#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wen h SER 2 N 0.00 -0.51 -5.67 1.61 0.87 -2.14 -3.45 113.55 104.26 1wen h SER 2 Ca 0.00 0.21 -0.37 0.00 -1.23 0.00 0.00 61.79 60.39 1wen h SER 2 Cb 0.00 0.40 0.14 0.00 -0.44 0.00 0.00 62.40 62.50 1wen h SER 2 CO 0.00 -0.21 -0.68 -0.24 -0.53 0.00 0.00 176.83 175.17 1wen n SER 3 N -5.41 -5.37 -2.74 6.23 2.88 -1.26 -5.00 113.62 102.95 1wen n SER 3 Ca 0.12 -0.54 0.00 0.00 -1.33 0.00 0.00 58.87 57.12 1wen n SER 3 Cb 0.43 -4.92 0.00 0.00 -0.75 0.00 0.00 64.21 58.96 1wen n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wen n GLY 4 N -1.79 -1.16 3.54 0.46 0.00 -1.26 -5.10 105.19 99.88 1wen n GLY 4 Ca -0.05 -1.60 -0.24 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.10 3.93 -0.06 1.61 0.15 -1.26 -5.14 113.70 111.83 1wen s SER 5 Ca 0.00 -0.93 0.05 0.00 0.70 0.00 0.00 55.95 55.77 1wen s SER 5 Cb 0.00 -0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 63.82 1wen s SER 5 CO 0.00 -0.02 -0.21 -0.44 1.20 0.00 0.00 173.24 173.77 1wen s SER 6 N -3.58 2.68 0.00 5.45 0.01 -1.26 -5.09 113.70 111.90 1wen s SER 6 Ca 0.31 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1wen s SER 6 Cb -0.04 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.38 1wen s SER 6 CO 0.17 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.62 1wen n GLY 7 N 3.11 1.97 3.65 3.44 0.00 -1.26 -5.11 105.19 110.99 1wen n GLY 7 Ca -0.18 0.37 -0.48 0.00 0.00 0.00 0.00 46.02 45.73 1wen n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wen n ASP 8 N 0.00 3.37 -4.54 1.61 2.03 -1.26 -4.82 116.55 112.94 1wen n ASP 8 Ca 0.00 0.85 -0.51 0.00 0.52 0.00 0.00 54.79 55.65 1wen n ASP 8 Cb 0.00 -1.39 -0.07 0.00 -0.72 0.00 0.00 41.12 38.95 1wen n ASP 8 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1wen n MET 9 N 7.05 1.31 -1.08 -0.67 0.00 -1.26 -4.93 117.12 117.55 1wen n MET 9 Ca 0.25 0.41 -0.30 0.00 -0.00 0.00 0.00 57.70 58.06 1wen n MET 9 Cb 0.31 -2.44 0.24 0.00 0.00 0.00 0.00 33.22 31.33 1wen n MET 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1wen s PRO 10 N 5.32 -1.26 0.44 2.12 0.04 -1.26 -5.08 135.00 135.32 1wen s PRO 10 Ca 1.04 -0.08 0.07 0.00 0.04 0.00 0.00 61.00 62.08 1wen s PRO 10 Cb -0.86 -1.59 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 1wen s PRO 10 CO 0.53 -3.74 0.33 0.14 0.04 0.00 0.00 177.00 174.30 1wen s VAL 11 N -3.00 2.33 -0.17 -0.36 -7.23 -1.26 -5.09 120.40 105.62 1wen s VAL 11 Ca 0.71 -1.48 -0.30 0.00 -1.81 0.00 0.00 61.98 59.10 1wen s VAL 11 Cb -0.10 -2.81 0.14 0.00 0.56 0.00 0.00 36.38 34.17 1wen s VAL 11 CO 0.56 0.00 1.07 -1.81 -0.31 0.00 0.00 175.10 174.61 1wen s ASP 12 N -4.10 -0.29 0.14 4.85 1.01 -1.26 -5.05 116.67 111.97 1wen s ASP 12 Ca 0.43 0.27 -0.11 0.00 0.71 0.00 0.00 