#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 -0.08 -0.30 1.61 0.01 -1.26 -5.17 113.70 108.51 1wee s SER 2 Ca 0.00 -0.87 -0.09 0.00 1.31 0.00 0.00 55.95 56.30 1wee s SER 2 Cb 0.00 0.74 0.14 0.00 0.21 0.00 0.00 66.02 67.11 1wee s SER 2 CO 0.00 -1.42 0.64 -0.55 0.41 0.00 0.00 173.24 172.32 1wee s SER 3 N -3.00 -1.17 -0.23 2.44 0.15 -1.26 -5.15 113.70 105.49 1wee s SER 3 Ca 0.15 1.46 -0.10 0.00 0.70 0.00 0.00 55.95 58.15 1wee s SER 3 Cb -0.05 2.27 0.09 0.00 -1.71 0.00 0.00 66.02 66.62 1wee s SER 3 CO 0.09 -0.23 0.52 -0.83 1.20 0.00 0.00 173.24 174.00 1wee s GLY 4 N 2.89 -0.48 -0.04 9.45 0.00 -1.26 -5.16 107.32 112.72 1wee s GLY 4 Ca -0.02 1.89 -0.03 0.00 0.00 0.00 0.00 44.72 46.56 1wee s GLY 4 CO -0.19 2.32 0.10 -1.35 0.00 0.00 0.00 173.10 173.97 1wee s SER 5 N 2.08 -0.08 0.42 1.64 1.04 -1.26 -5.17 113.70 112.37 1wee s SER 5 Ca -0.07 0.20 0.04 0.00 0.48 0.00 0.00 55.95 56.59 1wee s SER 5 Cb -0.09 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 1wee s SER 5 CO -0.16 -0.07 0.05 -0.44 0.98 0.00 0.00 173.24 173.61 1wee s SER 6 N 0.39 3.30 0.00 7.02 0.01 -1.26 -5.07 113.70 118.10 1wee s SER 6 Ca -0.03 -1.54 0.00 0.00 1.31 0.00 0.00 55.95 55.69 1wee s SER 6 Cb -0.04 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1wee s SER 6 CO -0.02 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.50 1wee n GLY 7 N -0.98 -0.60 4.42 3.44 0.00 -1.26 -5.03 105.19 105.19 1wee n GLY 7 Ca -0.09 0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1wee n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wee n MET 8 N -2.48 -1.58 -3.78 1.61 2.81 -1.26 -4.89 117.12 107.55 1wee n MET 8 Ca 0.00 0.22 -0.37 0.00 -1.81 0.00 0.00 57.70 55.74 1wee n MET 8 Cb 0.00 -4.79 -0.13 0.00 -0.71 0.00 0.00 33.22 27.60 1wee n MET 8 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1wee s GLU 9 N -7.14 2.57 -0.73 0.03 -1.05 -1.26 -5.05 118.70 106.07 1wee s GLU 9 Ca 0.75 -1.21 -0.17 0.00 -0.15 0.00 0.00 54.97 54.20 1wee s GLU 9 Cb -0.43 -3.41 0.16 0.00 -0.44 0.00 0.00 34.13 30.00 1wee s GLU 9 CO 0.99 -0.67 0.77 1.03 0.95 0.00 0.00 175.26 178.33 1wee s ARG 10 N 1.37 3.35 0.11 -4.83 1.81 -1.26 -5.03 118.95 114.46 1wee s ARG 10 Ca -0.02 -1.90 0.08 0.00 -1.72 0.00 0.00 55.73 52.17 1wee s ARG 10 Cb -0.20 -4.45 -0.04 0.00 -0.45 0.00 0.00 34.95 29.82 1wee s ARG 10 CO 0.02 -1.45 -0.17 0.20 -0.68 0.00 0.00 175.30 173.22 1wee s GLY 11 N 3.07 1.70 -0.07 -3.53 0.00 -1.26 -4.80 107.32 102.43 1wee s GLY 11 Ca 0.16 -1.31 -0.29 0.00 0.00 0.00 0.00 44.72 43.27 1wee s GLY 11 CO -0.03 -1.28 1.97 0.14 0.00 0.00 0.00 173.10 173.90 1wee s VAL 12 N -1.13 3.14 0.04 1.40 1.01 -1.26 -4.90 120.40 118.70 1wee s VAL 12 Ca 0.18 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.04 