#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 3.80 1.06 -1.46 1.02 -1.26 -5.03 119.74 117.87 2wsq s LYS 3 Ca 0.00 1.67 -0.15 0.00 0.02 0.00 0.00 55.97 57.51 2wsq s LYS 3 Cb 0.00 -2.37 0.22 0.00 -0.52 0.00 0.00 37.83 35.16 2wsq s LYS 3 CO 0.00 -0.49 1.14 -1.25 -0.92 0.00 0.00 175.35 173.83 2wsq s PRO 4 N -2.76 -0.04 0.13 -1.68 0.04 -1.26 -4.94 135.00 124.49 2wsq s PRO 4 Ca 0.64 0.11 -0.31 0.00 0.04 0.00 0.00 61.00 61.48 2wsq s PRO 4 Cb -0.26 -1.72 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 2wsq s PRO 4 CO 0.31 -2.96 1.81 -1.14 0.04 0.00 0.00 177.00 175.06 2wsq s GLN 5 N -5.33 4.14 0.85 4.56 0.74 -1.26 -4.97 119.66 118.39 2wsq s GLN 5 Ca 0.68 2.59 -0.12 0.00 0.05 0.00 0.00 55.36 58.57 2wsq s GLN 5 Cb -0.12 -3.54 0.10 0.00 1.10 0.00 0.00 33.01 30.55 2wsq s GLN 5 CO 0.55 -0.83 1.10 -1.25 -0.55 0.00 0.00 175.29 174.32 2wsq s PRO 6 N 2.56 1.63 -0.02 1.67 0.04 -1.26 -4.88 135.00 134.75 2wsq s PRO 6 Ca 0.80 0.64 0.03 0.00 0.04 0.00 0.00 61.00 62.50 2wsq s PRO 6 Cb -0.46 -1.87 -0.00 0.00 0.04 0.00 0.00 34.50 32.21 2wsq s PRO 6 CO 0.36 -1.94 -0.10 0.42 0.04 0.00 0.00 177.00 175.79 2wsq s ILE 7 N -3.10 0.80 -0.22 0.56 1.01 -0.51 -1.73 121.20 118.00 2wsq s ILE 7 Ca 0.62 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.89 2wsq s ILE 7 Cb -0.16 -0.69 0.05 0.00 0.01 0.00 0.00 42.46 41.67 2wsq s ILE 7 CO 0.55 0.24 -0.10 0.00 0.00 0.00 0.00 174.94 175.63 2wsq s ALA 8 N -0.01 2.16 -0.11 9.38 0.00 -0.37 -1.23 121.76 131.59 2wsq s ALA 8 Ca 0.00 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.59 2wsq s ALA 8 Cb -0.06 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 2wsq s ALA 8 CO 0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 175.76 174.68 2wsq s ALA 9 N 1.31 2.65 -0.21 0.00 0.00 -0.22 -0.19 121.76 125.11 2wsq s ALA 9 Ca -0.04 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 50.94 2wsq s ALA 9 Cb -0.17 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 2wsq s ALA 9 CO -0.07 0.34 0.07 0.00 0.00 0.00 0.00 175.76 176.10 2wsq s ALA 10 N 0.02 3.32 -0.30 0.00 0.00 0.11 -0.59 121.76 124.32 2wsq s ALA 10 Ca -0.04 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 50.93 2wsq s ALA 10 Cb -0.14 -1.99 -0.02 0.00 0.00 0.00 0.00 23.12 20.97 2wsq s ALA 10 CO 0.04 -0.07 0.16 1.21 0.00 0.00 0.00 175.76 177.10 2wsq s ASN 11 N 0.84 5.65 0.05 0.00 3.84 0.12 -0.64 114.94 124.81 2wsq s ASN 11 Ca 0.04 -0.38 -0.02 0.00 0.21 0.00 0.00 52.86 52.71 2wsq s ASN 11 Cb -0.14 -2.03 -0.04 0.00 -0.55 0.00 0.00 41.25 38.49 2wsq s ASN 11 CO 0.02 -0.15 0.24 0.26 -2.79 0.00 0.00 177.10 174.68 2wsq s TRP 12 N 1.66 3.52 0.00 0.43 0.51 -0.51 -4.43 118.94 120.13 2wsq s TRP 12 Ca 0.05 0.36 0.00 0.00 -2.12 0.00 0.00 56.10 54.39 2wsq s TRP 12 Cb -0.17 -1.84 0.00 0.00 -0.81 0.00 0.00 33.47 30.66 2wsq s TRP 12 CO 0.07 0.58 0.00 0.36 -0.51 0.00 0.00 176.95 177.45 2wsq n LYS 13 N 0.47 0.74 -0.88 4.98 2.85 -1.26 -3.92 118.16 121.14 2wsq n LYS 13 Ca -0.06 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.83 2wsq n LYS 13 Cb 0.52 -0.06 0.08 0.00 -0.65 0.00 0.00 35.03 34.92 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 1.53 0.36 0.00 0.00 3.02 -1.26 -4.60 115.26 114.31 2wsq n ASN 15 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 2wsq n ASN 15 Cb 0.70 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 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 2.56 0.00 0.00 7.41 0.00 -1.26 -4.58 105.19 109.31 2wsq n GLY 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.36 0.00 0.00 1.61 3.41 -1.26 -4.13 113.62 112.89 2wsq n SER 17 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wsq n SER 17 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2wsq n SER 17 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2wsq n GLN 18 N 0.00 0.00 -0.12 4.33 0.00 -1.26 -3.67 117.38 116.66 2wsq n GLN 18 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.00 56.90 2wsq n GLN 18 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.22 2wsq n GLN 18 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 2wsq h GLN 19 N 0.00 0.57 -0.21 3.69 -0.00 -1.95 0.48 115.11 117.70 2wsq h GLN 19 Ca 0.00 -0.16 -0.03 0.00 -0.00 0.00 0.00 58.65 58.46 2wsq h GLN 19 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.41 2wsq h GLN 19 CO 0.00 0.67 0.04 0.66 0.00 0.00 0.00 178.83 180.19 2wsq h SER 20 N 0.40 0.34 -0.43 -0.69 4.64 -1.72 -2.92 113.55 113.16 2wsq h SER 20 Ca 0.10 -0.26 0.07 0.00 -0.47 0.00 0.00 61.79 61.23 2wsq h SER 20 Cb 0.38 -0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 62.32 2wsq h SER 20 CO 0.01 0.51 0.08 -0.07 -0.87 0.00 0.00 176.83 176.49 2wsq h LEU 21 N 0.15 -0.00 -1.15 5.97 3.38 -1.80 -2.09 115.31 119.78 2wsq h LEU 21 Ca 0.07 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.16 2wsq h LEU 21 Cb 0.31 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 2wsq h LEU 21 CO 0.00 0.03 0.59 0.77 0.09 0.00 0.00 178.44 179.92 2wsq h SER 22 N 0.21 0.93 -0.15 -0.43 4.64 -0.00 -0.49 113.55 118.26 2wsq h SER 22 Ca 0.21 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 2wsq h SER 22 Cb 0.27 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2wsq h SER 22 CO -0.28 0.61 0.05 -0.33 -0.87 0.00 0.00 176.83 176.01 2wsq h GLU 23 N 1.06 0.23 -0.78 4.77 4.39 -1.20 -2.71 114.58 120.33 2wsq h GLU 23 Ca 0.37 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 60.07 2wsq h GLU 23 Cb 0.12 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.69 2wsq h GLU 23 CO -0.13 0.35 0.49 -0.07 -1.16 0.00 0.00 179.01 178.49 2wsq h LEU 24 N 0.06 0.78 -0.23 1.33 3.38 -1.00 -2.11 115.31 117.53 2wsq h LEU 24 Ca 0.05 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2wsq h LEU 24 Cb 0.22 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2wsq h LEU 24 CO -0.00 0.53 0.04 0.40 0.09 0.00 0.00 178.44 179.49 2wsq h ILE 25 N 0.93 0.89 -0.75 1.22 2.04 -0.87 0.18 117.51 121.14 2wsq h ILE 25 Ca 0.33 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 66.11 2wsq h ILE 25 Cb 0.08 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 2wsq h ILE 25 CO -0.14 0.02 0.37 0.44 0.00 0.00 0.00 178.15 178.84 2wsq h ASP 26 N 0.13 0.99 -0.46 1.72 3.32 -1.36 0.32 116.42 121.07 2wsq h ASP 26 Ca 0.10 -0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.07 2wsq h ASP 26 Cb 0.11 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 2wsq h ASP 26 CO -0.14 0.84 0.21 0.25 -1.72 0.00 0.00 179.24 178.68 2wsq h LEU 27 N 1.06 0.28 -0.56 1.55 6.46 -0.53 -1.69 115.31 121.88 2wsq h LEU 27 Ca 0.26 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 58.02 2wsq h LEU 27 Cb 0.11 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 2wsq h LEU 27 CO -0.03 0.20 0.20 -0.26 -0.62 0.00 0.00 178.44 177.92 2wsq h PHE 28 N 0.41 0.87 -0.27 1.25 0.04 -0.14 -2.71 116.94 116.40 2wsq h PHE 28 Ca 0.21 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 2wsq h PHE 28 Cb 0.15 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 2wsq h PHE 28 CO -0.12 0.72 0.16 -0.91 -0.60 0.00 0.00 178.31 177.56 2wsq h ASN 29 N 0.77 0.32 -0.30 2.17 2.35 -0.67 -1.73 115.58 118.49 2wsq h ASN 29 Ca 0.18 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2wsq h ASN 29 Cb 0.24 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2wsq h ASN 29 CO -0.01 0.25 0.00 -1.54 -1.65 0.00 0.00 177.43 174.48 2wsq n SER 30 N -4.47 2.43 -4.76 5.81 3.41 -0.66 -4.86 113.62 110.52 2wsq n SER 30 Ca 0.01 -1.86 -0.40 0.00 -0.26 0.00 0.00 58.87 56.36 2wsq n SER 30 Cb 0.09 -0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.62 4.70 -0.37 6.66 2.01 -0.65 -5.02 115.64 121.35 2wsq s THR 31 Ca 0.34 1.57 -0.23 0.00 0.31 0.00 0.00 61.69 63.68 2wsq s THR 31 Cb 0.19 -4.08 0.01 0.00 0.01 0.00 0.00 72.50 68.63 2wsq s THR 31 CO 0.27 0.41 0.76 -0.44 -0.69 0.00 0.00 174.62 174.93 2wsq s SER 32 N -0.30 6.52 -0.34 3.53 0.01 -1.26 -5.02 113.70 116.83 2wsq s SER 32 Ca 0.36 0.28 -0.01 0.00 1.31 0.00 0.00 55.95 57.90 2wsq s SER 32 Cb -0.21 -2.38 0.08 0.00 0.21 0.00 0.00 66.02 63.72 2wsq s SER 32 CO 0.22 -0.72 0.06 -0.63 0.41 0.00 0.00 173.24 172.58 2wsq s ILE 33 N 3.05 2.89 0.01 1.44 1.01 -1.26 -5.02 121.20 123.32 2wsq s ILE 33 Ca 0.30 -1.