#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 2.17 -0.19 12.58 2.01 -1.26 -0.21 115.64 130.74 2jwu s THR 2 Ca 0.00 -1.12 -0.06 0.00 0.31 0.00 0.00 61.69 60.83 2jwu s THR 2 Cb 0.00 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 2jwu s THR 2 CO 0.00 0.37 0.02 -0.31 -0.69 0.00 0.00 174.62 174.01 2jwu s TYR 3 N 1.25 3.10 -0.08 4.92 2.02 0.41 -4.63 117.35 124.34 2jwu s TYR 3 Ca 0.01 -0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 2jwu s TYR 3 Cb -0.15 -2.06 -0.02 0.00 -0.40 0.00 0.00 41.96 39.32 2jwu s TYR 3 CO -0.10 -0.07 -0.11 0.21 -1.57 0.00 0.00 175.55 173.91 2jwu s LYS 4 N 0.69 2.84 -0.02 -0.62 2.36 -0.99 0.12 119.74 124.11 2jwu s LYS 4 Ca 0.01 -0.64 0.03 0.00 -2.55 0.00 0.00 55.97 52.82 2jwu s LYS 4 Cb -0.14 -2.53 0.00 0.00 -1.05 0.00 0.00 37.83 34.11 2jwu s LYS 4 CO 0.02 0.53 -0.10 -1.17 1.55 0.00 0.00 175.35 176.18 2jwu s LEU 5 N -0.46 1.83 -0.07 5.43 2.96 -0.79 0.36 118.68 127.95 2jwu s LEU 5 Ca 0.06 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 2jwu s LEU 5 Cb -0.12 -0.58 0.03 0.00 0.50 0.00 0.00 46.19 46.02 2jwu s LEU 5 CO 0.02 0.08 -0.02 0.27 -1.32 0.00 0.00 176.35 175.39 2jwu s ILE 6 N 0.11 0.46 -0.10 6.68 -4.36 -0.82 -1.22 121.20 121.95 2jwu s ILE 6 Ca -0.02 0.03 0.01 0.00 -0.26 0.00 0.00 60.65 60.41 2jwu s ILE 6 Cb -0.08 -0.57 -0.02 0.00 1.25 0.00 0.00 42.46 43.04 2jwu s ILE 6 CO 0.00 0.26 -0.11 -0.76 0.24 0.00 0.00 174.94 174.56 2jwu s LEU 7 N 1.66 2.85 -0.12 0.37 1.02 -0.09 -2.38 118.68 121.98 2jwu s LEU 7 Ca 0.00 -0.23 0.02 0.00 0.02 0.00 0.00 54.13 53.95 2jwu s LEU 7 Cb -0.13 -1.63 0.01 0.00 0.02 0.00 0.00 46.19 44.47 2jwu s LEU 7 CO -0.04 0.24 -0.19 0.20 0.02 0.00 0.00 176.35 176.58 2jwu s ASN 8 N -0.10 2.78 0.50 2.29 0.01 -1.05 -1.61 114.94 117.76 2jwu s ASN 8 Ca -0.01 -0.52 0.00 0.00 -0.71 0.00 0.00 52.86 51.63 2jwu s ASN 8 Cb -0.14 -1.27 0.00 0.00 0.41 0.00 0.00 41.25 40.26 2jwu s ASN 8 CO 0.03 0.05 0.02 0.18 -1.51 0.00 0.00 177.10 175.88 2jwu n LEU 9 N 4.11 0.00 0.01 0.60 4.77 -1.07 -1.43 117.00 123.99 2jwu n LEU 9 Ca -0.19 -3.07 0.12 0.00 -0.03 0.00 0.00 56.01 52.83 2jwu n LEU 9 Cb 0.51 0.32 0.25 0.00 -2.33 0.00 0.00 43.42 42.18 2jwu n LEU 9 CO 0.25 -0.45 0.45 0.29 -1.33 0.00 0.00 177.39 176.61 2jwu n LYS 10 N -1.26 0.07 -0.06 3.23 4.76 -1.26 -4.17 118.16 119.47 2jwu n LYS 10 Ca -0.19 0.02 -0.06 0.00 -2.87 0.00 0.00 58.31 55.20 2jwu n LYS 10 Cb 0.62 -1.54 -0.07 0.00 -1.84 0.00 0.00 35.03 32.20 2jwu n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jwu