#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 -0.67 0.49 1.61 0.15 -1.26 -5.18 113.70 108.85 1wee s SER 2 Ca 0.00 1.15 0.06 0.00 0.70 0.00 0.00 55.95 57.86 1wee s SER 2 Cb 0.00 1.07 0.00 0.00 -1.71 0.00 0.00 66.02 65.38 1wee s SER 2 CO 0.00 -0.21 0.31 -0.44 1.20 0.00 0.00 173.24 174.10 1wee s SER 3 N 1.11 4.61 -0.39 5.45 0.01 -1.26 -5.09 113.70 118.13 1wee s SER 3 Ca -0.07 -1.15 0.10 0.00 1.31 0.00 0.00 55.95 56.15 1wee s SER 3 Cb -0.06 0.03 0.34 0.00 0.21 0.00 0.00 66.02 66.55 1wee s SER 3 CO -0.11 -0.87 0.85 0.61 0.41 0.00 0.00 173.24 174.14 1wee n GLY 4 N -1.55 2.69 3.81 3.44 0.00 -1.26 -5.13 105.19 107.18 1wee n GLY 4 Ca -0.02 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 1wee n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wee s SER 5 N -2.11 4.82 0.16 1.61 0.15 -1.26 -4.97 113.70 112.11 1wee s SER 5 Ca 0.34 1.45 -0.32 0.00 0.70 0.00 0.00 55.95 58.13 1wee s SER 5 Cb 0.34 -2.24 -0.10 0.00 -1.71 0.00 0.00 66.02 62.31 1wee s SER 5 CO -0.07 -1.78 1.61 -0.55 1.20 0.00 0.00 173.24 173.65 1wee s SER 6 N -3.83 6.55 0.00 5.45 0.15 -1.26 -4.94 113.70 115.81 1wee s SER 6 Ca 0.60 2.65 0.00 0.00 0.70 0.00 0.00 55.95 59.90 1wee s SER 6 Cb -0.14 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 1wee s SER 6 CO 0.55 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1wee n GLY 7 N 3.83 0.08 3.31 9.45 0.00 -1.26 -5.08 105.19 115.53 1wee n GLY 7 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1wee n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wee s MET 8 N 0.00 2.45 -1.10 1.61 -1.94 -1.26 -5.07 119.30 113.99 1wee s MET 8 Ca 0.00 -0.88 -0.13 0.00 -1.71 0.00 0.00 55.69 52.98 1wee s MET 8 Cb 0.00 -2.17 0.21 0.00 2.01 0.00 0.00 34.83 34.88 1wee s MET 8 CO 0.00 0.46 1.20 -1.83 -0.01 0.00 0.00 175.02 174.84 1wee s GLU 9 N -0.35 4.02 0.02 2.03 -1.05 -1.26 -4.99 118.70 117.12 1wee s GLU 9 Ca 0.02 -2.71 0.06 0.00 -0.15 0.00 0.00 54.97 52.19 1wee s GLU 9 Cb -0.12 -4.78 -0.02 0.00 -0.44 0.00 0.00 34.13 28.76 1wee s GLU 9 CO 0.02 -1.52 -0.17 1.03 0.95 0.00 0.00 175.26 175.57 1wee s ARG 10 N 0.48 1.21 -0.22 -4.83 3.00 -1.26 -5.13 118.95 112.20 1wee s ARG 10 Ca 0.34 -0.75 -0.03 0.00 0.00 0.00 0.00 55.73 55.29 1wee s ARG 10 Cb -0.07 -1.24 0.00 0.00 0.00 0.00 0.00 34.95 33.65 1wee s ARG 10 CO -0.05 0.32 -0.07 0.20 0.00 0.00 0.00 175.30 175.70 1wee s GLY 11 N -0.88 1.57 0.29 -3.53 0.00 -1.26 -4.99 107.32 98.52 1wee s GLY 11 Ca 0.05 -1.21 0.04 0.00 0.00 0.00 0.00 44.72 43.60 1wee s GLY 11 CO 0.01 0.41 1.68 -0.24 0.00 0.00 0.00 173.10 174.96 1wee h VAL 12 N 5.79 0.43 -1.79 1.40 3.04 -1.91 -3.45 116.25 119.76 1wee h VAL 12 Ca -0.41 -0.12 0.30 0.00 -1.01 0.00 0.00 66.70 65.45 1wee h VAL 12 Cb 1.15 0.05 -0.10 0.00 -2.01 0.00 0.00 