#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpj s VAL 17 N 0.00 5.38 -0.70 2.52 1.01 0.72 -4.13 120.40 125.20 2wpj s VAL 17 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2wpj s VAL 17 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2wpj s VAL 17 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 2wpj n GLY 18 N 2.84 0.86 0.00 4.51 0.00 -1.24 -1.40 105.19 110.75 2wpj n GLY 18 Ca -0.16 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2wpj n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wpj n GLY 19 N -1.67 1.62 3.19 -0.02 0.00 -1.26 -4.88 105.19 102.16 2wpj n GLY 19 Ca -0.07 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 43.92 2wpj n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wpj s GLU 20 N 2.86 0.95 0.15 1.61 2.02 -0.43 -4.92 118.70 120.94 2wpj s GLU 20 Ca 0.00 -1.35 -0.31 0.00 0.02 0.00 0.00 54.97 53.34 2wpj s GLU 20 Cb 0.00 0.27 -0.08 0.00 0.10 0.00 0.00 34.13 34.42 2wpj s GLU 20 CO 0.00 -0.28 1.35 -0.51 0.02 0.00 0.00 175.26 175.84 2wpj s ASP 21 N -3.01 6.86 0.65 -0.19 1.01 -1.26 -1.14 116.67 119.58 2wpj s ASP 21 Ca 0.21 2.36 -0.12 0.00 0.71 0.00 0.00 52.55 55.70 2wpj s ASP 21 Cb 0.07 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 2wpj s ASP 21 CO -0.00 -0.59 1.05 0.00 0.21 0.00 0.00 175.17 175.84 2wpj s ALA 22 N 0.63 2.78 0.29 5.23 0.00 0.03 -4.87 121.76 125.85 2wpj s ALA 22 Ca 0.61 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.64 2wpj s ALA 22 Cb -0.37 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 2wpj s ALA 22 CO 0.34 -1.01 0.56 0.15 0.00 0.00 0.00 175.76 175.80 2wpj s LYS 23 N -4.83 3.63 0.33 0.00 1.02 -1.26 -4.88 119.74 113.76 2wpj s LYS 23 Ca 0.59 0.01 -0.29 0.00 0.02 0.00 0.00 55.97 56.30 2wpj s LYS 23 Cb -0.14 -2.64 -0.12 0.00 -0.52 0.00 0.00 37.83 34.41 2wpj s LYS 23 CO 0.50 0.21 1.43 -2.30 -0.92 0.00 0.00 175.35 174.27 2wpj n PRO 24 N -0.94 2.40 -0.96 -1.68 -0.02 -1.26 -1.87 135.00 130.67 2wpj n PRO 24 Ca -0.02 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2wpj n PRO 24 Cb 0.54 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2wpj n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wpj n GLY 25 N 1.15 0.72 0.15 -1.23 0.00 -1.26 -4.90 105.19 99.82 2wpj n GLY 25 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 2wpj n GLY 25 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2wpj h GLN 26 N 2.01 0.22 -2.35 1.61 4.15 -1.72 -3.32 115.11 115.70 2wpj h GLN 26 Ca 0.00 -0.19 -0.59 0.00 0.77 0.00 0.00 58.65 58.64 2wpj h GLN 26 Cb 0.05 0.04 -0.40 0.00 0.21 0.00 0.00 27.48 27.38 2wpj h GLN 26 CO 0.00 0.87 -0.80 1.19 -1.93 0.00 0.00 178.83 178.16 2wpj n PHE 27 N -3.76 1.68 0.51 3.99 3.01 -1.26 -4.95 117.46 116.67 2wpj n PHE 27 Ca -0.03 -3.88 0.05 0.00 1.01 0.00 0.00 57.45 54.60 2wpj n PHE 27 Cb 0.72 -0.37 0.27 0.00 -0.01 0.00 0.00 39.48 40.08 2wpj n PHE 27 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2wpj n PRO 28 N 1.57 0.16 0.00 -1.08 -0.04 -1.25 -1.10 135.00 133.26 2wpj n PRO 28 Ca 0.25 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 64.00 2wpj n PRO 28 Cb 0.44 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.46 2wpj n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2wpj n TRP 29 N -1.27 0.00 -2.42 0.54 2.14 -1.10 -1.28 117.44 114.06 2wpj n TRP 29 Ca 0.05 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.21 2wpj n TRP 29 Cb 0.08 -0.12 -0.03 0.00 -0.81 0.00 0.00 31.31 30.42 2wpj n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2wpj s GLN 30 N -3.00 4.47 0.26 -2.67 2.00 -0.26 -0.87 119.66 119.58 2wpj s GLN 30 Ca 0.09 1.79 0.08 0.00 -2.00 0.00 0.00 55.36 55.33 2wpj s GLN 30 Cb 0.17 -3.31 -0.05 0.00 0.80 0.00 0.00 33.01 30.61 2wpj s GLN 30 CO 0.79 -0.18 -0.11 0.14 -0.50 0.00 0.00 175.29 175.43 2wpj s VAL 31 N 0.62 1.85 0.09 1.34 -7.23 -0.45 -4.35 120.40 112.28 2wpj s VAL 31 Ca 0.56 -2.20 0.07 0.00 -1.81 0.00 0.00 61.98 58.60 2wpj s VAL 31 Cb -0.30 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2wpj s VAL 31 CO 0.32 -0.40 -0.14 0.54 -0.31 0.00 0.00 175.10 175.11 2wpj s VAL 32 N -2.89 3.10 -0.10 1.32 0.11 -0.80 -2.01 120.40 119.14 2wpj s VAL 32 Ca 0.28 -1.