n GLN 11 N -1.64 1.70 -3.59 1.97 10.64 -1.26 -5.06 117.38 120.13 2jwu n GLN 11 Ca 0.05 0.02 -0.12 0.00 -1.83 0.00 0.00 57.00 55.12 2jwu n GLN 11 Cb 0.36 -1.26 -0.06 0.00 -0.86 0.00 0.00 30.24 28.42 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 -2.25 -1.89 -0.17 2.61 0.00 -1.26 -5.15 121.76 113.65 2jwu s ALA 12 Ca -0.09 1.70 -0.00 0.00 0.00 0.00 0.00 51.96 53.56 2jwu s ALA 12 Cb 0.03 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.28 2jwu s ALA 12 CO 0.38 -0.30 -0.14 0.15 0.00 0.00 0.00 175.76 175.85 2jwu s LYS 13 N -0.46 3.21 0.16 0.00 1.02 -1.26 -2.60 119.74 119.80 2jwu s LYS 13 Ca -0.02 -0.74 0.10 0.00 0.02 0.00 0.00 55.97 55.33 2jwu s LYS 13 Cb -0.03 -2.69 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 2jwu s LYS 13 CO 0.01 -0.06 -0.22 -1.21 -0.92 0.00 0.00 175.35 172.95 2jwu s GLU 14 N 1.01 1.34 0.06 1.68 0.41 -0.63 -5.00 118.70 117.57 2jwu s GLU 14 Ca -0.01 -1.39 -0.07 0.00 -0.41 0.00 0.00 54.97 53.08 2jwu s GLU 14 Cb -0.15 -1.58 -0.01 0.00 -1.78 0.00 0.00 34.13 30.62 2jwu s GLU 14 CO -0.03 0.34 0.14 -1.83 -0.49 0.00 0.00 175.26 173.39 2jwu s GLU 15 N -2.49 0.72 0.27 1.61 -1.05 -1.26 -0.91 118.70 115.58 2jwu s GLU 15 Ca 0.15 -0.86 -0.15 0.00 -0.15 0.00 0.00 54.97 53.96 2jwu s GLU 15 Cb -0.08 0.29 0.01 0.00 -0.44 0.00 0.00 34.13 33.91 2jwu s GLU 15 CO 0.07 -0.20 0.58 0.00 0.95 0.00 0.00 175.26 176.66 2jwu s ALA 16 N -3.25 -0.53 -0.05 -0.84 0.00 -0.36 -5.02 121.76 111.70 2jwu s ALA 16 Ca 0.00 -0.72 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 2jwu s ALA 16 Cb 0.02 0.98 0.02 0.00 0.00 0.00 0.00 23.12 24.15 2jwu s ALA 16 CO -0.08 -0.92 -0.02 -1.50 0.00 0.00 0.00 175.76 173.24 2jwu s ILE 17 N -3.82 0.44 0.43 0.00 1.10 -1.26 -1.88 121.20 116.20 2jwu s ILE 17 Ca 0.19 -0.00 0.05 0.00 -0.51 0.00 0.00 60.65 60.37 2jwu s ILE 17 Cb -0.03 -0.53 -0.06 0.00 0.15 0.00 0.00 42.46 42.00 2jwu s ILE 17 CO 0.09 0.23 0.02 -0.54 -2.11 0.00 0.00 174.94 172.63 2jwu s LYS 18 N 1.37 1.98 -0.07 3.50 -0.14 0.32 -4.99 119.74 121.71 2jwu s LYS 18 Ca -0.04 -2.16 0.03 0.00 -1.36 0.00 0.00 55.97 52.44 2jwu s LYS 18 Cb -0.13 -1.48 0.00 0.00 -1.68 0.00 0.00 37.83 34.54 2jwu s LYS 18 CO -0.02 -0.16 -0.17 -1.83 -0.76 0.00 0.00 175.35 172.40 2jwu s GLU 19 N -3.77 2.11 0.00 1.68 -1.05 -1.26 0.15 118.70 116.56 2jwu s GLU 19 Ca 0.27 -0.60 0.00 0.00 -0.15 0.00 0.00 54.97 54.49 2jwu s GLU 19 Cb 0.07 -1.71 0.00 0.00 -0.44 0.00 0.00 34.13 32.06 2jwu s GLU 19 CO 0.14 0.13 0.00 1.28 0.95 0.00 0.00 175.26 177.76 2jwu n