#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wun s VAL 7 N 0.00 1.60 0.36 2.28 1.01 -1.26 -5.10 120.40 119.29 1wun s VAL 7 Ca 0.00 -0.96 -0.26 0.00 0.00 0.00 0.00 61.98 60.76 1wun s VAL 7 Cb 0.00 -1.35 -0.09 0.00 0.00 0.00 0.00 36.38 34.94 1wun s VAL 7 CO 0.00 0.37 1.13 0.00 0.00 0.00 0.00 175.10 176.60 1wun s ALA 8 N -0.57 3.23 0.88 5.51 0.00 -1.26 -4.83 121.76 124.72 1wun s ALA 8 Ca 0.08 0.91 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 1wun s ALA 8 Cb -0.08 -3.35 0.12 0.00 0.00 0.00 0.00 23.12 19.82 1wun s ALA 8 CO -0.00 -0.36 1.11 0.00 0.00 0.00 0.00 175.76 176.51 1wun s ALA 9 N -1.38 1.61 0.18 0.00 0.00 -1.26 -4.82 121.76 116.08 1wun s ALA 9 Ca 0.53 0.36 -0.10 0.00 0.00 0.00 0.00 51.96 52.75 1wun s ALA 9 Cb -0.30 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.47 1wun s ALA 9 CO 0.38 -2.46 0.34 1.52 0.00 0.00 0.00 175.76 175.54 1wun s TYR 10 N -2.75 0.34 -1.38 0.00 -0.85 -0.54 -4.66 117.35 107.51 1wun s TYR 10 Ca 0.65 -0.69 -0.09 0.00 -0.52 0.00 0.00 57.07 56.41 1wun s TYR 10 Cb -0.20 0.03 0.03 0.00 0.38 0.00 0.00 41.96 42.19 1wun s TYR 10 CO 0.58 -0.78 1.10 0.09 -1.52 0.00 0.00 175.55 175.01 1wun n ASN 11 N -0.26 -5.32 -4.69 -0.18 3.02 -1.26 -1.46 115.26 105.11 1wun n ASN 11 Ca -0.07 -0.62 -0.42 0.00 -0.03 0.00 0.00 54.58 53.44 1wun n ASN 11 Cb 0.63 -4.73 -0.03 0.00 -0.61 0.00 0.00 39.78 35.04 1wun n ASN 11 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wun s LEU 12 N -7.18 4.37 0.02 3.41 1.02 -1.26 -4.45 118.68 114.61 1wun s LEU 12 Ca 0.52 2.52 0.03 0.00 0.02 0.00 0.00 54.13 57.22 1wun s LEU 12 Cb -0.24 -3.57 -0.02 0.00 0.02 0.00 0.00 46.19 42.39 1wun s LEU 12 CO 0.76 -0.89 -0.10 -0.89 0.02 0.00 0.00 176.35 175.24 1wun s THR 13 N 2.54 0.81 -0.17 5.49 2.01 0.20 -4.54 115.64 121.98 1wun s THR 13 Ca 0.74 -0.79 -0.14 0.00 0.31 0.00 0.00 61.69 61.81 1wun s THR 13 Cb -0.41 -0.75 -0.05 0.00 0.01 0.00 0.00 72.50 71.31 1wun s THR 13 CO 0.33 -0.03 0.29 0.26 -0.69 0.00 0.00 174.62 174.78 1wun s TRP 14 N -0.74 3.44 -0.35 4.92 0.52 -1.26 -1.02 118.94 124.45 1wun s TRP 14 Ca -0.01 0.57 0.02 0.00 0.02 0.00 0.00 56.10 56.70 1wun s TRP 14 Cb -0.07 -2.36 0.10 0.00 -1.15 0.00 0.00 33.47 29.99 1wun s TRP 14 CO 0.01 0.19 0.07 0.15 0.02 0.00 0.00 176.95 177.38 1wun s LYS 15 N 0.63 1.70 -0.03 4.98 -0.14 0.28 -4.99 119.74 122.17 1wun s LYS 15 Ca 0.16 -1.79 0.01 0.00 -1.36 0.00 0.00 55.97 52.99 1wun s LYS 15 Cb -0.13 -3.26 0.02 0.00 -1.68 0.00 0.00 37.83 32.78 1wun s LYS 15 CO 0.04 -0.92 -0.05 0.45 -0.76 0.00 0.00 175.35 174.11 1wun s SER 16 N 1.13 0.94 -0.05 2.83 0.15 -1.26 -0.50 113.70 116.94 1wun s SER 16 Ca 0.08 -0.14 -0.02 0.00 0.70 0.00 0.00 55.95 56.57 1wun s SER 16 Cb -0.20 -0.38 0.04 0.00 -1.71 0.00 0.00 66.02 63.77 1wun s SER 16 CO -0.07 -0.01 0.09 -0.89 1.20 0.00 0.00 173.24 173.56 1wun s THR 17 N 0.63 -0.13 -1.32 6.45 2.01 -0.46 -1.67 115.64 121.15 1wun s THR 17 Ca -0.09 0.32 -0.06 0.00 0.31 0.00 0.00 61.69 62.17 1wun s THR 17 Cb -0.12 -0.18 0.04 0.00 0.01 0.00 0.00 72.50 72.25 1wun s THR 17 CO 0.00 0.13 0.41 0.59 -0.69 0.00 0.00 174.62 175.07 1wun n ASN 18 N 4.86 -4.45 0.00 3.53 3.02 0.13 -1.08 115.26 121.27 1wun n ASN 18 Ca -0.13 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 1wun n ASN 18 Cb 0.50 -3.67 0.00 0.00 -0.61 0.00 0.00 39.78 36.00 1wun n ASN 18 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1wun n PHE 19 N -3.99 0.00 -2.12 3.10 3.72 -1.26 -2.35 117.46 114.56 1wun n PHE 19 Ca -0.07 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.90 1wun n PHE 19 Cb 0.58 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 39.08 1wun n PHE 19 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1wun s LYS 20 N -0.00 3.70 -0.16 -1.08 2.47 -0.24 -4.75 119.74 119.68 1wun s LYS 20 Ca 0.00 1.55 0.01 0.00 -1.56 0.00 0.00 55.97 55.97 1wun s LYS 20 Cb 0.00 -4.06 0.02 0.00 -1.46 0.00 0.00 37.83 32.33 1wun s LYS 20 CO 0.00 -1.41 -0.18 0.99 0.16 0.00 0.00 175.35 174.91 1wun s THR 21 N 5.48 1.86 -0.05 3.43 2.01 -1.26 -1.35 115.64 125.76 1wun s THR 21 Ca 0.71 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.94 1wun s THR 21 Cb -0.23 -1.70 -0.00 0.00 0.01 0.00 0.00 72.50 70.58 1wun s THR 21 CO 0.30 0.51 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.93 1wun s ILE 22 N 1.32 1.48 -0.18 1.82 1.01 0.34 -1.00 121.20 125.99 1wun s ILE 22 Ca 0.04 -0.73 -0.14 0.00 0.00 0.00 0.00 60.65 59.82 1wun s ILE 22 Cb -0.13 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 1wun s ILE 22 CO -0.11 0.43 0.28 -0.22 0.00 0.00 0.00 174.94 175.32 1wun s LEU 23 N 0.13 4.21 0.22 2.97 2.96 -0.20 -0.56 118.68 128.42 1wun s LEU 23 Ca -0.06 0.44 0.11 0.00 -0.22 0.00 0.00 54.13 54.39 1wun s LEU 23 Cb -0.13 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 44.17 1wun s LEU 23 CO 0.03 0.07 -0.20 -1.61 -1.32 0.00 0.00 176.35 173.31 1wun s GLU 24 N 0.69 1.52 0.30 1.98 2.02 -0.18 -0.60 118.70 124.44 1wun s GLU 24 Ca 0.15 -1.61 -0.12 0.00 0.02 0.00 0.00 54.97 53.41 1wun s GLU 24 Cb -0.13 -1.65 0.05 0.00 0.10 0.00 0.00 34.13 32.50 1wun s GLU 24 CO 0.04 0.33 0.66 -2.67 0.02 0.00 0.00 175.26 173.63 1wun n TRP 25 N -0.16 -2.02 -4.32 1.61 2.14 -0.61 -0.63 117.44 113.45 1wun n TRP 25 Ca -0.09 -1.45 -0.17 0.00 2.07 0.00 0.00 57.50 57.86 1wun n TRP 25 Cb 0.58 0.73 -0.10 0.00 -0.81 0.00 0.00 31.31 31.71 1wun n TRP 25 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1wun s GLU 26 N -2.07 1.28 0.55 -2.67 2.02 -0.54 -4.82 118.70 112.46 1wun s GLU 26 Ca 0.13 -1.61 0.08 0.00 0.02 0.00 0.00 54.97 53.59 1wun s GLU 26 Cb -0.04 -0.76 0.06 0.00 0.10 0.00 0.00 34.13 33.49 1wun s GLU 26 CO 0.09 0.01 0.60 -1.25 0.02 0.00 0.00 175.26 174.73 1wun s PRO 27 N -3.78 2.30 -0.36 0.39 0.04 -1.26 -1.46 135.00 130.86 1wun s PRO 27 Ca 0.24 -1.81 -0.27 0.00 0.04 0.00 0.00 61.00 59.20 1wun s PRO 27 Cb 0.04 -2.39 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1wun s PRO 27 CO 0.06 -0.72 2.25 0.15 0.04 0.00 0.00 177.00 178.79 1wun s LYS 28 N -4.47 2.69 0.04 4.56 -0.14 -1.26 -4.84 119.74 116.33 1wun s LYS 28 Ca 0.48 1.65 -0.37 0.00 -1.36 0.00 0.00 55.97 56.38 1wun s LYS 28 Cb -0.04 -4.45 -0.19 0.00 -1.68 0.00 0.00 37.83 31.47 1wun s LYS 28 CO 0.30 -2.61 0.95 -0.35 -0.76 0.00 0.00 175.35 172.88 1wun n PRO 29 N 8.87 0.01 -3.66 -1.68 -0.04 -1.26 -4.99 135.00 132.25 1wun n PRO 29 Ca 0.32 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.49 1wun n PRO 29 Cb 0.50 -1.40 -0.15 0.00 -0.04 0.00 0.00 33.50 32.41 1wun n PRO 29 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1wun