#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wee n SER 2 N 0.00 -1.21 -4.50 1.61 3.41 -1.26 -4.80 113.62 106.88 1wee n SER 2 Ca 0.00 -1.25 -0.43 0.00 -0.26 0.00 0.00 58.87 56.93 1wee n SER 2 Cb 0.00 -1.59 -0.01 0.00 -0.26 0.00 0.00 64.21 62.35 1wee n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wee s SER 3 N -3.49 6.86 -0.29 4.04 0.01 -1.26 -4.89 113.70 114.69 1wee s SER 3 Ca 0.65 -2.51 -0.16 0.00 1.31 0.00 0.00 55.95 55.24 1wee s SER 3 Cb -0.38 -2.46 0.15 0.00 0.21 0.00 0.00 66.02 63.54 1wee s SER 3 CO 1.02 -0.99 1.01 -0.83 0.41 0.00 0.00 173.24 173.86 1wee s GLY 4 N 3.54 0.06 -0.28 3.44 0.00 -1.26 -5.17 107.32 107.65 1wee s GLY 4 Ca 0.43 3.20 -0.25 0.00 0.00 0.00 0.00 44.72 48.10 1wee s GLY 4 CO -0.01 2.57 0.93 -1.35 0.00 0.00 0.00 173.10 175.24 1wee s SER 5 N 1.25 -0.55 -0.41 1.64 1.04 -1.26 -5.11 113.70 110.31 1wee s SER 5 Ca -0.08 1.05 -0.37 0.00 0.48 0.00 0.00 55.95 57.03 1wee s SER 5 Cb -0.04 1.07 -0.16 0.00 0.10 0.00 0.00 66.02 67.00 1wee s SER 5 CO -0.14 -0.18 1.52 -1.20 0.98 0.00 0.00 173.24 174.22 1wee n SER 6 N 2.44 0.79 0.00 7.02 7.64 -1.26 -4.82 113.62 125.44 1wee n SER 6 Ca -0.13 0.75 0.00 0.00 1.01 0.00 0.00 58.87 60.50 1wee n SER 6 Cb 0.56 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 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 4.71 3.26 3.08 0.23 0.00 -1.26 -5.12 105.19 110.08 1wee n GLY 7 Ca 0.35 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.72 2.23 0.32 1.61 -2.45 -1.26 -5.11 119.30 112.92 1wee s MET 8 Ca 0.00 -1.36 0.09 0.00 -1.25 0.00 0.00 55.69 53.17 1wee s MET 8 Cb 0.00 -2.92 -0.05 0.00 1.25 0.00 0.00 34.83 33.11 1wee s MET 8 CO 0.00 -0.58 0.03 -1.21 1.05 0.00 0.00 175.02 174.30 1wee s GLU 9 N 1.10 2.17 -0.29 4.11 0.41 -1.26 -5.14 118.70 119.81 1wee s GLU 9 Ca -0.08 -1.63 -0.25 0.00 -0.41 0.00 0.00 54.97 52.59 1wee s GLU 9 Cb -0.20 -2.03 0.16 0.00 -1.78 0.00 0.00 34.13 30.29 1wee s GLU 9 CO -0.05 0.19 1.26 0.50 -0.49 0.00 0.00 175.26 176.67 1wee s ARG 10 N -3.73 0.26 0.00 1.61 6.06 -1.26 -5.17 118.95 116.72 1wee s ARG 10 Ca 0.34 0.28 0.00 0.00 -2.50 0.00 0.00 55.73 53.86 1wee s ARG 10 Cb -0.02 0.12 0.00 0.00 0.06 0.00 0.00 34.95 35.11 1wee s ARG 10 CO 0.20 -0.04 0.00 0.41 -2.50 0.00 0.00 175.30 173.37 1wee n GLY 11 N 1.76 3.90 3.56 8.12 0.00 -1.26 -5.14 105.19 116.13 1wee n GLY 11 Ca -0.11 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 1wee n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wee s VAL 12 N 3.63 4.02 -0.05 1.61 -7.23 -1.26 -5.04 120.40 116.08 1wee s VAL 12 Ca 0.00 -0.33 -0.00 0.00 -1.81 0.00 0.00 61.98 59.84 1wee s VAL 12 Cb 0.00 -2.73 -0.00 0.00 0.56 0.00 0.00 36.38 34.21 1wee s VAL 12 CO 0.00 0.53 -0.00 0.44 -0.31 0.00 0.00 175.10 