#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wen s SER 2 N 0.00 2.47 -0.05 1.61 1.04 -1.26 -5.11 113.70 112.39 1wen s SER 2 Ca 0.00 -0.51 -0.02 0.00 0.48 0.00 0.00 55.95 55.90 1wen s SER 2 Cb 0.00 -0.74 0.04 0.00 0.10 0.00 0.00 66.02 65.41 1wen s SER 2 CO 0.00 -0.20 0.09 -0.55 0.98 0.00 0.00 173.24 173.57 1wen s SER 3 N 1.76 0.56 0.00 7.02 0.15 -1.26 -5.14 113.70 116.80 1wen s SER 3 Ca 0.02 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.84 1wen s SER 3 Cb -0.14 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.20 1wen s SER 3 CO -0.07 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1wen n GLY 4 N 4.85 -3.11 3.78 9.45 0.00 -1.26 -4.89 105.19 114.01 1wen n GLY 4 Ca -0.14 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 1wen n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wen s SER 5 N -1.94 5.30 -1.05 1.61 0.15 -1.26 -4.96 113.70 111.55 1wen s SER 5 Ca 0.00 1.92 -0.16 0.00 0.70 0.00 0.00 55.95 58.41 1wen s SER 5 Cb 0.00 -2.54 0.16 0.00 -1.71 0.00 0.00 66.02 61.93 1wen s SER 5 CO 0.00 -1.50 1.24 -0.94 1.20 0.00 0.00 173.24 173.24 1wen s SER 6 N -2.74 6.85 0.00 5.45 1.04 -1.26 -4.87 113.70 118.17 1wen s SER 6 Ca 0.65 -2.53 0.00 0.00 0.48 0.00 0.00 55.95 54.56 1wen s SER 6 Cb -0.19 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1wen s SER 6 CO 0.41 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1wen n GLY 7 N 4.75 3.76 3.75 7.32 0.00 -1.26 -5.08 105.19 118.43 1wen n GLY 7 Ca 0.29 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 1wen n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wen s ASP 8 N 0.00 7.22 -0.14 1.61 1.01 -1.26 -5.06 116.67 120.04 1wen s ASP 8 Ca 0.00 1.45 -0.03 0.00 0.71 0.00 0.00 52.55 54.68 1wen s ASP 8 Cb 0.00 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1wen s ASP 8 CO 0.00 0.03 -0.03 0.00 0.21 0.00 0.00 175.17 175.38 1wen s MET 9 N -0.13 3.56 1.25 8.23 0.23 -1.26 -5.12 119.30 126.06 1wen s MET 9 Ca 0.38 -0.50 -0.21 0.00 -1.03 0.00 0.00 55.69 54.33 1wen s MET 9 Cb -0.21 -2.89 0.31 0.00 -1.53 0.00 0.00 34.83 30.51 1wen s MET 9 CO 0.23 0.32 1.11 -1.25 -2.03 0.00 0.00 175.02 173.40 1wen s PRO 10 N 0.16 -1.64 0.65 3.16 0.04 -1.26 -5.05 135.00 131.05 1wen s PRO 10 Ca -0.01 -0.21 -0.01 0.00 0.04 0.00 0.00 61.00 60.81 1wen s PRO 10 Cb -0.14 -1.56 0.08 0.00 0.04 0.00 0.00 34.50 32.92 1wen s PRO 10 CO 0.03 -3.96 0.91 0.14 0.04 0.00 0.00 177.00 174.15 1wen s VAL 11 N -3.01 2.38 -0.14 -0.36 -7.23 -1.26 -5.07 120.40 105.70 1wen s VAL 11 Ca 0.72 -0.58 -0.33 0.00 -1.81 0.00 0.00 61.98 59.98 1wen s VAL 11 Cb -0.07 -2.79 0.13 0.00 0.56 0.00 0.00 36.38 34.20 1wen s VAL 11 CO 0.56 0.00 1.11 -1.81 -0.31 0.00 0.00 175.10 174.65 1wen s ASP 12 N -4.58 -0.22 0.01 4.85 1.01 -1.26 -5.06 116.67 111.42 1wen s ASP 12 Ca 0.62 0.04 -0.23 0.00 0.71 