52.55 53.85 1wen s ASP 12 Cb -0.01 0.25 -0.04 0.00 1.01 0.00 0.00 42.92 44.12 1wen s ASP 12 CO 0.25 -0.30 1.47 1.55 0.21 0.00 0.00 175.17 178.35 1wen h PRO 13 N 2.37 0.94 -0.79 8.23 0.13 -2.01 -3.28 132.00 137.59 1wen h PRO 13 Ca -0.16 -0.50 0.12 0.00 -0.87 0.00 0.00 66.00 64.59 1wen h PRO 13 Cb 1.17 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 1wen h PRO 13 CO 0.29 1.15 -0.41 -2.95 -0.23 0.00 0.00 178.00 175.85 1wen h ASN 14 N 0.76 -1.45 -3.74 1.44 7.08 -2.06 -3.32 115.58 114.29 1wen h ASN 14 Ca 0.06 0.28 -0.68 0.00 -3.08 0.00 0.00 56.30 52.88 1wen h ASN 14 Cb 0.98 0.71 -0.34 0.00 -2.08 0.00 0.00 38.32 37.59 1wen h ASN 14 CO 0.10 -0.30 -0.70 -1.61 -2.08 0.00 0.00 177.43 172.84 1wen s GLU 15 N -5.89 2.25 0.35 4.14 2.02 -1.24 -5.10 118.70 115.23 1wen s GLU 15 Ca -0.14 -1.41 -0.27 0.00 0.02 0.00 0.00 54.97 53.16 1wen s GLU 15 Cb 0.17 -3.18 -0.09 0.00 0.10 0.00 0.00 34.13 31.12 1wen s GLU 15 CO 0.69 -0.70 1.21 -1.25 0.02 0.00 0.00 175.26 175.23 1wen s PRO 16 N 1.18 4.28 -0.15 0.39 0.04 -1.25 -4.52 135.00 134.97 1wen s PRO 16 Ca -0.03 1.98 -0.04 0.00 0.04 0.00 0.00 61.00 62.96 1wen s PRO 16 Cb -0.20 -2.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.38 1wen s PRO 16 CO -0.03 -0.17 -0.02 0.95 0.04 0.00 0.00 177.00 177.77 1wen s THR 17 N -1.25 4.04 0.00 1.26 -4.23 -1.26 -4.30 115.64 109.90 1wen s THR 17 Ca 0.51 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 1wen s THR 17 Cb -0.35 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 70.73 1wen s THR 17 CO 0.45 0.50 0.00 -1.22 -0.54 0.00 0.00 174.62 173.81 1wen n TYR 18 N 3.39 0.00 -0.98 3.99 4.02 -1.24 -4.93 117.16 121.41 1wen n TYR 18 Ca -0.17 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.35 1wen n TYR 18 Cb 0.53 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.89 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 -1.05 0.69 -0.49 0.00 4.07 -1.97 -1.92 115.31 114.63 1wen h LEU 20 Ca -0.43 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.38 1wen h LEU 20 Cb 1.32 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1wen h LEU 20 CO 0.23 0.74 0.07 0.00 -1.08 0.00 0.00 178.44 178.40 1wen n HIS 22 N -1.74 -2.13 -3.67 0.00 8.25 -0.72 -5.02 115.22 110.19 1wen n HIS 22 Ca -0.00 0.84 -0.16 0.00 -0.26 0.00 0.00 57.72 58.14 1wen n HIS 22 Cb 0.08 -4.61 0.00 0.00 1.12 0.00 0.00 29.99 26.58 1wen n HIS 22 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1wen n GLN 23 N -3.98 0.96 -2.89 -0.41 6.02 -1.26 -4.90 117.38 110.92 1wen n GLN 23 Ca -0.15 -2.12 -0.23 0.00 -0.01 0.00 0.00 57.00 54.49 1wen n GLN 23 Cb 0.61 0.19 0.02 0.00 1.02 0.00 0.00 30.24 32.08 1wen n GLN 23 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1wen s VAL 24 N -1.65 3.72 -0.07 5.09 -7.23 -1.26 -3.63 120.40 115.37 1wen s VAL 24 Ca 0.21 -0.51 -0.29 0.00 -1.81 0.00 0.00 61.98 59.58 1wen s VAL 24 Cb -0.02 -3.38 -0.07 0.00 0.56 0.00 0.00 36.38 33.47 1wen s VAL 24 CO 0.13 -0.27 1.96 -0.55 -0.31 0.00 0.00 175.10 176.06 1wen s SER 25 N -4.26 6.21 0.19 4.85 0.15 -1.26 -4.93 113.70 114.65 1wen s SER 25 Ca 0.50 2.30 -0.23 0.00 0.70 0.00 0.00 55.95 59.22 1wen s SER 25 Cb -0.10 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.73 1wen s SER 25 CO 0.38 -1.30 0.81 -0.72 1.20 0.00 0.00 173.24 173.61 1wen s TYR 26 N 5.50 -0.22 0.17 3.44 -0.85 -1.26 -5.15 117.35 118.97 1wen s TYR 26 Ca 0.88 -0.12 0.00 0.00 -0.52 0.00 0.00 57.07 57.31 1wen s TYR 26 Cb -0.37 0.65 0.00 0.00 0.38 0.00 0.00 41.96 42.62 1wen s TYR 26 CO 0.37 -0.98 0.00 0.41 -1.52 0.00 0.00 175.55 173.83 1wen n GLY 27 N -0.44 -0.98 3.74 5.49 0.00 -1.26 -4.61 105.19 107.13 1wen n GLY 27 Ca -0.07 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.56 4.20 0.17 1.61 0.41 -1.26 -4.95 118.70 117.32 1wen s GLU 28 Ca 0.00 2.42 -0.00 0.00 -0.41 0.00 0.00 54.97 56.98 1wen s GLU 28 Cb 0.00 -3.09 -0.04 0.00 -1.78 0.00 0.00 34.13 29.22 1wen s GLU 28 CO 0.00 -0.54 0.06 -1.64 -0.49 0.00 0.00 175.26 172.65 1wen s MET 29 N -0.00 1.07 0.27 1.61 -1.94 -1.26 -1.13 119.30 117.92 1wen s MET 29 Ca 0.64 -1.53 0.02 0.00 -1.71 0.00 0.00 55.69 53.10 1wen s MET 29 Cb -0.45 0.09 -0.04 0.00 2.01 0.00 0.00 34.83 36.44 1wen s MET 29 CO 0.41 -0.26 0.14 0.96 -0.01 0.00 0.00 175.02 176.26 1wen s ILE 30 N -3.96 0.32 -0.29 2.53 -0.00 -1.11 -4.94 121.20 113.75 1wen s ILE 30 Ca 0.28 -2.00 0.02 0.00 -0.00 0.00 0.00 60.65 58.95 1wen s ILE 30 Cb 0.07 -2.55 0.08 0.00 -0.00 0.00 0.00 42.46 40.06 1wen s ILE 30 CO 0.05 0.00 0.00 -0.83 -0.00 0.00 0.00 174.94 174.17 1wen s GLY 31 N -3.31 1.52 0.64 6.27 0.00 -1.26 -3.28 107.32 107.91 1wen s GLY 31 Ca 0.37 -1.88 -0.17 0.00 0.00 0.00 0.00 44.72 43.05 1wen s GLY 31 CO 0.15 1.01 -0.35 0.00 0.00 0.00 0.00 173.10 173.92 1wen n ASP 33 N 2.71 3.80 -4.25 0.00 8.00 -1.13 -4.95 116.55 120.74 1wen n ASP 33 Ca 0.04 -3.73 -0.32 0.00 0.71 0.00 0.00 54.79 51.49 1wen n ASP 33 Cb 0.48 -0.73 -0.16 0.00 -0.02 0.00 0.00 41.12 40.68 1wen n ASP 33 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1wen s ASN 34 N -2.09 3.35 0.51 -2.24 2.47 -1.26 -5.00 114.94 110.68 1wen s ASN 34 Ca 0.52 -0.51 0.32 0.00 0.42 0.00 0.00 52.86 53.62 1wen s ASN 34 Cb 0.45 -1.48 1.35 0.00 -1.45 0.00 0.00 41.25 40.12 1wen s ASN 34 CO 0.04 0.14 1.95 1.55 -3.72 0.00 0.00 177.10 177.06 1wen h PRO 35 N 6.89 0.00 0.00 0.43 0.13 -2.03 -2.69 132.00 134.72 1wen h PRO 35 Ca -0.24 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.76 1wen h PRO 35 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1wen h PRO 35 