175.76 1wee h ASP 13 N 6.14 0.00 -0.69 4.85 5.19 -2.00 -3.37 116.42 126.54 1wee h ASP 13 Ca -0.38 0.00 0.15 0.00 -0.62 0.00 0.00 57.03 56.17 1wee h ASP 13 Cb 1.19 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.57 1wee h ASP 13 CO 0.60 0.26 -0.14 0.59 -3.12 0.00 0.00 179.24 177.43 1wee n ASN 14 N -3.41 -0.22 -4.21 6.45 4.13 -1.26 -2.78 115.26 113.95 1wee n ASN 14 Ca -0.00 1.18 -0.41 0.00 1.68 0.00 0.00 54.58 57.03 1wee n ASN 14 Cb 0.00 -0.37 -0.08 0.00 -1.54 0.00 0.00 39.78 37.80 1wee n ASN 14 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1wee s TRP 15 N -5.81 3.47 -2.00 3.10 0.51 -1.26 -4.75 118.94 112.20 1wee s TRP 15 Ca -0.10 -2.02 0.17 0.00 -2.12 0.00 0.00 56.10 52.02 1wee s TRP 15 Cb 0.19 -3.51 0.99 0.00 -0.81 0.00 0.00 33.47 30.33 1wee s TRP 15 CO 0.54 -0.97 1.40 1.63 -0.51 0.00 0.00 176.95 179.04 1wee n LYS 16 N 4.54 0.58 -2.81 4.98 4.76 -1.12 -4.61 118.16 124.47 1wee n LYS 16 Ca -0.02 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.24 1wee n LYS 16 Cb 0.41 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 32.12 1wee n LYS 16 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1wee n VAL 17 N -0.95 0.00 -3.27 -0.18 0.24 -1.26 -4.76 118.33 108.15 1wee n VAL 17 Ca 0.12 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.04 1wee n VAL 17 Cb 0.06 -0.21 -0.06 0.00 -1.47 0.00 0.00 33.84 32.15 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 -1.97 6.60 0.03 -1.34 -1.08 -1.24 -4.25 116.67 113.42 1wee s ASP 18 Ca 0.35 0.72 0.04 0.00 -0.52 0.00 0.00 52.55 53.15 1wee s ASP 18 Cb -0.21 -2.29 -0.02 0.00 -1.46 0.00 0.00 42.92 38.95 1wee s ASP 18 CO 0.43 -0.12 -0.13 0.00 0.52 0.00 0.00 175.17 175.87 1wee h LYS 20 N 5.11 0.11 -0.56 0.00 5.09 -1.94 0.43 116.57 124.81 1wee h LYS 20 Ca -0.37 -0.01 0.10 0.00 0.09 0.00 0.00 60.65 60.47 1wee h LYS 20 Cb 1.18 -0.03 -0.08 0.00 0.10 0.00 0.00 32.23 33.41 1wee h LYS 20 CO 0.45 0.08 0.14 0.00 -2.09 0.00 0.00 179.45 178.02 1wee n GLY 22 N -1.30 0.68 3.65 0.00 0.00 0.15 -5.13 105.19 103.24 1wee n GLY 22 Ca 0.08 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 -1.16 5.26 -0.22 2.61 2.01 -1.22 -4.96 115.64 117.96 1wee s THR 23 Ca 0.00 0.47 -0.06 0.00 0.31 0.00 0.00 61.69 62.41 1wee s THR 23 Cb 0.00 -3.63 -0.19 0.00 0.01 0.00 0.00 72.50 68.69 1wee s THR 23 CO 0.00 0.27 -0.03 2.29 -0.69 0.00 0.00 174.62 176.45 1wee n LYS 24 N 4.58 0.66 -4.22 4.92 2.85 -1.26 -3.49 118.16 122.20 1wee n LYS 24 Ca -0.11 0.24 -0.28 0.00 -1.05 0.00 0.00 58.31 57.12 1wee n LYS 24 Cb 0.51 -1.59 -0.05 0.00 -0.65 0.00 0.00 35.03 33.25 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 -6.87 4.41 -0.15 -5.58 -4.77 -1.26 -4.62 116.67 97.82 1wee s ASP 25 Ca -0.31 -1.30 -0.32 0.00 -3.30 