0.00 0.00 52.55 53.69 1wen s ASP 12 Cb -0.08 0.22 -0.17 0.00 1.01 0.00 0.00 42.92 43.90 1wen s ASP 12 CO 0.42 -0.34 1.31 1.55 0.21 0.00 0.00 175.17 178.32 1wen h PRO 13 N 2.06 0.20 -0.94 8.23 0.13 -2.00 -3.21 132.00 136.47 1wen h PRO 13 Ca -0.13 -0.10 0.10 0.00 -0.87 0.00 0.00 66.00 64.99 1wen h PRO 13 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1wen h PRO 13 CO 0.26 0.63 -0.54 -2.95 -0.23 0.00 0.00 178.00 175.17 1wen h ASN 14 N -0.22 -1.95 -3.57 1.44 -1.07 -2.05 -3.29 115.58 104.86 1wen h ASN 14 Ca 0.01 0.32 -0.62 0.00 0.07 0.00 0.00 56.30 56.08 1wen h ASN 14 Cb 0.59 0.89 -0.40 0.00 -2.07 0.00 0.00 38.32 37.33 1wen h ASN 14 CO 0.02 -0.26 -0.72 -1.61 0.07 0.00 0.00 177.43 174.93 1wen s GLU 15 N -5.63 1.26 0.31 4.14 8.01 -1.25 -5.11 118.70 120.44 1wen s GLU 15 Ca -0.13 -1.80 -0.29 0.00 0.01 0.00 0.00 54.97 52.77 1wen s GLU 15 Cb 0.13 -2.55 -0.10 0.00 -4.31 0.00 0.00 34.13 27.30 1wen s GLU 15 CO 0.64 -1.06 1.23 -1.25 0.01 0.00 0.00 175.26 174.83 1wen s PRO 16 N 0.74 4.46 -0.09 0.39 0.04 -1.21 -4.41 135.00 134.91 1wen s PRO 16 Ca 0.14 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 63.08 1wen s PRO 16 Cb -0.22 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 1wen s PRO 16 CO -0.09 -0.04 0.40 0.95 0.04 0.00 0.00 177.00 178.26 1wen s THR 17 N -1.16 5.17 0.02 1.26 -4.23 -1.26 -4.19 115.64 111.25 1wen s THR 17 Ca 0.47 0.80 -0.02 0.00 -1.18 0.00 0.00 61.69 61.76 1wen s THR 17 Cb -0.37 -3.73 -0.01 0.00 1.34 0.00 0.00 72.50 69.74 1wen s THR 17 CO 0.48 0.43 -0.05 -1.22 -0.54 0.00 0.00 174.62 173.72 1wen n TYR 18 N 3.03 0.00 -0.87 3.99 4.02 -1.25 -4.95 117.16 121.14 1wen n TYR 18 Ca -0.11 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.44 1wen n TYR 18 Cb 0.52 -0.06 0.09 0.00 -0.02 0.00 0.00 39.34 39.87 1wen n TYR 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wen h LEU 20 N -1.39 0.91 -1.02 0.00 4.07 -1.97 -1.83 115.31 114.07 1wen h LEU 20 Ca -0.45 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.37 1wen h LEU 20 Cb 1.31 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1wen h LEU 20 CO 0.30 0.80 0.32 0.00 -1.08 0.00 0.00 178.44 178.78 1wen n HIS 22 N -2.18 -1.80 -4.32 0.00 8.25 -0.69 -5.03 115.22 109.44 1wen n HIS 22 Ca -0.01 0.77 -0.24 0.00 -0.26 0.00 0.00 57.72 57.97 1wen n HIS 22 Cb 0.34 -4.50 -0.08 0.00 1.12 0.00 0.00 29.99 26.86 1wen n HIS 22 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1wen s GLN 23 N -5.08 2.10 0.63 -0.41 -0.21 -1.26 -4.93 119.66 110.50 1wen s GLN 23 Ca 0.01 -1.71 -0.14 0.00 0.02 0.00 0.00 55.36 53.55 1wen s GLN 23 Cb -0.00 -1.96 -0.02 0.00 1.00 0.00 0.00 33.01 32.03 1wen s GLN 23 CO 0.60 0.16 1.06 0.14 -2.12 0.00 0.00 175.29 175.13 1wen s VAL 24 N -2.50 3.86 -0.19 1.09 -7.23 -1.26 -3.87 120.40 110.29 1wen s VAL 24 Ca 0.34 0.77 -0.39 