s VAL 30 N -0.22 0.51 -0.70 0.52 1.01 -1.26 -4.76 120.40 115.50 1wun s VAL 30 Ca 0.85 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1wun s VAL 30 Cb -1.19 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1wun s VAL 30 CO 0.57 -0.68 0.00 0.59 0.00 0.00 0.00 175.10 175.58 1wun n ASN 31 N 5.00 -3.84 -3.80 3.32 5.03 -1.26 -5.01 115.26 114.71 1wun n ASN 31 Ca -0.04 0.16 -0.13 0.00 0.87 0.00 0.00 54.58 55.45 1wun n ASN 31 Cb 0.42 -1.93 -0.12 0.00 -1.02 0.00 0.00 39.78 37.14 1wun n ASN 31 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1wun s GLN 32 N -2.51 0.24 0.37 3.52 -2.07 -1.26 -4.46 119.66 113.50 1wun s GLN 32 Ca 0.00 0.31 0.08 0.00 -1.82 0.00 0.00 55.36 53.92 1wun s GLN 32 Cb 0.00 0.11 -0.03 0.00 -1.09 0.00 0.00 33.01 31.99 1wun s GLN 32 CO 0.00 -0.04 0.25 0.14 -1.32 0.00 0.00 175.29 174.32 1wun s VAL 33 N 0.18 2.93 0.14 3.63 -7.23 -0.16 -4.73 120.40 115.16 1wun s VAL 33 Ca -0.01 -1.52 0.06 0.00 -1.81 0.00 0.00 61.98 58.71 1wun s VAL 33 Cb -0.02 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.84 1wun s VAL 33 CO -0.00 -0.10 -0.14 -0.31 -0.31 0.00 0.00 175.10 174.24 1wun s TYR 34 N -2.44 1.48 -0.05 2.82 2.02 -0.14 -1.04 117.35 120.00 1wun s TYR 34 Ca 0.42 -0.57 -0.02 0.00 -0.37 0.00 0.00 57.07 56.52 1wun s TYR 34 Cb -0.02 -0.75 0.03 0.00 -0.40 0.00 0.00 41.96 40.82 1wun s TYR 34 CO 0.25 0.19 0.11 0.99 -1.57 0.00 0.00 175.55 175.52 1wun s THR 35 N -2.41 -0.05 0.06 -0.71 2.01 -1.14 -0.65 115.64 112.75 1wun s THR 35 Ca 0.13 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.32 1wun s THR 35 Cb -0.03 -0.18 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 1wun s THR 35 CO 0.04 0.07 0.12 -0.69 -0.69 0.00 0.00 174.62 173.47 1wun s VAL 36 N 1.06 4.85 -0.01 3.82 1.01 -0.28 -1.10 120.40 129.77 1wun s VAL 36 Ca -0.08 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1wun s VAL 36 Cb -0.11 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1wun s VAL 36 CO -0.05 0.16 -0.11 -1.10 0.00 0.00 0.00 175.10 174.00 1wun s GLN 37 N -2.35 0.91 0.08 2.72 -0.21 -0.70 0.91 119.66 121.01 1wun s GLN 37 Ca 0.30 -0.42 0.02 0.00 0.02 0.00 0.00 55.36 55.28 1wun s GLN 37 Cb -0.12 -0.88 -0.03 0.00 1.00 0.00 0.00 33.01 32.97 1wun s GLN 37 CO 0.23 0.24 -0.08 -1.50 -2.12 0.00 0.00 175.29 172.06 1wun s ILE 38 N -0.31 0.70 0.04 1.08 2.07 -0.31 -1.12 121.20 123.35 1wun s ILE 38 Ca 0.04 -1.55 -0.28 0.00 -1.41 0.00 0.00 60.65 57.45 1wun s ILE 38 Cb -0.05 -1.21 0.10 0.00 0.13 0.00 0.00 42.46 41.43 1wun s ILE 38 CO -0.00 -0.61 1.21 -0.94 -1.91 0.00 0.00 174.94 172.68 1wun s SER 39 N -2.36 -0.04 0.20 4.50 1.04 -0.75 -1.57 113.70 114.72 1wun s SER 39 Ca 0.02 -0.27 0.06 0.00 0.48 0.00 0.00 55.95 56.23 1wun s SER 39 Cb -0.02 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 1wun s SER 39 CO -0.02 -0.48 0.18 0.42 0.98 0.00 0.00 173.24 174.32 1wun s THR 40 N -2.38 4.56 0.60 2.02 -4.23 -1.26 -1.50 115.64 113.46 1wun s THR 40 Ca 0.19 -1.18 0.28 0.00 -1.18 0.00 0.00 61.69 59.80 1wun s THR 40 Cb 0.01 -3.39 0.38 0.00 1.34 0.00 0.00 72.50 70.84 1wun s THR 40 CO -0.01 -0.22 1.75 0.50 -0.54 0.00 0.00 174.62 176.11 1wun h LYS 41 N 1.96 0.00 -0.08 3.99 3.64 -1.98 -0.61 116.57 123.48 1wun h LYS 41 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1wun h LYS 41 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1wun h LYS 41 CO 0.62 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 178.23 1wun n SER 42 N -3.55 2.02 -4.99 4.20 7.64 -1.26 -5.04 113.62 112.63 1wun n SER 42 Ca 0.12 -1.75 -0.19 0.00 1.01 0.00 0.00 58.87 58.06 1wun n SER 42 Cb 0.87 -0.06 0.02 0.00 -1.01 0.00 0.00 64.21 64.03 1wun n SER 42 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wun s GLY 43 N -0.80 1.94 0.69 0.23 0.00 -0.24 -5.11 107.32 104.04 1wun s GLY 43 Ca 0.07 -1.82 -0.11 0.00 0.00 0.00 0.00 44.72 42.85 1wun s GLY 43 CO 0.05 -1.61 1.07 0.99 0.00 0.00 0.00 173.10 173.60 1wun s ASP 44 N -4.41 5.58 0.03 1.64 1.01 -1.26 -4.62 116.67 114.65 1wun s ASP 44 Ca 0.55 1.29 -0.25 0.00 0.71 0.00 0.00 52.55 54.85 1wun s ASP 44 Cb -0.07 -2.17 -0.05 0.00 1.01 0.00 0.00 42.92 41.64 1wun s ASP 44 CO 0.33 -1.27 0.77 0.26 0.21 0.00 0.00 175.17 175.47 1wun s TRP 45 N -3.25 3.72 -0.12 4.23 0.52 -1.26 -4.60 118.94 118.18 1wun s TRP 45 Ca 0.57 1.46 0.01 0.00 0.02 0.00 0.00 56.10 58.16 1wun s TRP 45 Cb -0.12 -2.83 -0.01 0.00 -1.15 0.00 0.00 33.47 29.37 1wun s TRP 45 CO 0.53 0.25 -0.16 0.21 0.02 0.00 0.00 176.95 177.80 1wun s LYS 46 N 0.06 3.26 0.28 4.98 2.20 -0.61 -4.93 119.74 124.99 1wun s LYS 46 Ca 0.39 -0.74 -0.19 0.00 -0.36 0.00 0.00 55.97 55.07 1wun s LYS 46 Cb -0.20 -2.53 -0.09 0.00 -1.51 0.00 0.00 37.83 33.50 1wun s LYS 46 CO 0.23 0.22 0.76 -1.12 -0.36 0.00 0.00 175.35 175.08 1wun s SER 47 N 0.31 6.98 0.06 1.43 0.01 -1.26 -1.17 113.70 120.06 1wun s SER 47 Ca -0.12 1.42 -0.05 0.00 1.31 0.00 0.00 55.95 58.51 1wun s SER 47 Cb -0.16 -2.42 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 1wun s SER 47 CO 0.06 -0.08 0.09 -0.54 0.41 0.00 0.00 173.24 173.19 1wun s LYS 48 N -2.39 0.68 -1.24 12.44 -0.14 0.26 -4.94 119.74 124.42 1wun s LYS 48 Ca 0.48 -0.96 -0.16 0.00 -1.36 0.00 0.00 55.97 53.97 1wun s LYS 48 Cb -0.14 0.26 0.00 0.00 -1.68 0.00 0.00 37.83 36.27 1wun s LYS 48 CO 0.19 -0.18 0.65 0.00 -0.76 0.00 0.00 175.35 175.25 1wun n PHE 50 N -4.40 2.39 -4.06 0.00 3.72 -1.26 -3.06 117.46 110.79 1wun n PHE 50 Ca -0.17 -0.06 -0.29 0.00 -0.05 0.00 0.00 57.45 56.88 1wun n PHE 50 Cb 0.62 -2.68 -0.03 0.00 -0.94 0.00 0.00 39.48 36.45 1wun n PHE 50 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1wun n TYR 51 N 6.32 -1.66 -3.00 1.38 4.01 -0.25 -4.95 117.16 119.00 1wun n TYR 51 Ca 0.21 0.76 -0.32 0.00 -0.16 0.00 0.00 57.90 58.39 1wun n TYR 51 Cb 0.32 -3.44 -0.05 0.00 -0.31 0.00 0.00 39.34 35.87 1wun n TYR 51 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1wun s THR 52 N -3.78 4.72 -2.38 -0.72 -1.32 0.18 -4.66 115.64 107.68 1wun s THR 52 Ca 0.24 0.82 0.20 0.00 -1.21 0.00 0.00 61.69 61.74 1wun s THR 52 Cb -0.13 -3.66 0.13 0.00 -1.51 0.00 0.00 72.50 67.32 1wun s THR 52 CO 0.91 -0.34 1.11 0.35 -2.21 0.00 0.00 174.62 174.43 1wun n THR 53 N -0.79 0.00 -1.62 5.08 -2.24 -1.26 -0.96 114.28 112.48 1wun n THR 53 Ca 0.03 -0.46 -0.30 0.00 -2.27 0.00 0.00 64.05 61.05 1wun n THR 53 Cb 0.54 1.38 0.09 0.00 -2.10 0.00 0.00 70.33 70.24 1wun n THR 53 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1wun s ASP 54 N -1.78 4.58 -0.34 3.42 1.01 -1.26 -4.59 116.67 117.71 1wun s ASP 54 Ca 0.22 1.24 0.07 0.00 0.71 