#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 6.32 -0.10 1.61 0.15 -1.26 -5.00 113.70 115.41 1wee s SER 2 Ca 0.00 -2.39 -0.31 0.00 0.70 0.00 0.00 55.95 53.95 1wee s SER 2 Cb 0.00 -2.15 0.10 0.00 -1.71 0.00 0.00 66.02 62.26 1wee s SER 2 CO 0.00 -0.64 0.83 -0.55 1.20 0.00 0.00 173.24 174.09 1wee s SER 3 N 2.42 -0.52 0.00 5.45 0.15 -1.26 -5.12 113.70 114.82 1wee s SER 3 Ca 0.13 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1wee s SER 3 Cb -0.18 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1wee s SER 3 CO -0.04 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.53 1wee n GLY 4 N 0.83 -1.48 2.99 9.45 0.00 -1.26 -5.06 105.19 110.65 1wee n GLY 4 Ca -0.15 0.61 -0.32 0.00 0.00 0.00 0.00 46.02 46.17 1wee n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wee s SER 5 N -4.00 4.59 -0.21 1.61 1.04 -1.26 -5.05 113.70 110.43 1wee s SER 5 Ca 0.00 -3.03 -0.00 0.00 0.48 0.00 0.00 55.95 53.40 1wee s SER 5 Cb 0.00 -1.70 0.05 0.00 0.10 0.00 0.00 66.02 64.47 1wee s SER 5 CO 0.00 -0.26 -0.05 -0.55 0.98 0.00 0.00 173.24 173.37 1wee s SER 6 N -0.10 3.41 0.00 7.02 0.15 -1.26 -5.12 113.70 117.79 1wee s SER 6 Ca 0.17 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1wee s SER 6 Cb -0.23 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 1wee s SER 6 CO -0.02 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1wee n GLY 7 N 4.78 -2.48 3.55 9.45 0.00 -1.26 -4.96 105.19 114.27 1wee n GLY 7 Ca -0.12 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 1wee n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wee s MET 8 N 0.00 -0.43 -0.22 1.61 0.00 -1.26 -5.04 119.30 113.96 1wee s MET 8 Ca 0.00 0.86 -0.03 0.00 0.00 0.00 0.00 55.69 56.52 1wee s MET 8 Cb 0.00 -1.61 0.07 0.00 0.00 0.00 0.00 34.83 33.29 1wee s MET 8 CO 0.00 -3.40 0.08 -2.00 0.00 0.00 0.00 175.02 169.69 1wee s GLU 9 N -4.58 0.39 0.09 3.16 2.56 -1.26 -5.13 118.70 113.92 1wee s GLU 9 Ca 0.68 -0.42 -0.06 0.00 0.00 0.00 0.00 54.97 55.17 1wee s GLU 9 Cb -0.23 -1.82 -0.02 0.00 2.00 0.00 0.00 34.13 34.06 1wee s GLU 9 CO 0.62 -0.77 0.11 1.03 -0.56 0.00 0.00 175.26 175.70 1wee s ARG 10 N 1.96 0.80 0.00 4.30 0.52 -1.26 -5.13 118.95 120.14 1wee s ARG 10 Ca 0.03 -1.10 0.00 0.00 -0.52 0.00 0.00 55.73 54.14 1wee s ARG 10 Cb -0.17 0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.60 1wee s ARG 10 CO -0.16 -0.23 0.00 0.41 0.02 0.00 0.00 175.30 175.34 1wee n GLY 11 N -0.02 0.50 3.72 -3.53 0.00 -1.26 -5.10 105.19 99.50 1wee n GLY 11 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1wee n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wee s VAL 12 N 0.00 4.41 0.00 1.61 1.01 -1.26 -5.00 120.40 121.16 1wee s VAL 12 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1wee s VAL 12 Cb 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1wee