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.03 2wpj s VAL 32 Cb 0.01 -2.41 -0.02 0.00 -1.53 0.00 0.00 36.38 32.43 2wpj s VAL 32 CO 0.11 0.17 -0.10 -0.76 -3.33 0.00 0.00 175.10 171.20 2wpj s LEU 33 N -1.98 2.97 0.06 2.54 1.43 -0.41 -1.39 118.68 121.89 2wpj s LEU 33 Ca 0.19 -0.17 0.08 0.00 -1.03 0.00 0.00 54.13 53.20 2wpj s LEU 33 Cb -0.11 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 2wpj s LEU 33 CO 0.10 0.26 -0.21 0.20 0.23 0.00 0.00 176.35 176.93 2wpj s ASN 34 N -0.22 2.58 0.00 2.29 0.01 0.04 -1.48 114.94 118.16 2wpj s ASN 34 Ca 0.02 -0.57 0.00 0.00 -0.71 0.00 0.00 52.86 51.60 2wpj s ASN 34 Cb -0.13 -0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.33 2wpj s ASN 34 CO 0.03 0.15 0.00 0.61 -1.51 0.00 0.00 177.10 176.38 2wpj n GLY 35 N 1.67 2.76 0.33 0.66 0.00 -1.26 -0.63 105.19 108.73 2wpj n GLY 35 Ca -0.18 0.03 0.21 0.00 0.00 0.00 0.00 46.02 46.08 2wpj n GLY 35 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wpj h LYS 36 N 0.00 0.00 -5.33 1.61 3.64 -1.97 -3.37 116.57 111.16 2wpj h LYS 36 Ca 0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 2wpj h LYS 36 Cb 0.00 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 31.52 2wpj h LYS 36 CO 0.00 0.00 -0.83 0.08 -2.27 0.00 0.00 179.45 176.43 2wpj s VAL 38 N -4.23 1.28 0.35 2.00 1.01 -1.26 -5.14 120.40 114.41 2wpj s VAL 38 Ca -0.05 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 2wpj s VAL 38 Cb 0.13 -1.09 -0.10 0.00 0.00 0.00 0.00 36.38 35.32 2wpj s VAL 38 CO 0.43 0.37 0.86 -0.62 0.00 0.00 0.00 175.10 176.14 2wpj s ASP 39 N -0.14 7.02 -1.33 3.32 -1.08 -1.26 -4.17 116.67 119.02 2wpj s ASP 39 Ca 0.01 1.59 -0.14 0.00 -0.52 0.00 0.00 52.55 53.49 2wpj s ASP 39 Cb -0.09 -2.49 0.01 0.00 -1.46 0.00 0.00 42.92 38.89 2wpj s ASP 39 CO 0.01 -0.19 0.48 0.00 0.52 0.00 0.00 175.17 175.98 2wpj n ALA 40 N -0.07 -2.30 0.65 3.66 0.00 -1.17 -4.87 120.51 116.42 2wpj n ALA 40 Ca 0.03 -0.39 0.11 0.00 0.00 0.00 0.00 53.44 53.20 2wpj n ALA 40 Cb 0.52 -2.21 0.01 0.00 0.00 0.00 0.00 19.45 17.78 2wpj n ALA 40 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2wpj n PHE 41 N -4.59 0.18 -3.85 0.00 -1.74 -0.55 -4.87 117.46 102.04 2wpj n PHE 41 Ca -0.21 0.05 -0.08 0.00 -0.56 0.00 0.00 57.45 56.65 2wpj n PHE 41 Cb 0.63 -0.35 -0.02 0.00 1.52 0.00 0.00 39.48 41.26 2wpj n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2wpj n GLY 43 N -0.44 2.90 3.80 0.00 0.00 0.66 -1.29 105.19 110.82 2wpj n GLY 43 Ca -0.05 -2.27 -0.02 0.00 0.00 0.00 0.00 46.02 43.68 2wpj n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wpj s GLY 44 N -3.43 -0.10 0.01 -0.02 0.00 -0.85 -3.43 107.32 99.50 2wpj s GLY 44 Ca 0.21 -0.00 0.03 0.00 0.00 0.00 0.00 44.72 44.96 2wpj s GLY 44 CO 0.13 1.30 -0.10 -0.56 0.00 0.00 0.00 173.10 173.88 2wpj s SER 45 N -3.19 1.13 -0.05 1.64 0.01 0.01 -1.34 113.70 111.92 2wpj s SER 45 Ca 0.17 -0.30 -0.30 0.00 1.31 0.00 0.00 55.95 56.84 2wpj s SER 45 Cb -0.01 -0.08 -0.05 0.00 0.21 0.00 0.00 66.02 66.09 2wpj s SER 45 CO 0.03 0.03 1.41 -0.63 0.41 0.00 0.00 173.24 174.49 2wpj s ILE 46 N -0.57 3.83 -0.17 1.44 1.01 -0.05 -0.80 121.20 125.89 2wpj s ILE 46 Ca 0.00 1.14 -0.20 0.00 0.00 0.00 0.00 60.65 61.59 2wpj s ILE 46 Cb -0.06 -3.73 -0.22 0.00 0.01 0.00 0.00 42.46 38.46 2wpj s ILE 46 CO 0.00 -0.04 0.34 0.58 0.00 0.00 0.00 174.94 175.82 2wpj h VAL 47 N 5.18 0.99 -2.29 2.92 2.07 -1.20 -1.24 116.25 122.68 2wpj h VAL 47 Ca -0.35 -2.25 -0.02 0.00 0.82 0.00 0.00 66.70 64.90 2wpj h VAL 47 Cb 1.16 2.45 -0.00 0.00 -1.52 0.00 0.00 31.29 33.38 2wpj h VAL 47 CO 0.93 0.47 0.05 -0.46 0.02 0.00 0.00 177.57 178.58 2wpj n ASN 48 N -4.25 -0.54 0.21 0.57 0.23 -1.11 -4.64 115.26 105.72 2wpj n ASN 48 Ca -0.29 -1.41 0.18 0.00 -0.53 0.00 0.00 54.58 52.53 2wpj n ASN 48 Cb 0.74 0.90 0.84 0.00 -2.08 0.00 0.00 39.78 40.18 2wpj n ASN 48 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2wpj h GLU 49 N 0.00 0.00 -0.01 -3.83 3.07 -1.96 -2.84 114.58 109.01 2wpj h GLU 49 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2wpj h GLU 49 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2wpj h GLU 49 CO 0.10 0.00 -0.03 1.63 -1.40 0.00 0.00 179.01 179.31 2wpj n LYS 50 N -3.63 0.49 -4.08 2.33 4.76 -1.26 -0.03 118.16 116.74 2wpj n LYS 50 Ca 0.02 -0.77 -0.16 0.00 -2.87 0.00 0.00 58.31 54.54 2wpj n LYS 50 Cb 0.37 -1.08 -0.15 0.00 -1.84 0.00 0.00 35.03 32.34 2wpj n LYS 50 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2wpj s TRP 51 N -0.63 0.38 0.02 2.13 0.52 -1.07 -0.67 118.94 119.62 2wpj s TRP 51 Ca 0.07 -0.07 0.08 0.00 0.02 0.00 0.00 56.10 56.20 2wpj s TRP 51 Cb 0.05 -0.29 -0.03 0.00 -1.15 0.00 0.00 33.47 32.05 2wpj s TRP 51 CO 0.09 -0.04 -0.23 0.42 0.02 0.00 0.00 176.95 177.22 2wpj s ILE 52 N 0.13 2.40 -0.12 2.03 -1.09 -0.27 -0.63 121.20 123.65 2wpj s ILE 52 Ca -0.01 -1.20 -0.02 0.00 -2.23 0.00 0.00 60.65 57.19 2wpj s ILE 52 Cb -0.04 -1.94 -0.03 0.00 -1.58 0.00 0.00 42.46 38.87 2wpj s ILE 52 CO -0.00 0.43 -0.05 0.54 -1.23 0.00 0.00 174.94 174.62 2wpj s VAL 53 N -0.79 3.79 0.00 2.92 0.11 0.02 -0.09 120.40 126.37 2wpj s VAL 53 Ca 0.12 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 2wpj s VAL 53 Cb -0.10 -2.62 0.00 0.00 -1.53 0.00 0.00 36.38 32.13 2wpj s VAL 53 CO 0.02 0.54 0.00 1.07 -3.33 0.00 0.00 175.10 173.40 2wpj n THR 54 N 3.02 0.00 -3.78 5.04 5.66 0.13 -0.81 114.28 123.55 2wpj n THR 54 Ca -0.18 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.45 2wpj n THR 54 Cb 0.53 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 2wpj n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wpj s ALA 55 N -1.71 3.81 0.45 1.79 0.00 -1.26 -0.91 121.76 123.93 2wpj s ALA 55 Ca 0.00 -0.55 0.20 0.00 0.00 0.00 0.00 51.96 51.61 2wpj s ALA 55 Cb 0.00 -2.09 1.24 0.00 0.00 0.00 0.00 23.12 22.27 2wpj s ALA 55 CO 0.00 0.53 2.05 0.00 0.00 0.00 0.00 175.76 178.33 2wpj h ALA 56 N 5.17 1.55 0.00 0.00 0.00 -1.69 -2.12 119.26 122.16 2wpj h ALA 56 Ca -0.52 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2wpj h ALA 56 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2wpj h ALA 56 CO 0.61 0.17 0.00 -2.39 0.00 0.00 0.00 179.25 177.65 2wpj n HIS 57 N -4.06 0.36 0.44 0.00 1.44 -1.26 -2.22 115.22 109.92 2wpj n HIS 57 Ca -0.02 0.14 0.12 0.00 -2.01 0.00 0.00 57.72 55.95 2wpj n HIS 57 Cb 0.22 -0.73 0.22 0.00 0.12 0.00 0.00 29.99 29.83 2wpj n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wpj n VAL 59 N -2.48 1.25 -2.29 0.00 0.24 -0.94 -5.00 118.33 109.12 2wpj n VAL 59 Ca 0.04 -2.53 -0.43 0.00 -2.04 0.00 0.00 64.34 59.38 2wpj n VAL 59 Cb 0.47 0.42 -0.02 0.00 -1.47 0.00 0.00 33.84 33.24 2wpj n VAL 59 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2wpj s GLU 60 N -2.29 4.22 0.00 7.34 2.02 -1.21 -4.67 118.70 124.12 2wpj s GLU 60 Ca 0.36 1.84 0.00 0.00 0.02 0.00 0.00 54.97 57.19 2wpj s GLU 60 Cb 0.37 -3.81 0.00 0.00 0.10 0.00 0.00 34.13 30.79 2wpj s GLU 60 CO -0.08 -0.73 0.00 -2.37 0.02 0.00 0.00 175.26 172.10 2wpj n THR 61 N 5.34 0.00 0.13 3.63 5.66 -1.26 -4.61 114.28 123.17 2wpj n THR 61 Ca 0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 2wpj n THR 61 Cb 0.44 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 2wpj n THR 61 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wpj n GLY 61 N 0.00 -0.62 0.00 1.09 0.00 -1.26 -5.15 105.19 99.25 2wpj n GLY 61 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2wpj n GLY 61 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wpj n VAL 61 N -3.26 0.00 -3.54 1.61 0.24 -1.26 -5.04 118.33 107.07 2wpj n VAL 61 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.00 2wpj n VAL 61 Cb 0.00 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 2wpj n VAL 61 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2wpj s LYS 62 N -1.52 3.64 0.04 7.34 -2.85 -1.26 -5.06 119.74 120.07 2wpj s LYS 62 Ca 0.00 -0.04 0.06 0.00 -1.00 0.00 0.00 55.97 54.99 2wpj s LYS 62 Cb 0.00 -2.76 -0.02 0.00 -2.06 0.00 0.00 37.83 32.99 2wpj s LYS 62 CO 0.00 0.36 -0.19 0.42 0.10 0.00 0.00 175.35 176.05 2wpj s ILE 63 N -1.83 1.49 0.00 3.79 1.01 -1.26 -4.50 121.20 119.89 2wpj s ILE 63 Ca 0.42 -1.13 0.00 0.00 0.00 0.00 0.00 60.65 59.95 2wpj s ILE 63 Cb -0.11 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.05 2wpj s ILE 63 CO 0.26 0.15 0.00 0.41 0.00 0.00 0.00 174.94 175.76 2wpj n THR 64 N 1.88 0.00 -3.22 2.92 -1.04 0.20 -2.53 114.28 112.50 2wpj n THR 64 Ca -0.17 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.88 2wpj n THR 64 Cb 0.54 -0.14 -0.03 0.00 -1.82 0.00 0.00 70.33 68.88 2wpj n THR 64 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wpj s VAL 65 N 0.43 -0.32 0.31 12.58 1.01 -0.49 -0.78 120.40 133.15 2wpj s VAL 65 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.03 2wpj s VAL 65 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 2wpj s VAL 65 CO 0.00 0.00 0.46 0.00 0.00 0.00 0.00 175.10 175.56 2wpj s ALA 66 N 2.66 4.01 -1.22 5.51 0.00 -0.33 -1.91 121.76 130.48 2wpj s ALA 66 Ca -0.01 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2wpj s ALA 66 Cb -0.07 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.25 2wpj s ALA 66 CO -0.13 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2wpj n GLY 69 N -1.62 0.74 3.86 0.00 0.00 -1.22 -0.33 105.19 106.61 2wpj n GLY 69 Ca -0.04 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 2wpj n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wpj s GLU 70 N -3.69 3.90 0.23 1.61 2.56 -1.26 -3.38 118.70 118.67 2wpj s GLU 70 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 54.97 55.36 2wpj s GLU 70 Cb 0.00 -2.83 0.00 0.00 2.00 0.00 0.00 34.13 33.30 2wpj s GLU 