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.14 2wsq s ILE 33 Cb -0.13 -2.84 -0.28 0.00 0.01 0.00 0.00 42.46 39.22 2wsq s ILE 33 CO 0.17 -0.36 0.90 -0.55 0.00 0.00 0.00 174.94 175.10 2wsq h ASN 34 N 7.93 0.40 -3.63 3.58 7.08 -2.01 -3.48 115.58 125.45 2wsq h ASN 34 Ca -0.15 -0.52 -0.46 0.00 -3.08 0.00 0.00 56.30 52.09 2wsq h ASN 34 Cb 1.05 -0.13 0.08 0.00 -2.08 0.00 0.00 38.32 37.24 2wsq h ASN 34 CO 0.57 1.43 0.22 -1.38 -2.08 0.00 0.00 177.43 176.20 2wsq s HIS 35 N -2.62 2.78 -0.43 4.14 -3.43 -1.26 -5.01 115.29 109.45 2wsq s HIS 35 Ca -0.08 0.38 -0.27 0.00 -0.80 0.00 0.00 55.06 54.28 2wsq s HIS 35 Cb 0.07 -3.21 0.02 0.00 -1.43 0.00 0.00 32.58 28.03 2wsq s HIS 35 CO 0.86 -1.47 1.00 0.34 -2.00 0.00 0.00 174.74 173.48 2wsq s ASP 36 N -4.54 6.62 -0.19 7.38 2.15 -1.26 -4.98 116.67 121.85 2wsq s ASP 36 Ca 0.61 0.41 -0.14 0.00 0.43 0.00 0.00 52.55 53.87 2wsq s ASP 36 Cb -0.10 -2.49 0.06 0.00 -0.30 0.00 0.00 42.92 40.08 2wsq s ASP 36 CO 0.45 -1.05 0.47 0.54 -0.17 0.00 0.00 175.17 175.41 2wsq s VAL 37 N 3.90 -0.01 -0.34 1.11 0.11 -1.26 -4.39 120.40 119.51 2wsq s VAL 37 Ca 0.41 0.04 -0.18 0.00 -2.93 0.00 0.00 61.98 59.32 2wsq s VAL 37 Cb -0.10 -0.68 -0.00 0.00 -1.53 0.00 0.00 36.38 34.07 2wsq s VAL 37 CO 0.25 0.02 0.53 -1.58 -3.33 0.00 0.00 175.10 170.99 2wsq s GLN 38 N 0.87 3.67 0.02 1.54 2.00 -0.71 -4.88 119.66 122.18 2wsq s GLN 38 Ca -0.05 -0.08 -0.08 0.00 -2.00 0.00 0.00 55.36 53.15 2wsq s GLN 38 Cb -0.06 -3.79 -0.05 0.00 0.80 0.00 0.00 33.01 29.91 2wsq s GLN 38 CO -0.07 -0.63 0.30 0.00 -0.50 0.00 0.00 175.29 174.39 2wsq s VAL 40 N -1.30 0.37 -0.13 0.00 1.01 0.74 -1.66 120.40 119.43 2wsq s VAL 40 Ca 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2wsq s VAL 40 Cb -0.14 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 35.91 2wsq s VAL 40 CO 0.16 0.14 -0.12 -0.69 0.00 0.00 0.00 175.10 174.58 2wsq s VAL 41 N 0.26 1.39 -0.56 2.92 1.01 -0.36 0.08 120.40 125.14 2wsq s VAL 41 Ca -0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 2wsq s VAL 41 Cb -0.06 -1.32 0.15 0.00 0.00 0.00 0.00 36.38 35.15 2wsq s VAL 41 CO -0.00 0.43 0.35 0.00 0.00 0.00 0.00 175.10 175.88 2wsq s ALA 42 N 1.42 3.44 0.73 5.51 0.00 0.19 -0.91 121.76 132.14 2wsq s ALA 42 Ca 0.02 -3.14 -0.11 0.00 0.00 0.00 0.00 51.96 48.73 2wsq s ALA 42 Cb -0.13 -2.49 0.04 0.00 0.00 0.00 0.00 23.12 20.53 2wsq s ALA 42 CO -0.08 -2.03 1.11 -1.25 0.00 0.00 0.00 175.76 173.52 2wsq s PRO 43 N 0.08 2.57 0.39 0.00 0.04 -1.25 -1.42 135.00 135.41 2wsq s PRO 43 Ca 0.16 0.32 -0.25 0.00 0.04 0.00 0.00 61.00 61.27 2wsq s PRO 43 Cb -0.22 -2.01 -0.12 0.00 0.04 0.00 0.00 34.50 32.19 2wsq s PRO 43 CO -0.03 -1.20 0.87 0.45 0.04 0.00 0.00 177.00 177.13 2wsq n SER 44 N -3.08 0.62 -0.31 6.66 2.88 -1.25 -4.69 113.62 114.45 2wsq n SER 44 Ca 0.07 1.03 0.16 0.00 -1.33 0.00 0.00 58.87 58.80 2wsq n SER 44 Cb 0.58 -1.26 0.33 0.00 -0.75 0.00 0.00 64.21 63.11 2wsq n SER 44 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2wsq h PHE 45 N 1.40 0.38 0.00 0.66 3.57 -1.94 0.43 116.94 121.44 2wsq h PHE 45 Ca -0.42 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.13 2wsq h PHE 45 Cb 1.36 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.08 2wsq h PHE 45 CO 0.42 -0.27 0.00 1.55 -2.23 0.00 0.00 178.31 177.78 2wsq n VAL 46 N -5.26 0.00 0.04 1.41 3.14 -1.26 -2.32 118.33 114.08 2wsq n VAL 46 Ca 0.24 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.63 2wsq n VAL 46 Cb 0.78 -0.44 0.01 0.00 -1.06 0.00 0.00 33.84 33.12 2wsq n VAL 46 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2wsq n HIS 47 N -0.73 0.00 0.03 1.45 8.25 0.15 -4.81 115.22 119.57 2wsq n HIS 47 Ca 0.07 -0.05 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 2wsq n HIS 47 Cb 0.03 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.09 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 0.19 -1.01 0.38 2.41 4.07 -1.45 0.37 115.31 120.28 2wsq h LEU 48 Ca 0.00 0.14 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 2wsq h LEU 48 Cb 0.09 0.41 0.00 0.00 1.08 0.00 0.00 40.66 42.25 2wsq h LEU 48 CO 0.00 -0.38 -0.18 0.00 -1.08 0.00 0.00 178.44 176.80 2wsq h ALA 49 N 0.30 -0.50 -0.24 1.53 0.00 -1.87 -0.87 119.26 117.60 2wsq h ALA 49 Ca 0.07 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2wsq h ALA 49 Cb 0.56 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 2wsq h ALA 49 CO -0.31 -0.78 -0.27 1.98 0.00 0.00 0.00 179.25 179.87 2wsq h MET 50 N -0.51 -0.27 -0.46 0.00 1.85 -1.89 -0.52 114.93 113.12 2wsq h MET 50 Ca -0.05 0.02 -0.03 0.00 -0.61 0.00 0.00 59.70 59.03 2wsq h MET 50 Cb 0.39 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.46 2wsq h MET 50 CO 0.08 -0.18 0.19 1.15 -0.40 0.00 0.00 176.91 177.75 2wsq h THR 51 N -0.28 1.20 -0.27 -0.77 2.02 -0.73 0.13 112.91 114.21 2wsq h THR 51 Ca 0.13 -0.62 0.03 0.00 0.77 0.00 0.00 66.41 66.72 2wsq h THR 51 Cb 0.49 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2wsq h THR 51 CO -0.40 0.23 0.18 0.50 0.37 0.00 0.00 175.52 176.41 2wsq h LYS 52 N 0.60 0.24 0.39 6.66 3.64 -0.95 -1.04 116.57 126.12 2wsq h LYS 52 Ca 0.15 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2wsq h LYS 52 Cb 0.19 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2wsq h LYS 52 CO -0.01 0.16 -0.19 1.05 -2.27 0.00 0.00 179.45 178.19 2wsq h GLU 53 N 0.25 -0.51 -0.14 1.90 4.11 0.68 -3.33 114.58 117.54 2wsq h GLU 53 Ca 0.11 0.03 -0.10 0.00 0.07 0.00 0.00 59.36 59.48 2wsq h GLU 53 Cb 0.14 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2wsq h GLU 53 CO -0.02 -0.26 -0.36 0.00 0.07 0.00 0.00 179.01 178.44 2wsq h ARG 54 N -1.07 0.29 -5.80 1.06 2.47 -0.72 -3.43 114.38 107.18 2wsq h ARG 54 Ca -0.05 -0.12 -0.59 0.00 -1.26 0.00 0.00 59.98 57.95 2wsq h ARG 54 Cb 0.49 -0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 28.71 2wsq h ARG 54 CO 0.09 0.62 0.48 -1.17 0.56 0.00 0.00 179.97 180.54 2wsq s LEU 55 N -8.37 4.08 0.00 3.04 2.96 -0.41 -4.87 118.68 115.11 2wsq s LEU 55 Ca -0.05 1.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.89 2wsq s LEU 55 Cb 0.14 -3.19 0.00 0.00 0.50 0.00 0.00 46.19 43.63 2wsq s LEU 55 CO 0.77 -0.53 0.03 -1.54 -1.32 0.00 0.00 176.35 173.77 2wsq n SER 56 N 6.03 0.06 -4.64 3.68 3.41 -1.26 -4.83 113.62 116.06 2wsq n SER 56 Ca 0.06 -0.44 -0.51 0.00 -0.26 0.00 0.00 58.87 57.72 2wsq n SER 56 Cb 0.47 0.73 -0.05 0.00 -0.26 0.00 0.00 64.21 65.10 2wsq n SER 56 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2wsq n HIS 57 N -0.73 1.92 0.31 7.33 -0.00 -1.26 -4.84 115.22 117.95 2wsq n HIS 57 Ca 0.00 0.44 0.18 0.00 -0.00 0.00 0.00 57.72 58.34 2wsq n HIS 57 Cb 0.00 -2.45 1.02 0.00 -0.00 0.00 0.00 29.99 28.56 2wsq n HIS 57 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2wsq h PRO 58 N 5.89 0.00 -0.19 1.57 0.13 -1.97 -1.91 132.00 135.52 2wsq h PRO 58 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wsq h PRO 58 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2wsq h PRO 58 CO 0.86 0.01 0.00 1.63 -0.23 0.00 0.00 178.00 180.27 2wsq n LYS 59 N -3.51 1.81 -4.44 0.86 4.76 -1.26 -4.92 118.16 111.46 2wsq n LYS 59 Ca -0.03 -1.22 -0.31 0.00 -2.87 0.00 0.00 58.31 53.88 2wsq n LYS 59 Cb 0.09 -1.41 -0.11 0.00 -1.84 0.00 0.00 35.03 31.77 2wsq n LYS 59 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2wsq s PHE 60 N -1.76 2.73 0.10 2.13 0.40 -0.72 -1.08 117.98 119.78 2wsq s PHE 60 Ca 0.33 -0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.53 2wsq s PHE 60 Cb 0.18 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.17 2wsq s PHE 60 CO 0.27 0.35 -0.07 0.14 0.70 0.00 0.00 175.22 176.61 2wsq s VAL 61 N -1.05 0.71 -0.10 -0.44 -7.23 -0.67 -4.87 120.40 106.76 2wsq s VAL 61 Ca 0.18 -1.89 -0.04 0.00 -1.81 0.00 0.00 61.98 58.42 2wsq s VAL 61 Cb -0.11 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 2wsq s VAL 61 CO 0.09 -0.84 0.07 -0.63 -0.31 0.00 0.00 175.10 173.48 2wsq s ILE 62 N -3.47 4.86 0.13 -0.62 1.01 -1.26 -1.22 121.20 120.63 2wsq s ILE 62 Ca 0.11 -0.06 0.10 0.00 0.00 0.00 0.00 60.65 60.80 2wsq s ILE 62 Cb 0.04 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 2wsq s ILE 62 CO -0.04 0.60 -0.24 0.00 0.00 0.00 0.00 174.94 175.26 2wsq s ALA 63 N -0.97 2.14 0.27 9.38 0.00 -0.09 -4.00 121.76 128.49 2wsq s ALA 63 Ca 0.15 -1.40 0.06 0.00 0.00 0.00 0.00 