#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wun s VAL 17 N 0.00 4.49 0.00 1.39 1.01 0.10 -4.10 120.40 123.29 1wun s VAL 17 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1wun s VAL 17 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1wun s VAL 17 CO 0.00 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1wun n GLY 18 N 4.95 0.45 0.00 4.51 0.00 -1.25 -2.07 105.19 111.77 1wun n GLY 18 Ca -0.16 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1wun n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wun n GLY 19 N -2.92 2.95 3.30 -0.02 0.00 -1.26 -4.90 105.19 102.35 1wun n GLY 19 Ca 0.00 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 1wun n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wun s LYS 20 N 2.98 1.20 0.32 1.61 1.02 -0.69 -4.94 119.74 121.23 1wun s LYS 20 Ca 0.00 -1.40 -0.29 0.00 0.02 0.00 0.00 55.97 54.31 1wun s LYS 20 Cb 0.00 0.33 -0.10 0.00 -0.52 0.00 0.00 37.83 37.54 1wun s LYS 20 CO 0.00 -0.42 1.40 0.08 -0.92 0.00 0.00 175.35 175.49 1wun s VAL 21 N -4.06 2.53 -0.39 3.17 1.01 -1.26 0.45 120.40 121.85 1wun s VAL 21 Ca 0.27 0.50 -0.23 0.00 0.00 0.00 0.00 61.98 62.51 1wun s VAL 21 Cb 0.05 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 33.12 1wun s VAL 21 CO 0.06 0.11 0.79 0.00 0.00 0.00 0.00 175.10 176.06 1wun n PRO 23 N 6.54 0.95 -1.72 0.00 -0.02 -1.26 -4.69 135.00 134.80 1wun n PRO 23 Ca 0.03 0.34 -0.63 0.00 -2.02 0.00 0.00 63.50 61.22 1wun n PRO 23 Cb 0.48 -1.97 -0.09 0.00 -0.02 0.00 0.00 33.50 31.91 1wun n PRO 23 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1wun n LYS 24 N 2.69 0.46 0.00 -0.52 4.81 -1.26 -0.40 118.16 123.94 1wun n LYS 24 Ca 0.20 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 1wun n LYS 24 Cb 0.16 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.47 1wun n LYS 24 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wun n GLY 25 N 3.88 3.12 0.62 3.14 0.00 -1.26 -4.92 105.19 109.77 1wun n GLY 25 Ca 0.28 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.38 1wun n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wun n GLU 26 N -1.72 1.79 -2.67 1.61 1.02 0.47 -3.79 120.64 117.35 1wun n GLU 26 Ca 0.00 -1.22 -0.08 0.00 -0.02 0.00 0.00 57.16 55.84 1wun n GLU 26 Cb 0.00 -1.34 0.04 0.00 -0.02 0.00 0.00 31.44 30.13 1wun n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wun h PRO 28 N 2.83 0.00 -0.02 0.00 0.13 -1.79 -2.18 132.00 130.98 1wun h PRO 28 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1wun h PRO 28 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wun h PRO 28 CO 0.40 0.00 -0.32 -2.67 -0.23 0.00 0.00 178.00 175.18 1wun n TRP 29 N -2.60 0.00 -2.09 1.56 2.14 -1.04 -2.04 117.44 113.37 1wun n TRP 29 Ca -0.02 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.14 1wun n TRP 29 Cb 0.10 -0.03 -0.02 0.00 -0.81 0.00 0.00 31.31 30.55 1wun n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1wun s GLN 30 N -2.38 4.32 0.02 -2.67 2.00 -0.82 -1.59 119.66 118.54 1wun s GLN 30 Ca 0.23 2.23 0.08 0.00 -2.00 0.00 0.00 55.36 55.90 1wun s GLN 30 Cb 0.19 -3.11 -0.03 0.00 0.80 0.00 0.00 33.01 30.87 1wun s GLN 30 CO 0.51 -0.30 -0.25 0.08 -0.50 0.00 0.00 175.29 174.83 1wun s VAL 31 N -0.47 2.25 -0.23 1.34 1.01 -0.24 -4.43 120.40 119.63 1wun s VAL 31 Ca 0.54 -1.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 1wun s VAL 31 Cb -0.40 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 1wun s VAL 31 CO 0.47 0.44 0.02 -0.22 0.00 0.00 0.00 175.10 175.81 1wun s LEU 32 N -1.03 3.25 -0.15 3.92 2.96 -0.57 -1.68 118.68 125.38 1wun s LEU 32 Ca 0.12 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 53.71 1wun s LEU 32 Cb -0.10 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 1wun s LEU 32 CO 0.01 0.00 0.08 -0.76 -1.32 0.00 0.00 176.35 174.36 1wun s LEU 33 N 1.39 3.94 0.11 -0.68 1.43 0.44 0.03 118.68 125.34 1wun s LEU 33 Ca 0.05 0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.40 1wun s LEU 33 Cb -0.15 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1wun s LEU 33 CO 0.01 0.26 -0.16 -0.76 0.23 0.00 0.00 176.35 175.93 1wun s LEU 34 N -0.14 2.34 -0.07 1.79 1.43 0.12 -0.31 118.68 123.84 1wun s LEU 34 Ca 0.08 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1wun s LEU 34 Cb -0.12 -0.66 0.02 0.00 0.03 0.00 0.00 46.19 45.46 1wun s LEU 34 CO 0.01 -0.06 -0.06 0.54 0.23 0.00 0.00 176.35 177.01 1wun s VAL 35 N -1.61 0.80 -1.51 -1.59 0.11 0.03 -0.33 120.40 116.30 1wun s VAL 35 Ca 0.06 -0.21 -0.13 0.00 -2.93 0.00 0.00 61.98 58.76 1wun s VAL 35 Cb -0.08 -0.81 0.08 0.00 -1.53 0.00 0.00 36.38 34.04 1wun s VAL 35 CO 0.04 0.30 0.99 0.59 -3.33 0.00 0.00 175.10 173.69 1wun n ASN 37 N 4.44 -4.80 0.00 3.54 3.02 -0.76 -0.33 115.26 120.37 1wun n ASN 37 Ca -0.18 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 1wun n ASN 37 Cb 0.51 -3.97 0.00 0.00 -0.61 0.00 0.00 39.78 35.70 1wun n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wun n GLY 38 N -1.72 0.47 3.88 7.41 0.00 -1.26 -4.98 105.19 109.00 1wun n GLY 38 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1wun n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wun s ALA 39 N -2.39 3.87 0.19 4.61 0.00 0.56 -5.02 121.76 123.58 1wun s ALA 39 Ca 0.00 -0.61 -0.32 0.00 0.00 0.00 0.00 51.96 51.03 1wun s ALA 39 Cb 0.00 -2.02 -0.12 0.00 0.00 0.00 0.00 23.12 20.98 1wun s ALA 39 CO 0.00 0.65 1.75 -1.14 0.00 0.00 0.00 175.76 177.02 1wun s GLN 40 N -1.57 4.12 0.00 0.00 0.74 -1.26 -0.79 119.66 120.91 1wun s GLN 40 Ca 0.24 2.62 -0.03 0.00 0.05 0.00 0.00 55.36 58.23 1wun s GLN 40 Cb -0.13 -3.17 -0.02 0.00 1.10 0.00 0.00 33.01 30.80 1wun s GLN 40 CO 0.13 -0.77 -0.07 -0.11 -0.55 0.00 0.00 175.29 173.92 1wun n LEU 41 N 4.30 0.89 0.00 3.68 7.94 0.58 -4.82 117.00 129.56 1wun n LEU 41 Ca 0.16 0.13 -0.07 0.00 -1.11 0.00 0.00 56.01 55.12 1wun n LEU 41 Cb 0.36 -0.30 0.03 0.00 0.53 0.00 0.00 43.42 44.03 1wun n LEU 41 CO 0.64 -0.33 0.61 0.00 -1.11 0.00 0.00 177.39 177.20 1wun s GLY 43 N -3.18 1.77 0.15 0.00 0.00 0.62 -0.42 107.32 106.27 1wun s GLY 43 Ca 0.18 -2.08 -0.24 0.00 0.00 0.00 0.00 44.72 42.58 1wun s GLY 43 CO 0.10 -1.68 1.05 -0.32 0.00 0.00 0.00 173.10 172.25 1wun s GLY 44 N -4.63 -0.01 -0.05 0.20 0.00 -0.67 -3.82 107.32 98.34 1wun s GLY 44 Ca 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 45.18 1wun s GLY 44 CO 0.38 1.90 -0.03 -1.59 0.00 0.00 0.00 173.10 173.75 1wun s THR 45 N -2.42 0.49 0.02 0.90 2.01 0.21 -1.08 115.64 115.76 1wun s THR 45 Ca 0.20 -0.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.86 1wun s THR 45 Cb -0.02 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1wun s THR 45 CO 0.04 0.23 0.88 -0.22 -0.69 0.00 0.00 174.62 174.85 1wun s LEU 46 N 1.17 4.40 0.00 4.42 2.96 -0.62 0.22 118.68 131.23 1wun s LEU 46 Ca -0.07 1.55 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 1wun s LEU 46 Cb -0.14 -3.41 0.00 0.00 0.50 0.00 0.00 46.19 43.15 1wun s LEU 46 CO -0.01 -0.14 0.35 2.30 -1.32 0.00 0.00 176.35 177.53 1wun n ILE 47 N 3.46 0.00 -3.82 6.68 -5.35 -0.92 -0.25 119.36 119.16 1wun n ILE 47 Ca 0.02 -0.49 -0.00 0.00 -0.27 0.00 0.00 62.75 62.00 1wun n ILE 47 Cb 0.51 1.01 0.01 0.00 -1.74 0.00 0.00 39.64 39.42 1wun n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1wun s ASN 48 N -0.28 -0.04 0.41 7.28 2.20 -1.25 -4.67 114.94 118.59 1wun s ASN 48 Ca 0.00 -0.36 0.28 0.00 -0.94 0.00 0.00 52.86 51.85 1wun s ASN 48 Cb 0.00 0.31 1.44 0.00 -2.00 0.00 0.00 41.25 41.01 1wun s ASN 48 CO 0.00 -0.60 1.87 0.71 -2.94 0.00 0.00 177.10 176.14 1wun h THR 49 N 2.00 0.00 0.00 0.54 1.35 -1.97 -3.25 112.91 111.58 1wun h THR 49 Ca -0.26 -0.10 -0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1wun h THR 49 Cb 1.21 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1wun h THR 49 CO 0.31 0.00 -1.06 -0.38 -0.25 0.00 0.00 175.52 174.14 1wun n ILE 50 N -2.52 0.00 -4.64 6.82 5.41 -1.26 -1.19 119.36 121.98 1wun n ILE 50 Ca -0.01 -0.03 -0.33 0.00 1.00 0.00 0.00 62.75 63.39 1wun n ILE 50 Cb 0.11 0.44 -0.12 0.00 -0.71 0.00 0.00 39.64 39.36 1wun n ILE 50 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 1wun s TRP 51 N -2.08 2.83 -0.05 1.39 0.52 -1.23 -0.84 118.94 119.48 1wun s TRP 51 Ca -0.00 -0.07 0.03 0.00 0.02 0.00 0.00 56.10 56.08 1wun s TRP 51 Cb 0.01 -1.63 0.00 0.00 -1.15 0.00 0.00 33.47 30.70 1wun s TRP 51 CO 0.05 0.30 -0.15 0.08 0.02 0.00 0.00 176.95 177.25 1wun s VAL 52 N -0.86 1.30 -0.17 4.03 1.01 -0.18 -2.18 120.40 123.34 1wun s VAL 52 Ca 0.14 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 1wun s VAL 52 Cb -0.11 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1wun s VAL 52 CO 0.04 0.38 0.11 -0.69 0.00 0.00 0.00 175.10 174.93 1wun s VAL 53 N 0.24 5.19 0.00 2.92 1.01 0.13 0.31 120.40 130.21 1wun s VAL 53 Ca -0.07 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1wun s VAL 53 Cb -0.13 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1wun s VAL 53 CO 0.03 0.49 0.00 -0.24 0.00 0.00 0.00 175.10 175.37 1wun n SER 54 N 3.18 0.00 -4.72 3.32 2.88 0.48 0.67 113.62 119.43 1wun n SER 54 Ca -0.17 -0.22 -0.35 0.00 -1.33 0.00 0.00 58.87 56.79 1wun n SER 54 Cb 0.53 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.90 1wun n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wun s ALA 55 N -1.83 3.40 0.22 -1.46 0.00 -1.26 -1.04 121.76 119.79 1wun s ALA 55 Ca 0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 51.96 51.11 1wun s ALA 55 Cb 0.00 -1.58 0.17 0.00 0.00 0.00 0.00 23.12 21.71 1wun s ALA 55 CO 0.00 0.60 1.80 0.00 0.00 0.00 0.00 175.76 178.16 1wun h ALA 56 N 5.12 1.05 0.00 0.00 0.00 -1.70 -2.76 119.26 120.97 1wun h ALA 56 Ca -0.52 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1wun h ALA 56 Cb 1.20 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1wun h ALA 56 CO 0.55 0.63 0.00 -2.39 0.00 0.00 0.00 179.25 178.04 1wun n HIS 57 N -4.32 0.46 0.39 0.00 1.44 -1.26 -1.60 115.22 110.34 1wun n HIS 57 Ca 0.08 0.22 0.06 0.00 -2.01 0.00 0.00 57.72 56.06 1wun n HIS 57 Cb 0.15 -0.85 0.27 0.00 0.12 0.00 0.00 29.99 29.68 1wun n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1wun n PHE 59 N -1.56 0.23 -0.30 0.00 3.72 -0.62 -4.74 117.46 114.18 1wun n PHE 59 Ca 0.03 -0.70 0.02 0.00 -0.05 0.00 0.00 57.45 56.75 1wun n PHE 59 Cb 0.14 -0.11 0.16 0.00 -0.94 0.00 0.00 39.48 38.73 1wun n PHE 59 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1wun h ASP 60 N 0.66 0.75 -0.33 4.37 5.19 -1.62 -3.11 116.42 122.32 1wun h ASP 60 Ca 0.00 0.04 -0.16 0.00 -0.62 0.00 0.00 57.03 56.28 1wun h ASP 60 Cb 0.82 -0.11 -0.10 0.00 0.18 0.00 0.00 39.33 40.12 1wun h ASP 60 CO 0.03 0.44 -0.10 0.29 -3.12 0.00 0.00 179.24 176.78 1wun n LYS 60 N -4.69 1.85 -2.72 3.56 4.01 -1.26 -5.02 118.16 113.89 1wun n LYS 60 Ca 0.13 -3.18 -0.41 0.00 -0.51 0.00 0.00 58.31 54.34 1wun n LYS 60 Cb 0.25 -1.81 -0.05 0.00 -0.51 0.00 0.00 35.03 32.91 1wun n LYS 60 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1wun s ILE 60 N -3.24 4.38 -0.06 -0.18 -1.09 -1.18 -4.93 121.20 114.90 1wun s ILE 60 Ca 0.44 2.05 -0.02 0.00 -2.23 0.00 0.00 60.65 60.89 1wun s ILE 60 Cb 0.40 -4.31 -0.03 0.00 -1.58 0.00 0.00 42.46 36.95 1wun s ILE 60 CO -0.00 0.35 -0.07 1.17 -1.23 0.00 0.00 174.94 175.16 1wun n LYS 60 N 2.51 0.13 -2.99 2.79 4.81 -1.26 -4.83 118.16 119.32 1wun n LYS 60 Ca 0.02 0.05 -0.44 0.00 -0.87 0.00 0.00 58.31 57.06 1wun n LYS 60 Cb 0.49 -0.88 0.00 0.00 0.02 0.00 0.00 35.03 34.66 1wun n LYS 60 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1wun n ASN 60 N -3.03 5.31 0.18 3.14 3.02 -1.26 -4.83 115.26 117.80 1wun n ASN 60 Ca -0.11 -3.01 0.11 0.00 -0.03 0.00 0.00 54.58 51.54 1wun n ASN 60 Cb 0.59 -1.51 0.61 0.00 -0.61 0.00 0.00 39.78 38.86 1wun n ASN 60 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1wun h TRP 61 N 6.87 0.00 -0.01 3.10 4.06 -2.01 0.02 115.95 127.97 1wun h TRP 61 Ca 0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.24 1wun h TRP 61 Cb 0.84 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.00 1wun h TRP 61 CO 1.03 0.00 -0.15 0.54 -3.56 0.00 0.00 178.44 176.30 1wun n ARG 62 N -2.30 1.19 -0.89 0.49 5.12 -1.26 -4.06 116.66 114.94 1wun n ARG 62 Ca -0.01 -0.71 -0.08 0.00 -1.93 0.00 0.00 57.85 55.12 1wun n ARG 62 Cb 0.10 -1.49 0.20 0.00 -1.16 0.00 0.00 32.46 30.12 1wun n ARG 62 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1wun n ASN 63 N -0.28 2.93 -4.67 0.55 3.02 -0.00 -4.96 115.26 111.83 1wun n ASN 63 Ca 0.15 -3.68 -0.39 0.00 -0.03 0.00 0.00 54.58 50.63 1wun n ASN 63 Cb 0.36 -0.68 -0.07 0.00 -0.61 0.00 0.00 39.78 38.78 1wun n ASN 63 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wun s LEU 64 N -3.23 4.17 0.02 3.41 1.43 -1.26 -1.83 118.68 121.39 1wun s LEU 64 Ca 0.48 0.66 0.08 0.00 -1.03 0.00 0.00 54.13 54.32 1wun s LEU 64 Cb 0.42 -2.67 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 1wun s LEU 64 CO 0.03 -0.13 -0.23 -0.63 0.23 0.00 0.00 176.35 175.62 1wun s ILE 65 N 1.40 1.86 -0.13 -0.59 -1.09 0.55 -1.15 121.20 122.05 1wun s ILE 65 Ca 0.23 -1.15 0.03 0.00 -2.23 0.00 0.00 60.65 57.53 1wun s ILE 65 Cb -0.15 -1.58 0.01 0.00 -1.58 0.00 0.00 42.46 39.16 1wun s ILE 65 CO 0.09 0.39 -0.22 0.00 -1.23 0.00 0.00 174.94 173.98 1wun s ALA 66 N -0.68 2.26 -0.14 9.38 0.00 -0.55 0.11 121.76 132.15 1wun s ALA 66 Ca 0.09 -1.06 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 1wun s ALA 66 Cb -0.09 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 1wun s ALA 66 CO 0.01 0.04 -0.13 0.08 0.00 0.00 0.00 175.76 175.76 1wun s VAL 67 N 0.71 3.02 0.14 0.00 1.01 0.10 -1.50 120.40 123.88 1wun s VAL 67 Ca -0.09 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.28 1wun s VAL 67 Cb -0.16 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1wun s VAL 67 CO 0.01 0.52 -0.01 -0.76 0.00 0.00 0.00 175.10 174.85 1wun s LEU 68 N 0.46 3.33 -0.15 3.92 1.02 0.35 -1.51 118.68 126.09 1wun s LEU 68 Ca -0.10 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 53.72 1wun s LEU 68 Cb -0.16 -2.02 0.00 0.00 0.02 0.00 0.00 46.19 44.03 1wun s LEU 68 CO 0.05 0.12 0.00 0.61 0.02 0.00 0.00 176.35 177.15 1wun n GLY 69 N 0.17 0.51 3.84 -3.19 0.00 -1.26 -0.85 105.19 104.42 1wun n GLY 69 Ca -0.10 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 1wun n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wun s GLU 70 N -1.49 2.89 0.18 1.61 0.41 -1.26 -4.09 118.70 116.95 1wun s GLU 70 Ca 0.00 0.73 0.00 0.00 -0.41 0.00 0.00 54.97 55.29 1wun s GLU 70 Cb 0.00 -2.00 0.00 0.00 -1.78 0.00 0.00 34.13 30.35 1wun s GLU 70 CO 0.00 -1.07 0.00 1.58 -0.49 0.00 0.00 175.26 175.28 1wun n HIS 71 N -3.08 -3.18 -3.64 1.61 -0.00 -1.26 -4.91 115.22 100.76 1wun n HIS 71 Ca 0.07 0.61 -0.40 0.00 -0.00 0.00 0.00 57.72 58.00 1wun n HIS 71 Cb 0.55 1.80 -0.11 0.00 -0.00 0.00 0.00 29.99 32.23 1wun n HIS 71 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1wun s ASP 72 N -1.68 5.58 0.00 0.26 -1.08 -1.26 -1.31 116.67 117.18 1wun s ASP 72 Ca 0.00 -1.38 0.08 0.00 -0.52 0.00 0.00 52.55 50.74 1wun s ASP 72 Cb 0.00 -1.96 0.50 0.00 -1.46 0.00 0.00 42.92 40.00 1wun s ASP 72 CO 0.00 -0.47 0.97 0.18 0.52 0.00 0.00 175.17 176.37 1wun n LEU 73 N 4.90 0.00 -0.56 -1.34 4.77 0.11 -2.07 117.00 122.81 1wun n LEU 73 Ca -0.10 0.02 0.07 0.00 -0.03 0.00 0.00 56.01 55.96 1wun n LEU 73 Cb 0.44 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.58 1wun n LEU 73 CO 0.37 -0.02 0.49 -1.54 -1.33 0.00 0.00 177.39 175.36 1wun n SER 74 N -1.02 2.27 -3.74 -1.43 3.41 -1.26 -4.96 113.62 106.89 1wun n SER 74 Ca 0.06 -1.63 -0.14 0.00 -0.26 0.00 0.00 58.87 56.90 1wun n SER 74 Cb 0.03 -0.05 -0.15 0.00 -0.26 0.00 0.00 64.21 63.79 1wun n SER 74 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1wun s GLU 75 N -1.08 0.08 -0.06 4.33 2.12 -0.88 -5.15 118.70 118.07 1wun s GLU 75 Ca 0.17 0.39 -0.15 0.00 0.36 0.00 0.00 54.97 55.74 1wun s GLU 75 Cb 0.12 -0.20 -0.05 0.00 0.26 0.00 0.00 34.13 34.26 1wun s GLU 75 CO 0.17 -0.19 0.41 -1.01 -0.54 0.00 0.00 175.26 174.10 1wun s HIS 76 N 1.32 3.63 0.21 5.30 3.76 -1.26 -4.70 115.29 123.55 1wun s HIS 76 Ca -0.08 0.90 -0.00 0.00 -0.15 0.00 0.00 55.06 55.73 1wun s HIS 76 Cb -0.12 -2.37 -0.04 0.00 1.11 0.00 0.00 32.58 31.17 1wun s HIS 76 CO -0.06 0.45 0.14 0.16 -0.85 0.00 0.00 174.74 174.58 1wun s ASP 77 N -0.37 0.36 0.00 1.40 1.47 -1.26 -5.05 116.67 113.22 1wun s ASP 77 Ca 0.23 -1.42 0.12 0.00 1.18 0.00 0.00 52.55 52.66 1wun s ASP 77 Cb -0.16 0.37 0.64 0.00 -0.34 0.00 0.00 42.92 43.44 1wun s ASP 77 CO 0.11 -0.85 1.23 0.61 0.68 0.00 0.00 175.17 176.96 1wun n GLY 78 N -0.31 -0.56 0.04 2.12 0.00 -1.26 -2.80 105.19 102.42 1wun n GLY 78 Ca 0.02 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.11 1wun n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wun n ASP 79 N -1.17 0.29 -4.74 1.61 8.00 -1.26 -4.85 116.55 114.43 1wun n ASP 79 Ca 0.07 -0.09 -0.41 0.00 0.71 0.00 0.00 54.79 55.07 