0.00 0.00 52.55 47.32 1wee s ASP 25 Cb 0.09 0.11 -0.09 0.00 -1.09 0.00 0.00 42.92 41.93 1wee s ASP 25 CO 0.63 -0.82 2.04 -0.90 0.70 0.00 0.00 175.17 176.82 1wee n ASP 26 N -1.42 3.28 0.07 2.11 5.68 -1.26 -4.88 116.55 120.13 1wee n ASP 26 Ca -0.06 0.66 -0.07 0.00 -0.50 0.00 0.00 54.79 54.81 1wee n ASP 26 Cb 0.65 -1.42 -0.04 0.00 -1.14 0.00 0.00 41.12 39.16 1wee n ASP 26 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1wee h ASP 27 N 11.56 -0.24 0.00 -1.12 1.82 -1.97 -3.49 116.42 122.99 1wee h ASP 27 Ca -0.43 -0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.07 1wee h ASP 27 Cb 1.27 0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.34 1wee h ASP 27 CO 0.96 0.27 0.00 0.61 -1.61 0.00 0.00 179.24 179.48 1wee n GLY 28 N 0.90 3.14 3.80 -0.78 0.00 -1.26 -5.14 105.19 105.85 1wee n GLY 28 Ca -0.05 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 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 3.39 0.99 1.61 2.02 -1.26 -4.99 118.70 120.46 1wee s GLU 29 Ca 0.00 1.27 -0.16 0.00 0.02 0.00 0.00 54.97 56.09 1wee s GLU 29 Cb 0.00 -2.04 -0.08 0.00 0.10 0.00 0.00 34.13 32.11 1wee s GLU 29 CO 0.00 -0.76 -0.41 -2.13 0.02 0.00 0.00 175.26 171.98 1wee n ARG 30 N -1.80 -0.16 -3.80 1.61 0.63 -1.26 -4.91 116.66 106.98 1wee n ARG 30 Ca 0.09 -0.03 -0.08 0.00 -0.92 0.00 0.00 57.85 56.91 1wee n ARG 30 Cb 0.53 -1.32 -0.02 0.00 0.45 0.00 0.00 32.46 32.10 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 -2.61 1.71 -0.10 -0.14 -1.94 -1.26 -3.31 119.30 111.65 1wee s MET 31 Ca 0.46 -0.92 -0.06 0.00 -1.71 0.00 0.00 55.69 53.46 1wee s MET 31 Cb -0.17 0.60 0.04 0.00 2.01 0.00 0.00 34.83 37.31 1wee s MET 31 CO 0.76 -0.78 0.24 -0.48 -0.01 0.00 0.00 175.02 174.76 1wee s LEU 32 N -2.90 0.68 0.54 -0.03 2.34 -0.91 -4.81 118.68 113.59 1wee s LEU 32 Ca 0.10 0.50 -0.16 0.00 0.06 0.00 0.00 54.13 54.63 1wee s LEU 32 Cb -0.05 0.76 -0.06 0.00 -0.56 0.00 0.00 46.19 46.28 1wee s LEU 32 CO 0.04 -0.13 1.01 0.00 -1.06 0.00 0.00 176.35 176.21 1wee s ALA 33 N 0.81 2.94 -0.56 1.48 0.00 -1.26 -2.47 121.76 122.69 1wee s ALA 33 Ca -0.06 0.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.07 1wee s ALA 33 Cb -0.07 -3.17 0.14 0.00 0.00 0.00 0.00 23.12 20.03 1wee s ALA 33 CO -0.05 -0.45 0.46 0.00 0.00 0.00 0.00 175.76 175.72 1wee n ASP 35 N 4.68 0.19 0.00 0.00 -0.08 -1.19 -0.31 116.55 119.85 1wee n ASP 35 Ca -0.04 1.10 0.00 0.00 -1.51 0.00 0.00 54.79 54.34 1wee n ASP 35 Cb 0.41 -0.54 0.00 0.00 2.34 0.00 0.00 41.12 43.33 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 -1.32 -3.11 0.06 0.27 0.00 -1.26 -4.45 105.19 95.38 1wee n GLY 36 Ca 0.29 0.21 -0.06 0.00 0.00 0.00 0.00 46.02 46.47 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 1.70 1.18 