51.96 50.77 2wsq s ALA 63 Cb -0.12 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 2wsq s ALA 63 CO 0.04 0.44 0.36 0.00 0.00 0.00 0.00 175.76 176.60 2wsq s ALA 64 N -1.20 3.95 -0.08 0.00 0.00 -0.65 -3.92 121.76 119.86 2wsq s ALA 64 Ca 0.12 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.78 2wsq s ALA 64 Cb -0.10 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.37 2wsq s ALA 64 CO 0.06 0.17 -0.17 -0.65 0.00 0.00 0.00 175.76 175.17 2wsq s GLN 65 N -4.01 2.85 -1.02 0.00 -0.21 -1.26 -0.67 119.66 115.33 2wsq s GLN 65 Ca 0.37 -0.75 -0.18 0.00 0.02 0.00 0.00 55.36 54.82 2wsq s GLN 65 Cb -0.09 -2.41 0.02 0.00 1.00 0.00 0.00 33.01 31.54 2wsq s GLN 65 CO 0.29 0.40 0.66 0.09 -2.12 0.00 0.00 175.29 174.61 2wsq n ASN 66 N 2.95 -4.67 -4.74 5.90 5.03 -0.06 -4.91 115.26 114.75 2wsq n ASN 66 Ca -0.18 -1.09 -0.41 0.00 0.87 0.00 0.00 54.58 53.77 2wsq n ASN 66 Cb 0.52 -1.92 -0.03 0.00 -1.02 0.00 0.00 39.78 37.33 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 -3.27 3.58 -0.39 5.41 0.00 -1.26 -4.93 121.76 120.90 2wsq s ALA 67 Ca 0.26 1.20 0.04 0.00 0.00 0.00 0.00 51.96 53.46 2wsq s ALA 67 Cb -0.14 -3.52 0.12 0.00 0.00 0.00 0.00 23.12 19.59 2wsq s ALA 67 CO 0.92 -0.62 1.10 0.41 0.00 0.00 0.00 175.76 177.57 2wsq n GLY 68 N 2.44 2.83 3.34 0.00 0.00 -1.26 -4.97 105.19 107.58 2wsq n GLY 68 Ca 0.07 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.99 -0.47 0.41 1.61 2.47 -1.26 -5.00 114.94 111.71 2wsq s ASN 69 Ca 0.09 0.90 0.22 0.00 0.42 0.00 0.00 52.86 54.50 2wsq s ASN 69 Cb 0.05 0.90 1.22 0.00 -1.45 0.00 0.00 41.25 41.98 2wsq s ASN 69 CO 0.06 -0.16 1.71 0.00 -3.72 0.00 0.00 177.10 174.99 2wsq h ALA 70 N 5.55 2.39 -0.05 1.71 0.00 -2.00 0.53 119.26 127.39 2wsq h ALA 70 Ca -0.28 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 2wsq h ALA 70 Cb 1.18 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2wsq h ALA 70 CO 0.23 -0.90 -0.60 -0.44 0.00 0.00 0.00 179.25 177.53 2wsq h ASP 71 N 0.27 0.20 -0.57 0.00 5.19 -1.99 -2.75 116.42 116.77 2wsq h ASP 71 Ca 0.69 -0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.96 2wsq h ASP 71 Cb 1.92 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 41.35 2wsq h ASP 71 CO -0.37 0.76 0.26 1.23 -3.12 0.00 0.00 179.24 177.99 2wsq h GLY 72 N 1.56 0.90 1.00 2.75 0.00 -0.40 0.91 103.07 109.80 2wsq h GLY 72 Ca -0.01 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 2wsq h GLY 72 CO 0.09 0.44 0.43 1.41 0.00 0.00 0.00 176.54 178.91 2wsq h LEU 80 N 0.78 0.83 -0.99 3.11 3.38 -1.00 0.46 115.31 121.88 2wsq h LEU 80 Ca 0.19 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2wsq h LEU 80 Cb 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2wsq h LEU 80 CO -0.02 0.64 0.06 0.00 0.09 0.00 0.00 178.44 179.21 2wsq h ALA 81 N 1.23 1.17 -0.38 1.53 0.00 -1.16 -1.13 119.26 120.52 2wsq h ALA 81 Ca 0.25 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2wsq h ALA 81 Cb -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2wsq h ALA 81 CO -0.05 0.55 -0.07 0.66 0.00 0.00 0.00 179.25 180.34 2wsq h SER 82 N 0.75 0.61 -0.36 0.00 4.64 -0.13 -2.74 113.55 116.32 2wsq h SER 82 Ca 0.16 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wsq h SER 82 Cb 0.37 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 2wsq h SER 82 CO 0.01 0.73 0.22 -0.07 -0.87 0.00 0.00 176.83 176.85 2wsq h LEU 83 N 0.59 0.44 -0.85 5.97 3.38 0.14 -0.97 115.31 124.00 2wsq h LEU 83 Ca 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wsq h LEU 83 Cb 0.48 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2wsq h LEU 83 CO 0.03 0.36 0.00 0.29 0.09 0.00 0.00 178.44 179.21 2wsq n LYS 84 N -4.79 0.10 0.08 1.13 5.02 -0.53 -0.42 118.16 118.75 2wsq n LYS 84 Ca -0.00 0.54 -0.08 0.00 -2.02 0.00 0.00 58.31 56.74 2wsq n LYS 84 Cb 0.05 -1.80 -0.08 0.00 -0.02 0.00 0.00 35.03 33.19 2wsq n LYS 84 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2wsq h ASP 85 N 0.00 0.12 1.15 4.39 5.19 -0.87 -2.96 116.42 123.44 2wsq h ASP 85 Ca 0.00 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 2wsq h ASP 85 Cb 0.08 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.55 2wsq h ASP 85 CO 0.00 1.03 0.00 0.49 -3.12 0.00 0.00 179.24 177.64 2wsq n PHE 86 N -3.48 0.62 -0.96 4.55 3.01 0.45 -4.90 117.46 116.75 2wsq n PHE 86 Ca -0.02 0.19 0.00 0.00 1.01 0.00 0.00 57.45 58.63 2wsq n PHE 86 Cb 0.90 -0.82 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 2wsq n PHE 86 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wsq n GLY 87 N 1.02 0.59 3.77 1.37 0.00 -1.08 -4.95 105.19 105.91 2wsq n GLY 87 Ca 0.05 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 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 5.02 -0.04 1.61 1.01 -1.07 -4.99 120.40 119.94 2wsq s VAL 88 Ca 0.00 1.05 0.06 0.00 0.00 0.00 0.00 61.98 63.09 2wsq s VAL 88 Cb 0.00 -3.84 0.09 0.00 0.00 0.00 0.00 36.38 32.63 2wsq s VAL 88 CO 0.00 0.43 0.96 -0.46 0.00 0.00 0.00 175.10 176.03 2wsq n ASN 89 N 2.80 1.43 -4.19 3.32 0.23 -1.26 -4.23 115.26 113.36 2wsq n ASN 89 Ca -0.09 -2.16 -0.20 0.00 -0.53 0.00 0.00 54.58 51.60 2wsq n ASN 89 Cb 0.51 -0.17 -0.12 0.00 -2.08 0.00 0.00 39.78 37.93 2wsq n ASN 89 CO 0.00 0.00 0.00 0.26 -0.93 0.00 0.00 177.26 176.59 2wsq s TRP 90 N -1.25 1.35 -0.06 -2.53 0.52 -1.26 -1.14 118.94 114.58 2wsq s TRP 90 Ca 0.10 -0.44 -0.06 0.00 0.02 0.00 0.00 56.10 55.72 2wsq s TRP 90 Cb 0.09 -0.76 0.02 0.00 -1.15 0.00 0.00 33.47 31.66 2wsq s TRP 90 CO 0.01 0.09 0.17 -1.50 0.02 0.00 0.00 176.95 175.73 2wsq s ILE 91 N -1.19 0.01 -0.17 2.03 2.07 -0.65 -1.63 121.20 121.66 2wsq s ILE 91 Ca 0.00 -0.06 -0.04 0.00 -1.41 0.00 0.00 60.65 59.14 2wsq s ILE 91 Cb -0.10 -0.26 -0.03 0.00 0.13 0.00 0.00 42.46 42.20 2wsq s ILE 91 CO 0.03 -0.03 -0.02 -0.69 -1.91 0.00 0.00 174.94 172.31 2wsq s VAL 92 N -0.04 3.95 -0.36 4.00 1.01 0.15 -1.05 120.40 128.05 2wsq s VAL 92 Ca -0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 2wsq s VAL 92 Cb -0.02 -2.75 0.06 0.00 0.00 0.00 0.00 36.38 33.68 2wsq s VAL 92 CO 0.00 0.48 0.15 -0.76 0.00 0.00 0.00 175.10 174.97 2wsq s LEU 93 N 0.52 4.61 -1.42 3.92 1.43 -0.23 -0.88 118.68 126.63 2wsq s LEU 93 Ca -0.02 -1.37 -0.14 0.00 -1.03 0.00 0.00 54.13 51.56 2wsq s LEU 93 Cb -0.14 -1.88 0.06 0.00 0.03 0.00 0.00 46.19 44.26 2wsq s LEU 93 CO 0.02 -0.40 2.13 0.61 0.23 0.00 0.00 176.35 178.94 2wsq n GLY 94 N 4.79 4.20 0.16 -3.19 0.00 -1.26 -1.63 105.19 108.25 2wsq n GLY 94 Ca -0.10 -1.62 -0.16 0.00 0.00 0.00 0.00 46.02 44.13 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 6.19 0.68 -0.92 1.61 6.17 -1.88 -2.85 115.15 124.15 2wsq h HIS 95 Ca 0.54 -0.31 0.15 0.00 0.71 0.00 0.00 60.37 61.45 2wsq h HIS 95 Cb 0.67 -0.10 -0.09 0.00 2.52 0.00 0.00 27.41 30.41 2wsq h HIS 95 CO 1.43 1.10 0.53 0.66 0.71 0.00 0.00 177.93 182.36 2wsq h SER 96 N 0.07 0.70 -0.03 3.26 4.64 -1.54 0.16 113.55 120.79 2wsq h SER 96 Ca -0.04 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 2wsq h SER 96 Cb 1.18 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2wsq h SER 96 CO 0.11 0.31 -0.10 -0.33 -0.87 0.00 0.00 176.83 175.94 2wsq h GLU 97 N 0.76 0.12 -0.14 4.77 5.08 -1.88 -2.85 114.58 120.44 2wsq h GLU 97 Ca 0.50 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 2wsq h GLU 97 Cb 0.66 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2wsq h GLU 97 CO -0.34 0.72 0.02 0.00 -1.00 0.00 0.00 179.01 178.41 2wsq h ARG 98 N -0.45 0.19 0.11 2.33 3.08 -1.24 0.23 114.38 118.63 2wsq h ARG 98 Ca -0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2wsq h ARG 98 Cb 0.73 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2wsq h ARG 98 CO 0.02 0.20 -0.05 -0.09 -1.07 0.00 0.00 179.97 178.98 2wsq h ARG 99 N 0.20 -0.14 0.01 0.04 2.43 -1.04 -0.02 114.38 115.86 2wsq h ARG 99 Ca 0.05 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2wsq h ARG 99 Cb 0.11 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2wsq h ARG 99 CO -0.00 0.18 -0.00 0.00 -1.51 0.00 0.00 179.97 178.64 2wsq h ALA 100 N 0.38 -0.01 0.11 2.80 0.00 -1.19 -2.33 119.26 119.02 2wsq h ALA 100 Ca -0.01 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 2wsq h ALA 100 Cb 0.38 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.20 2wsq h ALA 100 CO 0.02 -0.41 -0.94 1.88 0.00 0.00 0.00 179.25 179.80 2wsq h TYR 101 N -0.19 0.74 -0.00 0.00 0.05 -0.66 -3.40 116.97 113.51 2wsq h TYR 101 Ca -0.00 -0.48 0.00 0.00 0.05 0.00 0.00 58.73 58.30 2wsq h TYR 101 Cb 0.19 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.87 2wsq h TYR 101 CO -0.02 1.34 -0.14 0.66 -1.05 0.00 0.00 178.16 178.95 2wsq n TYR 102 N -4.02 0.00 -0.91 4.88 0.53 -0.12 -5.01 117.16 112.51 2wsq n TYR 102 Ca -0.13 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.75 2wsq n TYR 102 Cb 0.85 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 39.16 2wsq n TYR 102 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2wsq n GLY 103 N 0.83 0.48 3.68 2.72 0.00 -0.62 -4.97 105.19 107.30 2wsq n GLY 103 Ca 0.02 -0.60 -0.52 0.00 0.00 0.00 0.00 46.02 44.92 2wsq n GLY 103 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wsq n GLU 104 N -2.91 1.66 -1.86 1.61 2.13 -0.87 -4.89 120.64 115.50 2wsq n GLU 104 Ca 0.00 0.61 -0.32 0.00 0.66 0.00 0.00 57.16 58.10 2wsq n GLU 104 Cb 0.00 -2.35 0.03 0.00 0.27 0.00 0.00 31.44 29.39 2wsq n GLU 104 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2wsq s THR 105 N 2.95 3.67 0.45 6.31 -4.23 -1.26 -4.25 115.64 119.28 2wsq s THR 105 Ca 0.92 0.73 0.20 0.00 -1.18 0.00 0.00 61.69 62.37 2wsq s THR 105 Cb -0.86 -3.28 0.24 0.00 1.34 0.00 0.00 72.50 69.93 2wsq s THR 105 CO 0.54 -0.52 2.04 0.78 -0.54 0.00 0.00 174.62 176.93 2wsq h ASN 106 N 0.08 0.00 0.08 3.99 -0.26 -1.96 -2.69 115.58 114.82 2wsq h ASN 106 Ca -0.46 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.08 2wsq h ASN 106 Cb 1.23 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 2wsq h ASN 106 CO 0.56 0.14 -0.74 -0.33 -1.06 0.00 0.00 177.43 176.00 2wsq h GLU 107 N 0.00 0.57 -0.05 0.81 3.07 -1.92 -1.03 114.58 116.03 2wsq h GLU 107 Ca -0.00 -0.46 -0.03 0.00 -0.50 0.00 0.00 59.36 58.36 2wsq h GLU 107 Cb 0.30 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2wsq h GLU 107 CO 0.02 1.09 -0.10 0.82 -1.40 0.00 0.00 179.01 179.44 2wsq h ILE 108 N 0.39 1.42 -0.95 3.13 2.04 -1.89 -1.18 117.51 120.47 2wsq h ILE 108 Ca -0.04 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.43 2wsq h ILE 108 Cb 1.34 2.22 -0.05 0.00 -0.74 0.00 0.00 36.82 39.60 2wsq h ILE 108 CO 0.14 0.38 0.61 1.62 0.00 0.00 0.00 178.15 180.90 2wsq h VAL 109 N -0.34 1.25 -0.65 1.67 3.04 -1.49 -0.12 116.25 119.61 2wsq h VAL 109 Ca 0.00 -0.49 0.03 0.00 -1.01 0.00 0.00 66.70 65.24 2wsq h VAL 109 Cb 0.67 -0.13 -0.04 0.00 -2.01 0.00 0.00 31.29 29.78 2wsq h VAL 109 CO 0.02 0.25 0.39 0.00 -1.01 0.00 0.00 177.57 177.23 2wsq h ALA 110 N 1.37 0.84 -0.38 3.17 0.00 -1.12 0.10 119.26 123.25 2wsq h ALA 110 Ca 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2wsq h ALA 110 Cb -0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2wsq h ALA 110 CO -0.07 0.14 0.21 -0.44 0.00 0.00 0.00 179.25 179.08 2wsq h ASP 111 N 0.77 0.48 -0.46 0.00 3.32 -0.69 -2.41 116.42 117.43 2wsq h ASP 111 Ca 0.26 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 2wsq h ASP 111 Cb 0.04 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2wsq h ASP 111 CO -0.11 0.43 0.19 0.11 -1.72 0.00 0.00 179.24 178.13 2wsq h LYS 112 N 0.48 0.74 -0.10 3.56 1.57 -0.39 -0.33 116.57 122.10 2wsq h LYS 112 Ca 0.13 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2wsq h LYS 112 Cb 0.06 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2wsq h LYS 112 CO -0.02 0.63 -0.01 0.28 -0.57 0.00 0.00 179.45 179.76 2wsq h VAL 113 N 0.73 1.26 -0.82 0.50 2.07 -0.68 -1.17 116.25 118.14 2wsq h VAL 113 Ca 0.17 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.87 2wsq h VAL 113 Cb 0.18 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 2wsq h VAL 113 CO -0.01 0.24 0.54 0.00 0.02 0.00 0.00 177.57 178.36 2wsq h ALA 114 N 0.72 1.05 -0.41 1.67 0.00 -1.11 -0.98 119.26 120.20 2wsq h ALA 114 Ca 0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2wsq h ALA 114 Cb 0.37 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2wsq h ALA 114 CO 0.01 0.43 -0.23 0.00 0.00 0.00 0.00 179.25 179.46 2wsq h ALA 115 N 1.31 0.58 -0.02 0.00 0.00 -0.94 -1.79 119.26 118.39 2wsq h ALA 115 Ca 0.31 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wsq h ALA 115 Cb -0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2wsq h ALA 115 CO -0.07 0.56 0.01 0.00 0.00 0.00 0.00 179.25 179.75 2wsq h ALA 116 N 0.81 0.03 -0.80 0.00 0.00 -0.93 -2.02 119.26 116.34 2wsq h ALA 116 Ca 0.09 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2wsq h ALA 116 Cb 0.80 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 2wsq h ALA 116 CO 0.07 -0.42 0.45 0.28 0.00 0.00 0.00 179.25 179.63 2wsq h VAL 117 N -0.07 0.93 0.00 0.00 2.07 -1.13 -0.76 116.25 117.29 2wsq h VAL 117 Ca 0.01 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 2wsq h VAL 117 Cb 0.10 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 2wsq h VAL 117 CO -0.00 0.14 -0.20 0.00 0.02 0.00 0.00 177.57 177.53 2wsq h ALA 118 N 1.43 1.33 -0.02 1.67 0.00 -1.17 -0.78 119.26 121.73 2wsq h ALA 118 Ca 0.38 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2wsq h ALA 118 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2wsq h ALA 118 CO -0.23 0.25 0.00 0.45 0.00 0.00 0.00 179.25 179.72 2wsq n SER 119 N -3.81 0.78 0.00 0.00 2.88 -0.34 -4.92 113.62 108.22 2wsq n SER 119 Ca -0.02 -1.29 0.00 0.00 -1.33 0.00 0.00 58.87 56.23 2wsq n SER 119 Cb 0.30 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 2wsq n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wsq n GLY 120 N 1.08 0.60 3.86 0.46 0.00 -0.30 -5.07 105.19 105.82 2wsq n GLY 120 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 3.55 -0.14 1.61 0.40 -0.94 -4.96 117.98 115.50 2wsq s PHE 121 Ca 0.00 1.32 -0.13 0.00 -0.60 0.00 0.00 56.93 57.53 2wsq s PHE 121 Cb 0.00 -2.72 -0.05 0.00 0.51 0.00 0.00 43.02 40.77 2wsq s PHE 121 CO 0.00 -0.52 0.27 -1.64 0.70 0.00 0.00 175.22 174.03 2wsq s MET 122 N -4.68 4.12 -0.11 0.44 -1.94 -0.30 -4.30 119.30 112.52 2wsq s MET 122 Ca 0.56 0.08 0.03 0.00 -1.71 0.00 0.00 55.69 54.65 2wsq s MET 122 Cb -0.11 -3.37 0.00 0.00 2.01 0.00 0.00 34.83 33.36 2wsq s MET 122 CO 0.44 0.36 -0.23 0.08 -0.01 0.00 0.00 175.02 175.66 2wsq s VAL 123 N 0.11 2.03 -0.39 -6.03 1.01 -0.23 -1.64 120.40 115.27 2wsq s VAL 123 Ca 0.16 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 61.02 2wsq s VAL 123 Cb -0.13 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.49 2wsq s VAL 123 CO 0.04 0.55 0.25 -0.63 0.00 0.00 0.00 175.10 175.32 2wsq s ILE 124 N 0.52 5.00 -0.35 2.22 1.01 -0.22 -0.23 121.20 129.15 2wsq s ILE 124 Ca -0.15 -0.67 -0.13 0.00 0.00 0.00 0.00 60.65 59.71 2wsq s ILE 124 Cb -0.17 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 2wsq s ILE 124 CO 0.05 -0.23 0.24 0.00 0.00 0.00 0.00 174.94 175.00 2wsq s ALA 125 N 1.64 3.48 -0.44 9.38 0.00 0.93 -1.07 121.76 135.68 2wsq s ALA 125 Ca 0.04 -1.44 -0.24 0.00 0.00 0.00 0.00 51.96 50.32 2wsq s ALA 125 Cb -0.19 -2.68 0.02 0.00 0.00 0.00 0.00 23.12 20.28 2wsq s ALA 125 CO 0.09 -1.05 0.84 0.00 0.00 0.00 0.00 175.76 175.64 2wsq s ILE 127 N 3.43 2.59 0.00 0.00 -4.36 0.02 -1.45 121.20 121.42 2wsq s ILE 127 Ca 0.33 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.70 2wsq s ILE 127 Cb -0.12 -2.28 0.00 0.00 1.25 0.00 0.00 42.46 41.31 2wsq s ILE 127 CO 0.23 -0.18 0.00 0.61 0.24 0.00 0.00 174.94 175.84 2wsq n GLY 128 N 0.01 1.50 3.88 6.27 0.00 -1.26 -0.07 105.19 115.53 2wsq n GLY 128 Ca -0.11 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 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 2.78 0.57 1.61 1.03 -1.26 -4.73 118.70 116.70 2wsq s GLU 129 Ca 0.00 -1.26 -0.04 0.00 0.03 0.00 0.00 54.97 53.70 2wsq s GLU 129 Cb 0.00 -2.54 0.01 0.00 -0.80 0.00 0.00 34.13 30.80 2wsq s GLU 129 CO 0.00 0.05 0.85 0.95 -1.33 0.00 0.00 175.26 175.79 2wsq s THR 130 N -2.30 3.52 0.22 1.83 -4.23 -1.26 0.31 115.64 113.72 2wsq s THR 130 Ca 0.43 -0.18 -0.09 0.00 -1.18 0.00 0.00 61.69 60.67 2wsq s THR 130 Cb -0.06 -3.38 0.17 0.00 1.34 0.00 0.00 72.50 70.56 2wsq s THR 130 CO 0.28 -0.36 1.86 0.25 -0.54 0.00 0.00 174.62 176.11 2wsq h LEU 131 N -0.08 0.81 -0.66 4.79 5.85 -1.96 -0.35 115.31 123.71 2wsq h LEU 131 Ca -0.45 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.28 