1wee s VAL 12 Cb -0.11 -3.13 -0.17 0.00 0.00 0.00 0.00 36.38 32.97 1wee s VAL 12 CO 0.10 -0.04 1.40 -0.78 0.00 0.00 0.00 175.10 175.78 1wee h ASP 13 N 11.74 -0.56 -0.43 3.32 1.82 -2.00 -2.92 116.42 127.39 1wee h ASP 13 Ca -0.45 -0.05 0.09 0.00 -0.39 0.00 0.00 57.03 56.23 1wee h ASP 13 Cb 1.22 0.15 -0.09 0.00 0.68 0.00 0.00 39.33 41.28 1wee h ASP 13 CO 0.95 -0.28 -0.29 0.78 -1.61 0.00 0.00 179.24 178.80 1wee h ASN 14 N -0.84 -0.98 -4.16 2.28 4.21 -2.03 -3.27 115.58 110.79 1wee h ASN 14 Ca -0.07 0.19 -0.69 0.00 1.21 0.00 0.00 56.30 56.94 1wee h ASN 14 Cb 0.58 0.48 -0.36 0.00 -1.12 0.00 0.00 38.32 37.90 1wee h ASN 14 CO 0.11 -0.30 -0.39 0.26 -1.29 0.00 0.00 177.43 175.82 1wee s TRP 15 N -6.04 3.39 -0.52 1.19 0.23 -1.21 -5.04 118.94 110.94 1wee s TRP 15 Ca -0.15 -2.83 -0.28 0.00 -2.03 0.00 0.00 56.10 50.82 1wee s TRP 15 Cb 0.14 -3.13 -0.09 0.00 0.03 0.00 0.00 33.47 30.42 1wee s TRP 15 CO 0.69 -0.81 2.41 1.63 0.96 0.00 0.00 176.95 181.83 1wee n LYS 16 N 3.31 1.01 -3.19 4.98 5.02 -1.11 -4.42 118.16 123.76 1wee n LYS 16 Ca 0.08 0.09 -0.46 0.00 -2.02 0.00 0.00 58.31 56.01 1wee n LYS 16 Cb 0.37 -3.04 -0.02 0.00 -0.02 0.00 0.00 35.03 32.32 1wee n LYS 16 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wee s VAL 17 N 10.79 5.39 0.03 -0.18 1.01 -1.26 -2.03 120.40 134.14 1wee s VAL 17 Ca 1.05 -2.37 0.08 0.00 0.00 0.00 0.00 61.98 60.74 1wee s VAL 17 Cb -0.42 -4.61 -0.02 0.00 0.00 0.00 0.00 36.38 31.33 1wee s VAL 17 CO 0.33 -1.23 -0.23 -1.81 0.00 0.00 0.00 175.10 172.16 1wee s ASP 18 N 2.49 2.74 0.28 3.32 1.11 -1.24 -4.53 116.67 120.85 1wee s ASP 18 Ca 0.26 -0.51 -0.01 0.00 0.18 0.00 0.00 52.55 52.47 1wee s ASP 18 Cb -0.08 -0.26 -0.02 0.00 1.07 0.00 0.00 42.92 43.63 1wee s ASP 18 CO -0.08 0.23 0.31 0.00 1.18 0.00 0.00 175.17 176.81 1wee n LYS 20 N -0.46 0.68 -0.19 0.00 -0.00 -1.26 -4.20 118.16 112.73 1wee n LYS 20 Ca 0.03 0.29 -0.00 0.00 -0.00 0.00 0.00 58.31 58.62 1wee n LYS 20 Cb 0.63 -1.77 0.10 0.00 -0.00 0.00 0.00 35.03 33.99 1wee n LYS 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wee n GLY 22 N -1.30 0.62 3.64 0.00 0.00 -1.26 -5.15 105.19 101.73 1wee n GLY 22 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.97 4.23 -0.07 2.61 2.01 -1.26 -4.98 115.64 117.20 1wee s THR 23 Ca 0.00 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.77 1wee s THR 23 Cb 0.00 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 1wee s THR 23 CO 0.00 0.57 0.10 2.29 -0.69 0.00 0.00 174.62 176.89 1wee n LYS 24 N 2.54 2.85 -4.18 4.92 -0.00 -1.26 -3.90 118.16 119.12 1wee n LYS 24 Ca -0.18 -0.02 -0.14 0.00 -0.00 0.00 0.00 58.31 57.97 1wee n LYS 24 Cb 0.53 -0.88 -0.11 0.00 -0.00 0.00 0.00 35.03 34.58 