#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w90 s ALA 5 N 0.00 3.08 -0.21 7.54 0.00 -1.26 -5.01 121.76 125.90 1w90 s ALA 5 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 51.96 51.81 1w90 s ALA 5 Cb 0.00 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 1w90 s ALA 5 CO 0.00 -0.64 0.14 0.99 0.00 0.00 0.00 175.76 176.26 1w90 s THR 6 N -3.09 5.39 -0.09 0.00 2.01 -1.26 -4.94 115.64 113.65 1w90 s THR 6 Ca 0.56 0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.77 1w90 s THR 6 Cb -0.11 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 1w90 s THR 6 CO 0.51 0.41 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.43 1w90 s TYR 7 N 0.57 2.83 -0.22 4.92 1.51 -1.26 -1.62 117.35 124.09 1w90 s TYR 7 Ca 0.08 -0.28 -0.01 0.00 -1.01 0.00 0.00 57.07 55.86 1w90 s TYR 7 Cb -0.12 -1.75 0.06 0.00 -0.11 0.00 0.00 41.96 40.04 1w90 s TYR 7 CO 0.00 0.07 -0.02 0.99 -1.11 0.00 0.00 175.55 175.48 1w90 s THR 8 N -0.29 1.16 -0.22 -0.71 2.01 -0.21 -5.00 115.64 112.38 1w90 s THR 8 Ca 0.03 -0.95 -0.29 0.00 0.31 0.00 0.00 61.69 60.79 1w90 s THR 8 Cb -0.13 -1.50 0.00 0.00 0.01 0.00 0.00 72.50 70.89 1w90 s THR 8 CO 0.03 -0.12 1.12 -0.69 -0.69 0.00 0.00 174.62 174.26 1w90 s VAL 9 N 1.57 4.53 -0.14 3.82 1.01 -1.26 -1.17 120.40 128.76 1w90 s VAL 9 Ca -0.04 1.84 -0.18 0.00 0.00 0.00 0.00 61.98 63.61 1w90 s VAL 9 Cb -0.18 -4.22 -0.16 0.00 0.00 0.00 0.00 36.38 31.82 1w90 s VAL 9 CO -0.07 -0.20 0.41 0.40 0.00 0.00 0.00 175.10 175.64 1w90 h ILE 10 N 5.50 1.04 -2.81 2.22 2.04 -0.78 -3.48 117.51 121.24 1w90 h ILE 10 Ca -0.21 -1.84 -0.09 0.00 1.00 0.00 0.00 64.86 63.72 1w90 h ILE 10 Cb 1.07 2.02 -0.19 0.00 -0.74 0.00 0.00 36.82 38.99 1w90 h ILE 10 CO 0.98 0.35 -0.11 0.72 0.00 0.00 0.00 178.15 180.09 1w90 s PHE 11 N -2.04 -0.31 0.00 1.37 -0.71 -1.02 -4.63 117.98 110.63 1w90 s PHE 11 Ca -0.14 0.44 0.00 0.00 -1.04 0.00 0.00 56.93 56.19 1w90 s PHE 11 Cb -0.01 0.21 0.00 0.00 -1.21 0.00 0.00 43.02 42.01 1w90 s PHE 11 CO 0.44 -0.50 0.00 1.63 -1.34 0.00 0.00 175.22 175.45 1w90 n LYS 12 N 0.92 0.00 -4.06 1.99 5.02 -1.26 -0.69 118.16 120.08 1w90 n LYS 12 Ca -0.20 0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 55.77 1w90 n LYS 12 Cb 0.58 -0.12 -0.06 0.00 -0.02 0.00 0.00 35.03 35.40 1w90 n LYS 12 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1w90 s ASN 13 N -1.26 5.76 -0.03 4.39 0.01 -1.26 -1.20 114.94 121.36 1w90 s ASN 13 Ca 0.00 0.14 0.05 0.00 -0.71 0.00 0.00 52.86 52.34 1w90 s ASN 13 Cb 0.00 -1.66 -0.01 0.00 0.41 0.00 0.00 41.25 39.99 1w90 s ASN 13 CO 0.00 0.24 -0.17 0.00 -1.51 0.00 0.00 177.10 175.66 1w90 s ALA 14 N -1.27 1.49 0.00 0.60 0.00 -0.17 -4.98 121.76 117.42 1w90 s ALA 14 Ca 0.25 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1w90 s ALA 14 Cb -0.12 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.55 1w90 s ALA 14 CO 0.17 0.31 0.88 -1.13 0.00 0.00 0.00 175.76 175.99 1w90 n SER 15 N 2.94 1.64 -0.97 0.00 3.41 -1.26 -4.14 113.62 115.24 1w90 n SER 15 Ca -0.17 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 1w90 n SER 15 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1w90 n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1w90 n GLY 16 N -0.39 0.81 3.75 5.00 0.00 -1.26 -4.90 105.19 108.20 1w90 n GLY 16 Ca 0.00 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 1w90 n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w90 s LEU 17 N 0.00 3.86 0.64 0.99 1.43 -1.26 -4.94 118.68 119.39 1w90 s LEU 17 Ca 0.00 2.69 -0.18 0.00 -1.03 0.00 0.00 54.13 55.61 1w90 s LEU 17 Cb 0.00 -4.29 -0.01 0.00 0.03 0.00 0.00 46.19 41.92 1w90 s LEU 17 CO 0.00 -1.50 1.27 -2.84 0.23 0.00 0.00 176.35 173.51 1w90 s PRO 18 N -2.90 2.63 0.29 1.29 0.02 -1.26 -4.91 135.00 130.16 1w90 s PRO 18 Ca 0.71 1.98 -0.30 0.00 0.02 0.00 0.00 61.00 63.41 1w90 s PRO 18 Cb -0.38 -1.87 -0.12 0.00 0.02 0.00 0.00 34.50 32.15 1w90 s PRO 18 CO 0.45 -1.51 1.51 0.09 -0.33 0.00 0.00 177.00 177.21 1w90 n ASN 19 N -1.88 3.44 0.00 2.53 3.02 -1.26 -1.55 115.26 119.56 1w90 n ASN 19 Ca 0.15 1.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.86 1w90 n ASN 19 Cb 0.49 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 1w90 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1w90 n GLY 20 N 1.95 0.67 3.49 7.41 0.00 -1.26 -5.03 105.19 112.43 1w90 n GLY 20 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1w90 n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1w90 s TYR 21 N -2.95 2.62 0.52 1.61 1.51 -0.59 -0.34 117.35 119.73 1w90 s TYR 21 Ca 0.00 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 1w90 s TYR 21 Cb 0.00 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.38 1w90 s TYR 21 CO 0.00 0.30 0.10 0.34 -1.11 0.00 0.00 175.55 175.17 1w90 s ASP 22 N -1.57 4.25 -0.17 2.29 -1.08 0.11 -4.58 116.67 115.91 1w90 s ASP 