2wsq h LEU 131 Cb 1.26 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 2wsq h LEU 131 CO 0.59 0.57 0.43 -0.61 -0.34 0.00 0.00 178.44 179.08 2wsq h GLN 132 N 0.96 0.84 -0.57 1.25 4.15 -1.99 -0.71 115.11 119.04 2wsq h GLN 132 Ca 0.30 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.61 2wsq h GLN 132 Cb -0.02 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 2wsq h GLN 132 CO -0.10 0.55 0.14 0.93 -1.93 0.00 0.00 178.83 178.42 2wsq h GLU 133 N 0.86 0.91 0.10 1.69 5.08 -1.85 -0.36 114.58 121.02 2wsq h GLU 133 Ca 0.25 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2wsq h GLU 133 Cb -0.06 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.07 2wsq h GLU 133 CO -0.07 0.85 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.65 2wsq h ARG 134 N 0.82 -0.13 -0.28 2.33 9.65 -0.77 0.14 114.38 126.13 2wsq h ARG 134 Ca 0.18 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 59.03 2wsq h ARG 134 Cb 0.35 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 2wsq h ARG 134 CO 0.00 -0.07 -0.01 0.93 2.80 0.00 0.00 179.97 183.63 2wsq h GLU 135 N -0.15 0.42 0.00 0.20 5.08 -1.07 -1.79 114.58 117.27 2wsq h GLU 135 Ca -0.01 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2wsq h GLU 135 Cb 0.12 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2wsq h GLU 135 CO 0.02 0.46 0.00 -1.13 -1.00 0.00 0.00 179.01 177.36 2wsq n SER 136 N -4.31 0.00 -0.54 1.42 3.41 -0.15 -4.91 113.62 108.55 2wsq n SER 136 Ca 0.01 -0.67 -0.05 0.00 -0.26 0.00 0.00 58.87 57.90 2wsq n SER 136 Cb 0.22 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.09 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 0.82 0.29 0.45 5.00 0.00 -0.67 -4.97 105.19 106.10 2wsq n GLY 137 Ca 0.19 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.77 2.28 -0.22 1.61 1.74 0.45 -4.73 116.66 116.02 2wsq n ARG 138 Ca -0.06 -2.52 -0.00 0.00 -0.77 0.00 0.00 57.85 54.50 2wsq n ARG 138 Cb 0.47 -1.56 0.11 0.00 -1.02 0.00 0.00 32.46 30.45 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 0.92 0.88 -0.12 0.55 2.02 -1.84 -1.85 112.91 113.47 2wsq h THR 139 Ca 0.00 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 2wsq h THR 139 Cb 1.10 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2wsq h THR 139 CO 0.09 0.10 -0.02 0.00 0.37 0.00 0.00 175.52 176.07 2wsq h ALA 140 N 1.39 0.16 -0.79 6.16 0.00 -1.94 0.18 119.26 124.42 2wsq h ALA 140 Ca 0.31 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2wsq h ALA 140 Cb 0.29 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2wsq h ALA 140 CO -0.24 -0.12 0.50 0.28 0.00 0.00 0.00 179.25 179.67 2wsq h VAL 141 N -0.07 1.10 -0.09 0.00 2.07 -1.84 -1.13 116.25 116.29 2wsq h VAL 141 Ca 0.03 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 2wsq h VAL 141 Cb 0.41 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2wsq h VAL 141 CO 0.01 0.18 -0.14 0.58 0.02 0.00 0.00 177.57 178.22 2wsq h VAL 142 N 0.96 1.39 -0.55 2.57 2.07 -1.23 -2.12 116.25 119.34 2wsq h VAL 142 Ca 0.32 -1.38 -0.07 0.00 0.82 0.00 0.00 66.70 66.39 2wsq h VAL 142 Cb 0.05 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 2wsq h VAL 142 CO -0.13 0.39 0.07 0.58 0.02 0.00 0.00 177.57 178.50 2wsq h VAL 143 N -0.20 1.26 -0.66 2.57 2.07 -0.57 -2.50 116.25 118.22 2wsq h VAL 143 Ca 0.01 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.46 2wsq h VAL 143 Cb 0.70 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2wsq h VAL 143 CO 0.03 0.36 0.14 0.25 0.02 0.00 0.00 177.57 178.37 2wsq h LEU 144 N 0.82 1.00 -0.64 2.57 5.85 -1.25 -2.14 115.31 121.52 2wsq h LEU 144 Ca 0.17 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2wsq h LEU 144 Cb 0.44 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2wsq h LEU 144 CO 0.01 0.98 0.36 0.74 -0.34 0.00 0.00 178.44 180.19 2wsq h THR 145 N 1.00 1.20 -0.06 1.05 2.02 -1.25 -0.73 112.91 116.15 2wsq h THR 145 Ca 0.21 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 2wsq h THR 145 Cb 0.38 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2wsq h THR 145 CO 0.00 0.21 0.03 1.56 0.37 0.00 0.00 175.52 177.70 2wsq h GLN 146 N 0.87 0.08 -0.69 6.66 4.20 -1.06 -2.03 115.11 123.14 2wsq h GLN 146 Ca 0.23 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 2wsq h GLN 146 Cb 0.03 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 2wsq h GLN 146 CO -0.04 0.14 0.18 0.97 -0.67 0.00 0.00 178.83 179.42 2wsq h ILE 147 N -0.00 1.26 -0.53 2.54 6.09 -1.32 -2.18 117.51 123.36 2wsq h ILE 147 Ca 0.02 -0.94 0.01 0.00 -1.37 0.00 0.00 64.86 62.58 2wsq h ILE 147 Cb 0.09 0.53 -0.03 0.00 0.47 0.00 0.00 36.82 37.88 2wsq h ILE 147 CO -0.00 0.36 0.34 0.00 -3.07 0.00 0.00 178.15 175.78 2wsq h ALA 148 N 1.15 0.67 -0.04 0.18 0.00 -1.10 0.40 119.26 120.52 2wsq h ALA 148 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2wsq h ALA 148 Cb 0.35 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2wsq h ALA 148 CO -0.00 0.09 0.03 0.00 0.00 0.00 0.00 179.25 179.37 2wsq h ALA 149 N 1.20 0.05 -0.48 0.00 0.00 -1.15 -1.07 119.26 117.82 2wsq h ALA 149 Ca 0.20 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.16 2wsq h ALA 149 Cb -0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2wsq h ALA 149 CO -0.05 -0.44 0.15 0.82 0.00 0.00 0.00 179.25 179.73 2wsq h ILE 150 N 0.04 0.82 -0.92 0.00 2.04 -1.20 -2.50 117.51 115.79 2wsq h ILE 150 Ca 0.01 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.84 2wsq h ILE 150 Cb 0.01 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 2wsq h ILE 150 CO -0.00 0.06 0.60 0.00 0.00 0.00 0.00 178.15 178.80 2wsq h ALA 151 N 1.33 1.52 -0.79 1.87 0.00 -0.52 -2.47 119.26 120.21 2wsq h ALA 151 Ca 0.23 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.20 2wsq h ALA 151 Cb 0.25 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 2wsq h ALA 151 CO -0.25 0.32 0.45 -0.22 0.00 0.00 0.00 179.25 179.56 2wsq h LYS 152 N 1.02 0.77 -0.01 0.00 3.64 -0.74 -2.58 116.57 118.68 2wsq h LYS 152 Ca 0.40 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2wsq h LYS 152 Cb 0.25 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2wsq h LYS 152 CO -0.16 0.51 -0.12 1.63 -2.27 0.00 0.00 179.45 179.04 2wsq n LYS 153 N -4.73 1.19 -4.35 1.90 4.76 -0.94 -4.90 118.16 111.09 2wsq n LYS 153 Ca 0.12 -0.65 -0.31 0.00 -2.87 0.00 0.00 58.31 54.60 2wsq n LYS 153 Cb 0.23 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 31.83 2wsq n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wsq s LEU 154 N -2.26 3.14 0.44 -0.35 1.02 -0.97 -4.80 118.68 114.89 2wsq s LEU 154 Ca 0.32 -0.24 -0.18 0.00 0.02 0.00 0.00 54.13 54.05 2wsq s LEU 154 Cb 0.20 -1.86 -0.09 0.00 0.02 0.00 0.00 46.19 44.46 2wsq s LEU 154 CO 0.43 0.23 0.91 -0.54 0.02 0.00 0.00 176.35 177.40 2wsq s LYS 155 N -1.79 4.07 0.27 1.70 1.02 -1.26 -4.94 119.74 118.81 2wsq s LYS 155 Ca 0.20 0.94 -0.01 0.00 0.02 0.00 0.00 55.97 57.12 2wsq s LYS 155 Cb -0.11 -2.23 0.50 0.00 -0.52 0.00 0.00 37.83 35.48 2wsq s LYS 155 CO 0.11 -0.07 1.83 -0.22 -0.92 0.00 0.00 175.35 176.08 2wsq h LYS 156 N 1.62 0.91 0.00 1.68 3.64 -1.98 0.27 116.57 122.71 2wsq h LYS 156 Ca -0.48 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 2wsq h LYS 156 Cb 1.18 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2wsq h LYS 156 CO 0.62 0.60 -0.06 0.00 -2.27 0.00 0.00 179.45 178.34 2wsq h ALA 157 N 1.51 1.31 0.00 5.00 0.00 -2.02 -2.89 119.26 122.18 2wsq h ALA 157 Ca 0.47 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 2wsq h ALA 157 Cb 0.44 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2wsq h ALA 157 CO -0.26 0.08 -0.11 -0.44 0.00 0.00 0.00 179.25 178.52 2wsq h ASP 158 N 0.00 0.00 0.22 0.00 3.32 -0.84 -3.16 116.42 115.96 2wsq h ASP 158 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wsq h ASP 158 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2wsq h ASP 158 CO 0.01 0.11 0.00 -0.50 -1.72 0.00 0.00 179.24 177.14 2wsq h TRP 159 N 0.00 0.00 -0.01 4.55 4.06 -1.57 -0.30 115.95 122.68 2wsq h TRP 159 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2wsq h TRP 159 Cb 0.38 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.54 2wsq h TRP 159 CO 0.00 0.00 0.03 0.00 -3.56 0.00 0.00 178.44 174.91 2wsq h ALA 160 N 2.01 