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 -1.87 1.47 -0.52 -5.58 2.15 -1.26 -4.57 116.67 106.49 1wee s ASP 25 Ca -0.00 -0.82 -0.27 0.00 0.43 0.00 0.00 52.55 51.89 1wee s ASP 25 Cb 0.02 0.01 -0.03 0.00 -0.30 0.00 0.00 42.92 42.62 1wee s ASP 25 CO 0.13 -0.26 1.92 -0.62 -0.17 0.00 0.00 175.17 176.17 1wee s ASP 26 N -2.47 5.33 -0.17 -0.34 -1.08 -1.26 -4.84 116.67 111.84 1wee s ASP 26 Ca 0.06 0.71 -0.01 0.00 -0.52 0.00 0.00 52.55 52.79 1wee s ASP 26 Cb -0.03 -2.52 0.10 0.00 -1.46 0.00 0.00 42.92 39.01 1wee s ASP 26 CO 0.00 -2.26 2.06 -0.67 0.52 0.00 0.00 175.17 174.82 1wee n ASP 27 N 12.50 5.94 -3.11 -0.34 2.03 -1.26 -4.73 116.55 127.59 1wee n ASP 27 Ca 0.23 -2.76 -0.19 0.00 0.52 0.00 0.00 54.79 52.59 1wee n ASP 27 Cb 0.51 -1.10 0.07 0.00 -0.72 0.00 0.00 41.12 39.88 1wee n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wee n GLY 28 N 0.93 -0.30 3.11 0.27 0.00 -1.26 -5.02 105.19 102.92 1wee n GLY 28 Ca 0.17 0.09 -0.19 0.00 0.00 0.00 0.00 46.02 46.09 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 -5.92 0.88 0.71 1.61 2.02 -1.26 -5.14 118.70 111.60 1wee s GLU 29 Ca 0.40 -0.67 -0.16 0.00 0.02 0.00 0.00 54.97 54.56 1wee s GLU 29 Cb -0.18 -0.86 0.03 0.00 0.10 0.00 0.00 34.13 33.21 1wee s GLU 29 CO 0.62 0.22 1.22 0.50 0.02 0.00 0.00 175.26 177.84 1wee s ARG 30 N -0.96 2.27 0.24 1.61 6.06 -1.26 -5.01 118.95 121.89 1wee s ARG 30 Ca 0.01 1.82 -0.17 0.00 -2.50 0.00 0.00 55.73 54.89 1wee s ARG 30 Cb -0.07 -1.84 0.01 0.00 0.06 0.00 0.00 34.95 33.11 1wee s ARG 30 CO 0.01 -1.75 0.56 -1.64 -2.50 0.00 0.00 175.30 169.97 1wee s MET 31 N -3.78 1.54 -0.08 5.12 -1.94 -1.26 -3.36 119.30 115.55 1wee s MET 31 Ca 0.76 -1.04 -0.04 0.00 -1.71 0.00 0.00 55.69 53.66 1wee s MET 31 Cb -0.31 0.52 0.04 0.00 2.01 0.00 0.00 34.83 37.10 1wee s MET 31 CO 0.43 -0.67 0.18 -0.48 -0.01 0.00 0.00 175.02 174.47 1wee s LEU 32 N -2.94 0.69 0.25 -0.03 2.34 -0.20 -4.84 118.68 113.94 1wee s LEU 32 Ca 0.14 0.37 -0.27 0.00 0.06 0.00 0.00 54.13 54.43 1wee s LEU 32 Cb -0.02 0.48 -0.09 0.00 -0.56 0.00 0.00 46.19 46.00 1wee s LEU 32 CO 0.04 -0.15 0.89 0.00 -1.06 0.00 0.00 176.35 176.08 1wee s ALA 33 N 1.11 3.33 -0.55 1.48 0.00 -1.26 0.17 121.76 126.05 1wee s ALA 33 Ca -0.08 0.51 -0.27 0.00 0.00 0.00 0.00 51.96 52.11 1wee s ALA 33 Cb -0.10 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 1wee s ALA 33 CO -0.06 0.23 1.68 0.00 0.00 0.00 0.00 175.76 177.60 1wee n ASP 35 N 11.08 0.14 0.00 0.00 8.00 -1.19 0.04 116.55 134.62 1wee n ASP 35 Ca 0.17 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.80 1wee n ASP 35 Cb 0.50 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1wee n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wee n GLY 36 N -1.23 -2.54 0.11 