22 Ca 0.16 -1.57 0.01 0.00 -0.52 0.00 0.00 52.55 50.63 1w90 s ASP 22 Cb -0.11 0.52 0.02 0.00 -1.46 0.00 0.00 42.92 41.89 1w90 s ASP 22 CO 0.07 -0.92 -0.19 0.21 0.52 0.00 0.00 175.17 174.85 1w90 s ASN 23 N -3.98 3.20 -0.18 -0.34 2.47 -1.26 -0.68 114.94 114.17 1w90 s ASN 23 Ca 0.12 -0.63 0.16 0.00 0.42 0.00 0.00 52.86 52.93 1w90 s ASN 23 Cb 0.01 -1.49 0.46 0.00 -1.45 0.00 0.00 41.25 38.77 1w90 s ASN 23 CO 0.07 0.01 1.35 0.79 -3.72 0.00 0.00 177.10 175.60 1w90 n TRP 24 N 4.52 0.68 -0.31 0.43 7.02 -0.01 -4.93 117.44 124.85 1w90 n TRP 24 Ca -0.21 -1.03 0.00 0.00 -1.02 0.00 0.00 57.50 55.24 1w90 n TRP 24 Cb 0.50 -0.29 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 1w90 n TRP 24 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1w90 n GLY 25 N -0.87 -0.29 3.41 6.99 0.00 -1.26 -4.78 105.19 108.39 1w90 n GLY 25 Ca 0.22 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 1w90 n GLY 25 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1w90 s TRP 26 N 0.32 -0.48 -1.10 1.61 -2.14 -0.34 -4.93 118.94 111.88 1w90 s TRP 26 Ca 0.00 0.44 0.00 0.00 2.66 0.00 0.00 56.10 59.20 1w90 s TRP 26 Cb 0.00 0.44 0.00 0.00 -3.10 0.00 0.00 33.47 30.81 1w90 s TRP 26 CO 0.00 -0.73 0.00 0.41 -2.66 0.00 0.00 176.95 173.97 1w90 n GLY 27 N 0.06 0.83 3.19 3.67 0.00 -1.26 -0.97 105.19 110.72 1w90 n GLY 27 Ca -0.18 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 1w90 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w90 s THR 29 N -4.06 0.47 -0.04 0.00 2.01 -0.83 -4.97 115.64 108.22 1w90 s THR 29 Ca 0.27 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.52 1w90 s THR 29 Cb 0.07 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 1w90 s THR 29 CO 0.04 -0.24 -0.23 -0.76 -0.69 0.00 0.00 174.62 172.75 1w90 s LEU 30 N -1.13 2.24 0.22 4.42 1.43 -1.26 -0.10 118.68 124.50 1w90 s LEU 30 Ca -0.07 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1w90 s LEU 30 Cb -0.08 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 1w90 s LEU 30 CO 0.00 0.31 0.14 -0.94 0.23 0.00 0.00 176.35 176.09 1w90 s SER 31 N -0.53 0.35 -0.01 2.29 1.04 -0.38 -5.00 113.70 111.46 1w90 s SER 31 Ca 0.07 -1.43 0.00 0.00 0.48 0.00 0.00 55.95 55.08 1w90 s SER 31 Cb -0.11 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.41 1w90 s SER 31 CO 0.00 -0.86 0.01 -0.31 0.98 0.00 0.00 173.24 173.07 1w90 s TYR 32 N -4.07 0.03 -0.14 5.02 1.51 -1.26 -0.45 117.35 117.98 1w90 s TYR 32 Ca 0.39 0.06 -0.29 0.00 -1.01 0.00 0.00 57.07 56.22 1w90 s TYR 32 Cb 0.07 -0.13 0.08 0.00 -0.11 0.00 0.00 41.96 41.87 1w90 s TYR 32 CO 0.14 -0.04 0.77 -0.47 -1.11 0.00 0.00 175.55 174.83 1w90 s TYR 33 N 0.51 -0.63 -1.71 2.71 5.04 -1.07 -4.91 117.35 117.28 1w90 s TYR 33 Ca -0.04 1.26 0.00 0.00 -2.44 0.00 0.00 57.07 55.85 1w90 s TYR 33 Cb -0.06 0.38 0.00 0.00 0.35 0.00 0.00 41.96 42.62 1w90 s TYR 33 CO -0.01 -0.48 0.00 0.41 -1.34 0.00 0.00 175.55 174.13 1w90 n GLY 34 N 1.45 1.54 2.20 8.97 0.00 -1.26 -0.32 105.19 117.76 1w90 n GLY 34 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1w90 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w90 n GLY 35 N -0.11 0.83 3.84 -0.02 0.00 -1.26 -4.98 105.19 103.49 1w90 n GLY 35 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1w90 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w90 s ALA 36 N -3.21 3.64 -0.22 4.61 0.00 0.56 -1.00 121.76 126.13 1w90 s ALA 36 Ca 0.00 -0.17 -0.26 0.00 0.00 0.00 0.00 51.96 51.53 1w90 s ALA 36 Cb 0.00 -2.46 -0.00 0.00 0.00 0.00 0.00 23.12 20.66 1w90 s ALA 36 CO 0.00 0.47 0.91 1.41 0.00 0.00 0.00 175.76 178.55 1w90 s MET 37 N -1.53 4.24 -0.27 0.00 1.75 -0.50 -2.61 119.30 120.38 1w90 s MET 37 Ca 0.31 1.12 -0.04 0.00 -1.25 0.00 0.00 55.69 55.84 1w90 s MET 37 Cb -0.16 -3.63 0.02 0.00 2.84 0.00 0.00 34.83 33.90 1w90 s MET 37 CO 0.17 -0.52 0.00 0.42 -0.65 0.00 0.00 175.02 174.44 1w90 s ILE 38 N 2.83 3.33 -0.20 10.11 1.01 0.40 -1.17 121.20 137.51 1w90 s ILE 38 Ca 0.39 -0.90 -0.17 0.00 0.00 0.00 0.00 60.65 59.97 1w90 s ILE 38 Cb -0.16 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 1w90 s ILE 38 CO 0.08 0.14 0.46 -0.63 0.00 0.00 0.00 174.94 174.98 1w90 s ILE 39 N 1.39 5.15 -0.82 2.92 1.01 -0.00 -1.26 121.20 129.60 1w90 s ILE 39 Ca 0.01 0.83 -0.03 0.00 0.00 0.00 0.00 60.65 61.45 1w90 s ILE 39 Cb -0.17 -3.78 0.21 0.00 0.01 0.00 0.00 42.46 38.72 1w90 s ILE 39 CO -0.01 0.21 0.69 0.20 0.00 0.00 0.00 174.94 176.03 1w90 s ASN 40 N 1.12 5.87 0.42 3.58 -0.87 0.86 -2.44 114.94 123.48 1w90 s ASN 40 Ca 0.21 -3.40 -0.26 0.00 -1.57 0.00 0.00 52.86 47.84 1w90 s ASN 40 Cb -0.15 -1.92 -0.08 0.00 -0.02 0.00 0.00 41.25 39.07 1w90 s ASN 40 CO 0.09 -0.26 1.31 -2.84 -2.57 0.00 0.00 177.10 172.82 1w90 s PRO 41 N -0.88 3.91 0.15 -0.60 0.02 -1.26 -1.97 135.00 134.36 1w90 s PRO 41 Ca 0.24 2.17 -0.19 0.00 0.02 0.00 0.00 