70 CO 0.00 0.42 0.00 1.58 -0.56 0.00 0.00 175.26 176.70 2wpj n HIS 71 N 0.46 -1.84 -3.99 5.30 -0.00 -1.26 -4.93 115.22 108.96 2wpj n HIS 71 Ca -0.03 0.33 -0.34 0.00 -0.00 0.00 0.00 57.72 57.67 2wpj n HIS 71 Cb 0.52 0.43 -0.15 0.00 -0.00 0.00 0.00 29.99 30.80 2wpj n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2wpj s ASN 72 N -5.25 4.24 0.57 0.26 3.84 -1.26 -1.56 114.94 115.79 2wpj s ASN 72 Ca 0.00 -0.94 0.27 0.00 0.21 0.00 0.00 52.86 52.39 2wpj s ASN 72 Cb 0.00 -1.63 1.64 0.00 -0.55 0.00 0.00 41.25 40.71 2wpj s ASN 72 CO 0.00 -0.13 2.17 0.40 -2.79 0.00 0.00 177.10 176.75 2wpj h ILE 73 N 6.22 0.61 0.00 -5.21 5.03 -1.00 -2.67 117.51 120.48 2wpj h ILE 73 Ca -0.32 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.42 2wpj h ILE 73 Cb 1.10 0.93 0.00 0.00 -3.03 0.00 0.00 36.82 35.82 2wpj h ILE 73 CO 0.56 0.00 -1.02 -1.84 -0.68 0.00 0.00 178.15 175.18 2wpj n GLU 74 N -3.99 0.13 -3.91 2.37 0.28 -1.26 -4.98 120.64 109.28 2wpj n GLU 74 Ca -0.01 -0.02 -0.23 0.00 -0.16 0.00 0.00 57.16 56.74 2wpj n GLU 74 Cb 0.19 -1.52 -0.06 0.00 1.43 0.00 0.00 31.44 31.48 2wpj n GLU 74 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2wpj s GLU 75 N -3.10 2.34 -0.19 3.44 2.02 -1.01 -5.13 118.70 117.08 2wpj s GLU 75 Ca 0.06 -1.73 -0.04 0.00 0.02 0.00 0.00 54.97 53.27 2wpj s GLU 75 Cb 0.16 -2.13 -0.02 0.00 0.10 0.00 0.00 34.13 32.23 2wpj s GLU 75 CO 0.83 -0.16 -0.02 0.99 0.02 0.00 0.00 175.26 176.92 2wpj s THR 76 N -2.56 3.82 -0.50 3.63 2.01 -1.26 -4.78 115.64 116.01 2wpj s THR 76 Ca 0.44 -0.36 0.14 0.00 0.31 0.00 0.00 61.69 62.22 2wpj s THR 76 Cb 0.01 -2.72 -0.18 0.00 0.01 0.00 0.00 72.50 69.63 2wpj s THR 76 CO 0.24 0.44 0.53 -0.62 -0.69 0.00 0.00 174.62 174.53 2wpj n GLU 77 N 4.16 1.78 -1.82 4.92 4.71 -1.26 -4.98 120.64 128.15 2wpj n GLU 77 Ca -0.17 -0.04 -0.14 0.00 -0.01 0.00 0.00 57.16 56.80 2wpj n GLU 77 Cb 0.52 -1.22 -0.03 0.00 -1.01 0.00 0.00 31.44 29.69 2wpj n GLU 77 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2wpj n HIS 78 N -1.52 -0.32 0.00 -0.32 8.25 -1.26 -4.82 115.22 115.24 2wpj n HIS 78 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2wpj n HIS 78 Cb 0.27 -2.71 0.00 0.00 1.12 0.00 0.00 29.99 28.66 2wpj n HIS 78 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2wpj n THR 79 N -3.28 0.00 -2.11 1.59 -2.24 -1.26 -5.05 114.28 101.93 2wpj n THR 79 Ca -0.15 -0.43 -0.41 0.00 -2.27 0.00 0.00 64.05 60.78 2wpj n THR 79 Cb 0.54 0.94 -0.02 0.00 -2.10 0.00 0.00 70.33 69.68 2wpj n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wpj s GLU 80 N -1.11 4.33 -0.20 -0.78 8.01 -1.22 -4.40 118.70 123.34 2wpj s GLU 80 Ca 0.00 2.20 0.00 0.00 0.01 0.00 0.00 54.97 57.18 2wpj s GLU 80 Cb 0.00 -3.12 0.05 0.00 -4.31 0.00 0.00 34.13 26.75 2wpj s GLU 80 CO 0.00 -0.29 -0.07 -0.65 0.01 0.00 0.00 175.26 174.26 2wpj s GLN 81 N -0.76 1.70 -0.09 1.61 -0.21 0.55 -4.98 119.66 117.49 2wpj s GLN 81 Ca 0.55 -0.81 -0.13 0.00 0.02 0.00 0.00 55.36 54.99 2wpj s GLN 81 Cb -0.40 -2.38 -0.05 0.00 1.00 0.00 0.00 33.01 31.19 2wpj s GLN 81 CO 0.45 -0.50 0.31 0.15 -2.12 0.00 0.00 175.29 173.57 2wpj s LYS 82 N 1.46 3.93 0.04 2.91 1.02 -1.26 -1.19 119.74 126.65 2wpj s LYS 82 Ca -0.03 0.17 0.01 0.00 0.02 0.00 0.00 55.97 56.15 2wpj s LYS 82 Cb -0.17 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 33.83 2wpj s LYS 82 CO -0.07 0.54 -0.05 1.03 -0.92 0.00 0.00 175.35 175.88 2wpj s ARG 83 N -0.49 0.45 0.14 1.68 1.81 -1.26 -5.02 118.95 116.26 2wpj s ARG 83 Ca 0.19 -0.75 -0.11 0.00 -1.72 0.00 0.00 55.73 53.34 2wpj s ARG 83 Cb -0.14 -0.07 -0.06 0.00 -0.45 0.00 0.00 34.95 34.22 2wpj s ARG 83 CO 0.08 -0.01 0.48 -0.80 -0.68 0.00 0.00 175.30 174.37 2wpj s ASN 84 N -1.69 6.69 -0.26 0.23 0.01 -1.26 -4.44 114.94 114.21 2wpj s ASN 84 Ca -0.10 0.89 -0.15 0.00 -0.71 0.00 0.00 52.86 52.79 2wpj s ASN 84 Cb -0.08 -2.22 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 2wpj s ASN 84 CO -0.01 0.09 0.39 -0.69 -1.51 0.00 0.00 177.10 175.37 2wpj s VAL 85 N -1.53 5.17 -0.11 1.60 1.01 -1.05 -0.43 120.40 125.06 2wpj s VAL 85 Ca 0.38 0.62 0.22 0.00 0.00 0.00 0.00 61.98 63.20 2wpj s VAL 85 Cb -0.14 -3.72 -0.30 0.00 0.00 0.00 0.00 36.38 32.23 2wpj s VAL 85 CO 0.20 0.16 0.56 2.30 0.00 0.00 0.00 175.10 178.32 2wpj n ILE 86 N 5.03 0.06 -3.78 2.22 -5.35 0.01 -4.71 119.36 112.84 2wpj n ILE 86 Ca -0.08 -0.47 -0.13 0.00 -0.27 0.00 0.00 62.75 61.80 2wpj n ILE 86 Cb 0.51 0.02 -0.11 0.00 -1.74 0.00 0.00 39.64 38.32 2wpj n ILE 86 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2wpj s ARG 87 N -3.47 0.37 -0.06 6.28 3.52 -1.22 -5.01 118.95 119.36 2wpj s