CO 0.51 0.00 -0.91 0.22 -0.23 0.00 0.00 178.00 177.60 1wen h ASP 36 N 0.00 0.00 -2.24 1.44 1.82 -2.01 -3.46 116.42 111.97 1wen h ASP 36 Ca 0.00 0.00 -0.59 0.00 -0.39 0.00 0.00 57.03 56.05 1wen h ASP 36 Cb 0.46 0.00 0.05 0.00 0.68 0.00 0.00 39.33 40.52 1wen h ASP 36 CO 0.00 0.51 0.85 0.00 -1.61 0.00 0.00 179.24 179.00 1wen h SER 38 N 6.49 0.35 0.09 0.00 0.87 -1.89 -3.40 113.55 116.05 1wen h SER 38 Ca -0.45 -0.86 -0.00 0.00 -1.23 0.00 0.00 61.79 59.24 1wen h SER 38 Cb 1.26 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1wen h SER 38 CO 0.90 1.51 -0.04 0.40 -0.53 0.00 0.00 176.83 179.07 1wen h ILE 39 N -0.42 0.00 -5.90 2.23 2.04 -1.92 -3.48 117.51 110.06 1wen h ILE 39 Ca -0.25 -0.89 -0.40 0.00 1.00 0.00 0.00 64.86 64.32 1wen h ILE 39 Cb 1.64 0.00 0.12 0.00 -0.74 0.00 0.00 36.82 37.84 1wen h ILE 39 CO 0.06 0.00 -0.71 1.21 0.00 0.00 0.00 178.15 178.71 1wen n GLU 40 N -4.78 -7.35 -3.52 2.37 2.13 -1.26 -4.98 120.64 103.25 1wen n GLU 40 Ca -0.01 0.79 -0.00 0.00 0.66 0.00 0.00 57.16 58.59 1wen n GLU 40 Cb 0.05 -5.81 -0.05 0.00 0.27 0.00 0.00 31.44 25.90 1wen n GLU 40 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1wen s TRP 41 N -3.33 -0.68 0.35 4.31 0.52 -1.25 -3.74 118.94 115.12 1wen s TRP 41 Ca 0.50 1.25 0.02 0.00 0.02 0.00 0.00 56.10 57.89 1wen s TRP 41 Cb -0.22 0.41 -0.01 0.00 -1.15 0.00 0.00 33.47 32.49 1wen s TRP 41 CO 0.75 -0.34 0.41 -0.06 0.02 0.00 0.00 176.95 177.73 1wen s PHE 42 N 1.98 1.40 0.01 -1.98 0.40 -1.21 -2.97 117.98 115.63 1wen s PHE 42 Ca -0.06 -1.49 0.01 0.00 -0.60 0.00 0.00 56.93 54.80 1wen s PHE 42 Cb -0.05 -0.34 -0.04 0.00 0.51 0.00 0.00 43.02 43.10 1wen s PHE 42 CO -0.17 -1.06 0.04 -1.01 0.70 0.00 0.00 175.22 173.72 1wen s HIS 43 N -3.09 3.16 0.24 0.36 3.76 -1.26 -2.76 115.29 115.70 1wen s HIS 43 Ca 0.35 0.12 -0.05 0.00 -0.15 0.00 0.00 55.06 55.33 1wen s HIS 43 Cb 0.00 -1.68 0.35 0.00 1.11 0.00 0.00 32.58 32.36 1wen s HIS 43 CO 0.25 0.50 1.82 0.74 -0.85 0.00 0.00 174.74 177.20 1wen h PHE 44 N 4.11 0.86 0.07 1.40 -1.00 -1.43 -0.09 116.94 120.86 1wen h PHE 44 Ca -0.49 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.32 1wen h PHE 44 Cb 1.18 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 40.47 1wen h PHE 44 CO 0.62 0.39 -0.03 0.00 -1.61 0.00 0.00 178.31 177.68 1wen h ALA 45 N 1.42 -0.10 -0.32 2.45 0.00 -1.83 0.92 119.26 121.81 1wen h ALA 45 Ca 0.37 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1wen h ALA 45 Cb 0.28 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1wen h ALA 45 CO -0.21 -0.36 -0.08 0.00 0.00 0.00 0.00 179.25 178.59 1wen h VAL 47 N -0.00 1.40 -0.05 0.00 -1.51 -1.05 -3.48 116.25 111.55 1wen h VAL 47 Ca 0.15 -2.31 0.00 0.00 -1.23 0.00 0.00 66.70 63.31 1wen h VAL 47 Cb 0.24 