1wun n ASP 79 Cb 0.07 -0.15 -0.05 0.00 -0.02 0.00 0.00 41.12 40.97 1wun n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1wun s GLU 80 N -2.80 4.68 -0.06 -1.24 2.02 -1.12 -4.15 118.70 116.03 1wun s GLU 80 Ca 0.19 1.38 -0.01 0.00 0.02 0.00 0.00 54.97 56.55 1wun s GLU 80 Cb 0.19 -3.36 0.03 0.00 0.10 0.00 0.00 34.13 31.09 1wun s GLU 80 CO 0.55 0.27 -0.01 -0.65 0.02 0.00 0.00 175.26 175.44 1wun s GLN 81 N -0.17 0.67 -0.07 1.61 -0.21 -0.03 -4.98 119.66 116.48 1wun s GLN 81 Ca 0.44 0.05 -0.01 0.00 0.02 0.00 0.00 55.36 55.86 1wun s GLN 81 Cb -0.23 -0.94 -0.03 0.00 1.00 0.00 0.00 33.01 32.81 1wun s GLN 81 CO 0.29 -0.25 -0.00 -1.12 -2.12 0.00 0.00 175.29 172.09 1wun s SER 82 N 1.69 5.16 -0.00 5.90 0.01 -1.26 -0.50 113.70 124.70 1wun s SER 82 Ca 0.01 0.11 -0.02 0.00 1.31 0.00 0.00 55.95 57.36 1wun s SER 82 Cb -0.13 -1.42 -0.00 0.00 0.21 0.00 0.00 66.02 64.67 1wun s SER 82 CO -0.04 0.36 0.04 -0.13 0.41 0.00 0.00 173.24 173.88 1wun s ARG 83 N -0.97 0.20 0.32 12.44 1.81 -0.56 -5.01 118.95 127.18 1wun s ARG 83 Ca 0.14 -0.22 -0.27 0.00 -1.72 0.00 0.00 55.73 53.66 1wun s ARG 83 Cb -0.11 0.08 -0.09 0.00 -0.45 0.00 0.00 34.95 34.37 1wun s ARG 83 CO 0.03 -0.04 1.01 1.03 -0.68 0.00 0.00 175.30 176.65 1wun s ARG 84 N -0.66 4.52 -0.41 3.54 0.52 -1.26 -1.48 118.95 123.72 1wun s ARG 84 Ca -0.07 1.50 -0.24 0.00 -0.52 0.00 0.00 55.73 56.41 1wun s ARG 84 Cb -0.05 -2.88 0.02 0.00 0.52 0.00 0.00 34.95 32.57 1wun s ARG 84 CO -0.00 0.18 0.81 0.08 0.02 0.00 0.00 175.30 176.39 1wun s VAL 85 N -1.47 4.66 -0.52 3.52 1.01 -0.30 -0.61 120.40 126.68 1wun s VAL 85 Ca 0.50 0.73 0.24 0.00 0.00 0.00 0.00 61.98 63.45 1wun s VAL 85 Cb -0.23 -4.28 0.16 0.00 0.00 0.00 0.00 36.38 32.03 1wun s VAL 85 CO 0.30 -0.59 1.43 0.00 0.00 0.00 0.00 175.10 176.24 1wun h ALA 86 N 8.73 0.76 -1.97 5.51 0.00 -1.22 -3.45 119.26 127.62 1wun h ALA 86 Ca -0.25 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1wun h ALA 86 Cb 1.09 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.66 1wun h ALA 86 CO 0.95 0.00 0.10 -1.14 0.00 0.00 0.00 179.25 179.16 1wun s GLN 87 N -3.21 0.76 -0.28 0.00 0.74 -1.09 -4.46 119.66 112.13 1wun s GLN 87 Ca 0.06 1.07 0.03 0.00 0.05 0.00 0.00 55.36 56.57 1wun s GLN 87 Cb 0.10 0.28 0.07 0.00 1.10 0.00 0.00 33.01 34.57 1wun s GLN 87 CO 0.70 -0.12 -0.06 0.08 -0.55 0.00 0.00 175.29 175.33 1wun s VAL 88 N 0.92 2.11 -0.21 1.34 1.01 -0.58 -0.97 120.40 124.02 1wun s VAL 88 Ca -0.04 -1.76 -0.09 0.00 0.00 0.00 0.00 61.98 60.09 1wun s VAL 88 Cb -0.05 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 1wun s VAL 88 CO -0.08 -0.18 0.12 -0.63 0.00 0.00 0.00 175.10 174.33 1wun s ILE 89 N 1.09 5.20 0.03 2.22 1.01 0.12 -1.47 121.20 129.40 1wun s ILE 89 Ca -0.04 0.12 0.05 0.00 0.00 0.00 0.00 60.65 60.78 1wun s ILE 89 Cb -0.20 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 1wun s ILE 89 CO -0.06 0.40 -0.14 -0.63 0.00 0.00 0.00 174.94 174.51 1wun s ILE 90 N 0.69 1.14 0.35 2.92 1.01 -0.39 -1.08 121.20 125.86 1wun s ILE 90 Ca 0.07 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 1wun s ILE 90 Cb -0.12 -1.01 -0.11 0.00 0.01 0.00 0.00 42.46 41.22 1wun s ILE 90 CO 0.01 0.10 1.52 -2.84 0.00 0.00 0.00 174.94 173.73 1wun s PRO 91 N -0.92 4.12 0.65 2.79 0.02 -1.26 -1.50 135.00 138.90 1wun s PRO 91 Ca 0.03 2.57 0.42 0.00 0.02 0.00 0.00 61.00 64.03 1wun s PRO 91 Cb -0.07 -2.99 2.31 0.00 0.02 0.00 0.00 34.50 33.77 1wun s PRO 91 CO 0.01 -0.56 2.35 0.77 -0.33 0.00 0.00 177.00 179.24 1wun h SER 92 N 3.59 0.00 0.52 2.53 0.02 -0.72 -1.08 113.55 118.41 1wun h SER 92 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1wun h SER 92 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1wun h SER 92 CO 0.69 0.00 -0.13 0.35 -1.14 0.00 0.00 176.83 176.60 1wun n THR 93 N -3.25 0.00 -2.73 -2.27 -2.24 -1.26 -4.86 114.28 97.67 1wun n THR 93 Ca -0.03 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.30 1wun n THR 93 Cb 0.07 -0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.10 1wun n THR 93 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1wun s TYR 94 N -2.66 3.81 -0.23 4.78 5.04 -0.41 -4.92 117.35 122.77 1wun s TYR 94 Ca 0.23 1.80 -0.03 0.00 -2.44 0.00 0.00 57.07 56.64 1wun s TYR 94 Cb 0.19 -3.05 0.01 0.00 0.35 0.00 0.00 41.96 39.46 1wun s TYR 94 CO 0.52 0.21 -0.07 0.08 -1.34 0.00 0.00 175.55 174.95 1wun s VAL 95 N -0.02 3.05 0.25 3.14 1.01 -1.26 -4.99 120.40 121.58 1wun s VAL 95 Ca 0.47 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 1wun s VAL 95 Cb -0.23 -2.44 -0.14 0.00 0.00 0.00 0.00 36.38 33.56 1wun s VAL 95 CO 0.30 0.35 1.08 -2.65 0.00 0.00 0.00 175.10 174.18 1wun n PRO 96 N 4.73 1.34 0.00 2.72 -0.02 -1.26 -1.31 135.00 141.20 1wun n PRO 96 Ca -0.18 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1wun n PRO 96 Cb 0.49 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1wun n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wun n GLY 97 N 1.54 1.61 0.00 -1.23 0.00 -1.26 -5.03 105.19 100.82 1wun n GLY 97 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1wun n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wun n THR 98 N -2.00 0.00 -0.01 2.61 -2.24 -0.43 -5.11 114.28 107.10 1wun n THR 98 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wun n THR 98 Cb 0.00 -0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 67.71 1wun n THR 98 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wun n THR 99 N -0.45 0.17 -2.11 4.28 -2.24 -1.26 -4.93 114.28 107.74 1wun n THR 99 Ca 0.00 -0.14 -0.36 0.00 -2.27 0.00 0.00 64.05 61.27 1wun n THR 99 Cb 0.00 -0.41 0.01 0.00 -2.10 0.00 0.00 70.33 67.83 1wun n THR 99 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1wun s ASN 100 N -3.12 5.61 -1.43 3.42 3.04 -1.26 -3.33 114.94 117.86 1wun s ASN 100 Ca -0.02 2.36 -0.07 0.00 0.04 0.00 0.00 52.86 55.18 1wun s ASN 100 Cb 0.02 -2.60 0.04 0.00 -1.54 0.00 0.00 41.25 37.17 1wun s ASN 100 CO 0.17 -1.31 0.80 1.41 -3.04 0.00 0.00 177.10 175.13 1wun n HIS 101 N -1.13 -2.05 -2.49 0.43 8.25 -1.26 -4.57 115.22 112.40 1wun n HIS 101 Ca 0.11 0.86 -0.43 0.00 -0.26 0.00 0.00 57.72 58.00 1wun n HIS 101 Cb 0.49 -4.11 0.00 0.00 1.12 0.00 0.00 29.99 27.49 1wun n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1wun n ASP 102 N -2.94 4.82 -3.81 0.41 2.03 -1.21 -4.70 116.55 111.15 1wun n ASP 102 Ca -0.14 -2.93 -0.12 0.00 0.52 0.00 0.00 54.79 52.11 1wun n ASP 102 Cb 0.61 -1.68 -0.09 0.00 -0.72 0.00 0.00 41.12 39.24 1wun n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1wun s ILE 103 N 3.22 0.07 -0.10 5.18 2.07 -1.26 -4.06 121.20 126.33 1wun s ILE 103 Ca 0.49 -0.60 -0.09 0.00 -1.41 0.00 0.00 60.65 59.04 1wun s ILE 103 Cb 0.05 -0.60 0.03 0.00 0.13 0.00 0.00 42.46 42.06 1wun s ILE 103 CO 0.03 -0.33 0.26 0.00 -1.91 0.00 0.00 174.94 172.99 1wun s ALA 104 N -1.54 -0.65 -0.22 1.50 0.00 -0.21 -3.54 121.76 117.10 1wun s ALA 104 Ca -0.13 0.76 -0.04 0.00 0.00 0.00 0.00 51.96 52.56 1wun s ALA 104 Cb -0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 1wun s ALA 104 CO 0.02 -0.13 -0.03 -1.17 0.00 0.00 0.00 175.76 174.45 1wun s LEU 105 N 0.23 2.94 -0.14 0.00 2.96 -0.24 -0.39 118.68 124.05 1wun s LEU 105 Ca -0.01 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1wun s LEU 105 Cb -0.02 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 1wun s LEU 105 CO -0.00 -0.02 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.18 1wun s LEU 106 N 1.49 3.14 -0.25 -0.68 1.02 0.15 -0.70 118.68 122.84 1wun s LEU 106 Ca 0.06 -0.15 -0.12 0.00 0.02 0.00 0.00 54.13 53.94 1wun s LEU 106 Cb -0.14 -1.74 -0.05 0.00 0.02 0.00 0.00 46.19 44.28 1wun s LEU 106 CO -0.03 0.20 0.22 -0.60 0.02 0.00 0.00 176.35 176.16 1wun s ARG 107 N 0.18 4.04 0.32 1.70 3.52 -0.14 -1.01 118.95 127.55 1wun s ARG 107 Ca -0.03 -0.20 -0.26 0.00 -0.13 0.00 0.00 55.73 55.10 1wun s ARG 107 Cb -0.14 -3.59 -0.10 0.00 -1.56 0.00 0.00 34.95 29.56 1wun s ARG 107 CO 0.03 -0.07 0.95 -0.51 -0.81 0.00 0.00 175.30 174.90 1wun s LEU 108 N 1.43 4.37 0.36 -0.88 1.43 -0.02 -0.74 118.68 124.63 1wun s LEU 108 Ca 0.09 1.87 0.05 0.00 -1.03 0.00 0.00 54.13 55.11 1wun s LEU 108 Cb -0.15 -3.97 0.70 0.00 0.03 0.00 0.00 46.19 42.80 1wun s LEU 108 CO 0.08 -0.07 1.97 -0.74 0.23 0.00 0.00 176.35 177.82 1wun h HIS 109 N 3.25 0.79 -3.79 0.29 -0.00 -1.20 -3.42 115.15 111.06 1wun h HIS 109 Ca -0.47 0.02 -0.25 0.00 -0.00 0.00 0.00 60.37 59.68 1wun h HIS 109 Cb 1.19 -0.26 -0.27 0.00 -0.00 0.00 0.00 27.41 28.07 1wun h HIS 109 CO 0.61 0.44 -0.73 -1.14 -0.00 0.00 0.00 177.93 177.11 1wun s GLN 110 N -5.70 0.12 0.62 5.26 2.00 -1.26 -5.03 119.66 115.67 1wun s GLN 110 Ca -0.10 -0.10 -0.18 0.00 -2.00 0.00 0.00 55.36 52.97 1wun s GLN 110 Cb 0.19 -0.08 -0.02 0.00 0.80 0.00 0.00 33.01 33.89 1wun s GLN 110 CO 0.77 0.02 1.26 -1.25 -0.50 0.00 0.00 175.29 175.59 1wun s PRO 111 N -0.17 2.74 0.49 1.67 0.04 -1.26 -4.93 135.00 133.57 1wun s PRO 111 Ca -0.01 1.96 -0.04 0.00 0.04 0.00 0.00 61.00 62.95 1wun s PRO 111 Cb -0.01 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 1wun s PRO 111 CO -0.00 -1.42 0.78 0.14 0.04 0.00 0.00 177.00 176.53 1wun s VAL 112 N -1.48 4.54 -0.15 -0.36 -7.23 -0.33 -5.01 120.40 110.38 1wun s VAL 112 Ca 0.80 0.02 -0.19 0.00 -1.81 0.00 0.00 61.98 60.80 1wun s VAL 112 Cb -0.34 -3.73 -0.04 0.00 0.56 0.00 0.00 36.38 32.83 1wun s VAL 112 CO 0.37 -0.68 0.52 -0.69 -0.31 0.00 0.00 175.10 174.30 1wun s VAL 113 N -2.74 5.14 -0.09 1.32 1.01 -1.26 -4.86 120.40 118.91 1wun s VAL 113 Ca 0.48 1.00 -0.30 0.00 0.00 0.00 0.00 61.98 63.17 1wun s VAL 113 Cb -0.10 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1wun s VAL 113 CO 0.43 0.25 1.04 -0.76 0.00 0.00 0.00 175.10 176.07 1wun s LEU 114 N 1.08 4.26 0.00 3.92 1.43 -1.26 -4.78 118.68 123.32 1wun s LEU 114 Ca 0.26 1.59 0.01 0.00 -1.03 0.00 0.00 54.13 54.97 1wun s LEU 114 Cb -0.15 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 1wun s LEU 114 CO 0.11 -0.47 0.05 0.35 0.23 0.00 0.00 176.35 176.62 1wun n THR 115 N 4.55 0.00 0.30 5.49 -2.24 -0.91 -4.98 114.28 116.49 1wun n THR 115 Ca 0.09 -0.56 0.17 0.00 -2.27 0.00 0.00 64.05 61.48 1wun n THR 115 Cb 0.48 0.25 0.76 0.00 -2.10 0.00 0.00 70.33 69.72 1wun n THR 115 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1wun h ASP 116 N 0.44 0.00 -0.01 3.42 3.32 -2.00 -3.03 116.42 118.56 1wun h ASP 116 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1wun h ASP 116 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1wun h ASP 116 CO 0.09 0.00 -0.15 1.41 -1.72 0.00 0.00 179.24 178.87 1wun n HIS 117 N -2.94 0.00 -3.66 4.55 8.25 -1.26 -4.87 115.22 115.29 1wun n HIS 117 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.17 1wun n HIS 117 Cb 0.24 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.20 1wun n HIS 117 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1wun s VAL 118 N -1.32 0.55 0.02 1.59 1.01 -1.14 -4.23 120.40 116.88 1wun s VAL 118 Ca 0.11 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 60.91 1wun s VAL 118 Cb 0.10 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 1wun s VAL 118 CO 0.24 -0.70 -0.08 -0.69 0.00 0.00 0.00 175.10 173.87 1wun s VAL 119 N 1.75 0.59 0.37 2.92 1.01 -0.87 -2.15 120.40 124.02 1wun s VAL 119 Ca 0.10 -0.69 -0.21 0.00 0.00 0.00 0.00 61.98 61.18 1wun s VAL 119 Cb -0.17 -0.57 -0.10 0.00 0.00 0.00 0.00 36.38 35.54 1wun s VAL 119 CO -0.28 -0.09 0.88 -2.16 0.00 0.00 0.00 175.10 173.44 1wun s PRO 120 N -0.86 4.26 0.25 2.72 0.04 -1.26 -2.49 135.00 137.65 1wun s PRO 120 Ca -0.03 1.04 -0.15 0.00 0.04 0.00 0.00 61.00 61.90 1wun s PRO 120 Cb -0.06 -2.43 -0.08 0.00 0.04 0.00 0.00 34.50 31.97 1wun s PRO 120 CO 0.00 0.11 0.67 -1.17 0.04 0.00 0.00 177.00 176.65 1wun s LEU 121 N -2.79 4.21 0.06 -3.56 2.96 0.65 -4.93 118.68 115.28 1wun s LEU 121 Ca 0.56 1.22 -0.30 0.00 -0.22 0.00 0.00 54.13 55.39 1wun s LEU 121 Cb -0.12 -3.73 -0.05 0.00 0.50 0.00 0.00 46.19 42.79 1wun s LEU 121 CO 0.17 -0.06 1.00 0.00 -1.32 0.00 0.00 176.35 176.14 1wun s LEU 123 N 0.54 4.32 0.81 0.00 2.96 -1.26 -0.62 118.68 125.43 1wun s LEU 123 Ca 0.50 0.01 -0.11 0.00 -0.22 0.00 0.00 54.13 54.31 1wun s LEU 123 Cb -0.23 -2.75 0.09 0.00 0.50 0.00 0.00 46.19 43.79 1wun s LEU 123 CO 0.29 -0.63 1.17 -2.16 -1.32 0.00 0.00 176.35 173.70 1wun s PRO 124 N 2.71 1.89 0.60 0.98 0.04 -1.26 -5.00 135.00 134.96 1wun s PRO 124 Ca 0.23 0.01 -0.13 0.00 0.04 0.00 0.00 61.00 61.15 1wun s PRO 124 Cb -0.14 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1wun s PRO 124 CO 0.16 -1.61 1.03 -1.21 0.04 0.00 0.00 177.00 175.40 1wun s GLU 125 N -5.55 3.55 0.10 4.56 2.02 -1.26 -4.93 118.70 117.19 1wun s GLU 125 Ca 0.63 0.91 -0.30 0.00 0.02 0.00 0.00 54.97 56.23 1wun s GLU 125 Cb -0.10 -2.07 -0.12 0.00 0.10 0.00 0.00 34.13 31.93 1wun s GLU 125 CO 0.49 -0.61 1.61 -0.09 0.02 0.00 0.00 175.26 176.68 1wun h ARG 126 N 0.09 -0.65 -0.32 1.61 2.43 -1.97 -2.48 114.38 113.09 1wun h ARG 126 Ca -0.45 0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 58.70 1wun h ARG 126 Cb 1.20 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.88 1wun h ARG 126 CO 0.60 -0.44 -0.05 1.79 -1.51 0.00 0.00 179.97 180.37 1wun h THR 127 N -0.68 1.21 -0.06 0.20 1.35 -1.94 -1.33 112.91 111.66 1wun h THR 127 Ca -0.01 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1wun h THR 127 Cb 0.64 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1wun h THR 127 CO -0.11 0.29 0.04 0.15 -0.25 0.00 0.00 175.52 175.65 1wun h PHE 128 N 0.48 0.08 -0.34 4.73 3.57 -1.94 0.74 116.94 124.27 1wun h PHE 128 Ca 0.10 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1wun h PHE 128 Cb 0.39 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1wun h PHE 128 CO 0.01 0.06 0.20 1.03 -2.23 0.00 0.00 178.31 177.38 1wun h SER 129 N 0.08 0.42 -0.28 0.41 0.87 -1.09 0.28 113.55 114.25 1wun h SER 129 Ca 0.02 -0.06 -0.17 0.00 -1.23 0.00 0.00 61.79 60.35 1wun h SER 129 Cb -0.00 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1wun h SER 129 CO -0.00 0.36 -0.49 -0.33 -0.53 0.00 0.00 176.83 175.83 1wun h GLU 129 N 0.44 0.83 0.05 2.24 5.08 -1.16 0.19 114.58 122.25 1wun h GLU 129 Ca 0.12 -0.52 -0.27 0.00 -1.00 0.00 0.00 59.36 57.70 1wun h GLU 129 Cb 0.02 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1wun h GLU 129 CO -0.02 1.15 -1.38 -0.09 -1.00 0.00 0.00 179.01 177.66 1wun h ARG 129 N 0.59 0.10 0.00 2.33 2.43 -0.82 -3.39 114.38 115.62 1wun h ARG 129 Ca 0.02 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1wun h ARG 129 Cb 1.10 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1wun h ARG 129 CO 0.11 0.92 -0.24 2.41 -1.51 0.00 0.00 179.97 181.66 1wun n THR 129 N -3.32 1.13 -0.31 0.20 -1.04 0.96 -4.76 114.28 107.15 1wun n THR 129 Ca -0.11 0.33 0.03 0.00 -2.04 0.00 0.00 64.05 62.26 1wun n THR 129 Cb 1.01 -1.66 0.22 0.00 -1.82 0.00 0.00 70.33 68.08 1wun n THR 129 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1wun h LEU 129 N -0.11 0.95 -1.35 -4.42 3.38 -1.38 -1.92 115.31 110.46 1wun h LEU 129 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1wun h LEU 129 Cb 0.23 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1wun h LEU 129 CO -0.01 0.63 0.00 0.00 0.09 0.00 0.00 178.44 179.16 1wun n ALA 129 N -2.39 1.16 -0.00 1.53 0.00 0.67 -1.46 120.51 120.01 1wun n ALA 129 Ca 0.13 0.19 0.07 0.00 0.00 0.00 0.00 53.44 53.83 1wun n ALA 129 Cb 0.15 -1.34 0.17 0.00 0.00 0.00 0.00 19.45 18.43 1wun n ALA 129 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wun n PHE 129 N -2.28 0.45 -2.69 0.00 3.72 -0.72 -4.87 117.46 111.06 1wun n PHE 129 Ca -0.01 -0.36 -0.43 0.00 -0.05 0.00 0.00 57.45 56.60 1wun n PHE 129 Cb 0.07 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.58 1wun n PHE 129 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1wun s VAL 129 N -1.07 4.71 0.07 -4.37 1.01 -0.53 -4.95 120.40 115.27 1wun s VAL 129 Ca 0.27 1.98 -0.20 0.00 0.00 0.00 0.00 61.98 64.03 1wun s VAL 129 Cb 0.15 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 1wun s VAL 129 CO 0.21 -0.15 1.32 -0.09 0.00 0.00 0.00 175.10 176.39 1wun h ARG 134 N 7.44 -0.35 -5.99 2.72 9.65 -1.89 -3.44 114.38 122.52 1wun h ARG 134 Ca -0.21 0.02 -0.61 0.00 -1.10 0.00 0.00 59.98 58.09 1wun h ARG 134 Cb 1.07 0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.69 1wun h ARG 134 CO 0.96 -0.23 -0.43 -0.06 2.80 0.00 0.00 179.97 183.00 1wun s PHE 135 N -4.57 3.51 0.08 2.20 0.08 -1.26 -1.48 117.98 116.53 1wun s PHE 135 Ca -0.09 0.37 -0.09 0.00 0.12 0.00 0.00 56.93 57.24 1wun s PHE 135 Cb 0.04 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.64 1wun s PHE 135 CO 0.35 0.54 0.20 -1.12 -0.10 0.00 0.00 175.22 175.10 1wun s SER 136 N -2.41 0.08 -0.12 1.36 0.01 -0.62 -4.58 113.70 107.42 1wun s SER 136 Ca 0.36 -0.55 -0.09 0.00 1.31 0.00 0.00 55.95 56.97 1wun s SER 136 Cb -0.13 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.39 1wun