0.00 0.00 52.55 54.79 1wun s ASP 54 Cb 0.17 -1.96 0.49 0.00 1.01 0.00 0.00 42.92 42.63 1wun s ASP 54 CO 0.30 -1.90 1.48 0.35 0.21 0.00 0.00 175.17 175.60 1wun n THR 55 N -3.38 2.69 -3.83 -1.27 -2.24 -1.26 -4.86 114.28 100.13 1wun n THR 55 Ca 0.07 -3.10 -0.09 0.00 -2.27 0.00 0.00 64.05 58.66 1wun n THR 55 Cb 0.57 -0.60 -0.07 0.00 -2.10 0.00 0.00 70.33 68.13 1wun n THR 55 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1wun s GLU 56 N -3.40 0.88 -0.25 -0.78 -1.05 -1.26 -1.58 118.70 111.26 1wun s GLU 56 Ca 0.49 -0.94 -0.08 0.00 -0.15 0.00 0.00 54.97 54.29 1wun s GLU 56 Cb 0.42 0.36 0.12 0.00 -0.44 0.00 0.00 34.13 34.59 1wun s GLU 56 CO 0.00 -0.29 0.54 0.00 0.95 0.00 0.00 175.26 176.46 1wun s ASP 58 N 2.76 7.03 -0.07 0.00 2.15 -1.26 -1.03 116.67 126.24 1wun s ASP 58 Ca -0.02 1.73 0.11 0.00 0.43 0.00 0.00 52.55 54.79 1wun s ASP 58 Cb -0.12 -2.55 0.18 0.00 -0.30 0.00 0.00 42.92 40.13 1wun s ASP 58 CO -0.16 -0.64 1.11 0.18 -0.17 0.00 0.00 175.17 175.49 1wun n LEU 59 N 5.73 2.32 0.02 -1.34 4.77 -0.17 -4.81 117.00 123.51 1wun n LEU 59 Ca 0.12 -2.58 -0.11 0.00 -0.03 0.00 0.00 56.01 53.40 1wun n LEU 59 Cb 0.46 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1wun n LEU 59 CO 0.55 0.62 0.64 0.74 -1.33 0.00 0.00 177.39 178.61 1wun h THR 60 N 0.19 0.27 -0.15 -5.08 2.02 -1.79 -1.46 112.91 106.90 1wun h THR 60 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1wun h THR 60 Cb 0.81 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1wun h THR 60 CO 0.01 0.00 0.16 0.44 0.37 0.00 0.00 175.52 176.51 1wun h ASP 61 N -0.44 0.00 0.04 4.18 3.32 -1.91 -2.14 116.42 119.47 1wun h ASP 61 Ca 0.08 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1wun h ASP 61 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1wun h ASP 61 CO -0.34 0.00 -0.40 -0.33 -1.72 0.00 0.00 179.24 176.45 1wun h GLU 62 N 0.00 0.08 0.00 3.56 4.39 -1.67 -3.38 114.58 117.56 1wun h GLU 62 Ca 0.07 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 1wun h GLU 62 Cb 0.40 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1wun h GLU 62 CO -0.00 1.07 -0.31 -0.84 -1.16 0.00 0.00 179.01 177.76 1wun h ILE 63 N -0.82 0.79 0.00 3.13 -0.00 -0.98 -2.91 117.51 116.72 1wun h ILE 63 Ca -0.09 -1.32 0.00 0.00 -0.00 0.00 0.00 64.86 63.46 1wun h ILE 63 Cb 1.22 1.82 0.00 0.00 -0.00 0.00 0.00 36.82 39.86 1wun h ILE 63 CO 0.02 0.31 0.00 1.33 -0.00 0.00 0.00 178.15 179.80 1wun n VAL 64 N -3.54 0.22 0.19 0.16 0.24 -0.84 -2.68 118.33 112.08 1wun n VAL 64 Ca -0.00 0.05 0.04 0.00 -2.04 0.00 0.00 64.34 62.39 1wun n VAL 64 Cb 0.46 -0.70 0.37 0.00 -1.47 0.00 0.00 33.84 32.50 1wun n VAL 64 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1wun h LYS 65 N 0.00 0.00 -0.74 7.34 1.57 -1.69 -3.39 116.57 119.65 1wun h LYS 65 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1wun h LYS 65 Cb 0.13 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.26 1wun h LYS 65 CO 0.00 0.38 -0.34 0.34 -0.57 0.00 0.00 179.45 179.26 1wun s ASP 66 N -6.68 -1.14 0.11 0.86 -1.08 -1.09 -5.03 116.67 102.61 1wun s ASP 66 Ca -0.02 -0.64 0.12 0.00 -0.52 0.00 0.00 52.55 51.49 1wun s ASP 66 Cb 0.13 1.46 0.57 0.00 -1.46 0.00 0.00 42.92 43.61 1wun s ASP 66 CO 0.70 -0.12 1.38 1.33 0.52 0.00 0.00 175.17 178.98 1wun n VAL 67 N 4.07 1.34 1.07 1.11 0.24 -1.12 -2.07 118.33 122.97 1wun n VAL 67 Ca 0.10 0.44 0.12 0.00 -2.04 0.00 0.00 64.34 62.95 1wun n VAL 67 Cb 0.59 -1.36 0.16 0.00 -1.47 0.00 0.00 33.84 31.77 1wun n VAL 67 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1wun n LYS 68 N -1.77 0.44 -1.65 7.34 5.02 -1.26 -0.74 118.16 125.53 1wun n LYS 68 Ca 0.01 -0.30 -0.31 0.00 -2.02 0.00 0.00 58.31 55.68 1wun n LYS 68 Cb 0.09 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.65 1wun n LYS 68 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wun s GLN 69 N -2.77 3.09 -0.23 1.97 -1.52 -0.88 -4.94 119.66 114.38 1wun s GLN 69 Ca 0.15 0.92 -0.09 0.00 -1.95 0.00 0.00 55.36 54.39 1wun s GLN 69 Cb 0.18 -2.01 -0.04 0.00 -0.22 0.00 0.00 33.01 30.92 1wun s GLN 69 CO 0.67 -0.97 0.10 0.99 -0.25 0.00 0.00 175.29 175.82 1wun s THR 70 N -3.06 4.85 0.12 -0.19 2.01 -1.26 -4.27 115.64 113.83 1wun s THR 70 Ca 0.57 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.63 1wun s THR 70 Cb -0.13 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1wun s THR 70 CO 0.54 0.37 0.04 -0.31 -0.69 0.00 0.00 174.62 174.57 1wun s TYR 71 N 1.07 3.03 -0.02 4.92 1.51 0.36 -4.12 117.35 124.09 1wun s TYR 71 Ca 0.05 -0.03 0.03 0.00 -1.01 0.00 0.00 57.07 56.12 1wun s TYR 71 Cb -0.14 -1.52 -0.00 0.00 -0.11 0.00 0.00 41.96 40.19 1wun s TYR 71 CO 0.04 0.50 -0.11 -1.17 -1.11 0.00 0.00 175.55 173.70 1wun s LEU 72 N -2.59 1.88 0.20 -1.29 2.96 -0.56 -0.37 118.68 118.91 1wun s LEU 72 Ca 0.28 -0.21 0.07 0.00 -0.22 0.00 0.00 54.13 54.05 1wun s LEU 72 Cb -0.11 -0.60 -0.05 0.00 0.50 0.00 0.00 46.19 45.93 1wun s LEU 72 CO 0.20 0.10 -0.12 0.00 -1.32 0.00 0.00 176.35 175.21 1wun s ALA 73 N 0.01 1.92 -0.06 5.97 0.00 -1.26 -1.82 121.76 126.53 1wun s ALA 73 Ca -0.00 -1.66 -0.11 0.00 0.00 0.00 0.00 51.96 50.19 1wun s ALA 73 Cb -0.07 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1wun s ALA 73 CO 0.00 0.00 0.27 -0.98 0.00 0.00 0.00 175.76 175.05 1wun s ARG 74 N -3.69 0.47 -0.23 0.00 1.70 -0.28 -0.33 118.95 116.59 1wun s ARG 74 Ca 0.22 0.07 -0.05 0.00 -0.47 0.00 0.00 55.73 55.50 1wun s ARG 74 Cb 0.01 0.21 -0.01 0.00 -0.57 0.00 0.00 34.95 34.59 1wun s ARG 74 CO 0.06 -0.10 -0.00 0.08 -1.08 0.00 0.00 175.30 174.26 1wun s VAL 75 N -0.59 3.65 0.25 4.99 1.01 -0.60 -1.73 120.40 127.37 1wun s VAL 75 Ca -0.07 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 1wun s VAL 75 Cb -0.04 -2.70 -0.08 0.00 0.00 0.00 0.00 36.38 33.56 1wun s VAL 75 CO 0.02 0.37 0.68 -0.36 0.00 0.00 0.00 175.10 175.81 1wun s PHE 76 N 1.51 3.52 -0.08 5.22 0.08 -0.25 -2.47 117.98 125.51 1wun s PHE 76 Ca 0.06 1.22 0.05 0.00 0.12 0.00 0.00 56.93 58.38 1wun s PHE 76 Cb -0.15 -2.51 -0.01 0.00 -0.57 0.00 0.00 43.02 39.79 1wun s PHE 76 CO -0.01 0.26 -0.24 -1.12 -0.10 0.00 0.00 175.22 174.00 1wun s SER 77 N -1.95 3.09 0.01 1.36 0.01 0.43 -2.87 113.70 113.78 1wun s SER 77 Ca 0.47 -0.53 0.07 0.00 1.31 0.00 0.00 55.95 57.26 1wun s SER 77 Cb -0.14 -1.14 -0.02 0.00 0.21 0.00 0.00 66.02 64.94 1wun s SER 77 CO 0.19 0.20 -0.20 -0.31 0.41 0.00 0.00 173.24 173.53 1wun s TYR 78 N 0.09 1.78 0.24 2.43 2.02 -0.21 -4.01 117.35 119.69 1wun s TYR 78 Ca -0.11 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.25 1wun s TYR 78 Cb -0.16 -1.10 