0.00 -1.81 0.00 0.00 61.98 60.90 1wen s VAL 24 Cb -0.01 -3.37 -0.15 0.00 0.56 0.00 0.00 36.38 33.41 1wen s VAL 24 CO 0.19 -0.62 1.70 -0.24 -0.31 0.00 0.00 175.10 175.82 1wen n SER 25 N -2.45 2.42 -3.51 4.85 2.88 -1.26 -4.92 113.62 111.63 1wen n SER 25 Ca 0.08 1.07 -0.09 0.00 -1.33 0.00 0.00 58.87 58.60 1wen n SER 25 Cb 0.53 -1.18 -0.03 0.00 -0.75 0.00 0.00 64.21 62.78 1wen n SER 25 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1wen s TYR 26 N 3.11 -0.36 0.36 0.66 -0.85 -1.26 -5.15 117.35 113.85 1wen s TYR 26 Ca 0.95 0.30 0.00 0.00 -0.52 0.00 0.00 57.07 57.80 1wen s TYR 26 Cb -1.00 0.52 0.00 0.00 0.38 0.00 0.00 41.96 41.86 1wen s TYR 26 CO 0.61 -0.53 0.00 0.41 -1.52 0.00 0.00 175.55 174.52 1wen n GLY 27 N -0.08 -1.99 3.75 5.49 0.00 -1.26 -4.72 105.19 106.38 1wen n GLY 27 Ca -0.09 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 1wen n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wen s GLU 28 N -2.36 4.35 0.24 1.61 0.41 -1.26 -4.98 118.70 116.70 1wen s GLU 28 Ca 0.00 2.17 0.02 0.00 -0.41 0.00 0.00 54.97 56.75 1wen s GLU 28 Cb 0.00 -3.14 -0.05 0.00 -1.78 0.00 0.00 34.13 29.16 1wen s GLU 28 CO 0.00 -0.28 0.06 -1.64 -0.49 0.00 0.00 175.26 172.91 1wen s MET 29 N -0.63 1.35 0.20 1.61 -1.94 -1.26 -2.05 119.30 116.59 1wen s MET 29 Ca 0.55 -1.71 0.03 0.00 -1.71 0.00 0.00 55.69 52.85 1wen s MET 29 Cb -0.39 -0.33 -0.05 0.00 2.01 0.00 0.00 34.83 36.07 1wen s MET 29 CO 0.43 -0.23 -0.01 0.96 -0.01 0.00 0.00 175.02 176.16 1wen s ILE 30 N -3.67 0.89 -0.36 2.53 -0.00 -1.15 -4.94 121.20 114.49 1wen s ILE 30 Ca 0.34 -2.01 -0.04 0.00 -0.00 0.00 0.00 60.65 58.93 1wen s ILE 30 Cb 0.07 -2.19 0.07 0.00 -0.00 0.00 0.00 42.46 40.42 1wen s ILE 30 CO 0.11 -0.44 0.12 -0.83 -0.00 0.00 0.00 174.94 173.91 1wen s GLY 31 N -3.23 1.88 0.48 6.27 0.00 -1.26 -3.53 107.32 107.93 1wen s GLY 31 Ca 0.25 -2.07 -0.20 0.00 0.00 0.00 0.00 44.72 42.70 1wen s GLY 31 CO 0.06 0.86 0.47 0.00 0.00 0.00 0.00 173.10 174.48 1wen h ASP 33 N 0.51 0.49 -1.24 0.00 3.58 -1.96 -3.46 116.42 114.34 1wen h ASP 33 Ca -0.42 -0.91 -0.79 0.00 0.42 0.00 0.00 57.03 55.32 1wen h ASP 33 Cb 1.40 -0.16 0.01 0.00 1.72 0.00 0.00 39.33 42.30 1wen h ASP 33 CO 0.49 1.52 0.87 -3.20 -2.88 0.00 0.00 179.24 176.04 1wen n ASN 34 N -4.00 1.85 0.27 2.28 5.15 -1.26 -4.81 115.26 114.74 1wen n ASN 34 Ca -0.18 1.07 0.17 0.00 -0.60 0.00 0.00 54.58 55.04 1wen n ASN 34 Cb 0.89 -1.03 0.69 0.00 -0.53 0.00 0.00 39.78 39.80 1wen n ASN 34 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1wen h PRO 35 N 6.70 0.00 0.10 1.20 0.13 -2.03 -2.91 132.00 135.19 1wen h PRO 35 Ca -0.43 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.42 1wen h PRO 35 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1wen h PRO 35 CO 0.98 0.00 -1.35 0.22 -0.23 0.00 0.00 178.00 177.61 1wen h