1.14 -0.12 1.49 0.00 -1.79 -2.48 119.26 119.51 2wsq h ALA 160 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wsq h ALA 160 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wsq h ALA 160 CO 0.00 -0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.85 2wsq n LYS 161 N -3.23 1.49 -4.30 0.00 4.76 -0.12 -4.99 118.16 111.76 2wsq n LYS 161 Ca -0.03 -1.59 -0.26 0.00 -2.87 0.00 0.00 58.31 53.55 2wsq n LYS 161 Cb 0.10 -1.31 -0.09 0.00 -1.84 0.00 0.00 35.03 31.89 2wsq n LYS 161 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2wsq s VAL 162 N -1.20 3.14 -0.03 -0.18 -7.23 -0.94 -1.06 120.40 112.89 2wsq s VAL 162 Ca 0.21 -1.72 -0.01 0.00 -1.81 0.00 0.00 61.98 58.65 2wsq s VAL 162 Cb 0.13 -2.56 0.03 0.00 0.56 0.00 0.00 36.38 34.54 2wsq s VAL 162 CO 0.20 -0.14 0.06 -0.69 -0.31 0.00 0.00 175.10 174.22 2wsq s VAL 163 N -1.76 -0.05 -0.16 1.32 1.01 0.67 -4.64 120.40 116.79 2wsq s VAL 163 Ca 0.25 0.18 -0.08 0.00 0.00 0.00 0.00 61.98 62.33 2wsq s VAL 163 Cb -0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 2wsq s VAL 163 CO 0.15 0.07 0.12 -0.63 0.00 0.00 0.00 175.10 174.81 2wsq s ILE 164 N 0.95 5.33 -0.24 2.22 -1.09 -0.54 -0.05 121.20 127.79 2wsq s ILE 164 Ca -0.08 0.15 -0.04 0.00 -2.23 0.00 0.00 60.65 58.46 2wsq s ILE 164 Cb -0.11 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 2wsq s ILE 164 CO -0.03 0.53 -0.02 0.00 -1.23 0.00 0.00 174.94 174.18 2wsq s ALA 165 N -0.28 2.85 -0.44 9.38 0.00 -0.24 -0.32 121.76 132.70 2wsq s ALA 165 Ca 0.11 -1.27 -0.27 0.00 0.00 0.00 0.00 51.96 50.53 2wsq s ALA 165 Cb -0.12 -1.79 0.03 0.00 0.00 0.00 0.00 23.12 21.24 2wsq s ALA 165 CO 0.01 -0.58 1.01 -0.47 0.00 0.00 0.00 175.76 175.72 2wsq s TYR 166 N 1.46 2.93 -0.55 0.00 5.04 0.17 -0.80 117.35 125.59 2wsq s TYR 166 Ca 0.04 0.62 0.04 0.00 -2.44 0.00 0.00 57.07 55.33 2wsq s TYR 166 Cb -0.15 -4.06 0.16 0.00 0.35 0.00 0.00 41.96 38.26 2wsq s TYR 166 CO -0.02 -1.09 0.39 -2.00 -1.34 0.00 0.00 175.55 171.49 2wsq s GLU 167 N 3.94 1.67 0.27 4.97 2.12 0.91 -1.27 118.70 131.31 2wsq s GLU 167 Ca 0.41 -2.65 -0.30 0.00 0.36 0.00 0.00 54.97 52.79 2wsq s GLU 167 Cb -0.09 -2.48 -0.12 0.00 0.26 0.00 0.00 34.13 31.69 2wsq s GLU 167 CO 0.26 -1.30 1.51 -0.35 -0.54 0.00 0.00 175.26 174.84 2wsq n PRO 168 N 2.57 2.42 -0.17 4.30 -0.04 -1.26 -4.30 135.00 138.52 2wsq n PRO 168 Ca 0.22 0.86 0.02 0.00 -0.04 0.00 0.00 63.50 64.56 2wsq n PRO 168 Cb 0.40 -2.59 0.30 0.00 -0.04 0.00 0.00 33.50 31.57 2wsq n PRO 168 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wsq h VAL 169 N 3.20 1.15 0.00 0.52 2.07 -0.43 -1.79 116.25 120.97 2wsq h VAL 169 Ca -0.46 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2wsq h VAL 169 Cb 1.25 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2wsq h VAL 169 CO 0.77 0.16 0.00 -2.67 0.02 0.00 0.00 177.57 175.85 2wsq n TRP 170 N -4.44 0.37 1.06 1.57 4.27 -1.26 -2.60 117.44 116.41 2wsq n TRP 170 Ca 0.08 0.16 0.11 0.00 -3.89 0.00 0.00 57.50 53.96 2wsq n TRP 170 Cb 0.07 -0.75 0.11 0.00 -1.36 0.00 0.00 31.31 29.37 2wsq n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2wsq n ALA 171 N -1.63 3.75 -2.69 -1.67 0.00 -0.67 -4.64 120.51 112.96 2wsq n ALA 171 Ca 0.02 -0.52 -0.43 0.00 0.00 0.00 0.00 53.44 52.51 2wsq n ALA 171 Cb 0.14 -0.93 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.71 4.48 -1.33 0.00 1.01 -1.07 -1.93 121.20 119.64 2wsq s ILE 172 Ca 0.16 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2wsq s ILE 172 Cb 0.18 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 38.14 2wsq s ILE 172 CO 0.66 -1.08 0.00 0.61 0.00 0.00 0.00 174.94 175.13 2wsq n GLY 173 N 5.14 1.34 0.05 6.18 0.00 -1.26 -4.86 105.19 111.78 2wsq n GLY 173 Ca -0.00 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.62 0.00 -0.88 2.61 -2.24 -1.26 -4.98 114.28 104.91 2wsq n THR 174 Ca -0.13 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2wsq n THR 174 Cb 0.42 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 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 1.30 0.99 3.30 3.38 0.00 -1.26 -4.96 105.19 107.93 2wsq n GLY 175 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 2wsq n GLY 175 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wsq s LYS 176 N -0.11 3.15 0.41 1.61 2.20 -1.26 -5.02 119.74 120.72 2wsq s LYS 176 Ca 0.00 -2.03 -0.23 0.00 -0.36 0.00 0.00 55.97 53.35 2wsq s LYS 176 Cb 0.00 -4.29 -0.10 0.00 -1.51 0.00 0.00 37.83 31.94 2wsq s LYS 176 CO 0.00 -1.30 1.00 0.08 -0.36 0.00 0.00 175.35 174.78 2wsq s VAL 177 N 0.97 3.99 0.32 4.02 1.01 -1.26 -4.18 120.40 125.27 2wsq s VAL 177 Ca 0.09 1.42 -0.29 0.00 0.00 0.00 0.00 61.98 63.21 2wsq s VAL 177 Cb -0.22 -3.68 -0.11 0.00 0.00 0.00 0.00 36.38 32.37 2wsq s VAL 177 CO -0.02 -0.09 1.44 0.00 0.00 0.00 0.00 175.10 176.42 2wsq s ALA 178 N -1.84 3.59 0.81 5.51 0.00 -1.26 -4.99 121.76 123.58 2wsq s ALA 178 Ca 0.59 1.42 -0.11 0.00 0.00 0.00 0.00 51.96 53.86 2wsq s ALA 178 Cb -0.17 -3.56 0.08 0.00 0.00 0.00 0.00 23.12 19.47 2wsq s ALA 178 CO 0.22 -0.85 1.13 0.95 0.00 0.00 0.00 175.76 177.21 2wsq s THR 179 N -0.71 2.70 0.49 0.00 -4.23 -1.26 -4.72 115.64 107.90 2wsq s THR 179 Ca 0.55 0.25 0.15 0.00 -1.18 0.00 0.00 61.69 61.46 2wsq s THR 179 Cb -0.44 -2.57 0.29 0.00 1.34 0.00 0.00 72.50 71.12 2wsq s THR 179 CO 0.53 -0.27 2.09 -0.65 -0.54 0.00 0.00 174.62 175.78 2wsq h PRO 180 N -1.19 0.16 -0.04 3.99 0.11 -1.94 -0.63 132.00 132.46 2wsq h PRO 180 Ca -0.44 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2wsq h PRO 180 Cb 1.26 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2wsq h PRO 180 CO 0.48 0.11 0.00 1.96 -0.21 0.00 0.00 178.00 180.34 2wsq h GLN 181 N 0.17 0.08 -0.15 1.05 7.50 -1.99 -0.49 115.11 121.28 2wsq h GLN 181 Ca 0.10 -0.02 0.03 0.00 0.50 0.00 0.00 58.65 59.26 2wsq h GLN 181 Cb 0.20 -0.01 -0.03 0.00 0.05 0.00 0.00 27.48 27.69 2wsq h GLN 181 CO -0.02 0.34 -0.02 1.96 -1.50 0.00 0.00 178.83 179.60 2wsq h GLN 182 N -0.20 0.03 0.16 1.46 4.20 -1.72 -0.63 115.11 118.40 2wsq h GLN 182 Ca 0.01 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2wsq h GLN 182 Cb 0.31 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.08 2wsq h GLN 182 CO 0.00 0.02 -0.07 0.00 -0.67 0.00 0.00 178.83 178.10 2wsq h ALA 183 N 1.14 -0.21 -0.61 3.87 0.00 -1.07 -2.82 119.26 119.57 2wsq h ALA 183 Ca 0.07 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2wsq h ALA 183 Cb 0.10 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2wsq h ALA 183 CO -0.14 -0.58 0.34 0.37 0.00 0.00 0.00 179.25 179.25 2wsq h GLN 184 N -0.29 0.64 -0.28 0.00 5.75 -0.91 -0.79 115.11 119.23 2wsq h GLN 184 Ca -0.02 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.46 2wsq h GLN 184 Cb 0.23 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 2wsq h GLN 184 CO 0.04 0.42 0.12 1.49 -2.65 0.00 0.00 178.83 178.25 2wsq h GLU 185 N 0.66 0.25 -0.29 1.69 4.81 -1.07 -0.48 114.58 120.15 2wsq h GLU 185 Ca 0.26 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.37 2wsq h GLU 185 Cb 0.11 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2wsq h GLU 185 CO -0.15 0.17 -0.23 1.15 -0.73 0.00 0.00 179.01 179.22 2wsq h THR 186 N 0.26 1.30 -0.91 0.32 2.02 -1.25 -1.86 112.91 112.79 2wsq h THR 186 Ca 0.12 -1.38 0.04 0.00 0.77 0.00 0.00 66.41 65.96 2wsq h THR 186 Cb 0.06 1.