3.28 0.00 0.00 0.58 -5.00 105.19 106.92 1wee n GLY 38 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.78 2.01 0.69 1.61 1.01 -1.26 -4.30 120.40 118.39 1wee s VAL 39 Ca 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 60.82 1wee s VAL 39 Cb 0.00 -1.69 0.03 0.00 0.00 0.00 0.00 36.38 34.72 1wee s VAL 39 CO 0.00 0.56 1.05 0.26 0.00 0.00 0.00 175.10 176.97 1wee s TRP 40 N -0.34 3.17 -0.06 5.22 0.52 -1.26 -2.06 118.94 124.13 1wee s TRP 40 Ca 0.02 0.79 -0.30 0.00 0.02 0.00 0.00 56.10 56.63 1wee s TRP 40 Cb -0.12 -3.08 0.08 0.00 -1.15 0.00 0.00 33.47 29.20 1wee s TRP 40 CO 0.02 -1.23 0.74 -1.01 0.02 0.00 0.00 176.95 175.49 1wee s HIS 41 N -3.29 -0.59 -0.48 -1.98 3.76 -1.03 -3.59 115.29 108.10 1wee s HIS 41 Ca 0.58 0.96 -0.27 0.00 -0.15 0.00 0.00 55.06 56.18 1wee s HIS 41 Cb -0.11 0.43 -0.08 0.00 1.11 0.00 0.00 32.58 33.94 1wee s HIS 41 CO 0.48 -0.57 2.41 0.72 -0.85 0.00 0.00 174.74 176.93 1wee n HIS 42 N 0.77 1.45 0.26 1.40 8.25 -1.26 -2.14 115.22 123.95 1wee n HIS 42 Ca -0.17 0.11 0.09 0.00 -0.26 0.00 0.00 57.72 57.49 1wee n HIS 42 Cb 0.58 -2.64 0.48 0.00 1.12 0.00 0.00 29.99 29.53 1wee n HIS 42 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1wee h THR 43 N 7.65 0.00 0.00 1.59 1.35 -1.87 -1.44 112.91 120.20 1wee h THR 43 Ca -0.25 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1wee h THR 43 Cb 1.27 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1wee h THR 43 CO 1.15 0.00 -0.25 -0.09 -0.25 0.00 0.00 175.52 176.07 1wee h ARG 44 N 0.00 0.00 -0.81 4.72 2.43 -1.83 -0.28 114.38 118.61 1wee h ARG 44 Ca 0.00 0.00 0.24 0.00 -0.81 0.00 0.00 59.98 59.41 1wee h ARG 44 Cb 0.88 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 1wee h ARG 44 CO 0.00 0.00 0.64 0.00 -1.51 0.00 0.00 179.97 179.10 1wee h ILE 46 N 0.00 1.50 0.00 0.00 3.07 -1.48 -3.49 117.51 117.12 1wee h ILE 46 Ca 0.39 -2.97 0.00 0.00 1.55 0.00 0.00 64.86 63.82 1wee h ILE 46 Cb 1.67 2.84 0.00 0.00 -0.27 0.00 0.00 36.82 41.06 1wee h ILE 46 CO -0.00 0.87 0.00 0.61 -1.05 0.00 0.00 178.15 178.57 1wee n GLY 47 N 1.39 1.40 3.11 0.16 0.00 0.13 -5.11 105.19 106.27 1wee n GLY 47 Ca -0.07 -0.09 -0.45 0.00 0.00 0.00 0.00 46.02 45.41 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 1.55 -4.28 -0.61 5.41 -0.13 -4.77 119.36 116.54 1wee n ILE 48 Ca 0.00 -0.39 -0.17 0.00 1.00 0.00 0.00 62.75 63.19 1wee n ILE 48 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.84 1wee n ILE 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1wee s ASN 49 N -0.78 1.21 0.19 4.38 4.22 -1.26 -3.34 114.94 119.57 1wee s ASN 49 Ca 0.62 -1.59 -0.24 0.00 -2.14 0.00 0.00 52.86 49.50 1wee s ASN 49 Cb -0.89 0.45 0.08 0.00 1.28 0.00 0.00 41.25 42.17 1wee s ASN 49 CO 0.51 -0.94 1.54 -0.46 -2.04 0.00 0.00 177.10 175.71 1wee n ASN 50 N -0.98 -0.86 0.01 3.54 0.23 -1.26 -1.09 115.26 114.85 1wee n ASN 50 Ca 0.04 1.76 -0.14 0.00 -0.53 0.00 0.00 54.58 55.70 1wee n ASN 50 Cb 0.64 -0.31 -0.09 0.00 -2.08 0.00 0.00 39.78 37.94 1wee n ASN 50 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wee h ALA 51 N 0.92 -0.88 -2.31 -2.53 0.00 -2.00 -3.42 119.26 109.04 1wee h ALA 51 Ca 0.25 -0.06 -0.50 0.00 0.00 0.00 0.00 54.91 54.59 1wee h ALA 51 Cb 0.50 0.97 0.15 0.00 0.00 0.00 0.00 17.79 19.40 1wee h ALA 51 CO -0.96 -1.05 0.28 0.34 0.00 0.00 0.00 179.25 177.86 1wee s ASP 52 N -4.65 3.92 0.49 0.00 2.15 -0.25 -5.07 116.67 113.26 1wee s ASP 52 Ca -0.14 1.75 0.04 0.00 0.43 0.00 0.00 52.55 54.62 1wee s ASP 52 Cb 0.06 -2.41 -0.02 0.00 -0.30 0.00 0.00 42.92 40.25 1wee s ASP 52 CO 0.56 -2.40 0.09 0.00 -0.17 0.00 0.00 175.17 173.26 1wee s ALA 53 N -2.87 3.96 -0.07 3.66 0.00 -1.26 -4.41 121.76 120.76 1wee s ALA 53 Ca 0.63 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.26 1wee s ALA 53 Cb -0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1wee s ALA 53 CO 0.57 -0.13 1.01 -0.51 0.00 0.00 0.00 175.76 176.70 1wee s LEU 54 N -3.93 4.28 0.57 0.00 1.43 -1.26 -4.94 118.68 114.83 1wee s LEU 54 Ca 0.19 1.58 -0.19 0.00 -1.03 0.00 0.00 54.13 54.68 1wee s LEU 54 Cb 0.03 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.64 1wee s LEU 54 CO 0.11 -0.40 1.12 -2.16 0.23 0.00 0.00 176.35 175.25 1wee s PRO 55 N 1.74 3.24 0.21 1.29 0.04 -1.26 -4.95 135.00 135.31 1wee s PRO 55 Ca 0.50 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.99 1wee s PRO 55 Cb -0.19 -1.99 0.15 0.00 0.04 0.00 0.00 34.50 32.50 1wee s PRO 55 CO 0.21 -0.93 1.88 0.77 0.04 0.00 0.00 177.00 178.97 1wee h SER 56 N 0.96 0.84 -3.18 6.66 0.02 -2.04 -3.40 113.55 113.42 1wee h SER 56 Ca -0.49 -0.02 -0.56 0.00 -0.84 0.00 0.00 61.79 59.87 1wee h SER 56 Cb 1.26 -0.21 -0.37 0.00 0.14 0.00 0.00 62.40 63.22 1wee h SER 56 CO 0.56 0.61 -0.81 -0.54 -1.14 0.00 0.00 176.83 175.51 1wee s LYS 57 N -6.14 1.85 -0.10 3.45 1.02 -1.26 -5.07 119.74 113.49 1wee s LYS 57 Ca -0.13 -0.42 0.02 0.00 0.02 0.00 0.00 55.97 55.46 1wee s LYS 57 Cb 0.15 -1.87 0.01 0.00 -0.52 0.00 0.00 37.83 35.60 1wee s LYS 57 CO 0.78 -0.28 -0.16 0.12 -0.92 0.00 0.00 175.35 174.89 1wee s PHE 58 N 1.60 2.01 -0.22 3.18 5.36 -1.26 -5.10 117.98 123.55 1wee s PHE 58 Ca 0.04 -0.91 -0.00 0.00 -0.96 0.00 0.00 56.93 55.10 1wee s PHE 58 Cb -0.13 -1.43 0.06 0.00 -0.34 0.00 0.00 43.02 41.18 1wee s PHE 58 CO -0.09 -0.45 -0.02 -0.51 -1.46 0.00 0.00 175.22 172.69 1wee s LEU 59 N 0.84 2.12 0.43 6.12 1.02 -1.26 -3.14 118.68 124.80 1wee s LEU 59 Ca -0.10 -1.07 -0.22 0.00 0.02 0.00 0.00 54.13 52.77 1wee s LEU 59 Cb -0.15 -0.99 -0.13 0.00 