ASP 36 N 0.00 0.34 -1.27 1.44 3.58 -1.99 -3.47 116.42 115.05 1wen h ASP 36 Ca 0.00 -0.41 -0.71 0.00 0.42 0.00 0.00 57.03 56.33 1wen h ASP 36 Cb 0.48 -0.11 0.08 0.00 1.72 0.00 0.00 39.33 41.49 1wen h ASP 36 CO 0.00 1.33 -0.07 0.00 -2.88 0.00 0.00 179.24 177.62 1wen h SER 38 N 2.44 0.43 0.19 0.00 0.02 -1.90 -3.41 113.55 111.32 1wen h SER 38 Ca -0.41 -0.93 -0.01 0.00 -0.84 0.00 0.00 61.79 59.60 1wen h SER 38 Cb 1.41 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1wen h SER 38 CO 0.64 1.83 -0.09 0.40 -1.14 0.00 0.00 176.83 178.47 1wen h ILE 39 N 0.02 0.00 -5.39 3.27 2.04 -1.93 -3.47 117.51 112.05 1wen h ILE 39 Ca -0.41 -0.37 -0.41 0.00 1.00 0.00 0.00 64.86 64.67 1wen h ILE 39 Cb 2.00 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1wen h ILE 39 CO 0.09 0.00 -0.63 -0.62 0.00 0.00 0.00 178.15 176.98 1wen n GLU 40 N -3.73 -4.78 -3.54 2.37 1.02 -1.26 -4.94 120.64 105.77 1wen n GLU 40 Ca -0.03 0.67 -0.01 0.00 -0.02 0.00 0.00 57.16 57.77 1wen n GLU 40 Cb 0.10 -5.51 -0.05 0.00 -0.02 0.00 0.00 31.44 25.97 1wen n GLU 40 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1wen s TRP 41 N -3.13 -0.95 0.33 -0.32 0.52 -1.25 -3.55 118.94 110.59 1wen s TRP 41 Ca 0.45 1.69 0.00 0.00 0.02 0.00 0.00 56.10 58.26 1wen s TRP 41 Cb -0.22 0.57 -0.01 0.00 -1.15 0.00 0.00 33.47 32.66 1wen s TRP 41 CO 0.56 -0.47 0.41 -0.06 0.02 0.00 0.00 176.95 177.41 1wen s PHE 42 N 2.40 1.25 -0.16 -1.98 0.40 -1.23 -3.28 117.98 115.38 1wen s PHE 42 Ca -0.05 -1.39 -0.04 0.00 -0.60 0.00 0.00 56.93 54.84 1wen s PHE 42 Cb -0.08 -0.27 -0.03 0.00 0.51 0.00 0.00 43.02 43.15 1wen s PHE 42 CO -0.18 -1.04 -0.02 -1.01 0.70 0.00 0.00 175.22 173.67 1wen s HIS 43 N -3.22 3.07 0.01 0.36 3.76 -1.26 -2.94 115.29 115.06 1wen s HIS 43 Ca 0.34 -0.21 -0.02 0.00 -0.15 0.00 0.00 55.06 55.02 1wen s HIS 43 Cb 0.01 -1.97 -0.00 0.00 1.11 0.00 0.00 32.58 31.72 1wen s HIS 43 CO 0.22 0.02 1.03 0.74 -0.85 0.00 0.00 174.74 175.90 1wen h PHE 44 N 6.61 -0.11 -0.86 1.40 -1.00 -1.75 0.28 116.94 121.50 1wen h PHE 44 Ca -0.33 0.01 0.13 0.00 2.81 0.00 0.00 57.97 60.59 1wen h PHE 44 Cb 1.19 0.06 -0.14 0.00 3.61 0.00 0.00 35.95 40.66 1wen h PHE 44 CO 0.54 -0.02 -0.39 0.00 -1.61 0.00 0.00 178.31 176.82 1wen h ALA 45 N -0.92 0.02 -0.91 2.45 0.00 -1.86 0.63 119.26 118.66 1wen h ALA 45 Ca 0.01 0.22 0.20 0.00 0.00 0.00 0.00 54.91 55.34 1wen h ALA 45 Cb 0.02 0.98 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 1wen h ALA 45 CO -0.06 -0.68 0.46 0.00 0.00 0.00 0.00 179.25 178.98 1wen n VAL 47 N -4.94 3.02 -3.77 0.00 0.24 0.18 -4.97 118.33 108.09 1wen n VAL 47 Ca 0.22 -1.70 -0.27 0.00 -2.04 0.00 0.00 64.34 60.55 1wen n VAL 47 Cb 0.60 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.59 1wen n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wen n GLY 48 N -0.37 -1.15 