ARG 87 Ca -0.06 0.32 0.02 0.00 -0.13 0.00 0.00 55.73 55.88 2wpj s ARG 87 Cb 0.14 0.18 0.01 0.00 -1.56 0.00 0.00 34.95 33.72 2wpj s ARG 87 CO 0.90 -0.05 -0.11 0.42 -0.81 0.00 0.00 175.30 175.64 2wpj s ILE 88 N -0.03 1.03 -0.43 4.11 1.01 -1.26 -0.67 121.20 124.96 2wpj s ILE 88 Ca -0.02 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.23 2wpj s ILE 88 Cb -0.02 -0.95 0.12 0.00 0.01 0.00 0.00 42.46 41.62 2wpj s ILE 88 CO 0.01 0.33 0.18 -0.63 0.00 0.00 0.00 174.94 174.83 2wpj s ILE 89 N 0.61 2.06 0.48 2.92 1.01 0.54 -4.98 121.20 123.85 2wpj s ILE 89 Ca -0.12 -2.68 -0.20 0.00 0.00 0.00 0.00 60.65 57.65 2wpj s ILE 89 Cb -0.15 -2.47 -0.09 0.00 0.01 0.00 0.00 42.46 39.77 2wpj s ILE 89 CO 0.03 -0.75 1.01 -2.16 0.00 0.00 0.00 174.94 173.06 2wpj s PRO 90 N 0.39 3.90 0.28 2.79 0.04 -1.26 -1.29 135.00 139.86 2wpj s PRO 90 Ca 0.15 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 2wpj s PRO 90 Cb -0.23 -2.12 -0.13 0.00 0.04 0.00 0.00 34.50 32.06 2wpj s PRO 90 CO -0.05 -0.32 1.36 1.58 0.04 0.00 0.00 177.00 179.61 2wpj n HIS 91 N -1.04 2.23 0.32 0.56 -0.00 -0.45 -4.82 115.22 112.01 2wpj n HIS 91 Ca 0.08 0.48 0.20 0.00 0.46 0.00 0.00 57.72 58.93 2wpj n HIS 91 Cb 0.53 -2.45 1.04 0.00 -0.12 0.00 0.00 29.99 28.99 2wpj n HIS 91 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 2wpj h HIS 92 N 3.53 0.00 -0.03 1.57 2.07 -1.91 -0.96 115.15 119.41 2wpj h HIS 92 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 2wpj h HIS 92 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 2wpj h HIS 92 CO 0.54 0.00 -0.10 0.09 -3.07 0.00 0.00 177.93 175.39 2wpj n ASN 93 N -3.18 2.77 -4.77 3.10 3.02 -1.26 -4.81 115.26 110.12 2wpj n ASN 93 Ca -0.02 -1.89 -0.41 0.00 -0.03 0.00 0.00 54.58 52.24 2wpj n ASN 93 Cb 0.19 0.10 -0.01 0.00 -0.61 0.00 0.00 39.78 39.45 2wpj n ASN 93 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2wpj s PHE 94 N -2.07 2.90 -1.11 3.10 5.36 -0.37 -1.91 117.98 123.88 2wpj s PHE 94 Ca 0.26 1.34 0.00 0.00 -0.96 0.00 0.00 56.93 57.56 2wpj s PHE 94 Cb 0.19 -3.79 0.00 0.00 -0.34 0.00 0.00 43.02 39.08 2wpj s PHE 94 CO 0.35 -2.23 0.00 0.09 -1.46 0.00 0.00 175.22 171.97 2wpj n ASN 95 N 0.68 -5.03 0.10 6.13 3.02 -1.26 -4.85 115.26 114.05 2wpj n ASN 95 Ca 0.00 0.26 -0.01 0.00 -0.03 0.00 0.00 54.58 54.80 2wpj n ASN 95 Cb 0.41 -3.44 0.28 0.00 -0.61 0.00 0.00 39.78 36.41 2wpj n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wpj h ALA 96 N 0.00 1.24 -4.17 5.41 0.00 -1.70 -3.41 119.26 116.63 2wpj h ALA 96 Ca -0.21 -0.34 -0.69 0.00 0.00 0.00 0.00 54.91 53.66 2wpj h ALA 96 Cb 0.94 -0.09 -0.30 0.00 0.00 0.00 0.00 17.79 18.34 2wpj h ALA 96 CO 0.31 0.51 -0.87 0.00 0.00 0.00 0.00 179.25 179.21 2wpj s ALA 97 N -4.35 2.24 0.27 0.00 0.00 -1.26 -5.12 121.76 113.54 2wpj s ALA 97 Ca -0.05 -1.06 -0.29 0.00 0.00 0.00 0.00 51.96 50.56 2wpj s ALA 97 Cb 0.14 -0.70 -0.09 0.00 0.00 0.00 0.00 23.12 22.47 2wpj s ALA 97 CO 0.76 0.46 1.16 -1.50 0.00 0.00 0.00 175.76 176.64 2wpj s ILE 98 N -0.34 3.36 -0.93 0.00 2.07 -1.26 -3.98 121.20 120.12 2wpj s ILE 98 Ca 0.02 1.32 -0.03 0.00 -1.41 0.00 0.00 60.65 60.55 2wpj s ILE 98 Cb -0.12 -3.84 0.03 0.00 0.13 0.00 0.00 42.46 38.65 2wpj s ILE 98 CO 0.02 0.29 0.15 0.59 -1.91 0.00 0.00 174.94 174.09 2wpj n ASN 98 N 1.39 -3.23 0.02 4.50 3.02 -1.26 -4.84 115.26 114.86 2wpj n ASN 98 Ca 0.00 0.06 0.11 0.00 -0.03 0.00 0.00 54.58 54.72 2wpj n ASN 98 Cb 0.44 -2.75 -0.12 0.00 -0.61 0.00 0.00 39.78 36.74 2wpj n ASN 98 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2wpj n THR 98 N -3.38 0.13 -1.21 3.41 -2.24 -1.26 -4.96 114.28 104.77 2wpj n THR 98 Ca -0.07 -0.45 -0.07 0.00 -2.27 0.00 0.00 64.05 61.18 2wpj n THR 98 Cb 0.57 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.80 2wpj n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2wpj n TYR 99 N -2.25 0.00 -2.37 4.78 4.01 -1.26 -4.98 117.16 115.09 2wpj n TYR 99 Ca -0.02 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.36 2wpj n TYR 99 Cb 0.54 -2.26 -0.02 0.00 -0.31 0.00 0.00 39.34 37.29 2wpj n TYR 99 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2wpj s ASN 100 N -2.33 6.30 -1.32 7.72 2.47 -1.26 -3.26 114.94 123.26 2wpj s ASN 100 Ca 0.00 2.18 -0.08 0.00 0.42 0.00 0.00 52.86 55.38 2wpj s ASN 100 Cb 0.00 -2.59 0.01 0.00 -1.45 0.00 0.00 41.25 37.22 2wpj s ASN 100 CO 0.00 -0.82 1.15 1.41 -3.72 0.00 0.00 177.10 175.11 2wpj n HIS 101 N -0.52 -2.76 -2.64 0.43 8.25 -1.26 -4.41 115.22 112.31 2wpj n HIS 101 Ca 0.07 0.99 -0.43 0.00 -0.26 0.00 0.00 57.72 58.10 2wpj n HIS 101 Cb 0.49 -5.00 -0.01 0.00 1.12 0.00 0.00 29.99 26.59 2wpj n