61.00 63.24 1w90 s PRO 41 Cb -0.11 -2.72 -0.07 0.00 0.02 0.00 0.00 34.50 31.62 1w90 s PRO 41 CO -0.09 -0.55 0.63 -0.65 -0.33 0.00 0.00 177.00 176.01 1w90 s GLN 42 N -2.30 4.20 0.25 5.54 -0.21 0.11 -4.27 119.66 122.97 1w90 s GLN 42 Ca 0.58 0.76 -0.31 0.00 0.02 0.00 0.00 55.36 56.41 1w90 s GLN 42 Cb -0.38 -3.05 -0.11 0.00 1.00 0.00 0.00 33.01 30.47 1w90 s GLN 42 CO 0.49 0.51 1.57 -1.21 -2.12 0.00 0.00 175.29 174.54 1w90 s GLU 43 N -1.60 4.17 0.00 2.91 2.02 -1.26 -2.32 118.70 122.61 1w90 s GLU 43 Ca 0.36 2.48 0.00 0.00 0.02 0.00 0.00 54.97 57.84 1w90 s GLU 43 Cb -0.18 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1w90 s GLU 43 CO 0.20 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.30 1w90 n GLY 44 N 2.70 2.03 0.01 -1.39 0.00 0.57 -4.89 105.19 104.21 1w90 n GLY 44 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1w90 n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1w90 n LYS 45 N -2.00 0.06 -4.17 1.61 4.76 -0.98 -4.96 118.16 112.47 1w90 n LYS 45 Ca 0.00 -0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.12 1w90 n LYS 45 Cb 0.00 -1.51 -0.05 0.00 -1.84 0.00 0.00 35.03 31.63 1w90 n LYS 45 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1w90 n TYR 46 N -1.58 -1.53 -1.80 2.13 4.02 -1.26 -4.85 117.16 112.29 1w90 n TYR 46 Ca 0.04 0.72 -0.36 0.00 -0.01 0.00 0.00 57.90 58.29 1w90 n TYR 46 Cb 0.35 -3.12 0.06 0.00 -0.02 0.00 0.00 39.34 36.61 1w90 n TYR 46 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1w90 s GLY 47 N -4.00 2.66 0.01 2.72 0.00 -1.26 -4.50 107.32 102.95 1w90 s GLY 47 Ca 0.27 1.02 0.01 0.00 0.00 0.00 0.00 44.72 46.02 1w90 s GLY 47 CO 0.94 1.42 -0.04 0.00 0.00 0.00 0.00 173.10 175.43 1w90 s ALA 48 N -1.65 0.30 -0.17 3.20 0.00 -0.14 -1.14 121.76 122.16 1w90 s ALA 48 Ca 0.78 -0.29 -0.14 0.00 0.00 0.00 0.00 51.96 52.32 1w90 s ALA 48 Cb -0.32 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 1w90 s ALA 48 CO 0.38 0.03 0.28 0.08 0.00 0.00 0.00 175.76 176.53 1w90 s VAL 49 N -0.43 5.31 -0.33 0.00 1.01 -0.73 -1.20 120.40 124.03 1w90 s VAL 49 Ca -0.02 0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.49 1w90 s VAL 49 Cb -0.04 -3.62 0.10 0.00 0.00 0.00 0.00 36.38 32.82 1w90 s VAL 49 CO -0.00 0.38 0.08 -0.55 0.00 0.00 0.00 175.10 175.01 1w90 s SER 50 N 0.53 4.34 -0.15 3.32 0.15 -1.26 -1.13 113.70 119.50 1w90 s SER 50 Ca 0.16 -1.90 -0.29 0.00 0.70 0.00 0.00 55.95 54.61 1w90 s SER 50 Cb -0.13 -1.21 -0.02 0.00 -1.71 0.00 0.00 66.02 62.96 1w90 s SER 50 CO 0.04 -0.39 1.32 -0.76 1.20 0.00 0.00 173.24 174.64 1w90 s LEU 51 N 1.26 4.19 -0.22 3.45 1.43 0.16 -0.83 118.68 128.12 1w90 s LEU 51 Ca 0.11 1.76 -0.03 0.00 -1.03 0.00 0.00 54.13 54.93 1w90 s LEU 51 Cb -0.18 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.50 1w90 s LEU 51 CO -0.17 -0.80 -0.05 -0.75 0.23 0.00 0.00 176.35 174.81 1w90 s LYS 52 N 3.60 3.26 -0.18 1.70 2.47 0.14 -1.65 119.74 129.08 1w90 s LYS 52 Ca 0.58 -0.70 -0.29 0.00 -1.56 0.00 0.00 55.97 54.00 1w90 s LYS 52 Cb -0.23 -2.98 -0.03 0.00 -1.46 0.00 0.00 37.83 33.13 1w90 s LYS 52 CO 0.17 -0.23 1.56 0.50 0.16 0.00 0.00 175.35 177.51 1w90 s ARG 53 N 1.44 3.93 0.36 4.03 3.52 0.17 0.05 118.95 132.46 1w90 s ARG 53 Ca 0.05 1.74 0.08 0.00 -0.13 0.00 0.00 55.73 57.47 1w90 s ARG 53 Cb -0.15 -3.98 0.70 0.00 -1.56 0.00 0.00 34.95 29.96 1w90 s ARG 53 CO -0.04 -1.12 1.87 -0.91 -0.81 0.00 0.00 175.30 174.29 1w90 h ASN 54 N 10.10 0.28 -3.72 -2.12 -0.26 -1.01 -3.43 115.58 115.42 1w90 h ASN 54 Ca -0.33 -0.06 -0.39 0.00 -0.56 0.00 0.00 56.30 54.95 1w90 h ASN 54 Cb 1.15 -0.07 -0.31 0.00 -1.06 0.00 0.00 38.32 38.02 1w90 h ASN 54 CO 0.99 0.46 -0.77 -0.55 -1.06 0.00 0.00 177.43 176.50 1w90 s SER 55 N -6.85 0.92 0.21 5.81 0.15 -1.26 -5.11 113.70 107.56 1w90 s SER 55 Ca -0.06 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1w90 s SER 55 Cb 0.15 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 1w90 s SER 55 CO 0.74 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.82 1w90 n GLY 56 N 3.46 -1.98 3.69 9.45 0.00 -1.26 -5.07 105.19 113.48 1w90 n GLY 56 Ca -0.19 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 1w90 n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w90 s SER 57 N -4.01 -0.27 0.23 1.61 1.04 -1.26 -4.79 113.70 106.24 1w90 s SER 57 Ca 0.00 -0.56 0.05 0.00 0.48 0.00 0.00 55.95 55.93 1w90 s SER 57 Cb 0.00 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 1w90 s SER 57 CO 0.00 -1.20 0.29 -0.36 0.98 0.00 0.00 173.24 172.95 1w90 s PHE 58 N -3.90 3.34 -0.05 5.02 0.08 -0.81 -4.93 117.98 116.73 1w90 s PHE 58 Ca 0.11 -0.03 0.02 0.00 0.12 0.00 0.00 56.93 57.15 1w90 s PHE 58 Cb -0.03 -1.53 0.01 0.00 -0.57 0.00 0.00 43.02 40.90 1w90 s PHE 58 CO 0.03 0.48 -0.10 1.03 -0.10 0.00 0.00 175.22 176.56 1w90 s ARG 59 N -3.81 1.31 2.57 0.44 0.52 -1.26 -1.41 118.95 