2.97 7.63 0.00 0.14 -4.93 105.19 109.49 1wen n GLY 48 Ca 0.46 0.67 -0.30 0.00 0.00 0.00 0.00 46.02 46.84 1wen n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wen s LEU 49 N -4.71 4.47 0.32 0.99 1.43 -0.70 -4.96 118.68 115.53 1wen s LEU 49 Ca 0.04 -2.72 0.03 0.00 -1.03 0.00 0.00 54.13 50.46 1wen s LEU 49 Cb -0.00 -1.64 0.63 0.00 0.03 0.00 0.00 46.19 45.21 1wen s LEU 49 CO 0.90 -0.28 1.91 0.74 0.23 0.00 0.00 176.35 179.84 1wen h THR 50 N 5.89 1.00 -2.88 5.49 2.02 -1.91 -3.42 112.91 119.10 1wen h THR 50 Ca -0.07 -0.31 -0.12 0.00 0.77 0.00 0.00 66.41 66.69 1wen h THR 50 Cb 0.94 0.02 -0.21 0.00 -1.74 0.00 0.00 68.15 67.15 1wen h THR 50 CO 0.63 0.17 -0.23 -0.89 0.37 0.00 0.00 175.52 175.56 1wen s THR 51 N -5.82 0.04 -0.16 3.16 2.01 -1.26 -5.11 115.64 108.49 1wen s THR 51 Ca -0.11 -0.29 -0.31 0.00 0.31 0.00 0.00 61.69 61.29 1wen s THR 51 Cb 0.20 -0.62 -0.14 0.00 0.01 0.00 0.00 72.50 71.95 1wen s THR 51 CO 0.79 -0.16 0.95 1.17 -0.69 0.00 0.00 174.62 176.68 1wen n LYS 52 N 1.73 0.00 -2.09 4.92 4.81 -1.26 -4.76 118.16 121.51 1wen n LYS 52 Ca -0.19 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.82 1wen n LYS 52 Cb 0.56 -1.09 -0.03 0.00 0.02 0.00 0.00 35.03 34.50 1wen n LYS 52 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1wen s PRO 53 N 0.99 3.47 0.70 1.64 0.04 -1.26 -4.99 135.00 135.59 1wen s PRO 53 Ca 0.70 1.37 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 1wen s PRO 53 Cb -1.00 -4.13 0.01 0.00 0.04 0.00 0.00 34.50 29.43 1wen s PRO 53 CO 0.50 -1.69 1.06 0.50 0.04 0.00 0.00 177.00 177.41 1wen s ARG 54 N 5.32 2.86 2.30 4.56 6.06 -1.26 -4.50 118.95 134.29 1wen s ARG 54 Ca 0.75 0.98 0.00 0.00 -2.50 0.00 0.00 55.73 54.96 1wen s ARG 54 Cb -0.21 -1.98 0.00 0.00 0.06 0.00 0.00 34.95 32.82 1wen s ARG 54 CO 0.33 -1.16 0.00 0.41 -2.50 0.00 0.00 175.30 172.38 1wen n GLY 55 N -1.89 1.42 3.22 8.12 0.00 -1.26 -4.74 105.19 110.06 1wen n GLY 55 Ca 0.08 0.25 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 1wen n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wen s LYS 56 N 0.00 1.35 -0.29 1.61 1.02 -1.26 -5.17 119.74 117.00 1wen s LYS 56 Ca 0.00 -1.73 -0.14 0.00 0.02 0.00 0.00 55.97 54.12 1wen s LYS 56 Cb 0.00 0.28 0.13 0.00 -0.52 0.00 0.00 37.83 37.72 1wen s LYS 56 CO 0.00 -0.46 0.82 -0.46 -0.92 0.00 0.00 175.35 174.33 1wen s TRP 57 N -3.97 -0.93 -0.33 3.18 -0.00 -1.26 -4.93 118.94 110.70 1wen s TRP 57 Ca 0.39 1.72 -0.04 0.00 -0.00 0.00 0.00 56.10 58.18 1wen s TRP 57 Cb 0.06 0.56 0.05 0.00 -0.00 0.00 0.00 33.47 34.13 1wen s TRP 57 CO 0.16 -0.46 0.07 -0.06 -0.00 0.00 0.00 176.95 176.66 1wen s PHE 58 N 2.08 3.29 0.75 5.86 0.08 -1.26 -3.56 117.98 125.20 1wen s PHE 58 Ca -0.07 -1.70 -0.17 0.00 0.12 0.00 0.00 56.93 55.11 1wen s PHE 58 Cb -0.07 -2.29 -0.15 0.00 -0.57 0.00 0.00 43.02 39.95 