#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wsq s LYS 3 N 0.00 3.01 0.91 1.43 1.02 -1.26 -5.03 119.74 119.82 2wsq s LYS 3 Ca 0.00 -0.63 -0.12 0.00 0.02 0.00 0.00 55.97 55.24 2wsq s LYS 3 Cb 0.00 -2.80 0.13 0.00 -0.52 0.00 0.00 37.83 34.64 2wsq s LYS 3 CO 0.00 0.58 1.11 -1.25 -0.92 0.00 0.00 175.35 174.86 2wsq s PRO 4 N -2.42 1.19 0.00 -1.68 0.04 -1.26 -4.94 135.00 125.92 2wsq s PRO 4 Ca 0.31 0.52 -0.37 0.00 0.04 0.00 0.00 61.00 61.50 2wsq s PRO 4 Cb -0.12 -1.83 -0.15 0.00 0.04 0.00 0.00 34.50 32.44 2wsq s PRO 4 CO 0.23 -2.21 1.53 0.94 0.04 0.00 0.00 177.00 177.53 2wsq n GLN 5 N -3.82 1.44 -1.63 4.56 7.27 -1.26 -4.94 117.38 118.99 2wsq n GLN 5 Ca 0.06 0.52 -0.30 0.00 0.07 0.00 0.00 57.00 57.36 2wsq n GLN 5 Cb 0.57 -2.22 0.09 0.00 2.41 0.00 0.00 30.24 31.10 2wsq n GLN 5 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 2wsq s PRO 6 N 1.61 2.02 -0.01 3.69 0.02 -1.26 -4.87 135.00 136.20 2wsq s PRO 6 Ca 0.87 0.50 0.02 0.00 0.02 0.00 0.00 61.00 62.41 2wsq s PRO 6 Cb -0.90 -1.92 -0.00 0.00 0.02 0.00 0.00 34.50 31.69 2wsq s PRO 6 CO 0.50 -1.63 -0.08 0.42 -0.33 0.00 0.00 177.00 175.87 2wsq s ILE 7 N -3.25 0.67 -0.33 2.83 1.01 -0.26 -1.65 121.20 120.22 2wsq s ILE 7 Ca 0.61 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.96 2wsq s ILE 7 Cb -0.14 -0.58 0.10 0.00 0.01 0.00 0.00 42.46 41.85 2wsq s ILE 7 CO 0.53 0.20 0.03 0.00 0.00 0.00 0.00 174.94 175.71 2wsq s ALA 8 N -0.02 2.81 -0.13 9.38 0.00 -0.92 -0.86 121.76 132.04 2wsq s ALA 8 Ca 0.01 -2.42 -0.04 0.00 0.00 0.00 0.00 51.96 49.50 2wsq s ALA 8 Cb -0.05 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 2wsq s ALA 8 CO -0.00 -1.63 0.03 0.00 0.00 0.00 0.00 175.76 174.15 2wsq s ALA 9 N 0.95 3.34 -0.17 0.00 0.00 0.20 -1.66 121.76 124.42 2wsq s ALA 9 Ca 0.09 -0.77 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 2wsq s ALA 9 Cb -0.19 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 2wsq s ALA 9 CO -0.08 0.43 0.08 0.00 0.00 0.00 0.00 175.76 176.18 2wsq s ALA 10 N -0.39 3.50 -0.38 0.00 0.00 0.36 0.06 121.76 124.92 2wsq s ALA 10 Ca 0.08 -0.73 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 2wsq s ALA 10 Cb -0.12 -1.93 0.07 0.00 0.00 0.00 0.00 23.12 21.14 2wsq s ALA 10 CO 0.02 0.27 0.18 -0.80 0.00 0.00 0.00 175.76 175.43 2wsq s ASN 11 N 0.07 5.42 -0.11 0.00 0.01 0.65 -0.27 114.94 120.70 2wsq s ASN 11 Ca 0.06 -1.43 -0.08 0.00 -0.71 0.00 0.00 52.86 50.70 2wsq s ASN 11 Cb -0.12 -1.90 -0.04 0.00 0.41 0.00 0.00 41.25 39.59 2wsq s ASN 11 CO 0.00 -0.44 0.17 0.26 -1.51 0.00 0.00 177.10 175.58 2wsq s TRP 12 N 1.37 3.60 0.00 2.20 0.51 -0.26 -4.56 118.94 121.80 2wsq s TRP 12 Ca 0.01 0.57 0.00 0.00 -2.12 0.00 0.00 56.10 54.57 2wsq s TRP 12 Cb -0.21 -2.00 0.00 0.00 -0.81 0.00 0.00 33.47 30.45 2wsq s TRP 12 CO 0.01 0.70 0.00 0.36 -0.51 0.00 0.00 176.95 177.51 2wsq n LYS 13 N 2.07 1.30 -0.57 4.98 2.85 -1.26 -3.96 118.16 123.58 2wsq n LYS 13 Ca -0.19 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 56.88 2wsq n LYS 13 Cb 0.54 -0.31 0.01 0.00 -0.65 0.00 0.00 35.03 34.63 2wsq n LYS 13 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wsq n ASN 15 N 1.58 0.86 -2.25 0.00 3.02 -1.26 -4.84 115.26 112.37 2wsq n ASN 15 Ca 0.01 -2.26 -0.02 0.00 -0.03 0.00 0.00 54.58 52.28 2wsq n ASN 15 Cb 0.27 -0.30 0.05 0.00 -0.61 0.00 0.00 39.78 39.18 2wsq n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wsq n GLY 16 N 0.08 2.41 0.00 7.41 0.00 -1.26 -5.13 105.19 108.70 2wsq n GLY 16 Ca 0.06 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2wsq n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wsq n SER 17 N -0.37 0.00 0.00 1.61 3.41 -1.26 -4.94 113.62 112.07 2wsq n SER 17 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2wsq n SER 17 Cb 0.91 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 2wsq n SER 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wsq n GLN 18 N -0.81 0.10 -0.02 4.33 6.02 -1.26 -4.78 117.38 120.96 2wsq n GLN 18 Ca 0.00 -0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 56.84 2wsq n GLN 18 Cb 0.00 -0.38 -0.09 0.00 1.02 0.00 0.00 30.24 30.80 2wsq n GLN 18 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 2wsq h GLN 19 N 0.00 0.07 -0.01 -1.09 3.07 -1.99 -1.44 115.11 113.73 2wsq h GLN 19 Ca 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 58.65 58.71 2wsq h GLN 19 Cb 0.32 -0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.88 2wsq h GLN 19 CO 0.00 0.46 -0.00 0.66 0.09 0.00 0.00 178.83 180.04 2wsq h SER 20 N -0.32 0.01 -0.53 0.06 4.64 -1.94 -2.13 113.55 113.34 2wsq h SER 20 Ca 0.01 -0.45 0.11 0.00 -0.47 0.00 0.00 61.79 60.99 2wsq h SER 20 Cb 0.44 -0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.43 2wsq h SER 20 CO 0.00 0.46 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.28 2wsq h LEU 21 N -0.43 -0.38 -0.65 5.97 3.38 -1.87 0.72 115.31 122.04 2wsq h LEU 21 Ca 0.00 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.19 2wsq h LEU 21 Cb 0.45 0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 2wsq h LEU 21 CO 0.00 -0.14 0.32 -1.28 0.09 0.00 0.00 178.44 177.43 2wsq h SER 22 N 0.05 0.43 -0.09 -0.43 0.87 -1.19 0.11 113.55 113.29 2wsq h SER 22 Ca 0.26 0.05 -0.17 0.00 -1.23 0.00 0.00 61.79 60.70 2wsq h SER 22 Cb 0.41 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2wsq h SER 22 CO -0.51 0.27 -0.55 -0.33 -0.53 0.00 0.00 176.83 175.17 2wsq h GLU 23 N 0.58 0.68 -0.62 2.24 5.08 -0.61 -2.55 114.58 119.39 2wsq h GLU 23 Ca 0.31 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2wsq h GLU 23 Cb 0.28 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 2wsq h GLU 23 CO -0.23 1.05 0.23 -0.07 -1.00 0.00 0.00 179.01 178.99 2wsq h LEU 24 N 0.52 0.86 -1.10 1.33 3.38 -0.28 -1.51 115.31 118.51 2wsq h LEU 24 Ca 0.01 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.83 2wsq h LEU 24 Cb 1.12 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 2wsq h LEU 24 CO 0.11 0.81 0.61 0.40 0.09 0.00 0.00 178.44 180.46 2wsq h ILE 25 N 0.86 1.17 -0.10 1.22 2.04 -0.71 0.17 117.51 122.17 2wsq h ILE 25 Ca 0.20 -0.41 -0.14 0.00 1.00 0.00 0.00 64.86 65.52 2wsq h ILE 25 Cb 0.23 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 2wsq h ILE 25 CO -0.01 0.22 -0.53 0.44 0.00 0.00 0.00 178.15 178.26 2wsq h ASP 26 N 1.18 0.32 -0.48 1.72 3.32 -1.30 0.10 116.42 121.28 2wsq h ASP 26 Ca 0.36 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 2wsq h ASP 26 Cb -0.02 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2wsq h ASP 26 CO -0.10 0.79 -0.09 0.25 -1.72 0.00 0.00 179.24 178.36 2wsq h LEU 27 N 0.22 0.92 -0.69 1.55 6.46 -0.17 -1.99 115.31 121.62 2wsq h LEU 27 Ca 0.00 -0.35 -0.13 0.00 -0.12 0.00 0.00 57.88 57.28 2wsq h LEU 27 Cb 1.01 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 2wsq h LEU 27 CO 0.09 1.06 -0.39 -0.26 -0.62 0.00 0.00 178.44 178.31 2wsq h PHE 28 N 0.77 0.67 0.00 1.25 0.04 -0.44 -2.50 116.94 116.73 2wsq h PHE 28 Ca 0.13 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2wsq h PHE 28 Cb 0.64 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.65 2wsq h PHE 28 CO 0.05 0.87 0.00 -0.91 -0.60 0.00 0.00 178.31 177.72 2wsq h ASN 29 N 0.47 0.00 0.00 2.17 4.21 -0.44 -2.89 115.58 119.10 2wsq h ASN 29 Ca 0.04 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.55 2wsq h ASN 29 Cb 0.89 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.09 2wsq h ASN 29 CO 0.08 0.00 -0.89 -1.54 -1.29 0.00 0.00 177.43 173.79 2wsq n SER 30 N -2.90 0.85 -4.78 5.81 3.41 -0.78 -4.83 113.62 110.41 2wsq n SER 30 Ca 0.01 -0.89 -0.37 0.00 -0.26 0.00 0.00 58.87 57.35 2wsq n SER 30 Cb 0.29 1.03 -0.03 0.00 -0.26 0.00 0.00 64.21 65.23 2wsq n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2wsq s THR 31 N -2.72 3.49 -0.26 6.66 2.01 -0.96 -5.05 115.64 118.81 2wsq s THR 31 Ca 0.06 1.20 -0.09 0.00 0.31 0.00 0.00 61.69 63.17 2wsq s THR 31 Cb 0.14 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2wsq s THR 31 CO 0.74 0.06 0.12 -0.55 -0.69 0.00 0.00 174.62 174.31 2wsq s SER 32 N -1.37 5.58 -0.17 3.53 0.15 -1.26 -5.04 113.70 115.12 2wsq s SER 32 Ca 0.57 -0.09 0.01 0.00 0.70 0.00 0.00 55.95 57.14 2wsq s SER 32 Cb -0.26 -2.02 0.02 0.00 -1.71 0.00 0.00 66.02 62.05 2wsq s SER 32 CO 0.32 -0.02 -0.20 -0.63 1.20 0.00 0.00 173.24 173.91 2wsq s ILE 33 N 1.55 2.05 -0.03 6.45 1.01 -1.26 -5.04 121.20 125.93 2wsq s ILE 33 Ca 0.06 