LEU 20 N 3.54 0.00 0.00 1.83 7.99 0.71 -4.83 117.00 126.23 2jwu n LEU 20 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.80 2jwu n LEU 20 Cb 0.52 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 2jwu n LEU 20 CO 0.26 0.00 -0.36 0.55 -1.51 0.00 0.00 177.39 176.33 2jwu n VAL 21 N 0.00 0.00 -5.09 4.08 3.14 -1.26 0.07 118.33 119.27 2jwu n VAL 21 Ca 0.00 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.10 2jwu n VAL 21 Cb 0.00 -0.83 -0.16 0.00 -1.06 0.00 0.00 33.84 31.79 2jwu n VAL 21 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 2jwu s ASP 22 N -4.41 2.65 0.56 6.55 1.01 -1.26 -4.33 116.67 117.44 2jwu s ASP 22 Ca 0.00 -0.42 0.23 0.00 0.71 0.00 0.00 52.55 53.08 2jwu s ASP 22 Cb 0.00 -0.29 1.57 0.00 1.01 0.00 0.00 42.92 45.21 2jwu s ASP 22 CO 0.00 0.27 2.20 0.00 0.21 0.00 0.00 175.17 177.86 2jwu h ALA 23 N 5.52 1.75 -0.25 5.23 0.00 -1.97 -1.28 119.26 128.26 2jwu h ALA 23 Ca -0.41 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.56 2jwu h ALA 23 Cb 1.13 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 2jwu h ALA 23 CO 0.47 -0.01 -0.09 0.00 0.00 0.00 0.00 179.25 179.62 2jwu h ALA 24 N 1.99 0.13 -0.15 0.00 0.00 -1.98 1.04 119.26 120.29 2jwu h ALA 24 Ca 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2jwu h ALA 24 Cb 0.02 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jwu h ALA 24 CO -0.00 -0.50 -0.32 1.15 0.00 0.00 0.00 179.25 179.59 2jwu h THR 25 N -0.05 1.36 -0.27 0.00 2.02 -1.81 -2.80 112.91 111.36 2jwu h THR 25 Ca 0.13 -1.58 0.06 0.00 0.77 0.00 0.00 66.41 65.79 2jwu h THR 25 Cb 0.24 2.00 -0.07 0.00 -1.74 0.00 0.00 68.15 68.59 2jwu h THR 25 CO -0.29 0.47 -0.17 0.00 0.37 0.00 0.00 175.52 175.90 2jwu h ALA 26 N 0.55 0.02 -0.96 6.16 0.00 -0.72 0.27 119.26 124.58 2jwu h ALA 26 Ca 0.00 0.10 0.22 0.00 0.00 0.00 0.00 54.91 55.23 2jwu h ALA 26 Cb 0.91 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 2jwu h ALA 26 CO 0.07 -0.58 0.63 1.49 0.00 0.00 0.00 179.25 180.86 2jwu h GLU 27 N -0.15 0.41 -0.04 0.00 4.22 0.11 1.65 114.58 120.78 2jwu h GLU 27 Ca 0.15 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.55 2jwu h GLU 27 Cb 0.38 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2jwu h GLU 27 CO -0.37 0.27 -0.01 0.87 -2.18 0.00 0.00 179.01 177.60 2jwu h LYS 28 N 0.42 0.08 0.31 1.92 1.79 -0.26 -1.24 116.57 119.60 2jwu h LYS 28 Ca 0.51 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.94 2jwu h LYS 28 Cb 1.27 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2jwu h