0.27 0.00 -0.40 0.00 0.00 41.96 40.56 1wun s TYR 78 CO 0.06 0.03 1.60 -1.00 -1.57 0.00 0.00 175.55 174.67 1wun h PRO 79 N 5.27 0.41 -5.26 -1.71 0.13 -1.86 -0.40 132.00 128.58 1wun h PRO 79 Ca -0.40 -0.23 -0.55 0.00 -0.87 0.00 0.00 66.00 63.95 1wun h PRO 79 Cb 1.15 0.01 0.13 0.00 0.13 0.00 0.00 31.00 32.42 1wun h PRO 79 CO 0.46 0.80 -0.77 0.39 -0.23 0.00 0.00 178.00 178.65 1wun n GLU 91 N -3.98 0.00 -1.41 0.86 1.02 -1.26 -4.60 120.64 111.27 1wun n GLU 91 Ca -0.02 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.82 1wun n GLU 91 Cb 0.54 -0.88 0.11 0.00 -0.02 0.00 0.00 31.44 31.20 1wun n GLU 91 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1wun s PRO 92 N -0.88 1.74 0.34 3.49 0.04 -1.26 -5.03 135.00 133.45 1wun s PRO 92 Ca 0.53 0.72 -0.26 0.00 0.04 0.00 0.00 61.00 62.02 1wun s PRO 92 Cb -0.60 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 31.97 1wun s PRO 92 CO 0.54 -1.88 1.04 -0.51 0.04 0.00 0.00 177.00 176.23 1wun s LEU 93 N -5.96 4.32 0.32 -3.56 1.43 -1.26 -4.89 118.68 109.08 1wun s LEU 93 Ca 0.62 2.07 -0.17 0.00 -1.03 0.00 0.00 54.13 55.62 1wun s LEU 93 Cb -0.16 -3.96 0.03 0.00 0.03 0.00 0.00 46.19 42.13 1wun s LEU 93 CO 0.55 -0.28 0.69 -0.72 0.23 0.00 0.00 176.35 176.82 1wun s TYR 94 N -1.47 0.09 -0.08 0.29 1.13 -1.26 -0.43 117.35 115.62 1wun s TYR 94 Ca 0.52 -0.59 -0.05 0.00 -1.41 0.00 0.00 57.07 55.53 1wun s TYR 94 Cb -0.25 0.62 0.03 0.00 -1.10 0.00 0.00 41.96 41.26 1wun s TYR 94 CO 0.31 -1.31 0.19 -2.00 -2.51 0.00 0.00 175.55 170.23 1wun s GLU 95 N -3.32 0.18 0.35 -3.49 2.56 -1.03 -4.78 118.70 109.16 1wun s GLU 95 Ca 0.16 0.35 -0.14 0.00 0.00 0.00 0.00 54.97 55.33 1wun s GLU 95 Cb -0.05 -0.01 -0.08 0.00 2.00 0.00 0.00 34.13 35.99 1wun s GLU 95 CO 0.10 -0.09 0.75 -0.80 -0.56 0.00 0.00 175.26 174.66 1wun s ASN 96 N 0.62 6.72 0.56 -1.70 0.01 -1.26 -1.56 114.94 118.32 1wun s ASN 96 Ca -0.04 1.26 0.04 0.00 -0.71 0.00 0.00 52.86 53.41 1wun s ASN 96 Cb -0.06 -2.37 0.06 0.00 0.41 0.00 0.00 41.25 39.30 1wun s ASN 96 CO -0.03 -0.26 0.78 -0.94 -1.51 0.00 0.00 177.10 175.14 1wun s SER 97 N -2.48 5.12 0.60 -1.22 1.04 0.56 -4.86 113.70 112.45 1wun s SER 97 Ca 0.54 -0.39 -0.16 0.00 0.48 0.00 0.00 55.95 56.42 1wun s SER 97 Cb -0.10 -0.35 -0.03 0.00 0.10 0.00 0.00 66.02 65.63 1wun s SER 97 CO 0.21 -1.26 1.06 -2.84 0.98 0.00 0.00 173.24 171.39 1wun s PRO 98 N -4.72 3.29 0.66 4.02 0.02 -1.26 -4.67 135.00 132.34 1wun s PRO 98 Ca 0.60 1.20 -0.17 0.00 0.02 0.00 0.00 61.00 62.65 1wun s PRO 98 Cb -0.08 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.41 1wun s PRO 98 CO 0.39 -0.83 1.20 -1.21 -0.33 0.00 0.00 177.00 176.21 1wun s GLU 99 N -4.11 2.58 -0.05 5.54 2.02 -1.26 -4.67 118.70 118.74 1wun s GLU 99 Ca 0.63 1.74 -0.02 0.00 0.02 0.00 0.00 54.97 57.34 1wun s GLU 99 Cb -0.16 -1.89 0.03 0.00 0.10 0.00 0.00 34.13 32.21 1wun s GLU 99 CO 0.38 -1.49 0.06 0.12 0.02 0.00 0.00 175.26 174.34 1wun s PHE 100 N -1.87 0.13 -0.52 1.61 5.36 0.50 -4.95 117.98 118.25 1wun s PHE 100 Ca 0.75 0.17 -0.03 0.00 -0.96 0.00 0.00 56.93 56.86 1wun s PHE 100 Cb -0.29 -0.53 0.14 0.00 -0.34 0.00 0.00 43.02 42.00 1wun s PHE 100 CO 0.40 -0.23 0.33 0.99 -1.46 0.00 0.00 175.22 175.25 1wun s THR 101 N 2.15 3.56 0.14 0.12 2.01 -1.26 -0.49 115.64 121.87 1wun s THR 101 Ca 0.05 -2.48 -0.27 0.00 0.31 0.00 0.00 61.69 59.30 1wun s THR 101 Cb -0.12 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 1wun s THR 101 CO -0.04 -0.79 1.35 -2.65 -0.69 0.00 0.00 174.62 171.81 1wun n PRO 102 N 4.08 -0.38 -0.33 4.92 -0.02 -1.21 -1.05 135.00 141.01 1wun n PRO 102 Ca 0.02 1.33 0.12 0.00 -2.02 0.00 0.00 63.50 62.95 1wun n PRO 102 Cb 0.40 -1.95 0.30 0.00 -0.02 0.00 0.00 33.50 32.23 1wun n PRO 102 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1wun h TYR 103 N 0.00 0.93 0.00 6.00 3.20 -1.27 0.29 116.97 126.12 1wun h TYR 103 Ca 0.15 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1wun h TYR 103 Cb 0.37 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1wun h TYR 103 CO -0.90 0.17 -0.71 -0.07 -1.64 0.00 0.00 178.16 175.01 1wun h LEU 104 N 0.66 0.00 0.00 2.82 3.38 -1.50 -3.41 115.31 117.26 1wun h LEU 104 Ca 0.55 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1wun h LEU 104 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1wun h LEU 104 CO -0.41 0.05 -0.92 -0.62 0.09 0.00 0.00 178.44 176.64 1wun n GLU 105 N -2.45 1.00 -1.69 1.13 1.02 -0.21 -4.76 120.64 114.67 1wun n GLU 105 Ca 0.02 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.74 1wun n GLU 105 Cb 0.49 -0.96 -0.03 0.00 -0.02 0.00 0.00 31.44 30.92 1wun n GLU 105 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1wun n THR 106 N -1.46 0.33 -1.88 2.62 5.66 0.92 -4.91 114.28 115.56 1wun n THR 106 Ca 0.00 -0.06 -0.39 0.00 -3.05 0.00 0.00 64.05 60.55 1wun n THR 106 Cb 0.07 -2.12 0.02 0.00 -1.55 0.00 0.00 70.33 66.75 1wun n THR 106 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1wun s ASN 107 N 2.56 5.70 -0.11 1.09 0.01 -0.67 -4.70 114.94 118.83 1wun s ASN 107 Ca 0.81 2.75 -0.26 0.00 -0.71 0.00 0.00 52.86 55.45 1wun s ASN 107 Cb -0.48 -2.64 -0.02 0.00 0.41 0.00 0.00 41.25 38.52 1wun s ASN 107 CO 0.37 -1.28 0.85 -0.76 -1.51 0.00 0.00 177.10 174.77 1wun s LEU 108 N -3.06 4.25 0.95 0.60 1.43 -1.26 -0.70 118.68 120.89 1wun s LEU 108 Ca 0.65 1.31 -0.11 0.00 -1.03 0.00 0.00 54.13 54.95 1wun s LEU 108 Cb -0.40 -3.30 0.16 0.00 0.03 0.00 0.00 46.19 42.68 1wun s LEU 108 CO 0.49 -0.31 1.10 -0.83 0.23 0.00 0.00 176.35 177.03 1wun s GLY 109 N 1.04 1.64 0.15 -3.19 0.00 -1.26 -4.42 107.32 101.27 1wun s GLY 109 Ca 0.42 0.24 -0.31 0.00 0.00 0.00 0.00 44.72 45.06 1wun s GLY 109 CO 0.17 0.73 1.62 1.62 0.00 0.00 0.00 173.10 177.24 1wun s GLN 110 N -4.70 4.20 0.92 2.90 0.74 -1.26 -4.67 119.66 117.78 1wun s GLN 110 Ca 0.66 2.39 -0.12 0.00 0.05 0.00 0.00 55.36 58.34 1wun s GLN 110 Cb -0.21 -3.27 0.14 0.00 1.10 0.00 0.00 33.01 30.77 1wun s GLN 110 CO 0.59 -0.66 1.12 -2.14 -0.55 0.00 0.00 175.29 173.65 1wun s PRO 111 N 1.56 1.09 -0.04 1.67 0.02 -1.26 -4.99 135.00 133.06 1wun s PRO 111 Ca 0.72 0.39 -0.01 0.00 0.02 0.00 0.00 61.00 62.12 1wun s PRO 111 Cb -0.44 -1.83 0.03 0.00 0.02 0.00 0.00 34.50 32.29 1wun s PRO 111 CO 0.32 -2.25 0.04 0.99 -0.33 0.00 0.00 177.00 175.76 1wun s THR 112 N -3.19 0.00 -0.23 0.99 2.01 -1.26 -4.28 115.64 109.68 1wun s THR 112 Ca 0.64 0.28 -0.29 0.00 0.31 0.00 0.00 61.69 62.63 1wun s THR 112 Cb -0.16 -0.19 -0.01 0.00 0.01 0.00 0.00 72.50 72.15 1wun s THR 112 CO 0.54 0.16 1.33 -0.63 -0.69 0.00 0.00 174.62 175.33 1wun