0.44 0.00 -1.26 -4.57 105.19 96.14 1wee n GLY 36 Ca 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.21 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 1.05 0.68 3.48 0.00 0.00 0.11 -4.94 105.19 105.56 1wee n GLY 38 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.27 4.35 0.01 1.61 1.01 -1.26 -4.38 120.40 120.47 1wee s VAL 39 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1wee s VAL 39 Cb 0.00 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.31 1wee s VAL 39 CO 0.00 0.37 1.40 0.26 0.00 0.00 0.00 175.10 177.13 1wee s TRP 40 N 1.31 2.89 0.03 5.22 0.52 -0.86 -1.58 118.94 126.46 1wee s TRP 40 Ca 0.05 0.83 0.07 0.00 0.02 0.00 0.00 56.10 57.07 1wee s TRP 40 Cb -0.15 -3.66 -0.03 0.00 -1.15 0.00 0.00 33.47 28.48 1wee s TRP 40 CO 0.03 -2.44 -0.20 -1.01 0.02 0.00 0.00 176.95 173.36 1wee s HIS 41 N 2.28 2.51 -0.52 -1.98 3.76 0.13 -3.62 115.29 117.85 1wee s HIS 41 Ca 0.64 -0.29 -0.27 0.00 -0.15 0.00 0.00 55.06 54.99 1wee s HIS 41 Cb -0.32 -1.47 -0.03 0.00 1.11 0.00 0.00 32.58 31.88 1wee s HIS 41 CO 0.27 0.20 1.90 -1.01 -0.85 0.00 0.00 174.74 175.24 1wee s HIS 42 N -0.86 1.65 0.30 1.40 3.76 -1.26 -1.04 115.29 119.24 1wee s HIS 42 Ca 0.13 0.82 0.07 0.00 -0.15 0.00 0.00 55.06 55.94 1wee s HIS 42 Cb -0.10 -4.05 0.86 0.00 1.11 0.00 0.00 32.58 30.40 1wee s HIS 42 CO 0.04 -2.51 1.46 0.25 -0.85 0.00 0.00 174.74 173.12 1wee n THR 43 N 7.35 -0.39 -0.12 1.30 -2.24 -1.21 0.13 114.28 119.09 1wee n THR 43 Ca 0.23 1.99 -0.10 0.00 -2.27 0.00 0.00 64.05 63.90 1wee n THR 43 Cb 0.51 -3.00 -0.02 0.00 -2.10 0.00 0.00 70.33 65.72 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 0.56 -0.13 -0.78 0.11 -1.84 0.13 114.38 112.42 1wee h ARG 44 Ca 0.63 -0.13 0.04 0.00 0.10 0.00 0.00 59.98 60.61 1wee h ARG 44 Cb 1.42 -0.08 -0.04 0.00 1.11 0.00 0.00 29.97 32.39 1wee h ARG 44 CO -0.83 0.60 -0.10 0.00 0.10 0.00 0.00 179.97 179.74 1wee h ILE 46 N -0.11 0.50 0.00 0.00 3.07 -1.16 -3.46 117.51 116.36 1wee h ILE 46 Ca 0.08 -0.16 0.00 0.00 1.55 0.00 0.00 64.86 66.33 1wee h ILE 46 Cb 0.23 1.11 0.00 0.00 -0.27 0.00 0.00 36.82 37.89 1wee h ILE 46 CO -0.20 0.04 0.00 0.61 -1.05 0.00 0.00 178.15 177.55 1wee n GLY 47 N -1.11 4.54 2.17 0.16 0.00 -0.26 -5.11 105.19 105.58 1wee n GLY 47 Ca -0.03 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 -4.46 -0.61 2.08 0.38 -4.79 119.36 111.96 1wee n ILE 48 Ca 0.00 -0.34 -0.24 0.00 0.56 0.00 0.00 62.75 62.73 1wee n ILE 48 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 38.81 1wee n ILE 48 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1wee s ASN 49 N -0.67 2.50 0.31 4.38 0.01 -1.26 -3.82 114.94 116.39 1wee s ASN 49 Ca 0.37 -1.68 0.13 0.00 -0.71 0.00 0.00 52.86 50.97 1wee s ASN 49 Cb -0.32 