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 2wsq s ILE 33 Cb -0.15 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 2wsq s ILE 33 CO 0.06 0.54 -0.05 0.59 0.00 0.00 0.00 174.94 176.09 2wsq n ASN 34 N 4.45 0.33 -4.29 3.58 3.02 -1.26 -5.01 115.26 116.09 2wsq n ASN 34 Ca -0.21 0.17 -0.33 0.00 -0.03 0.00 0.00 54.58 54.17 2wsq n ASN 34 Cb 0.50 -0.55 0.13 0.00 -0.61 0.00 0.00 39.78 39.25 2wsq n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wsq n HIS 35 N -2.77 -1.82 -2.57 3.10 1.44 -1.26 -4.83 115.22 106.51 2wsq n HIS 35 Ca -0.02 0.20 -0.43 0.00 -2.01 0.00 0.00 57.72 55.46 2wsq n HIS 35 Cb 0.07 -1.63 -0.02 0.00 0.12 0.00 0.00 29.99 28.53 2wsq n HIS 35 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2wsq s ASP 36 N -1.76 6.60 -0.12 4.39 2.15 -1.26 -4.97 116.67 121.69 2wsq s ASP 36 Ca 0.53 0.49 -0.10 0.00 0.43 0.00 0.00 52.55 53.91 2wsq s ASP 36 Cb -0.15 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 39.96 2wsq s ASP 36 CO 0.68 -1.28 0.31 0.54 -0.17 0.00 0.00 175.17 175.25 2wsq s VAL 37 N 4.58 -0.01 -0.40 1.11 0.11 -1.26 -4.06 120.40 120.46 2wsq s VAL 37 Ca 0.49 0.04 -0.14 0.00 -2.93 0.00 0.00 61.98 59.44 2wsq s VAL 37 Cb -0.08 -0.45 0.02 0.00 -1.53 0.00 0.00 36.38 34.35 2wsq s VAL 37 CO 0.32 0.02 0.28 -1.58 -3.33 0.00 0.00 175.10 170.81 2wsq s GLN 38 N 0.51 2.95 0.28 1.54 2.00 -0.66 -4.89 119.66 121.39 2wsq s GLN 38 Ca -0.03 -1.02 -0.16 0.00 -2.00 0.00 0.00 55.36 52.15 2wsq s GLN 38 Cb -0.04 -3.93 -0.09 0.00 0.80 0.00 0.00 33.01 29.75 2wsq s GLN 38 CO -0.03 -0.73 0.71 0.00 -0.50 0.00 0.00 175.29 174.74 2wsq s VAL 40 N -1.83 -0.06 -0.20 0.00 1.01 -0.66 -1.84 120.40 116.82 2wsq s VAL 40 Ca 0.50 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.70 2wsq s VAL 40 Cb -0.12 -0.08 0.03 0.00 0.00 0.00 0.00 36.38 36.21 2wsq s VAL 40 CO 0.19 0.08 -0.17 -0.69 0.00 0.00 0.00 175.10 174.51 2wsq s VAL 41 N 1.01 2.07 -0.61 2.92 1.01 -0.78 0.13 120.40 126.14 2wsq s VAL 41 Ca -0.08 -1.15 -0.06 0.00 0.00 0.00 0.00 61.98 60.69 2wsq s VAL 41 Cb -0.12 -1.97 0.16 0.00 0.00 0.00 0.00 36.38 34.45 2wsq s VAL 41 CO -0.03 0.35 0.46 0.00 0.00 0.00 0.00 175.10 175.88 2wsq s ALA 42 N 1.24 3.60 0.95 5.51 0.00 0.62 -1.76 121.76 131.92 2wsq s ALA 42 Ca 0.01 -3.07 -0.09 0.00 0.00 0.00 0.00 51.96 48.81 2wsq s ALA 42 Cb -0.15 -2.83 0.13 0.00 0.00 0.00 0.00 23.12 20.27 2wsq s ALA 42 CO -0.10 -2.07 0.78 -0.35 0.00 0.00 0.00 175.76 174.01 2wsq n PRO 43 N 3.94 -0.66 -1.82 0.00 -0.04 -1.25 -1.10 135.00 134.07 2wsq n PRO 43 Ca 0.05 -1.29 -0.33 0.00 -0.04 0.00 0.00 63.50 61.89 2wsq n PRO 43 Cb 0.40 -0.77 0.04 0.00 -0.04 0.00 0.00 33.50 33.13 2wsq n PRO 43 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2wsq s SER 44 N -3.87 5.33 0.31 3.54 0.01 -1.25 -4.77 113.70 113.00 2wsq s SER 44 Ca 0.45 1.91 0.07 0.00 1.31 0.00 0.00 55.95 59.68 2wsq s SER 44 Cb -0.01 -2.54 0.75 0.00 0.21 0.00 0.00 66.02 64.43 2wsq s SER 44 CO 0.31 -1.48 1.79 0.15 0.41 0.00 0.00 173.24 174.43 2wsq h PHE 45 N 0.08 1.02 0.00 2.43 3.57 -1.95 0.10 116.94 122.19 2wsq h PHE 45 Ca -0.46 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2wsq h PHE 45 Cb 1.23 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.66 2wsq h PHE 45 CO 0.56 0.26 0.00 -0.39 -2.23 0.00 0.00 178.31 176.51 2wsq h VAL 46 N 0.76 0.00 -0.21 1.41 -1.51 -2.03 -2.48 116.25 112.19 2wsq h VAL 46 Ca 0.56 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 65.50 2wsq h VAL 46 Cb 0.88 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2wsq h VAL 46 CO -0.34 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 177.41 2wsq n HIS 47 N -2.55 0.26 -0.08 5.19 8.25 0.31 -4.62 115.22 121.98 2wsq n HIS 47 Ca 0.04 -0.13 -0.07 0.00 -0.26 0.00 0.00 57.72 57.29 2wsq n HIS 47 Cb 0.38 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.49 2wsq n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2wsq h LEU 48 N 3.24 0.07 0.18 2.41 4.07 -1.00 -1.47 115.31 122.81 2wsq h LEU 48 Ca 0.00 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 2wsq h LEU 48 Cb 0.71 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.49 2wsq h LEU 48 CO 0.00 0.07 -0.09 0.00 -1.08 0.00 0.00 178.44 177.35 2wsq h ALA 49 N 1.20 -0.24 -0.30 1.53 0.00 -1.82 -1.51 119.26 118.12 2wsq h ALA 49 Ca 0.13 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2wsq h ALA 49 Cb 0.12 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2wsq h ALA 49 CO -0.15 -0.57 -0.10 1.98 0.00 0.00 0.00 179.25 180.41 2wsq h MET 50 N -0.39 -0.04 -0.59 0.00 1.85 -1.85 -2.43 114.93 111.48 2wsq h MET 50 Ca -0.02 0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.08 2wsq h MET 50 Cb 0.30 0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.31 2wsq h MET 50 CO 0.04 -0.02 0.38 1.15 -0.40 0.00 0.00 176.91 178.06 2wsq h THR 51 N -0.04 1.12 0.41 -0.77 2.02 -1.19 -2.11 112.91 112.35 2wsq h THR 51 Ca 0.15 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 2wsq h THR 51 Cb 0.26 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2wsq h THR 51 CO -0.33 0.14 -0.21 0.50 0.37 0.00 0.00 175.52 175.99 2wsq h LYS 52 N 0.76 -0.55 -0.39 6.66 3.64 -0.79 0.11 116.57 126.02 2wsq h LYS 52 Ca 0.23 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2wsq h LYS 52 Cb -0.05 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2wsq h LYS 52 CO -0.07 -0.37 0.25 1.49 -2.27 0.00 0.00 179.45 178.48 2wsq h GLU 53 N -0.57 0.51 -0.03 1.90 4.81 -1.47 -3.27 114.58 116.47 2wsq h GLU 53 Ca -0.05 -0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 58.89 2wsq h GLU 53 Cb 0.45 -0.11 0.02 0.00 0.63 0.00 0.00 28.75 29.73 2wsq h GLU 53 CO 0.08 0.36 -0.98 0.00 -0.73 0.00 0.00 179.01 177.74 2wsq h ARG 54 N 0.52 0.67 -6.22 1.92 2.47 -1.25 -3.43 114.38 109.05 2wsq h ARG 54 Ca 0.14 -0.68 -0.56 0.00 -1.26 0.00 0.00 59.98 57.61 2wsq h ARG 54 Cb -0.04 0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 28.43 2wsq h ARG 54 CO -0.03 1.27 0.97 -1.17 0.56 0.00 0.00 179.97 181.57 2wsq s LEU 55 N -8.10 4.11 0.00 3.04 2.96 0.39 -4.88 118.68 116.20 2wsq s LEU 55 Ca -0.09 1.67 0.00 0.00 -0.22 0.00 0.00 54.13 55.49 2wsq s LEU 55 Cb 0.08 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.23 2wsq s LEU 55 CO 0.91 -0.90 0.34 -1.54 -1.32 0.00 0.00 176.35 173.83 2wsq n SER 56 N 7.10 0.68 -4.73 3.68 3.41 -1.26 -4.87 113.62 117.61 2wsq n SER 56 Ca 0.15 -0.86 -0.42 0.00 -0.26 0.00 0.00 58.87 57.48 2wsq n SER 56 Cb 0.45 0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.61 2wsq n SER 56 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2wsq s HIS 57 N -0.23 2.93 0.26 7.33 5.04 -1.26 -4.88 115.29 124.48 2wsq s HIS 57 Ca 0.00 0.68 0.37 0.00 -1.54 0.00 0.00 55.06 54.57 2wsq s HIS 57 Cb 0.00 -3.99 1.69 0.00 0.04 0.00 0.00 32.58 30.32 2wsq s HIS 57 CO 0.00 -3.52 2.10 -1.00 -2.34 0.00 0.00 174.74 169.98 2wsq h PRO 58 N 5.92 0.00 -0.68 2.88 0.13 -1.97 -2.68 132.00 135.59 2wsq h PRO 58 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2wsq h PRO 58 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wsq h PRO 58 CO 0.86 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.26 2wsq n LYS 59 N -3.07 2.68 -4.75 0.86 5.02 -1.26 -4.90 118.16 112.74 2wsq n LYS 59 Ca -0.00 -2.49 -0.32 0.00 -2.02 0.00 0.00 58.31 53.47 2wsq n LYS 59 Cb 0.23 -1.56 -0.12 0.00 -0.02 0.00 0.00 35.03 33.55 2wsq n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2wsq s PHE 60 N -1.15 2.71 0.20 2.13 0.40 -1.01 -0.18 117.98 121.08 2wsq s PHE 60 Ca 0.46 -0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.68 2wsq s PHE 60 Cb 0.25 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 42.14 2wsq s PHE 60 CO 0.30 0.24 -0.04 0.14 0.70 0.00 0.00 175.22 176.56 2wsq s VAL 61 N -0.83 1.11 -0.11 -0.44 -7.23 -0.77 -4.85 120.40 107.29 2wsq s VAL 61 Ca 0.13 -2.05 -0.05 0.00 -1.81 0.00 0.00 61.98 58.20 2wsq s VAL 61 Cb -0.11 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 2wsq s VAL 61 CO 0.03 -0.48 0.09 -0.63 -0.31 0.00 0.00 175.10 173.80 2wsq s ILE 62 N -3.37 5.11 0.05 -0.62 1.01 -1.26 -1.87 121.20 120.25 2wsq s ILE 62 Ca 0.24 0.06 0.07 0.00 0.00 0.00 0.00 60.65 61.02 2wsq s ILE 62 Cb 0.04 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 2wsq s ILE 62 CO 0.06 0.61 -0.20 0.00 0.00 0.00 0.00 174.94 175.40 2wsq s ALA 63 N -0.92 1.71 0.62 9.38 0.00 -0.72 -3.71 121.76 128.12 2wsq s ALA 63 Ca 0.14 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 