s ILE 113 N 1.66 4.13 0.16 1.82 1.01 -1.26 -1.05 121.20 127.68 1wun s ILE 113 Ca -0.01 1.32 0.04 0.00 0.00 0.00 0.00 60.65 61.99 1wun s ILE 113 Cb -0.13 -4.03 -0.15 0.00 0.01 0.00 0.00 42.46 38.16 1wun s ILE 113 CO -0.03 -0.32 1.37 -0.61 0.00 0.00 0.00 174.94 175.36 1wun h GLN 114 N 9.04 0.13 0.00 2.79 4.15 -1.28 -3.45 115.11 126.49 1wun h GLN 114 Ca -0.27 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 58.99 1wun h GLN 114 Cb 1.11 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1wun h GLN 114 CO 1.00 0.93 0.00 -1.13 -1.93 0.00 0.00 178.83 177.71 1wun n SER 115 N -3.60 0.00 -3.61 -0.69 3.41 -1.13 -5.00 113.62 103.01 1wun n SER 115 Ca -0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.55 1wun n SER 115 Cb 0.82 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.71 1wun n SER 115 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1wun s PHE 116 N -2.00 -0.85 -0.02 7.33 -0.12 -1.25 -0.34 117.98 120.73 1wun s PHE 116 Ca 0.00 1.63 0.08 0.00 -0.05 0.00 0.00 56.93 58.59 1wun s PHE 116 Cb 0.00 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.88 1wun s PHE 116 CO 0.00 -0.42 -0.25 -1.83 -0.05 0.00 0.00 175.22 172.67 1wun s GLU 117 N 1.82 2.01 -0.01 1.99 -1.05 -0.95 -4.92 118.70 117.58 1wun s GLU 117 Ca -0.08 -0.90 -0.15 0.00 -0.15 0.00 0.00 54.97 53.69 1wun s GLU 117 Cb -0.06 -1.95 -0.06 0.00 -0.44 0.00 0.00 34.13 31.63 1wun s GLU 117 CO -0.17 0.53 0.40 -1.14 0.95 0.00 0.00 175.26 175.83 1wun s GLN 118 N -0.63 3.95 -0.49 -4.83 0.74 -1.26 -1.41 119.66 115.74 1wun s GLN 118 Ca 0.10 0.40 0.04 0.00 0.05 0.00 0.00 55.36 55.94 1wun s GLN 118 Cb -0.10 -3.24 0.17 0.00 1.10 0.00 0.00 33.01 30.94 1wun s GLN 118 CO -0.01 0.64 0.37 0.08 -0.55 0.00 0.00 175.29 175.83 1wun s VAL 119 N -0.92 1.03 0.00 1.34 1.01 0.70 -5.00 120.40 118.56 1wun s VAL 119 Ca 0.23 -3.04 0.00 0.00 0.00 0.00 0.00 61.98 59.18 1wun s VAL 119 Cb -0.16 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1wun s VAL 119 CO 0.13 -1.16 0.00 0.61 0.00 0.00 0.00 175.10 174.68 1wun n GLY 120 N 2.69 1.81 0.94 4.51 0.00 -1.26 -3.01 105.19 110.86 1wun n GLY 120 Ca 0.26 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1wun n GLY 120 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wun n THR 121 N 0.00 1.75 -4.16 2.61 5.66 -1.26 -4.87 114.28 114.01 1wun n THR 121 Ca 0.00 -1.43 -0.15 0.00 -3.05 0.00 0.00 64.05 59.42 1wun n THR 121 Cb 0.00 0.09 -0.11 0.00 -1.55 0.00 0.00 70.33 68.75 1wun n THR 121 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1wun s LYS 122 N -1.99 0.80 -0.03 1.09 1.02 -1.16 -1.53 119.74 117.94 1wun s LYS 122 Ca 0.37 -1.05 0.04 0.00 0.02 0.00 0.00 55.97 55.35 1wun s LYS 122 Cb 0.26 -0.58 -0.01 0.00 -0.52 0.00 0.00 37.83 36.98 1wun s LYS 122 CO 0.14 0.11 -0.15 0.08 -0.92 0.00 0.00 175.35 174.61 1wun s VAL 123 N -1.97 1.22 -0.36 3.17 1.01 0.06 -0.21 120.40 123.31 1wun s VAL 123 Ca 0.01 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.27 1wun s VAL 123 Cb -0.06 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1wun s VAL 123 CO 0.01 0.35 0.19 0.21 0.00 0.00 0.00 175.10 175.86 1wun s ASN 124 N -0.08 5.68 -0.33 3.32 2.47 -0.50 -1.67 114.94 123.83 1wun s ASN 124 Ca -0.00 -0.95 -0.12 0.00 0.42 0.00 0.00 52.86 52.21 1wun s ASN 124 Cb -0.09 -2.01 -0.02 0.00 -1.45 0.00 0.00 41.25 37.68 1wun s ASN 124 CO 0.01 -0.36 0.22 -0.69 -3.72 0.00 0.00 177.10 172.56 1wun s VAL 125 N 1.55 5.19 -0.16 -5.21 1.01 0.13 -2.25 120.40 120.66 1wun s VAL 125 Ca 0.02 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 1wun s VAL 125 Cb -0.19 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1wun s VAL 125 CO 0.06 0.03 0.11 -0.89 0.00 0.00 0.00 175.10 174.41 1wun s THR 126 N 1.71 5.21 -0.19 3.92 2.01 0.53 0.15 115.64 128.99 1wun s THR 126 Ca 0.06 0.11 -0.07 0.00 0.31 0.00 0.00 61.69 62.10 1wun s THR 126 Cb -0.17 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1wun s THR 126 CO 0.10 0.53 0.05 -0.69 -0.69 0.00 0.00 174.62 173.92 1wun s VAL 127 N -0.27 4.57 0.12 3.82 1.01 0.22 -0.82 120.40 129.05 1wun s VAL 127 Ca 0.10 -0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.66 1wun s VAL 127 Cb -0.12 -3.07 -0.11 0.00 0.00 0.00 0.00 36.38 33.09 1wun s VAL 127 CO 0.01 0.44 1.85 1.21 0.00 0.00 0.00 175.10 178.60 1wun n GLU 128 N 3.84 2.80 -2.10 2.72 2.13 -0.21 -4.78 120.64 125.04 1wun n GLU 128 Ca -0.17 1.02 -0.42 0.00 0.66 0.00 0.00 57.16 58.25 1wun n GLU 128 Cb 0.52 -2.91 0.00 0.00 0.27 0.00 0.00 31.44 29.32 1wun n GLU 128 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1wun n ASP 129 N 5.71 4.45 -4.39 4.31 2.03 -1.26 -4.65 116.55 122.76 1wun n ASP 129 Ca 0.18 -2.94 -0.37 0.00 0.52 0.00 0.00 54.79 52.19 1wun n ASP 129 Cb 0.37 -1.61 0.05 0.00 -0.72 0.00 0.00 41.12 39.21 1wun n ASP 129 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1wun n GLU 130 N 5.74 0.24 -3.18 -0.67 2.13 -1.26 -4.63 120.64 119.01 1wun n GLU 130 Ca 0.47 0.11 -0.28 0.00 0.66 0.00 0.00 57.16 58.12 1wun n GLU 130 Cb 0.39 -1.60 -0.02 0.00 0.27 0.00 0.00 31.44 30.48 1wun n GLU 130 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1wun s ARG 131 N -2.32 3.61 0.54 5.31 1.70 -1.26 -2.05 118.95 124.47 1wun s ARG 131 Ca 0.62 0.03 0.03 0.00 -0.47 0.00 0.00 55.73 55.94 1wun s ARG 131 Cb -0.37 -2.58 0.02 0.00 -0.57 0.00 0.00 34.95 31.45 1wun s ARG 131 CO 0.61 0.11 0.20 0.95 -1.08 0.00 0.00 175.30 176.09 1wun s THR 132 N -2.26 1.31 -1.65 4.99 -4.23 0.40 -4.83 115.64 109.36 1wun s THR 132 Ca 0.45 -1.75 0.29 0.00 -1.18 0.00 0.00 61.69 59.49 1wun s THR 132 Cb -0.10 -2.06 0.48 0.00 1.34 0.00 0.00 72.50 72.15 1wun s THR 132 CO 0.33 0.00 1.89 0.18 -0.54 0.00 0.00 174.62 176.49 1wun n LEU 133 N -1.54 0.42 -4.62 4.79 7.99 -0.99 -4.32 117.00 118.74 1wun n LEU 133 Ca -0.12 0.03 -0.43 0.00 -0.01 0.00 0.00 56.01 55.48 1wun n LEU 133 Cb 0.66 -0.18 -0.02 0.00 -0.11 0.00 0.00 43.42 43.76 1wun n LEU 133 CO 0.38 0.08 1.34 -0.69 -1.51 0.00 0.00 177.39 176.98 1wun s VAL 134 N -2.46 3.77 0.56 4.08 1.01 -1.26 -4.93 120.40 121.16 1wun s VAL 134 Ca 0.30 0.84 -0.12 0.00 0.00 0.00 0.00 61.98 63.00 1wun s VAL 134 Cb 0.20 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1wun s VAL 134 CO 0.47 -0.42 0.97 -0.13 0.00 0.00 0.00 175.10 175.98 1wun s ARG 135 N 4.81 3.71 -0.30 2.72 0.52 -1.26 -0.88 118.95 128.27 1wun s ARG 135 Ca 0.69 0.73 -0.08 0.00 -0.52 0.00 0.00 55.73 56.55 1wun s ARG 135 Cb -0.21 -2.15 0.18 0.00 0.52 0.00 0.00 34.95 33.29 1wun s ARG 135 CO 0.30 -0.40 0.88 0.50 0.02 0.00 0.00 175.30 176.59 1wun s ARG 136 N -4.71 