0.51 0.48 0.00 0.41 0.00 0.00 41.25 42.33 1wee s ASN 49 CO 0.45 -0.95 1.67 0.78 -1.51 0.00 0.00 177.10 177.53 1wee h ASN 50 N 1.88 0.00 -0.24 -1.22 4.21 -1.99 -3.12 115.58 115.10 1wee h ASN 50 Ca -0.33 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.02 1wee h ASN 50 Cb 1.26 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 38.39 1wee h ASN 50 CO 0.53 0.53 0.20 0.00 -1.29 0.00 0.00 177.43 177.40 1wee n ALA 51 N -2.39 4.32 -3.62 -0.83 0.00 -1.26 -4.79 120.51 111.94 1wee n ALA 51 Ca -0.01 -0.81 -0.07 0.00 0.00 0.00 0.00 53.44 52.55 1wee n ALA 51 Cb 0.57 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 1wee n ALA 51 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1wee s ASP 52 N 0.96 -0.28 0.96 0.00 -4.77 -1.18 -5.18 116.67 107.18 1wee s ASP 52 Ca 0.15 0.41 -0.10 0.00 -3.30 0.00 0.00 52.55 49.72 1wee s ASP 52 Cb 0.12 0.37 0.14 0.00 -1.09 0.00 0.00 42.92 42.47 1wee s ASP 52 CO 0.00 -0.18 0.84 0.00 0.70 0.00 0.00 175.17 176.53 1wee n ALA 53 N 1.23 -0.87 -2.47 2.11 0.00 -1.26 -4.62 120.51 114.63 1wee n ALA 53 Ca -0.09 -1.14 -0.33 0.00 0.00 0.00 0.00 53.44 51.87 1wee n ALA 53 Cb 0.57 -0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 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 4.27 0.66 0.00 1.02 -1.26 -4.90 118.68 118.47 1wee s LEU 54 Ca 0.48 0.89 -0.15 0.00 0.02 0.00 0.00 54.13 55.38 1wee s LEU 54 Cb -0.01 -3.36 0.00 0.00 0.02 0.00 0.00 46.19 42.84 1wee s LEU 54 CO 0.34 0.05 1.11 -2.16 0.02 0.00 0.00 176.35 175.71 1wee s PRO 55 N -2.35 2.79 0.13 1.29 0.04 -1.26 -4.97 135.00 130.67 1wee s PRO 55 Ca 0.41 1.39 -0.11 0.00 0.04 0.00 0.00 61.00 62.72 1wee s PRO 55 Cb -0.13 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1wee s PRO 55 CO 0.20 -1.26 1.41 1.03 0.04 0.00 0.00 177.00 178.43 1wee h SER 56 N 0.01 0.98 -3.50 6.66 0.87 -2.04 -3.44 113.55 113.09 1wee h SER 56 Ca -0.47 -0.52 -0.34 0.00 -1.23 0.00 0.00 61.79 59.23 1wee h SER 56 Cb 1.25 -0.28 -0.34 0.00 -0.44 0.00 0.00 62.40 62.59 1wee h SER 56 CO 0.54 1.32 -0.75 -1.59 -0.53 0.00 0.00 176.83 175.83 1wee s LYS 57 N -4.15 0.29 -0.02 2.24 -2.85 -1.26 -5.05 119.74 108.94 1wee s LYS 57 Ca -0.11 0.08 0.01 0.00 -1.00 0.00 0.00 55.97 54.95 1wee s LYS 57 Cb 0.10 -0.47 0.01 0.00 -2.06 0.00 0.00 37.83 35.42 1wee s LYS 57 CO 0.89 -0.13 -0.02 0.12 0.10 0.00 0.00 175.35 176.30 1wee s PHE 58 N 1.00 0.37 -0.06 1.78 5.36 -1.26 -5.08 117.98 120.09 1wee s PHE 58 Ca -0.10 -0.05 0.03 0.00 -0.96 0.00 0.00 56.93 55.85 1wee s PHE 58 Cb -0.14 -0.35 -0.02 0.00 -0.34 0.00 0.00 43.02 42.18 1wee s PHE 58 CO -0.02 -0.08 -0.15 -0.51 -1.46 0.00 0.00 175.22 173.01 1wee s LEU 59 N 0.47 2.69 0.89 6.12 1.43 -1.26 -3.20 118.68 125.83 1wee s LEU 59 Ca -0.05 