LYS 28 CO -0.22 0.42 -0.15 -0.92 -1.08 0.00 0.00 179.45 177.50 2jwu h TYR 29 N -0.27 -0.39 -0.67 -1.35 5.03 0.44 -2.70 116.97 117.06 2jwu h TYR 29 Ca 0.01 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.45 2jwu h TYR 29 Cb 0.39 0.13 -0.11 0.00 1.55 0.00 0.00 36.73 38.69 2jwu h TYR 29 CO 0.05 -0.24 0.07 0.74 -1.32 0.00 0.00 178.16 177.46 2jwu h PHE 30 N -1.01 0.09 -0.76 -3.82 0.04 0.22 0.20 116.94 111.90 2jwu h PHE 30 Ca -0.04 0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 2jwu h PHE 30 Cb 0.32 0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 2jwu h PHE 30 CO 0.01 -0.13 0.25 -0.22 -0.60 0.00 0.00 178.31 177.61 2jwu h LYS 31 N 0.18 1.17 -0.03 1.51 3.11 -1.34 -0.80 116.57 120.37 2jwu h LYS 31 Ca 0.36 -0.24 -0.01 0.00 -2.81 0.00 0.00 60.65 57.94 2jwu h LYS 31 Cb 0.60 -0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 31.65 2jwu h LYS 31 CO -0.52 0.98 -0.04 1.25 -2.81 0.00 0.00 179.45 178.30 2jwu h LEU 32 N 1.12 0.03 0.00 5.20 7.12 -0.66 0.63 115.31 128.76 2jwu h LEU 32 Ca 0.25 -0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.25 2jwu h LEU 32 Cb 0.29 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 2jwu h LEU 32 CO -0.01 0.08 -0.02 0.22 -0.13 0.00 0.00 178.44 178.58 2jwu h TYR 33 N 0.04 0.02 -0.08 1.25 5.03 -0.56 -2.17 116.97 120.49 2jwu h TYR 33 Ca 0.01 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.22 2jwu h TYR 33 Cb 0.10 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.37 2jwu h TYR 33 CO 0.00 0.93 -0.35 0.00 -1.32 0.00 0.00 178.16 177.42 2jwu h ALA 34 N 0.08 1.27 0.00 1.82 0.00 -0.90 0.60 119.26 122.13 2jwu h ALA 34 Ca -0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 2jwu h ALA 34 Cb 0.94 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2jwu h ALA 34 CO 0.00 0.51 -0.81 -0.97 0.00 0.00 0.00 179.25 177.99 2jwu h ASN 35 N 0.14 0.00 0.00 0.00 -1.24 0.16 -3.03 115.58 111.61 2jwu h ASN 35 Ca 0.02 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 56.83 2jwu h ASN 35 Cb 0.69 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.71 2jwu h ASN 35 CO 0.05 0.81 -1.27 0.00 -1.29 0.00 0.00 177.43 175.73 2jwu n ALA 36 N -2.31 0.77 0.13 1.57 0.00 -0.81 -4.66 120.51 115.20 2jwu n ALA 36 Ca 0.01 -0.59 -0.05 0.00 0.00 0.00 0.00 53.44 52.81 2jwu n ALA 36 Cb 0.85 -0.27 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.31 0.00 0.00 1.79 0.04 -3.47 116.57 113.62 2jwu h LYS 37 Ca -0.30 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 2jwu h LYS 37 Cb 1.14 