31.29 30.38 1wee h VAL 12 CO 0.61 0.06 0.78 1.51 -1.01 0.00 0.00 177.57 179.52 1wee s ASP 13 N -5.14 -0.05 0.18 3.17 1.47 -1.26 -5.03 116.67 110.00 1wee s ASP 13 Ca -0.12 -0.23 -0.13 0.00 1.18 0.00 0.00 52.55 53.25 1wee s ASP 13 Cb 0.26 0.23 0.19 0.00 -0.34 0.00 0.00 42.92 43.26 1wee s ASP 13 CO 0.78 -0.44 1.17 -3.20 0.68 0.00 0.00 175.17 174.15 1wee n ASN 14 N -0.67 -0.48 -4.66 2.11 5.15 -1.26 -3.90 115.26 111.55 1wee n ASN 14 Ca -0.05 1.31 -0.43 0.00 -0.60 0.00 0.00 54.58 54.81 1wee n ASN 14 Cb 0.61 -0.31 -0.03 0.00 -0.53 0.00 0.00 39.78 39.53 1wee n ASN 14 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1wee s TRP 15 N -5.72 3.35 -0.92 1.20 0.52 -1.26 -4.96 118.94 111.15 1wee s TRP 15 Ca -0.10 1.40 -0.24 0.00 0.02 0.00 0.00 56.10 57.17 1wee s TRP 15 Cb 0.16 -3.21 -0.04 0.00 -1.15 0.00 0.00 33.47 29.23 1wee s TRP 15 CO 0.54 -0.44 1.90 0.15 0.02 0.00 0.00 176.95 179.12 1wee s LYS 16 N 3.01 2.65 0.33 4.98 1.02 -1.24 -4.75 119.74 125.74 1wee s LYS 16 Ca 0.42 -0.37 0.17 0.00 0.02 0.00 0.00 55.97 56.21 1wee s LYS 16 Cb -0.15 -5.09 0.34 0.00 -0.52 0.00 0.00 37.83 32.41 1wee s LYS 16 CO 0.07 -3.27 1.57 0.28 -0.92 0.00 0.00 175.35 173.08 1wee h VAL 17 N 7.21 0.80 -1.40 3.17 2.07 -1.84 0.14 116.25 126.41 1wee h VAL 17 Ca 0.11 -1.87 -0.66 0.00 0.82 0.00 0.00 66.70 65.10 1wee h VAL 17 Cb 1.00 2.20 0.11 0.00 -1.52 0.00 0.00 31.29 33.09 1wee h VAL 17 CO 1.23 0.41 -0.33 -0.67 0.02 0.00 0.00 177.57 178.24 1wee n ASP 18 N -3.31 -0.50 -4.44 0.57 2.03 -1.22 -4.59 116.55 105.08 1wee n ASP 18 Ca 0.01 1.14 -0.26 0.00 0.52 0.00 0.00 54.79 56.20 1wee n ASP 18 Cb 0.63 -1.04 -0.09 0.00 -0.72 0.00 0.00 41.12 39.90 1wee n ASP 18 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wee h LYS 20 N 1.80 0.22 -0.19 0.00 2.10 -1.94 -3.32 116.57 115.25 1wee h LYS 20 Ca -0.40 -0.34 0.00 0.00 -2.00 0.00 0.00 60.65 57.91 1wee h LYS 20 Cb 1.27 0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.71 1wee h LYS 20 CO 0.68 1.13 0.13 0.00 -2.00 0.00 0.00 179.45 179.39 1wee n GLY 22 N -1.15 0.87 3.54 0.00 0.00 -1.25 -5.11 105.19 102.10 1wee n GLY 22 Ca -0.03 -0.02 -0.48 0.00 0.00 0.00 0.00 46.02 45.49 1wee n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wee n THR 23 N 0.00 0.31 -0.08 2.61 -1.04 -1.26 -4.76 114.28 110.06 1wee n THR 23 Ca 0.00 -0.30 -0.20 0.00 -2.04 0.00 0.00 64.05 61.51 1wee n THR 23 Cb 0.00 -2.00 -0.13 0.00 -1.82 0.00 0.00 70.33 66.38 1wee n THR 23 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1wee n LYS 24 N 8.13 0.69 -3.56 -2.82 2.85 -1.26 -1.71 118.16 120.47 1wee n LYS 24 Ca 0.34 0.21 -0.23 0.00 -1.05 0.00 0.00 58.31 57.58 1wee n LYS 24 Cb 0.31 -1.60 0.02 0.00 -0.65 0.00 0.00 35.03 33.11 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 -6.78 4.83 -0.65 -5.58 1.47 -1.26 -3.46 116.67 105.25 1wee s ASP 25 Ca -0.30 -1.06 -0.26 0.00 1.18 0.00 0.00 52.55 52.10 1wee s ASP 25 Cb 0.08 0.29 0.04 0.00 -0.34 0.00 0.00 42.92 42.99 1wee s ASP 25 CO 0.66 -1.15 1.16 -1.81 0.68 0.00 0.00 175.17 174.71 1wee s ASP 26 N -4.40 6.29 -0.04 2.11 1.11 -1.26 -4.90 116.67 115.58 1wee s ASP 26 Ca 0.45 -0.30 -0.02 0.00 0.18 0.00 0.00 52.55 52.86 1wee s ASP 26 Cb -0.04 -2.52 -0.01 0.00 1.07 0.00 0.00 42.92 41.42 1wee s ASP 26 CO 0.28 -1.57 0.16 -0.78 1.18 0.00 0.00 175.17 174.43 1wee h ASP 27 N 9.70 -0.07 0.00 0.27 1.82 -1.98 -3.48 116.42 122.68 1wee h ASP 27 Ca -0.27 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.38 1wee h ASP 27 Cb 1.06 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.09 1wee h ASP 27 CO 1.21 0.16 0.00 0.61 -1.61 0.00 0.00 179.24 179.60 1wee n GLY 28 N 1.50 0.00 3.42 -0.78 0.00 -1.26 -5.17 105.19 102.90 1wee n GLY 28 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 1.58 0.17 1.61 2.02 -1.26 -5.13 118.70 117.69 1wee s GLU 29 Ca 0.00 -1.86 -0.30 0.00 0.02 0.00 0.00 54.97 52.83 1wee s GLU 29 Cb 0.00 -0.84 -0.07 0.00 0.10 0.00 0.00 34.13 33.32 1wee s GLU 29 CO 0.00 -0.15 0.98 0.50 0.02 0.00 0.00 175.26 176.61 1wee s ARG 30 N -3.87 4.74 0.09 1.61 3.52 -1.26 -5.05 118.95 118.73 1wee s ARG 30 Ca 0.35 1.51 -0.03 0.00 -0.13 0.00 0.00 55.73 57.43 1wee s ARG 30 Cb 0.08 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 30.11 1wee s ARG 30 CO 0.14 0.30 0.06 -1.64 -0.81 0.00 0.00 175.30 173.34 1wee s MET 31 N -0.49 0.79 -0.10 5.12 -1.94 -1.26 -2.37 119.30 119.05 1wee s MET 31 Ca 0.45 -1.25 -0.09 0.00 -1.71 0.00 0.00 55.69 53.09 1wee s MET 31 Cb -0.25 0.25 0.03 0.00 2.01 0.00 0.00 34.83 36.87 1wee s MET 31 CO 0.32 -0.21 0.26 -0.48 -0.01 0.00 0.00 175.02 174.90 1wee s LEU 32 N -2.96 0.95 0.42 -0.03 2.34 0.59 -4.85 118.68 115.14 1wee s LEU 32 Ca 0.13 0.53 -0.24 0.00 0.06 0.00 0.00 54.13 54.61 1wee s LEU 32 Cb 0.07 0.89 -0.08 0.00 -0.56 0.00 0.00 46.19 46.50 1wee s LEU 32 CO -0.05 -0.10 1.12 0.00 -1.06 0.00 0.00 176.35 176.26 1wee s ALA 33 N 0.23 3.07 -0.41 1.48 0.00 -1.26 -0.73 121.76 124.13 1wee s ALA 33 Ca -0.01 0.86 -0.15 0.00 0.00 0.00 0.00 51.96 52.66 1wee s ALA 33 Cb -0.02 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.78 1wee s ALA 33 CO -0.00 -0.45 0.30 0.00 0.00 0.00 0.00 175.76 175.61 1wee h ASP 35 N 8.63 0.24 0.00 0.00 1.82 -1.90 0.60 116.42 125.81 1wee h ASP 35 Ca -0.27 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.44 1wee h ASP 35 Cb 1.12 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.17 1wee h ASP 35 CO 0.74 -0.02 0.00 0.61 -1.61 0.00 0.00 179.24 178.96 1wee n GLY 36 N -1.60 -2.79 0.12 -0.78 0.00 -1.26 -4.43 105.19 94.46 1wee n GLY 36 