#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 6.21 0.15 1.61 0.15 -1.26 -4.90 113.70 115.67 1wee s SER 2 Ca 0.00 -1.07 -0.16 0.00 0.70 0.00 0.00 55.95 55.42 1wee s SER 2 Cb 0.00 -2.42 0.05 0.00 -1.71 0.00 0.00 66.02 61.94 1wee s SER 2 CO 0.00 -1.42 1.77 0.77 1.20 0.00 0.00 173.24 175.56 1wee h SER 3 N 9.52 0.26 -6.58 5.45 4.64 -1.99 -3.47 113.55 121.39 1wee h SER 3 Ca -0.25 0.02 -0.51 0.00 -0.47 0.00 0.00 61.79 60.58 1wee h SER 3 Cb 1.07 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.09 1wee h SER 3 CO 1.18 0.19 -0.93 0.61 -0.87 0.00 0.00 176.83 177.02 1wee n GLY 4 N -1.21 -0.44 4.29 -0.77 0.00 -1.26 -0.62 105.19 105.17 1wee n GLY 4 Ca 0.01 0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 1wee n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wee n SER 5 N -2.81 -1.13 -3.64 1.61 3.41 -1.26 -4.87 113.62 104.94 1wee n SER 5 Ca -0.25 -1.16 -0.07 0.00 -0.26 0.00 0.00 58.87 57.14 1wee n SER 5 Cb 0.65 -1.47 -0.07 0.00 -0.26 0.00 0.00 64.21 63.06 1wee n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wee s SER 6 N -3.34 -0.81 0.00 4.04 0.15 0.21 -5.16 113.70 108.79 1wee s SER 6 Ca 0.61 1.33 0.00 0.00 0.70 0.00 0.00 55.95 58.58 1wee s SER 6 Cb -0.35 1.34 0.00 0.00 -1.71 0.00 0.00 66.02 65.29 1wee s SER 6 CO 0.94 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.78 1wee n GLY 7 N 3.90 0.66 3.70 9.45 0.00 -1.26 -4.68 105.19 116.96 1wee n GLY 7 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1wee n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1wee s MET 8 N 2.20 4.18 -0.20 1.61 -2.45 -1.26 -4.99 119.30 118.39 1wee s MET 8 Ca 0.00 2.43 -0.11 0.00 -1.25 0.00 0.00 55.69 56.75 1wee s MET 8 Cb 0.00 -3.46 0.06 0.00 1.25 0.00 0.00 34.83 32.69 1wee s MET 8 CO 0.00 -0.73 0.48 -2.00 1.05 0.00 0.00 175.02 173.81 1wee s GLU 9 N 2.21 0.47 -0.84 4.11 2.12 -1.26 -5.09 118.70 120.42 1wee s GLU 9 Ca 0.75 0.89 -0.30 0.00 0.36 0.00 0.00 54.97 56.66 1wee s GLU 9 Cb -0.43 0.02 -0.18 0.00 0.26 0.00 0.00 34.13 33.81 1wee s GLU 9 CO 0.33 -0.15 2.60 0.54 -0.54 0.00 0.00 175.26 178.04 1wee n ARG 10 N 4.22 0.29 -1.74 4.30 5.12 -1.26 -4.82 116.66 122.77 1wee n ARG 10 Ca -0.22 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.28 1wee n ARG 10 Cb 0.56 -2.03 -0.01 0.00 -1.16 0.00 0.00 32.46 29.83 1wee n ARG 10 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wee n GLY 11 N 6.40 1.05 3.87 -0.13 0.00 -1.26 -4.99 105.19 110.14 1wee n GLY 11 Ca 0.58 0.37 -0.34 0.00 0.00 0.00 0.00 46.02 46.62 1wee n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wee s VAL 12 N -0.72 5.33 0.53 1.61 0.11 -1.26 -4.99 120.40 121.01 1wee s VAL 12 Ca 0.58 -0.09 -0.21 0.00 -2.93 0.00 0.00 61.98 59.33 1wee s VAL 12 Cb -0.52 -3.43 -0.05 0.00 -1.53 0.00 0.00 36.38 30.85 1wee s VAL 12 CO 0.58 0.42 1.26 -1.81 -3.33 0.00 0.00 175.10 172.22 1wee s ASP 13 N -1.62 5.56 0.30 3.54 1.11 -1.26 -4.88 116.67 119.42 1wee s ASP 13 Ca 0.23 2.53 0.00 0.00 0.18 0.00 0.00 52.55 55.49 1wee s ASP 13 Cb -0.12 -2.62 0.71 0.00 1.07 0.00 0.00 42.92 41.96 1wee s ASP 13 CO 0.13 -1.35 1.57 -1.13 1.18 0.00 0.00 175.17 175.57 1wee h ASN 14 N 1.54 -0.54 -1.36 0.27 -0.73 -2.03 -3.40 115.58 109.33 1wee h ASN 14 Ca -0.50 0.28 -0.78 0.00 1.87 0.00 0.00 56.30 57.17 1wee h ASN 14 Cb 1.28 0.50 0.01 0.00 0.27 0.00 0.00 38.32 40.39 1wee h ASN 14 CO 0.58 -0.35 0.81 0.79 -0.37 0.00 0.00 177.43 178.89 1wee n TRP 15 N -5.51 1.92 -1.97 0.67 7.02 -1.26 -4.76 117.44 113.56 1wee n TRP 15 Ca 0.22 0.75 -0.25 0.00 -1.02 0.00 0.00 57.50 57.20 1wee n TRP 15 Cb 0.72 -2.38 -0.06 0.00 -2.42 0.00 0.00 31.31 27.17 1wee n TRP 15 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1wee s LYS 16 N 3.25 2.31 -0.10 -0.99 1.02 -1.26 -4.78 119.74 119.18 1wee s LYS 16 Ca 1.00 -0.60 -0.01 0.00 0.02 0.00 0.00 55.97 56.38 1wee s LYS 16 Cb -1.21 -5.11 0.05 0.00 -0.52 0.00 0.00 37.83 31.04 1wee s LYS 16 CO 0.70 -3.94 2.14 1.33 -0.92 0.00 0.00 175.35 174.66 1wee n VAL 17 N 8.04 2.33 -2.44 3.17 0.24 -1.26 -3.29 118.33 125.12 1wee n VAL 17 Ca 0.43 -0.97 -0.43 0.00 -2.04 0.00 0.00 64.34 61.33 1wee n VAL 17 Cb 0.46 -1.49 -0.02 0.00 -1.47 0.00 0.00 33.84 31.32 1wee n VAL 17 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1wee s ASP 18 N 1.43 6.97 0.49 -1.34 2.15 -1.26 -4.59 116.67 120.51 1wee s ASP 18 Ca 0.15 1.68 0.08 0.00 0.43 0.00 0.00 52.55 54.89 1wee s ASP 18 Cb 0.10 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 40.21 1wee s ASP 18 CO -0.01 -0.74 0.56 0.00 -0.17 0.00 0.00 175.17 174.81 1wee h LYS 20 N 0.62 0.47 -0.55 0.00 2.10 -1.95 -3.35 116.57 113.91 1wee h LYS 20 Ca -0.37 -0.81 0.10 0.00 -2.00 0.00 0.00 60.65 57.58 1wee h LYS 20 Cb 1.28 0.30 -0.08 0.00 -0.90 0.00 0.00 32.23 32.83 1wee h LYS 20 CO 0.49 1.39 0.08 0.00 -2.00 0.00 0.00 179.45 179.42 1wee n GLY 22 N -1.31 0.11 3.85 0.00 0.00 -1.26 -5.15 105.19 101.43 1wee n GLY 22 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.12 5.24 -0.25 2.61 2.01 -1.26 -4.99 115.64 118.87 1wee s THR 23 Ca 0.00 0.56 -0.10 0.00 0.31 0.00 0.00 61.69 62.47 1wee s THR 23 Cb 0.00 -3.58 -0.12 0.00 0.01 0.00 0.00 72.50 68.82 1wee s THR 23 CO 0.00 0.60 -0.30 2.29 -0.69 0.00 0.00 174.62 176.52 1wee n LYS 24 N 1.90 0.54 -4.72 4.92 2.85 -1.26 -2.94 118.16 119.46 1wee n LYS 24 Ca -0.17 0.21 -0.32 0.00 -1.05 0.00 0.00 58.31 56.99 1wee n LYS 24 Cb 0.53 -1.40 -0.08 0.00 -0.65 0.00 0.00 35.03 33.43 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 -7.05 4.08 0.10 -5.58 1.47 -1.26 -4.48 116.67 103.96 1wee s ASP 25 Ca -0.34 -1.58 -0.32 0.00 1.18 0.00 0.00 52.55 51.48 1wee s ASP 25 Cb 0.12 0.31 -0.11 0.00 -0.34 0.00 0.00 42.92 42.90 1wee s ASP 25 CO 0.46 -0.77 1.80 -0.67 0.68 0.00 0.00 175.17 176.68 1wee n ASP 26 N -1.21 3.82 -0.12 2.11 2.03 -1.26 -4.90 116.55 117.02 1wee n ASP 26 Ca -0.16 1.