu s ASN 8 Ca -0.00 -2.24 -0.12 0.00 -0.71 0.00 0.00 52.86 49.79 2jwu s ASN 8 Cb -0.13 -1.65 0.19 0.00 0.41 0.00 0.00 41.25 40.06 2jwu s ASN 8 CO 0.03 -0.38 1.14 0.18 -1.51 0.00 0.00 177.10 176.56 2jwu n LEU 9 N 4.16 0.00 0.21 0.60 4.77 -1.06 -2.33 117.00 123.34 2jwu n LEU 9 Ca 0.04 -1.46 0.09 0.00 -0.03 0.00 0.00 56.01 54.65 2jwu n LEU 9 Cb 0.41 -0.85 0.37 0.00 -2.33 0.00 0.00 43.42 41.03 2jwu n LEU 9 CO 0.24 -1.27 0.74 0.50 -1.33 0.00 0.00 177.39 176.28 2jwu h LYS 10 N 0.00 0.00 -0.09 3.23 1.63 -2.00 -3.37 116.57 115.97 2jwu h LYS 10 Ca -0.37 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.22 2jwu h LYS 10 Cb 1.08 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 32.53 2jwu h LYS 10 CO 0.29 0.27 -0.42 0.00 -3.45 0.00 0.00 179.45 176.14 2jwu n GLN 11 N -3.36 1.29 -3.09 1.90 -0.00 -1.26 -5.07 117.38 107.78 2jwu n GLN 11 Ca 0.01 -1.77 0.05 0.00 -0.00 0.00 0.00 57.00 55.28 2jwu n GLN 11 Cb 0.48 -0.02 0.00 0.00 -0.00 0.00 0.00 30.24 30.70 2jwu n GLN 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jwu s ALA 12 N -0.27 -3.95 -0.33 2.61 0.00 -1.26 -5.13 121.76 113.44 2jwu s ALA 12 Ca 0.18 1.30 -0.25 0.00 0.00 0.00 0.00 51.96 53.18 2jwu s ALA 12 Cb 0.42 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.71 2jwu s ALA 12 CO -0.09 -2.14 0.88 0.15 0.00 0.00 0.00 175.76 174.55 2jwu s LYS 13 N 2.77 3.93 -0.09 0.00 1.02 -1.26 -2.57 119.74 123.54 2jwu s LYS 13 Ca 0.24 0.65 0.02 0.00 0.02 0.00 0.00 55.97 56.91 2jwu s LYS 13 Cb -0.02 -3.76 0.01 0.00 -0.52 0.00 0.00 37.83 33.55 2jwu s LYS 13 CO -0.22 -0.80 -0.16 -2.00 -0.92 0.00 0.00 175.35 171.25 2jwu s GLU 14 N 3.23 2.21 -0.05 1.68 2.56 -0.46 -5.03 118.70 122.85 2jwu s GLU 14 Ca 0.36 -0.58 -0.06 0.00 0.00 0.00 0.00 54.97 54.70 2jwu s GLU 14 Cb -0.13 -1.80 0.01 0.00 2.00 0.00 0.00 34.13 34.21 2jwu s GLU 14 CO 0.15 0.02 0.15 -1.21 -0.56 0.00 0.00 175.26 173.81 2jwu s GLU 15 N 0.72 0.24 0.38 4.30 8.01 -1.26 0.91 118.70 132.00 2jwu s GLU 15 Ca -0.12 0.08 -0.10 0.00 0.01 0.00 0.00 54.97 54.84 2jwu s GLU 15 Cb -0.16 0.11 0.03 0.00 -4.31 0.00 0.00 34.13 29.81 2jwu s GLU 15 CO 0.03 -0.04 0.66 0.00 0.01 0.00 0.00 175.26 175.92 2jwu s ALA 16 N -0.23 -0.06 -0.03 5.21 0.00 -0.51 -5.02 121.76 121.13 2jwu s ALA 16 Ca -0.03 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.82 2jwu s ALA 16 Cb -0.03 0.87 0.02 0.00 0.00 0.00 0.00 23.12 23.99 2jwu s ALA 16 CO 0.00 -0.90 -0.00 0.42 0.00 0.00 0.00 175.76 175.28 2jwu s ILE 17 N -2.53 0.20 -0.02 0.00 -1.09 -1.26 -2.04 121.20 114.45 2jwu s ILE 17 Ca 0.22 0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.72 2jwu s ILE 17 Cb -0.03 -0.28 0.00 0.00 -1.58 0.00 0.00 42.46 