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.95 2wsq h THR 186 CO -0.10 0.44 0.59 0.45 0.37 0.00 0.00 175.52 177.27 2wsq h HIS 187 N 0.42 1.10 -0.51 3.16 3.86 -0.99 0.21 115.15 122.40 2wsq h HIS 187 Ca 0.05 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.21 2wsq h HIS 187 Cb 0.78 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 2wsq h HIS 187 CO 0.07 0.62 -0.02 0.00 0.86 0.00 0.00 177.93 179.46 2wsq h ALA 188 N 1.39 1.00 -0.31 2.45 0.00 -1.05 0.12 119.26 122.86 2wsq h ALA 188 Ca 0.37 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2wsq h ALA 188 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wsq h ALA 188 CO -0.13 0.61 0.15 1.25 0.00 0.00 0.00 179.25 181.13 2wsq h LEU 189 N 0.81 0.40 -0.02 0.00 5.85 -0.48 -1.43 115.31 120.45 2wsq h LEU 189 Ca 0.15 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2wsq h LEU 189 Cb 0.51 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 2wsq h LEU 189 CO 0.03 0.42 -0.01 0.40 -0.34 0.00 0.00 178.44 178.94 2wsq h ILE 190 N 0.36 1.33 -0.96 4.05 2.04 -0.70 -2.36 117.51 121.27 2wsq h ILE 190 Ca 0.11 -1.00 0.02 0.00 1.00 0.00 0.00 64.86 64.99 2wsq h ILE 190 Cb 0.12 1.97 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 2wsq h ILE 190 CO -0.01 0.26 0.63 -0.09 0.00 0.00 0.00 178.15 178.94 2wsq h ARG 191 N -0.37 1.22 -0.72 2.37 2.43 -0.94 -1.67 114.38 116.70 2wsq h ARG 191 Ca 0.00 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 2wsq h ARG 191 Cb 0.43 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 2wsq h ARG 191 CO 0.00 0.81 0.33 1.03 -1.51 0.00 0.00 179.97 180.63 2wsq h SER 192 N 1.26 0.93 -0.28 -3.80 0.87 -1.21 -0.58 113.55 110.75 2wsq h SER 192 Ca 0.37 -0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.73 2wsq h SER 192 Cb -0.08 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.64 2wsq h SER 192 CO -0.10 0.80 -0.18 -0.25 -0.53 0.00 0.00 176.83 176.57 2wsq h TRP 193 N 1.02 0.72 -0.61 2.24 7.01 -1.03 -1.46 115.95 123.84 2wsq h TRP 193 Ca 0.25 -0.19 0.01 0.00 2.11 0.00 0.00 58.89 61.06 2wsq h TRP 193 Cb 0.12 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.99 2wsq h TRP 193 CO 0.01 0.88 0.40 0.28 -2.79 0.00 0.00 178.44 177.22 2wsq h VAL 194 N 0.35 1.15 -0.10 2.65 2.07 -1.12 0.26 116.25 121.51 2wsq h VAL 194 Ca 0.06 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 2wsq h VAL 194 Cb 0.72 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2wsq h VAL 194 CO 0.05 0.15 0.06 -1.28 0.02 0.00 0.00 177.57 176.57 2wsq h SER 195 N 0.81 0.12 0.01 0.57 0.87 -0.95 0.41 113.55 115.39 2wsq h SER 195 Ca 0.22 -0.05 -0.23 0.00 -1.23 0.00 0.00 61.79 60.50 2wsq h SER 195 Cb -0.09 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 61.85 2wsq h SER 195 CO -0.05 0.14 -0.86 0.28 -0.53 0.00 0.00 176.83 175.80 2wsq h SER 196 N 0.09 0.82 0.41 6.23 0.02 -1.04 -3.03 113.55 117.06 2wsq h SER 196 Ca 0.04 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2wsq h SER 196 Cb 0.04 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.33 2wsq h SER 196 CO -0.01 1.38 -1.07 0.29 -1.14 0.00 0.00 176.83 176.28 2wsq n LYS 197 N -3.88 0.31 0.02 3.45 4.76 0.89 -4.74 118.16 118.96 2wsq n LYS 197 Ca -0.08 -0.01 -0.01 0.00 -2.87 0.00 0.00 58.31 55.34 2wsq n LYS 197 Cb 0.79 -1.59 -0.00 0.00 -1.84 0.00 0.00 35.03 32.38 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 -1.99 0.79 0.00 -0.18 2.08 0.14 -5.04 119.36 115.16 2wsq n ILE 198 Ca 0.02 0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.58 2wsq n ILE 198 Cb 0.44 -1.45 0.00 0.00 -0.75 0.00 0.00 39.64 37.88 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 3.23 1.96 0.11 7.39 0.00 -0.66 -4.99 105.19 112.23 2wsq n GLY 199 Ca -0.01 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 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 0.21 -0.38 4.61 0.00 -1.83 -1.96 119.26 119.91 2wsq h ALA 200 Ca 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2wsq h ALA 200 Cb 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2wsq h ALA 200 CO 0.00 -0.42 -0.06 -0.44 0.00 0.00 0.00 179.25 178.33 2wsq h ASP 201 N 0.08 0.71 -0.76 0.00 3.32 -1.96 -1.58 116.42 116.23 2wsq h ASP 201 Ca 0.11 -0.35 0.15 0.00 0.02 0.00 0.00 57.03 56.97 2wsq h ASP 201 Cb 0.13 -0.19 -0.10 0.00 0.22 0.00 0.00 39.33 39.39 2wsq h ASP 201 CO -0.18 0.89 0.26 0.58 -1.72 0.00 0.00 179.24 179.07 2wsq h VAL 202 N 0.52 0.59 -0.26 -1.35 2.07 -1.91 -1.19 116.25 114.71 2wsq h VAL 202 Ca 0.10 -0.13 -0.13 0.00 0.82 0.00 0.00 66.70 67.36 2wsq h VAL 202 Cb 0.56 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2wsq h VAL 202 CO 0.03 0.07 -0.34 0.00 0.02 0.00 0.00 177.57 177.34 2wsq h ALA 203 N 1.58 0.39 -0.80 1.67 0.00 -1.14 -1.47 119.26 119.49 2wsq h ALA 203 Ca 0.43 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2wsq h ALA 203 Cb 0.69 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2wsq h ALA 203 CO -0.45 0.45 0.53 0.78 0.00 0.00 0.00 179.25 180.55 2wsq h GLY 204 N 0.41 1.12 0.60 0.00 0.00 -0.77 -2.97 103.07 101.46 2wsq h GLY 204 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2wsq h GLY 204 CO 0.08 0.33 -0.87 1.18 0.00 0.00 0.00 176.54 177.26 2wsq n GLU 205 N -4.45 0.15 -1.83 4.80 1.02 -0.50 -4.51 120.64 115.32 2wsq n GLU 205 Ca 0.10 -0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.82 2wsq n GLU 205 Cb 0.12 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 29.96 2wsq n GLU 205 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2wsq s LEU 206 N -3.50 4.38 -0.17 -4.62 2.96 -0.57 -4.83 118.68 112.34 2wsq s LEU 206 Ca 0.07 2.60 -0.26 0.00 -0.22 0.00 0.00 54.13 56.31 2wsq s LEU 206 Cb 0.16 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.27 2wsq s LEU 206 CO 0.79 -0.94 0.89 -0.13 -1.32 0.00 0.00 176.35 175.63 2wsq s ARG 207 N 2.76 4.31 -0.26 1.98 3.00 -1.26 -4.94 118.95 124.55 2wsq s ARG 207 Ca 0.77 1.13 0.02 0.00 0.00 0.00 0.00 55.73 57.65 2wsq s ARG 207 Cb -0.42 -3.58 0.06 0.00 0.00 0.00 0.00 34.95 31.01 2wsq s ARG 207 CO 0.34 -0.36 -0.08 0.42 0.00 0.00 0.00 175.30 175.62 2wsq s ILE 208 N 2.26 1.98 0.17 1.52 1.01 -1.25 -1.46 121.20 125.43 2wsq s ILE 208 Ca 0.41 -1.57 -0.02 0.00 0.00 0.00 0.00 60.65 59.47 2wsq s ILE 208 Cb -0.17 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 2wsq s ILE 208 CO 0.13 -0.10 0.38 -0.76 0.00 0.00 0.00 174.94 174.58 2wsq s LEU 209 N 1.18 4.24 -0.14 2.97 1.43 0.56 -1.50 118.68 127.42 2wsq s LEU 209 Ca -0.06 0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 53.42 2wsq s LEU 209 Cb -0.20 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 2wsq s LEU 209 CO -0.06 -0.00 0.13 -0.47 0.23 0.00 0.00 176.35 176.18 2wsq s TYR 210 N -1.78 3.52 0.03 0.29 5.04 -0.65 0.42 117.35 124.22 2wsq s TYR 210 Ca 0.39 0.45 0.03 0.00 -2.44 0.00 0.00 57.07 55.50 2wsq s TYR 210 Cb -0.11 -2.01 -0.02 0.00 0.35 0.00 0.00 41.96 40.17 2wsq s TYR 210 CO 0.28 0.58 -0.09 0.20 -1.34 0.00 0.00 175.55 175.17 2wsq s GLY 211 N -0.57 0.53 0.00 8.97 0.00 -0.40 -0.84 107.32 115.02 2wsq s GLY 211 Ca 0.12 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.20 2wsq s GLY 211 CO 0.02 -0.65 0.00 0.61 0.00 0.00 0.00 173.10 173.08 2wsq n GLY 212 N 1.98 1.77 2.19 0.20 0.00 -1.25 -4.09 105.19 105.98 2wsq n GLY 212 Ca -0.19 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.36 -4.77 1.61 7.64 -0.81 -4.37 113.62 109.55 2wsq n SER 213 Ca 0.00 0.03 -0.39 0.00 1.01 0.00 0.00 58.87 59.52 2wsq n SER 213 Cb 0.00 -2.47 -0.03 0.00 -1.01 0.00 0.00 64.21 60.70 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 -2.44 3.29 0.31 0.44 1.01 -1.26 -4.66 120.40 117.09 2wsq s VAL 214 Ca 0.00 1.18 -0.05 0.00 0.00 0.00 0.00 61.98 63.11 2wsq s VAL 214 Cb 0.00 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 2wsq s VAL 214 CO 0.00 0.19 0.46 0.54 0.00 0.00 0.00 175.10 176.29 2wsq s ASN 215 N -1.01 0.62 0.61 3.32 2.20 -1.26 -4.44 114.94 114.97 2wsq s ASN 215 Ca 0.51 -1.35 0.36 0.00 -0.94 0.00 0.00 52.86 51.44 2wsq s ASN 215 Cb -0.31 0.63 1.96 0.00 -2.00 0.00 0.00 41.25 41.53 2wsq s ASN 215 CO 0.40 -1.24 2.25 1.23 -2.94 0.00 0.00 177.10 176.79 2wsq h GLY 216 N 2.17 0.00 0.00 0.45 0.00 -1.92 -2.11 103.07 101.66 2wsq h GLY 216 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2wsq h GLY 216 CO 0.39 0.00 -0.04 0.50 0.00 0.00 0.00 176.54 177.39 2wsq h LYS 217 N 0.00 0.00 0.00 4.80 1.57 -1.95 -3.39 116.57 117.60 2wsq h LYS 217 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wsq h LYS 217 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2wsq h LYS 217 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.15 2wsq n ASN 218 N -4.67 0.70 0.02 0.86 0.23 -1.18 -3.60 115.26 107.63 2wsq n ASN 218 Ca -0.01 0.62 -0.00 0.00 -0.53 0.00 0.00 54.58 54.66 2wsq n ASN 218 Cb 0.02 -0.79 0.30 0.00 -2.08 0.00 0.00 39.78 37.24 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 2.41 1.37 -0.05 -2.53 0.00 -1.57 -2.70 119.26 116.17 2wsq h ALA 219 Ca 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2wsq h ALA 219 Cb 0.53 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2wsq h ALA 219 CO 0.00 0.43 0.03 -0.09 0.00 0.00 0.00 179.25 179.63 2wsq h ARG 220 N 0.45 0.07 -0.04 0.00 2.43 -1.78 -1.37 114.38 114.13 2wsq h ARG 220 Ca 0.09 -0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 59.00 2wsq h ARG 220 Cb 0.37 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2wsq h ARG 220 CO 0.02 0.08 -0.97 1.15 -1.51 0.00 0.00 179.97 178.74 2wsq h THR 221 N 0.04 1.28 -0.77 0.20 2.02 -1.77 -3.10 112.91 110.81 2wsq h THR 221 Ca 0.02 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 65.02 2wsq h THR 221 Cb 0.03 2.