s VAL 12 CO 0.00 0.44 0.00 -0.90 0.00 0.00 0.00 175.10 174.64 1wee n ASP 13 N 1.56 1.13 0.27 3.32 5.68 -1.26 -4.84 116.55 122.41 1wee n ASP 13 Ca -0.15 0.00 -0.16 0.00 -0.50 0.00 0.00 54.79 53.98 1wee n ASP 13 Cb 0.53 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.43 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 0.00 -0.55 -3.16 -1.12 4.21 -2.05 -3.38 115.58 109.54 1wee h ASN 14 Ca 0.00 0.00 -0.66 0.00 1.21 0.00 0.00 56.30 56.85 1wee h ASN 14 Cb 0.78 0.14 -0.16 0.00 -1.12 0.00 0.00 38.32 37.96 1wee h ASN 14 CO 0.00 -0.36 0.24 0.26 -1.29 0.00 0.00 177.43 176.27 1wee s TRP 15 N -5.95 2.94 -1.06 1.19 0.52 -1.26 -4.96 118.94 110.36 1wee s TRP 15 Ca -0.16 -0.43 -0.25 0.00 0.02 0.00 0.00 56.10 55.28 1wee s TRP 15 Cb 0.04 -3.79 -0.17 0.00 -1.15 0.00 0.00 33.47 28.40 1wee s TRP 15 CO 0.62 -1.19 1.99 1.63 0.02 0.00 0.00 176.95 180.02 1wee n LYS 16 N 6.67 0.88 -2.93 4.98 4.76 -1.26 -4.88 118.16 126.38 1wee n LYS 16 Ca -0.04 -2.05 -0.42 0.00 -2.87 0.00 0.00 58.31 52.94 1wee n LYS 16 Cb 0.46 -3.72 -0.05 0.00 -1.84 0.00 0.00 35.03 29.88 1wee n LYS 16 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1wee s VAL 17 N 13.26 4.84 -0.29 -0.18 1.01 -1.26 -1.23 120.40 136.54 1wee s VAL 17 Ca 0.74 1.43 -0.16 0.00 0.00 0.00 0.00 61.98 63.99 1wee s VAL 17 Cb -0.01 -4.10 0.15 0.00 0.00 0.00 0.00 36.38 32.41 1wee s VAL 17 CO 0.17 -0.11 0.97 -0.62 0.00 0.00 0.00 175.10 175.52 1wee s ASP 18 N 1.42 -0.52 0.01 3.32 -1.08 -1.15 -4.47 116.67 114.19 1wee s ASP 18 Ca 0.33 0.82 -0.00 0.00 -0.52 0.00 0.00 52.55 53.17 1wee s ASP 18 Cb -0.15 1.28 -0.01 0.00 -1.46 0.00 0.00 42.92 42.59 1wee s ASP 18 CO 0.09 -0.13 -0.00 0.00 0.52 0.00 0.00 175.17 175.65 1wee h LYS 20 N 5.46 0.30 -0.83 0.00 2.10 -1.97 0.28 116.57 121.92 1wee h LYS 20 Ca -0.28 -0.02 0.20 0.00 -2.00 0.00 0.00 60.65 58.56 1wee h LYS 20 Cb 1.21 -0.07 -0.14 0.00 -0.90 0.00 0.00 32.23 32.33 1wee h LYS 20 CO 0.46 0.20 0.06 0.00 -2.00 0.00 0.00 179.45 178.16 1wee n GLY 22 N -1.43 0.86 3.78 0.00 0.00 0.09 -5.15 105.19 103.33 1wee n GLY 22 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.01 4.58 0.00 2.61 2.01 -1.21 -5.00 115.64 117.62 1wee s THR 23 Ca 0.00 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.33 1wee s THR 23 Cb 0.00 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.33 1wee s THR 23 CO 0.00 0.19 0.00 2.29 -0.69 0.00 0.00 174.62 176.41 1wee n LYS 24 N 0.65 0.00 -4.59 4.92 2.85 -1.26 -3.31 118.16 117.42 1wee n LYS 24 Ca -0.10 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.85 1wee n LYS 24 Cb 0.52 -0.83 -0.06 0.00 -0.65 0.00 0.00 35.03 34.00 1wee n LYS 24 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1wee s ASP 25 N -3.95 4.22 -0.26 -5.58 -4.77 -1.26 -4.39 116.67 100.68 1wee s ASP 25 Ca 0.00 -1.56 -0.31 0.00 -3.30 0.00 0.00 52.55 47.38 1wee s ASP 25 Cb 0.00 0.46 -0.08 0.00 -1.09 0.00 0.00 42.92 42.21 1wee s ASP 25 CO 0.00 -0.88 2.20 -0.67 0.70 0.00 0.00 175.17 176.52 1wee n ASP 26 N -1.34 2.83 -0.07 2.11 2.03 -1.26 -4.85 116.55 116.00 1wee n ASP 26 Ca -0.15 0.32 -0.05 0.00 0.52 0.00 0.00 54.79 55.43 1wee n ASP 26 Cb 0.66 -1.44 -0.02 0.00 -0.72 0.00 0.00 41.12 39.61 1wee n ASP 26 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1wee h ASP 27 N 13.79 0.00 0.00 1.67 3.58 -2.01 -3.50 116.42 129.96 1wee h ASP 27 Ca -0.36 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1wee h ASP 27 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1wee h ASP 27 CO 0.98 0.74 0.00 0.61 -2.88 0.00 0.00 179.24 178.69 1wee n GLY 28 N 1.64 0.70 3.72 -0.78 0.00 -1.26 -5.13 105.19 104.07 1wee n GLY 28 Ca -0.07 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 4.49 0.47 1.61 8.01 -1.26 -4.96 118.70 127.06 1wee s GLU 29 Ca 0.00 1.74 -0.20 0.00 0.01 0.00 0.00 54.97 56.53 1wee s GLU 29 Cb 0.00 -3.32 -0.13 0.00 -4.31 0.00 0.00 34.13 26.36 1wee s GLU 29 CO 0.00 -0.13 0.19 -2.13 0.01 0.00 0.00 175.26 173.20 1wee n ARG 30 N 3.31 0.21 -3.94 1.61 0.63 -1.26 -4.77 116.66 112.44 1wee n ARG 30 Ca 0.06 0.08 -0.09 0.00 -0.92 0.00 0.00 57.85 56.98 1wee n ARG 30 Cb 0.46 -1.23 -0.08 0.00 0.45 0.00 0.00 32.46 32.06 1wee n ARG 30 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1wee s MET 31 N -1.32 0.89 -0.10 -0.14 -1.94 -1.26 -2.02 119.30 113.41 1wee s MET 31 Ca 0.61 -1.09 -0.07 0.00 -1.71 0.00 0.00 55.69 53.43 1wee s MET 31 Cb -0.55 0.32 0.04 0.00 2.01 0.00 0.00 34.83 36.65 1wee s MET 31 CO 0.61 -0.28 0.25 -0.48 -0.01 0.00 0.00 175.02 175.12 1wee s LEU 32 N -2.91 0.71 0.05 -0.03 2.34 -1.19 -4.87 118.68 112.78 1wee s LEU 32 Ca 0.10 0.53 -0.31 0.00 0.06 0.00 0.00 54.13 54.51 1wee s LEU 32 Cb 0.05 0.82 -0.07 0.00 -0.56 0.00 0.00 46.19 46.43 1wee s LEU 32 CO -0.07 -0.13 1.46 0.00 -1.06 0.00 0.00 176.35 176.55 1wee s ALA 33 N 0.70 3.61 -0.34 1.48 0.00 -1.25 -3.20 121.76 122.76 1wee s ALA 33 Ca -0.05 1.03 -0.28 0.00 0.00 0.00 0.00 51.96 52.66 1wee s ALA 33 Cb -0.06 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 1wee s ALA 33 CO -0.04 -0.86 1.86 0.00 0.00 0.00 0.00 175.76 176.71 1wee h ASP 35 N 13.35 0.44 0.03 0.00 1.82 -1.82 1.08 116.42 131.32 1wee h ASP 35 Ca -0.34 0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1wee h ASP 35 Cb 1.18 0.17 -0.00 0.00 0.68 0.00 0.00 39.33 41.35 1wee h ASP 35 CO 1.04 -0.22 -0.05 1.23 -1.61 0.00 0.00 179.24 179.62 1wee h GLY 36 N 0.22 -1.01 0.00 -0.78 0.00 -1.89 -3.40 103.07 96.21 1wee h GLY 36 Ca 0.77 0.44 -0.31 0.00 0.00 0.00 0.00 47.33 48.23 1wee h GLY 36 CO -0.63 -0.37 -1.99 0.00 0.00 0.00 0.00 176.54 173.54 1wee n GLY 38 N 1.56 0.38 3.17 0.00 0.00 0.36 -4.94 