Ca 0.30 0.24 -0.25 0.00 0.00 0.00 0.00 46.02 46.31 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 1.33 0.93 3.38 0.00 0.00 0.20 -5.00 105.19 106.04 1wee n GLY 38 Ca -0.44 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.59 2.63 -0.99 1.61 1.01 -1.25 -3.64 120.40 118.17 1wee s VAL 39 Ca 0.00 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 1wee s VAL 39 Cb 0.00 -2.00 0.08 0.00 0.00 0.00 0.00 36.38 34.46 1wee s VAL 39 CO 0.00 0.58 1.33 0.26 0.00 0.00 0.00 175.10 177.27 1wee s TRP 40 N -0.45 2.77 0.21 5.22 0.52 0.50 -0.82 118.94 126.90 1wee s TRP 40 Ca 0.05 -1.08 -0.12 0.00 0.02 0.00 0.00 56.10 54.97 1wee s TRP 40 Cb -0.12 -4.53 -0.07 0.00 -1.15 0.00 0.00 33.47 27.60 1wee s TRP 40 CO 0.01 -1.76 0.56 -1.01 0.02 0.00 0.00 176.95 174.78 1wee s HIS 41 N 4.04 3.49 0.13 -1.98 3.76 0.09 -4.55 115.29 120.27 1wee s HIS 41 Ca 0.41 0.97 -0.31 0.00 -0.15 0.00 0.00 55.06 55.98 1wee s HIS 41 Cb -0.02 -2.32 -0.08 0.00 1.11 0.00 0.00 32.58 31.26 1wee s HIS 41 CO -0.09 0.32 1.42 -1.01 -0.85 0.00 0.00 174.74 174.53 1wee s HIS 42 N -1.70 3.20 0.14 1.40 0.09 -1.26 -0.30 115.29 116.87 1wee s HIS 42 Ca 0.44 0.90 -0.24 0.00 -0.00 0.00 0.00 55.06 56.16 1wee s HIS 42 Cb -0.13 -3.73 0.00 0.00 -0.00 0.00 0.00 32.58 28.72 1wee s HIS 42 CO 0.20 -2.58 1.63 1.79 -0.00 0.00 0.00 174.74 175.77 1wee h THR 43 N 4.16 0.37 -0.84 1.30 1.35 -1.74 0.18 112.91 117.69 1wee h THR 43 Ca -0.42 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.41 1wee h THR 43 Cb 1.21 0.37 -0.04 0.00 -1.73 0.00 0.00 68.15 67.96 1wee h THR 43 CO 0.87 0.00 0.42 0.08 -0.25 0.00 0.00 175.52 176.63 1wee h ARG 44 N -0.31 1.21 -0.78 4.72 -0.00 -1.69 0.46 114.38 117.99 1wee h ARG 44 Ca 0.11 -0.17 -0.02 0.00 -0.00 0.00 0.00 59.98 59.90 1wee h ARG 44 Cb 0.48 -0.22 -0.04 0.00 -0.00 0.00 0.00 29.97 30.19 1wee h ARG 44 CO -0.35 0.92 0.42 0.00 -0.00 0.00 0.00 179.97 180.96 1wee h ILE 46 N 1.09 1.55 0.00 0.00 3.07 -0.22 -3.48 117.51 119.52 1wee h ILE 46 Ca 0.27 -3.12 0.00 0.00 1.55 0.00 0.00 64.86 63.57 1wee h ILE 46 Cb 0.04 2.89 0.00 0.00 -0.27 0.00 0.00 36.82 39.48 1wee h ILE 46 CO -0.04 0.90 0.00 0.61 -1.05 0.00 0.00 178.15 178.57 1wee n GLY 47 N 1.45 0.28 2.99 0.16 0.00 0.83 -5.08 105.19 105.82 1wee n GLY 47 Ca -0.06 -0.28 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.73 0.99 -0.61 1.01 0.12 -4.94 121.20 117.05 1wee s ILE 48 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.44 1wee s ILE 48 Cb 0.00 -0.90 0.18 0.00 0.01 0.00 0.00 42.46 41.76 1wee s ILE 48 CO 0.00 -0.11 1.10 0.20 0.00 0.00 0.00 174.94 176.13 1wee s ASN 49 N 2.64 2.72 -0.07 3.58 -0.87 -1.26 -2.16 114.94 119.52 1wee s ASN 49 Ca 0.14 1.12 -0.03 0.00 -1.57 0.00 0.00 52.86 52.51 1wee s ASN 49 Cb -0.15 -1.76 -0.11 0.00 -0.02 0.00 0.00 41.25 39.21 1wee s ASN 49 CO -0.20 -3.06 2.90 -3.20 -2.57 0.00 0.00 177.10 170.97 1wee n ASN 50 N -4.12 5.50 0.00 -1.22 5.15 -1.26 -3.57 115.26 115.74 1wee n ASN 50 Ca 0.05 -2.58 0.00 0.00 -0.60 0.00 0.00 54.58 51.46 1wee n ASN 50 Cb 0.58 -1.28 0.00 0.00 -0.53 0.00 0.00 39.78 38.55 1wee n ASN 50 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wee n ALA 51 N 1.85 2.18 -2.71 5.20 0.00 -1.26 -5.05 120.51 120.72 1wee n ALA 51 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.35 1wee n ALA 51 Cb 0.72 0.23 -0.06 0.00 0.00 0.00 0.00 19.45 20.34 1wee n ALA 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wee s ASP 52 N -3.74 6.69 1.09 0.00 1.11 -1.23 -5.06 116.67 115.54 1wee s ASP 52 Ca 0.00 0.83 -0.20 0.00 0.18 0.00 0.00 52.55 53.36 1wee s ASP 52 Cb 0.00 -2.30 0.04 0.00 1.07 0.00 0.00 42.92 41.73 1wee s ASP 52 CO 0.00 -0.05 -0.30 0.00 1.18 0.00 0.00 175.17 176.00 1wee n ALA 53 N 3.91 -4.47 -2.40 5.23 0.00 -1.26 -4.86 120.51 116.66 1wee n ALA 53 Ca -0.06 -1.29 -0.40 0.00 0.00 0.00 0.00 53.44 51.69 1wee n ALA 53 Cb 0.51 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 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 0.66 4.45 0.18 0.00 1.43 -1.26 -5.02 118.68 119.12 1wee s LEU 54 Ca 0.52 1.56 -0.30 0.00 -1.03 0.00 0.00 54.13 54.88 1wee s LEU 54 Cb -0.08 -3.37 -0.08 0.00 0.03 0.00 0.00 46.19 42.69 1wee s LEU 54 CO 0.66 -0.04 1.31 -2.16 0.23 0.00 0.00 176.35 176.36 1wee s PRO 55 N 0.10 4.38 0.33 1.29 0.04 -1.26 -4.91 135.00 134.97 1wee s PRO 55 Ca 0.42 2.04 0.10 0.00 0.04 0.00 0.00 61.00 63.60 1wee s PRO 55 Cb -0.21 -3.21 0.97 0.00 0.04 0.00 0.00 34.50 32.09 1wee s PRO 55 CO 0.25 -0.28 1.62 1.03 0.04 0.00 0.00 177.00 179.67 1wee h SER 56 N 5.63 0.15 -3.93 6.66 0.87 -2.04 -3.37 113.55 117.52 1wee h SER 56 Ca -0.44 0.22 -0.62 0.00 -1.23 0.00 0.00 61.79 59.72 1wee h SER 56 Cb 1.21 0.27 -0.31 0.00 -0.44 0.00 0.00 62.40 63.13 1wee h SER 56 CO 0.79 -0.25 -0.86 -0.54 -0.53 0.00 0.00 176.83 175.44 1wee s LYS 57 N -5.77 2.16 -0.38 2.24 -0.14 -1.26 -5.04 119.74 111.55 1wee s LYS 57 Ca -0.11 -0.75 0.01 0.00 -1.36 0.00 0.00 55.97 53.76 1wee s LYS 57 Cb 0.29 -1.84 0.12 0.00 -1.68 0.00 0.00 37.83 34.72 1wee s LYS 57 CO 0.78 0.30 0.17 0.12 -0.76 0.00 0.00 175.35 175.97 1wee s PHE 58 N -0.04 1.82 -0.50 3.18 5.36 -1.26 -5.06 117.98 121.49 1wee s PHE 58 Ca -0.04 -2.10 -0.14 0.00 -0.96 0.00 0.00 56.93 53.69 1wee s PHE 58 Cb -0.13 -1.77 0.11 0.00 -0.34 0.00 0.00 43.02 40.89 1wee s PHE 58 CO 0.03 -0.83 0.42 -0.51 -1.46 0.00 0.00 175.22 172.87 1wee s LEU 59 N 0.94 5.85 0.46 6.12 1.43 -1.26 -3.29 118.68 128.92 1wee s LEU 59 Ca 0.14 -1.68 -0.21 0.00 -1.03 0.00 0.00 54.13 51.36 1wee s LEU 59 Cb -0.21 -2.14 -0.12 0.00 0.03 0.00 0.00 46.19 