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.90 1wee n ASP 26 Cb 0.67 -1.50 -0.11 0.00 -0.72 0.00 0.00 41.12 39.46 1wee n ASP 26 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1wee n ASP 27 N 5.39 1.96 0.00 1.67 -0.08 -1.26 -5.03 116.55 119.20 1wee n ASP 27 Ca 0.18 0.23 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1wee n ASP 27 Cb 0.35 -0.75 0.00 0.00 2.34 0.00 0.00 41.12 43.06 1wee n ASP 27 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wee n GLY 28 N 1.58 1.12 3.78 0.27 0.00 -1.26 -5.14 105.19 105.53 1wee n GLY 28 Ca -0.47 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 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 4.05 0.78 1.61 0.41 -1.26 -5.00 118.70 119.30 1wee s GLU 29 Ca 0.00 1.61 -0.14 0.00 -0.41 0.00 0.00 54.97 56.02 1wee s GLU 29 Cb 0.00 -2.52 0.05 0.00 -1.78 0.00 0.00 34.13 29.88 1wee s GLU 29 CO 0.00 -0.26 1.05 -2.13 -0.49 0.00 0.00 175.26 173.43 1wee n ARG 30 N -0.16 0.30 -3.96 1.61 0.63 -1.26 -4.90 116.66 108.91 1wee n ARG 30 Ca 0.05 0.17 -0.09 0.00 -0.92 0.00 0.00 57.85 57.06 1wee n ARG 30 Cb 0.49 -2.31 -0.10 0.00 0.45 0.00 0.00 32.46 30.98 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 -3.75 0.41 -0.03 -0.14 -1.94 -1.26 -2.55 119.30 110.04 1wee s MET 31 Ca 0.72 -0.63 0.03 0.00 -1.71 0.00 0.00 55.69 54.10 1wee s MET 31 Cb -0.31 0.15 0.00 0.00 2.01 0.00 0.00 34.83 36.69 1wee s MET 31 CO 0.52 -0.08 -0.09 -0.48 -0.01 0.00 0.00 175.02 174.87 1wee s LEU 32 N -1.65 1.81 0.22 -0.03 2.34 -0.65 -4.82 118.68 115.90 1wee s LEU 32 Ca -0.13 -0.19 -0.30 0.00 0.06 0.00 0.00 54.13 53.57 1wee s LEU 32 Cb -0.07 -0.57 -0.09 0.00 -0.56 0.00 0.00 46.19 44.91 1wee s LEU 32 CO -0.02 0.07 1.16 0.00 -1.06 0.00 0.00 176.35 176.51 1wee s ALA 33 N 0.16 3.42 -0.57 1.48 0.00 -1.26 -0.29 121.76 124.69 1wee s ALA 33 Ca -0.03 0.93 -0.27 0.00 0.00 0.00 0.00 51.96 52.59 1wee s ALA 33 Cb -0.08 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 1wee s ALA 33 CO 0.00 -0.30 1.75 0.00 0.00 0.00 0.00 175.76 177.22 1wee n ASP 35 N 11.77 0.23 0.00 0.00 -0.08 -0.86 0.48 116.55 128.09 1wee n ASP 35 Ca 0.19 1.20 0.00 0.00 -1.51 0.00 0.00 54.79 54.66 1wee n ASP 35 Cb 0.51 -0.59 0.00 0.00 2.34 0.00 0.00 41.12 43.38 1wee n ASP 35 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wee n GLY 36 N -1.27 -2.63 0.14 0.27 0.00 -1.26 -4.53 105.19 95.91 1wee n GLY 36 Ca 0.30 0.16 -0.21 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 