#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wee s SER 2 N 0.00 6.53 -0.48 1.61 0.01 -1.26 -4.82 113.70 115.29 1wee s SER 2 Ca 0.00 2.58 -0.45 0.00 1.31 0.00 0.00 55.95 59.39 1wee s SER 2 Cb 0.00 -2.56 -0.19 0.00 0.21 0.00 0.00 66.02 63.48 1wee s SER 2 CO 0.00 -0.95 1.66 -0.24 0.41 0.00 0.00 173.24 174.12 1wee n SER 3 N 5.93 1.07 -3.38 2.44 2.88 -1.26 -4.89 113.62 116.42 1wee n SER 3 Ca 0.17 1.04 -0.26 0.00 -1.33 0.00 0.00 58.87 58.49 1wee n SER 3 Cb 0.40 -0.85 -0.10 0.00 -0.75 0.00 0.00 64.21 62.91 1wee n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wee s GLY 4 N 3.53 1.01 0.27 0.46 0.00 -1.26 -5.13 107.32 106.20 1wee s GLY 4 Ca 1.05 -2.24 0.08 0.00 0.00 0.00 0.00 44.72 43.61 1wee s GLY 4 CO 0.76 2.20 0.17 -0.56 0.00 0.00 0.00 173.10 175.67 1wee s SER 5 N 0.29 5.26 -0.15 1.64 0.01 -1.26 -5.04 113.70 114.45 1wee s SER 5 Ca 0.30 -0.39 -0.31 0.00 1.31 0.00 0.00 55.95 56.86 1wee s SER 5 Cb -0.01 -1.20 -0.08 0.00 0.21 0.00 0.00 66.02 64.94 1wee s SER 5 CO -0.16 -0.10 2.09 -1.20 0.41 0.00 0.00 173.24 174.29 1wee n SER 6 N -1.16 3.37 0.00 2.44 7.64 -1.26 -4.95 113.62 119.70 1wee n SER 6 Ca -0.06 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1wee n SER 6 Cb 0.59 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1wee n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wee n GLY 7 N 5.32 0.13 2.34 0.23 0.00 -1.26 -4.88 105.19 107.06 1wee n GLY 7 Ca 0.28 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1wee n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wee n MET 8 N 0.00 3.07 -3.02 1.61 -0.00 -1.26 -4.99 117.12 112.53 1wee n MET 8 Ca 0.00 -3.73 -0.41 0.00 -0.00 0.00 0.00 57.70 53.55 1wee n MET 8 Cb 0.00 -2.28 -0.06 0.00 -0.00 0.00 0.00 33.22 30.88 1wee n MET 8 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1wee s GLU 9 N -3.77 3.94 -0.19 3.17 2.56 -1.26 -4.94 118.70 118.21 1wee s GLU 9 Ca 0.57 0.46 -0.04 0.00 0.00 0.00 0.00 54.97 55.95 1wee s GLU 9 Cb 0.46 -3.73 -0.08 0.00 2.00 0.00 0.00 34.13 32.78 1wee s GLU 9 CO -0.08 -0.63 3.01 2.89 -0.56 0.00 0.00 175.26 179.89 1wee n ARG 10 N 6.05 2.02 0.00 4.30 0.00 -1.26 -4.91 116.66 122.86 1wee n ARG 10 Ca 0.02 -1.42 0.00 0.00 -0.00 0.00 0.00 57.85 56.45 1wee n ARG 10 Cb 0.48 -1.91 0.00 0.00 -0.00 0.00 0.00 32.46 31.03 1wee n ARG 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wee n GLY 11 N 1.63 -1.82 3.54 2.89 0.00 -1.26 -4.94 105.19 105.23 1wee n GLY 11 Ca 0.39 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 1wee n GLY 11 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wee n VAL 12 N -0.39 2.38 0.00 1.61 0.24 -1.26 -4.95 118.33 115.96 1wee n VAL 12 Ca 0.00 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.34 61.77 1wee n VAL 12 Cb 0.00 -0.89 -0.01 0.00 -1.47 0.00 0.00 33.84 31.47 1wee n VAL 