117.31 1w90 s ARG 59 Ca 0.34 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.23 1w90 s ARG 59 Cb -0.09 -1.14 0.00 0.00 0.52 0.00 0.00 34.95 34.24 1w90 s ARG 59 CO 0.27 0.03 0.00 0.41 0.02 0.00 0.00 175.30 176.03 1w90 n GLY 60 N 3.73 1.72 7.00 -3.53 0.00 -1.26 -4.84 105.19 108.01 1w90 n GLY 60 Ca -0.22 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1w90 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w90 n GLY 61 N 0.00 1.05 3.29 -0.02 0.00 -1.26 -4.68 105.19 103.58 1w90 n GLY 61 Ca 0.00 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 1w90 n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w90 s SER 62 N -4.00 -0.26 -0.08 1.61 1.04 0.10 -0.98 113.70 111.13 1w90 s SER 62 Ca 0.00 0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.57 1w90 s SER 62 Cb 0.00 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 1w90 s SER 62 CO 0.00 -0.52 -0.16 -0.76 0.98 0.00 0.00 173.24 172.77 1w90 s LEU 63 N -1.52 2.59 -0.02 2.42 1.43 0.30 -1.23 118.68 122.65 1w90 s LEU 63 Ca -0.11 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 52.74 1w90 s LEU 63 Cb -0.03 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 1w90 s LEU 63 CO 0.03 0.27 -0.18 -0.60 0.23 0.00 0.00 176.35 176.10 1w90 s ARG 64 N -0.27 1.58 -0.01 1.70 3.00 0.55 -0.47 118.95 125.03 1w90 s ARG 64 Ca 0.01 -0.63 -0.29 0.00 -1.00 0.00 0.00 55.73 53.82 1w90 s ARG 64 Cb -0.13 -1.46 0.10 0.00 0.00 0.00 0.00 34.95 33.46 1w90 s ARG 64 CO 0.03 0.33 0.90 -0.59 0.00 0.00 0.00 175.30 175.97 1w90 s PHE 65 N -0.25 -0.33 -0.18 5.12 -0.71 -0.82 -0.52 117.98 120.29 1w90 s PHE 65 Ca 0.03 0.20 -0.09 0.00 -1.04 0.00 0.00 56.93 56.03 1w90 s PHE 65 Cb -0.09 0.54 -0.05 0.00 -1.21 0.00 0.00 43.02 42.22 1w90 s PHE 65 CO 0.00 -0.54 0.12 -0.51 -1.34 0.00 0.00 175.22 172.96 1w90 s ASP 66 N -2.48 6.13 -0.01 1.98 1.01 0.06 -0.50 116.67 122.87 1w90 s ASP 66 Ca 0.05 0.24 -0.01 0.00 0.71 0.00 0.00 52.55 53.54 1w90 s ASP 66 Cb -0.01 -2.06 0.00 0.00 1.01 0.00 0.00 42.92 41.86 1w90 s ASP 66 CO -0.09 0.22 0.04 -0.32 0.21 0.00 0.00 175.17 175.23 1w90 s MET 67 N 0.14 0.10 0.20 8.23 -2.45 -0.53 -1.24 119.30 123.75 1w90 s MET 67 Ca 0.08 -0.05 0.09 0.00 -1.25 0.00 0.00 55.69 54.56 1w90 s MET 67 Cb -0.11 0.04 -0.05 0.00 1.25 0.00 0.00 34.83 35.96 1w90 s MET 67 CO -0.01 -0.02 -0.17 -1.59 1.05 0.00 0.00 175.02 174.29 1w90 s LYS 68 N -0.23 1.36 -0.28 4.11 -2.85 -0.73 -1.31 119.74 119.81 1w90 s LYS 68 Ca -0.03 -1.54 -0.22 0.00 -1.00 0.00 0.00 55.97 53.17 1w90 s LYS 68 Cb -0.02 -1.31 0.10 0.00 -2.06 0.00 0.00 37.83 34.54 1w90 s LYS 68 CO -0.00 0.24 0.87 0.54 0.10 0.00 0.00 175.35 177.10 1w90 s ASN 69 N -3.08 -0.63 0.34 0.03 4.22 -0.98 0.04 114.94 114.88 1w90 s ASN 69 Ca 0.21 1.15 0.18 0.00 -2.14 0.00 0.00 52.86 52.26 1w90 s ASN 69 Cb -0.03 1.20 0.38 0.00 1.28 0.00 0.00 41.25 44.07 1w90 s ASN 69 CO 0.08 -0.19 1.59 -0.33 -2.04 0.00 0.00 177.10 176.20 1w90 h GLU 70 N 5.12 0.00 0.00 3.55 5.08 -1.35 -1.44 114.58 125.54 1w90 h GLU 70 Ca -0.29 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.59 1w90 h GLU 70 Cb 1.18 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.31 1w90 h GLU 70 CO 0.11 0.39 -0.44 0.41 -1.00 0.00 0.00 179.01 178.48 1w90 n GLY 71 N 0.80 3.09 3.67 -3.84 0.00 -1.26 -4.80 105.19 102.85 1w90 n GLY 71 Ca 0.01 -1.97 -0.46 0.00 0.00 0.00 0.00 46.02 43.61 1w90 n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1w90 n LYS 72 N -0.70 2.18 -4.41 1.61 5.02 -1.26 -4.10 118.16 116.50 1w90 n LYS 72 Ca 0.02 0.79 -0.34 0.00 -2.02 0.00 0.00 58.31 56.77 1w90 n LYS 72 Cb 0.58 -2.56 -0.15 0.00 -0.02 0.00 0.00 35.03 32.88 1w90 n LYS 72 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1w90 s VAL 73 N 0.99 2.91 -0.09 -0.18 1.01 -0.47 -2.46 120.40 122.11 1w90 s VAL 73 Ca 0.79 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.94 1w90 s VAL 73 Cb -0.67 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 1w90 s VAL 73 CO 0.38 0.50 0.36 -0.75 0.00 0.00 0.00 175.10 175.59 1w90 s LYS 74 N 0.88 4.08 -0.18 2.72 2.20 -0.04 -0.88 119.74 128.52 1w90 s LYS 74 Ca -0.03 0.27 -0.03 0.00 -0.36 0.00 0.00 55.97 55.82 1w90 s LYS 74 Cb -0.15 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.82 1w90 s LYS 74 CO -0.00 0.44 -0.06 0.42 -0.36 0.00 0.00 175.35 175.78 1w90 s ILE 75 N -0.21 3.42 0.15 5.43 -1.09 -0.09 -0.62 121.20 128.20 1w90 s ILE 75 Ca 0.21 -0.50 0.04 0.00 -2.23 0.00 0.00 60.65 58.17 1w90 s ILE 75 Cb -0.15 -2.51 -0.04 0.00 -1.58 0.00 0.00 42.46 38.17 1w90 s ILE 75 CO 0.09 0.47 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.41 1w90 s LEU 76 N 0.90 2.51 0.16 2.97 1.02 -0.18 0.18 118.68 126.24 1w90 s LEU 76 Ca -0.01 -1.02 0.10 0.00 0.02 0.00 0.00 54.13 53.21 1w90 s LEU 76 Cb -0.15 -0.32 -0.04 0.00 0.02 0.00 0.00 46.19 45.70 1w90 s LEU 76 CO 0.01 -0.35 -0.17 