51.07 2wsq s ALA 63 Cb -0.12 -0.32 0.08 0.00 0.00 0.00 0.00 23.12 22.76 2wsq s ALA 63 CO 0.03 0.38 0.86 0.00 0.00 0.00 0.00 175.76 177.03 2wsq s ALA 64 N -0.83 3.96 -0.03 0.00 0.00 0.06 -3.95 121.76 120.97 2wsq s ALA 64 Ca 0.07 -1.62 0.02 0.00 0.00 0.00 0.00 51.96 50.43 2wsq s ALA 64 Cb -0.09 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 21.10 2wsq s ALA 64 CO 0.02 -1.03 -0.06 -0.65 0.00 0.00 0.00 175.76 174.04 2wsq s GLN 65 N -4.88 0.80 -1.18 0.00 -0.21 -1.26 -1.06 119.66 111.87 2wsq s GLN 65 Ca 0.61 -0.19 -0.29 0.00 0.02 0.00 0.00 55.36 55.52 2wsq s GLN 65 Cb -0.08 -0.78 0.02 0.00 1.00 0.00 0.00 33.01 33.18 2wsq s GLN 65 CO 0.41 0.02 0.74 0.09 -2.12 0.00 0.00 175.29 174.43 2wsq n ASN 66 N 3.58 -4.72 -4.55 5.90 5.03 -0.49 -4.83 115.26 115.19 2wsq n ASN 66 Ca -0.21 -1.17 -0.42 0.00 0.87 0.00 0.00 54.58 53.65 2wsq n ASN 66 Cb 0.53 -2.47 -0.01 0.00 -1.02 0.00 0.00 39.78 36.81 2wsq n ASN 66 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wsq s ALA 67 N -3.49 3.16 -0.43 5.41 0.00 -1.26 -4.90 121.76 120.24 2wsq s ALA 67 Ca 0.49 -2.69 -0.05 0.00 0.00 0.00 0.00 51.96 49.71 2wsq s ALA 67 Cb -0.23 -4.49 -0.12 0.00 0.00 0.00 0.00 23.12 18.28 2wsq s ALA 67 CO 0.92 -3.34 2.39 0.41 0.00 0.00 0.00 175.76 176.15 2wsq n GLY 68 N 5.86 2.70 3.63 0.00 0.00 -1.26 -4.68 105.19 111.45 2wsq n GLY 68 Ca 0.39 -0.85 -0.04 0.00 0.00 0.00 0.00 46.02 45.52 2wsq n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wsq s ASN 69 N 2.71 -0.11 0.14 1.61 3.04 -1.26 -4.99 114.94 116.08 2wsq s ASN 69 Ca 0.43 0.15 -0.18 0.00 0.04 0.00 0.00 52.86 53.31 2wsq s ASN 69 Cb 0.17 0.13 0.02 0.00 -1.54 0.00 0.00 41.25 40.02 2wsq s ASN 69 CO -0.02 -0.08 1.74 0.00 -3.04 0.00 0.00 177.10 175.70 2wsq h ALA 70 N 2.46 0.32 -0.60 1.71 0.00 -2.00 -1.16 119.26 119.99 2wsq h ALA 70 Ca -0.15 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2wsq h ALA 70 Cb 1.18 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2wsq h ALA 70 CO 0.22 -0.33 0.25 -0.44 0.00 0.00 0.00 179.25 178.95 2wsq h ASP 71 N 0.20 0.79 -0.16 0.00 3.45 -1.97 -1.77 116.42 116.96 2wsq h ASP 71 Ca 0.13 -0.10 0.04 0.00 0.43 0.00 0.00 57.03 57.53 2wsq h ASP 71 Cb 0.12 -0.20 -0.04 0.00 -0.56 0.00 0.00 39.33 38.65 2wsq h ASP 71 CO -0.16 0.70 -0.07 1.23 -1.57 0.00 0.00 179.24 179.38 2wsq h GLY 72 N 0.97 0.07 0.88 2.75 0.00 -1.78 -2.08 103.07 103.88 2wsq h GLY 72 Ca 0.21 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 2wsq h GLY 72 CO -0.02 -0.09 -0.23 1.41 0.00 0.00 0.00 176.54 177.60 2wsq h LEU 80 N -0.05 -0.59 -0.88 3.11 3.38 -0.92 -1.85 115.31 117.50 2wsq h LEU 80 Ca 0.09 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.17 2wsq h LEU 80 Cb 0.18 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 2wsq h LEU 80 CO -0.19 -0.37 0.54 0.00 0.09 0.00 0.00 178.44 178.51 2wsq h ALA 81 N 0.02 1.22 -0.11 1.53 0.00 -1.31 -1.98 119.26 118.63 2wsq h ALA 81 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2wsq h ALA 81 Cb 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wsq h ALA 81 CO 0.03 0.25 -0.74 0.66 0.00 0.00 0.00 179.25 179.46 2wsq h SER 82 N 0.96 0.66 -0.45 0.00 4.64 -1.20 -1.60 113.55 116.56 2wsq h SER 82 Ca 0.39 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2wsq h SER 82 Cb 0.23 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2wsq h SER 82 CO -0.19 1.19 0.30 -0.07 -0.87 0.00 0.00 176.83 177.18 2wsq h LEU 83 N 0.38 0.51 -0.47 5.97 3.38 -0.93 -1.88 115.31 122.27 2wsq h LEU 83 Ca -0.04 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2wsq h LEU 83 Cb 1.34 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 2wsq h LEU 83 CO 0.14 0.37 0.14 0.50 0.09 0.00 0.00 178.44 179.67 2wsq h LYS 84 N 0.61 0.73 0.00 1.13 1.63 -1.39 -1.61 116.57 117.67 2wsq h LYS 84 Ca 0.16 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2wsq h LYS 84 Cb -0.07 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.46 2wsq h LYS 84 CO -0.04 0.71 -0.06 -0.44 -3.45 0.00 0.00 179.45 176.17 2wsq h ASP 85 N 0.62 0.00 0.46 4.20 5.19 -1.16 -2.52 116.42 123.21 2wsq h ASP 85 Ca 0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 2wsq h ASP 85 Cb 0.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.80 2wsq h ASP 85 CO -0.00 0.06 -0.20 0.33 -3.12 0.00 0.00 179.24 176.31 2wsq n PHE 86 N -3.53 0.00 -0.04 4.55 7.35 -0.72 -4.91 117.46 120.15 2wsq n PHE 86 Ca -0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 2wsq n PHE 86 Cb 0.18 -0.23 0.00 0.00 0.35 0.00 0.00 39.48 39.78 2wsq n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2wsq n GLY 87 N 1.37 0.97 3.68 7.13 0.00 -0.95 -5.09 105.19 112.31 2wsq n GLY 87 Ca 0.11 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 2wsq n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wsq s VAL 88 N -2.00 5.21 -0.34 1.61 1.01 -0.65 -4.97 120.40 120.27 2wsq s VAL 88 Ca 0.00 0.72 0.05 0.00 0.00 0.00 0.00 61.98 62.74 2wsq s VAL 88 Cb 0.00 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 2wsq s VAL 88 CO 0.00 0.27 0.33 0.59 0.00 0.00 0.00 175.10 176.30 2wsq n ASN 89 N 4.31 0.58 -4.47 3.32 4.13 -1.26 -3.88 115.26 117.99 2wsq n ASN 89 Ca -0.08 -0.79 -0.30 0.00 1.68 0.00 0.00 54.58 55.08 2wsq n ASN 89 Cb 0.51 0.69 -0.12 0.00 -1.54 0.00 0.00 39.78 39.32 2wsq n ASN 89 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2wsq s TRP 90 N -1.11 2.53 -0.06 3.10 0.52 -1.24 -0.26 118.94 122.41 2wsq s TRP 90 Ca 0.03 -0.27 -0.07 0.00 0.02 0.00 0.00 56.10 55.81 2wsq s TRP 90 Cb 0.04 -1.38 0.02 0.00 -1.15 0.00 0.00 33.47 30.99 2wsq s TRP 90 CO 0.15 0.34 0.19 -1.50 0.02 0.00 0.00 176.95 176.14 2wsq s ILE 91 N -1.06 0.01 -0.10 2.03 2.07 -0.78 -0.76 121.20 122.61 2wsq s ILE 91 Ca 0.17 -0.09 -0.00 0.00 -1.41 0.00 0.00 60.65 59.31 2wsq s ILE 91 Cb -0.11 -0.30 -0.02 0.00 0.13 0.00 0.00 42.46 42.16 2wsq s ILE 91 CO 0.08 -0.05 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.29 2wsq s VAL 92 N -0.11 3.51 -0.26 4.00 1.01 -0.22 -1.06 120.40 127.28 2wsq s VAL 92 Ca -0.02 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 2wsq s VAL 92 Cb -0.02 -2.47 0.04 0.00 0.00 0.00 0.00 36.38 33.93 2wsq s VAL 92 CO 0.01 0.55 -0.07 -0.76 0.00 0.00 0.00 175.10 174.83 2wsq s LEU 93 N -0.21 3.32 -1.39 3.92 1.43 -0.28 -1.40 118.68 124.07 2wsq s LEU 93 Ca 0.02 -1.05 -0.09 0.00 -1.03 0.00 0.00 54.13 51.99 2wsq s LEU 93 Cb -0.13 -1.64 0.08 0.00 0.03 0.00 0.00 46.19 44.53 2wsq s LEU 93 CO 0.03 -0.16 2.34 0.61 0.23 0.00 0.00 176.35 179.39 2wsq n GLY 94 N 4.61 4.79 0.30 -3.19 0.00 -1.26 -1.06 105.19 109.37 2wsq n GLY 94 Ca -0.16 -1.89 -0.07 0.00 0.00 0.00 0.00 46.02 43.90 2wsq n GLY 94 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2wsq h HIS 95 N 5.20 1.06 -0.66 1.61 6.17 -1.90 -2.10 115.15 124.53 2wsq h HIS 95 Ca 0.63 -0.17 0.03 0.00 0.71 0.00 0.00 60.37 61.58 2wsq h HIS 95 Cb 0.44 -0.28 -0.04 0.00 2.52 0.00 0.00 27.41 30.04 2wsq h HIS 95 CO 1.54 0.94 0.40 0.66 0.71 0.00 0.00 177.93 182.18 2wsq h SER 96 N 0.90 0.65 0.25 3.26 4.64 -1.62 0.14 113.55 121.78 2wsq h SER 96 Ca 0.17 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.28 2wsq h SER 96 Cb 0.51 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2wsq h SER 96 CO 0.02 0.45 -0.87 -0.33 -0.87 0.00 0.00 176.83 175.24 2wsq h GLU 97 N 0.79 0.46 0.00 4.77 5.08 -1.86 -2.76 114.58 121.05 2wsq h GLU 97 Ca 0.27 -0.45 -0.12 0.00 -1.00 0.00 0.00 59.36 58.06 2wsq h GLU 97 Cb 0.04 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2wsq h GLU 97 CO -0.11 1.09 -0.55 0.00 -1.00 0.00 0.00 179.01 178.44 2wsq h ARG 98 N 0.28 0.00 -0.08 2.33 3.08 -0.87 -1.10 114.38 118.03 2wsq h ARG 98 Ca -0.07 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 2wsq h ARG 98 Cb 1.49 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.54 2wsq h ARG 98 CO 0.15 0.55 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.47 2wsq h ARG 99 N 0.00 0.17 -0.04 0.04 2.43 -0.70 -1.93 114.38 114.35 2wsq h ARG 99 Ca -0.01 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2wsq h ARG 99 Cb 1.28 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2wsq h ARG 99 CO 0.07 0.56 0.02 0.00 -1.51 0.00 0.00 179.97 179.12 2wsq h ALA 100 N 0.60 0.05 0.20 2.80 0.00 -1.45 -1.58 119.26 119.88 2wsq h ALA 100 Ca 0.02 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.56 2wsq h ALA 100 Cb 0.52 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.32 2wsq h ALA 100 CO 