#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 2.15 -0.08 12.58 -1.32 -1.26 0.28 115.64 128.00 2jwu s THR 2 Ca 0.00 -1.12 -0.05 0.00 -1.21 0.00 0.00 61.69 59.31 2jwu s THR 2 Cb 0.00 -2.02 -0.04 0.00 -1.51 0.00 0.00 72.50 68.94 2jwu s THR 2 CO 0.00 0.37 0.14 -0.31 -2.21 0.00 0.00 174.62 172.60 2jwu s TYR 3 N 1.24 3.53 -0.09 9.09 2.02 0.32 -4.88 117.35 128.58 2jwu s TYR 3 Ca 0.01 0.43 0.04 0.00 -0.37 0.00 0.00 57.07 57.18 2jwu s TYR 3 Cb -0.15 -1.88 -0.01 0.00 -0.40 0.00 0.00 41.96 39.52 2jwu s TYR 3 CO -0.10 0.68 -0.21 0.21 -1.57 0.00 0.00 175.55 174.55 2jwu s LYS 4 N -1.34 2.91 -0.03 -0.62 2.36 -1.01 0.85 119.74 122.87 2jwu s LYS 4 Ca 0.19 -0.83 0.02 0.00 -2.55 0.00 0.00 55.97 52.80 2jwu s LYS 4 Cb -0.12 -2.33 0.01 0.00 -1.05 0.00 0.00 37.83 34.34 2jwu s LYS 4 CO 0.09 0.29 -0.06 -1.17 1.55 0.00 0.00 175.35 176.05 2jwu s LEU 5 N 0.08 1.58 -0.10 5.43 2.96 -0.72 0.83 118.68 128.74 2jwu s LEU 5 Ca -0.09 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 2jwu s LEU 5 Cb -0.15 -0.45 0.02 0.00 0.50 0.00 0.00 46.19 46.11 2jwu s LEU 5 CO 0.06 0.00 -0.09 0.27 -1.32 0.00 0.00 176.35 175.27 2jwu s ILE 6 N 0.52 1.04 -0.22 6.68 -4.36 -0.90 -1.42 121.20 122.55 2jwu s ILE 6 Ca -0.07 -0.33 -0.05 0.00 -0.26 0.00 0.00 60.65 59.93 2jwu s ILE 6 Cb -0.11 -1.03 -0.02 0.00 1.25 0.00 0.00 42.46 42.55 2jwu s ILE 6 CO 0.00 0.36 0.00 -0.76 0.24 0.00 0.00 174.94 174.79 2jwu s LEU 7 N 1.41 3.20 -0.45 0.37 1.02 0.20 -2.41 118.68 122.02 2jwu s LEU 7 Ca -0.01 -0.25 -0.13 0.00 0.02 0.00 0.00 54.13 53.76 2jwu s LEU 7 Cb -0.13 -1.82 0.07 0.00 0.02 0.00 0.00 46.19 44.33 2jwu s LEU 7 CO -0.05 0.02 0.33 0.20 0.02 0.00 0.00 176.35 176.87 2jwu s ASN 8 N 1.26 5.92 0.55 2.29 0.01 -1.02 -1.87 114.94 122.08 2jwu s ASN 8 Ca 0.04 -1.39 0.01 0.00 -0.71 0.00 0.00 52.86 50.80 2jwu s ASN 8 Cb -0.15 -2.10 0.03 0.00 0.41 0.00 0.00 41.25 39.45 2jwu s ASN 8 CO 0.01 -0.59 0.78 -0.76 -1.51 0.00 0.00 177.10 175.03 2jwu s LEU 9 N 1.55 3.27 -0.81 0.60 1.43 -1.04 -2.17 118.68 121.50 2jwu s LEU 9 Ca 0.04 0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.10 2jwu s LEU 9 Cb -0.24 -2.89 0.04 0.00 0.03 0.00 0.00 46.19 43.13 2jwu s LEU 9 CO 0.05 -1.14 2.73 1.17 0.23 0.00 0.00 176.35 179.39 2jwu n LYS 10 N -2.35 3.28 0.00 1.70 3.00 -1.26 -3.87 118.16 118.66 2jwu n LYS 10 Ca 0.08 -2.62 0.00 0.00 -0.00 0.00 0.00 58.31 55.77 2jwu n LYS 10 Cb 0.60 -2.36 0.00 0.00 0.00 0.00 0.00 35.03 33.27 2jwu n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jwu n GLN 