HIS 101 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2wpj s ASP 102 N -3.47 6.75 -0.14 0.41 2.15 -1.20 -4.38 116.67 116.79 2wpj s ASP 102 Ca 0.50 -2.17 -0.29 0.00 0.43 0.00 0.00 52.55 51.02 2wpj s ASP 102 Cb -0.22 -2.55 0.08 0.00 -0.30 0.00 0.00 42.92 39.93 2wpj s ASP 102 CO 0.72 -1.22 0.73 -0.51 -0.17 0.00 0.00 175.17 174.72 2wpj s ILE 103 N 4.08 0.00 0.10 4.11 2.07 -1.26 -4.00 121.20 126.29 2wpj s ILE 103 Ca 0.49 0.00 -0.20 0.00 -1.41 0.00 0.00 60.65 59.53 2wpj s ILE 103 Cb 0.01 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.65 2wpj s ILE 103 CO 0.00 0.00 0.48 0.00 -1.91 0.00 0.00 174.94 173.52 2wpj s ALA 104 N -0.64 -1.20 -0.01 1.50 0.00 -0.09 -1.34 121.76 119.97 2wpj s ALA 104 Ca -0.06 0.31 0.08 0.00 0.00 0.00 0.00 51.96 52.28 2wpj s ALA 104 Cb -0.02 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.68 2wpj s ALA 104 CO 0.06 -0.61 -0.25 -0.51 0.00 0.00 0.00 175.76 174.45 2wpj s LEU 105 N -2.44 2.06 -0.11 0.00 1.43 -0.41 -0.69 118.68 118.52 2wpj s LEU 105 Ca -0.01 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 2wpj s LEU 105 Cb 0.00 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.92 2wpj s LEU 105 CO -0.08 0.31 -0.23 -0.76 0.23 0.00 0.00 176.35 175.82 2wpj s LEU 106 N -0.67 2.08 -0.15 1.79 1.43 0.88 -0.34 118.68 123.69 2wpj s LEU 106 Ca 0.10 -0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 52.50 2wpj s LEU 106 Cb -0.10 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 2wpj s LEU 106 CO -0.01 0.12 0.27 -0.70 0.23 0.00 0.00 176.35 176.27 2wpj s GLU 107 N 0.54 4.18 0.37 1.70 2.12 0.15 -1.11 118.70 126.65 2wpj s GLU 107 Ca -0.14 0.06 -0.11 0.00 0.36 0.00 0.00 54.97 55.15 2wpj s GLU 107 Cb -0.17 -3.40 -0.07 0.00 0.26 0.00 0.00 34.13 30.75 2wpj s GLU 107 CO 0.05 0.30 0.73 -0.51 -0.54 0.00 0.00 175.26 175.29 2wpj s LEU 108 N 0.28 3.91 -0.02 2.70 1.43 0.16 -0.81 118.68 126.33 2wpj s LEU 108 Ca 0.16 1.11 -0.25 0.00 -1.03 0.00 0.00 54.13 54.12 2wpj s LEU 108 Cb -0.13 -3.96 -0.19 0.00 0.03 0.00 0.00 46.19 41.94 2wpj s LEU 108 CO 0.04 -0.33 1.21 -2.24 0.23 0.00 0.00 176.35 175.26 2wpj h ASP 109 N 1.54 -0.11 -4.17 2.29 2.03 -1.09 -3.44 116.42 113.48 2wpj h ASP 109 Ca -0.47 -0.38 -0.69 0.00 -0.73 0.00 0.00 57.03 54.75 2wpj h ASP 109 Cb 1.18 0.03 -0.25 0.00 -0.83 0.00 0.00 39.33 39.46 2wpj h ASP 109 CO 0.65 0.35 -0.83 -1.61 -1.03 0.00 0.00 179.24 176.76 2wpj s GLU 110 N -4.28 2.10 0.42 4.15 0.41 -1.26 -5.07 118.70 115.16 2wpj s GLU 110 Ca -0.15 -0.95 -0.26 0.00 -0.41 0.00 0.00 54.97 53.20 2wpj s GLU 110 Cb 0.02 -2.15 -0.09 0.00 -1.78 0.00 0.00 34.13 30.13 2wpj s GLU 110 CO 0.61 0.55 1.39 -1.25 -0.49 0.00 0.00 175.26 176.08 2wpj s PRO 111 N -1.12 3.88 0.66 0.39 0.04 -1.26 -4.92 135.00 132.68 2wpj s PRO 111 Ca 0.13 2.36 -0.16 0.00 0.04 0.00 0.00 61.00 63.36 2wpj s PRO 111 Cb -0.10 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.67 2wpj s PRO 111 CO 0.03 -0.64 1.16 -0.51 0.04 0.00 0.00 177.00 177.08 2wpj s LEU 112 N -2.47 3.44 -0.38 -3.56 1.43 0.95 -4.99 118.68 113.10 2wpj s LEU 112 Ca 0.58 2.19 -0.13 0.00 -1.03 0.00 0.00 54.13 55.73 2wpj s LEU 112 Cb -0.42 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.23 2wpj s LEU 112 CO 0.55 -1.80 0.25 -0.69 0.23 0.00 0.00 176.35 174.89 2wpj s VAL 113 N -2.06 5.08 0.32 -1.59 1.01 -1.26 -4.81 120.40 117.09 2wpj s VAL 113 Ca 0.71 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 2wpj s VAL 113 Cb -0.25 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 2wpj s VAL 113 CO 0.40 -0.18 1.22 -0.76 0.00 0.00 0.00 175.10 175.78 2wpj s LEU 114 N 1.66 4.44 0.00 3.92 1.43 -1.26 -4.80 118.68 124.07 2wpj s LEU 114 Ca 0.05 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 2wpj s LEU 114 Cb -0.18 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.35 2wpj s LEU 114 CO 0.09 -0.42 0.00 -0.46 0.23 0.00 0.00 176.35 175.79 2wpj n ASN 115 N 0.85 0.00 0.13 2.29 0.23 -0.38 -4.98 115.26 113.40 2wpj n ASN 115 Ca 0.00 -0.95 0.11 0.00 -0.53 0.00 0.00 54.58 53.20 2wpj n ASN 115 Cb 0.43 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.63 2wpj n ASN 115 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2wpj n SER 116 N -1.09 0.56 -0.14 0.53 7.64 -1.26 -2.28 113.62 117.58 2wpj n SER 116 Ca 0.00 0.69 0.06 0.00 1.01 0.00 0.00 58.87 60.63 2wpj n SER 116 Cb 0.00 -0.79 -0.04 0.00 -1.01 0.00 0.00 64.21 62.37 2wpj n SER 116 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2wpj n TYR 117 N -2.18 0.00 -3.63 1.43 4.01 -1.26 -4.78 117.16 110.75 2wpj n TYR 117 Ca 0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 2wpj n TYR 