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.68 2wsq h THR 221 CO -0.00 0.68 0.49 -0.07 0.37 0.00 0.00 175.52 176.98 2wsq h LEU 222 N 0.43 0.90 -1.35 2.58 3.38 -1.44 -2.68 115.31 117.14 2wsq h LEU 222 Ca -0.11 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2wsq h LEU 222 Cb 1.62 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 2wsq h LEU 222 CO 0.19 0.68 0.22 0.22 0.09 0.00 0.00 178.44 179.84 2wsq h TYR 223 N 1.05 0.66 0.00 1.13 3.20 -1.23 -2.40 116.97 119.37 2wsq h TYR 223 Ca 0.28 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.13 2wsq h TYR 223 Cb -0.08 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 37.98 2wsq h TYR 223 CO -0.01 0.49 -0.02 1.96 -1.64 0.00 0.00 178.16 178.94 2wsq h GLN 224 N 0.67 0.00 -6.83 1.82 1.08 -1.40 -3.43 115.11 107.01 2wsq h GLN 224 Ca 0.17 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.84 2wsq h GLN 224 Cb 0.09 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 27.60 2wsq h GLN 224 CO -0.02 0.02 0.80 -0.65 -0.95 0.00 0.00 178.83 178.03 2wsq s GLN 225 N -4.13 4.18 0.30 1.46 -1.52 -0.91 -4.92 119.66 114.13 2wsq s GLN 225 Ca -0.04 2.47 0.05 0.00 -1.95 0.00 0.00 55.36 55.90 2wsq s GLN 225 Cb 0.13 -3.04 0.71 0.00 -0.22 0.00 0.00 33.01 30.59 2wsq s GLN 225 CO 0.48 -0.51 1.78 -0.09 -0.25 0.00 0.00 175.29 176.69 2wsq h ARG 226 N 4.28 0.73 -0.53 2.91 1.12 -1.89 -2.17 114.38 118.83 2wsq h ARG 226 Ca -0.48 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.35 2wsq h ARG 226 Cb 1.22 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 31.02 2wsq h ARG 226 CO 0.74 0.48 0.00 -0.25 -3.11 0.00 0.00 179.97 177.83 2wsq n ASP 227 N -4.78 4.88 -4.56 -3.80 8.00 -1.26 -4.91 116.55 110.12 2wsq n ASP 227 Ca 0.22 -2.72 -0.37 0.00 0.71 0.00 0.00 54.79 52.63 2wsq n ASP 227 Cb 0.55 -0.59 -0.11 0.00 -0.02 0.00 0.00 41.12 40.94 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 -2.35 5.03 -0.17 2.53 1.01 -0.82 -4.68 120.40 120.96 2wsq s VAL 228 Ca 0.49 0.07 0.17 0.00 0.00 0.00 0.00 61.98 62.72 2wsq s VAL 228 Cb 0.35 -3.38 0.47 0.00 0.00 0.00 0.00 36.38 33.83 2wsq s VAL 228 CO 0.18 0.29 1.35 0.59 0.00 0.00 0.00 175.10 177.51 2wsq n ASN 229 N 4.91 3.49 0.00 3.32 4.13 -0.56 -4.86 115.26 125.68 2wsq n ASN 229 Ca -0.15 -3.04 0.00 0.00 1.68 0.00 0.00 54.58 53.08 2wsq n ASN 229 Cb 0.52 -0.52 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 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 -0.75 0.84 3.02 7.41 0.00 -1.26 -1.43 105.19 113.02 2wsq n GLY 230 Ca 0.20 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.70 0.36 -0.22 1.61 0.08 -0.37 -1.64 117.98 115.11 2wsq s PHE 231 Ca 0.00 -0.71 -0.05 0.00 0.12 0.00 0.00 56.93 56.30 2wsq s PHE 231 Cb 0.00 -0.26 -0.02 0.00 -0.57 0.00 0.00 43.02 42.17 2wsq s PHE 231 CO 0.00 -0.25 -0.02 -1.17 -0.10 0.00 0.00 175.22 173.68 2wsq s LEU 232 N -1.95 3.05 -0.17 -0.37 1.98 -0.02 -1.05 118.68 120.15 2wsq s LEU 232 Ca -0.08 -0.32 0.01 0.00 -2.89 0.00 0.00 54.13 50.84 2wsq s LEU 232 Cb -0.04 -1.78 0.02 0.00 0.66 0.00 0.00 46.19 45.05 2wsq s LEU 232 CO -0.04 0.00 -0.16 -0.69 -1.89 0.00 0.00 176.35 173.57 2wsq s VAL 233 N 1.37 1.78 0.00 1.68 1.01 0.25 -3.86 120.40 122.62 2wsq s VAL 233 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2wsq s VAL 233 Cb -0.14 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.57 2wsq s VAL 233 CO -0.01 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2wsq n GLY 234 N 4.70 1.03 0.39 4.51 0.00 -1.26 0.13 105.19 114.69 2wsq n GLY 234 Ca -0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 2wsq n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wsq n GLY 235 N 4.09 -2.20 0.00 -0.02 0.00 -1.26 0.17 105.19 105.97 2wsq n GLY 235 Ca 0.00 1.12 0.04 0.00 0.00 0.00 0.00 46.02 47.19 2wsq n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsq n ALA 236 N -3.41 1.48 0.33 4.61 0.00 -1.26 -2.24 120.51 120.03 2wsq n ALA 236 Ca 0.07 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.60 2wsq n ALA 236 Cb 0.35 -1.15 0.22 0.00 0.00 0.00 0.00 19.45 18.87 2wsq n ALA 236 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wsq h SER 237 N 0.00 0.00 -0.29 0.00 4.64 -0.48 -3.21 113.55 114.21 2wsq h SER 237 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2wsq h SER 237 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2wsq h SER 237 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 2wsq n LEU 238 N -2.82 2.79 -4.33 5.97 4.77 -0.95 -4.82 117.00 117.62 2wsq n LEU 238 Ca 0.04 -1.41 -0.17 0.00 -0.03 0.00 0.00 56.01 54.44 2wsq n LEU 238 Cb 0.50 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 2wsq n LEU 238 CO 0.34 0.44 -0.40 -0.54 -1.33 0.00 0.00 177.39 175.89 2wsq s LYS 239 N -1.73 1.29 0.57 3.23 1.02 -1.21 -5.04 119.74 117.86 2wsq s LYS 239 Ca 0.25 -1.60 0.36 0.00 0.02 0.00 0.00 55.97 55.00 2wsq s LYS 239 Cb 0.17 -0.90 1.65 0.00 -0.52 0.00 0.00 37.83 38.23 2wsq s LYS 239 CO 0.10 0.08 2.08 -1.00 -0.92 0.00 0.00 175.35 175.69 2wsq h PRO 240 N 2.56 0.00 0.00 -1.68 0.13 -1.89 -2.73 132.00 128.40 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 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wsq h PRO 240 CO 0.64 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.56 2wsq n GLU 241 N -3.03 0.21 0.23 0.86 0.28 -1.26 -1.22 120.64 116.71 2wsq n GLU 241 Ca -0.00 0.10 0.06 0.00 -0.16 0.00 0.00 57.16 57.16 2wsq n GLU 241 Cb 0.23 -1.50 0.54 0.00 1.43 0.00 0.00 31.44 32.14 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 0.00 -0.61 -1.84 3.57 -1.61 -1.26 116.94 115.20 2wsq h PHE 242 Ca 0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2wsq h PHE 242 Cb 0.04 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2wsq h PHE 242 CO 0.00 0.16 0.03 0.28 -2.23 0.00 0.00 178.31 176.55 2wsq h VAL 243 N 0.00 1.26 -0.17 1.41 2.07 -1.43 -0.56 116.25 118.83 2wsq h VAL 243 Ca -0.00 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.37 2wsq h VAL 243 Cb 0.30 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2wsq h VAL 243 CO 0.02 0.40 -0.12 0.44 0.02 0.00 0.00 177.57 178.34 2wsq h ASP 244 N 0.96 0.25 -0.46 0.57 3.32 -1.44 -0.66 116.42 118.95 2wsq h ASP 244 Ca 0.18 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 2wsq h ASP 244 Cb 0.51 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2wsq h ASP 244 CO 0.02 0.40 -0.07 0.40 -1.72 0.00 0.00 179.24 178.27 2wsq h ILE 245 N 0.25 1.27 0.19 0.35 2.04 -0.61 -0.68 117.51 120.31 2wsq h ILE 245 Ca 0.05 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 2wsq h ILE 245 Cb 0.37 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2wsq h ILE 245 CO 0.02 0.40 -0.09 0.40 0.00 0.00 0.00 178.15 178.88 2wsq h ILE 246 N 0.70 0.88 0.00 -0.67 2.04 -0.83 -2.54 117.51 117.09 2wsq h ILE 246 Ca 0.12 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2wsq h ILE 246 Cb 0.60 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2wsq h ILE 246 CO 0.04 0.07 0.00 0.11 0.00 0.00 0.00 178.15 178.37 2wsq h LYS 247 N -0.40 0.00 0.00 2.37 1.79 -1.05 -1.91 116.57 117.37 2wsq h LYS 247 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2wsq h LYS 247 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 2wsq h LYS 247 CO 0.04 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.41 2wsq n ALA 248 N -2.06 2.05 -1.17 3.86 0.00 -0.27 -4.20 120.51 118.72 2wsq n ALA 248 Ca -0.02 -0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.21 2wsq n ALA 248 Cb 0.10 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 18.01 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 -1.94 3.28 -1.98 0.00 -2.24 -0.72 -4.71 114.28 105.97 2wsq n THR 249 Ca 0.05 -2.03 0.00 0.00 -2.27 0.00 0.00 64.05 59.80 2wsq n THR 249 Cb 0.32 -1.98 0.00 0.00 -2.10 0.00 0.00 70.33 66.57 2wsq n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50