0.01 -0.40 -1.37 1.88 0.00 0.00 0.00 179.25 179.37 2wsq h TYR 101 N -0.04 0.86 0.00 0.00 0.99 -1.31 -3.40 116.97 114.07 2wsq h TYR 101 Ca 0.01 -0.61 0.00 0.00 2.00 0.00 0.00 58.73 60.13 2wsq h TYR 101 Cb 0.10 -0.04 0.00 0.00 1.00 0.00 0.00 36.73 37.79 2wsq h TYR 101 CO -0.04 1.47 0.00 0.66 -0.00 0.00 0.00 178.16 180.25 2wsq n TYR 102 N -3.69 0.00 -2.09 4.88 4.02 -0.77 -5.03 117.16 114.49 2wsq n TYR 102 Ca -0.14 -0.03 -0.04 0.00 -0.01 0.00 0.00 57.90 57.68 2wsq n TYR 102 Cb 1.06 -0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 40.38 2wsq n TYR 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wsq n GLY 103 N -0.03 0.22 3.71 2.72 0.00 -0.60 -4.98 105.19 106.23 2wsq n GLY 103 Ca 0.00 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 2wsq n GLY 103 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wsq s GLU 104 N -4.23 4.31 0.64 1.61 2.12 -0.96 -4.95 118.70 117.23 2wsq s GLU 104 Ca 0.00 2.05 -0.12 0.00 0.36 0.00 0.00 54.97 57.27 2wsq s GLU 104 Cb -0.00 -3.37 -0.02 0.00 0.26 0.00 0.00 34.13 31.00 2wsq s GLU 104 CO 0.00 -0.49 1.04 0.95 -0.54 0.00 0.00 175.26 176.22 2wsq s THR 105 N 1.57 4.37 0.33 -1.70 -4.23 -1.26 -4.29 115.64 110.43 2wsq s THR 105 Ca 0.65 0.82 0.11 0.00 -1.18 0.00 0.00 61.69 62.08 2wsq s THR 105 Cb -0.35 -3.64 0.05 0.00 1.34 0.00 0.00 72.50 69.90 2wsq s THR 105 CO 0.29 -0.96 1.75 0.78 -0.54 0.00 0.00 174.62 175.94 2wsq h ASN 106 N -0.33 0.07 -0.42 3.99 -0.26 -1.97 -2.72 115.58 113.94 2wsq h ASN 106 Ca -0.44 -0.03 -0.07 0.00 -0.56 0.00 0.00 56.30 55.20 2wsq h ASN 106 Cb 1.20 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.43 2wsq h ASN 106 CO 0.60 0.50 -0.02 -0.33 -1.06 0.00 0.00 177.43 177.11 2wsq h GLU 107 N 0.05 0.75 -0.50 0.81 3.07 -1.92 -1.53 114.58 115.31 2wsq h GLU 107 Ca 0.00 -0.25 -0.04 0.00 -0.50 0.00 0.00 59.36 58.57 2wsq h GLU 107 Cb 0.79 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.62 2wsq h GLU 107 CO 0.06 0.84 0.17 0.82 -1.40 0.00 0.00 179.01 179.50 2wsq h ILE 108 N 0.58 1.23 -0.21 3.13 2.04 -1.90 -0.04 117.51 122.34 2wsq h ILE 108 Ca 0.12 -0.75 -0.11 0.00 1.00 0.00 0.00 64.86 65.12 2wsq h ILE 108 Cb 0.52 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2wsq h ILE 108 CO 0.03 0.27 -0.35 1.62 0.00 0.00 0.00 178.15 179.72 2wsq h VAL 109 N 0.68 1.29 0.09 1.67 3.04 -1.39 -1.54 116.25 120.08 2wsq h VAL 109 Ca 0.16 -1.45 -0.00 0.00 -1.01 0.00 0.00 66.70 64.40 2wsq h VAL 109 Cb 0.26 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 2wsq h VAL 109 CO -0.01 0.45 -0.04 0.00 -1.01 0.00 0.00 177.57 176.96 2wsq h ALA 110 N 1.24 -0.12 -0.88 3.17 0.00 -1.00 -0.16 119.26 121.51 2wsq h ALA 110 Ca 0.04 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2wsq h ALA 110 Cb 0.80 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 2wsq h ALA 110 CO 0.06 -0.54 0.49 -0.44 0.00 0.00 0.00 179.25 178.82 2wsq h ASP 111 N -0.18 0.65 -0.22 0.00 3.32 -0.81 -1.72 116.42 117.45 2wsq h ASP 111 Ca -0.01 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 2wsq h ASP 111 Cb 0.15 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2wsq h ASP 111 CO 0.02 0.31 -0.18 0.11 -1.72 0.00 0.00 179.24 177.77 2wsq h LYS 112 N 0.73 0.66 -0.21 3.56 1.57 -0.93 0.05 116.57 122.00 2wsq h LYS 112 Ca 0.46 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 2wsq h LYS 112 Cb 0.58 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2wsq h LYS 112 CO -0.32 0.80 0.06 0.28 -0.57 0.00 0.00 179.45 179.70 2wsq h VAL 113 N 0.59 1.19 -0.44 0.50 2.07 -0.50 0.40 116.25 120.07 2wsq h VAL 113 Ca 0.09 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2wsq h VAL 113 Cb 0.64 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2wsq h VAL 113 CO 0.05 0.19 0.21 0.00 0.02 0.00 0.00 177.57 178.03 2wsq h ALA 114 N 0.89 0.56 -0.40 1.67 0.00 -1.17 0.20 119.26 121.01 2wsq h ALA 114 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2wsq h ALA 114 Cb 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2wsq h ALA 114 CO -0.00 0.13 0.22 0.00 0.00 0.00 0.00 179.25 179.59 2wsq h ALA 115 N 1.05 0.51 -0.37 0.00 0.00 -0.89 -1.27 119.26 118.29 2wsq h ALA 115 Ca 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2wsq h ALA 115 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2wsq h ALA 115 CO -0.02 0.03 0.15 0.00 0.00 0.00 0.00 179.25 179.41 2wsq h ALA 116 N 1.07 0.48 -0.36 0.00 0.00 -0.65 -2.12 119.26 117.68 2wsq h ALA 116 Ca 0.14 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2wsq h ALA 116 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2wsq h ALA 116 CO -0.02 0.08 0.21 0.28 0.00 0.00 0.00 179.25 179.80 2wsq h VAL 117 N 0.45 1.04 0.00 0.00 2.07 -0.83 -1.78 116.25 117.20 2wsq h VAL 117 Ca 0.12 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2wsq h VAL 117 Cb 0.19 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2wsq h VAL 117 CO -0.01 0.08 -0.07 0.00 0.02 0.00 0.00 177.57 177.59 2wsq h ALA 118 N 1.16 1.85 -0.03 1.67 0.00 -1.18 -2.00 119.26 120.73 2wsq h ALA 118 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wsq h ALA 118 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wsq h ALA 118 CO -0.07 0.08 0.00 0.43 0.00 0.00 0.00 179.25 179.70 2wsq n SER 119 N -4.40 0.27 0.00 0.00 7.64 -0.73 -4.91 113.62 111.48 2wsq n SER 119 Ca -0.03 -1.64 0.00 0.00 1.01 0.00 0.00 58.87 58.22 2wsq n SER 119 Cb 0.15 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2wsq n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wsq n GLY 120 N 0.76 0.79 3.94 0.23 0.00 -0.75 -4.95 105.19 105.21 2wsq n GLY 120 Ca 0.10 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2wsq n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wsq s PHE 121 N -2.00 3.49 -0.23 1.61 0.40 -0.82 -4.91 117.98 115.53 2wsq s PHE 121 Ca 0.00 0.36 -0.12 0.00 -0.60 0.00 0.00 56.93 56.57 2wsq s PHE 121 Cb 0.00 -1.89 -0.05 0.00 0.51 0.00 0.00 43.02 41.59 2wsq s PHE 121 CO 0.00 0.19 0.21 -1.64 0.70 0.00 0.00 175.22 174.69 2wsq s MET 122 N -4.03 4.11 -0.16 0.44 -1.94 0.64 -4.39 119.30 113.97 2wsq s MET 122 Ca 0.40 -0.15 -0.00 0.00 -1.71 0.00 0.00 55.69 54.22 2wsq s MET 122 Cb -0.10 -3.53 -0.00 0.00 2.01 0.00 0.00 34.83 33.21 2wsq s MET 122 CO 0.34 0.06 -0.14 0.08 -0.01 0.00 0.00 175.02 175.35 2wsq s VAL 123 N 1.04 2.77 -0.41 -6.03 1.01 -0.19 -1.86 120.40 116.73 2wsq s VAL 123 Ca 0.10 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 2wsq s VAL 123 Cb -0.14 -2.18 0.04 0.00 0.00 0.00 0.00 36.38 34.11 2wsq s VAL 123 CO 0.05 0.51 0.28 -0.63 0.00 0.00 0.00 175.10 175.31 2wsq s ILE 124 N 0.80 4.87 -0.29 2.22 1.01 -0.22 -0.83 121.20 128.75 2wsq s ILE 124 Ca -0.05 -0.93 -0.13 0.00 0.00 0.00 0.00 60.65 59.53 2wsq s ILE 124 Cb -0.15 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 2wsq s ILE 124 CO 0.00 -0.38 0.29 0.00 0.00 0.00 0.00 174.94 174.86 2wsq s ALA 125 N 1.59 3.53 -0.42 9.38 0.00 -0.18 -1.12 121.76 134.54 2wsq s ALA 125 Ca 0.03 -1.03 -0.20 0.00 0.00 0.00 0.00 51.96 50.76 2wsq s ALA 125 Cb -0.21 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.29 2wsq s ALA 125 CO 0.07 -0.72 0.58 0.00 0.00 0.00 0.00 175.76 175.69 2wsq s ILE 127 N 2.60 1.83 0.00 0.00 -4.36 -0.68 -1.69 121.20 118.90 2wsq s ILE 127 Ca 0.20 -1.53 0.00 0.00 -0.26 0.00 0.00 60.65 59.06 2wsq s ILE 127 Cb -0.15 -1.64 0.00 0.00 1.25 0.00 0.00 42.46 41.92 2wsq s ILE 127 CO 0.17 0.03 0.00 0.61 0.24 0.00 0.00 174.94 175.99 2wsq n GLY 128 N 1.20 0.65 3.88 6.27 0.00 -1.26 -1.32 105.19 114.61 2wsq n GLY 128 Ca -0.19 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.86 2wsq n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wsq s GLU 129 N -2.00 2.80 0.94 1.61 1.03 -1.26 -4.76 118.70 117.06 2wsq s GLU 129 Ca 0.00 -1.25 -0.14 0.00 0.03 0.00 0.00 54.97 53.61 2wsq s GLU 129 Cb 0.00 -2.55 0.16 0.00 -0.80 0.00 0.00 34.13 30.95 2wsq s GLU 129 CO 0.00 0.07 1.20 0.95 -1.33 0.00 0.00 175.26 176.14 2wsq s THR 130 N -2.29 1.95 0.15 1.83 -4.23 -1.26 -1.51 115.64 110.28 2wsq s THR 130 Ca 0.42 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.81 2wsq s THR 130 Cb -0.06 -2.85 0.03 0.00 1.34 0.00 0.00 72.50 70.96 2wsq s THR 130 CO 0.28 0.00 1.64 0.25 -0.54 0.00 0.00 174.62 176.25 2wsq h LEU 131 N -1.59 0.80 -1.05 4.79 7.12 -1.97 -1.43 115.31 121.99 2wsq h LEU 131 Ca -0.47 -0.26 -0.03 0.00 0.13 0.00 0.00 57.88 57.25 2wsq h LEU 131 Cb 1.30 -0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 