11 N 1.55 0.00 -3.66 1.64 10.64 -1.26 -5.15 117.38 121.13 2jwu n GLN 11 Ca 0.55 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.61 2jwu n GLN 11 Cb 0.45 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.78 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 -1.08 -0.92 -0.28 2.61 0.00 -1.25 -5.14 121.76 115.69 2jwu s ALA 12 Ca 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 51.96 51.95 2jwu s ALA 12 Cb 0.00 0.52 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 2jwu s ALA 12 CO 0.00 -0.55 0.13 0.15 0.00 0.00 0.00 175.76 175.50 2jwu s LYS 13 N -3.19 3.59 -0.22 0.00 1.02 -1.26 -2.51 119.74 117.17 2jwu s LYS 13 Ca -0.01 -0.54 -0.01 0.00 0.02 0.00 0.00 55.97 55.43 2jwu s LYS 13 Cb 0.01 -3.51 0.01 0.00 -0.52 0.00 0.00 37.83 33.82 2jwu s LYS 13 CO -0.08 -0.28 -0.10 -2.00 -0.92 0.00 0.00 175.35 171.97 2jwu s GLU 14 N 1.65 3.03 0.07 1.68 2.56 -0.78 -5.03 118.70 121.88 2jwu s GLU 14 Ca 0.06 -0.83 0.05 0.00 0.00 0.00 0.00 54.97 54.25 2jwu s GLU 14 Cb -0.16 -2.87 -0.03 0.00 2.00 0.00 0.00 34.13 33.07 2jwu s GLU 14 CO 0.07 -0.29 -0.15 -1.83 -0.56 0.00 0.00 175.26 172.50 2jwu s GLU 15 N 1.36 0.85 0.23 4.30 -1.05 -1.26 -0.63 118.70 122.49 2jwu s GLU 15 Ca 0.03 -0.96 -0.16 0.00 -0.15 0.00 0.00 54.97 53.73 2jwu s GLU 15 Cb -0.15 -0.87 0.01 0.00 -0.44 0.00 0.00 34.13 32.68 2jwu s GLU 15 CO -0.07 0.20 0.54 0.00 0.95 0.00 0.00 175.26 176.88 2jwu s ALA 16 N -1.25 -0.69 -0.03 -0.84 0.00 -0.51 -5.02 121.76 113.43 2jwu s ALA 16 Ca -0.01 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.45 2jwu s ALA 16 Cb -0.10 0.94 -0.00 0.00 0.00 0.00 0.00 23.12 23.96 2jwu s ALA 16 CO 0.02 -0.87 -0.13 -1.50 0.00 0.00 0.00 175.76 173.28 2jwu s ILE 17 N -3.95 1.09 0.42 0.00 1.10 -1.26 -1.75 121.20 116.86 2jwu s ILE 17 Ca 0.15 -0.55 0.04 0.00 -0.51 0.00 0.00 60.65 59.78 2jwu s ILE 17 Cb -0.02 -0.94 -0.05 0.00 0.15 0.00 0.00 42.46 41.60 2jwu s ILE 17 CO 0.04 0.32 0.03 -0.54 -2.11 0.00 0.00 174.94 172.69 2jwu s LYS 18 N -0.03 1.95 -0.22 3.50 -0.14 0.25 -4.97 119.74 120.09 2jwu s LYS 18 Ca -0.00 -2.15 0.02 0.00 -1.36 0.00 0.00 55.97 52.47 2jwu s LYS 18 Cb -0.08 -1.33 0.04 0.00 -1.68 0.00 0.00 37.83 34.78 2jwu s LYS 18 CO 0.01 -0.21 -0.15 -1.21 -0.76 0.00 0.00 175.35 173.03 2jwu s GLU 19 N -3.79 2.56 0.00 1.68 2.02 -1.26 0.12 118.70 120.02 2jwu s GLU 19 Ca 0.26 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.20 2jwu s GLU 19 Cb 0.07 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.61 2jwu s GLU 19 CO 0.13 -0.39 0.00 1.28 0.02 0.00 0.00 175.26 176.30 2jwu n LEU 20 N 4.55 0.00 -0.01 1.80 4.77 0.14 -4.90 117.00 123.36 2jwu n LEU 20 Ca -0.17 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.79 2jwu n LEU 20 Cb 0.46 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 2jwu n LEU 20 CO 0.23 0.00 -0.56 1.33 -1.33 0.00 0.00 177.39 177.07 2jwu n VAL 21 N 0.00 0.09 -4.46 4.08 0.24 -1.26 -1.39 118.33 115.63 2jwu n VAL 21 Ca 0.00 -0.03 -0.23 0.00 -2.04 0.00 0.00 64.34 62.05 2jwu n VAL 21 Cb 0.00 -1.27 -0.10 0.00 -1.47 0.00 0.00 33.84 30.99 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 -4.90 3.08 0.08 -1.34 2.15 -1.26 -4.27 116.67 110.22 2jwu s ASP 22 Ca -0.02 -1.18 -0.14 0.00 0.43 0.00 0.00 52.55 51.64 2jwu s ASP 22 Cb 0.01 -0.23 -0.17 0.00 -0.30 0.00 0.00 42.92 42.23 2jwu s ASP 22 CO 0.03 -0.27 1.27 0.00 -0.17 0.00 0.00 175.17 176.03 2jwu h ALA 23 N 2.22 0.26 -0.56 3.66 0.00 -1.98 -0.87 119.26 121.98 2jwu h ALA 23 Ca -0.40 -0.58 0.11 0.00 0.00 0.00 0.00 54.91 54.04 2jwu h ALA 23 Cb 1.24 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 2jwu h ALA 23 CO 0.67 0.60 -0.11 0.00 0.00 0.00 0.00 179.25 180.41 2jwu h ALA 24 N 0.51 0.40 -0.28 0.00 0.00 -1.99 1.01 119.26 118.92 2jwu h ALA 24 Ca -0.05 0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2jwu h ALA 24 Cb 1.36 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 2jwu h ALA 24 CO 0.15 -0.43 -0.34 1.15 0.00 0.00 0.00 179.25 179.78 2jwu h THR 25 N 0.02 1.30 -0.26 0.00 2.02 -1.99 -2.80 112.91 111.20 2jwu h THR 25 Ca 0.27 -1.52 0.06 0.00 0.77 0.00 0.00 66.41 66.00 2jwu h THR 25 Cb 0.42 1.62 -0.07 0.00 -1.74 0.00 0.00 68.15 68.38 2jwu h THR 25 CO -0.56 0.49 -0.22 0.00 0.37 0.00 0.00 175.52 175.60 2jwu h ALA 26 N 0.69 -0.07 -0.95 6.16 0.00 0.57 0.34 119.26 125.99 2jwu h ALA 26 Ca 0.04 0.09 0.22 0.00 0.00 0.00 0.00 54.91 55.25 2jwu h ALA 26 Cb 0.92 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 19.11 2jwu h ALA 26 CO 0.08 -0.64 0.62 0.93 0.00 0.00 0.00 179.25 180.25 2jwu h GLU 27 N -0.21 0.42 0.08 0.00 5.08 0.10 1.43 114.58 121.48 2jwu h GLU 27 Ca 0.14 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2jwu h GLU 27 Cb 0.43 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2jwu h GLU 27 CO -0.39 0.28 -0.04 -0.22 -1.00 0.00 0.00 179.01 177.65 2jwu h LYS 28 N 0.44 -0.10 0.24 2.33 3.11 -0.12 -0.39 116.57 122.08 2jwu h LYS 28 Ca 0.51 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.35 2jwu h LYS 28 Cb 1.24 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.49 