0.33 -1.35 3.54 3.52 0.33 -4.84 118.95 115.78 1wun s ARG 136 Ca 0.55 0.53 -0.07 0.00 -0.13 0.00 0.00 55.73 56.61 1wun s ARG 136 Cb -0.11 0.29 0.02 0.00 -1.56 0.00 0.00 34.95 33.59 1wun s ARG 136 CO 0.45 -0.40 1.10 0.09 -0.81 0.00 0.00 175.30 175.72 1wun n ASN 137 N 5.42 -5.05 -1.07 -2.12 4.13 -1.26 -2.45 115.26 112.86 1wun n ASN 137 Ca -0.02 -0.60 -0.09 0.00 1.68 0.00 0.00 54.58 55.54 1wun n ASN 137 Cb 0.53 -4.86 -0.00 0.00 -1.54 0.00 0.00 39.78 33.91 1wun n ASN 137 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1wun n ASN 138 N -3.02 -3.16 -4.06 6.41 4.05 -1.26 -5.03 115.26 109.19 1wun n ASN 138 Ca -0.06 -0.02 -0.10 0.00 0.45 0.00 0.00 54.58 54.84 1wun n ASN 138 Cb 0.58 -2.40 -0.08 0.00 1.23 0.00 0.00 39.78 39.11 1wun n ASN 138 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1wun s THR 139 N -2.49 0.04 -0.21 -0.44 -4.23 -1.03 -5.15 115.64 102.14 1wun s THR 139 Ca 0.02 -1.63 -0.08 0.00 -1.18 0.00 0.00 61.69 58.82 1wun s THR 139 Cb -0.01 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.68 1wun s THR 139 CO 0.02 -0.19 0.09 -0.36 -0.54 0.00 0.00 174.62 173.64 1wun s PHE 140 N -4.04 3.24 0.37 3.99 0.08 -1.26 -0.51 117.98 119.85 1wun s PHE 140 Ca 0.25 0.04 -0.24 0.00 0.12 0.00 0.00 56.93 57.10 1wun s PHE 140 Cb 0.04 -2.16 -0.10 0.00 -0.57 0.00 0.00 43.02 40.23 1wun s PHE 140 CO 0.05 0.05 0.95 -0.51 -0.10 0.00 0.00 175.22 175.67 1wun s LEU 141 N 0.76 4.17 0.81 -0.37 1.43 -0.06 -4.77 118.68 120.66 1wun s LEU 141 Ca 0.05 1.79 -0.12 0.00 -1.03 0.00 0.00 54.13 54.82 1wun s LEU 141 Cb -0.13 -4.24 0.09 0.00 0.03 0.00 0.00 46.19 41.95 1wun s LEU 141 CO 0.02 -0.22 1.17 -0.94 0.23 0.00 0.00 176.35 176.62 1wun s SER 142 N -1.84 4.36 0.33 2.29 1.04 -1.26 -0.45 113.70 118.17 1wun s SER 142 Ca 0.55 0.66 0.02 0.00 0.48 0.00 0.00 55.95 57.67 1wun s SER 142 Cb -0.15 -1.11 0.58 0.00 0.10 0.00 0.00 66.02 65.44 1wun s SER 142 CO 0.20 -1.97 1.92 0.25 0.98 0.00 0.00 173.24 174.61 1wun h LEU 143 N -1.07 0.63 -0.13 2.42 5.85 -1.67 -2.26 115.31 119.08 1wun h LEU 143 Ca -0.45 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.15 1wun h LEU 143 Cb 1.32 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1wun h LEU 143 CO 0.61 0.59 -0.06 -0.09 -0.34 0.00 0.00 178.44 179.15 1wun h ARG 144 N 0.69 0.27 -0.83 1.25 9.65 -1.91 -0.50 114.38 123.00 1wun h ARG 144 Ca 0.17 -0.11 0.14 0.00 -1.10 0.00 0.00 59.98 59.07 1wun h ARG 144 Cb 0.16 -0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 28.64 1wun h ARG 144 CO -0.01 0.59 0.42 -0.44 2.80 0.00 0.00 179.97 183.34 1wun h ASP 145 N -0.06 0.52 0.09 -3.80 3.32 -1.83 0.54 116.42 115.20 1wun h ASP 145 Ca 0.03 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1wun h ASP 145 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1wun h ASP 145 CO 0.02 0.23 -0.04 0.58 -1.72 0.00 0.00 179.24 178.31 1wun h VAL 146 N 0.63 0.97 0.00 -1.35 2.07 -1.34 -3.38 116.25 113.85 1wun h VAL 146 Ca 0.44 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1wun h VAL 146 Cb 0.60 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1wun h VAL 146 CO -0.35 0.29 -0.54 -0.26 0.02 0.00 0.00 177.57 176.73 1wun h PHE 147 N -0.90 0.00 0.00 1.57 0.04 -1.03 -3.49 116.94 113.12 1wun h PHE 147 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1wun h PHE 147 Cb 0.56 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.71 1wun h PHE 147 CO 0.12 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.24 1wun n GLY 148 N 1.26 3.03 0.17 -1.45 0.00 0.19 -0.51 105.19 107.88 1wun n GLY 148 Ca 0.03 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1wun n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wun h LYS 149 N 0.00 0.00 0.00 1.61 1.57 -1.92 -2.76 116.57 115.07 1wun h LYS 149 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wun h LYS 149 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1wun h LYS 149 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 179.45 178.44 1wun h ASP 150 N 0.00 0.00 -3.09 0.86 3.32 -1.20 -3.43 116.42 112.87 1wun h ASP 150 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1wun h ASP 150 Cb 0.28 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.71 1wun h ASP 150 CO 0.00 0.00 -0.54 -0.22 -1.72 0.00 0.00 179.24 176.76 1wun s LEU 151 N -4.91 4.02 0.12 1.55 2.96 -1.04 -3.91 118.68 117.46 1wun s LEU 151 Ca 0.04 0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.19 1wun s LEU 151 Cb 0.09 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1wun s LEU 151 CO 0.44 0.28 -0.01 0.27 -1.32 0.00 0.00 176.35 176.01 1wun s ILE 152 N -0.27 0.44 -0.03 6.68 -4.36 0.05 -4.72 121.20 118.99 1wun s ILE 152 Ca 0.09 -1.91 0.06 0.00 -0.26 0.00 0.00 60.65 58.63 1wun s ILE 152 Cb -0.12 -1.85 -0.01 0.00 1.25 0.00 0.00 42.46 41.73 1wun s ILE 152 CO 0.01 -0.70 -0.22 -0.31 0.24 0.00 0.00 174.94 173.96 1wun s TYR 153 N -3.80 2.04 -0.03 1.37 2.02 -0.57 -0.97 117.35 117.41 1wun s TYR 153 Ca 0.17 -0.45 0.04 0.00 -0.37 0.00 0.00 57.07 56.45 1wun s TYR 153 Cb 0.07 -1.33 -0.03 0.00 -0.40 0.00 0.00 41.96 40.27 1wun s TYR 153 CO -0.02 -0.08 -0.12 0.95 -1.57 0.00 0.00 175.55 174.71 1wun s THR 154 N -0.38 3.28 -0.07 -0.71 -4.23 -0.87 -1.47 115.64 111.18 1wun s THR 154 Ca 0.05 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.80 1wun s THR 154 Cb -0.10 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 1wun s THR 154 CO 0.00 0.50 -0.07 -0.22 -0.54 0.00 0.00 174.62 174.29 1wun s LEU 155 N -1.03 3.13 -0.41 4.79 2.96 0.18 -1.74 118.68 126.56 1wun s LEU 155 Ca 0.14 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1wun s LEU 155 Cb -0.11 -1.68 0.13 0.00 0.50 0.00 0.00 46.19 45.02 1wun s LEU 155 CO 0.03 0.34 0.20 -0.47 -1.32 0.00 0.00 176.35 175.14 1wun s TYR 156 N -0.70 2.12 0.36 5.38 5.04 0.33 -1.48 117.35 128.40 1wun s TYR 156 Ca 0.11 -2.38 0.01 0.00 -2.44 0.00 0.00 57.07 52.37 1wun s TYR 156 Cb -0.11 -1.99 0.01 0.00 0.35 0.00 0.00 41.96 40.22 1wun s TYR 156 CO 0.02 -0.81 0.09 2.48 -1.34 0.00 0.00 175.55 175.98 1wun n TYR 157 N 3.82 0.27 -3.59 4.97 4.11 -0.47 -3.08 117.16 123.20 1wun n TYR 157 Ca 0.06 -1.68 -0.10 0.00 -0.00 0.00 0.00 57.90 56.18 1wun n TYR 157 Cb 0.36 -0.25 -0.05 0.00 -0.00 0.00 0.00 39.34 39.39 1wun n TYR 157 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.86 178.53 1wun s TRP 158 N -2.13 -0.38 -0.37 -3.48 -2.14 -1.06 -1.97 118.94 107.40 1wun s TRP 158 Ca 0.07 0.71 -0.29 0.00 2.66 0.00 0.00 56.10 59.24 1wun s TRP 158 Cb -0.01 0.44 0.01 0.00 -3.10 0.00 0.00 33.47 30.81 1wun s TRP 158 CO 0.04 -0.33 1.29 0.21 -2.66 