41.18 2wsq h LEU 131 CO 0.52 0.86 0.30 -0.61 -0.13 0.00 0.00 178.44 179.37 2wsq h GLN 132 N 0.72 0.97 -0.28 1.25 4.15 -1.98 0.18 115.11 120.12 2wsq h GLN 132 Ca 0.15 -0.15 -0.18 0.00 0.77 0.00 0.00 58.65 59.25 2wsq h GLN 132 Cb 0.39 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.91 2wsq h GLN 132 CO 0.01 0.77 -0.53 0.93 -1.93 0.00 0.00 178.83 178.08 2wsq h GLU 133 N 0.96 0.86 -0.08 1.69 5.08 -1.91 -1.71 114.58 119.47 2wsq h GLU 133 Ca 0.23 -0.55 -0.10 0.00 -1.00 0.00 0.00 59.36 57.94 2wsq h GLU 133 Cb 0.14 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2wsq h GLU 133 CO -0.03 1.18 -0.40 -0.09 -1.00 0.00 0.00 179.01 178.67 2wsq h ARG 134 N 0.64 0.17 0.54 2.33 9.65 -0.82 0.91 114.38 127.80 2wsq h ARG 134 Ca 0.01 -0.08 -0.03 0.00 -1.10 0.00 0.00 59.98 58.79 2wsq h ARG 134 Cb 1.14 -0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.72 2wsq h ARG 134 CO 0.12 0.55 -0.26 1.49 2.80 0.00 0.00 179.97 184.66 2wsq h GLU 135 N 0.14 -0.70 -0.12 0.20 4.81 -0.41 -2.77 114.58 115.72 2wsq h GLU 135 Ca 0.01 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2wsq h GLU 135 Cb 0.77 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2wsq h GLU 135 CO 0.06 -0.45 0.00 -1.13 -0.73 0.00 0.00 179.01 176.76 2wsq n SER 136 N -5.39 0.12 -3.00 1.04 3.41 -0.66 -4.91 113.62 104.24 2wsq n SER 136 Ca -0.12 -1.77 -0.12 0.00 -0.26 0.00 0.00 58.87 56.60 2wsq n SER 136 Cb 0.31 -0.06 0.06 0.00 -0.26 0.00 0.00 64.21 64.25 2wsq n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wsq n GLY 137 N 0.34 -0.90 0.17 5.00 0.00 -1.05 -4.99 105.19 103.75 2wsq n GLY 137 Ca 0.00 0.46 0.05 0.00 0.00 0.00 0.00 46.02 46.53 2wsq n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wsq n ARG 138 N -2.88 1.11 -0.26 1.61 1.74 0.29 -4.81 116.66 113.47 2wsq n ARG 138 Ca -0.06 -1.79 0.01 0.00 -0.77 0.00 0.00 57.85 55.24 2wsq n ARG 138 Cb 0.59 -1.06 0.13 0.00 -1.02 0.00 0.00 32.46 31.10 2wsq n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2wsq h THR 139 N 2.13 0.93 0.02 0.55 2.02 -1.88 -0.52 112.91 116.16 2wsq h THR 139 Ca 0.00 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 66.95 2wsq h THR 139 Cb 1.02 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 2wsq h THR 139 CO 0.00 0.13 -0.10 0.00 0.37 0.00 0.00 175.52 175.92 2wsq h ALA 140 N 1.40 -0.13 0.23 6.16 0.00 -1.96 -0.57 119.26 124.39 2wsq h ALA 140 Ca 0.35 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2wsq h ALA 140 Cb 0.28 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2wsq h ALA 140 CO -0.22 -0.60 -0.11 0.28 0.00 0.00 0.00 179.25 178.60 2wsq h VAL 141 N -0.19 0.00 -0.81 0.00 2.07 -1.76 -2.12 116.25 113.44 2wsq h VAL 141 Ca 0.03 -0.17 0.15 0.00 0.82 0.00 0.00 66.70 67.53 2wsq h VAL 141 Cb 0.22 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.84 2wsq h VAL 141 CO -0.09 0.00 -0.26 0.58 0.02 0.00 0.00 177.57 177.82 2wsq h VAL 142 N -0.48 0.14 -0.41 2.57 2.07 -1.18 -0.26 116.25 118.71 2wsq h VAL 142 Ca -0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2wsq h VAL 142 Cb 0.24 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2wsq h VAL 142 CO 0.05 0.00 0.16 0.58 0.02 0.00 0.00 177.57 178.39 2wsq h VAL 143 N -0.03 1.20 -0.15 2.57 2.07 -1.13 -2.69 116.25 118.08 2wsq h VAL 143 Ca 0.36 -0.61 -0.15 0.00 0.82 0.00 0.00 66.70 67.13 2wsq h VAL 143 Cb 0.60 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2wsq h VAL 143 CO -0.84 0.22 -0.53 -0.07 0.02 0.00 0.00 177.57 176.36 2wsq h LEU 144 N 0.51 0.49 -0.72 2.57 3.38 -0.62 -2.14 115.31 118.78 2wsq h LEU 144 Ca 0.14 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2wsq h LEU 144 Cb 0.19 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2wsq h LEU 144 CO -0.01 0.93 0.46 0.74 0.09 0.00 0.00 178.44 180.65 2wsq h THR 145 N 0.34 1.14 -0.36 0.22 2.02 -1.03 0.29 112.91 115.53 2wsq h THR 145 Ca 0.01 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 2wsq h THR 145 Cb 1.04 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2wsq h THR 145 CO 0.09 0.17 -0.06 1.56 0.37 0.00 0.00 175.52 177.65 2wsq h GLN 146 N 0.93 0.68 -0.66 6.66 4.20 -1.38 -1.34 115.11 124.19 2wsq h GLN 146 Ca 0.27 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 2wsq h GLN 146 Cb -0.05 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 2wsq h GLN 146 CO -0.08 0.82 0.26 0.97 -0.67 0.00 0.00 178.83 180.13 2wsq h ILE 147 N 0.47 1.23 -0.36 2.54 6.09 -1.10 -2.51 117.51 123.87 2wsq h ILE 147 Ca 0.09 -0.71 -0.01 0.00 -1.37 0.00 0.00 64.86 62.86 2wsq h ILE 147 Cb 0.55 0.44 -0.02 0.00 0.47 0.00 0.00 36.82 38.27 2wsq h ILE 147 CO 0.03 0.29 0.18 0.00 -3.07 0.00 0.00 178.15 175.58 2wsq h ALA 148 N 1.34 0.47 -0.48 0.18 0.00 -0.22 -1.09 119.26 119.46 2wsq h ALA 148 Ca 0.22 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2wsq h ALA 148 Cb 0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2wsq h ALA 148 CO -0.02 0.03 0.21 0.00 0.00 0.00 0.00 179.25 179.46 2wsq h ALA 149 N 1.03 0.60 -0.40 0.00 0.00 -1.12 -1.97 119.26 117.40 2wsq h ALA 149 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wsq h ALA 149 Cb 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2wsq h ALA 149 CO -0.02 -0.16 0.26 0.82 0.00 0.00 0.00 179.25 180.15 2wsq h ILE 150 N 0.41 1.11 -0.46 0.00 2.04 -1.15 -2.67 117.51 116.79 2wsq h ILE 150 Ca 0.22 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2wsq h ILE 150 Cb 0.18 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2wsq h ILE 150 CO -0.19 0.11 0.31 0.00 0.00 0.00 0.00 178.15 178.38 2wsq h ALA 151 N 1.13 1.76 0.00 1.87 0.00 -0.89 -1.46 119.26 121.68 2wsq h ALA 151 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2wsq h ALA 151 Cb -0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2wsq h ALA 151 CO -0.03 0.20 -0.07 0.87 0.00 0.00 0.00 179.25 180.22 2wsq h LYS 152 N 0.55 0.00 -0.22 0.00 1.79 -1.00 -2.58 116.57 115.11 2wsq h LYS 152 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 2wsq h LYS 152 Cb 0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2wsq h LYS 152 CO -0.04 0.07 0.00 1.63 -1.08 0.00 0.00 179.45 180.02 2wsq n LYS 153 N -3.48 1.84 -5.04 3.15 4.01 -0.57 -4.99 118.16 113.08 2wsq n LYS 153 Ca -0.02 -1.74 -0.32 0.00 -0.51 0.00 0.00 58.31 55.72 2wsq n LYS 153 Cb 0.20 -1.30 -0.14 0.00 -0.51 0.00 0.00 35.03 33.27 2wsq n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2wsq s LEU 154 N -1.09 2.47 0.64 -0.35 1.43 -0.98 -4.73 118.68 116.08 2wsq s LEU 154 Ca 0.22 -0.31 -0.09 0.00 -1.03 0.00 0.00 54.13 52.92 2wsq s LEU 154 Cb 0.13 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.88 2wsq s LEU 154 CO 0.19 0.32 1.00 -0.54 0.23 0.00 0.00 176.35 177.55 2wsq s LYS 155 N -0.57 3.01 0.20 1.70 3.01 -1.26 -4.89 119.74 120.94 2wsq s LYS 155 Ca 0.08 0.33 -0.11 0.00 -1.01 0.00 0.00 55.97 55.26 2wsq s LYS 155 Cb -0.11 -2.13 0.14 0.00 -1.01 0.00 0.00 37.83 34.72 2wsq s LYS 155 CO 0.01 -0.82 1.86 -0.22 0.51 0.00 0.00 175.35 176.69 2wsq h LYS 156 N -0.40 0.96 0.00 1.68 3.64 -1.97 -1.45 116.57 119.03 2wsq h LYS 156 Ca -0.45 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 58.82 2wsq h LYS 156 Cb 1.24 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2wsq h LYS 156 CO 0.62 0.67 -0.15 0.00 -2.27 0.00 0.00 179.45 178.32 2wsq h ALA 157 N 1.24 1.19 -0.01 5.00 0.00 -2.01 -2.86 119.26 121.81 2wsq h ALA 157 Ca 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2wsq h ALA 157 Cb -0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2wsq h ALA 157 CO -0.05 0.19 0.01 -0.44 0.00 0.00 0.00 179.25 178.95 2wsq h ASP 158 N 0.00 0.00 0.89 0.00 3.32 -1.64 -2.73 116.42 116.27 2wsq h ASP 158 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 2wsq h ASP 158 Cb 0.46 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2wsq h ASP 158 CO 0.02 0.00 -0.23 -0.50 -1.72 0.00 0.00 179.24 176.81 2wsq h TRP 159 N 0.00 0.00 0.00 4.55 4.06 -1.59 -0.65 115.95 122.32 2wsq h TRP 159 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.94 2wsq h TRP 159 Cb 0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.17 2wsq h TRP 159 CO 0.00 0.23 -0.07 0.00 -3.56 0.00 0.00 178.44 175.04 2wsq h ALA 160 N 1.77 1.42 -0.35 1.49 0.00 -1.68 -2.31 119.26 119.61 2wsq h ALA 160 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wsq h ALA 160 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2wsq h ALA 160 CO 0.03 0.09 0.00 1.63 