0.68 0.02 0.00 0.00 176.35 176.54 1w90 s VAL 77 N -3.36 2.82 0.02 -1.59 -7.23 -0.85 -0.64 120.40 109.58 1w90 s VAL 77 Ca 0.17 -1.70 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1w90 s VAL 77 Cb 0.03 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.61 1w90 s VAL 77 CO 0.01 -0.02 -0.04 -1.61 -0.31 0.00 0.00 175.10 173.12 1w90 s GLU 78 N -2.50 0.34 -0.28 4.82 2.02 -0.67 -1.18 118.70 121.26 1w90 s GLU 78 Ca 0.21 -0.53 -0.01 0.00 0.02 0.00 0.00 54.97 54.66 1w90 s GLU 78 Cb -0.09 -0.07 0.05 0.00 0.10 0.00 0.00 34.13 34.11 1w90 s GLU 78 CO 0.12 0.00 -0.04 1.21 0.02 0.00 0.00 175.26 176.56 1w90 s ASN 79 N -1.18 4.63 0.05 -0.19 3.84 0.28 -1.45 114.94 120.92 1w90 s ASN 79 Ca -0.10 -1.21 -0.24 0.00 0.21 0.00 0.00 52.86 51.51 1w90 s ASN 79 Cb -0.08 -1.66 -0.17 0.00 -0.55 0.00 0.00 41.25 38.79 1w90 s ASN 79 CO -0.00 -0.21 1.57 0.28 -2.79 0.00 0.00 177.10 175.95 1w90 h SER 80 N 7.94 -0.02 -0.43 -4.21 0.02 -1.92 0.26 113.55 115.20 1w90 h SER 80 Ca -0.23 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 60.61 1w90 h SER 80 Cb 1.07 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.56 1w90 h SER 80 CO 0.52 0.15 0.15 -0.33 -1.14 0.00 0.00 176.83 176.19 1w90 h GLU 81 N -0.19 0.31 -0.00 3.45 5.08 -1.98 -1.77 114.58 119.49 1w90 h GLU 81 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1w90 h GLU 81 Cb 0.18 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1w90 h GLU 81 CO 0.00 0.21 -0.23 0.00 -1.00 0.00 0.00 179.01 177.99 1w90 n ALA 82 N -2.38 2.95 -3.44 3.43 0.00 -1.21 -4.97 120.51 114.90 1w90 n ALA 82 Ca 0.03 -0.25 -0.20 0.00 0.00 0.00 0.00 53.44 53.01 1w90 n ALA 82 Cb 0.16 -1.28 0.05 0.00 0.00 0.00 0.00 19.45 18.37 1w90 n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1w90 n ASP 83 N -1.32 -6.17 -3.72 0.00 2.03 0.87 -4.99 116.55 103.24 1w90 n ASP 83 Ca 0.08 -0.76 -0.13 0.00 0.52 0.00 0.00 54.79 54.50 1w90 n ASP 83 Cb 0.32 -4.26 -0.10 0.00 -0.72 0.00 0.00 41.12 36.37 1w90 n ASP 83 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1w90 s GLU 84 N -4.90 0.49 0.32 -0.67 2.12 -0.86 -5.00 118.70 110.20 1w90 s GLU 84 Ca 0.38 0.62 0.10 0.00 0.36 0.00 0.00 54.97 56.42 1w90 s GLU 84 Cb -0.10 0.21 -0.05 0.00 0.26 0.00 0.00 34.13 34.45 1w90 s GLU 84 CO 0.80 -0.07 -0.04 -1.59 -0.54 0.00 0.00 175.26 173.82 1w90 s LYS 85 N 0.38 2.00 -0.13 4.30 -2.85 -1.26 -0.56 119.74 121.61 1w90 s LYS 85 Ca -0.01 -1.74 -0.06 0.00 -1.00 0.00 0.00 55.97 53.16 1w90 s LYS 85 Cb -0.04 -1.90 0.06 0.00 -2.06 0.00 0.00 37.83 33.90 1w90 s LYS 85 CO -0.01 0.20 0.29 0.12 0.10 0.00 0.00 175.35 176.05 1w90 s PHE 86 N -2.51 -0.45 -0.32 1.78 5.36 -0.32 -4.99 117.98 116.53 1w90 s PHE 86 Ca 0.33 1.01 -0.29 0.00 -0.96 0.00 0.00 56.93 57.02 1w90 s PHE 86 Cb -0.01 0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.73 1w90 s PHE 86 CO 0.18 -0.33 1.30 -2.00 -1.46 0.00 0.00 175.22 172.92 1w90 s GLU 87 N 1.93 3.88 -0.06 10.12 2.12 -1.26 -2.00 118.70 133.43 1w90 s GLU 87 Ca -0.04 1.19 -0.23 0.00 0.36 0.00 0.00 54.97 56.25 1w90 s GLU 87 Cb -0.11 -3.89 -0.28 0.00 0.26 0.00 0.00 34.13 30.11 1w90 s GLU 87 CO -0.09 -1.17 0.93 0.28 -0.54 0.00 0.00 175.26 174.66 1w90 h VAL 88 N 6.02 1.56 -2.15 3.70 2.07 -0.61 -3.49 116.25 123.36 1w90 h VAL 88 Ca -0.26 -2.33 0.11 0.00 0.82 0.00 0.00 66.70 65.04 1w90 h VAL 88 Cb 1.10 3.07 -0.16 0.00 -1.52 0.00 0.00 31.29 33.77 1w90 h VAL 88 CO 1.04 0.65 0.51 -0.70 0.02 0.00 0.00 177.57 179.09 1w90 s GLU 89 N -2.63 0.77 -0.14 1.57 2.56 -1.12 -4.97 118.70 114.74 1w90 s GLU 89 Ca -0.15 -0.23 0.02 0.00 0.00 0.00 0.00 54.97 54.61 1w90 s GLU 89 Cb 0.01 0.36 0.00 0.00 2.00 0.00 0.00 34.13 36.49 1w90 s GLU 89 CO 0.79 -0.32 -0.19 0.99 -0.56 0.00 0.00 175.26 175.96 1w90 s THR 90 N -2.81 2.36 -0.14 -1.70 2.01 -1.26 -0.91 115.64 113.19 1w90 s THR 90 Ca 0.04 -0.88 -0.04 0.00 0.31 0.00 0.00 61.69 61.12 1w90 s THR 90 Cb -0.01 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 1w90 s THR 90 CO -0.07 0.54 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.76 1w90 s ILE 91 N 0.70 4.19 0.65 1.82 1.01 -0.05 -4.95 121.20 124.57 1w90 s ILE 91 Ca -0.09 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.17 1w90 s ILE 91 Cb -0.16 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 1w90 s ILE 91 CO 0.01 0.52 1.07 -0.44 0.00 0.00 0.00 174.94 176.10 1w90 s SER 92 N 0.02 5.43 0.52 3.58 0.01 -1.26 -1.37 113.70 120.64 1w90 s SER 92 Ca 0.02 1.77 -0.21 0.00 1.31 0.00 0.00 55.95 58.85 1w90 s SER 92 Cb -0.13 -2.52 -0.07 0.00 0.21 0.00 0.00 66.02 63.51 1w90 s SER 92 CO 0.02 -1.41 0.98 -2.65 0.41 0.00 0.00 173.24 170.59 1w90 n PRO 93 N -2.60 1.12 -3.68 12.44 -0.02 -1.26 -4.83 135.00 136.17 1w90 n PRO 93 Ca 0.09 0.42 -0.09 0.00 -2.02 0.00 0.00 63.50 61.89 1w90 n PRO 93 Cb 0.53 -2.12 -0.10 0.00 -0.02 0.00 0.00 33.50 31.79 1w90 n