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2jwu h LYS 37 CO -0.18 -0.21 0.00 0.25 -1.08 0.00 0.00 179.45 178.23 2jwu n THR 38 N -2.89 0.00 -4.06 -0.16 -2.24 -1.15 -5.06 114.28 98.72 2jwu n THR 38 Ca -0.04 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.52 2jwu n THR 38 Cb 0.13 -0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 67.98 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 1.88 4.75 -0.36 2.28 1.01 -1.23 -4.32 120.40 124.41 2jwu s VAL 39 Ca 0.00 -1.22 -0.14 0.00 0.00 0.00 0.00 61.98 60.62 2jwu s VAL 39 Cb 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2jwu s VAL 39 CO 0.00 -0.32 0.29 -1.61 0.00 0.00 0.00 175.10 173.46 2jwu s GLU 40 N -3.81 3.37 0.00 2.72 2.02 -1.26 -4.69 118.70 117.06 2jwu s GLU 40 Ca 0.33 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.63 2jwu s GLU 40 Cb -0.08 -3.85 0.00 0.00 0.10 0.00 0.00 34.13 30.29 2jwu s GLU 40 CO 0.26 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.41 2jwu n GLY 41 N 5.09 3.24 3.62 -1.39 0.00 -1.24 -4.94 105.19 109.57 2jwu n GLY 41 Ca -0.11 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 3.93 3.68 0.32 1.61 -7.23 0.89 -4.72 120.40 118.88 2jwu s VAL 42 Ca 0.00 0.75 -0.14 0.00 -1.81 0.00 0.00 61.98 60.78 2jwu s VAL 42 Cb 0.00 -3.76 -0.09 0.00 0.56 0.00 0.00 36.38 33.09 2jwu s VAL 42 CO 0.00 -0.38 0.73 0.26 -0.31 0.00 0.00 175.10 175.40 2jwu s TRP 43 N 5.57 3.38 -0.27 2.82 0.52 -1.26 -2.06 118.94 127.65 2jwu s TRP 43 Ca 0.72 1.18 -0.04 0.00 0.02 0.00 0.00 56.10 57.98 2jwu s TRP 43 Cb -0.23 -2.51 0.15 0.00 -1.15 0.00 0.00 33.47 29.73 2jwu s TRP 43 CO 0.30 0.09 0.52 0.99 0.02 0.00 0.00 176.95 178.87 2jwu s THR 44 N -2.01 -0.84 0.16 2.01 2.01 0.54 -4.94 115.64 112.58 2jwu s THR 44 Ca 0.54 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.49 2jwu s THR 44 Cb -0.10 -0.89 -0.06 0.00 0.01 0.00 0.00 72.50 71.46 2jwu s THR 44 CO 0.19 -0.02 0.41 -0.47 -0.69 0.00 0.00 174.62 174.03 2jwu s TYR 45 N 2.74 3.47 -0.13 4.92 5.04 -1.26 0.81 117.35 132.94 2jwu s TYR 45 Ca 0.10 0.59 0.03 0.00 -2.44 0.00 0.00 57.07 55.34 2jwu s TYR 45 Cb -0.14 -2.03 0.01 0.00 0.35 0.00 0.00 41.96 40.15 2jwu s TYR 45 CO -0.18 0.40 -0.21 0.15 -1.34 0.00 0.00 175.55 174.37 2jwu s LYS 46 N -2.76 2.83 -0.29 4.97 3.01 0.13 -4.95 119.74 122.69 2jwu s LYS 46 Ca 0.42 -0.79 0.05 0.00 -1.01 0.00 0.00 55.97 54.64 2jwu s LYS 46 Cb -0.12 -2.28 0.52 0.00 -1.01 0.00 0.00 37.83 34.94 2jwu s LYS 46 CO 0.25 0.00 1.60 -0.25 0.51 0.00 0.00 175.35 177.46 2jwu n ASP 47 N 