s SER 136 CO 0.26 -0.69 0.20 -0.76 0.41 0.00 0.00 173.24 172.66 1wun s LEU 137 N -2.65 4.36 0.03 2.44 1.43 0.78 -0.92 118.68 124.15 1wun s LEU 137 Ca 0.02 0.52 0.08 0.00 -1.03 0.00 0.00 54.13 53.72 1wun s LEU 137 Cb 0.03 -2.19 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1wun s LEU 137 CO -0.09 0.33 -0.22 0.68 0.23 0.00 0.00 176.35 177.28 1wun s VAL 138 N -0.68 1.77 0.21 -1.59 -7.23 -0.22 0.43 120.40 113.09 1wun s VAL 138 Ca 0.16 -1.17 -0.12 0.00 -1.81 0.00 0.00 61.98 59.04 1wun s VAL 138 Cb -0.13 -1.52 -0.00 0.00 0.56 0.00 0.00 36.38 35.29 1wun s VAL 138 CO 0.05 0.30 0.40 -0.94 -0.31 0.00 0.00 175.10 174.60 1wun s SER 139 N -1.03 -0.07 0.00 4.85 1.04 -1.22 -0.56 113.70 116.72 1wun s SER 139 Ca 0.08 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1wun s SER 139 Cb -0.09 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1wun s SER 139 CO 0.01 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1wun n GLY 140 N -0.31 0.11 1.77 7.32 0.00 -0.74 -4.48 105.19 108.87 1wun n GLY 140 Ca -0.05 -1.27 -0.09 0.00 0.00 0.00 0.00 46.02 44.60 1wun n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wun n TRP 141 N -1.03 2.19 -0.75 1.61 8.01 -1.26 -1.83 117.44 124.37 1wun n TRP 141 Ca 0.00 -1.45 -0.12 0.00 -1.31 0.00 0.00 57.50 54.62 1wun n TRP 141 Cb 0.00 -0.69 0.10 0.00 -2.01 0.00 0.00 31.31 28.72 1wun n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1wun n GLY 142 N -0.70 -2.54 3.77 6.99 0.00 -1.26 -2.25 105.19 109.21 1wun n GLY 142 Ca 0.43 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.58 1wun n GLY 142 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wun s GLN 143 N -4.04 3.88 0.30 1.61 1.11 -1.26 -2.23 119.66 119.03 1wun s GLN 143 Ca 0.30 2.34 0.21 0.00 0.01 0.00 0.00 55.36 58.22 1wun s GLN 143 Cb -0.03 -2.76 0.14 0.00 -1.01 0.00 0.00 33.01 29.35 1wun s GLN 143 CO 0.23 -0.63 1.33 -0.07 0.01 0.00 0.00 175.29 176.16 1wun h LEU 144 N 2.60 0.00 -7.96 2.90 3.38 -1.62 -0.58 115.31 114.04 1wun h LEU 144 Ca -0.50 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.31 1wun h LEU 144 Cb 1.25 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.80 1wun h LEU 144 CO 0.62 0.15 -0.64 -0.76 0.09 0.00 0.00 178.44 177.90 1wun s LEU 145 N -5.96 2.10 -0.02 1.67 1.43 -1.26 -4.19 118.68 112.44 1wun s LEU 145 Ca 0.03 -0.50 -0.33 0.00 -1.03 0.00 0.00 54.13 52.29 1wun s LEU 145 Cb 0.07 0.26 -0.12 0.00 0.03 0.00 0.00 46.19 46.44 1wun s LEU 145 CO 0.73 -0.37 1.85 -0.67 0.23 0.00 0.00 176.35 178.13 1wun n ASP 146 N 1.33 3.53 0.00 2.29 2.03 -1.26 -0.51 116.55 123.96 1wun n ASP 146 Ca -0.22 0.98 0.00 0.00 0.52 0.00 0.00 54.79 56.07 1wun n ASP 146 Cb 0.56 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 1wun n ASP 146 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wun n ARG 147 N 6.24 -0.47 0.00 -0.67 1.74 -1.26 -4.99 116.66 117.25 1wun n ARG 147 Ca 0.21 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1wun n ARG 147 Cb 0.31 -3.60 0.00 0.00 -1.02 0.00 0.00 32.46 28.15 1wun n ARG 147 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wun n GLY 149 N -1.64 0.55 3.91 -0.13 0.00 0.34 -5.08 105.19 103.14 1wun n GLY 149 Ca 0.00 -1.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.04 1wun n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wun s ALA 150 N -3.45 3.55 0.71 4.61 0.00 -1.26 -4.87 121.76 121.05 1wun s ALA 150 Ca 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 1wun s ALA 150 Cb 0.00 -2.37 0.03 0.00 0.00 0.00 0.00 23.12 20.78 1wun s ALA 150 CO 0.00 -0.07 1.07 0.95 0.00 0.00 0.00 175.76 177.71 1wun s THR 151 N -2.41 3.03 0.30 0.00 -4.23 -1.26 -2.36 115.64 108.71 1wun s THR 151 Ca 0.44 0.19 -0.11 0.00 -1.18 0.00 0.00 61.69 61.03 1wun s THR 151 Cb -0.10 -3.31 -0.08 0.00 1.34 0.00 0.00 72.50 70.36 1wun s THR 151 CO 0.37 -0.38 0.66 0.00 -0.54 0.00 0.00 174.62 174.73 1wun s ALA 152 N -3.33 3.44 -0.06 3.99 0.00 -0.94 -4.85 121.76 120.01 1wun s ALA 152 Ca 0.58 -0.17 0.10 0.00 0.00 0.00 0.00 51.96 52.48 1wun s ALA 152 Cb -0.11 -2.60 -0.24 0.00 0.00 0.00 0.00 23.12 20.18 1wun s ALA 152 CO 0.49 0.32 0.60 1.28 0.00 0.00 0.00 175.76 178.45 1wun n LEU 153 N -0.51 1.10 -4.51 0.00 4.77 -1.26 -4.83 117.00 111.76 1wun n LEU 153 Ca 0.02 0.37 -0.33 0.00 -0.03 0.00 0.00 56.01 56.04 1wun n LEU 153 Cb 0.53 -0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.49 1wun n LEU 153 CO 0.44 0.46 -0.42 -1.61 -1.33 0.00 0.00 177.39 174.94 1wun s GLU 154 N -2.59 2.79 -0.04 3.23 2.02 -1.26 0.10 118.70 122.95 1wun s GLU 154 Ca -0.07 -0.62 -0.35 0.00 0.02 0.00 0.00 54.97 53.94 1wun s GLU 154 Cb 0.08 -2.53 -0.13 0.00 0.10 0.00 0.00 34.13 31.64 1wun s GLU 154 CO 0.82 0.56 1.74 -0.11 0.02 0.00 0.00 175.26 178.29 1wun n LEU 155 N 2.50 3.05 -4.86 1.80 7.94 -0.43 -4.85 117.00 122.16 1wun n LEU 155 Ca -0.18 1.03 -0.27 0.00 -1.11 0.00 0.00 56.01 55.48 1wun n LEU 155 Cb 0.53 -1.34 -0.05 0.00 0.53 0.00 0.00 43.42 43.09 1wun n LEU 155 CO 0.27 -0.25 -0.18 -0.04 -1.11 0.00 0.00 177.39 176.08 1wun s MET 156 N 2.90 3.13 0.03 1.96 -1.94 -0.76 -0.14 119.30 124.48 1wun s MET 156 Ca 0.89 -0.72 0.02 0.00 -1.71 0.00 0.00 55.69 54.17 1wun s MET 156 Cb -0.77 -2.80 -0.02 0.00 2.01 0.00 0.00 34.83 33.25 1wun s MET 156 CO 0.50 0.52 -0.07 0.54 -0.01 0.00 0.00 175.02 176.50 1wun s VAL 157 N -1.68 0.46 -0.06 -6.03 0.11 0.17 -1.78 120.40 111.59 1wun s VAL 157 Ca 0.32 -0.95 -0.04 0.00 -2.93 0.00 0.00 61.98 58.39 1wun s VAL 157 Cb -0.11 -0.52 0.03 0.00 -1.53 0.00 0.00 36.38 34.24 1wun s VAL 157 CO 0.25 -0.34 0.14 -0.22 -3.33 0.00 0.00 175.10 171.61 1wun s LEU 158 N -1.38 1.08 -0.26 2.54 2.96 0.28 -1.70 118.68 122.19 1wun s LEU 158 Ca -0.09 0.29 -0.18 0.00 -0.22 0.00 0.00 54.13 53.93 1wun s LEU 158 Cb -0.09 0.42 -0.03 0.00 0.50 0.00 0.00 46.19 47.00 1wun s LEU 158 CO 0.00 -0.10 0.53 0.21 -1.32 0.00 0.00 176.35 175.67 1wun s ASN 159 N 0.65 6.45 0.06 3.68 3.04 -1.26 -1.05 114.94 126.51 1wun s ASN 159 Ca -0.05 0.55 0.07 0.00 0.04 0.00 0.00 52.86 53.47 1wun s ASN 159 Cb -0.06 -2.29 -0.03 0.00 -1.54 0.00 0.00 41.25 37.33 1wun s ASN 159 CO -0.03 -0.29 -0.20 0.68 -3.04 0.00 0.00 177.10 174.21 1wun s VAL 160 N 2.31 1.64 0.11 -5.21 -7.23 -0.10 -4.93 120.40 106.99 1wun s VAL 160 Ca 0.22 -1.31 -0.20 0.00 -1.81 0.00 0.00 61.98 58.88 1wun s VAL 160 Cb -0.16 -1.45 -0.07 0.00 0.56 0.00 0.00 36.38 35.26 1wun s VAL 160 CO 0.09 0.09 0.61 -2.16 -0.31 0.00 0.00 175.10 173.42 1wun s PRO 161 N -1.44 4.23 0.15 4.82 0.04 -1.26 -1.59 135.00 139.95 1wun s PRO 161 Ca 0.07 0.78 -0.07 0.00 0.04 0.00 0.00 61.00 61.82 1wun s PRO 161 Cb -0.09 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.23 1wun s PRO 161 CO 0.03 0.58 0.42 0.50 0.04 0.00 0.00 177.00 178.57 1wun s ARG 162 N -1.32 3.68 0.04 4.56 3.52 -0.55 -0.75 118.95 128.13 1wun s ARG 162 Ca 0.33 0.03 0.06 0.00 -0.13 0.00 0.00 55.73 56.01 1wun s ARG 162 Cb -0.19 -2.83 -0.02 0.00 -1.56 0.00 0.00 34.95 30.35 1wun s ARG 162 CO 0.20 0.45 -0.16 -0.51 -0.81 0.00 0.00 175.30 174.47 1wun s LEU 163 N -2.58 2.16 0.40 -0.88 1.02 -0.53 -4.97 118.68 113.30 1wun s LEU 163 Ca 0.41 -0.46 -0.24 0.00 0.02 0.00 0.00 54.13 53.86 1wun s LEU 163 Cb -0.12 -0.73 -0.09 0.00 0.02 0.00 0.00 46.19 45.27 1wun s LEU 163 CO 0.23 0.09 1.10 -0.04 0.02 0.00 0.00 176.35 177.75 1wun s MET 164 N -1.07 4.09 0.36 1.70 -1.94 -1.26 -3.98 119.30 117.19 1wun s MET 164 Ca 0.04 1.66 0.12 0.00 -1.71 0.00 0.00 55.69 55.80 1wun s MET 164 Cb -0.08 -2.59 0.93 0.00 2.01 0.00 0.00 34.83 35.11 1wun s MET 164 CO 0.01 -0.24 1.79 1.15 -0.01 0.00 0.00 175.02 177.72 1wun h THR 165 N 2.22 0.64 -0.66 2.05 2.02 -1.94 -0.99 112.91 116.24 1wun h THR 165 Ca -0.48 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 66.53 1wun h THR 165 Cb 1.23 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 1wun h THR 165 CO 0.62 0.10 0.41 -0.61 0.37 0.00 0.00 175.52 176.41 1wun h GLN 166 N 0.56 0.77 -0.16 6.66 4.15 -2.00 -1.06 115.11 124.04 1wun h GLN 166 Ca 0.56 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.81 1wun h GLN 166 Cb 1.15 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 1wun h GLN 166 CO -0.31 0.51 -0.45 -0.44 -1.93 0.00 0.00 178.83 176.21 1wun h ASP 167 N 0.79 0.41 0.23 -0.69 3.32 -1.58 -3.15 116.42 115.75 1wun h ASP 167 Ca 0.27 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1wun h ASP 167 Cb 0.04 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1wun h ASP 167 CO -0.11 0.81 -0.11 0.00 -1.72 0.00 0.00 179.24 178.10 1wun n LEU 169 N -5.19 0.00 0.00 0.00 4.77 -0.49 -1.68 117.00 114.41 1wun n LEU 169 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1wun n LEU 169 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1wun n LEU 169 CO 0.34 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.40 1wun n GLN 170 N 0.47 0.00 -4.24 3.23 6.02 0.26 -4.78 117.38 118.33 1wun n GLN 170 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 1wun n GLN 170 Cb 0.00 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.17 1wun n GLN 170 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1wun s SER 170 N 0.00 4.38 -0.20 1.08 0.01 -0.68 -4.80 113.70 113.50 1wun s SER 170 Ca 0.00 -0.45 -0.29 0.00 1.31 0.00 0.00 55.95 56.52 1wun s SER 170 Cb 0.00 -0.81 -0.02 0.00 0.21 0.00 0.00 66.02 65.40 1wun s SER 170 CO 0.00 0.15 1.46 -0.13 0.41 0.00 0.00 173.24 175.13 1wun s ARG 170 N -2.47 4.00 0.11 12.44 1.81 -0.52 -4.95 118.95 129.37 1wun s ARG 170 Ca 0.23 1.66 -0.31 0.00 -1.72 0.00 0.00 55.73 55.59 1wun s ARG 170 Cb -0.10 -3.92 -0.09 0.00 -0.45 0.00 0.00 34.95 30.38 1wun s ARG 170 CO 0.15 -1.03 1.66 0.15 -0.68 0.00 0.00 175.30 175.55 1wun s LYS 170 N 4.15 4.19 0.30 3.54 -0.14 -1.26 -4.99 119.74 125.53 1wun s LYS 170 Ca 0.64 2.40 0.09 0.00 -1.36 0.00 0.00 55.97 57.74 1wun s LYS 170 Cb -0.24 -3.44 -0.05 0.00 -1.68 0.00 0.00 37.83 32.42 1wun s LYS 170 CO 0.24 -0.72 0.03 0.08 -0.76 0.00 0.00 175.35 174.23 1wun s VAL 170 N 2.15 3.15 0.00 3.17 1.01 -1.26 -5.10 120.40 123.52 1wun s VAL 170 Ca 0.74 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1wun s VAL 170 Cb -0.42 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1wun s VAL 170 CO 0.33 -0.29 0.56 0.61 0.00 0.00 0.00 175.10 176.31 1wun n GLY 170 N -0.97 -3.17 2.15 4.51 0.00 -1.26 -4.18 105.19 102.27 1wun n GLY 170 Ca -0.05 0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 1wun n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wun n ASP 170 N -0.91 6.13 -4.77 1.61 8.00 -1.26 -5.04 116.55 120.31 1wun n ASP 170 Ca 0.00 -3.77 -0.36 0.00 0.71 0.00 0.00 54.79 51.38 1wun n ASP 170 Cb 0.00 -0.62 0.01 0.00 -0.02 0.00 0.00 41.12 40.50 1wun n ASP 170 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1wun s SER 170 N -2.84 5.59 0.73 -2.24 1.04 -1.26 -4.98 113.70 109.75 1wun s SER 170 Ca 0.57 2.26 -0.14 0.00 0.48 0.00 0.00 55.95 59.12 1wun s SER 170 Cb 0.45 -2.59 0.04 0.00 0.10 0.00 0.00 66.02 64.02 1wun s SER 170 CO 0.02 -1.31 1.17 -2.84 0.98 0.00 0.00 173.24 171.26 1wun s PRO 170 N -3.24 2.20 0.47 4.02 0.02 -1.26 -4.98 135.00 132.23 1wun s PRO 170 Ca 0.73 1.63 -0.20 0.00 0.02 0.00 0.00 61.00 63.18 1wun s PRO 170 Cb -0.27 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.31 1wun s PRO 170 CO 0.30 -1.76 0.99 -0.80 -0.33 0.00 0.00 177.00 175.40 1wun s ASN 175 N -2.28 6.65 -0.51 2.53 0.01 -1.26 -4.99 114.94 115.08 1wun s ASN 175 Ca 0.71 1.74 -0.18 0.00 -0.71 0.00 0.00 52.86 54.42 1wun s ASN 175 Cb -0.26 -2.54 0.07 0.00 0.41 0.00 0.00 41.25 38.93 1wun s ASN 175 CO 0.46 -0.57 0.59 -0.63 -1.51 0.00 0.00 177.10 175.45 1wun s ILE 176 N -2.22 4.93 0.50 0.60 1.01 -1.26 -4.96 121.20 119.80 1wun s ILE 176 Ca 0.63 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 60.57 1wun s ILE 176 Cb -0.12 -4.29 0.11 0.00 0.01 0.00 0.00 42.46 38.17 1wun s ILE 176 CO 0.20 -0.81 0.68 0.35 0.00 0.00 0.00 174.94 175.37 1wun n THR 177 N 5.53 0.00 1.16 2.92 -2.24 -1.26 -4.95 114.28 115.44 1wun n THR 177 Ca -0.08 -0.80 0.12 0.00 -2.27 0.00 0.00 64.05 61.02 1wun n THR 177 Cb 0.45 -1.34 0.62 0.00 -2.10 0.00 0.00 70.33 67.96 1wun n THR 177 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1wun n GLU 178 N -2.35 0.34 -0.64 -0.78 0.00 -1.26 -2.20 120.64 113.75 1wun n GLU 178 Ca 0.10 0.05 0.09 0.00 0.00 0.00 0.00 57.16 57.40 1wun n GLU 178 Cb 0.35 -1.50 0.36 0.00 0.00 0.00 0.00 31.44 30.65 1wun n GLU 178 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1wun n TYR 179 N -1.29 1.54 -4.21 -1.84 4.01 -1.26 -4.88 117.16 109.22 1wun n TYR 179 Ca 0.12 -0.60 -0.13 0.00 -0.16 0.00 0.00 57.90 57.12 1wun n TYR 179 Cb 0.20 -0.27 -0.10 0.00 -0.31 0.00 0.00 39.34 38.87 1wun n TYR 179 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1wun s MET 180 N -1.92 1.30 -0.16 -0.72 -1.94 -0.94 -0.88 119.30 114.05 1wun s MET 180 Ca 0.51 -1.70 -0.29 0.00 -1.71 0.00 0.00 55.69 52.51 1wun s MET 180 Cb 0.33 0.28 0.10 0.00 2.01 0.00 0.00 34.83 37.56 1wun s MET 180 CO 0.24 -0.44 0.87 -0.59 -0.01 0.00 0.00 175.02 175.09 1wun s PHE 181 N -4.03 -0.53 0.20 -0.03 -0.12 -0.85 -4.68 117.98 107.95 1wun s PHE 181 Ca 0.39 1.03 -0.03 0.00 -0.05 0.00 0.00 56.93 58.28 1wun s PHE 181 Cb 0.06 0.40 -0.05 0.00 -0.63 0.00 0.00 43.02 42.80 1wun s PHE 181 CO 0.15 -0.41 0.43 0.00 -0.05 0.00 0.00 175.22 175.33 1wun s ALA 183 N -1.86 -1.61 0.00 0.00 0.00 -0.75 -1.45 121.76 116.10 1wun s ALA 183 Ca 0.41 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.88 1wun s ALA 183 Cb -0.11 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1wun s ALA 183 CO 0.28 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1wun n GLY 184 N 1.91 0.43 3.07 0.00 0.00 0.07 -2.21 105.19 108.46 1wun n GLY 184 Ca -0.16 -1.84 -0.14 0.00 0.00 0.00 0.00 46.02 43.88 1wun n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wun s TYR 184 N -1.69 0.73 -1.71 1.61 1.51 -1.24 -4.38 117.35 112.18 1wun s TYR 184 Ca 0.00 -0.46 0.20 0.00 -1.01 0.00 0.00 57.07 55.80 1wun s TYR 184 Cb 0.00 -0.43 0.56 0.00 -0.11 0.00 0.00 41.96 41.98 1wun s TYR 184 CO 0.00 -0.06 1.47 -1.13 -1.11 0.00 0.00 175.55 174.72 1wun n SER 185 N 1.57 3.70 -0.98 2.29 3.41 -1.26 -4.34 113.62 118.01 1wun n SER 185 Ca -0.22 -2.00 0.10 0.00 -0.26 0.00 0.00 58.87 56.49 1wun n SER 185 Cb 0.55 -0.42 0.26 0.00 -0.26 0.00 0.00 64.21 64.34 1wun n SER 185 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1wun n ASP 186 N 1.36 2.88 -0.57 4.04 5.68 -1.26 0.71 116.55 129.38 1wun n ASP 186 Ca 0.21 -1.95 -0.07 0.00 -0.50 0.00 0.00 54.79 52.49 1wun n ASP 186 Cb 0.57 -0.30 -0.02 0.00 -1.14 0.00 0.00 41.12 40.23 1wun n ASP 186 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wun n GLY 187 N 1.37 0.64 0.07 6.12 0.00 -1.26 -4.76 105.19 107.38 1wun n GLY 187 Ca 0.18 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 1wun n GLY 187 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wun n SER 188 N 0.89 2.19 -3.82 1.61 3.41 -1.26 -4.79 113.62 111.84 1wun n SER 188 Ca -0.07 -0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.39 1wun n SER 188 Cb 0.32 0.48 -0.14 0.00 -0.26 0.00 0.00 64.21 64.61 1wun n SER 188 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1wun s LYS 188 N -2.31 0.05 -0.11 4.33 1.02 -1.26 -3.94 119.74 117.54 1wun s LYS 188 Ca -0.11 0.14 -0.33 0.00 0.02 0.00 0.00 55.97 55.69 1wun s LYS 188 Cb 0.04 -0.04 0.15 0.00 -0.52 0.00 0.00 37.83 37.46 1wun s LYS 188 CO 0.46 -0.06 1.44 0.34 -0.92 0.00 0.00 175.35 176.61 1wun s ASP 189 N 0.36 -0.00 0.68 2.83 2.15 -0.88 -3.62 116.67 118.19 1wun s ASP 189 Ca -0.03 -0.01 -0.00 0.00 0.43 0.00 0.00 52.55 52.94 1wun s ASP 189 Cb -0.04 0.01 0.10 0.00 -0.30 0.00 0.00 42.92 42.69 1wun s ASP 189 CO -0.01 -0.02 0.94 -0.94 -0.17 0.00 0.00 175.17 174.97 1wun s SER 190 N -2.94 4.59 0.31 -0.34 1.04 -1.26 -0.73 113.70 114.38 1wun s SER 190 Ca 0.15 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.33 1wun s SER 190 Cb 0.07 -0.26 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 1wun s SER 190 CO -0.07 -1.68 0.35 0.00 0.98 0.00 0.00 173.24 172.83 1wun h LYS 192 N 2.21 -0.07 0.00 0.00 1.57 -1.92 0.22 116.57 118.59 1wun h LYS 192 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1wun h LYS 192 Cb 1.24 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1wun h LYS 192 CO 0.40 -0.04 0.00 0.41 -0.57 0.00 0.00 179.45 179.65 1wun n GLY 193 N -1.46 -0.92 0.01 3.86 0.00 -1.26 -1.64 105.19 103.78 1wun n GLY 193 Ca 0.08 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1wun n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wun n ASP 194 N -1.83 0.37 -4.45 1.61 8.00 0.79 -4.02 116.55 117.01 1wun n ASP 194 Ca 0.01 0.05 -0.50 0.00 0.71 0.00 0.00 54.79 55.06 1wun n ASP 194 Cb 0.12 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.15 1wun n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1wun n SER 195 N -1.58 -0.55 0.00 -2.24 7.64 -0.65 -1.03 113.62 115.21 1wun n SER 195 Ca 0.06 