0.00 0.00 0.00 179.25 181.00 2wsq n LYS 161 N -3.79 2.31 -4.71 0.00 4.76 -0.26 -4.96 118.16 111.51 2wsq n LYS 161 Ca -0.02 -1.97 -0.32 0.00 -2.87 0.00 0.00 58.31 53.12 2wsq n LYS 161 Cb 0.17 -1.48 -0.12 0.00 -1.84 0.00 0.00 35.03 31.76 2wsq n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wsq s VAL 162 N -1.55 3.14 -0.05 -0.18 1.01 -0.87 -1.02 120.40 120.88 2wsq s VAL 162 Ca 0.37 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2wsq s VAL 162 Cb 0.21 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 34.32 2wsq s VAL 162 CO 0.30 0.47 -0.07 -0.69 0.00 0.00 0.00 175.10 175.11 2wsq s VAL 163 N -0.86 0.70 -0.17 2.92 1.01 -0.01 -4.64 120.40 119.36 2wsq s VAL 163 Ca 0.14 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 61.75 2wsq s VAL 163 Cb -0.11 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 2wsq s VAL 163 CO 0.04 0.25 0.26 -0.63 0.00 0.00 0.00 175.10 175.02 2wsq s ILE 164 N 0.73 5.32 -0.25 2.22 -1.09 -0.93 -1.01 121.20 126.19 2wsq s ILE 164 Ca -0.11 0.48 -0.03 0.00 -2.23 0.00 0.00 60.65 58.76 2wsq s ILE 164 Cb -0.14 -3.60 0.02 0.00 -1.58 0.00 0.00 42.46 37.15 2wsq s ILE 164 CO 0.01 0.39 -0.03 0.00 -1.23 0.00 0.00 174.94 174.08 2wsq s ALA 165 N 0.50 2.79 -0.74 9.38 0.00 -0.03 0.49 121.76 134.16 2wsq s ALA 165 Ca 0.15 -1.40 -0.25 0.00 0.00 0.00 0.00 51.96 50.46 2wsq s ALA 165 Cb -0.13 -1.78 0.05 0.00 0.00 0.00 0.00 23.12 21.27 2wsq s ALA 165 CO 0.03 -0.76 1.16 -0.47 0.00 0.00 0.00 175.76 175.73 2wsq s TYR 166 N 1.39 2.48 -0.69 0.00 5.04 0.15 -1.68 117.35 124.04 2wsq s TYR 166 Ca 0.02 -0.35 0.03 0.00 -2.44 0.00 0.00 57.07 54.33 2wsq s TYR 166 Cb -0.16 -4.49 0.17 0.00 0.35 0.00 0.00 41.96 37.82 2wsq s TYR 166 CO -0.03 -1.88 0.49 -2.00 -1.34 0.00 0.00 175.55 170.78 2wsq s GLU 167 N 4.92 2.51 0.29 4.97 2.12 -0.43 -1.86 118.70 131.22 2wsq s GLU 167 Ca 0.31 -3.10 -0.29 0.00 0.36 0.00 0.00 54.97 52.24 2wsq s GLU 167 Cb -0.11 -3.52 -0.10 0.00 0.26 0.00 0.00 34.13 30.66 2wsq s GLU 167 CO 0.10 -1.23 1.41 -1.25 -0.54 0.00 0.00 175.26 173.75 2wsq s PRO 168 N -1.06 4.27 0.27 4.30 0.04 -1.26 -4.35 135.00 137.22 2wsq s PRO 168 Ca 0.23 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.58 2wsq s PRO 168 Cb -0.11 -3.08 0.52 0.00 0.04 0.00 0.00 34.50 31.87 2wsq s PRO 168 CO -0.11 -0.36 1.83 0.28 0.04 0.00 0.00 177.00 178.68 2wsq h VAL 169 N 3.30 0.92 0.00 -0.36 2.07 -1.58 -1.04 116.25 119.55 2wsq h VAL 169 Ca -0.48 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2wsq h VAL 169 Cb 1.22 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2wsq h VAL 169 CO 0.72 0.17 0.00 4.11 0.02 0.00 0.00 177.57 182.59 2wsq h TRP 170 N 0.96 0.00 -0.01 1.57 5.08 -1.87 -1.97 115.95 119.71 2wsq h TRP 170 Ca 0.48 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.45 2wsq h TRP 170 Cb 0.46 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.62 2wsq h TRP 170 CO -0.02 0.00 -0.46 0.00 -1.28 0.00 0.00 178.44 176.68 2wsq n ALA 171 N -1.90 3.52 -2.75 0.11 0.00 -0.40 -4.58 120.51 114.51 2wsq n ALA 171 Ca -0.00 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.53 2wsq n ALA 171 Cb 0.15 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 2wsq n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wsq s ILE 172 N -2.65 4.13 -1.38 0.00 1.01 -0.74 -0.91 121.20 120.65 2wsq s ILE 172 Ca 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.65 2wsq s ILE 172 Cb 0.18 -4.78 0.00 0.00 0.01 0.00 0.00 42.46 37.88 2wsq s ILE 172 CO 0.61 -1.61 0.20 0.61 0.00 0.00 0.00 174.94 174.76 2wsq n GLY 173 N 5.40 -0.32 0.00 6.18 0.00 -1.26 -4.90 105.19 110.29 2wsq n GLY 173 Ca 0.01 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.94 2wsq n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wsq n THR 174 N -4.13 0.00 -0.99 2.61 -2.24 -1.26 -5.00 114.28 103.27 2wsq n THR 174 Ca -0.16 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2wsq n THR 174 Cb 0.63 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 2wsq n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wsq n GLY 175 N 1.12 0.88 3.62 3.38 0.00 -1.26 -5.03 105.19 107.91 2wsq n GLY 175 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2wsq n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wsq s LYS 176 N -0.04 4.02 -0.01 1.61 1.02 -1.26 -5.05 119.74 120.03 2wsq s LYS 176 Ca 0.00 -0.18 0.07 0.00 0.02 0.00 0.00 55.97 55.88 2wsq s LYS 176 Cb 0.00 -3.61 -0.02 0.00 -0.52 0.00 0.00 37.83 33.68 2wsq s LYS 176 CO 0.00 -0.11 -0.24 0.08 -0.92 0.00 0.00 175.35 174.17 2wsq s VAL 177 N 1.55 1.88 0.40 3.17 1.01 -1.26 -4.21 120.40 122.93 2wsq s VAL 177 Ca 0.10 -1.03 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 2wsq s VAL 177 Cb -0.15 -1.56 -0.09 0.00 0.00 0.00 0.00 36.38 34.58 2wsq s VAL 177 CO 0.08 0.51 1.32 0.00 0.00 0.00 0.00 175.10 177.02 2wsq s ALA 178 N -0.57 3.30 0.62 5.51 0.00 -1.26 -4.99 121.76 124.36 2wsq s ALA 178 Ca 0.09 1.27 -0.14 0.00 0.00 0.00 0.00 51.96 53.19 2wsq s ALA 178 Cb -0.09 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 2wsq s ALA 178 CO -0.01 -0.85 1.05 0.95 0.00 0.00 0.00 175.76 176.90 2wsq s THR 179 N -1.24 3.92 0.64 0.00 -4.23 -1.26 -4.79 115.64 108.68 2wsq s THR 179 Ca 0.56 0.81 0.29 0.00 -1.18 0.00 0.00 61.69 62.17 2wsq s THR 179 Cb -0.39 -3.41 0.29 0.00 1.34 0.00 0.00 72.50 70.33 2wsq s THR 179 CO 0.51 -0.64 1.87 -0.65 -0.54 0.00 0.00 174.62 175.17 2wsq h PRO 180 N 0.06 0.00 0.05 3.99 0.11 -1.94 0.23 132.00 134.50 2wsq h PRO 180 Ca -0.46 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.30 2wsq h PRO 180 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 2wsq h PRO 180 CO 0.57 0.00 -2.10 0.94 -0.21 0.00 0.00 178.00 177.21 2wsq n GLN 181 N -2.84 0.69 0.00 1.05 0.00 -1.26 -3.22 117.38 111.80 2wsq n GLN 181 Ca -0.02 0.20 0.11 0.00 -0.00 0.00 0.00 57.00 57.29 2wsq n GLN 181 Cb 0.39 -1.66 0.52 0.00 0.00 0.00 0.00 30.24 29.49 2wsq n GLN 181 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 2wsq n GLN 182 N -3.21 0.13 -0.10 3.69 7.27 0.72 -1.98 117.38 123.90 2wsq n GLN 182 Ca -0.31 0.10 -0.13 0.00 0.07 0.00 0.00 57.00 56.72 2wsq n GLN 182 Cb 1.05 -1.50 -0.09 0.00 2.41 0.00 0.00 30.24 32.12 2wsq n GLN 182 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2wsq n ALA 183 N -1.42 1.59 -0.20 1.69 0.00 -0.68 -4.27 120.51 117.22 2wsq n ALA 183 Ca 0.08 -0.81 0.10 0.00 0.00 0.00 0.00 53.44 52.81 2wsq n ALA 183 Cb 0.23 0.06 0.40 0.00 0.00 0.00 0.00 19.45 20.15 2wsq n ALA 183 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2wsq h GLN 184 N -0.01 0.62 0.44 0.00 5.75 -1.50 -1.21 115.11 119.20 2wsq h GLN 184 Ca -0.42 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.02 2wsq h GLN 184 Cb 1.66 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 30.07 2wsq h GLN 184 CO -0.07 0.41 -0.21 1.05 -2.65 0.00 0.00 178.83 177.36 2wsq h GLU 185 N 0.64 -0.57 0.00 1.69 4.11 -1.61 0.23 114.58 119.08 2wsq h GLU 185 Ca 0.37 0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.78 2wsq h GLU 185 Cb 0.55 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2wsq h GLU 185 CO -0.14 -0.26 -0.28 1.15 0.07 0.00 0.00 179.01 179.55 2wsq h THR 186 N -0.90 1.17 -0.27 -1.06 2.02 -1.71 -1.16 112.91 111.00 2wsq h THR 186 Ca -0.06 -0.97 -0.05 0.00 0.77 0.00 0.00 66.41 66.11 2wsq h THR 186 Cb 0.57 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 2wsq h THR 186 CO 0.10 0.27 -0.01 0.45 0.37 0.00 0.00 175.52 176.70 2wsq h HIS 187 N 0.00 0.54 -0.75 3.16 3.86 -1.12 -2.14 115.15 118.69 2wsq h HIS 187 Ca -0.00 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.07 2wsq h HIS 187 Cb 0.50 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.80 2wsq h HIS 187 CO 0.00 0.65 0.30 0.00 0.86 0.00 0.00 177.93 179.73 2wsq h ALA 188 N 0.82 1.11 -0.86 2.45 0.00 -0.02 -1.43 119.26 121.32 2wsq h ALA 188 Ca 0.08 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2wsq h ALA 188 Cb 0.44 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2wsq h ALA 188 CO 0.02 0.64 0.55 1.25 0.00 0.00 0.00 179.25 181.70 2wsq h LEU 189 N 1.09 0.91 -0.02 0.00 5.85 -1.22 -1.78 115.31 120.13 2wsq h LEU 189 Ca 0.25 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 2wsq h LEU 189 Cb 0.21 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2wsq h LEU 189 CO -0.02 0.62 -0.07 0.40 -0.34 0.00 0.00 178.44 179.04 2wsq h ILE 190 N 1.06 1.46 -0.86 4.05 2.04 -0.88 -2.66 117.51 121.73 2wsq h ILE 