#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 0.54 0.60 1.61 0.15 -1.26 -5.16 113.70 110.18 1wen s SER 2 Ca 0.00 0.33 -0.00 0.00 0.70 0.00 0.00 55.95 56.98 1wen s SER 2 Cb 0.00 0.27 0.05 0.00 -1.71 0.00 0.00 66.02 64.62 1wen s SER 2 CO 0.00 -0.22 0.84 -0.94 1.20 0.00 0.00 173.24 174.12 1wen s SER 3 N 2.04 5.08 -0.21 5.45 1.04 -1.26 -5.12 113.70 120.72 1wen s SER 3 Ca 0.00 0.01 -0.22 0.00 0.48 0.00 0.00 55.95 56.23 1wen s SER 3 Cb -0.12 -0.79 0.06 0.00 0.10 0.00 0.00 66.02 65.27 1wen s SER 3 CO -0.06 -1.31 0.60 -0.83 0.98 0.00 0.00 173.24 172.63 1wen s GLY 4 N -4.48 -0.46 0.12 7.32 0.00 -1.26 -5.17 107.32 103.39 1wen s GLY 4 Ca 0.59 1.64 -0.25 0.00 0.00 0.00 0.00 44.72 46.70 1wen s GLY 4 CO 0.40 1.40 0.87 -1.35 0.00 0.00 0.00 173.10 174.42 1wen s SER 5 N 0.16 -0.29 -0.19 1.64 1.04 -1.26 -5.16 113.70 109.66 1wen s SER 5 Ca -0.01 -0.27 -0.05 0.00 0.48 0.00 0.00 55.95 56.10 1wen s SER 5 Cb -0.04 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 1wen s SER 5 CO 0.02 -0.88 -0.01 -0.94 0.98 0.00 0.00 173.24 172.40 1wen s SER 6 N -2.78 4.84 -0.22 7.02 1.04 -1.26 -5.08 113.70 117.25 1wen s SER 6 Ca 0.09 -0.17 -0.28 0.00 0.48 0.00 0.00 55.95 56.07 1wen s SER 6 Cb -0.02 -1.82 0.13 0.00 0.10 0.00 0.00 66.02 64.42 1wen s SER 6 CO -0.02 0.10 1.05 -0.83 0.98 0.00 0.00 173.24 174.52 1wen s GLY 7 N 0.79 -0.17 -0.77 7.32 0.00 -1.26 -5.10 107.32 108.14 1wen s GLY 7 Ca -0.00 2.43 -0.26 0.00 0.00 0.00 0.00 44.72 46.89 1wen s GLY 7 CO 0.02 1.44 1.77 0.51 0.00 0.00 0.00 173.10 176.83 1wen s ASP 8 N -0.46 5.48 0.22 1.64 -4.77 -1.26 -4.95 116.67 112.58 1wen s ASP 8 Ca 0.01 -0.31 0.07 0.00 -3.30 0.00 0.00 52.55 49.03 1wen s ASP 8 Cb -0.03 -2.55 -0.05 0.00 -1.09 0.00 0.00 42.92 39.21 1wen s ASP 8 CO -0.03 -2.34 -0.12 -0.04 0.70 0.00 0.00 175.17 173.34 1wen s MET 9 N 6.63 1.38 0.69 2.11 -1.94 -1.26 -5.14 119.30 121.77 1wen s MET 9 Ca 0.61 -1.64 -0.14 0.00 -1.71 0.00 0.00 55.69 52.82 1wen s MET 9 Cb -0.09 -1.12 0.02 0.00 2.01 0.00 0.00 34.83 35.65 1wen s MET 9 CO 0.09 0.15 1.10 -1.25 -0.01 0.00 0.00 175.02 175.10 1wen s PRO 10 N -3.67 2.64 1.02 2.03 0.04 -1.26 -4.99 135.00 130.82 1wen s PRO 10 Ca 0.24 1.33 -0.23 0.00 0.04 0.00 0.00 61.00 62.38 1wen s PRO 10 Cb 0.00 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.50 1wen s PRO 10 CO 0.08 -1.37 -0.98 1.33 0.04 0.00 0.00 177.00 176.10 1wen n VAL 11 N -2.74 0.00 -3.54 -0.36 0.24 -1.26 -5.03 118.33 105.63 1wen n VAL 11 Ca 0.10 -0.16 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 1wen n VAL 11 Cb 0.52 -0.17 -0.05 0.00 -1.47 0.00 0.00 33.84 32.68 1wen n VAL 11 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1wen s ASP 12 N -1.24 -0.46 0.00 -1.34 1.11 -1.26 -5.02 116.67 108.45 1wen s ASP 12 Ca 0.42 0.14 0.13 