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1wun n SER 195 Cb 0.35 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 1wun n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wun n GLY 196 N 1.83 3.18 3.70 0.23 0.00 -0.68 -0.28 105.19 113.17 1wun n GLY 196 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1wun n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wun s GLY 197 N -1.94 1.65 0.46 -0.02 0.00 -0.19 -3.13 107.32 104.15 1wun s GLY 197 Ca 0.00 0.21 -0.18 0.00 0.00 0.00 0.00 44.72 44.75 1wun s GLY 197 CO 0.00 0.66 0.95 2.56 0.00 0.00 0.00 173.10 177.27 1wun s PRO 198 N -4.80 4.08 -0.40 2.90 0.04 -1.26 -1.72 135.00 133.84 1wun s PRO 198 Ca 0.64 1.00 0.04 0.00 0.04 0.00 0.00 61.00 62.72 1wun s PRO 198 Cb -0.20 -2.18 0.11 0.00 0.04 0.00 0.00 34.50 32.27 1wun s PRO 198 CO 0.58 -0.12 0.13 -1.58 0.04 0.00 0.00 177.00 176.04 1wun s HIS 199 N -2.37 3.42 -0.18 0.56 2.46 -0.51 -3.39 115.29 115.29 1wun s HIS 199 Ca 0.60 -2.98 -0.10 0.00 0.47 0.00 0.00 55.06 53.05 1wun s HIS 199 Cb -0.09 -2.80 -0.05 0.00 -0.13 0.00 0.00 32.58 29.51 1wun s HIS 199 CO 0.22 -0.87 0.15 0.00 -2.47 0.00 0.00 174.74 171.76 1wun s ALA 200 N 0.54 3.72 -0.18 1.58 0.00 0.17 -2.16 121.76 125.43 1wun s ALA 200 Ca 0.13 -0.66 -0.04 0.00 0.00 0.00 0.00 51.96 51.39 1wun s ALA 200 Cb -0.21 -2.15 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 1wun s ALA 200 CO -0.06 0.26 -0.02 0.99 0.00 0.00 0.00 175.76 176.93 1wun s THR 201 N 0.05 3.89 -0.16 0.00 2.01 -0.18 -0.16 115.64 121.09 1wun s THR 201 Ca 0.10 -0.35 -0.20 0.00 0.31 0.00 0.00 61.69 61.56 1wun s THR 201 Cb -0.11 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 1wun s THR 201 CO -0.00 0.46 0.56 -2.28 -0.69 0.00 0.00 174.62 172.67 1wun s HIS 202 N 0.69 3.44 -0.17 4.92 2.46 -1.26 -0.65 115.29 124.72 1wun s HIS 202 Ca -0.01 0.91 -0.04 0.00 0.47 0.00 0.00 55.06 56.39 1wun s HIS 202 Cb -0.14 -2.69 0.08 0.00 -0.13 0.00 0.00 32.58 29.70 1wun s HIS 202 CO 0.02 -0.02 0.19 -0.47 -2.47 0.00 0.00 174.74 171.99 1wun s TYR 203 N 1.30 -0.18 -1.23 3.88 5.04 0.27 -4.96 117.35 121.47 1wun s TYR 203 Ca 0.28 0.25 -0.21 0.00 -2.44 0.00 0.00 57.07 54.95 1wun s TYR 203 Cb -0.16 -0.38 0.01 0.00 0.35 0.00 0.00 41.96 41.78 1wun s TYR 203 CO 0.11 -0.50 0.65 0.54 -1.34 0.00 0.00 175.55 175.01 1wun n ARG 204 N 5.32 -1.22 -0.61 4.97 1.74 -1.26 -2.38 116.66 123.22 1wun n ARG 204 Ca -0.06 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 1wun n ARG 204 Cb 0.50 -3.64 0.00 0.00 -1.02 0.00 0.00 32.46 28.29 1wun n ARG 204 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wun n GLY 205 N -1.92 1.13 2.95 -0.13 0.00 -1.26 -5.03 105.19 100.93 1wun n GLY 205 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 1wun n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wun s THR 206 N -3.35 0.27 -0.10 2.61 2.01 -1.00 -5.15 115.64 110.93 1wun s THR 206 Ca 0.00 -0.41 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 1wun s THR 206 Cb 0.00 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.18 1wun s THR 206 CO 0.00 -0.10 0.24 0.26 -0.69 0.00 0.00 174.62 174.33 1wun s TRP 207 N -0.51 3.60 0.14 4.92 0.52 -1.26 -0.57 118.94 125.79 1wun s TRP 207 Ca -0.03 0.66 0.07 0.00 0.02 0.00 0.00 56.10 56.82 1wun s TRP 207 Cb -0.04 -2.12 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 1wun s TRP 207 CO -0.00 0.60 -0.15 0.71 0.02 0.00 0.00 176.95 178.13 1wun s TYR 208 N -0.72 1.57 -0.35 -1.98 1.51 0.18 -2.92 117.35 114.64 1wun s TYR 208 Ca 0.17 -0.53 -0.22 0.00 -1.01 0.00 0.00 57.07 55.48 1wun s TYR 208 Cb -0.13 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.92 1wun s TYR 208 CO 0.06 0.22 0.71 -1.17 -1.11 0.00 0.00 175.55 174.26 1wun s LEU 209 N -2.62 4.17 -0.03 -1.29 2.96 0.21 -1.01 118.68 121.08 1wun s LEU 209 Ca 0.13 0.32 0.06 0.00 -0.22 0.00 0.00 54.13 54.42 1wun s LEU 209 Cb -0.05 -2.91 -0.08 0.00 0.50 0.00 0.00 46.19 43.65 1wun s LEU 209 CO 0.04 -0.63 0.09 0.35 -1.32 0.00 0.00 176.35 174.89 1wun n THR 210 N 5.62 0.14 -3.98 3.68 -2.24 -0.92 -4.58 114.28 112.01 1wun n THR 210 Ca 0.01 -0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 1wun n THR 210 Cb 0.48 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.57 1wun n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wun s GLY 211 N -3.06 0.52 -0.05 3.38 0.00 -0.96 -2.67 107.32 104.47 1wun s GLY 211 Ca -0.02 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 43.86 1wun s GLY 211 CO 0.24 -0.68 -0.12 -0.42 0.00 0.00 0.00 173.10 172.12 1wun s ILE 212 N -4.00 1.09 -0.08 0.90 1.01 -1.09 -1.43 121.20 117.60 1wun s ILE 212 Ca 0.21 -0.50 -0.29 0.00 0.00 0.00 0.00 60.65 60.07 1wun s ILE 212 Cb 0.01 -0.97 -0.07 0.00 0.01 0.00 0.00 42.46 41.43 1wun s ILE 212 CO 0.06 0.33 2.05 -0.69 0.00 0.00 0.00 174.94 176.69 1wun s VAL 213 N 0.34 3.05 0.04 2.92 1.01 -0.70 -1.28 120.40 125.79 1wun s VAL 213 Ca -0.08 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1wun s VAL 213 Cb -0.12 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 1wun s VAL 213 CO 0.02 -0.02 -0.01 -0.24 0.00 0.00 0.00 175.10 174.85 1wun n SER 214 N 9.20 0.64 -2.02 3.32 2.88 -1.05 -1.68 113.62 124.91 1wun n SER 214 Ca 0.24 0.08 -0.06 0.00 -1.33 0.00 0.00 58.87 57.80 1wun n SER 214 Cb 0.43 -0.22 0.01 0.00 -0.75 0.00 0.00 64.21 63.68 1wun n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1wun n TRP 215 N -3.08 -1.55 0.00 0.66 4.27 -0.80 -4.96 117.44 111.97 1wun n TRP 215 Ca -0.01 -1.11 0.00 0.00 -3.89 0.00 0.00 57.50 52.50 1wun n TRP 215 Cb 0.02 0.46 0.00 0.00 -1.36 0.00 0.00 31.31 30.43 1wun n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1wun n GLY 216 N -0.30 0.67 3.52 -1.67 0.00 -1.26 -0.07 105.19 106.07 1wun n GLY 216 Ca -0.03 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 1wun n GLY 216 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wun s GLN 217 N -2.00 3.32 3.47 1.61 0.74 -1.26 -4.88 119.66 120.66 1wun s GLN 217 Ca 0.00 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.12 1wun s GLN 217 Cb 0.00 -4.06 0.00 0.00 1.10 0.00 0.00 33.01 30.05 1wun s GLN 217 CO 0.00 -1.50 0.00 0.41 -0.55 0.00 0.00 175.29 173.65 1wun n GLY 219 N 5.13 1.01 2.88 2.59 0.00 -1.26 -4.32 105.19 111.22 1wun n GLY 219 Ca 0.02 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 1wun n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wun n ALA 221 N 4.54 -2.10 -2.70 0.00 0.00 -1.26 -4.53 120.51 114.46 1wun n ALA 221 Ca -0.17 -0.15 -0.38 0.00 0.00 0.00 0.00 53.44 52.75 1wun n ALA 221 Cb 0.51 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.48 1wun n ALA 221 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wun s THR 221 N -3.62 5.19 0.15 0.00 2.01 -1.26 -4.24 115.64 113.87 1wun s THR 221 Ca 0.07 0.90 -0.34 0.00 0.31 0.00 0.00 61.69 62.63 1wun s THR 221 Cb -0.02 -3.79 -0.15 0.00 0.01 0.00 0.00 72.50 68.55 1wun s THR 221 CO 0.81 0.35 1.38 0.52 -0.69 0.00 0.00 174.62 176.99 1wun n VAL 222 N 3.54 0.34 -0.94 3.82 0.31 -1.26 -1.33 118.33 122.81 1wun n VAL 222 Ca -0.08 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1wun n VAL 222 Cb 0.52 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 1wun n VAL 222 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wun n GLY 223 N 2.60 0.52 3.01 2.92 0.00 0.22 -4.91 105.19 109.55 1wun n GLY 223 Ca 0.16 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1wun n GLY 223 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wun s HIS 224 N -2.00 0.38 0.28 1.61 4.02 -0.44 -1.43 115.29 117.70 1wun s HIS 224 Ca 0.00 -0.62 0.10 0.00 1.02 0.00 0.00 55.06 55.56 1wun s HIS 224 Cb 0.00 -0.26 -0.05 0.00 -1.02 0.00 0.00 32.58 31.25 1wun s HIS 224 CO 0.00 -0.20 -0.08 -0.06 1.02 0.00 0.00 174.74 175.42 1wun s PHE 225 N -1.89 2.52 0.49 1.40 0.08 -1.26 -4.09 117.98 115.22 1wun s PHE 225 Ca -0.11 -0.29 -0.20 0.00 0.12 0.00 0.00 56.93 56.45 1wun s PHE 225 Cb -0.07 -1.15 -0.09 0.00 -0.57 0.00 0.00 43.02 41.14 1wun s PHE 225 CO -0.02 0.64 1.01 0.20 -0.10 0.00 0.00 175.22 176.95 1wun s GLY 226 N -3.62 2.40 -0.08 4.36 0.00 -0.94 -4.56 107.32 104.88 1wun s GLY 226 Ca 0.31 0.50 0.04 0.00 0.00 0.00 0.00 44.72 45.57 1wun s GLY 226 CO 0.18 0.80 -0.20 0.14 0.00 0.00 0.00 173.10 174.02 1wun s VAL 227 N -2.13 2.50 0.08 1.40 1.01 0.89 -1.80 120.40 122.34 1wun s VAL 227 Ca 0.65 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.82 1wun s VAL 227 Cb -0.14 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1wun