105.19 105.73 1wee n GLY 38 Ca -0.39 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.68 1wee n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wee s VAL 39 N 0.00 1.55 -0.11 1.61 1.01 -1.26 -4.41 120.40 118.79 1wee s VAL 39 Ca 0.00 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 60.91 1wee s VAL 39 Cb 0.00 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1wee s VAL 39 CO 0.00 0.44 0.88 0.26 0.00 0.00 0.00 175.10 176.68 1wee s TRP 40 N -0.14 3.50 0.02 5.22 0.52 -0.37 -1.06 118.94 126.64 1wee s TRP 40 Ca -0.00 1.41 0.05 0.00 0.02 0.00 0.00 56.10 57.58 1wee s TRP 40 Cb -0.11 -3.04 -0.02 0.00 -1.15 0.00 0.00 33.47 29.15 1wee s TRP 40 CO 0.01 -0.15 -0.15 -1.01 0.02 0.00 0.00 176.95 175.67 1wee s HIS 41 N 1.74 1.31 -0.85 -1.98 3.76 -1.19 -2.95 115.29 115.12 1wee s HIS 41 Ca 0.43 -0.31 -0.26 0.00 -0.15 0.00 0.00 55.06 54.77 1wee s HIS 41 Cb -0.18 -0.80 -0.13 0.00 1.11 0.00 0.00 32.58 32.58 1wee s HIS 41 CO 0.17 0.02 2.28 -1.01 -0.85 0.00 0.00 174.74 175.35 1wee s HIS 42 N -0.66 1.29 0.22 1.40 0.09 -1.26 -3.17 115.29 113.21 1wee s HIS 42 Ca 0.04 1.73 -0.08 0.00 -0.00 0.00 0.00 55.06 56.75 1wee s HIS 42 Cb -0.07 -3.55 0.34 0.00 -0.00 0.00 0.00 32.58 29.30 1wee s HIS 42 CO 0.01 -1.49 1.27 0.25 -0.00 0.00 0.00 174.74 174.78 1wee n THR 43 N 8.63 -0.36 -0.30 1.30 -2.24 -0.86 0.17 114.28 120.62 1wee n THR 43 Ca 0.45 1.88 0.13 0.00 -2.27 0.00 0.00 64.05 64.24 1wee n THR 43 Cb 0.44 -2.58 0.30 0.00 -2.10 0.00 0.00 70.33 66.39 1wee n THR 43 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1wee h ARG 44 N 0.00 0.28 0.09 -0.78 2.47 -1.78 0.20 114.38 114.87 1wee h ARG 44 Ca 0.37 -0.02 -0.25 0.00 -1.26 0.00 0.00 59.98 58.82 1wee h ARG 44 Cb 0.58 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1wee h ARG 44 CO -0.84 0.19 -1.15 0.00 0.56 0.00 0.00 179.97 178.73 1wee h ILE 46 N 0.09 0.37 0.00 0.00 2.04 0.17 -3.46 117.51 116.71 1wee h ILE 46 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1wee h ILE 46 Cb 1.86 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1wee h ILE 46 CO 0.19 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.95 1wee n GLY 47 N -1.40 0.00 2.87 5.37 0.00 -0.41 -5.08 105.19 106.53 1wee n GLY 47 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 1wee n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wee s ILE 48 N 0.00 0.55 -0.07 -0.61 1.01 -1.13 -5.06 121.20 115.90 1wee s ILE 48 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 60.65 60.42 1wee s ILE 48 Cb 0.00 -0.61 -0.05 0.00 0.01 0.00 0.00 42.46 41.81 1wee s ILE 48 CO 0.00 0.25 0.37 0.21 0.00 0.00 0.00 174.94 175.77 1wee s ASN 49 N 1.26 6.66 0.30 3.58 3.84 -1.26 -4.12 114.94 125.20 1wee s ASN 49 Ca -0.06 0.78 0.17 0.00 0.21 0.00 0.00 52.86 53.97 1wee s ASN 49 Cb -0.14 -2.22 1.09 0.00 -0.55 0.00 0.00 41.25 39.43 1wee s ASN 49 CO -0.02 0.22 1.27 -3.20 -2.79 0.00 0.00 177.10 172.58 1wee n ASN 50 N 2.60 0.28 -0.18 -4.21 2.85 -1.26 0.87 115.26 116.21 1wee n ASN 50 Ca -0.13 1.33 -0.03 0.00 -0.11 0.00 0.00 54.58 55.64 1wee n ASN 50 Cb 0.52 -0.65 0.03 0.00 1.24 0.00 0.00 39.78 40.92 1wee n ASN 50 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wee h ALA 51 N 1.60 0.17 -2.52 5.20 0.00 -2.06 -3.41 119.26 118.24 1wee h ALA 51 Ca 0.69 0.19 -0.46 0.00 0.00 0.00 0.00 54.91 55.32 1wee h ALA 51 Cb 1.83 0.58 0.12 0.00 0.00 0.00 0.00 17.79 20.32 1wee h ALA 51 CO -0.61 -0.55 0.33 0.34 0.00 0.00 0.00 179.25 178.76 1wee s ASP 52 N -5.18 3.79 0.55 0.00 2.15 0.25 -5.08 116.67 113.15 1wee s ASP 52 Ca -0.14 0.92 0.09 0.00 0.43 0.00 0.00 52.55 53.85 1wee s ASP 52 Cb 0.17 -1.48 0.07 0.00 -0.30 0.00 0.00 42.92 41.38 1wee s ASP 52 CO 0.71 -2.37 0.73 0.00 -0.17 0.00 0.00 175.17 174.07 1wee s ALA 53 N -3.35 4.67 0.01 3.66 0.00 -1.26 -4.83 121.76 120.65 1wee s ALA 53 Ca 0.63 -2.03 -0.26 0.00 0.00 0.00 0.00 51.96 50.31 1wee s ALA 53 Cb -0.14 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 1wee s ALA 53 CO 0.52 -0.76 0.80 -0.51 0.00 0.00 0.00 175.76 175.82 1wee s LEU 54 N -4.59 4.40 0.07 0.00 1.43 -1.26 -5.00 118.68 113.72 1wee s LEU 54 Ca 0.59 1.44 -0.31 0.00 -1.03 0.00 0.00 54.13 54.82 1wee s LEU 54 Cb -0.06 -3.28 -0.07 0.00 0.03 0.00 0.00 46.19 42.81 1wee s LEU 54 CO 0.37 -0.09 1.39 -2.16 0.23 0.00 0.00 176.35 176.10 1wee s PRO 55 N 0.42 4.31 0.34 1.29 0.04 -1.26 -4.89 135.00 135.26 1wee s PRO 55 Ca 0.42 2.03 0.17 0.00 0.04 0.00 0.00 61.00 63.66 1wee s PRO 55 Cb -0.20 -3.38 1.19 0.00 0.04 0.00 0.00 34.50 32.15 1wee s PRO 55 CO 0.23 -0.48 1.50 0.43 0.04 0.00 0.00 177.00 178.71 1wee n SER 56 N 4.49 0.26 -3.92 6.66 7.64 -1.26 -4.29 113.62 123.20 1wee n SER 56 Ca 0.12 1.58 -0.14 0.00 1.01 0.00 0.00 58.87 61.44 1wee n SER 56 Cb 0.43 -0.74 -0.14 0.00 -1.01 0.00 0.00 64.21 62.75 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 -5.53 0.24 -0.04 1.43 -2.85 -1.26 -4.99 119.74 106.74 1wee s LYS 57 Ca -0.09 -0.10 -0.01 0.00 -1.00 0.00 0.00 55.97 54.77 1wee s LYS 57 Cb 0.32 -0.24 0.03 0.00 -2.06 0.00 0.00 37.83 35.88 1wee s LYS 57 CO 0.74 0.06 0.03 0.12 0.10 0.00 0.00 175.35 176.40 1wee s PHE 58 N -0.05 0.29 0.02 1.78 5.36 -1.26 -5.01 117.98 119.11 1wee s PHE 58 Ca 0.01 0.07 -0.00 0.00 -0.96 0.00 0.00 56.93 56.05 1wee s PHE 58 Cb -0.01 -0.54 -0.04 0.00 -0.34 0.00 0.00 43.02 42.09 1wee s PHE 58 CO -0.00 -0.21 0.12 -0.51 -1.46 0.00 0.00 175.22 173.16 1wee s LEU 59 N 1.76 4.03 0.42 6.12 1.43 -1.26 -2.29 118.68 128.89 1wee s LEU 59 Ca 0.00 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 1wee s LEU 59 Cb -0.13 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.63 1wee s LEU 59 CO -0.03 0.24 