190 Ca 0.34 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.74 2wsq h ILE 190 Cb 0.02 2.39 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 2wsq h ILE 190 CO -0.12 0.39 0.56 -0.09 0.00 0.00 0.00 178.15 178.89 2wsq h ARG 191 N -0.48 1.15 -0.28 2.37 2.43 -1.25 -1.29 114.38 117.03 2wsq h ARG 191 Ca -0.00 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 58.94 2wsq h ARG 191 Cb 0.67 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2wsq h ARG 191 CO 0.01 0.77 -0.41 0.66 -1.51 0.00 0.00 179.97 179.50 2wsq h SER 192 N 1.18 0.85 0.21 -3.80 4.64 -1.35 0.32 113.55 115.59 2wsq h SER 192 Ca 0.32 -0.51 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 2wsq h SER 192 Cb -0.11 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.74 2wsq h SER 192 CO -0.07 1.19 -0.10 -0.25 -0.87 0.00 0.00 176.83 176.74 2wsq h TRP 193 N 0.53 -0.26 -0.63 4.77 7.01 -1.25 -0.84 115.95 125.29 2wsq h TRP 193 Ca 0.03 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.10 2wsq h TRP 193 Cb 1.00 0.09 -0.06 0.00 -2.10 0.00 0.00 29.16 28.08 2wsq h TRP 193 CO 0.08 -0.15 0.30 0.28 -2.79 0.00 0.00 178.44 176.15 2wsq h VAL 194 N -0.29 0.87 -0.38 2.65 2.07 -1.18 0.17 116.25 120.16 2wsq h VAL 194 Ca -0.03 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.36 2wsq h VAL 194 Cb 0.22 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 2wsq h VAL 194 CO 0.05 0.10 0.10 -1.28 0.02 0.00 0.00 177.57 176.56 2wsq h SER 195 N 0.53 0.07 1.53 0.57 0.87 -0.52 0.36 113.55 116.96 2wsq h SER 195 Ca 0.30 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 2wsq h SER 195 Cb 0.29 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2wsq h SER 195 CO -0.24 0.07 -0.48 0.77 -0.53 0.00 0.00 176.83 176.43 2wsq h SER 196 N 0.24 0.00 0.24 6.23 4.64 -0.74 -1.63 113.55 122.52 2wsq h SER 196 Ca 0.18 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.16 2wsq h SER 196 Cb 0.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.24 2wsq h SER 196 CO -0.21 0.06 -2.00 0.29 -0.87 0.00 0.00 176.83 174.09 2wsq n LYS 197 N -2.94 0.68 -0.02 4.77 4.76 0.55 -4.76 118.16 121.21 2wsq n LYS 197 Ca 0.02 0.22 -0.02 0.00 -2.87 0.00 0.00 58.31 55.65 2wsq n LYS 197 Cb 0.57 -1.69 -0.02 0.00 -1.84 0.00 0.00 35.03 32.04 2wsq n LYS 197 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2wsq n ILE 198 N -3.16 0.24 0.00 -0.18 2.08 0.12 -5.06 119.36 113.40 2wsq n ILE 198 Ca -0.28 -0.11 0.00 0.00 0.56 0.00 0.00 62.75 62.92 2wsq n ILE 198 Cb 1.06 -0.76 0.00 0.00 -0.75 0.00 0.00 39.64 39.19 2wsq n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wsq n GLY 199 N 3.09 4.30 0.16 7.39 0.00 -0.62 -4.88 105.19 114.63 2wsq n GLY 199 Ca -0.07 -1.17 -0.05 0.00 0.00 0.00 0.00 46.02 44.73 2wsq n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsq h ALA 200 N 0.00 0.84 -0.52 4.61 0.00 -1.86 -2.13 119.26 120.20 2wsq h ALA 200 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.23 2wsq h ALA 200 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2wsq h ALA 200 CO 0.00 0.76 -0.12 0.38 0.00 0.00 0.00 179.25 180.27 2wsq h ASP 201 N 0.13 0.99 -0.24 0.00 2.03 -1.92 -1.91 116.42 115.50 2wsq h ASP 201 Ca -0.01 -0.33 -0.14 0.00 -0.73 0.00 0.00 57.03 55.82 2wsq h ASP 201 Cb 1.15 -0.27 -0.00 0.00 -0.83 0.00 0.00 39.33 39.38 2wsq h ASP 201 CO 0.09 1.11 -0.41 0.58 -1.03 0.00 0.00 179.24 179.58 2wsq h VAL 202 N 0.88 1.31 -0.17 4.15 2.07 -1.89 -2.93 116.25 119.67 2wsq h VAL 202 Ca 0.14 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 2wsq h VAL 202 Cb 0.67 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2wsq h VAL 202 CO 0.05 0.51 0.05 0.00 0.02 0.00 0.00 177.57 178.20 2wsq h ALA 203 N 0.64 0.22 -0.44 1.67 0.00 -1.30 -1.69 119.26 118.37 2wsq h ALA 203 Ca 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2wsq h ALA 203 Cb 1.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2wsq h ALA 203 CO 0.09 -0.16 0.16 0.78 0.00 0.00 0.00 179.25 180.12 2wsq h GLY 204 N 0.09 0.67 1.98 0.00 0.00 -1.43 -2.99 103.07 101.39 2wsq h GLY 204 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2wsq h GLY 204 CO -0.00 0.31 -0.02 0.83 0.00 0.00 0.00 176.54 177.66 2wsq h GLU 205 N 0.62 0.00 -6.24 4.80 3.07 -1.31 -3.40 114.58 112.13 2wsq h GLU 205 Ca 0.15 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.46 2wsq h GLU 205 Cb 0.15 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 2wsq h GLU 205 CO -0.01 0.00 1.03 -1.17 -1.40 0.00 0.00 179.01 177.45 2wsq s LEU 206 N -6.08 4.29 -0.10 1.33 2.96 -0.65 -4.78 118.68 115.64 2wsq s LEU 206 Ca 0.07 2.09 -0.30 0.00 -0.22 0.00 0.00 54.13 55.78 2wsq s LEU 206 Cb 0.06 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 2wsq s LEU 206 CO 0.67 -0.87 1.04 -0.13 -1.32 0.00 0.00 176.35 175.73 2wsq s ARG 207 N 3.80 4.41 -0.39 1.98 3.00 -1.26 -4.93 118.95 125.55 2wsq s ARG 207 Ca 0.68 1.43 0.03 0.00 0.00 0.00 0.00 55.73 57.87 2wsq s ARG 207 Cb -0.30 -3.55 0.11 0.00 0.00 0.00 0.00 34.95 31.21 2wsq s ARG 207 CO 0.25 -0.34 0.12 0.42 0.00 0.00 0.00 175.30 175.76 2wsq s ILE 208 N 2.06 2.54 0.45 1.52 1.01 -1.26 -2.19 121.20 125.32 2wsq s ILE 208 Ca 0.49 -2.50 -0.17 0.00 0.00 0.00 0.00 60.65 58.48 2wsq s ILE 208 Cb -0.19 -2.82 -0.09 0.00 0.01 0.00 0.00 42.46 39.37 2wsq s ILE 208 CO 0.18 -0.66 0.91 -0.76 0.00 0.00 0.00 174.94 174.61 2wsq s LEU 209 N 0.69 3.81 -0.12 2.97 1.43 0.18 -2.05 118.68 125.58 2wsq s LEU 209 Ca 0.12 1.49 -0.04 0.00 -1.03 0.00 0.00 54.13 54.67 2wsq s LEU 209 Cb -0.21 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.60 2wsq s LEU 209 CO -0.06 -0.44 0.04 -0.47 0.23 0.00 0.00 176.35 175.65 2wsq s TYR 210 N -2.37 3.25 0.06 0.29 5.04 -0.81 0.32 117.35 123.12 2wsq s TYR 210 Ca 0.58 0.18 0.03 0.00 -2.44 0.00 0.00 57.07 55.41 2wsq s TYR 210 Cb -0.10 -1.91 -0.03 0.00 0.35 0.00 0.00 41.96 40.27 2wsq s TYR 210 CO 0.24 0.39 -0.09 0.20 -1.34 0.00 0.00 175.55 174.95 2wsq s GLY 211 N -0.45 0.62 0.00 8.97 0.00 -0.78 -1.45 107.32 114.23 2wsq s GLY 211 Ca 0.09 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.92 2wsq s GLY 211 CO 0.02 -0.94 0.00 0.61 0.00 0.00 0.00 173.10 172.79 2wsq n GLY 212 N 1.23 2.35 2.41 0.20 0.00 -1.24 -3.99 105.19 106.15 2wsq n GLY 212 Ca -0.21 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 2wsq n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wsq n SER 213 N 0.00 -5.44 -4.78 1.61 7.64 -0.08 -4.55 113.62 108.02 2wsq n SER 213 Ca 0.00 0.11 -0.37 0.00 1.01 0.00 0.00 58.87 59.62 2wsq n SER 213 Cb 0.00 -4.52 -0.02 0.00 -1.01 0.00 0.00 64.21 58.65 2wsq n SER 213 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2wsq s VAL 214 N -2.89 3.41 0.28 0.44 1.01 -1.26 -4.72 120.40 116.68 2wsq s VAL 214 Ca 0.00 1.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.97 2wsq s VAL 214 Cb 0.00 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 2wsq s VAL 214 CO 0.00 -0.02 0.41 0.54 0.00 0.00 0.00 175.10 176.03 2wsq s ASN 215 N -1.49 0.42 0.64 3.32 2.20 -1.26 -4.52 114.94 114.26 2wsq s ASN 215 Ca 0.62 -1.27 0.36 0.00 -0.94 0.00 0.00 52.86 51.63 2wsq s ASN 215 Cb -0.25 0.59 2.01 0.00 -2.00 0.00 0.00 41.25 41.59 2wsq s ASN 215 CO 0.31 -1.16 2.19 1.23 -2.94 0.00 0.00 177.10 176.72 2wsq h GLY 216 N 2.25 0.00 1.12 0.45 0.00 -1.93 -2.05 103.07 102.91 2wsq h GLY 216 Ca -0.29 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.71 2wsq h GLY 216 CO 0.40 0.00 -1.61 0.50 0.00 0.00 0.00 176.54 175.83 2wsq h LYS 217 N 0.00 0.38 0.00 4.80 1.79 -1.96 -3.39 116.57 118.20 2wsq h LYS 217 Ca 0.02 -0.65 -0.03 0.00 -2.18 0.00 0.00 60.65 57.81 2wsq h LYS 217 Cb 0.29 0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2wsq h LYS 217 CO -0.00 1.28 -1.52 0.27 -1.08 0.00 0.00 179.45 178.41 2wsq n ASN 218 N -3.58 0.45 -0.25 0.86 0.23 -1.06 -4.54 115.26 107.37 2wsq n ASN 218 Ca -0.20 0.18 -0.02 0.00 -0.53 0.00 0.00 54.58 54.01 2wsq n ASN 218 Cb 1.07 1.12 0.04 0.00 -2.08 0.00 0.00 39.78 39.94 2wsq n ASN 218 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wsq h ALA 219 N 1.92 0.17 -0.51 -2.53 0.00 -1.57 -2.45 119.26 114.29 2wsq h ALA 219 Ca -0.03 0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.21 2wsq h ALA 219 Cb 1.09 0.76 -0.10 0.00 0.00 0.00 0.00 17.79 19.53 2wsq h ALA 219 CO 0.00 -0.58 -0.19 -0.09 0.00 0.00 0.00 179.25 178.39 2wsq h ARG 220 N -0.08 -0.07 -0.03 0.00 1.12 -1.80 -1.68 114.38 111.84 2wsq h ARG 220 Ca 0.30 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 