PRO 93 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1w90 s SER 94 N -1.01 -0.64 0.00 2.55 0.15 -0.54 -5.00 113.70 109.21 1w90 s SER 94 Ca 0.70 1.07 0.28 0.00 0.70 0.00 0.00 55.95 58.70 1w90 s SER 94 Cb -0.47 0.95 1.13 0.00 -1.71 0.00 0.00 66.02 65.92 1w90 s SER 94 CO 0.52 -0.21 1.80 0.47 1.20 0.00 0.00 173.24 177.02 1w90 n ASP 95 N 4.29 0.51 -4.48 5.45 8.00 -1.26 -2.32 116.55 126.73 1w90 n ASP 95 Ca -0.22 -0.53 -0.25 0.00 0.71 0.00 0.00 54.79 54.49 1w90 n ASP 95 Cb 0.56 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.50 1w90 n ASP 95 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1w90 s GLU 96 N -2.54 1.72 0.25 -1.24 2.02 -1.26 -4.95 118.70 112.70 1w90 s GLU 96 Ca 0.26 -1.62 -0.31 0.00 0.02 0.00 0.00 54.97 53.33 1w90 s GLU 96 Cb 0.20 -1.86 -0.11 0.00 0.10 0.00 0.00 34.13 32.45 1w90 s GLU 96 CO 0.50 0.36 1.63 0.71 0.02 0.00 0.00 175.26 178.48 1w90 s TYR 97 N -2.16 2.85 0.01 1.61 2.02 -1.26 -4.45 117.35 115.96 1w90 s TYR 97 Ca 0.27 0.63 0.06 0.00 -0.37 0.00 0.00 57.07 57.66 1w90 s TYR 97 Cb -0.06 -4.07 -0.02 0.00 -0.40 0.00 0.00 41.96 37.41 1w90 s TYR 97 CO 0.14 -3.78 -0.19 0.08 -1.57 0.00 0.00 175.55 170.23 1w90 s VAL 98 N 0.52 1.51 -0.24 0.71 1.01 -0.43 -4.92 120.40 118.57 1w90 s VAL 98 Ca 0.68 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 1w90 s VAL 98 Cb -0.48 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1w90 s VAL 98 CO 0.40 0.31 0.62 -0.89 0.00 0.00 0.00 175.10 175.55 1w90 s THR 99 N -0.60 5.00 -0.01 3.92 2.01 -1.26 -1.46 115.64 123.24 1w90 s THR 99 Ca 0.07 1.13 0.01 0.00 0.31 0.00 0.00 61.69 63.21 1w90 s THR 99 Cb -0.08 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1w90 s THR 99 CO 0.00 0.05 0.00 -0.31 -0.69 0.00 0.00 174.62 173.68 1w90 s TYR 100 N 2.36 3.09 -0.18 4.92 2.02 0.35 -4.98 117.35 124.93 1w90 s TYR 100 Ca 0.26 0.09 -0.02 0.00 -0.37 0.00 0.00 57.07 57.03 1w90 s TYR 100 Cb -0.16 -1.68 0.05 0.00 -0.40 0.00 0.00 41.96 39.78 1w90 s TYR 100 CO 0.09 0.46 0.03 0.42 -1.57 0.00 0.00 175.55 174.98 1w90 s ILE 101 N -1.07 0.55 -0.06 2.71 1.01 -1.26 -1.94 121.20 121.15 1w90 s ILE 101 Ca 0.19 -0.48 0.06 0.00 0.00 0.00 0.00 60.65 60.42 1w90 s ILE 101 Cb -0.11 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 1w90 s ILE 101 CO 0.10 -0.13 -0.25 -0.76 0.00 0.00 0.00 174.94 173.90 1w90 s LEU 102 N 1.86 2.06 0.31 2.97 1.43 0.38 -4.87 118.68 122.82 1w90 s LEU 102 Ca -0.00 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.30 1w90 s LEU 102 Cb -0.16 -1.35 -0.10 0.00 0.03 0.00 0.00 46.19 44.60 1w90 s LEU 102 CO -0.08 0.23 1.30 -1.81 0.23 0.00 0.00 176.35 176.23 1w90 s ASP 103 N -0.12 6.81 -0.34 2.29 1.01 -1.26 -0.54 116.67 124.52 1w90 s ASP 103 Ca -0.05 2.63 -0.08 0.00 0.71 0.00 0.00 52.55 55.76 1w90 s ASP 103 Cb -0.14 -2.64 0.03 0.00 1.01 0.00 0.00 42.92 41.18 1w90 s ASP 103 CO 0.04 -0.52 0.14 -0.69 0.21 0.00 0.00 175.17 174.35 1w90 s VAL 104 N -0.93 4.11 -2.87 -1.27 1.01 -0.15 -4.89 120.40 115.42 1w90 s VAL 104 Ca 0.50 -0.93 0.24 0.00 0.00 0.00 0.00 61.98 61.80 1w90 s VAL 104 Cb -0.39 -3.27 0.27 0.00 0.00 0.00 0.00 36.38 32.99 1w90 s VAL 104 CO 0.50 -0.14 1.35 0.47 0.00 0.00 0.00 175.10 177.28 1w90 n ASP 105 N 4.89 2.82 -4.61 3.32 8.00 -1.26 -3.99 116.55 125.72 1w90 n ASP 105 Ca -0.13 -1.93 -0.47 0.00 0.71 0.00 0.00 54.79 52.98 1w90 n ASP 105 Cb 0.46 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 1w90 n ASP 105 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1w90 n PHE 106 N 1.19 1.57 1.34 1.24 7.35 -1.26 -4.89 117.46 124.00 1w90 n PHE 106 Ca 0.15 0.61 0.13 0.00 -0.76 0.00 0.00 57.45 57.58 1w90 n PHE 106 Cb 0.56 -2.33 0.41 0.00 0.35 0.00 0.00 39.48 38.47 1w90 n PHE 106 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1w90 n ASP 107 N 1.87 1.47 -4.62 -2.13 5.75 -1.26 -4.49 116.55 113.13 1w90 n ASP 107 Ca 0.13 -1.31 -0.25 0.00 -0.01 0.00 0.00 54.79 53.34 1w90 n ASP 107 Cb 0.28 0.07 -0.08 0.00 -1.03 0.00 0.00 41.12 40.37 1w90 n ASP 107 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1w90 s LEU 108 N -2.21 3.15 0.91 -2.12 1.43 -1.26 -5.05 118.68 113.53 1w90 s LEU 108 Ca 0.31 -0.57 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 1w90 s LEU 108 Cb 0.20 -1.75 0.14 0.00 0.03 0.00 0.00 46.19 44.81 1w90 s LEU 108 CO 0.41 0.05 1.15 -2.84 0.23 0.00 0.00 176.35 175.36 1w90 s PRO 109 N -3.24 1.04 -0.01 1.29 0.02 -1.26 -4.61 135.00 128.23 1w90 s PRO 109 Ca 0.28 1.57 0.02 0.00 0.02 0.00 0.00 61.00 62.89 1w90 s PRO 109 Cb -0.08 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.71 1w90 s PRO 109 CO 0.18 -2.62 -0.06 -0.59 -0.33 0.00 0.00 177.00 173.58 1w90 s PHE 110 N -2.62 0.64 -1.86 6.54 -0.71 -0.50 -4.51 117.98 114.96 1w90 s PHE 110 Ca 0.67 -0.13 0.16 0.00 -1.04 0.00 0.00 56.93 56.59 1w90 s PHE 110 Cb -0.23 -0.45 0.19 0.00 -1.21 0.00 