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 1wee s LEU 59 Cb -0.08 -1.55 0.13 0.00 0.03 0.00 0.00 46.19 44.72 1wee s LEU 59 CO -0.01 0.31 1.09 0.00 0.23 0.00 0.00 176.35 177.97 1wee h PHE 61 N -1.58 0.50 -0.41 0.00 -0.00 -2.00 0.22 116.94 113.67 1wee h PHE 61 Ca -0.49 0.02 -0.13 0.00 -0.00 0.00 0.00 57.97 57.37 1wee h PHE 61 Cb 1.28 -0.15 -0.01 0.00 -0.00 0.00 0.00 35.95 37.07 1wee h PHE 61 CO 0.45 0.07 -0.25 -0.09 -0.00 0.00 0.00 178.31 178.49 1wee h ARG 62 N 0.32 0.89 0.00 6.09 2.43 -2.02 -2.65 114.38 119.43 1wee h ARG 62 Ca 0.55 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1wee h ARG 62 Cb 1.55 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.09 1wee h ARG 62 CO -0.21 1.06 0.00 0.00 -1.51 0.00 0.00 179.97 179.31 1wee h ILE 64 N 0.00 1.26 0.04 0.00 1.08 -1.03 -1.62 117.51 117.24 1wee h ILE 64 Ca 0.00 -1.03 -0.36 0.00 -0.39 0.00 0.00 64.86 63.08 1wee h ILE 64 Cb 0.26 0.97 -0.05 0.00 -3.07 0.00 0.00 36.82 34.94 1wee h ILE 64 CO 0.00 0.36 -2.17 -1.84 -0.69 0.00 0.00 178.15 173.81 1wee n GLU 65 N -4.36 0.69 -0.28 2.37 0.28 -1.04 -4.33 120.64 113.97 1wee n GLU 65 Ca 0.01 0.18 -0.05 0.00 -0.16 0.00 0.00 57.16 57.14 1wee n GLU 65 Cb 0.30 -1.63 0.06 0.00 1.43 0.00 0.00 31.44 31.60 1wee n GLU 65 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1wee h LEU 66 N 0.02 0.90 -0.75 -1.84 5.85 -1.16 -2.75 115.31 115.58 1wee h LEU 66 Ca -0.47 -0.05 0.30 0.00 0.84 0.00 0.00 57.88 58.49 1wee h LEU 66 Cb 2.03 -0.23 -0.14 0.00 0.37 0.00 0.00 40.66 42.70 1wee h LEU 66 CO 0.02 0.69 0.33 -0.24 -0.34 0.00 0.00 178.44 178.90 1wee n SER 67 N -4.51 0.20 -4.27 1.25 2.88 -0.61 -4.50 113.62 104.06 1wee n SER 67 Ca 0.07 1.25 -0.36 0.00 -1.33 0.00 0.00 58.87 58.51 1wee n SER 67 Cb 0.05 -0.58 0.06 0.00 -0.75 0.00 0.00 64.21 62.98 1wee n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wee n GLY 68 N -1.23 -2.94 0.00 0.46 0.00 -1.04 -4.79 105.19 95.65 1wee n GLY 68 Ca 0.27 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 0.50 0.38 -4.04 1.61 -0.04 -1.26 -4.86 135.00 127.29 1wee n PRO 69 Ca 0.05 0.06 -0.32 0.00 -0.04 0.00 0.00 63.50 63.25 1wee n PRO 69 Cb 0.52 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.11 -3.35 -0.36 3.54 7.64 -1.26 -4.82 113.62 113.90 1wee n SER 70 Ca 0.10 -0.91 0.05 0.00 1.01 0.00 0.00 58.87 59.11 1wee n SER 70 Cb 0.08 -3.30 0.12 0.00 -1.01 0.00 0.00 64.21 60.10 1wee n SER 70 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wee h SER 71 N -1.80 -0.98 0.00 6.43 0.02 -2.00 -3.56 113.55 111.67 1wee h SER 71 Ca -0.59 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1wee h SER 71 Cb 1.38 0.63 0.00 0.00 0.14 0.00 0.00 62.40 64.55 1wee h SER 71 CO 0.71 -0.32 0.00 0.61 -1.14 0.00 0.00 176.83 176.69