2jwu h LYS 28 CO -0.22 0.11 -0.11 -0.92 -2.81 0.00 0.00 179.45 175.49 2jwu h TYR 29 N -0.30 -0.30 -0.72 1.91 5.03 0.31 -2.73 116.97 120.18 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 0.25 0.10 -0.14 0.00 1.55 0.00 0.00 36.73 38.49 2jwu h TYR 29 CO -0.01 -0.18 -0.22 0.74 -1.32 0.00 0.00 178.16 177.17 2jwu h PHE 30 N -0.72 -0.52 -0.76 -3.82 0.04 0.17 0.16 116.94 111.49 2jwu h PHE 30 Ca -0.03 0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 2jwu h PHE 30 Cb 0.24 0.34 -0.04 0.00 2.20 0.00 0.00 35.95 38.70 2jwu h PHE 30 CO 0.03 -0.34 0.47 -0.22 -0.60 0.00 0.00 178.31 177.66 2jwu h LYS 31 N -0.03 1.03 0.00 1.51 3.64 -1.19 -1.31 116.57 120.22 2jwu h LYS 31 Ca 0.33 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 2jwu h LYS 31 Cb 0.55 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2jwu h LYS 31 CO -0.76 0.72 -0.09 -0.07 -2.27 0.00 0.00 179.45 176.98 2jwu h LEU 32 N 1.04 0.00 0.19 5.20 4.07 -0.44 -0.91 115.31 124.46 2jwu h LEU 32 Ca 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.23 2jwu h LEU 32 Cb -0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.69 2jwu h LEU 32 CO -0.05 0.09 -0.09 0.22 -1.08 0.00 0.00 178.44 177.52 2jwu h TYR 33 N 0.00 -0.24 -0.41 1.13 5.03 -0.00 -2.62 116.97 119.85 2jwu h TYR 33 Ca -0.00 -0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.39 2jwu h TYR 33 Cb 0.18 0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.51 2jwu h TYR 33 CO 0.00 0.01 0.29 0.00 -1.32 0.00 0.00 178.16 177.14 2jwu h ALA 34 N -0.81 2.16 -0.10 1.82 0.00 -1.20 1.00 119.26 122.13 2jwu h ALA 34 Ca -0.03 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 2jwu h ALA 34 Cb 0.36 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2jwu h ALA 34 CO 0.04 -0.26 -0.72 -0.97 0.00 0.00 0.00 179.25 177.35 2jwu h ASN 35 N 0.17 0.58 0.00 0.00 -0.73 -1.24 -2.93 115.58 111.43 2jwu h ASN 35 Ca 0.19 -0.37 -0.11 0.00 1.87 0.00 0.00 56.30 57.88 2jwu h ASN 35 Cb 0.53 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.94 2jwu h ASN 35 CO -0.03 1.12 -0.81 0.00 -0.37 0.00 0.00 177.43 177.34 2jwu h ALA 36 N 0.88 0.12 -1.09 1.57 0.00 -0.81 -3.43 119.26 116.50 2jwu h ALA 36 Ca -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2jwu h ALA 36 Cb 1.30 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2jwu h ALA 36 CO 0.13 0.55 0.00 1.17 0.00 0.00 0.00 179.25 181.10 2jwu n LYS 37 N -4.54 0.00 0.00 0.00 3.00 0.33 -4.90 118.16 112.05 2jwu n LYS 37 Ca -0.19 0.41 