40.57 2jwu s ILE 17 CO 0.16 0.14 -0.08 -0.54 -1.23 0.00 0.00 174.94 173.39 2jwu s LYS 18 N 0.94 0.78 0.15 2.79 -0.14 0.31 -4.98 119.74 119.59 2jwu s LYS 18 Ca -0.10 -0.26 -0.15 0.00 -1.36 0.00 0.00 55.97 54.10 2jwu s LYS 18 Cb -0.13 -0.75 -0.07 0.00 -1.68 0.00 0.00 37.83 35.20 2jwu s LYS 18 CO -0.01 0.11 0.58 -2.00 -0.76 0.00 0.00 175.35 173.26 2jwu s GLU 19 N 0.11 4.04 0.00 1.68 2.12 -1.26 0.14 118.70 125.53 2jwu s GLU 19 Ca -0.01 0.57 0.00 0.00 0.36 0.00 0.00 54.97 55.88 2jwu s GLU 19 Cb -0.07 -2.95 0.00 0.00 0.26 0.00 0.00 34.13 31.38 2jwu s GLU 19 CO 0.00 0.48 0.00 1.28 -0.54 0.00 0.00 175.26 176.48 2jwu n LEU 20 N 0.86 0.00 -0.08 2.70 7.99 -0.17 -4.81 117.00 123.49 2jwu n LEU 20 Ca -0.05 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.80 2jwu n LEU 20 Cb 0.52 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.76 2jwu n LEU 20 CO 0.42 0.00 -1.02 1.33 -1.51 0.00 0.00 177.39 176.61 2jwu n VAL 21 N 0.00 0.87 -4.39 4.08 0.24 -1.26 0.12 118.33 117.99 2jwu n VAL 21 Ca 0.00 -0.26 -0.22 0.00 -2.04 0.00 0.00 64.34 61.81 2jwu n VAL 21 Cb 0.00 -1.44 -0.08 0.00 -1.47 0.00 0.00 33.84 30.85 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 -6.04 2.16 -0.01 -1.34 -1.08 -1.26 -4.26 116.67 104.84 2jwu s ASP 22 Ca -0.21 -1.73 -0.14 0.00 -0.52 0.00 0.00 52.55 49.95 2jwu s ASP 22 Cb 0.07 0.56 -0.33 0.00 -1.46 0.00 0.00 42.92 41.76 2jwu s ASP 22 CO 0.31 -1.02 0.83 0.00 0.52 0.00 0.00 175.17 175.81 2jwu h ALA 23 N 1.98 -0.00 -0.58 3.66 0.00 -1.98 -2.35 119.26 119.98 2jwu h ALA 23 Ca -0.29 -1.00 0.12 0.00 0.00 0.00 0.00 54.91 53.74 2jwu h ALA 23 Cb 1.25 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 19.26 2jwu h ALA 23 CO 0.45 0.85 -0.08 0.00 0.00 0.00 0.00 179.25 180.46 2jwu h ALA 24 N 0.12 0.46 -0.25 0.00 0.00 -1.99 0.96 119.26 118.57 2jwu h ALA 24 Ca -0.30 0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 2jwu h ALA 24 Cb 2.12 0.38 0.00 0.00 0.00 0.00 0.00 17.79 20.30 2jwu h ALA 24 CO 0.22 -0.42 -0.47 1.15 0.00 0.00 0.00 179.25 179.73 2jwu h THR 25 N 0.05 1.30 -0.15 0.00 2.02 -2.00 -2.79 112.91 111.33 2jwu h THR 25 Ca 0.29 -1.67 0.05 0.00 0.77 0.00 0.00 66.41 65.85 2jwu h THR 25 Cb 0.45 1.74 -0.06 0.00 -1.74 0.00 0.00 68.15 68.55 2jwu h THR 25 CO -0.56 0.53 -0.26 0.00 0.37 0.00 0.00 175.52 175.61 2jwu h ALA 26 N 0.64 -0.24 -0.95 6.16 0.00 -0.41 0.31 119.26 124.78 2jwu h ALA 26 Ca 0.01 0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.19 2jwu h ALA 26 Cb 1.07 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 19.31 2jwu h ALA 26 CO 0.11 -0.72 0.63 1.49 0.00 0.00 0.00 179.25 180.75 2jwu h GLU 27 N -0.32 0.35 -0.11 0.00 4.81 0.88 1.63 114.58 121.83 