1.39 0.67 3.26 0.00 0.00 0.18 -4.94 105.19 105.74 1wee n GLY 38 Ca -0.37 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.25 3.22 -0.06 1.61 1.01 -1.26 -4.59 120.40 120.08 1wee s VAL 39 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 1wee s VAL 39 Cb 0.00 -2.60 -0.07 0.00 0.00 0.00 0.00 36.38 33.71 1wee s VAL 39 CO 0.00 0.22 1.92 0.26 0.00 0.00 0.00 175.10 177.51 1wee s TRP 40 N 1.40 1.47 0.07 5.22 0.52 -1.21 -1.81 118.94 124.60 1wee s TRP 40 Ca 0.02 -0.04 0.05 0.00 0.02 0.00 0.00 56.10 56.16 1wee s TRP 40 Cb -0.16 -4.10 -0.04 0.00 -1.15 0.00 0.00 33.47 28.02 1wee s TRP 40 CO -0.03 -4.68 -0.07 -1.01 0.02 0.00 0.00 176.95 171.18 1wee s HIS 41 N 5.23 2.83 -0.57 -1.98 3.76 0.60 -4.13 115.29 121.02 1wee s HIS 41 Ca 0.86 -0.10 -0.27 0.00 -0.15 0.00 0.00 55.06 55.41 1wee s HIS 41 Cb -0.37 -1.51 -0.03 0.00 1.11 0.00 0.00 32.58 31.78 1wee s HIS 41 CO 0.37 0.41 1.96 -1.01 -0.85 0.00 0.00 174.74 175.62 1wee s HIS 42 N -1.15 1.55 0.20 1.40 3.76 -1.26 -1.63 115.29 118.16 1wee s HIS 42 Ca 0.21 0.93 -0.05 0.00 -0.15 0.00 0.00 55.06 56.00 1wee s HIS 42 Cb -0.11 -3.99 0.34 0.00 1.11 0.00 0.00 32.58 29.93 1wee s HIS 42 CO 0.12 -2.41 1.08 0.25 -0.85 0.00 0.00 174.74 172.94 1wee n THR 43 N 7.38 -0.29 0.51 1.30 -2.24 -1.06 0.08 114.28 119.96 1wee n THR 43 Ca 0.24 1.58 -0.20 0.00 -2.27 0.00 0.00 64.05 63.40 1wee n THR 43 Cb 0.52 -2.20 -0.09 0.00 -2.10 0.00 0.00 70.33 66.46 1wee n THR 43 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1wee h ARG 44 N 0.00 -1.25 -0.71 -0.78 2.43 -1.82 0.10 114.38 112.36 1wee h ARG 44 Ca 0.34 0.09 0.07 0.00 -0.81 0.00 0.00 59.98 59.66 1wee h ARG 44 Cb 0.54 0.28 -0.09 0.00 -0.42 0.00 0.00 29.97 30.29 1wee h ARG 44 CO -0.71 -0.83 -0.48 0.00 -1.51 0.00 0.00 179.97 176.45 1wee h ILE 46 N -0.07 0.61 0.00 0.00 3.07 -1.30 -3.45 117.51 116.36 1wee h ILE 46 Ca 0.11 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1wee h ILE 46 Cb 0.37 0.24 0.00 0.00 -0.27 0.00 0.00 36.82 37.16 1wee h ILE 46 CO -0.70 0.06 0.00 0.61 -1.05 0.00 0.00 178.15 177.07 1wee n GLY 47 N -1.54 3.67 1.79 0.16 0.00 0.25 -5.11 105.19 104.41 1wee n GLY 47 Ca 0.21 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 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 0.59 -3.71 -0.61 2.08 0.30 -4.76 119.36 113.26 1wee n ILE 48 Ca 0.00 -0.27 -0.37 0.00 0.56 0.00 0.00 62.75 62.67 1wee n ILE 48 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 38.83 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 -0.54 6.53 0.29 4.38 3.84 -1.26 -3.66 114.94 124.53 1wee s ASN 49 Ca 0.33 0.63 0.13 0.00 0.21 0.00 0.00 52.86 54.16 1wee s ASN 49 Cb -0.40 -2.14 0.99 0.00 -0.55 0.00 0.00 41.25 39.16 1wee s ASN 49 CO 0.32 0.34 1.30 -0.46 -2.79 0.00 0.00 177.10 175.82 1wee n ASN 50 N 2.15 0.19 -0.05 -4.21 6.94 -1.26 0.49 115.26 119.51 1wee n ASN 50 Ca -0.17 1.38 -0.14 0.00 -0.02 0.00 0.00 54.58 55.63 1wee n ASN 50 Cb 0.54 -0.63 -0.12 0.00 -2.36 0.00 0.00 39.78 37.20 1wee n ASN 50 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wee h ALA 51 N 1.65 -0.00 -2.02 -2.53 0.00 -2.01 -3.47 119.26 110.88 1wee h ALA 51 Ca 0.65 -0.46 -0.56 0.00 0.00 0.00 0.00 54.91 54.54 1wee h ALA 51 Cb 1.65 0.00 0.23 0.00 0.00 0.00 0.00 17.79 19.68 1wee h ALA 51 CO -0.67 -0.02 -1.65 -3.47 0.00 0.00 0.00 179.25 173.44 1wee n ASP 52 N -4.63 -5.34 -4.98 0.00 2.03 0.18 -4.98 116.55 98.83 1wee n ASP 52 Ca -0.10 0.27 -0.19 0.00 0.52 0.00 0.00 54.79 55.29 1wee n ASP 52 Cb 0.45 -0.81 0.05 0.00 -0.72 0.00 0.00 41.12 40.10 1wee n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wee s ALA 53 N -2.02 4.51 0.03 -1.67 0.00 -1.26 -4.73 121.76 116.61 1wee s ALA 53 Ca 0.44 -1.94 -0.27 0.00 0.00 0.00 0.00 51.96 50.20 1wee s ALA 53 Cb -0.23 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.24 1wee s ALA 53 CO 0.79 -0.77 0.85 -0.51 0.00 0.00 0.00 175.76 176.11 1wee s LEU 54 N -4.64 4.41 0.08 0.00 1.43 -1.26 -4.93 118.68 113.77 1wee s LEU 54 Ca 0.60 1.53 -0.31 0.00 -1.03 0.00 0.00 54.13 54.92 1wee s LEU 54 Cb -0.07 -3.37 -0.07 0.00 0.03 0.00 0.00 46.19 42.71 1wee s LEU 54 CO 0.38 -0.10 1.39 -2.16 0.23 0.00 0.00 176.35 176.09 1wee s PRO 55 N 0.40 4.32 0.30 1.29 0.04 -1.26 -4.89 135.00 135.19 1wee s PRO 55 Ca 0.44 2.03 0.10 0.00 0.04 0.00 0.00 61.00 63.61 1wee s PRO 55 Cb -0.21 -3.35 0.92 0.00 0.04 0.00 0.00 34.50 31.91 1wee s PRO 55 CO 0.25 -0.47 1.36 0.45 0.04 0.00 0.00 177.00 178.63 1wee n SER 56 N 4.37 0.11 -3.77 6.66 2.88 -1.26 -4.19 113.62 118.42 1wee n SER 56 Ca 0.12 1.46 -0.14 0.00 -1.33 0.00 0.00 58.87 58.97 1wee n SER 56 Cb 0.43 -0.62 -0.15 0.00 -0.75 0.00 0.00 64.21 63.11 1wee n SER 56 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1wee s LYS 57 N -5.56 0.01 -0.07 -1.46 1.02 -1.26 -5.02 119.74 107.40 1wee s LYS 57 Ca -0.09 0.24 0.01 0.00 0.02 0.00 0.00 55.97 56.14 1wee s LYS 57 Cb 0.28 -0.20 0.02 0.00 -0.52 0.00 0.00 37.83 37.41 1wee s LYS 57 CO 0.68 -0.15 -0.06 0.12 -0.92 0.00 0.00 175.35 175.02 1wee s PHE 58 N 1.01 1.01 0.01 3.18 5.36 -1.26 -5.03 117.98 122.26 1wee s PHE 58 Ca -0.08 -0.37 0.03 0.00 -0.96 0.00 0.00 56.93 55.55 1wee s PHE 58 Cb -0.11 -0.88 -0.04 0.00 -0.34 0.00 0.00 43.02 41.65 1wee s PHE 58 CO -0.04 -0.30 -0.03 -0.51 -1.46 0.00 0.00 175.22 172.89 1wee s LEU 59 N 1.23 3.36 0.10 6.12 2.01 -1.26 -2.04 118.68 128.20 1wee s LEU 59 Ca -0.05 -0.09 -0.09 0.00 0.01 0.00 0.00 54.13 53.91 1wee s LEU 59 Cb -0.14 -1.94 -0.06 0.00 0.01 0.00 0.00 46.19 44.06 1wee s LEU 59 CO -0.02 0.27 0.41 0.00 1.01 0.00 0.00 176.35 178.02 1wee n PHE 61 N 0.69 0.29 -0.15 0.00 3.01 -1.26 0.57 117.46 120.61 1wee n PHE 61 Ca -0.06 1.05 -0.05 0.00 1.01 0.00 0.00 57.45 59.39 1wee n PHE 61 Cb 0.52 -0.99 0.01 0.00 -0.01 0.00 0.00 39.48 39.01 1wee n PHE 61 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wee h ARG 62 N 0.00 -0.16 -0.25 -1.08 3.08 -2.02 -1.61 114.38 112.35 1wee h ARG 62 Ca 0.41 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.44 1wee h ARG 62 Cb 0.62 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1wee h ARG 62 CO -0.88 -0.10 0.03 0.00 -1.07 0.00 0.00 179.97 177.95 1wee n ILE 64 N -4.67 -0.22 -0.05 0.00 2.08 0.05 0.15 119.36 116.69 1wee n ILE 64 Ca -0.03 1.28 -0.19 0.00 0.56 0.00 0.00 62.75 64.37 1wee n ILE 64 Cb 0.21 -2.10 -0.13 0.00 -0.75 0.00 0.00 39.64 36.87 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 -4.25 0.71 -0.22 0.38 1.02 -1.14 -4.34 120.64 112.80 1wee n GLU 65 Ca 0.27 0.21 0.01 0.00 -0.02 0.00 0.00 57.16 57.63 1wee n GLU 65 Cb 0.98 -1.64 0.12 0.00 -0.02 0.00 0.00 31.44 30.89 1wee n GLU 65 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1wee h LEU 66 N 0.04 0.32 -8.16 -4.62 7.12 0.18 -3.33 115.31 106.87 1wee h LEU 66 Ca -0.48 0.07 -0.38 0.00 0.13 0.00 0.00 57.88 57.22 1wee h LEU 66 Cb 1.99 0.03 -0.06 0.00 -0.53 0.00 0.00 40.66 42.09 1wee h LEU 66 CO 0.02 0.18 1.01 -0.55 -0.13 0.00 0.00 178.44 178.97 1wee s SER 67 N -5.43 5.51 0.00 1.25 0.15 0.69 -4.78 113.70 111.10 1wee s SER 67 Ca -0.13 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 55.48 1wee s SER 67 Cb 0.18 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1wee s SER 67 CO 0.75 -2.43 0.00 0.61 1.20 0.00 0.00 173.24 173.37 1wee n GLY 68 N 6.68 -0.44 0.00 9.45 0.00 -1.25 -4.36 105.19 115.26 1wee n GLY 68 Ca 0.39 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.49 1wee n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wee n PRO 69 N -2.11 0.31 -4.16 1.61 -0.04 -1.26 -4.87 135.00 124.49 1wee n PRO 69 Ca 0.00 0.09 -0.31 0.00 -0.04 0.00 0.00 63.50 63.24 1wee n PRO 69 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1wee n PRO 69 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wee n SER 70 N -1.18 -0.91 -1.75 3.54 7.64 -1.26 -4.78 113.62 114.92 1wee n SER 70 Ca 0.09 -1.09 -0.06 0.00 1.01 0.00 0.00 58.87 58.81 1wee n SER 70 Cb 0.10 -2.51 -0.07 0.00 -1.01 0.00 0.00 64.21 60.72 1wee n SER 70 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wee n SER 71 N -2.83 5.37 -0.39 6.43 7.64 -1.26 -5.20 113.62 123.37 1wee n SER 71 Ca -0.18 -2.48 0.05 0.00 1.01 0.00 0.00 58.87 57.27 1wee n SER 71 Cb 0.62 -1.25 0.04 0.00 -1.01 0.00 0.00 64.21 62.61 1wee n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64