0.00 0.18 0.00 0.00 52.55 53.42 1wen s ASP 12 Cb -0.01 0.52 0.79 0.00 1.07 0.00 0.00 42.92 45.29 1wen s ASP 12 CO 0.69 -0.77 1.22 -0.81 1.18 0.00 0.00 175.17 176.67 1wen n PRO 13 N 0.23 0.49 -0.13 8.23 -0.04 -1.26 -3.39 135.00 139.14 1wen n PRO 13 Ca -0.18 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.20 1wen n PRO 13 Cb 0.61 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 1wen n PRO 13 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 1wen h ASN 14 N 0.00 0.46 -4.16 3.54 7.08 -2.01 -3.43 115.58 117.05 1wen h ASN 14 Ca 0.00 -0.02 -0.28 0.00 -3.08 0.00 0.00 56.30 52.92 1wen h ASN 14 Cb 0.00 -0.12 -0.26 0.00 -2.08 0.00 0.00 38.32 35.86 1wen h ASN 14 CO 0.00 0.34 -0.74 -1.61 -2.08 0.00 0.00 177.43 173.35 1wen s GLU 15 N -6.12 0.36 0.32 4.14 0.41 -1.22 -5.14 118.70 111.45 1wen s GLU 15 Ca -0.13 -0.32 -0.29 0.00 -0.41 0.00 0.00 54.97 53.82 1wen s GLU 15 Cb 0.11 -0.26 -0.10 0.00 -1.78 0.00 0.00 34.13 32.09 1wen s GLU 15 CO 0.72 0.06 1.22 -1.25 -0.49 0.00 0.00 175.26 175.53 1wen s PRO 16 N -0.55 4.42 -0.19 0.39 0.04 -1.26 -4.79 135.00 133.07 1wen s PRO 16 Ca -0.03 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 62.96 1wen s PRO 16 Cb -0.04 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 1wen s PRO 16 CO -0.00 -0.06 0.12 0.95 0.04 0.00 0.00 177.00 178.05 1wen s THR 17 N -1.17 5.35 0.00 1.26 -4.23 -1.26 -4.08 115.64 111.51 1wen s THR 17 Ca 0.48 0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 61.14 1wen s THR 17 Cb -0.36 -3.42 -0.00 0.00 1.34 0.00 0.00 72.50 70.05 1wen s THR 17 CO 0.48 0.47 -0.03 -1.22 -0.54 0.00 0.00 174.62 173.78 1wen n TYR 18 N 3.28 0.00 -0.96 3.99 4.02 -1.21 -4.90 117.16 121.38 1wen n TYR 18 Ca -0.17 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.36 1wen n TYR 18 Cb 0.52 -0.04 0.05 0.00 -0.02 0.00 0.00 39.34 39.86 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 -1.11 0.58 -0.43 0.00 4.07 -1.97 -1.16 115.31 115.29 1wen h LEU 20 Ca -0.43 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.48 1wen h LEU 20 Cb 1.32 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.91 1wen h LEU 20 CO 0.25 0.45 0.17 0.00 -1.08 0.00 0.00 178.44 178.22 1wen n HIS 22 N -1.67 -1.87 -4.13 0.00 8.25 -0.44 -5.04 115.22 110.33 1wen n HIS 22 Ca -0.00 0.73 -0.24 0.00 -0.26 0.00 0.00 57.72 57.95 1wen n HIS 22 Cb 0.18 -4.21 -0.07 0.00 1.12 0.00 0.00 29.99 27.00 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 -4.69 2.29 0.65 -0.41 -1.52 -1.26 -4.89 119.66 109.83 1wen s GLN 23 Ca 0.16 -1.65 -0.10 0.00 -1.95 0.00 0.00 55.36 51.81 1wen s GLN 23 Cb -0.02 -2.09 -0.01 0.00 -0.22 0.00 0.00 33.01 30.67 1wen s GLN 23 CO 0.59 0.05 1.04 0.14 -0.25 0.00 0.00 175.29 176.87 1wen s VAL 24 N -2.48 4.06 -0.55 1.09 -7.23 -1.26 -3.31 120.40 110.72 1wen s VAL 24 Ca 0.38 0.59 -0.28 0.00 -1.81 0.00 0.00 61.98 60.86 1wen s VAL 24 Cb -0.01 -3.65 -0.10 0.00 0.56 0.00 0.00 36.38 33.18 1wen s VAL 24 CO 0.22 -0.84 2.44 -0.24 -0.31 0.00 0.00 175.10 176.37 1wen n SER 25 N -2.83 2.04 -3.71 4.85 2.88 -1.26 -4.87 113.62 110.72 1wen n SER 25 Ca 0.06 -0.28 -0.10 0.00 -1.33 0.00 0.00 58.87 57.22 1wen n SER 25 Cb 0.56 -1.45 -0.05 0.00 -0.75 0.00 0.00 64.21 62.52 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 11.10 -0.08 0.25 0.66 -0.85 -1.26 -5.14 117.35 122.03 1wen s TYR 26 Ca 1.05 -0.26 0.00 0.00 -0.52 0.00 0.00 57.07 57.35 1wen s TYR 26 Cb -0.41 0.21 0.00 0.00 0.38 0.00 0.00 41.96 42.14 1wen s TYR 26 CO 0.32 -0.72 0.00 0.41 -1.52 0.00 0.00 175.55 174.04 1wen n GLY 27 N -0.22 -1.58 3.72 5.49 0.00 -1.26 -4.65 105.19 106.68 1wen n GLY 27 Ca -0.14 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.73 4.18 0.21 1.61 8.01 -1.26 -4.95 118.70 124.77 1wen s GLU 28 Ca 0.00 2.44 0.02 0.00 0.01 0.00 0.00 54.97 57.44 1wen s GLU 28 Cb 0.00 -3.17 -0.05 0.00 -4.31 0.00 0.00 34.13 26.60 1wen s GLU 28 CO 0.00 -0.67 0.04 -1.64 0.01 0.00 0.00 175.26 173.00 1wen s MET 29 N 1.31 1.22 0.11 1.61 -1.94 -1.26 -1.05 119.30 119.30 1wen s MET 29 Ca 0.72 -1.62 0.00 0.00 -1.71 0.00 0.00 55.69 53.08 1wen s MET 29 Cb -0.45 -0.25 -0.04 0.00 2.01 0.00 0.00 34.83 36.09 1wen s MET 29 CO 0.32 -0.20 -0.00 0.96 -0.01 0.00 0.00 175.02 176.09 1wen s ILE 30 N -3.71 0.37 -0.43 2.53 -0.00 -1.00 -4.94 121.20 114.02 1wen s ILE 30 Ca 0.29 -1.90 -0.01 0.00 -0.00 0.00 0.00 60.65 59.02 1wen s ILE 30 Cb 0.07 -1.86 0.12 0.00 -0.00 0.00 0.00 42.46 40.78 1wen s ILE 30 CO 0.08 -0.68 0.21 -0.83 -0.00 0.00 0.00 174.94 173.72 1wen s GLY 31 N -3.04 2.07 0.31 6.27 0.00 -1.26 -3.18 107.32 108.50 1wen s GLY 31 Ca 0.17 -2.67 -0.18 0.00 0.00 0.00 0.00 44.72 42.05 1wen s GLY 31 CO -0.02 1.02 0.09 0.00 0.00 0.00 0.00 173.10 174.20 1wen h ASP 33 N 0.30 0.58 -2.40 0.00 5.19 -1.78 -3.45 116.42 114.86 1wen h ASP 33 Ca -0.29 -0.53 -0.53 0.00 -0.62 0.00 0.00 57.03 55.05 1wen h ASP 33 Cb 1.17 -0.18 0.02 0.00 0.18 0.00 0.00 39.33 40.52 1wen h ASP 33 CO 0.38 1.36 1.21 0.21 -3.12 0.00 0.00 179.24 179.29 1wen s ASN 34 N -7.20 6.46 0.32 6.45 2.47 -1.26 -4.87 114.94 117.30 1wen s ASN 34 Ca -0.06 2.66 0.11 0.00 0.42 0.00 0.00 52.86 55.99 1wen s ASN 34 Cb 0.07 -2.54 0.53 0.00 -1.45 0.00 0.00 41.25 37.87 1wen s ASN 34 CO 0.89 -1.04 1.72 1.55 -3.72 0.00 0.00 177.10 176.49 1wen h PRO 35 N 10.28 0.03 -0.38 0.43 0.13 -2.01 -3.09 132.00 137.38 1wen h PRO 35 Ca -0.49 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.47 1wen h PRO 35 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1wen h PRO 35 CO 0.94 0.51 -0.40 -0.44 -0.23 0.00 0.00 178.00 178.38 1wen h ASP 