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 1wen h VAL 47 CO -0.33 0.69 0.00 0.61 -1.23 0.00 0.00 177.57 177.31 1wen n GLY 48 N 0.75 1.49 3.43 5.19 0.00 0.26 -5.04 105.19 111.28 1wen n GLY 48 Ca -0.05 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.05 5.07 0.17 0.99 1.43 0.19 -4.93 118.68 121.55 1wen s LEU 49 Ca 0.00 -1.04 -0.14 0.00 -1.03 0.00 0.00 54.13 51.92 1wen s LEU 49 Cb 0.00 -2.41 0.08 0.00 0.03 0.00 0.00 46.19 43.90 1wen s LEU 49 CO 0.00 -0.94 1.81 0.71 0.23 0.00 0.00 176.35 178.16 1wen h THR 50 N 5.87 1.05 -3.85 5.49 1.35 -1.97 -3.43 112.91 117.41 1wen h THR 50 Ca -0.28 -0.20 -0.29 0.00 -0.55 0.00 0.00 66.41 65.09 1wen h THR 50 Cb 1.09 0.42 -0.28 0.00 -1.73 0.00 0.00 68.15 67.65 1wen h THR 50 CO 0.99 0.11 -0.74 0.42 -0.25 0.00 0.00 175.52 176.05 1wen s THR 51 N -6.14 0.28 -0.27 6.82 -4.23 -1.26 -5.10 115.64 105.73 1wen s THR 51 Ca -0.13 -0.20 -0.42 0.00 -1.18 0.00 0.00 61.69 59.76 1wen s THR 51 Cb 0.13 -0.25 -0.19 0.00 1.34 0.00 0.00 72.50 73.53 1wen s THR 51 CO 0.74 0.04 1.31 1.17 -0.54 0.00 0.00 174.62 177.34 1wen n LYS 52 N 2.90 0.00 -1.60 3.99 4.81 -1.26 -4.88 118.16 122.11 1wen n LYS 52 Ca -0.13 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 56.98 1wen n LYS 52 Cb 0.59 -1.43 0.06 0.00 0.02 0.00 0.00 35.03 34.27 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 1.62 2.63 0.26 1.64 0.04 -1.26 -5.07 135.00 134.87 1wen s PRO 53 Ca 0.94 1.33 0.10 0.00 0.04 0.00 0.00 61.00 63.41 1wen s PRO 53 Cb -1.34 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 1wen s PRO 53 CO 0.68 -1.37 -0.08 0.50 0.04 0.00 0.00 177.00 176.76 1wen s ARG 54 N -4.33 2.05 3.18 4.56 3.52 -1.26 -4.92 118.95 121.74 1wen s ARG 54 Ca 0.65 -1.52 0.00 0.00 -0.13 0.00 0.00 55.73 54.73 1wen s ARG 54 Cb -0.20 -2.03 0.00 0.00 -1.56 0.00 0.00 34.95 31.17 1wen s ARG 54 CO 0.46 0.36 0.00 0.41 -0.81 0.00 0.00 175.30 175.72 1wen n GLY 55 N -0.68 1.58 2.94 8.12 0.00 -1.26 -4.67 105.19 111.23 1wen n GLY 55 Ca -0.07 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 0.56 -0.14 1.61 -0.14 -1.26 -5.13 119.74 115.23 1wen s LYS 56 Ca 0.00 -0.17 -0.01 0.00 -1.36 0.00 0.00 55.97 54.42 1wen s LYS 56 Cb 0.00 -0.56 0.04 0.00 -1.68 0.00 0.00 37.83 35.63 1wen s LYS 56 CO 0.00 0.07 -0.02 -0.46 -0.76 0.00 0.00 175.35 174.18 1wen s TRP 57 N 0.18 1.26 -0.29 3.18 -0.00 -1.26 -5.09 118.94 116.92 1wen s TRP 57 Ca -0.02 -0.76 -0.09 0.00 -0.00 0.00 0.00 56.10 55.23 1wen s TRP 57 Cb -0.06 -1.11 -0.02 0.00 -0.00 0.00 0.00 33.47 32.29 1wen s TRP 57 CO -0.00 -0.53 0.14 -0.06 -0.00 0.00 0.00 176.95 176.49 1wen s PHE 58 N 1.78 3.16 0.74 5.86 0.08 -1.26 -2.82 117.98 125.52 1wen s PHE 58 Ca 0.02 -0.48 -0.17 0.00 0.12 0.00 0.00 56.93 56.42 1wen s PHE 58 Cb -0.15 -2.33 -0.11 0.00 -0.57 0.00 0.00 43.02 39.87 1wen s PHE 58 CO -0.07 -0.41 -0.10 0.00 -0.10 0.00 0.00 175.22 174.54 1wen n PRO 60 N 0.97 0.49 -0.03 0.00 -0.04 -1.26 -1.96 135.00 133.17 1wen n PRO 60 Ca 0.06 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.56 1wen n PRO 60 Cb 0.51 -1.30 -0.13 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.80 0.75 -0.12 0.54 1.74 -1.26 -3.58 116.66 113.93 1wen n ARG 61 Ca 0.07 -0.12 -0.23 0.00 -0.77 0.00 0.00 57.85 56.80 1wen n ARG 61 Cb 0.03 -1.42 -0.11 0.00 -1.02 0.00 0.00 32.46 29.94 1wen n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wen n SER 63 N -3.74 1.48 -3.59 0.00 2.88 -0.83 -4.88 113.62 104.95 1wen n SER 63 Ca -0.48 -2.11 -0.19 0.00 -1.33 0.00 0.00 58.87 54.76 1wen n SER 63 Cb 0.94 -0.44 -0.04 0.00 -0.75 0.00 0.00 64.21 63.91 1wen n SER 63 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wen n GLN 64 N 0.04 -0.89 -0.70 -1.46 3.00 -1.26 -4.73 117.38 111.37 1wen n GLN 64 Ca 0.04 -0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.94 1wen n GLN 64 Cb 0.33 -1.76 0.16 0.00 0.00 0.00 0.00 30.24 28.97 1wen n GLN 64 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1wen n GLU 65 N -3.03 2.31 -3.58 -1.09 4.07 -1.24 -4.74 120.64 113.34 1wen n GLU 65 Ca -0.16 -1.91 -0.25 0.00 -0.06 0.00 0.00 57.16 54.78 1wen n GLU 65 Cb 0.37 -1.81 -0.16 0.00 -0.06 0.00 0.00 31.44 29.78 1wen n GLU 65 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1wen s SER 66 N -0.45 2.23 -0.29 4.31 0.01 -1.26 -5.02 113.70 113.23 1wen s SER 66 Ca 0.35 -0.59 0.03 0.00 1.31 0.00 0.00 55.95 57.06 1wen s SER 66 Cb 0.29 -0.12 0.17 0.00 0.21 0.00 0.00 66.02 66.56 1wen s SER 66 CO 0.08 -0.35 0.45 -0.83 0.41 0.00 0.00 173.24 172.99 1wen s GLY 67 N 2.17 -0.72 0.08 3.44 0.00 -1.26 -5.12 107.32 105.91 1wen s GLY 67 Ca 0.03 0.36 -0.01 0.00 0.00 0.00 0.00 44.72 45.10 1wen s GLY 67 CO -0.12 3.19 0.07 -1.55 0.00 0.00 0.00 173.10 174.69 1wen n PRO 68 N 5.33 -1.17 -4.91 2.90 -0.04 -1.26 -5.07 135.00 130.78 1wen n PRO 68 Ca 0.02 -0.11 -0.27 0.00 -0.04 0.00 0.00 63.50 63.10 1wen n PRO 68 Cb 0.50 -0.11 -0.16 0.00 -0.04 0.00 0.00 33.50 33.70 1wen n PRO 68 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wen s SER 69 N -1.71 2.28 -0.94 3.54 1.04 -1.26 -5.08 113.70 111.58 1wen s SER 69 Ca 0.05 -0.37 -0.23 0.00 0.48 0.00 0.00 55.95 55.88 1wen s SER 69 Cb -0.00 -0.50 0.07 0.00 0.10 0.00 0.00 66.02 65.68 1wen s SER 69 CO 0.04 0.19 1.32 -0.44 0.98 0.00 0.00 173.24 175.33 1wen s SER 70 N -0.16 6.46 0.00 7.02 0.01 -1.26 -5.38 113.70 120.39 1wen s SER 70 Ca 0.00 -1.40 0.16 0.00 1.31 0.00 0.00 55.95 56.02 1wen s SER 70 Cb -0.10 -2.52 0.13 0.00 0.21 0.00 0.00 66.02 63.73 1wen s SER 70 CO 0.01 -1.46 1.00 0.61 0.41 0.00 0.00 173.24 173.82