59.15 2wsq h ARG 220 Cb 0.56 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.54 2wsq h ARG 220 CO -0.77 -0.05 -0.08 1.79 -3.11 0.00 0.00 179.97 177.76 2wsq h THR 221 N -0.07 1.46 -0.66 0.20 1.35 -1.74 -3.07 112.91 110.38 2wsq h THR 221 Ca 0.24 -1.48 0.09 0.00 -0.55 0.00 0.00 66.41 64.72 2wsq h THR 221 Cb 0.45 2.38 -0.07 0.00 -1.73 0.00 0.00 68.15 69.18 2wsq h THR 221 CO -0.57 0.40 0.30 -0.07 -0.25 0.00 0.00 175.52 175.33 2wsq h LEU 222 N -0.46 0.36 -2.00 3.87 3.38 -1.34 -1.99 115.31 117.13 2wsq h LEU 222 Ca -0.00 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wsq h LEU 222 Cb 0.69 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2wsq h LEU 222 CO 0.02 0.21 -0.01 0.22 0.09 0.00 0.00 178.44 178.97 2wsq h TYR 223 N 0.52 0.00 0.00 1.13 3.20 -1.31 -2.23 116.97 118.28 2wsq h TYR 223 Ca 0.33 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 2wsq h TYR 223 Cb 0.36 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 2wsq h TYR 223 CO -0.13 0.01 -0.02 1.96 -1.64 0.00 0.00 178.16 178.33 2wsq h GLN 224 N 0.00 0.00 -6.94 1.82 4.20 -1.25 -3.44 115.11 109.50 2wsq h GLN 224 Ca -0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 2wsq h GLN 224 Cb 0.01 0.00 0.14 0.00 0.30 0.00 0.00 27.48 27.93 2wsq h GLN 224 CO 0.00 0.02 0.49 1.04 -0.67 0.00 0.00 178.83 179.71 2wsq n GLN 225 N -3.26 1.61 0.06 1.46 1.13 -0.84 -4.92 117.38 112.62 2wsq n GLN 225 Ca -0.02 0.59 -0.05 0.00 -1.94 0.00 0.00 57.00 55.58 2wsq n GLN 225 Cb 0.16 -2.45 0.13 0.00 0.11 0.00 0.00 30.24 28.20 2wsq n GLN 225 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 2wsq h ARG 226 N 1.43 0.34 -0.44 -1.09 2.43 -1.88 -3.21 114.38 111.95 2wsq h ARG 226 Ca -0.50 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 58.42 2wsq h ARG 226 Cb 1.31 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.85 2wsq h ARG 226 CO 0.57 0.78 0.04 -0.25 -1.51 0.00 0.00 179.97 179.60 2wsq n ASP 227 N -3.95 4.50 -4.56 -3.80 8.00 -1.26 -4.91 116.55 110.57 2wsq n ASP 227 Ca -0.02 -3.09 -0.36 0.00 0.71 0.00 0.00 54.79 52.03 2wsq n ASP 227 Cb 0.56 -0.63 -0.11 0.00 -0.02 0.00 0.00 41.12 40.92 2wsq n ASP 227 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wsq s VAL 228 N -2.88 4.71 -0.14 2.53 1.01 -1.22 -4.69 120.40 119.72 2wsq s VAL 228 Ca 0.48 -0.05 0.17 0.00 0.00 0.00 0.00 61.98 62.59 2wsq s VAL 228 Cb 0.39 -3.17 0.32 0.00 0.00 0.00 0.00 36.38 33.92 2wsq s VAL 228 CO 0.11 0.38 1.20 0.59 0.00 0.00 0.00 175.10 177.38 2wsq n ASN 229 N 4.29 2.64 0.00 3.32 4.13 -0.87 -4.87 115.26 123.91 2wsq n ASN 229 Ca -0.16 -2.99 0.00 0.00 1.68 0.00 0.00 54.58 53.11 2wsq n ASN 229 Cb 0.52 -0.42 0.00 0.00 -1.54 0.00 0.00 39.78 38.33 2wsq n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wsq n GLY 230 N -1.17 0.62 3.15 7.41 0.00 -1.26 -1.10 105.19 112.84 2wsq n GLY 230 Ca 0.16 -1.63 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 2wsq n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wsq s PHE 231 N -3.35 0.03 -0.24 1.61 0.08 -0.04 -1.92 117.98 114.16 2wsq s PHE 231 Ca 0.00 -0.16 -0.04 0.00 0.12 0.00 0.00 56.93 56.84 2wsq s PHE 231 Cb 0.00 -0.03 -0.00 0.00 -0.57 0.00 0.00 43.02 42.41 2wsq s PHE 231 CO 0.00 -0.35 -0.01 -1.17 -0.10 0.00 0.00 175.22 173.58 2wsq s LEU 232 N -1.67 3.15 -0.08 -0.37 2.96 -0.53 -0.63 118.68 121.50 2wsq s LEU 232 Ca -0.11 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.34 2wsq s LEU 232 Cb -0.05 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.88 2wsq s LEU 232 CO -0.00 -0.07 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.08 2wsq s VAL 233 N 1.47 1.66 0.00 1.68 1.01 0.11 -3.67 120.40 122.66 2wsq s VAL 233 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2wsq s VAL 233 Cb -0.15 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.77 2wsq s VAL 233 CO -0.02 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2wsq n GLY 234 N 3.65 -0.02 0.26 4.51 0.00 -1.26 -0.25 105.19 112.07 2wsq n GLY 234 Ca -0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.83 2wsq n GLY 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wsq h GLY 235 N 0.00 0.65 2.00 -0.02 0.00 -1.92 0.10 103.07 103.89 2wsq h GLY 235 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2wsq h GLY 235 CO 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 176.54 176.28 2wsq n ALA 236 N -2.98 1.33 1.02 3.60 0.00 -1.26 -2.49 120.51 119.72 2wsq n ALA 236 Ca 0.10 0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.83 2wsq n ALA 236 Cb 0.39 -1.34 0.55 0.00 0.00 0.00 0.00 19.45 19.05 2wsq n ALA 236 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wsq n SER 237 N -2.24 0.10 -0.68 0.00 3.41 0.36 -3.08 113.62 111.50 2wsq n SER 237 Ca 0.00 0.32 0.05 0.00 -0.26 0.00 0.00 58.87 58.99 2wsq n SER 237 Cb 0.12 -0.34 0.16 0.00 -0.26 0.00 0.00 64.21 63.89 2wsq n SER 237 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wsq n LEU 238 N -1.49 1.96 -4.24 1.04 7.99 -1.04 -4.90 117.00 116.32 2wsq n LEU 238 Ca 0.07 -0.98 -0.16 0.00 -0.01 0.00 0.00 56.01 54.93 2wsq n LEU 238 Cb 0.34 -0.26 -0.10 0.00 -0.11 0.00 0.00 43.42 43.29 2wsq n LEU 238 CO 0.28 0.47 -0.43 -0.54 -1.51 0.00 0.00 177.39 175.67 2wsq s LYS 239 N -1.55 1.04 0.63 3.23 1.02 -1.18 -5.03 119.74 117.90 2wsq s LYS 239 Ca 0.24 -1.35 0.35 0.00 0.02 0.00 0.00 55.97 55.23 2wsq s LYS 239 Cb 0.13 -0.74 2.01 0.00 -0.52 0.00 0.00 37.83 38.71 2wsq s LYS 239 CO 0.15 0.12 2.24 -1.00 -0.92 0.00 0.00 175.35 175.94 2wsq h PRO 240 N 3.12 0.00 0.00 -1.68 0.13 -1.92 -2.16 132.00 129.49 2wsq h PRO 240 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2wsq h PRO 240 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2wsq h PRO 240 CO 0.58 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.50 2wsq n GLU 241 N -3.47 0.11 -0.28 0.86 0.28 -1.26 -1.63 120.64 115.24 2wsq n GLU 241 Ca -0.02 0.49 0.09 0.00 -0.16 0.00 0.00 57.16 57.56 2wsq n GLU 241 Cb 0.15 -1.77 0.33 0.00 1.43 0.00 0.00 31.44 31.57 2wsq n GLU 241 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2wsq h PHE 242 N 0.00 0.90 -0.87 -1.84 3.57 -1.47 0.13 116.94 117.35 2wsq h PHE 242 Ca 0.00 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.67 2wsq h PHE 242 Cb 0.14 -0.29 -0.09 0.00 2.79 0.00 0.00 35.95 38.50 2wsq h PHE 242 CO 0.00 0.38 0.47 0.28 -2.23 0.00 0.00 178.31 177.20 2wsq h VAL 243 N 0.80 0.75 -0.41 1.41 2.07 -1.56 0.13 116.25 119.44 2wsq h VAL 243 Ca 0.43 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.70 2wsq h VAL 243 Cb 0.55 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2wsq h VAL 243 CO -0.19 0.12 0.15 0.44 0.02 0.00 0.00 177.57 178.11 2wsq h ASP 244 N 0.67 0.57 -0.30 0.57 3.32 -0.95 -1.84 116.42 118.45 2wsq h ASP 244 Ca 0.47 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 57.38 2wsq h ASP 244 Cb 0.65 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 2wsq h ASP 244 CO -0.35 0.60 0.05 0.40 -1.72 0.00 0.00 179.24 178.22 2wsq h ILE 245 N 0.51 0.84 0.15 0.35 2.04 -0.31 0.79 117.51 121.88 2wsq h ILE 245 Ca 0.13 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.95 2wsq h ILE 245 Cb 0.22 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 2wsq h ILE 245 CO -0.01 0.03 -0.45 0.40 0.00 0.00 0.00 178.15 178.12 2wsq h ILE 246 N 0.16 0.00 -1.10 -0.67 2.04 -0.85 -2.24 117.51 114.86 2wsq h ILE 246 Ca 0.14 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.30 2wsq h ILE 246 Cb 0.16 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.14 2wsq h ILE 246 CO -0.20 0.00 0.71 0.11 0.00 0.00 0.00 178.15 178.78 2wsq h LYS 247 N -0.67 0.30 0.00 2.37 1.57 -0.83 0.64 116.57 119.94 2wsq h LYS 247 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2wsq h LYS 247 Cb 0.66 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2wsq h LYS 247 CO -0.22 0.20 0.00 0.00 -0.57 0.00 0.00 179.45 178.86 2wsq n ALA 248 N -2.51 1.62 -1.37 3.86 0.00 0.23 -3.68 120.51 118.65 2wsq n ALA 248 Ca 0.27 -0.04 -0.28 0.00 0.00 0.00 0.00 53.44 53.39 2wsq n ALA 248 Cb 1.00 -1.14 0.02 0.00 0.00 0.00 0.00 19.45 19.32 2wsq n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wsq n THR 249 N -1.23 3.29 -1.24 0.00 -2.24 0.22 -4.51 114.28 108.57 2wsq n THR 249 Ca 0.05 -2.86 0.00 0.00 -2.27 0.00 0.00 64.05 58.97 2wsq n THR 249 Cb 0.06 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 2wsq n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50