0.02 0.00 0.00 46.19 44.94 1wee s LEU 59 CO 0.01 -0.26 0.48 0.00 0.02 0.00 0.00 176.35 176.60 1wee h PHE 61 N 0.69 -0.44 -0.96 0.00 -1.00 -1.99 0.15 116.94 113.38 1wee h PHE 61 Ca -0.40 0.07 0.23 0.00 2.81 0.00 0.00 57.97 60.68 1wee h PHE 61 Cb 1.41 0.31 -0.18 0.00 3.61 0.00 0.00 35.95 41.10 1wee h PHE 61 CO 0.35 -0.34 -0.07 0.00 -1.61 0.00 0.00 178.31 176.64 1wee h ARG 62 N -0.01 0.01 0.21 1.51 2.47 -2.00 -0.66 114.38 115.92 1wee h ARG 62 Ca 0.36 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.07 1wee h ARG 62 Cb 0.56 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 1wee h ARG 62 CO -0.79 0.01 -0.10 0.00 0.56 0.00 0.00 179.97 179.64 1wee n ILE 64 N -4.97 -0.32 0.09 0.00 5.41 -0.35 0.22 119.36 119.43 1wee n ILE 64 Ca -0.08 1.68 -0.14 0.00 1.00 0.00 0.00 62.75 65.22 1wee n ILE 64 Cb 0.26 -2.49 -0.14 0.00 -0.71 0.00 0.00 39.64 36.56 1wee n ILE 64 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1wee h GLU 65 N 0.00 0.20 -0.94 0.38 3.07 -1.36 -3.29 114.58 112.64 1wee h GLU 65 Ca 0.49 -0.34 0.08 0.00 -0.50 0.00 0.00 59.36 59.09 1wee h GLU 65 Cb 1.06 0.13 -0.07 0.00 -0.84 0.00 0.00 28.75 29.04 1wee h GLU 65 CO -0.71 1.14 0.61 1.25 -1.40 0.00 0.00 179.01 179.90 1wee h LEU 66 N 0.05 0.92 -8.37 1.33 6.46 0.35 -3.42 115.31 112.62 1wee h LEU 66 Ca -0.12 0.02 -0.77 0.00 -0.12 0.00 0.00 57.88 56.89 1wee h LEU 66 Cb 1.93 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 41.67 1wee h LEU 66 CO 0.18 0.56 1.20 -1.54 -0.62 0.00 0.00 178.44 178.22 1wee n SER 67 N -4.52 1.25 0.00 1.25 3.41 0.03 -3.36 113.62 111.68 1wee n SER 67 Ca 0.15 0.75 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 1wee n SER 67 Cb 0.25 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 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 6.44 1.39 3.73 5.00 0.00 -1.26 -5.07 105.19 115.42 1wee n GLY 68 Ca 0.46 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 1.41 -0.26 1.61 0.04 -1.21 -5.08 135.00 131.51 1wee s PRO 69 Ca 0.00 0.87 -0.06 0.00 0.04 0.00 0.00 61.00 61.85 1wee s PRO 69 Cb 0.00 -1.82 0.13 0.00 0.04 0.00 0.00 34.50 32.85 1wee s PRO 69 CO 0.00 -2.15 0.53 0.45 0.04 0.00 0.00 177.00 175.87 1wee s SER 70 N -3.42 -0.73 0.08 6.66 0.15 -1.26 -4.99 113.70 110.19 1wee s SER 70 Ca 0.63 1.09 -0.23 0.00 0.70 0.00 0.00 55.95 58.13 1wee s SER 70 Cb -0.18 1.83 -0.15 0.00 -1.71 0.00 0.00 66.02 65.81 1wee s SER 70 CO 0.57 -0.24 1.71 -1.28 1.20 0.00 0.00 173.24 175.20 1wee h SER 71 N 8.08 -0.01 0.00 5.45 0.87 -1.99 -3.56 113.55 122.38 1wee h SER 71 Ca -0.18 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1wee h SER 71 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1wee h SER 71 CO 0.16 0.02 0.00 0.61 -0.53 0.00 0.00 176.83 177.09