0.00 0.00 176.95 175.51 1wun s LYS 159 N -0.91 3.78 0.00 3.25 2.20 -1.26 -2.24 119.74 124.56 1wun s LYS 159 Ca -0.01 1.01 -0.10 0.00 -0.36 0.00 0.00 55.97 56.50 1wun s LYS 159 Cb -0.01 -3.92 -0.13 0.00 -1.51 0.00 0.00 37.83 32.26 1wun s LYS 159 CO 0.01 -1.30 0.85 0.45 -0.36 0.00 0.00 175.35 175.00 1wun n SER 160 N 8.00 -0.11 -1.03 1.43 2.88 0.27 -4.97 113.62 120.09 1wun n SER 160 Ca 0.15 -1.31 0.00 0.00 -1.33 0.00 0.00 58.87 56.38 1wun n SER 160 Cb 0.47 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1wun n SER 160 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wun n GLY 164 N 3.93 -2.00 3.75 0.46 0.00 -1.26 -5.04 105.19 105.04 1wun n GLY 164 Ca 0.16 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 1wun n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wun s LYS 165 N -0.83 2.90 -0.00 1.61 1.02 -1.26 -4.68 119.74 118.50 1wun s LYS 165 Ca 0.00 -0.62 -0.04 0.00 0.02 0.00 0.00 55.97 55.33 1wun s LYS 165 Cb 0.00 -2.75 -0.00 0.00 -0.52 0.00 0.00 37.83 34.56 1wun s LYS 165 CO 0.00 0.60 0.08 0.15 -0.92 0.00 0.00 175.35 175.26 1wun s LYS 166 N -2.01 0.34 0.02 1.68 1.02 -0.83 -5.02 119.74 114.94 1wun s LYS 166 Ca 0.25 -0.34 -0.05 0.00 0.02 0.00 0.00 55.97 55.85 1wun s LYS 166 Cb -0.12 0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 37.32 1wun s LYS 166 CO 0.17 -0.07 0.08 0.95 -0.92 0.00 0.00 175.35 175.56 1wun s THR 167 N -1.07 0.11 0.08 2.17 -4.23 -1.26 -1.37 115.64 110.07 1wun s THR 167 Ca -0.12 -0.90 -0.05 0.00 -1.18 0.00 0.00 61.69 59.44 1wun s THR 167 Cb -0.07 -0.58 -0.02 0.00 1.34 0.00 0.00 72.50 73.18 1wun s THR 167 CO 0.00 -0.50 0.10 0.00 -0.54 0.00 0.00 174.62 173.69 1wun s ALA 168 N -1.88 0.13 0.02 3.99 0.00 -0.55 -4.93 121.76 118.54 1wun s ALA 168 Ca -0.11 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 50.96 1wun s ALA 168 Cb -0.06 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 1wun s ALA 168 CO -0.01 -0.46 -0.05 0.15 0.00 0.00 0.00 175.76 175.38 1wun s LYS 169 N -3.90 0.39 0.00 0.00 1.02 -1.26 0.47 119.74 116.46 1wun s LYS 169 Ca 0.07 -0.49 -0.06 0.00 0.02 0.00 0.00 55.97 55.51 1wun s LYS 169 Cb 0.06 -0.20 -0.00 0.00 -0.52 0.00 0.00 37.83 37.17 1wun s LYS 169 CO -0.09 0.04 0.11 -0.08 -0.92 0.00 0.00 175.35 174.41 1wun s THR 170 N -0.92 0.09 -2.28 2.17 -1.32 -0.54 -5.00 115.64 107.83 1wun s THR 170 Ca -0.07 -0.71 0.23 0.00 -1.21 0.00 0.00 61.69 59.93 1wun s THR 170 Cb -0.07 -0.40 0.51 0.00 -1.51 0.00 0.00 72.50 71.03 1wun s THR 170 CO -0.00 -0.39 1.46 -0.46 -2.21 0.00 0.00 174.62 173.02 1wun n ASN 171 N 1.51 3.52 0.00 8.08 6.94 -1.26 -1.52 115.26 132.53 1wun n ASN 171 Ca -0.23 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 52.35 1wun n ASN 171 Cb 0.56 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 1wun n ASN 171 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1wun n THR 172 N 1.48 0.00 -1.14 5.53 -2.24 -1.26 -4.84 114.28 111.80 1wun n THR 172 Ca 0.21 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.02 1wun n THR 172 Cb 0.59 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 69.06 1wun n THR 172 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1wun n ASN 173 N 0.00 3.52 -3.84 3.42 4.13 -1.26 -4.42 115.26 116.82 1wun n ASN 173 Ca 0.00 -3.28 -0.12 0.00 1.68 0.00 0.00 54.58 52.86 1wun n ASN 173 Cb 0.00 -0.60 -0.11 0.00 -1.54 0.00 0.00 39.78 37.54 1wun n ASN 173 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1wun s GLU 174 N -2.98 0.37 -0.09 3.52 2.02 -1.26 0.72 118.70 120.99 1wun s GLU 174 Ca 0.44 -0.08 0.03 0.00 0.02 0.00 0.00 54.97 55.38 1wun s GLU 174 Cb 0.37 0.16 -0.01 0.00 0.10 0.00 0.00 34.13 34.75 1wun s GLU 174 CO 0.06 -0.08 -0.18 -0.06 0.02 0.00 0.00 175.26 175.02 1wun s PHE 175 N -0.68 2.65 -0.33 1.61 0.08 0.12 -4.78 117.98 116.65 1wun s PHE 175 Ca -0.08 -0.65 0.01 0.00 0.12 0.00 0.00 56.93 56.33 1wun s PHE 175 Cb -0.04 -1.72 0.08 0.00 -0.57 0.00 0.00 43.02 40.77 1wun s PHE 175 CO 0.01 -0.18 0.04 -1.17 -0.10 0.00 0.00 175.22 173.82 1wun s LEU 176 N 0.02 4.38 0.33 -0.37 1.98 -1.26 0.17 118.68 123.93 1wun s LEU 176 Ca -0.07 -1.76 0.07 0.00 -2.89 0.00 0.00 54.13 49.49 1wun s LEU 176 Cb -0.15 -1.67 -0.06 0.00 0.66 0.00 0.00 46.19 44.96 1wun s LEU 176 CO 0.05 -0.35 -0.05 0.27 -1.89 0.00 0.00 176.35 174.38 1wun s ILE 177 N 1.08 1.86 0.17 6.68 -4.36 -0.67 -4.95 121.20 121.00 1wun s ILE 177 Ca 0.02 -2.12 -0.13 0.00 -0.26 0.00 0.00 60.65 58.16 1wun s ILE 177 Cb -0.20 -2.64 -0.07 0.00 1.25 0.00 0.00 42.46 40.80 1wun s ILE 177 CO -0.05 -0.19 0.54 -1.81 0.24 0.00 0.00 174.94 173.68 1wun s ASP 178 N -3.55 6.76 0.02 4.36 1.01 -1.26 -0.76 116.67 123.26 1wun s ASP 178 Ca 0.32 1.02 -0.07 0.00 0.71 0.00 0.00 52.55 54.54 1wun s ASP 178 Cb 0.05 -2.27 -0.00 0.00 1.01 0.00 0.00 42.92 41.71 1wun s ASP 178 CO 0.15 0.05 0.13 0.68 0.21 0.00 0.00 175.17 176.39 1wun s VAL 179 N -1.57 0.11 -0.06 -1.27 -7.23 -0.58 -4.89 120.40 104.90 1wun s VAL 179 Ca 0.40 -0.89 -0.30 0.00 -1.81 0.00 0.00 61.98 59.39 1wun s VAL 179 Cb -0.14 -0.68 -0.02 0.00 0.56 0.00 0.00 36.38 36.10 1wun s VAL 179 CO 0.20 -0.49 1.06 -1.81 -0.31 0.00 0.00 175.10 173.75 1wun s ASP 180 N -1.78 7.21 0.30 4.85 -0.00 -1.26 -4.69 116.67 121.30 1wun s ASP 180 Ca -0.10 1.65 -0.30 0.00 -0.00 0.00 0.00 52.55 53.81 1wun s ASP 180 Cb -0.04 -2.56 -0.12 0.00 -0.00 0.00 0.00 42.92 40.20 1wun s ASP 180 CO -0.02 -0.45 1.59 1.17 -0.00 0.00 0.00 175.17 177.47 1wun n LYS 181 N 4.79 2.72 0.00 8.23 0.00 -1.26 -2.64 118.16 130.01 1wun n LYS 181 Ca 0.09 0.97 0.00 0.00 0.00 0.00 0.00 58.31 59.36 1wun n LYS 181 Cb 0.48 -2.75 0.00 0.00 0.00 0.00 0.00 35.03 32.76 1wun n LYS 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wun n GLY 182 N 1.99 2.62 3.72 3.14 0.00 -1.26 -5.02 105.19 110.38 1wun n GLY 182 Ca 0.08 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 1wun n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wun s GLU 183 N 0.00 1.76 0.02 1.61 0.41 -1.08 -5.05 118.70 116.37 1wun s GLU 183 Ca 0.00 1.42 0.06 0.00 -0.41 0.00 0.00 54.97 56.04 1wun s GLU 183 Cb 0.00 -1.82 -0.03 0.00 -1.78 0.00 0.00 34.13 30.50 1wun s GLU 183 CO 0.00 -2.06 -0.16 -0.80 -0.49 0.00 0.00 175.26 171.76 1wun s ASN 184 N -2.86 3.97 0.25 -0.19 -0.87 -1.26 -4.86 114.94 109.11 1wun s ASN 184 Ca 0.66 -0.34 0.12 0.00 -1.57 0.00 0.00 52.86 51.72 1wun s ASN 184 Cb -0.21 -0.73 -0.05 0.00 -0.02 0.00 0.00 41.25 40.24 1wun s ASN 184 CO 0.54 0.28 -0.21 -0.31 -2.57 0.00 0.00 177.10 174.83 1wun s TYR 185 N -0.90 2.27 0.03 2.20 1.51 -1.26 0.97 117.35 122.18 1wun s TYR 185 Ca 