12 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1wee n ASP 13 N 0.57 0.70 0.05 -1.34 5.68 -1.26 -4.84 116.55 116.11 1wee n ASP 13 Ca 0.11 0.10 -0.22 0.00 -0.50 0.00 0.00 54.79 54.28 1wee n ASP 13 Cb 0.42 -0.24 -0.15 0.00 -1.14 0.00 0.00 41.12 40.01 1wee n ASP 13 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1wee h ASN 14 N -0.14 0.54 -3.64 -1.12 4.21 -2.01 -3.44 115.58 109.98 1wee h ASN 14 Ca -0.06 -0.91 -0.56 0.00 1.21 0.00 0.00 56.30 55.98 1wee h ASN 14 Cb 0.67 -0.18 -0.07 0.00 -1.12 0.00 0.00 38.32 37.63 1wee h ASN 14 CO -0.03 1.72 0.93 0.26 -1.29 0.00 0.00 177.43 179.02 1wee s TRP 15 N -2.54 2.82 -0.18 1.19 0.52 -1.26 -4.89 118.94 114.61 1wee s TRP 15 Ca -0.17 0.77 0.01 0.00 0.02 0.00 0.00 56.10 56.72 1wee s TRP 15 Cb 0.05 -4.34 0.12 0.00 -1.15 0.00 0.00 33.47 28.15 1wee s TRP 15 CO 0.82 -1.27 1.11 1.17 0.02 0.00 0.00 176.95 178.80 1wee n LYS 16 N 7.75 1.28 -1.47 4.98 4.81 -1.24 -4.77 118.16 129.50 1wee n LYS 16 Ca 0.12 -0.54 -0.12 0.00 -0.87 0.00 0.00 58.31 56.91 1wee n LYS 16 Cb 0.49 -1.26 -0.10 0.00 0.02 0.00 0.00 35.03 34.18 1wee n LYS 16 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1wee n VAL 17 N 0.20 0.00 -4.34 3.15 3.14 -1.26 -4.02 118.33 115.19 1wee n VAL 17 Ca 0.10 -0.19 -0.27 0.00 -2.96 0.00 0.00 64.34 61.02 1wee n VAL 17 Cb 0.67 -1.57 -0.17 0.00 -1.06 0.00 0.00 33.84 31.72 1wee n VAL 17 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1wee s ASP 18 N 7.10 2.17 0.17 6.55 2.15 -1.24 -4.05 116.67 129.50 1wee s ASP 18 Ca 0.72 -0.36 0.10 0.00 0.43 0.00 0.00 52.55 53.44 1wee s ASP 18 Cb -0.09 -0.95 -0.04 0.00 -0.30 0.00 0.00 42.92 41.55 1wee s ASP 18 CO 0.16 -0.02 -0.21 0.00 -0.17 0.00 0.00 175.17 174.93 1wee h LYS 20 N 3.36 0.00 -0.76 0.00 -0.00 -1.98 -1.77 116.57 115.43 1wee h LYS 20 Ca -0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.19 1wee h LYS 20 Cb 1.20 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 33.40 1wee h LYS 20 CO 0.48 0.00 0.40 0.00 -0.00 0.00 0.00 179.45 180.33 1wee n GLY 22 N -1.06 1.32 3.64 0.00 0.00 -0.67 -5.12 105.19 103.31 1wee n GLY 22 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1wee n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wee s THR 23 N -1.32 5.03 -0.32 2.61 2.01 -1.25 -4.92 115.64 117.48 1wee s THR 23 Ca 0.00 1.05 0.22 0.00 0.31 0.00 0.00 61.69 63.27 1wee s THR 23 Cb 0.00 -3.89 -0.25 0.00 0.01 0.00 0.00 72.50 68.36 1wee s THR 23 CO 0.00 0.09 0.69 2.29 -0.69 0.00 0.00 174.62 177.00 1wee n LYS 24 N 5.36 0.47 -4.05 4.92 -0.00 -1.26 -3.23 118.16 120.37 1wee n LYS 24 Ca -0.02 -0.10 -0.10 0.00 -0.00 0.00 0.00 58.31 58.09 1wee n LYS 24 Cb 0.50 -1.56 -0.06 0.00 -0.00 0.00 0.00 35.03 33.91 1wee n LYS 24 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1wee s ASP 25 N -4.22 -0.03 -0.18 -5.58 2.15 -1.26 -4.49 116.67 103.07 1wee s ASP 25 Ca -0.02 -1.04 -0.31 0.00 0.43 0.00 0.00 52.55 51.61 1wee s ASP 25 Cb 0.14 0.53 -0.08 0.00 -0.30 0.00 0.00 42.92 43.22 1wee s ASP 25 CO 0.87 -1.06 2.12 -0.90 -0.17 0.00 0.00 175.17 176.03 1wee n ASP 26 N -0.35 3.24 -0.03 -0.34 5.68 -1.26 -4.88 116.55 118.61 1wee n ASP 26 Ca -0.01 0.48 -0.01 0.00 -0.50 0.00 0.00 54.79 54.75 1wee n ASP 26 Cb 0.63 -1.47 -0.00 0.00 -1.14 0.00 0.00 41.12 39.14 1wee n ASP 26 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1wee h ASP 27 N 12.93 0.00 0.00 -1.12 3.32 -1.99 -3.49 116.42 126.07 1wee h ASP 27 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1wee h ASP 27 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1wee h ASP 27 CO 0.97 0.28 0.00 0.61 -1.72 0.00 0.00 179.24 179.38 1wee n GLY 28 N 1.82 0.00 3.82 2.75 0.00 -1.26 -5.14 105.19 107.17 1wee n GLY 28 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1wee n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wee s GLU 29 N -0.33 3.70 0.52 1.61 8.01 -1.26 -5.00 118.70 125.96 1wee s GLU 29 Ca 0.00 1.11 -0.22 0.00 0.01 0.00 0.00 54.97 55.87 1wee s GLU 29 Cb 0.00 -2.09 -0.06 0.00 -4.31 0.00 0.00 34.13 27.67 1wee s GLU 29 CO 0.00 -0.49 1.30 -2.13 0.01 0.00 0.00 175.26 173.95 1wee n ARG 30 N -1.63 1.67 -3.97 1.61 3.00 -1.26 -4.97 116.66 111.11 1wee n ARG 30 Ca 0.08 0.61 -0.09 0.00 -0.00 0.00 0.00 57.85 58.45 1wee n ARG 30 Cb 0.53 -2.49 -0.11 0.00 0.00 0.00 0.00 32.46 30.40 1wee n ARG 30 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1wee s MET 31 N -2.72 0.39 -0.05 -0.14 -1.94 -1.26 -2.89 119.30 110.69 1wee s MET 31 Ca 0.70 -0.66 -0.00 0.00 -1.71 0.00 0.00 55.69 54.01 1wee s MET 31 Cb -0.44 0.14 0.03 0.00 2.01 0.00 0.00 34.83 36.57 1wee s MET 31 CO 0.51 -0.07 -0.00 -0.48 -0.01 0.00 0.00 175.02 174.96 1wee s LEU 32 N -1.66 0.94 0.09 -0.03 2.34 -1.22 -4.87 118.68 114.28 1wee s LEU 32 Ca -0.13 -0.06 -0.24 0.00 0.06 0.00 0.00 54.13 53.77 1wee s LEU 32 Cb -0.07 -0.33 -0.07 0.00 -0.56 0.00 0.00 46.19 45.16 1wee s LEU 32 CO -0.02 -0.13 0.72 0.00 -1.06 0.00 0.00 176.35 175.86 1wee s ALA 33 N 1.39 3.45 -0.41 1.48 0.00 -1.26 -2.41 121.76 124.00 1wee s ALA 33 Ca -0.04 0.24 -0.27 0.00 0.00 0.00 0.00 51.96 51.89 1wee s ALA 33 Cb -0.13 -2.89 -0.05 0.00 0.00 0.00 0.00 23.12 20.05 1wee s ALA 33 CO -0.02 0.23 2.24 0.00 0.00 0.00 0.00 175.76 178.20 1wee n ASP 35 N 13.86 0.20 0.00 0.00 2.03 -1.12 -0.54 116.55 130.98 1wee n ASP 35 Ca 0.32 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.71 1wee n ASP 35 Cb 0.51 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 1wee n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wee n GLY 36 N -1.28 -1.15 0.06 0.27 0.00 -1.26 -4.64 105.19 97.20 1wee n GLY 36 Ca 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.27 1wee