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 2jwu n LYS 37 Cb 0.45 -1.32 0.00 0.00 0.00 0.00 0.00 35.03 34.17 2jwu n LYS 37 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2jwu n THR 38 N -1.60 0.00 -3.62 3.15 -2.24 -1.11 -5.05 114.28 103.82 2jwu n THR 38 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 2jwu n THR 38 Cb 0.00 -0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 67.69 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 1.76 5.17 -0.32 2.28 0.11 -1.23 -4.24 120.40 123.94 2jwu s VAL 39 Ca 0.00 -0.60 -0.14 0.00 -2.93 0.00 0.00 61.98 58.31 2jwu s VAL 39 Cb 0.00 -3.84 -0.02 0.00 -1.53 0.00 0.00 36.38 30.99 2jwu s VAL 39 CO 0.00 -0.41 0.31 -0.70 -3.33 0.00 0.00 175.10 170.97 2jwu s GLU 40 N -4.02 3.71 0.00 1.54 2.56 -1.26 -4.78 118.70 116.45 2jwu s GLU 40 Ca 0.38 -0.35 0.00 0.00 0.00 0.00 0.00 54.97 55.00 2jwu s GLU 40 Cb -0.10 -3.75 0.00 0.00 2.00 0.00 0.00 34.13 32.28 2jwu s GLU 40 CO 0.32 -0.40 0.00 0.41 -0.56 0.00 0.00 175.26 175.03 2jwu n GLY 41 N 4.95 5.43 3.76 -1.50 0.00 -1.23 -4.96 105.19 111.64 2jwu n GLY 41 Ca -0.10 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 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 2.66 2.14 -0.12 1.61 0.11 0.28 -4.68 120.40 122.40 2jwu s VAL 42 Ca 0.00 0.13 -0.02 0.00 -2.93 0.00 0.00 61.98 59.16 2jwu s VAL 42 Cb 0.00 -3.08 -0.03 0.00 -1.53 0.00 0.00 36.38 31.74 2jwu s VAL 42 CO 0.00 0.02 -0.05 0.26 -3.33 0.00 0.00 175.10 172.00 2jwu s TRP 43 N -0.46 2.99 -0.20 1.54 0.52 -1.26 -0.25 118.94 121.81 2jwu s TRP 43 Ca 0.58 -0.21 -0.04 0.00 0.02 0.00 0.00 56.10 56.45 2jwu s TRP 43 Cb -0.46 -1.87 0.07 0.00 -1.15 0.00 0.00 33.47 30.05 2jwu s TRP 43 CO 0.53 0.08 0.08 0.99 0.02 0.00 0.00 176.95 178.65 2jwu s THR 44 N -0.04 0.15 0.22 2.01 2.01 0.29 -4.94 115.64 115.34 2jwu s THR 44 Ca 0.01 -0.42 -0.12 0.00 0.31 0.00 0.00 61.69 61.47 2jwu s THR 44 Cb -0.13 -0.82 -0.07 0.00 0.01 0.00 0.00 72.50 71.49 2jwu s THR 44 CO 0.03 -0.33 0.58 -0.47 -0.69 0.00 0.00 174.62 173.74 2jwu s TYR 45 N 2.02 3.47 -0.17 4.92 5.04 -1.26 0.12 117.35 131.50 2jwu s TYR 45 Ca 0.02 0.99 0.01 0.00 -2.44 0.00 0.00 57.07 55.65 2jwu s TYR 45 Cb -0.16 -2.34 0.01 0.00 0.35 0.00 0.00 41.96 39.82 2jwu s TYR 45 CO -0.13 0.29 -0.20 0.15 -1.34 0.00 0.00 175.55 174.32 2jwu s LYS 46 N -2.58 3.03 -0.47 4.97 -0.14 0.19 -4.92 119.74 119.81 2jwu s LYS 46 Ca 0.46 -0.83 0.00 0.00 -1.36 0.00 0.00 55.97 54.24 2jwu s LYS 46 Cb -0.12 -2.54 0.41 0.00 -1.68 0.00 0.00 37.83 33.90 2jwu s LYS 