0.14 -0.35 0.08 0.00 -1.01 0.00 0.00 57.07 55.94 1wun s TYR 185 Cb -0.11 -1.03 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 1wun s TYR 185 CO 0.05 0.64 -0.25 0.00 -1.11 0.00 0.00 175.55 174.88 1wun s PHE 187 N -0.76 1.49 -0.22 0.00 0.08 0.24 -2.55 117.98 116.26 1wun s PHE 187 Ca 0.10 -0.56 -0.19 0.00 0.12 0.00 0.00 56.93 56.39 1wun s PHE 187 Cb -0.10 -0.76 0.06 0.00 -0.57 0.00 0.00 43.02 41.65 1wun s PHE 187 CO 0.01 0.19 0.57 0.45 -0.10 0.00 0.00 175.22 176.35 1wun s SER 188 N -2.66 -0.61 0.25 1.36 0.15 -1.18 -1.64 113.70 109.38 1wun s SER 188 Ca 0.12 1.16 0.05 0.00 0.70 0.00 0.00 55.95 57.98 1wun s SER 188 Cb -0.04 1.16 -0.05 0.00 -1.71 0.00 0.00 66.02 65.38 1wun s SER 188 CO 0.04 -0.20 -0.04 0.68 1.20 0.00 0.00 173.24 174.92 1wun s VAL 189 N 0.40 1.33 0.01 4.45 -7.23 -1.26 -0.51 120.40 117.59 1wun s VAL 189 Ca -0.01 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 1wun s VAL 189 Cb -0.04 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.52 1wun s VAL 189 CO -0.01 -0.34 -0.03 -1.10 -0.31 0.00 0.00 175.10 173.32 1wun s GLN 190 N -3.79 0.24 0.06 4.82 -0.21 -0.71 -1.30 119.66 118.77 1wun s GLN 190 Ca 0.28 -0.40 -0.19 0.00 0.02 0.00 0.00 55.36 55.07 1wun s GLN 190 Cb 0.05 -0.01 -0.07 0.00 1.00 0.00 0.00 33.01 33.98 1wun s GLN 190 CO 0.10 -0.01 0.55 0.00 -2.12 0.00 0.00 175.29 173.81 1wun s ALA 191 N -0.88 3.60 -0.07 6.09 0.00 -1.26 -2.05 121.76 127.19 1wun s ALA 191 Ca -0.09 0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.82 1wun s ALA 191 Cb -0.06 -2.61 0.02 0.00 0.00 0.00 0.00 23.12 20.46 1wun s ALA 191 CO -0.00 0.40 0.18 0.08 0.00 0.00 0.00 175.76 176.41 1wun s VAL 192 N -1.08 -0.00 -0.52 0.00 1.01 -0.15 -1.59 120.40 118.07 1wun s VAL 192 Ca 0.28 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.30 1wun s VAL 192 Cb -0.19 -0.25 0.13 0.00 0.00 0.00 0.00 36.38 36.07 1wun s VAL 192 CO 0.18 0.00 0.27 -0.63 0.00 0.00 0.00 175.10 174.92 1wun s ILE 193 N 0.10 2.50 0.27 2.22 -1.09 -0.77 -0.77 121.20 123.64 1wun s ILE 193 Ca -0.00 -3.31 -0.10 0.00 -2.23 0.00 0.00 60.65 55.01 1wun s ILE 193 Cb -0.01 -2.73 0.40 0.00 -1.58 0.00 0.00 42.46 38.54 1wun s ILE 193 CO 0.00 -0.82 1.56 -0.65 -1.23 0.00 0.00 174.94 173.80 1wun h PRO 194 N 6.46 -0.00 -0.25 2.79 0.11 -1.84 -0.98 132.00 138.29 1wun h PRO 194 Ca -0.06 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.06 1wun h PRO 194 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1wun h PRO 194 CO 0.67 -0.00 0.17 0.66 -0.21 0.00 0.00 178.00 179.29 1wun h SER 195 N -0.00 0.24 -3.21 -2.05 4.64 -1.95 -3.44 113.55 107.77 1wun h SER 195 Ca 0.44 -0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.21 1wun h SER 195 Cb 0.69 -0.06 0.21 0.00 -0.31 0.00 0.00 62.40 62.93 1wun h SER 195 CO -1.00 0.17 -0.63 0.54 -0.87 0.00 0.00 176.83 175.04 1wun n ARG 196 N -4.50 -0.06 -0.07 4.77 1.74 -0.38 -4.96 116.66 113.20 1wun n ARG 196 Ca 0.01 0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 56.99 1wun n ARG 196 Cb 0.12 -1.77 -0.06 0.00 -1.02 0.00 0.00 32.46 29.73 1wun n ARG 196 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wun n THR 197 N -3.07 0.82 -4.30 0.55 -2.24 -1.26 -4.86 114.28 99.92 1wun n THR 197 Ca 0.07 -0.26 -0.26 0.00 -2.27 0.00 0.00 64.05 61.33 1wun n THR 197 Cb 0.52 -1.34 -0.09 0.00 -2.10 0.00 0.00 70.33 67.32 1wun n THR 197 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1wun s VAL 198 N -2.28 3.25 -1.49 2.28 -7.23 -1.26 -4.66 120.40 109.01 1wun s VAL 198 Ca -0.20 -1.76 -0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1wun s VAL 198 Cb 0.06 -2.65 0.02 0.00 0.56 0.00 0.00 36.38 34.37 1wun s VAL 198 CO 0.30 -0.20 0.30 0.59 -0.31 0.00 0.00 175.10 175.77 1wun n ASN 199 N -0.26 -0.10 0.14 4.85 3.02 -1.26 -4.84 115.26 116.80 1wun n ASN 199 Ca -0.09 -1.11 0.01 0.00 -0.03 0.00 0.00 54.58 53.35 1wun n ASN 199 Cb 0.57 -2.46 0.15 0.00 -0.61 0.00 0.00 39.78 37.43 1wun n ASN 199 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 1wun h ARG 200 N -1.77 0.00 -5.88 3.52 0.11 -1.87 -3.44 114.38 105.06 1wun h ARG 200 Ca -0.64 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 58.94 1wun h ARG 200 Cb 1.39 0.00 -0.20 0.00 1.11 0.00 0.00 29.97 32.27 1wun h ARG 200 CO 0.67 0.58 -0.80 0.15 0.10 0.00 0.00 179.97 180.68 1wun s LYS 201 N -3.32 1.12 0.60 0.08 1.02 -1.26 -1.85 119.74 116.12 1wun s LYS 201 Ca 0.01 -1.22 -0.01 0.00 0.02 0.00 0.00 55.97 54.76 1wun s LYS 201 Cb 0.11 -1.23 0.04 0.00 -0.52 0.00 0.00 37.83 36.23 1wun s LYS 201 CO 0.74 0.27 0.85 -1.54 -0.92 0.00 0.00 175.35 174.75 1wun s SER 202 N -2.20 5.12 0.82 2.83 1.04 -0.62 -4.74 113.70 115.94 1wun s SER 202 Ca 0.09 0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.52 1wun s SER 202 Cb -0.08 -0.93 0.08 0.00 0.10 0.00 0.00 66.02 65.20 1wun s SER 202 CO 0.05 -1.29 1.09 0.42 0.98 0.00 0.00 173.24 174.48 1wun s THR 203 N -2.91 3.04 0.38 2.02 -4.23 -1.26 -4.66 115.64 108.02 1wun s THR 203 Ca 0.58 0.34 -0.26 0.00 -1.18 0.00 0.00 61.69 61.17 1wun s THR 203 Cb -0.10 -2.98 -0.09 0.00 1.34 0.00 0.00 72.50 70.67 1wun s THR 203 CO 0.40 -0.44 1.22 -1.81 -0.54 0.00 0.00 174.62 173.45 1wun s ASP 204 N -3.70 6.56 1.00 3.99 1.01 -1.26 -4.35 116.67 119.92 1wun s ASP 204 Ca 0.61 2.48 -0.14 0.00 0.71 0.00 0.00 52.55 56.22 1wun s ASP 204 Cb -0.16 -2.63 0.19 0.00 1.01 0.00 0.00 42.92 41.33 1wun s ASP 204 CO 0.55 -0.66 1.14 -0.94 0.21 0.00 0.00 175.17 175.47 1wun s SER 205 N -0.90 2.69 0.62 0.27 1.04 -0.42 -4.80 113.70 112.20 1wun s SER 205 Ca 0.55 0.89 -0.17 0.00 0.48 0.00 0.00 55.95 57.70 1wun s SER 205 Cb -0.34 -1.39 -0.02 0.00 0.10 0.00 0.00 66.02 64.37 1wun s SER 205 CO 0.44 -3.06 1.17 -2.84 0.98 0.00 0.00 173.24 169.93 1wun s PRO 206 N -5.27 2.87 0.15 4.02 0.02 -1.26 -4.71 135.00 130.82 1wun s PRO 206 Ca 0.67 1.68 -0.29 0.00 0.02 0.00 0.00 61.00 63.08 1wun s PRO 206 Cb -0.14 -1.93 -0.07 0.00 0.02 0.00 0.00 34.50 32.38 1wun s PRO 206 CO 0.55 -1.25 0.90 0.08 -0.33 0.00 0.00 177.00 176.95 1wun s VAL 207 N -1.85 4.38 -0.00 3.83 1.01 -1.26 -4.70 120.40 121.81 1wun s VAL 207 Ca 0.74 1.97 0.05 0.00 0.00 0.00 0.00 61.98 64.74 1wun s VAL 207 Cb -0.27 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 1wun s VAL 207 CO 0.36 0.41 -0.15 -1.61 0.00 0.00 0.00 175.10 174.10 1wun s GLU 208 N -0.52 1.19 0.08 2.72 0.41 -0.65 -4.95 118.70 116.98 1wun s GLU 208 Ca 0.43 -0.60 0.06 0.00 -0.41 0.00 0.00 54.97 54.45 1wun s GLU 208 Cb -0.24 -1.16 -0.03 0.00 -1.78 0.00 0.00 34.13 30.92 1wun s GLU 208 CO 0.29 0.31 -0.17 0.00 -0.49 0.00 0.00 175.26 175.21