0.60 0.00 0.23 0.00 0.00 176.35 177.39 1wee h PHE 61 N 0.55 -1.00 -0.74 0.00 -1.00 -2.00 -0.98 116.94 111.77 1wee h PHE 61 Ca -0.44 0.05 0.16 0.00 2.81 0.00 0.00 57.97 60.56 1wee h PHE 61 Cb 1.27 0.48 -0.13 0.00 3.61 0.00 0.00 35.95 41.18 1wee h PHE 61 CO 0.42 -0.41 -0.05 0.00 -1.61 0.00 0.00 178.31 176.66 1wee h ARG 62 N -0.33 0.07 -0.46 1.51 2.47 -2.02 0.95 114.38 116.57 1wee h ARG 62 Ca 0.14 -0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.90 1wee h ARG 62 Cb 0.56 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.82 1wee h ARG 62 CO -0.49 0.04 0.20 0.00 0.56 0.00 0.00 179.97 180.29 1wee n ILE 64 N -4.95 0.00 -0.10 0.00 2.08 0.33 0.84 119.36 117.55 1wee n ILE 64 Ca 0.04 1.20 -0.24 0.00 0.56 0.00 0.00 62.75 64.31 1wee n ILE 64 Cb 0.15 -2.02 -0.12 0.00 -0.75 0.00 0.00 39.64 36.91 1wee n ILE 64 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1wee n GLU 65 N -3.50 0.62 -0.21 0.38 4.71 -0.69 -4.41 120.64 117.54 1wee n GLU 65 Ca 0.35 0.35 -0.01 0.00 -0.01 0.00 0.00 57.16 57.84 1wee n GLU 65 Cb 1.62 -1.62 0.10 0.00 -1.01 0.00 0.00 31.44 30.53 1wee n GLU 65 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1wee h LEU 66 N -0.66 0.33 -9.16 -4.62 3.38 0.71 -3.41 115.31 101.88 1wee h LEU 66 Ca -0.52 0.06 -0.59 0.00 0.09 0.00 0.00 57.88 56.92 1wee h LEU 66 Cb 1.63 0.01 0.01 0.00 0.09 0.00 0.00 40.66 42.40 1wee h LEU 66 CO -0.21 0.20 1.26 -1.54 0.09 0.00 0.00 178.44 178.24 1wee n SER 67 N -4.93 3.50 -4.67 -0.43 3.41 0.83 -4.88 113.62 106.45 1wee n SER 67 Ca 0.08 0.73 -0.42 0.00 -0.26 0.00 0.00 58.87 59.00 1wee n SER 67 Cb 0.24 -1.45 -0.03 0.00 -0.26 0.00 0.00 64.21 62.72 1wee n SER 67 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wee s GLY 68 N 5.43 1.46 -0.17 5.00 0.00 -1.26 -4.92 107.32 112.85 1wee s GLY 68 Ca 0.95 1.27 -0.29 0.00 0.00 0.00 0.00 44.72 46.65 1wee s GLY 68 CO 0.45 3.25 1.57 2.56 0.00 0.00 0.00 173.10 180.93 1wee s PRO 69 N 3.76 3.96 0.03 2.90 0.04 -1.26 -4.93 135.00 139.49 1wee s PRO 69 Ca 0.82 1.79 -0.27 0.00 0.04 0.00 0.00 61.00 63.39 1wee s PRO 69 Cb -0.41 -3.98 -0.17 0.00 0.04 0.00 0.00 34.50 29.98 1wee s PRO 69 CO 0.37 -1.10 1.32 1.03 0.04 0.00 0.00 177.00 178.66 1wee h SER 70 N 10.05 -0.50 0.05 6.66 0.87 -2.04 -3.26 113.55 125.37 1wee h SER 70 Ca -0.34 -0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.16 1wee h SER 70 Cb 1.15 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 63.19 1wee h SER 70 CO 0.99 -0.19 -0.43 -1.28 -0.53 0.00 0.00 176.83 175.39 1wee h SER 71 N -0.84 -1.29 0.00 6.23 0.87 -2.03 -3.58 113.55 112.92 1wee h SER 71 Ca -0.06 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1wee h SER 71 Cb 0.56 0.49 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1wee h SER 71 CO 0.10 -0.48 0.00 0.61 -0.53 0.00 0.00 176.83 176.53