n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wee n GLY 38 N 0.54 0.76 3.07 0.00 0.00 0.30 -4.94 105.19 104.92 1wee n GLY 38 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1wee n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wee s VAL 39 N -0.20 2.05 0.68 1.61 0.11 -1.26 -3.60 120.40 119.79 1wee s VAL 39 Ca 0.00 -1.35 -0.16 0.00 -2.93 0.00 0.00 61.98 57.54 1wee s VAL 39 Cb 0.00 -2.08 0.01 0.00 -1.53 0.00 0.00 36.38 32.78 1wee s VAL 39 CO 0.00 0.15 1.19 0.26 -3.33 0.00 0.00 175.10 173.37 1wee s TRP 40 N 1.20 2.24 -0.18 1.54 0.52 -1.26 -2.89 118.94 120.11 1wee s TRP 40 Ca -0.04 1.57 -0.13 0.00 0.02 0.00 0.00 56.10 57.52 1wee s TRP 40 Cb -0.18 -3.43 0.06 0.00 -1.15 0.00 0.00 33.47 28.77 1wee s TRP 40 CO -0.08 -2.36 0.46 -1.01 0.02 0.00 0.00 176.95 173.98 1wee s HIS 41 N -1.92 -0.61 -0.77 -1.98 3.76 -1.01 -3.73 115.29 109.02 1wee s HIS 41 Ca 0.74 1.35 -0.30 0.00 -0.15 0.00 0.00 55.06 56.70 1wee s HIS 41 Cb -0.28 0.26 -0.16 0.00 1.11 0.00 0.00 32.58 33.51 1wee s HIS 41 CO 0.41 -0.32 2.55 0.72 -0.85 0.00 0.00 174.74 177.25 1wee n HIS 42 N 3.68 0.94 -0.42 1.40 8.25 -1.26 -3.39 115.22 124.42 1wee n HIS 42 Ca -0.19 0.30 0.35 0.00 -0.26 0.00 0.00 57.72 57.93 1wee n HIS 42 Cb 0.56 -2.47 0.59 0.00 1.12 0.00 0.00 29.99 29.80 1wee n HIS 42 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1wee n THR 43 N 7.61 -0.21 -0.04 1.59 -2.24 -1.14 0.18 114.28 120.03 1wee n THR 43 Ca 0.55 1.56 -0.14 0.00 -2.27 0.00 0.00 64.05 63.74 1wee n THR 43 Cb 0.21 -2.56 -0.09 0.00 -2.10 0.00 0.00 70.33 65.79 1wee n THR 43 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1wee h ARG 44 N 0.00 0.34 -0.98 -0.78 0.11 -1.85 0.89 114.38 112.11 1wee h ARG 44 Ca 0.77 -0.24 0.17 0.00 0.10 0.00 0.00 59.98 60.78 1wee h ARG 44 Cb 2.50 0.04 -0.09 0.00 1.11 0.00 0.00 29.97 33.53 1wee h ARG 44 CO -0.39 0.85 0.61 0.00 0.10 0.00 0.00 179.97 181.14 1wee h ILE 46 N 0.76 1.46 0.00 0.00 3.07 -1.40 -3.48 117.51 117.93 1wee h ILE 46 Ca 0.53 -2.57 0.00 0.00 1.55 0.00 0.00 64.86 64.37 1wee h ILE 46 Cb 0.82 2.41 0.00 0.00 -0.27 0.00 0.00 36.82 39.78 1wee h ILE 46 CO -0.30 0.72 0.00 0.61 -1.05 0.00 0.00 178.15 178.13 1wee n GLY 47 N 0.73 3.62 1.77 0.16 0.00 0.42 -5.12 105.19 106.76 1wee n GLY 47 Ca -0.00 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 1wee n GLY 47 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wee n ILE 48 N 0.00 0.82 -3.75 -0.61 2.08 0.26 -4.78 119.36 113.38 1wee n ILE 48 Ca 0.00 -0.26 -0.34 0.00 0.56 0.00 0.00 62.75 62.71 1wee n ILE 48 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 38.84 1wee n ILE 48 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1wee s ASN 49 N -0.53 6.49 0.43 4.38 2.47 -1.26 -3.85 114.94 123.08 1wee s ASN 49 Ca 0.33 0.56 0.25 0.00 0.42 0.00 0.00 52.86 54.42 1wee s