43.74 1wee s LEU 59 CO -0.10 -0.74 0.39 0.00 0.23 0.00 0.00 176.35 176.13 1wee n PHE 61 N -1.16 -0.09 -0.34 0.00 3.72 -1.26 -0.18 117.46 118.15 1wee n PHE 61 Ca 0.11 0.27 -0.07 0.00 -0.05 0.00 0.00 57.45 57.70 1wee n PHE 61 Cb 0.42 -0.41 -0.06 0.00 -0.94 0.00 0.00 39.48 38.49 1wee n PHE 61 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1wee n ARG 62 N -3.36 -0.33 -0.02 -1.08 5.12 -1.26 0.01 116.66 115.74 1wee n ARG 62 Ca 0.00 1.26 -0.10 0.00 -1.93 0.00 0.00 57.85 57.08 1wee n ARG 62 Cb 0.06 -1.85 -0.03 0.00 -1.16 0.00 0.00 32.46 29.48 1wee n ARG 62 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wee n ILE 64 N -5.39 -0.10 -0.04 0.00 5.41 0.10 0.98 119.36 120.32 1wee n ILE 64 Ca -0.02 1.45 -0.22 0.00 1.00 0.00 0.00 62.75 64.96 1wee n ILE 64 Cb 0.31 -2.39 -0.13 0.00 -0.71 0.00 0.00 39.64 36.72 1wee n ILE 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1wee n GLU 65 N -4.05 0.69 -0.21 0.38 -0.58 -0.16 -4.29 120.64 112.41 1wee n GLU 65 Ca 0.38 0.35 -0.01 0.00 -0.42 0.00 0.00 57.16 57.46 1wee n GLU 65 Cb 1.61 -1.70 0.10 0.00 -0.57 0.00 0.00 31.44 30.88 1wee n GLU 65 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wee h LEU 66 N -0.29 0.38 -9.69 -4.62 3.38 0.20 -3.41 115.31 101.27 1wee h LEU 66 Ca -0.42 0.05 -0.52 0.00 0.09 0.00 0.00 57.88 57.08 1wee h LEU 66 Cb 1.80 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 42.56 1wee h LEU 66 CO -0.03 0.24 0.56 -0.94 0.09 0.00 0.00 178.44 178.36 1wee s SER 67 N -5.48 7.07 0.07 -0.43 1.04 0.61 -4.71 113.70 111.88 1wee s SER 67 Ca -0.13 2.27 0.00 0.00 0.48 0.00 0.00 55.95 58.57 1wee s SER 67 Cb 0.16 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1wee s SER 67 CO 0.75 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 175.21 1wee n GLY 68 N 2.06 -1.60 0.00 7.32 0.00 -1.26 -4.91 105.19 106.80 1wee n GLY 68 Ca 0.04 0.59 0.08 0.00 0.00 0.00 0.00 46.02 46.73 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 -2.86 0.38 -4.32 1.61 -0.04 -1.26 -4.59 135.00 123.93 1wee n PRO 69 Ca 0.00 0.06 -0.31 0.00 -0.04 0.00 0.00 63.50 63.20 1wee n PRO 69 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 1wee n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wee s SER 70 N -2.22 4.74 -1.36 3.54 0.15 -1.26 -4.60 113.70 112.70 1wee s SER 70 Ca 0.20 -0.18 -0.06 0.00 0.70 0.00 0.00 55.95 56.61 1wee s SER 70 Cb 0.10 -1.10 0.03 0.00 -1.71 0.00 0.00 66.02 63.34 1wee s SER 70 CO 0.20 0.24 0.97 -0.24 1.20 0.00 0.00 173.24 175.60 1wee n SER 71 N 1.16 -3.67 0.00 5.45 2.88 -1.26 -5.09 113.62 113.09 1wee n SER 71 Ca -0.14 -0.69 0.00 0.00 -1.33 0.00 0.00 58.87 56.71 1wee n SER 71 Cb 0.52 -4.49 0.00 0.00 -0.75 0.00 0.00 64.21 59.49 1wee n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42