1wen s PHE 58 CO -0.18 -0.78 -0.48 0.00 -0.10 0.00 0.00 175.22 173.68 1wen n PRO 60 N 1.98 0.38 0.00 0.00 -0.04 -1.26 -1.70 135.00 134.36 1wen n PRO 60 Ca 0.03 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1wen n PRO 60 Cb 0.50 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.32 1wen n PRO 60 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wen n ARG 61 N -1.11 0.62 -0.12 0.54 5.12 -1.26 -4.17 116.66 116.27 1wen n ARG 61 Ca 0.10 -0.15 -0.20 0.00 -1.93 0.00 0.00 57.85 55.67 1wen n ARG 61 Cb 0.08 -1.55 -0.11 0.00 -1.16 0.00 0.00 32.46 29.72 1wen n ARG 61 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wen n SER 63 N -3.45 2.91 -1.75 0.00 7.64 -0.69 -4.50 113.62 113.79 1wen n SER 63 Ca -0.45 -2.29 -0.06 0.00 1.01 0.00 0.00 58.87 57.08 1wen n SER 63 Cb 0.93 -0.56 -0.08 0.00 -1.01 0.00 0.00 64.21 63.49 1wen n SER 63 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1wen n GLN 64 N 0.16 1.49 0.05 1.43 -0.06 -1.26 -4.27 117.38 114.92 1wen n GLN 64 Ca 0.11 -0.53 -0.20 0.00 -2.00 0.00 0.00 57.00 54.38 1wen n GLN 64 Cb 0.68 -1.48 -0.12 0.00 -4.06 0.00 0.00 30.24 25.25 1wen n GLN 64 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 1wen h GLU 65 N 1.93 0.50 -0.89 3.69 4.39 -1.95 -3.10 114.58 119.17 1wen h GLU 65 Ca 0.10 -0.63 0.21 0.00 0.34 0.00 0.00 59.36 59.38 1wen h GLU 65 Cb 1.22 0.20 -0.12 0.00 -0.10 0.00 0.00 28.75 29.95 1wen h GLU 65 CO 0.14 1.25 0.38 0.66 -1.16 0.00 0.00 179.01 180.29 1wen h SER 66 N 0.04 0.32 -1.18 1.42 4.64 -1.99 -3.38 113.55 113.43 1wen h SER 66 Ca -0.13 0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1wen h SER 66 Cb 1.63 0.13 -0.23 0.00 -0.31 0.00 0.00 62.40 63.62 1wen h SER 66 CO 0.18 0.01 -0.42 -0.83 -0.87 0.00 0.00 176.83 174.90 1wen s GLY 67 N -3.79 -1.10 0.00 -0.77 0.00 -1.24 -5.00 107.32 95.43 1wen s GLY 67 Ca -0.12 0.85 0.15 0.00 0.00 0.00 0.00 44.72 45.61 1wen s GLY 67 CO 0.78 3.53 1.31 -1.55 0.00 0.00 0.00 173.10 177.17 1wen n PRO 68 N 5.40 0.49 -0.99 2.90 -0.04 -1.17 -4.89 135.00 136.71 1wen n PRO 68 Ca 0.04 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.12 1wen n PRO 68 Cb 0.53 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 1wen n PRO 68 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wen n SER 69 N -0.98 -0.17 -2.42 3.54 2.88 -1.26 -4.79 113.62 110.42 1wen n SER 69 Ca 0.11 0.77 -0.29 0.00 -1.33 0.00 0.00 58.87 58.13 1wen n SER 69 Cb 0.05 -0.62 0.01 0.00 -0.75 0.00 0.00 64.21 62.91 1wen n SER 69 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wen n SER 70 N 1.07 6.96 0.00 -3.46 2.88 -1.26 -5.21 113.62 114.60 1wen n SER 70 Ca 0.13 -3.44 0.00 0.00 -1.33 0.00 0.00 58.87 54.24 1wen n SER 70 Cb 0.08 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 1wen n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42