4.02 3.81 0.00 2.83 8.00 -1.26 -2.39 116.55 131.55 2jwu n ASP 47 Ca -0.20 -3.04 -0.16 0.00 0.71 0.00 0.00 54.79 52.10 2jwu n ASP 47 Cb 0.52 -0.72 -0.14 0.00 -0.02 0.00 0.00 41.12 40.76 2jwu n ASP 47 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2jwu h GLU 48 N 1.33 0.17 0.00 -1.24 4.39 -1.94 -3.43 114.58 113.85 2jwu h GLU 48 Ca 0.34 -0.29 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 2jwu h GLU 48 Cb 2.16 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 30.82 2jwu h GLU 48 CO 0.69 0.94 -0.20 2.41 -1.16 0.00 0.00 179.01 181.69 2jwu n THR 49 N -3.32 0.00 -2.76 1.13 -1.04 -1.26 -5.06 114.28 101.97 2jwu n THR 49 Ca -0.25 -0.43 -0.06 0.00 -2.04 0.00 0.00 64.05 61.28 2jwu n THR 49 Cb 1.05 0.66 0.01 0.00 -1.82 0.00 0.00 70.33 70.22 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 -0.66 -2.55 -3.94 -2.82 4.01 -1.21 -4.71 118.16 106.28 2jwu n LYS 50 Ca -0.16 2.22 -0.14 0.00 -0.51 0.00 0.00 58.31 59.72 2jwu n LYS 50 Cb 0.70 -5.45 -0.15 0.00 -0.51 0.00 0.00 35.03 29.62 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 -2.31 0.12 -0.10 -0.18 2.01 -1.01 -2.35 115.64 111.82 2jwu s THR 51 Ca 0.18 -0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.15 2jwu s THR 51 Cb -0.05 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.30 2jwu s THR 51 CO 0.74 0.06 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.32 2jwu s PHE 52 N 0.23 3.00 -0.14 4.92 0.40 0.16 0.20 117.98 126.75 2jwu s PHE 52 Ca -0.02 -0.07 -0.01 0.00 -0.60 0.00 0.00 56.93 56.23 2jwu s PHE 52 Cb -0.04 -1.81 0.04 0.00 0.51 0.00 0.00 43.02 41.72 2jwu s PHE 52 CO -0.01 0.22 -0.03 0.99 0.70 0.00 0.00 175.22 177.09 2jwu s THR 53 N -0.39 0.80 -0.02 0.64 2.01 0.24 -1.95 115.64 116.98 2jwu s THR 53 Ca 0.06 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.70 2jwu s THR 53 Cb -0.12 -1.01 0.01 0.00 0.01 0.00 0.00 72.50 71.38 2jwu s THR 53 CO 0.02 0.13 -0.04 0.54 -0.69 0.00 0.00 174.62 174.58 2jwu s VAL 54 N 1.77 0.43 0.03 3.82 0.11 -1.00 0.20 120.40 125.76 2jwu s VAL 54 Ca 0.02 -0.15 -0.02 0.00 -2.93 0.00 0.00 61.98 58.90 2jwu s VAL 54 Cb -0.14 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.27 2jwu s VAL 54 CO -0.07 0.16 0.01 0.28 -3.33 0.00 0.00 175.10 172.14 2jwu s THR 55 N 0.35 0.15 -2.88 5.04 -1.32 -0.87 -2.51 115.64 113.59 2jwu s THR 55 Ca -0.04 -1.25 0.25 0.00 -1.21 0.00 0.00 61.69 59.44 2jwu s THR 55 Cb -0.08 -0.85 0.28 0.00 -1.51 0.00 0.00 72.50 70.34 2jwu s THR 55 CO -0.00 -0.69 1.38 1.21 -2.21 0.00 0.00 174.62 174.30