s VAL 227 CO 0.21 0.56 -0.22 -0.31 0.00 0.00 0.00 175.10 175.34 1wun s TYR 228 N -0.05 1.94 0.21 5.22 1.51 -0.33 -1.91 117.35 123.94 1wun s TYR 228 Ca -0.05 -0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 55.30 1wun s TYR 228 Cb -0.14 -1.10 -0.10 0.00 -0.11 0.00 0.00 41.96 40.50 1wun s TYR 228 CO 0.05 0.18 1.50 0.99 -1.11 0.00 0.00 175.55 177.16 1wun s THR 229 N -0.98 2.63 -0.99 -0.71 2.01 -0.41 -2.00 115.64 115.20 1wun s THR 229 Ca 0.09 0.49 -0.21 0.00 0.31 0.00 0.00 61.69 62.37 1wun s THR 229 Cb -0.10 -3.31 0.09 0.00 0.01 0.00 0.00 72.50 69.19 1wun s THR 229 CO 0.03 0.06 1.30 -0.60 -0.69 0.00 0.00 174.62 174.72 1wun s ARG 230 N 0.34 3.61 0.57 4.92 3.52 -0.06 -2.69 118.95 129.17 1wun s ARG 230 Ca 0.64 -1.48 0.29 0.00 -0.13 0.00 0.00 55.73 55.06 1wun s ARG 230 Cb -0.43 -5.14 1.46 0.00 -1.56 0.00 0.00 34.95 29.28 1wun s ARG 230 CO 0.38 -1.99 1.89 0.28 -0.81 0.00 0.00 175.30 175.05 1wun h VAL 231 N 6.26 0.44 -0.19 7.11 2.07 -1.82 -2.08 116.25 128.03 1wun h VAL 231 Ca 0.19 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.76 1wun h VAL 231 Cb 1.01 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1wun h VAL 231 CO 1.27 0.00 0.14 0.77 0.02 0.00 0.00 177.57 179.77 1wun h SER 232 N 0.00 0.00 1.11 0.57 4.64 -1.89 -0.72 113.55 117.27 1wun h SER 232 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1wun h SER 232 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1wun h SER 232 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1wun n GLN 233 N -4.43 0.24 -0.15 4.77 1.13 -0.78 -3.41 117.38 114.75 1wun n GLN 233 Ca 0.02 0.33 0.05 0.00 -1.94 0.00 0.00 57.00 55.45 1wun n GLN 233 Cb 0.28 -1.85 0.13 0.00 0.11 0.00 0.00 30.24 28.91 1wun n GLN 233 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1wun n TYR 234 N -2.28 0.39 -0.04 1.08 4.01 -0.29 -4.72 117.16 115.30 1wun n TYR 234 Ca 0.04 -0.48 -0.08 0.00 -0.16 0.00 0.00 57.90 57.22 1wun n TYR 234 Cb 0.33 -0.03 -0.02 0.00 -0.31 0.00 0.00 39.34 39.31 1wun n TYR 234 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1wun h ILE 235 N 1.77 0.68 -0.10 -0.72 1.08 -1.55 0.11 117.51 118.78 1wun h ILE 235 Ca 0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1wun h ILE 235 Cb 0.69 0.68 -0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1wun h ILE 235 CO 0.00 0.00 0.05 -0.33 -0.69 0.00 0.00 178.15 177.18 1wun h GLU 236 N -0.07 0.14 -0.45 2.37 5.08 -1.86 -1.70 114.58 118.09 1wun h GLU 236 Ca 0.12 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 1wun h GLU 236 Cb 0.25 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 1wun h GLU 236 CO -0.26 0.21 0.03 2.35 -1.00 0.00 0.00 179.01 180.34 1wun h TRP 237 N 0.03 0.02 -0.07 4.33 7.01 -1.77 -1.92 115.95 123.58 1wun h TRP 237 Ca 0.03 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 1wun h TRP 237 Cb 0.12 0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.24 1wun h TRP 237 CO -0.03 -0.07 0.01 -0.07 -2.79 0.00 0.00 178.44 175.49 1wun h LEU 238 N 0.14 0.12 -1.10 0.65 3.38 -0.66 -2.83 115.31 115.01 1wun h LEU 238 Ca 0.22 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1wun h LEU 238 Cb 0.32 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1wun h LEU 238 CO -0.35 0.34 0.61 1.56 0.09 0.00 0.00 178.44 180.69 1wun h GLN 239 N -0.11 1.20 -0.54 1.13 4.20 -1.06 -1.11 115.11 118.82 1wun h GLN 239 Ca 0.02 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 1wun h GLN 239 Cb 0.28 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1wun h GLN 239 CO 0.00 0.80 -0.08 -0.22 -0.67 0.00 0.00 178.83 178.66 1wun h LYS 240 N 1.24 1.00 -0.10 1.46 3.64 -1.37 -3.03 116.57 119.41 1wun h LYS 240 Ca 0.34 -0.36 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 1wun h LYS 240 Cb -0.14 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1wun h LYS 240 CO -0.07 1.04 -0.46 -0.07 -2.27 0.00 0.00 179.45 177.62 1wun h LEU 241 N 0.87 0.25 -0.15 5.20 3.38 -1.20 -2.66 115.31 121.00 1wun h LEU 241 Ca 0.14 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1wun h LEU 241 Cb 0.64 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1wun h LEU 241 CO 0.04 0.68 0.00 0.23 0.09 0.00 0.00 178.44 179.48 1wun n MET 242 N -3.99 0.04 0.00 1.13 2.81 -0.46 -1.92 117.12 114.74 1wun n MET 242 Ca -0.02 0.28 0.10 0.00 -1.81 0.00 0.00 57.70 56.25 1wun n MET 242 Cb 0.51 -1.58 0.07 0.00 -0.71 0.00 0.00 33.22 31.51 1wun n MET 242 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1wun n ARG 243 N -1.66 1.68 -2.67 0.03 1.74 -1.01 -5.00 116.66 109.76 1wun n ARG 243 Ca 0.03 -1.52 -0.29 0.00 -0.77 0.00 0.00 57.85 55.30 1wun n ARG 243 Cb 0.19 -1.37 -0.01 0.00 -1.02 0.00 0.00 32.46 30.25 1wun n ARG 243 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wun s SER 244 N -1.71 6.36 0.28 0.55 0.01 -0.81 -5.06 113.70 113.33 1wun s SER 244 Ca 0.21 1.04 -0.29 0.00 1.31 0.00 0.00 55.95 58.23 1wun s SER 244 Cb 0.16 -2.29 -0.09 0.00 0.21 0.00 0.00 66.02 64.00 1wun s SER 244 CO 0.28 -0.52 1.05 -1.61 0.41 0.00 0.00 173.24 172.84 1wun s GLU 245 N -4.41 4.64 0.61 12.44 2.02 -1.26 -5.00 118.70 127.74 1wun s GLU 245 Ca 0.49 1.67 -0.19 0.00 0.02 0.00 0.00 54.97 56.97 1wun s GLU 245 Cb -0.10 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 1wun s GLU 245 CO 0.40 0.25 1.10 -0.35 0.02 0.00 0.00 175.26 176.68 1wun n PRO 246 N 1.10 1.03 -3.75 0.39 -0.04 -1.26 -5.02 135.00 127.45 1wun n PRO 246 Ca -0.01 0.40 -0.20 0.00 -0.04 0.00 0.00 63.50 63.65 1wun n PRO 246 Cb 0.46 -2.31 -0.02 0.00 -0.04 0.00 0.00 33.50 31.59 1wun n PRO 246 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wun s ARG 247 N -2.95 3.22 0.08 0.54 1.81 -1.26 -5.05 118.95 115.34 1wun s ARG 247 Ca 0.78 -0.92 -0.35 0.00 -1.72 0.00 0.00 55.73 53.51 1wun s ARG 247 Cb -0.41 -2.81 -0.17 0.00 -0.45 0.00 0.00 34.95 31.11 1wun s ARG 247 CO 0.45 0.25 1.57 -1.35 -0.68 0.00 0.00 175.30 175.54 1wun h PRO 248 N 1.07 -0.97 -7.40 3.54 0.11 -1.97 -3.44 132.00 122.94 1wun h PRO 248 Ca -0.49 0.07 -0.46 0.00 0.11 0.00 0.00 66.00 65.23 1wun h PRO 248 Cb 1.24 0.22 0.11 0.00 0.11 0.00 0.00 31.00 32.68 1wun h PRO 248 CO 0.57 -0.65 0.24 0.20 -0.21 0.00 0.00 178.00 178.16 1wun s GLY 249 N -2.13 1.75 -0.08 -0.55 0.00 -1.26 -5.04 107.32 100.00 1wun s GLY 249 Ca -0.18 -1.31 -0.13 0.00 0.00 0.00 0.00 44.72 43.11 1wun s GLY 249 CO 0.61 -0.73 0.45 -2.08 0.00 0.00 0.00 173.10 171.35 1wun h VAL 250 N -0.90 0.49 -3.25 1.40 2.07 -1.86 -3.46 116.25 110.73 1wun h VAL 250 Ca -0.41 -1.16 -0.53 0.00 0.82 0.00 0.00 66.70 65.41 1wun h VAL 250 Cb 1.27 0.87 0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1wun h VAL 250 CO 0.46 0.15 0.57 -0.22 0.02 0.00 0.00 177.57 178.55 1wun s LEU 251 N -8.72 4.39 -0.03 2.57 2.96 -1.26 -1.53 118.68 117.07 1wun s LEU 251 Ca -0.08 2.09 0.00 0.00 -0.22 0.00 0.00 54.13 55.93 1wun s LEU 251 Cb -0.00 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 43.13 1wun s LEU 251 CO 0.27 -0.45 0.01 -0.22 -1.32 0.00 0.00 176.35 174.64 1wun s LEU 252 N 0.74 1.11 -0.28 -0.68 2.96 -0.54 -4.95 118.68 117.05 1wun s LEU 252 Ca 0.58 0.00 -0.08 0.00 -0.22 0.00 0.00 54.13 54.41 1wun s LEU 252 Cb -0.31 -0.15 -0.01 0.00 0.50 0.00 0.00 46.19 46.22 1wun s LEU 252 CO 0.31 -0.12 0.09 -0.13 -1.32 0.00 0.00 176.35 175.18 1wun s ARG 253 N 1.06 3.40 -0.06 1.98 3.00 -1.26 -1.26 118.95 125.82 1wun s ARG 253 Ca -0.09 -0.65 0.01 0.00 0.00 0.00 0.00 55.73 54.99 1wun s ARG 253 Cb -0.13 -3.38 -0.03 0.00 0.00 0.00 0.00 34.95 31.41 1wun s ARG 253 CO -0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 175.30 174.91 1wun s ALA 254 N 1.57 3.08 0.56 2.13 0.00 -0.56 -4.73 121.76 123.82 1wun s ALA 254 Ca 0.05 -0.89 -0.21 0.00 0.00 0.00 0.00 51.96 50.91 1wun s ALA 254 Cb -0.16 -1.28 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 1wun s ALA 254 CO 0.04 0.59 1.21 -0.35 0.00 0.00 0.00 175.76 177.24 1wun n PRO 255 N 2.05 1.37 -3.76 0.00 -0.04 -1.26 -0.01 135.00 133.34 1wun n PRO 255 Ca -0.17 0.51 -0.14 0.00 -0.04 0.00 0.00 63.50 63.66 1wun n PRO 255 Cb 0.53 -2.41 -0.15 0.00 -0.04 0.00 0.00 33.50 31.43 1wun n PRO 255 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1wun s PHE 256 N -1.36 -0.11 -1.06 0.54 5.36 -1.26 -4.76 117.98 115.33 1wun s PHE 256 Ca 0.73 0.38 0.00 0.00 -0.96 0.00 0.00 56.93 57.08 1wun s PHE 256 Cb -0.43 -0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.15 1wun s PHE 256 CO 0.48 -0.14 0.26 -2.30 -1.46 0.00 0.00 175.22 172.07