0.00 43.02 41.32 1w90 s PHE 110 CO 0.58 -0.04 1.07 -0.40 -1.34 0.00 0.00 175.22 175.08 1w90 n ASP 111 N 3.13 2.51 -4.12 1.98 5.75 -0.53 -1.93 116.55 123.36 1w90 n ASP 111 Ca -0.16 -1.73 -0.18 0.00 -0.01 0.00 0.00 54.79 52.72 1w90 n ASP 111 Cb 0.56 -0.06 -0.13 0.00 -1.03 0.00 0.00 41.12 40.46 1w90 n ASP 111 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1w90 s ARG 112 N -1.26 0.76 -0.09 0.11 0.52 -0.91 -0.66 118.95 117.42 1w90 s ARG 112 Ca 0.21 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.65 1w90 s ARG 112 Cb 0.14 -0.71 0.02 0.00 0.52 0.00 0.00 34.95 34.92 1w90 s ARG 112 CO 0.20 0.17 -0.08 0.42 0.02 0.00 0.00 175.30 176.03 1w90 s ILE 113 N -1.05 0.98 0.05 1.52 1.01 -0.66 -1.67 121.20 121.38 1w90 s ILE 113 Ca -0.02 -0.30 0.06 0.00 0.00 0.00 0.00 60.65 60.39 1w90 s ILE 113 Cb -0.09 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 1w90 s ILE 113 CO 0.01 0.35 -0.18 0.00 0.00 0.00 0.00 174.94 175.12 1w90 s ALA 114 N 1.37 1.48 -0.17 9.38 0.00 0.18 0.38 121.76 134.39 1w90 s ALA 114 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1w90 s ALA 114 Cb -0.14 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.78 1w90 s ALA 114 CO -0.04 0.30 -0.08 -0.06 0.00 0.00 0.00 175.76 175.88 1w90 s PHE 115 N -0.93 1.95 -0.06 0.00 0.40 -0.28 -1.01 117.98 118.04 1w90 s PHE 115 Ca 0.04 -1.20 0.03 0.00 -0.60 0.00 0.00 56.93 55.20 1w90 s PHE 115 Cb -0.09 -1.44 -0.02 0.00 0.51 0.00 0.00 43.02 41.98 1w90 s PHE 115 CO 0.02 -0.65 -0.14 -1.14 0.70 0.00 0.00 175.22 174.01 1w90 s GLN 116 N 1.55 2.64 -1.06 0.44 0.74 0.21 -1.77 119.66 122.42 1w90 s GLN 116 Ca 0.01 -0.69 -0.23 0.00 0.05 0.00 0.00 55.36 54.51 1w90 s GLN 116 Cb -0.15 -2.42 -0.00 0.00 1.10 0.00 0.00 33.01 31.54 1w90 s GLN 116 CO -0.08 0.56 1.74 0.34 -0.55 0.00 0.00 175.29 177.30 1w90 s ASP 117 N -0.57 5.87 0.23 6.67 2.15 -0.29 -0.86 116.67 129.86 1w90 s ASP 117 Ca 0.08 -1.41 -0.07 0.00 0.43 0.00 0.00 52.55 51.58 1w90 s ASP 117 Cb -0.11 -2.57 0.27 0.00 -0.30 0.00 0.00 42.92 40.20 1w90 s ASP 117 CO 0.01 -2.11 1.85 0.00 -0.17 0.00 0.00 175.17 174.75 1w90 h ALA 118 N 9.89 1.06 0.00 3.66 0.00 -1.80 -1.71 119.26 130.36 1w90 h ALA 118 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1w90 h ALA 118 Cb 0.97 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1w90 h ALA 118 CO 1.33 0.25 0.00 -1.35 0.00 0.00 0.00 179.25 179.48 1w90 h PRO 119 N 0.92 0.00 -0.24 0.00 0.11 -1.90 -3.47 132.00 127.42 1w90 h PRO 119 Ca 0.33 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.34 1w90 h PRO 119 Cb 0.10 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.17 1w90 h PRO 119 CO -0.15 0.00 -0.09 0.41 -0.21 0.00 0.00 178.00 177.96 1w90 n GLY 120 N 0.65 0.75 1.08 -0.55 0.00 -0.64 -4.91 105.19 101.56 1w90 n GLY 120 Ca 0.04 -0.56 0.11 0.00 0.00 0.00 0.00 46.02 45.61 1w90 n GLY 120 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1w90 n ASN 121 N 0.61 3.35 0.00 1.61 3.02 -1.26 -0.32 115.26 122.27 1w90 n ASN 121 Ca -0.05 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.54 1w90 n ASN 121 Cb 0.20 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 1w90 n ASN 121 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1w90 n GLY 122 N 1.37 0.64 3.64 7.41 0.00 -1.26 -4.70 105.19 112.29 1w90 n GLY 122 Ca 0.18 -0.13 -0.48 0.00 0.00 0.00 0.00 46.02 45.59 1w90 n GLY 122 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1w90 n ASP 123 N 0.23 2.55 -4.85 1.61 8.00 -1.26 -4.46 116.55 118.37 1w90 n ASP 123 Ca 0.00 1.09 -0.31 0.00 0.71 0.00 0.00 54.79 56.28 1w90 n ASP 123 Cb 0.00 -1.33 0.02 0.00 -0.02 0.00 0.00 41.12 39.78 1w90 n ASP 123 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1w90 s ARG 124 N 0.85 3.46 -0.02 -1.24 0.52 -1.26 -4.54 118.95 116.73 1w90 s ARG 124 Ca 0.81 0.82 0.00 0.00 -0.52 0.00 0.00 55.73 56.85 1w90 s ARG 124 Cb -0.79 -2.06 0.02 0.00 0.52 0.00 0.00 34.95 32.64 1w90 s ARG 124 CO 0.42 -0.68 0.00 0.42 0.02 0.00 0.00 175.30 175.48 1w90 s ILE 125 N -3.09 0.09 -0.10 1.52 1.01 -1.02 -1.09 121.20 118.53 1w90 s ILE 125 Ca 0.56 0.06 0.04 0.00 0.00 0.00 0.00 60.65 61.31 1w90 s ILE 125 Cb -0.12 -0.16 0.00 0.00 0.01 0.00 0.00 42.46 42.20 1w90 s ILE 125 CO 0.52 0.09 -0.23 0.26 0.00 0.00 0.00 174.94 175.58 1w90 s TRP 126 N 0.61 2.43 -0.04 3.97 0.51 0.11 -0.82 118.94 125.70 1w90 s TRP 126 Ca -0.06 -1.00 0.04 0.00 -2.12 0.00 0.00 56.10 52.96 1w90 s TRP 126 Cb -0.08 -1.63 0.00 0.00 -0.81 0.00 0.00 33.47 30.94 1w90 s TRP 126 CO -0.01 -0.41 -0.14 0.42 -0.51 0.00 0.00 176.95 176.29 1w90 s ILE 127 N 0.39 1.23 0.14 2.03 1.01 -0.32 -1.77 121.20 123.92 1w90 s ILE 127 Ca -0.18 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 1w90 s ILE 127 Cb -0.18 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1w90 s ILE 127 CO 0.08 0.36 0.03 -0.54 0.00 0.00 0.00 174.94 