ASN 49 Cb -0.44 -2.09 1.28 0.00 -1.45 0.00 0.00 41.25 38.55 1wee s ASN 49 CO 0.31 0.22 1.71 -1.13 -3.72 0.00 0.00 177.10 174.49 1wee h ASN 50 N 3.78 0.32 0.09 -4.21 -0.73 -1.96 0.18 115.58 113.05 1wee h ASN 50 Ca -0.49 0.09 -0.17 0.00 1.87 0.00 0.00 56.30 57.61 1wee h ASN 50 Cb 1.19 0.05 0.01 0.00 0.27 0.00 0.00 38.32 39.84 1wee h ASN 50 CO 0.67 -0.03 -0.80 0.00 -0.37 0.00 0.00 177.43 176.91 1wee h ALA 51 N 1.58 0.02 -1.85 1.57 0.00 -2.01 -3.47 119.26 115.11 1wee h ALA 51 Ca 0.68 -0.78 -0.50 0.00 0.00 0.00 0.00 54.91 54.31 1wee h ALA 51 Cb 2.02 0.22 0.23 0.00 0.00 0.00 0.00 17.79 20.26 1wee h ALA 51 CO -0.31 0.42 -1.09 -3.47 0.00 0.00 0.00 179.25 174.80 1wee n ASP 52 N -4.22 -2.64 -4.41 0.00 2.03 0.05 -5.02 116.55 102.35 1wee n ASP 52 Ca -0.17 0.09 -0.17 0.00 0.52 0.00 0.00 54.79 55.06 1wee n ASP 52 Cb 0.75 -1.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.20 1wee n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wee n ALA 53 N -3.86 0.95 -2.25 -1.67 0.00 -1.26 -4.72 120.51 107.70 1wee n ALA 53 Ca 0.03 -1.75 -0.38 0.00 0.00 0.00 0.00 53.44 51.33 1wee n ALA 53 Cb 0.59 0.53 -0.06 0.00 0.00 0.00 0.00 19.45 20.52 1wee n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wee s LEU 54 N 0.00 4.52 -0.01 0.00 1.43 -1.26 -4.88 118.68 118.48 1wee s LEU 54 Ca 0.45 1.29 -0.30 0.00 -1.03 0.00 0.00 54.13 54.53 1wee s LEU 54 Cb -0.04 -2.96 -0.06 0.00 0.03 0.00 0.00 46.19 43.17 1wee s LEU 54 CO 0.29 0.26 1.46 -2.16 0.23 0.00 0.00 176.35 176.42 1wee s PRO 55 N -1.17 4.25 0.33 1.29 0.04 -1.26 -4.89 135.00 133.60 1wee s PRO 55 Ca 0.30 2.02 0.15 0.00 0.04 0.00 0.00 61.00 63.51 1wee s PRO 55 Cb -0.19 -3.65 1.12 0.00 0.04 0.00 0.00 34.50 31.82 1wee s PRO 55 CO 0.20 -0.64 1.49 0.43 0.04 0.00 0.00 177.00 178.51 1wee n SER 56 N 5.73 0.21 -3.89 6.66 7.64 -1.26 -4.31 113.62 124.40 1wee n SER 56 Ca 0.14 1.58 -0.13 0.00 1.01 0.00 0.00 58.87 61.47 1wee n SER 56 Cb 0.43 -0.71 -0.14 0.00 -1.01 0.00 0.00 64.21 62.78 1wee n SER 56 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1wee s LYS 57 N -5.58 0.12 0.02 1.43 -2.85 -1.26 -5.09 119.74 106.54 1wee s LYS 57 Ca -0.10 -0.05 0.01 0.00 -1.00 0.00 0.00 55.97 54.84 1wee s LYS 57 Cb 0.31 -0.12 -0.01 0.00 -2.06 0.00 0.00 37.83 35.94 1wee s LYS 57 CO 0.74 0.03 -0.04 0.12 0.10 0.00 0.00 175.35 176.29 1wee s PHE 58 N -0.01 0.37 -0.22 1.78 5.36 -1.26 -5.08 117.98 118.93 1wee s PHE 58 Ca 0.00 -0.33 -0.04 0.00 -0.96 0.00 0.00 56.93 55.60 1wee s PHE 58 Cb -0.01 -0.24 0.08 0.00 -0.34 0.00 0.00 43.02 42.51 1wee s PHE 58 CO -0.00 -0.08 0.10 -0.51 -1.46 0.00 0.00 175.22 173.27 1wee s LEU 59 N -0.93 0.53 0.65 6.12 1.43 -1.26 -2.78 118.68 122.44 1wee s LEU 59 Ca -0.07 -0.91 -0.17 0.00 -1.03 0.00 0.00 54.13 51.94 1wee s LEU 59 Cb -0.06 -0.33 -0.12 0.00 0.03 0.00 0.00 46.19 45.72 