46 CO 0.20 -0.13 1.93 -0.40 -0.76 0.00 0.00 175.35 176.19 2jwu n ASP 47 N 4.40 5.98 -0.07 2.83 5.68 -1.26 -2.42 116.55 131.69 2jwu n ASP 47 Ca -0.20 -3.42 -0.06 0.00 -0.50 0.00 0.00 54.79 50.60 2jwu n ASP 47 Cb 0.51 -0.93 -0.16 0.00 -1.14 0.00 0.00 41.12 39.40 2jwu n ASP 47 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2jwu n GLU 48 N -0.54 0.68 -1.50 0.11 1.02 -1.26 -4.79 120.64 114.35 2jwu n GLU 48 Ca 0.49 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.62 2jwu n GLU 48 Cb 0.90 -1.56 0.02 0.00 -0.02 0.00 0.00 31.44 30.78 2jwu n GLU 48 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2jwu n THR 49 N -2.71 0.00 -2.89 2.62 5.66 -1.26 -5.05 114.28 110.65 2jwu n THR 49 Ca -0.26 -0.21 -0.05 0.00 -3.05 0.00 0.00 64.05 60.48 2jwu n THR 49 Cb 1.05 0.50 0.01 0.00 -1.55 0.00 0.00 70.33 70.34 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 -0.33 -2.00 -3.72 1.09 4.01 -1.23 -4.77 118.16 111.22 2jwu n LYS 50 Ca -0.06 1.89 -0.18 0.00 -0.51 0.00 0.00 58.31 59.46 2jwu n LYS 50 Cb 0.55 -5.63 -0.17 0.00 -0.51 0.00 0.00 35.03 29.26 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 -2.72 -0.09 0.17 -0.18 2.01 -1.02 -2.40 115.64 111.42 2jwu s THR 51 Ca 0.16 0.33 -0.06 0.00 0.31 0.00 0.00 61.69 62.43 2jwu s THR 51 Cb -0.05 -0.13 -0.06 0.00 0.01 0.00 0.00 72.50 72.28 2jwu s THR 51 CO 0.75 0.14 0.43 -0.36 -0.69 0.00 0.00 174.62 174.89 2jwu s PHE 52 N 1.67 3.46 -0.33 4.92 0.40 0.24 0.55 117.98 128.90 2jwu s PHE 52 Ca -0.02 0.65 -0.00 0.00 -0.60 0.00 0.00 56.93 56.96 2jwu s PHE 52 Cb -0.12 -2.08 0.13 0.00 0.51 0.00 0.00 43.02 41.46 2jwu s PHE 52 CO -0.03 0.38 0.26 0.99 0.70 0.00 0.00 175.22 177.51 2jwu s THR 53 N -1.72 -0.16 -0.06 0.64 2.01 0.32 -2.13 115.64 114.54 2jwu s THR 53 Ca 0.43 -1.02 0.04 0.00 0.31 0.00 0.00 61.69 61.45 2jwu s THR 53 Cb -0.12 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 2jwu s THR 53 CO 0.24 -0.70 -0.18 0.54 -0.69 0.00 0.00 174.62 173.82 2jwu s VAL 54 N 1.70 2.67 0.20 3.82 0.11 -1.01 0.11 120.40 127.99 2jwu s VAL 54 Ca 0.14 -0.86 -0.02 0.00 -2.93 0.00 0.00 61.98 58.31 2jwu s VAL 54 Cb -0.17 -2.02 -0.04 0.00 -1.53 0.00 0.00 36.38 32.62 2jwu s VAL 54 CO -0.16 0.58 0.16 0.28 -3.33 0.00 0.00 175.10 172.62 2jwu s THR 55 N -0.44 0.01 -2.35 5.04 -1.32 0.65 -2.42 115.64 114.81 2jwu s THR 55 Ca 0.05 -1.93 0.19 0.00 -1.21 0.00 0.00 61.69 58.79 2jwu s THR 55 Cb -0.12 -2.42 0.15 0.00 -1.51 0.00 0.00 72.50 68.60 2jwu s THR 55 CO 0.02 -0.05 1.10 1.21 -2.21 0.00 0.00 174.62 174.68