174.88 1w90 s LYS 128 N 0.18 0.97 -1.32 2.79 1.02 -0.37 -1.41 119.74 121.59 1w90 s LYS 128 Ca -0.05 -1.46 -0.03 0.00 0.02 0.00 0.00 55.97 54.45 1w90 s LYS 128 Cb -0.11 0.07 0.01 0.00 -0.52 0.00 0.00 37.83 37.28 1w90 s LYS 128 CO 0.02 -0.21 0.87 0.09 -0.92 0.00 0.00 175.35 175.20 1w90 n ASN 129 N -0.13 -2.51 -4.67 2.83 3.02 -0.34 -0.76 115.26 112.71 1w90 n ASN 129 Ca -0.06 -0.73 -0.43 0.00 -0.03 0.00 0.00 54.58 53.33 1w90 n ASN 129 Cb 0.63 -4.41 -0.02 0.00 -0.61 0.00 0.00 39.78 35.37 1w90 n ASN 129 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1w90 s LEU 130 N -6.76 4.16 -0.05 3.41 2.96 0.14 -3.73 118.68 118.81 1w90 s LEU 130 Ca 0.17 1.40 -0.03 0.00 -0.22 0.00 0.00 54.13 55.46 1w90 s LEU 130 Cb -0.08 -3.50 0.03 0.00 0.50 0.00 0.00 46.19 43.14 1w90 s LEU 130 CO 0.79 -0.55 0.11 -0.69 -1.32 0.00 0.00 176.35 174.69 1w90 s VAL 131 N 2.63 -0.03 -0.11 1.68 1.01 0.33 0.02 120.40 125.92 1w90 s VAL 131 Ca 0.45 0.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.47 1w90 s VAL 131 Cb -0.16 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1w90 s VAL 131 CO 0.11 0.05 0.17 -2.28 0.00 0.00 0.00 175.10 173.15 1w90 s HIS 132 N 0.79 3.60 -0.02 5.22 2.46 -0.32 -0.33 115.29 126.70 1w90 s HIS 132 Ca -0.06 0.57 0.07 0.00 0.47 0.00 0.00 55.06 56.10 1w90 s HIS 132 Cb -0.08 -1.99 -0.02 0.00 -0.13 0.00 0.00 32.58 30.35 1w90 s HIS 132 CO -0.04 0.70 -0.22 0.45 -2.47 0.00 0.00 174.74 173.16 1w90 s SER 133 N -0.94 3.40 0.41 9.88 0.15 -0.37 -1.05 113.70 125.19 1w90 s SER 133 Ca 0.16 -0.40 0.29 0.00 0.70 0.00 0.00 55.95 56.70 1w90 s SER 133 Cb -0.12 -0.50 1.16 0.00 -1.71 0.00 0.00 66.02 64.84 1w90 s SER 133 CO 0.05 0.32 1.85 0.71 1.20 0.00 0.00 173.24 177.37 1w90 h THR 134 N 4.38 0.00 -4.50 6.45 1.35 -1.61 0.31 112.91 119.29 1w90 h THR 134 Ca -0.45 -0.40 -0.34 0.00 -0.55 0.00 0.00 66.41 64.68 1w90 h THR 134 Cb 1.13 1.28 0.08 0.00 -1.73 0.00 0.00 68.15 68.92 1w90 h THR 134 CO 0.48 0.00 0.15 0.61 -0.25 0.00 0.00 175.52 176.51 1w90 n GLY 135 N 0.08 0.07 3.88 5.82 0.00 -1.26 -3.97 105.19 109.81 1w90 n GLY 135 Ca 0.01 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 1w90 n GLY 135 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w90 s SER 136 N -4.20 5.62 0.18 1.61 1.04 -1.26 -2.75 113.70 113.93 1w90 s SER 136 Ca 0.51 1.15 -0.14 0.00 0.48 0.00 0.00 55.95 57.96 1w90 s SER 136 Cb -0.02 -2.02 0.15 0.00 0.10 0.00 0.00 66.02 64.23 1w90 s SER 136 CO 0.35 -1.22 1.73 0.00 0.98 0.00 0.00 173.24 175.08 1w90 h ALA 137 N -0.54 0.52 -0.23 5.32 0.00 -1.86 -2.04 119.26 120.43 1w90 h ALA 137 Ca -0.45 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1w90 h ALA 137 Cb 1.24 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1w90 h ALA 137 CO 0.63 -0.29 0.05 0.22 0.00 0.00 0.00 179.25 179.86 1w90 h ASP 138 N 0.26 0.30 -0.05 0.00 3.58 -1.94 -2.68 116.42 115.88 1w90 h ASP 138 Ca 0.22 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1w90 h ASP 138 Cb 0.27 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.24 1w90 h ASP 138 CO -0.27 0.32 0.00 0.47 -2.88 0.00 0.00 179.24 176.88 1w90 n ASP 139 N -4.39 2.10 -4.66 2.28 8.00 -1.04 -4.96 116.55 113.88 1w90 n ASP 139 Ca 0.00 -1.71 -0.42 0.00 0.71 0.00 0.00 54.79 53.38 1w90 n ASP 139 Cb 0.16 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 1w90 n ASP 139 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1w90 s PHE 140 N -1.96 1.51 -0.42 1.24 2.19 -0.79 -4.89 117.98 114.85 1w90 s PHE 140 Ca 0.34 -0.26 -0.12 0.00 0.33 0.00 0.00 56.93 57.22 1w90 s PHE 140 Cb 0.20 -4.15 0.05 0.00 -1.31 0.00 0.00 43.02 37.82 1w90 s PHE 140 CO 0.32 -5.07 0.29 0.08 1.83 0.00 0.00 175.22 172.66 1w90 s VAL 141 N 4.27 4.74 -0.36 3.12 1.01 -1.26 -5.05 120.40 126.88 1w90 s VAL 141 Ca 0.84 -1.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.49 1w90 s VAL 141 Cb -0.40 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1w90 s VAL 141 CO 0.38 -0.42 1.71 -0.62 0.00 0.00 0.00 175.10 176.15 1w90 s ASP 142 N 2.02 5.98 0.00 3.32 -1.08 -1.26 -4.89 116.67 120.75 1w90 s ASP 142 Ca 0.03 1.17 0.20 0.00 -0.52 0.00 0.00 52.55 53.43 1w90 s ASP 142 Cb -0.22 -2.53 0.94 0.00 -1.46 0.00 0.00 42.92 39.66 1w90 s ASP 142 CO 0.06 -1.66 1.65 -0.81 0.52 0.00 0.00 175.17 174.92 1w90 n PRO 143 N 8.37 0.14 0.00 4.34 -0.04 -1.26 -4.21 135.00 142.34 1w90 n PRO 143 Ca 0.21 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1w90 n PRO 143 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1w90 n PRO 143 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1w90 n ILE 144 N -1.40 0.00 1.77 0.52 2.08 -1.26 -5.23 119.36 115.84 1w90 n ILE 144 Ca 0.07 0.00 0.15 0.00 0.56 0.00 0.00 62.75 63.53 1w90 n ILE 144 Cb 0.20 -0.18 0.75 0.00 -0.75 0.00 0.00 39.64 39.66 1w90 n ILE 144 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70