1wee s LEU 59 CO -0.00 -0.38 -0.01 0.00 0.23 0.00 0.00 176.35 176.19 1wee h PHE 61 N -0.24 -1.10 -0.89 0.00 0.04 -2.00 0.60 116.94 113.35 1wee h PHE 61 Ca -0.43 0.11 0.24 0.00 2.80 0.00 0.00 57.97 60.69 1wee h PHE 61 Cb 1.39 0.63 -0.15 0.00 2.20 0.00 0.00 35.95 40.02 1wee h PHE 61 CO 0.26 -0.40 0.17 0.00 -0.60 0.00 0.00 178.31 177.74 1wee h ARG 62 N -0.00 0.14 0.27 1.51 2.47 -2.00 -0.06 114.38 116.69 1wee h ARG 62 Ca 0.34 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 59.04 1wee h ARG 62 Cb 0.60 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1wee h ARG 62 CO -0.99 0.09 -0.13 0.00 0.56 0.00 0.00 179.97 179.51 1wee h ILE 64 N -0.59 0.13 0.20 0.00 2.04 -0.25 0.40 117.51 119.43 1wee h ILE 64 Ca -0.04 -0.05 -0.34 0.00 1.00 0.00 0.00 64.86 65.43 1wee h ILE 64 Cb 0.43 -0.02 0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1wee h ILE 64 CO 0.06 0.02 -1.67 -0.33 0.00 0.00 0.00 178.15 176.24 1wee h GLU 65 N 0.14 0.42 -0.83 2.37 4.39 -1.25 -3.34 114.58 116.48 1wee h GLU 65 Ca 0.80 -0.72 0.09 0.00 0.34 0.00 0.00 59.36 59.87 1wee h GLU 65 Cb 2.04 0.27 -0.07 0.00 -0.10 0.00 0.00 28.75 30.89 1wee h GLU 65 CO -0.68 1.35 0.48 1.25 -1.16 0.00 0.00 179.01 180.25 1wee h LEU 66 N 0.09 0.70 -9.63 1.33 5.85 0.24 -3.43 115.31 110.47 1wee h LEU 66 Ca -0.32 0.04 -0.50 0.00 0.84 0.00 0.00 57.88 57.94 1wee h LEU 66 Cb 2.10 -0.10 0.23 0.00 0.37 0.00 0.00 40.66 43.26 1wee h LEU 66 CO 0.19 0.41 -1.03 -1.54 -0.34 0.00 0.00 178.44 176.14 1wee n SER 67 N -4.72 -2.59 0.00 1.25 3.41 0.66 -5.03 113.62 106.59 1wee n SER 67 Ca 0.13 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1wee n SER 67 Cb 0.26 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1wee n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wee n GLY 68 N 2.01 5.34 3.55 5.00 0.00 -1.26 -5.03 105.19 114.79 1wee n GLY 68 Ca 0.03 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.71 1wee n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wee s PRO 69 N 1.96 2.61 0.49 1.61 0.04 -1.26 -4.96 135.00 135.50 1wee s PRO 69 Ca 0.00 0.53 0.04 0.00 0.04 0.00 0.00 61.00 61.61 1wee s PRO 69 Cb 0.00 -4.46 -0.01 0.00 0.04 0.00 0.00 34.50 30.07 1wee s PRO 69 CO 0.00 -2.80 0.13 -1.54 0.04 0.00 0.00 177.00 172.83 1wee s SER 70 N 8.14 4.28 -0.20 6.66 1.04 -1.26 -5.06 113.70 127.30 1wee s SER 70 Ca 0.68 -1.43 -0.38 0.00 0.48 0.00 0.00 55.95 55.30 1wee s SER 70 Cb -0.12 0.24 -0.14 0.00 0.10 0.00 0.00 66.02 66.09 1wee s SER 70 CO 0.19 -0.82 1.78 -0.24 0.98 0.00 0.00 173.24 175.12 1wee n SER 71 N -1.36 2.75 0.00 7.02 2.88 -1.26 -5.30 113.62 118.35 1wee n SER 71 Ca -0.10 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1wee n SER 71 Cb 0.66 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1wee n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42