2jwu h GLU 27 Ca 0.11 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2jwu h GLU 27 Cb 0.48 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2jwu h GLU 27 CO -0.34 0.23 -0.03 -0.22 -0.73 0.00 0.00 179.01 177.92 2jwu h LYS 28 N 0.37 0.21 0.23 1.92 3.64 -0.20 -1.32 116.57 121.42 2jwu h LYS 28 Ca 0.50 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.78 2jwu h LYS 28 Cb 1.32 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2jwu h LYS 28 CO -0.19 0.53 -0.11 -0.92 -2.27 0.00 0.00 179.45 176.49 2jwu h TYR 29 N -0.12 -0.29 -0.75 1.91 5.03 0.11 -2.69 116.97 120.16 2jwu h TYR 29 Ca 0.03 -0.01 0.16 0.00 2.58 0.00 0.00 58.73 61.49 2jwu h TYR 29 Cb 0.46 0.10 -0.11 0.00 1.55 0.00 0.00 36.73 38.73 2jwu h TYR 29 CO 0.06 -0.18 0.21 0.74 -1.32 0.00 0.00 178.16 177.66 2jwu h PHE 30 N -1.01 0.32 -0.52 -3.82 0.04 0.21 -0.10 116.94 112.07 2jwu h PHE 30 Ca -0.03 0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 2jwu h PHE 30 Cb 0.24 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 2jwu h PHE 30 CO 0.00 -0.07 -0.05 -0.22 -0.60 0.00 0.00 178.31 177.38 2jwu h LYS 31 N 0.29 0.94 0.00 1.51 3.11 -1.36 -1.63 116.57 119.43 2jwu h LYS 31 Ca 0.43 -0.32 -0.02 0.00 -2.81 0.00 0.00 60.65 57.93 2jwu h LYS 31 Cb 0.74 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.89 2jwu h LYS 31 CO -0.51 0.98 -0.08 -0.07 -2.81 0.00 0.00 179.45 176.97 2jwu h LEU 32 N 0.81 0.00 0.08 5.20 4.07 -0.73 0.21 115.31 124.95 2jwu h LEU 32 Ca 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 2jwu h LEU 32 Cb 0.59 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.33 2jwu h LEU 32 CO 0.04 0.08 -0.04 0.22 -1.08 0.00 0.00 178.44 177.65 2jwu h TYR 33 N 0.00 -0.10 0.00 1.13 5.03 -0.72 -1.85 116.97 120.45 2jwu h TYR 33 Ca -0.00 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 2jwu h TYR 33 Cb 0.14 0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.45 2jwu h TYR 33 CO 0.00 0.42 -0.04 0.00 -1.32 0.00 0.00 178.16 177.22 2jwu h ALA 34 N -0.28 1.65 0.00 1.82 0.00 -1.11 0.84 119.26 122.18 2jwu h ALA 34 Ca -0.01 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2jwu h ALA 34 Cb 0.57 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2jwu h ALA 34 CO 0.02 0.05 -1.09 -0.97 0.00 0.00 0.00 179.25 177.26 2jwu h ASN 35 N 0.00 0.00 0.00 0.00 -0.73 -1.01 -3.00 115.58 110.84 2jwu h ASN 35 Ca -0.00 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 57.96 2jwu h ASN 35 Cb 0.09 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.65 2jwu h ASN 35 CO 0.01 0.74 -1.29 0.00 -0.37 0.00 0.00 177.43 176.52 2jwu n ALA 36 N -2.36 0.78 0.24 1.57 0.00 -0.66 -4.56 120.51 115.51 2jwu n ALA 36 Ca -0.05 -0.58 -0.15 0.00 0.00 0.00 0.00 53.44 52.66 2jwu n ALA 36 Cb 0.87 -0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.56 0.00 0.00 6.56 0.48 -3.47 116.57 118.57 2jwu h LYS 37 Ca -0.32 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.31 2jwu h LYS 37 Cb 1.17 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.96 2jwu h LYS 37 CO -0.19 -0.30 0.00 0.25 -2.06 0.00 0.00 179.45 177.15 2jwu n THR 38 N -5.28 0.00 -3.22 -0.16 -2.24 -1.14 -5.06 114.28 97.18 2jwu n THR 38 Ca -0.11 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.42 2jwu n THR 38 Cb 0.28 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.50 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 0.41 5.06 -0.35 2.28 1.01 -1.20 -4.00 120.40 123.61 2jwu s VAL 39 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 2jwu s VAL 39 Cb 0.00 -3.86 0.07 0.00 0.00 0.00 0.00 36.38 32.59 2jwu s VAL 39 CO 0.00 -0.61 0.11 -1.83 0.00 0.00 0.00 175.10 172.77 2jwu s GLU 40 N -4.37 2.32 0.00 2.72 -1.05 -1.26 -4.70 118.70 112.36 2jwu s GLU 40 Ca 0.42 -1.47 0.00 0.00 -0.15 0.00 0.00 54.97 53.77 2jwu s GLU 40 Cb -0.10 -3.42 0.00 0.00 -0.44 0.00 0.00 34.13 30.17 2jwu s GLU 40 CO 0.38 -0.82 0.00 0.41 0.95 0.00 0.00 175.26 176.18 2jwu n GLY 41 N 4.67 1.38 3.69 -3.83 0.00 -1.21 -4.97 105.19 104.92 2jwu n GLY 41 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 2jwu n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jwu s VAL 42 N 3.41 2.20 -0.22 1.61 -7.23 0.94 -4.73 120.40 116.38 2jwu s VAL 42 Ca 0.00 0.07 -0.04 0.00 -1.81 0.00 0.00 61.98 60.20 2jwu s VAL 42 Cb 0.00 -2.21 0.07 0.00 0.56 0.00 0.00 36.38 34.80 2jwu s VAL 42 CO 0.00 -0.08 0.08 0.26 -0.31 0.00 0.00 175.10 175.05 2jwu s TRP 43 N -2.59 0.63 -0.28 2.82 0.52 -1.26 -2.54 118.94 116.26 2jwu s TRP 43 Ca 0.67 -0.76 -0.00 0.00 0.02 0.00 0.00 56.10 56.02 2jwu s TRP 43 Cb -0.23 -0.95 0.05 0.00 -1.15 0.00 0.00 33.47 31.19 2jwu s TRP 43 CO 0.56 -0.66 -0.04 0.99 0.02 0.00 0.00 176.95 177.82 2jwu s THR 44 N 1.99 2.73 0.16 2.01 2.01 0.37 -4.97 115.64 119.94 2jwu s THR 44 Ca 0.04 -1.39 -0.12 0.00 0.31 0.00 0.00 61.69 60.53 2jwu s THR 44 Cb -0.16 -2.54 -0.07 0.00 0.01 0.00 0.00 72.50 69.73 2jwu s THR 44 CO -0.17 -0.03 0.52 -0.47 -0.69 0.00 0.00 174.62 173.78 2jwu s TYR 45 N 1.22 3.55 -0.16 4.92 5.04 -1.26 -0.75 117.35 129.92 2jwu s TYR 45 Ca -0.05 0.96 -0.00 0.00 -2.44 0.00 0.00 57.07 55.53 2jwu s TYR 45 Cb -0.19 -2.30 -0.00 0.00 0.35 0.00 0.00 41.96 39.82 2jwu s TYR 45 CO -0.03 0.40 -0.14 0.15 -1.34 0.00 0.00 175.55 174.60 2jwu s LYS 46 N -2.19 3.25 -0.50 4.97 3.01 0.34 -4.97 119.74 123.65 2jwu s LYS 46 Ca 0.40 -0.73 -0.02 0.00 -1.01 0.00 0.00 55.97 