36 N 0.02 1.01 -0.64 1.44 3.32 -1.99 -3.45 116.42 116.13 1wen h ASP 36 Ca -0.00 -0.47 -0.56 0.00 0.02 0.00 0.00 57.03 56.02 1wen h ASP 36 Cb 0.87 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 40.15 1wen h ASP 36 CO 0.06 1.27 0.40 0.00 -1.72 0.00 0.00 179.24 179.26 1wen h SER 38 N 3.08 -0.18 0.02 0.00 0.87 -1.91 -3.35 113.55 112.09 1wen h SER 38 Ca -0.29 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1wen h SER 38 Cb 0.88 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1wen h SER 38 CO 0.61 -0.03 -0.01 0.40 -0.53 0.00 0.00 176.83 177.27 1wen h ILE 39 N -0.33 0.00 -1.85 2.23 2.04 -1.93 -3.47 117.51 114.20 1wen h ILE 39 Ca -0.02 -0.05 -0.29 0.00 1.00 0.00 0.00 64.86 65.50 1wen h ILE 39 Cb 0.26 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 1wen h ILE 39 CO 0.04 0.00 -0.36 1.21 0.00 0.00 0.00 178.15 179.04 1wen n GLU 40 N -2.22 -1.14 -3.47 2.37 0.00 -1.26 -4.97 120.64 109.95 1wen n GLU 40 Ca -0.00 0.76 0.01 0.00 0.00 0.00 0.00 57.16 57.93 1wen n GLU 40 Cb 0.01 -5.04 -0.04 0.00 0.00 0.00 0.00 31.44 26.37 1wen n GLU 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1wen s TRP 41 N -2.70 -1.01 0.29 4.31 0.52 -1.26 -2.93 118.94 116.17 1wen s TRP 41 Ca 0.00 1.64 0.04 0.00 0.02 0.00 0.00 56.10 57.80 1wen s TRP 41 Cb 0.00 0.57 -0.03 0.00 -1.15 0.00 0.00 33.47 32.85 1wen s TRP 41 CO 0.00 -0.51 0.22 -0.06 0.02 0.00 0.00 176.95 176.62 1wen s PHE 42 N 2.69 1.58 0.04 -1.98 0.40 -1.19 -3.03 117.98 116.48 1wen s PHE 42 Ca -0.02 -1.53 -0.00 0.00 -0.60 0.00 0.00 56.93 54.78 1wen s PHE 42 Cb -0.09 -0.71 -0.04 0.00 0.51 0.00 0.00 43.02 42.69 1wen s PHE 42 CO -0.18 -0.74 0.16 -1.01 0.70 0.00 0.00 175.22 174.15 1wen s HIS 43 N -3.65 3.43 0.02 0.36 3.76 -1.26 -2.39 115.29 115.56 1wen s HIS 43 Ca 0.39 0.23 -0.12 0.00 -0.15 0.00 0.00 55.06 55.41 1wen s HIS 43 Cb 0.04 -1.74 -0.07 0.00 1.11 0.00 0.00 32.58 31.92 1wen s HIS 43 CO 0.22 0.58 1.18 0.74 -0.85 0.00 0.00 174.74 176.61 1wen h PHE 44 N 3.42 -0.43 -0.94 1.40 -1.00 -1.41 0.12 116.94 118.11 1wen h PHE 44 Ca -0.47 -0.01 0.28 0.00 2.81 0.00 0.00 57.97 60.59 1wen h PHE 44 Cb 1.17 0.15 -0.15 0.00 3.61 0.00 0.00 35.95 40.73 1wen h PHE 44 CO 0.63 -0.25 0.38 0.00 -1.61 0.00 0.00 178.31 177.46 1wen h ALA 45 N -1.71 1.60 -0.28 2.45 0.00 -1.84 0.31 119.26 119.78 1wen h ALA 45 Ca -0.04 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1wen h ALA 45 Cb 0.33 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1wen h ALA 45 CO 0.05 -0.54 0.05 0.00 0.00 0.00 0.00 179.25 178.81 1wen n VAL 47 N -4.65 2.67 -3.72 0.00 0.24 0.89 -4.91 118.33 108.85 1wen n VAL 47 Ca -0.03 -1.56 -0.26 0.00 -2.04 0.00 0.00 64.34 60.45 1wen n VAL 47 Cb 0.20 -0.92 0.01 0.00 -1.47 0.00 0.00 33.84 31.66 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 -0.34 -0.81 2.88 7.63 0.00 -0.07 -4.90 105.19 109.58 1wen n GLY 48 Ca 0.39 0.36 -0.30 0.00 0.00 0.00 0.00 46.02 46.47 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 -5.45 3.94 0.30 0.99 1.43 -0.37 -4.96 118.68 114.56 1wen s LEU 49 Ca 0.17 -3.01 0.06 0.00 -1.03 0.00 0.00 54.13 50.32 1wen s LEU 49 Cb -0.10 -1.48 0.74 0.00 0.03 0.00 0.00 46.19 45.39 1wen s LEU 49 CO 0.70 -0.22 1.78 0.71 0.23 0.00 0.00 176.35 179.54 1wen h THR 50 N 5.31 0.71 -4.17 5.49 1.35 -1.90 -3.41 112.91 116.29 1wen h THR 50 Ca -0.04 -0.26 -0.16 0.00 -0.55 0.00 0.00 66.41 65.41 1wen h THR 50 Cb 0.89 -0.13 -0.13 0.00 -1.73 0.00 0.00 68.15 67.05 1wen h THR 50 CO 0.64 0.14 -0.42 0.28 -0.25 0.00 0.00 175.52 175.91 1wen s THR 51 N -5.85 0.02 -0.13 6.82 -1.32 -1.26 -5.07 115.64 108.85 1wen s THR 51 Ca -0.11 -1.71 -0.29 0.00 -1.21 0.00 0.00 61.69 58.37 1wen s THR 51 Cb 0.25 -2.26 -0.05 0.00 -1.51 0.00 0.00 72.50 68.93 1wen s THR 51 CO 0.80 -0.09 1.73 -0.75 -2.21 0.00 0.00 174.62 174.10 1wen s LYS 52 N -4.07 3.92 -0.50 7.08 2.20 -1.26 -4.92 119.74 122.19 1wen s LYS 52 Ca 0.29 2.01 -0.27 0.00 -0.36 0.00 0.00 55.97 57.63 1wen s LYS 52 Cb 0.04 -4.06 -0.02 0.00 -1.51 0.00 0.00 37.83 32.28 1wen s LYS 52 CO 0.08 -1.16 1.79 -1.25 -0.36 0.00 0.00 175.35 174.45 1wen s PRO 53 N 4.56 2.97 -0.47 4.03 0.04 -1.26 -4.92 135.00 139.94 1wen s PRO 53 Ca 0.77 0.91 -0.27 0.00 0.04 0.00 0.00 61.00 62.45 1wen s PRO 53 Cb -0.31 -4.28 -0.05 0.00 0.04 0.00 0.00 34.50 29.90 1wen s PRO 53 CO 0.31 -2.31 2.14 0.50 0.04 0.00 0.00 177.00 177.67 1wen s ARG 54 N 6.35 2.55 0.00 4.56 3.52 -1.26 -4.71 118.95 129.95 1wen s ARG 54 Ca 0.71 1.24 0.00 0.00 -0.13 0.00 0.00 55.73 57.54 1wen s ARG 54 Cb -0.16 -4.45 0.00 0.00 -1.56 0.00 0.00 34.95 28.78 1wen s ARG 54 CO 0.26 -2.78 0.00 0.41 -0.81 0.00 0.00 175.30 172.38 1wen n GLY 55 N 5.80 2.84 2.80 8.12 0.00 -1.26 -5.07 105.19 118.43 1wen n GLY 55 Ca 0.29 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 1wen n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wen n LYS 56 N -1.22 0.00 -3.76 1.61 5.02 -1.26 -4.97 118.16 113.59 1wen n LYS 56 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 1wen n LYS 56 Cb 0.00 -0.83 -0.17 0.00 -0.02 0.00 0.00 35.03 34.02 1wen n LYS 56 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1wen s TRP 57 N -0.84 0.13 -0.20 2.13 -0.00 -1.26 -5.08 118.94 113.83 1wen s TRP 57 Ca 0.53 0.14 -0.01 0.00 -0.00 0.00 0.00 56.10 56.75 1wen s TRP 57 Cb -0.76 -0.39 0.01 0.00 -0.00 0.00 0.00 33.47 32.32 1wen s TRP 57 CO 0.46 -0.15 -0.13 -0.06 -0.00 0.00 0.00 176.95 177.08 1wen s PHE 58 N 1.53 2.87 0.77 5.86 0.40 -1.26 -1.99 117.98 126.16 1wen s PHE 58 Ca -0.03 -1.35 -0.16 0.00 -0.60 0.00 0.00 56.93 54.78 1wen s PHE 58 Cb -0.13 -2.01 -0.08 0.00 0.51 0.00 0.00 43.02 41.32 1wen s PHE 58 CO -0.03 -0.70 0.05 0.00 0.70 0.00 0.00 175.22 175.24 1wen n PRO 60 N 0.43 0.49 -0.03 0.00 -0.04 -1.26 -2.18 135.00 132.41 1wen n PRO 60 Ca 0.06 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.50 1wen n PRO 60 Cb 0.51 -1.05 -0.06 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.35 2.38 -0.09 0.54 1.74 -1.26 -4.42 116.66 115.20 1wen n ARG 61 Ca 0.00 -0.01 -0.22 0.00 -0.77 0.00 0.00 57.85 56.84 1wen n ARG 61 Cb 0.02 -1.20 -0.12 0.00 -1.02 0.00 0.00 32.46 30.15 1wen n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wen h SER 63 N -0.83 -1.26 0.00 0.00 0.87 -1.72 -2.92 113.55 107.69 1wen h SER 63 Ca -0.39 0.09 -0.39 0.00 -1.23 0.00 0.00 61.79 59.86 1wen h SER 63 Cb 1.44 0.39 -0.02 0.00 -0.44 0.00 0.00 62.40 63.77 1wen h SER 63 CO -0.18 -0.69 1.52 0.00 -0.53 0.00 0.00 176.83 176.95 1wen n GLN 64 N -5.42 2.68 0.00 2.24 -0.00 -1.26 -3.82 117.38 111.80 1wen n GLN 64 Ca -0.13 -1.50 0.00 0.00 -0.00 0.00 0.00 57.00 55.37 1wen n GLN 64 Cb 0.46 -2.34 0.00 0.00 -0.00 0.00 0.00 30.24 28.36 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 3.02 0.00 -4.38 2.61 4.07 -1.10 -4.89 120.64 119.97 1wen n GLU 65 Ca 0.57 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 57.48 1wen n GLU 65 Cb 0.59 -0.71 -0.10 0.00 -0.06 0.00 0.00 31.44 31.16 1wen n GLU 65 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1wen s SER 66 N -4.48 2.78 0.00 4.31 0.15 -1.25 -5.14 113.70 110.08 1wen s SER 66 Ca 0.00 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 55.60 1wen s SER 66 Cb 0.00 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 1wen s SER 66 CO 0.00 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1wen n GLY 67 N -0.45 1.62 3.56 9.45 0.00 -1.26 -4.95 105.19 113.15 1wen n GLY 67 Ca -0.07 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 1wen n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wen s PRO 68 N 2.82 2.58 0.55 1.61 0.04 -1.26 -4.96 135.00 136.39 1wen s PRO 68 Ca 0.00 -0.07 -0.21 0.00 0.04 0.00 0.00 61.00 60.76 1wen s PRO 68 Cb 0.00 -4.89 -0.05 0.00 0.04 0.00 0.00 34.50 29.60 1wen s PRO 68 CO 0.00 -3.21 1.33 0.45 0.04 0.00 0.00 177.00 175.61 1wen s SER 69 N 8.03 5.27 0.75 6.66 0.15 -1.26 -4.99 113.70 128.32 1wen s SER 69 Ca 0.69 2.69 -0.11 0.00 0.70 0.00 0.00 55.95 59.92 1wen s SER 69 Cb -0.08 -2.63 0.04 0.00 -1.71 0.00 0.00 66.02 61.64 1wen s SER 69 CO 0.05 -1.56 1.08 -0.44 1.20 0.00 0.00 173.24 173.56 1wen s SER 70 N -1.07 4.83 0.00 5.45 0.01 -1.26 -5.30 113.70 116.35 1wen s SER 70 Ca 0.72 1.67 0.00 0.00 1.31 0.00 0.00 55.95 59.66 1wen s SER 70 Cb -0.38 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.39 1wen s SER 70 CO 0.45 -1.81 0.00 0.61 0.41 0.00 0.00 173.24 172.90