54.61 2jwu s LYS 46 Cb -0.14 -2.67 0.30 0.00 -1.01 0.00 0.00 37.83 34.31 2jwu s LYS 46 CO 0.20 0.01 2.10 -3.47 0.51 0.00 0.00 175.35 174.69 2jwu n ASP 47 N 4.10 7.03 -0.06 2.83 2.03 -1.26 -2.41 116.55 128.82 2jwu n ASP 47 Ca -0.19 -3.41 -0.05 0.00 0.52 0.00 0.00 54.79 51.65 2jwu n ASP 47 Cb 0.52 -1.04 -0.11 0.00 -0.72 0.00 0.00 41.12 39.76 2jwu n ASP 47 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2jwu n GLU 48 N -0.16 1.50 -1.83 -0.67 0.00 -1.26 -4.85 120.64 113.38 2jwu n GLU 48 Ca 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 57.16 57.59 2jwu n GLU 48 Cb 0.58 -1.37 0.04 0.00 0.00 0.00 0.00 31.44 30.69 2jwu n GLU 48 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2jwu n THR 49 N -2.47 0.00 -2.98 6.31 5.66 -1.26 -5.04 114.28 114.50 2jwu n THR 49 Ca -0.21 -0.29 -0.03 0.00 -3.05 0.00 0.00 64.05 60.47 2jwu n THR 49 Cb 0.90 0.64 0.00 0.00 -1.55 0.00 0.00 70.33 70.32 2jwu n THR 49 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2jwu n LYS 50 N -0.46 -1.74 -5.05 1.09 5.02 -1.24 -4.72 118.16 111.06 2jwu n LYS 50 Ca -0.05 1.74 -0.28 0.00 -2.02 0.00 0.00 58.31 57.70 2jwu n LYS 50 Cb 0.61 -5.73 -0.16 0.00 -0.02 0.00 0.00 35.03 29.73 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 -2.85 1.70 -0.09 -0.18 2.01 -1.01 -2.43 115.64 112.79 2jwu s THR 51 Ca 0.10 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.21 2jwu s THR 51 Cb -0.03 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.06 2jwu s THR 51 CO 0.76 0.47 -0.22 -0.36 -0.69 0.00 0.00 174.62 174.58 2jwu s PHE 52 N -0.51 2.57 -0.13 4.92 0.40 0.16 -0.50 117.98 124.89 2jwu s PHE 52 Ca 0.08 -0.89 0.00 0.00 -0.60 0.00 0.00 56.93 55.53 2jwu s PHE 52 Cb -0.08 -1.70 0.02 0.00 0.51 0.00 0.00 43.02 41.77 2jwu s PHE 52 CO -0.01 -0.33 -0.11 0.99 0.70 0.00 0.00 175.22 176.47 2jwu s THR 53 N 0.20 1.30 -0.02 0.64 2.01 0.07 -1.97 115.64 117.87 2jwu s THR 53 Ca -0.13 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.40 2jwu s THR 53 Cb -0.17 -1.26 0.02 0.00 0.01 0.00 0.00 72.50 71.11 2jwu s THR 53 CO 0.07 0.41 0.00 0.54 -0.69 0.00 0.00 174.62 174.96 2jwu s VAL 54 N 1.52 0.11 0.05 3.82 0.11 -0.99 0.14 120.40 125.16 2jwu s VAL 54 Ca 0.03 0.08 -0.02 0.00 -2.93 0.00 0.00 61.98 59.14 2jwu s VAL 54 Cb -0.13 -0.19 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 2jwu s VAL 54 CO -0.08 0.11 0.01 0.28 -3.33 0.00 0.00 175.10 172.08 2jwu s THR 55 N 0.76 0.18 0.00 5.04 -1.32 -1.05 -2.48 115.64 116.77 2jwu s THR 55 Ca -0.07 -1.51 0.00 0.00 -1.21 0.00 0.00 61.69 58.90 2jwu s THR 55 Cb -0.10 -1.22 0.00 0.00 -1.51 0.00 0.00 72.50 69.67 2jwu s THR 55 CO -0.02 -0.83 0.00 1.21 -2.21 0.00 0.00 174.62 172.77