117 Cb 0.13 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.02 2wpj n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2wpj s VAL 118 N -1.87 0.64 -0.00 -0.72 1.01 -0.97 -3.46 120.40 115.03 2wpj s VAL 118 Ca 0.07 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.45 2wpj s VAL 118 Cb 0.10 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 35.00 2wpj s VAL 118 CO 0.41 -0.81 -0.00 -0.89 0.00 0.00 0.00 175.10 173.81 2wpj s THR 119 N 1.30 0.07 0.90 3.92 2.01 -0.40 -1.25 115.64 122.18 2wpj s THR 119 Ca 0.13 -0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 2wpj s THR 119 Cb -0.20 -0.09 0.13 0.00 0.01 0.00 0.00 72.50 72.35 2wpj s THR 119 CO -0.16 0.04 1.09 -2.84 -0.69 0.00 0.00 174.62 172.06 2wpj s PRO 120 N 0.18 1.26 0.07 4.92 0.02 -1.26 -2.71 135.00 137.47 2wpj s PRO 120 Ca -0.01 0.83 -0.05 0.00 0.02 0.00 0.00 61.00 61.79 2wpj s PRO 120 Cb -0.03 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.63 2wpj s PRO 120 CO -0.01 -2.24 0.31 -1.50 -0.33 0.00 0.00 177.00 173.23 2wpj s ILE 121 N -2.93 5.25 0.47 2.83 1.10 -0.47 -4.77 121.20 122.68 2wpj s ILE 121 Ca 0.63 0.04 -0.20 0.00 -0.51 0.00 0.00 60.65 60.62 2wpj s ILE 121 Cb -0.18 -3.60 -0.09 0.00 0.15 0.00 0.00 42.46 38.73 2wpj s ILE 121 CO 0.57 0.21 0.99 0.00 -2.11 0.00 0.00 174.94 174.60 2wpj s ILE 123 N -2.16 0.51 0.90 0.00 1.01 -1.26 -0.87 121.20 119.33 2wpj s ILE 123 Ca 0.64 -0.44 -0.13 0.00 0.00 0.00 0.00 60.65 60.71 2wpj s ILE 123 Cb -0.12 -0.95 0.17 0.00 0.01 0.00 0.00 42.46 41.57 2wpj s ILE 123 CO 0.18 -0.12 1.24 0.00 0.00 0.00 0.00 174.94 176.25 2wpj s ALA 124 N 1.87 2.55 1.07 9.38 0.00 -1.26 -5.05 121.76 130.32 2wpj s ALA 124 Ca 0.00 -1.23 -0.17 0.00 0.00 0.00 0.00 51.96 50.55 2wpj s ALA 124 Cb -0.16 -2.66 0.24 0.00 0.00 0.00 0.00 23.12 20.54 2wpj s ALA 124 CO -0.08 -2.17 1.22 0.16 0.00 0.00 0.00 175.76 174.90 2wpj s ASP 125 N -4.83 2.14 0.16 0.00 1.47 -1.26 -4.66 116.67 109.69 2wpj s ASP 125 Ca 0.71 0.44 -0.17 0.00 1.18 0.00 0.00 52.55 54.71 2wpj s ASP 125 Cb -0.05 -0.58 0.07 0.00 -0.34 0.00 0.00 42.92 42.02 2wpj s ASP 125 CO 0.51 -3.35 1.70 0.50 0.68 0.00 0.00 175.17 175.21 2wpj h LYS 126 N -2.06 0.08 -0.28 2.11 3.64 -1.96 -0.17 116.57 117.93 2wpj h LYS 126 Ca -0.45 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.95 2wpj h LYS 126 Cb 1.26 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 2wpj h LYS 126 CO 0.37 0.06 0.13 1.49 -2.27 0.00 0.00 179.45 179.23 2wpj h GLU 126 N 0.09 0.28 0.00 1.90 4.81 -1.92 -2.41 114.58 117.32 2wpj h GLU 126 Ca 0.17 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.25 2wpj h GLU 126 Cb 0.23 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2wpj h GLU 126 CO -0.29 0.18 -0.62 1.88 -0.73 0.00 0.00 179.01 179.44 2wpj h TYR 126 N 0.29 0.00 -0.67 0.92 -1.99 -1.88 -1.68 116.97 111.96 2wpj h TYR 126 Ca 0.12 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.76 2wpj h TYR 126 Cb 0.04 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.75 2wpj h TYR 126 CO -0.10 0.62 0.10 1.15 -0.00 0.00 0.00 178.16 179.92 2wpj h THR 127 N 0.00 1.26 -0.26 -2.88 2.02 -0.86 0.38 112.91 112.58 2wpj h THR 127 Ca -0.01 -1.06 -0.13 0.00 0.77 0.00 0.00 66.41 65.98 2wpj h THR 127 Cb 1.23 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2wpj h THR 127 CO 0.08 0.40 -0.38 -1.13 0.37 0.00 0.00 175.52 174.86 2wpj h ASN 128 N 1.04 0.63 -0.47 4.18 -1.24 -1.29 -0.85 115.58 117.57 2wpj h ASN 128 Ca 0.20 -0.27 -0.01 0.00 0.71 0.00 0.00 56.30 56.93 2wpj h ASN 128 Cb 0.46 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.31 2wpj h ASN 128 CO 0.02 0.94 0.26 0.40 -1.29 0.00 0.00 177.43 177.76 2wpj h ILE 129 N 0.50 1.16 -0.55 2.57 2.04 -0.81 -0.43 117.51 121.99 2wpj h ILE 129 Ca 0.05 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 2wpj h ILE 129 Cb 0.88 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 2wpj h ILE 129 CO 0.08 0.17 0.09 -0.26 0.00 0.00 0.00 178.15 178.23 2wpj h PHE 130 N 0.62 0.97 -0.68 1.37 0.04 -0.81 -2.70 116.94 115.76 2wpj h PHE 130 Ca 0.17 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2wpj h PHE 130 Cb 0.04 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.89 2wpj h PHE 130 CO -0.02 0.86 0.44 1.25 -0.60 0.00 0.00 178.31 180.23 2wpj h LEU 131 N 0.80 0.79 0.00 1.54 6.46 -0.78 -1.36 115.31 122.76 2wpj h LEU 131 Ca 0.17 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2wpj h LEU 131 Cb 0.41 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 2wpj h LEU 131 CO 0.01 0.59 0.00 0.29 -0.62 0.00 0.00 178.44 178.71 2wpj n LYS 132 N -4.60 0.05 0.28 1.25 5.02 -0.20 -0.68 118.16 119.27 2wpj n LYS 132 Ca 0.06 0.28 0.18 0.00 -2.02 0.00 0.00 58.31 56.81 2wpj n LYS 132 Cb 0.03 -1.50 0.89 0.00 -0.02 0.00 0.00 35.03 34.43 2wpj n LYS 132 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2wpj h PHE 133 N 0.00 0.00 0.00 2.13 -1.00 -0.94 -3.45 116.94 113.68 2wpj h PHE 133 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2wpj h PHE 133 Cb 0.15 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.71 2wpj h PHE 133 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 2wpj n GLY 134 N -1.27 0.92 2.86 -1.45 0.00 0.15 -5.01 105.19 101.38 2wpj n GLY 134 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2wpj n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wpj s SER 135 N -2.92 0.15 0.20 1.61 0.15 -1.26 -0.84 113.70 110.78 2wpj s SER 135 Ca 0.00 0.24 -0.07 0.00 0.70 0.00 0.00 55.95 56.82 2wpj s SER 135 Cb 0.00 0.13 -0.02 0.00 -1.71 0.00 0.00 66.02 64.42 2wpj s SER 135 CO 0.00 -0.17 0.28 -0.83 1.20 0.00 0.00 173.24 173.72 2wpj s GLY 136 N 1.40 0.88 -0.10 9.45 0.00 -1.02 -4.72 107.32 113.22 2wpj s GLY 136 Ca -0.06 -1.22 -0.00 0.00 0.00 0.00 0.00 44.72 43.44 2wpj s GLY 136 CO -0.05 -1.00 -0.08 -0.19 0.00 0.00 0.00 173.10 171.77 2wpj s TYR 137 N -4.06 2.90 0.14 1.90 1.51 0.87 -0.63 117.35 119.98 2wpj s TYR 137 Ca 0.27 -0.20 0.10 0.00 -1.01 0.00 0.00 57.07 56.23 2wpj s TYR 137 Cb 0.04 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 40.06 2wpj s TYR 137 CO 0.08 0.12 -0.22 0.14 -1.11 0.00 0.00 175.55 174.56 2wpj s VAL 138 N -0.31 2.55 0.05 0.71 -7.23 -0.07 -0.72 120.40 115.39 2wpj s VAL 138 Ca 0.04 -1.69 -0.16 0.00 -1.81 0.00 0.00 61.98 58.36 2wpj s VAL 138 Cb -0.13 -2.17 0.03 0.00 0.56 0.00 0.00 36.38 34.67 2wpj s VAL 138 CO 0.02 0.06 0.35 -0.94 -0.31 0.00 0.00 175.10 174.29 2wpj s SER 139 N -2.21 -0.19 0.00 4.85 1.04 -1.24 -0.99 113.70 114.96 2wpj s SER 139 Ca 0.17 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.47 2wpj s SER 139 Cb -0.10 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2wpj s SER 139 CO 0.09 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.26 2wpj n GLY 140 N 0.49 -0.26 1.45 7.32 0.00 -0.51 -4.51 105.19 109.18 2wpj n GLY 140 Ca -0.18 -1.15 -0.02 0.00 0.00 0.00 0.00 46.02 44.67 2wpj n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wpj n TRP 141 N -0.64 1.66 -0.98 1.61 8.01 -1.26 -1.98 117.44 123.86 2wpj n TRP 141 Ca 0.00 -1.25 -0.09 0.00 -1.31 0.00 0.00 57.50 54.85 2wpj n TRP 141 Cb 0.00 -0.54 0.07 0.00 -2.01 0.00 0.00 31.31 28.83 2wpj n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wpj n GLY 142 N -0.58 -1.87 3.74 6.99 0.00 -1.26 -2.64 105.19 109.56 2wpj n GLY 142 Ca 0.34 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 2wpj n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wpj n ARG 143 N -2.18 2.49 0.00 1.61 1.74 0.56 -2.39 116.66 118.48 2wpj n ARG 143 Ca 0.05 0.88 0.11 0.00 -0.77 0.00 0.00 57.85 58.12 2wpj n ARG 143 Cb 0.18 -2.57 0.09 0.00 -1.02 0.00 0.00 32.46 29.14 2wpj n ARG 143 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2wpj n VAL 144 N 0.83 0.00 -3.86 1.55 0.24 -0.21 -0.85 118.33 116.03 2wpj n VAL 144 Ca 0.04 -0.16 -0.12 0.00 -2.04 0.00 0.00 64.34 62.07 2wpj n VAL 144 Cb 0.37 0.91 -0.12 0.00 -1.47 0.00 0.00 33.84 33.53 2wpj n VAL 144 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2wpj s PHE 145 N -2.62 -0.03 0.02 6.34 0.08 -1.26 -4.25 117.98 116.26 2wpj s PHE 145 Ca 0.17 0.08 -0.35 0.00 0.12 0.00 0.00 56.93 56.96 2wpj s PHE 145 Cb 0.18 -0.01 -0.13 0.00 -0.57 0.00 0.00 43.02 42.49 2wpj s PHE 145 CO 0.62 -0.11 1.70 1.58 -0.10 0.00 0.00 175.22 178.92 2wpj n HIS 147 N 2.58 2.22 -1.47 0.36 -0.00 -1.26 -0.81 115.22 116.84 2wpj n HIS 147 Ca -0.16 0.20 -0.16 0.00 -0.00 0.00 0.00 57.72 57.61 2wpj n HIS 147 Cb 0.58 -2.57 -0.07 0.00 -0.00 0.00 0.00 29.99 27.93 2wpj n HIS 147 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2wpj n LYS 148 N 4.86 -1.45 -0.60 1.57 5.02 -1.26 -4.98 118.16 121.33 2wpj n LYS 148 Ca 0.20 1.06 0.00 0.00 -2.02 0.00 0.00 58.31 57.55 2wpj n LYS 148 Cb 0.27 -5.41 0.00 0.00 -0.02 0.00 0.00 35.03 29.88 2wpj n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wpj n GLY 149 N -0.33 4.26 3.75 0.72 0.00 0.01 -5.11 105.19 108.49 2wpj n GLY 149 Ca -0.16 -2.09 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 2wpj n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wpj s ARG 150 N 0.41 2.25 0.70 1.61 1.70 -1.26 -4.70 118.95 119.66 2wpj s ARG 150 Ca 0.00 1.37 -0.10 0.00 -0.47 0.00 0.00 55.73 56.53 2wpj s ARG 150 Cb 0.00 -1.88 0.03 0.00 -0.57 0.00 0.00 34.95 32.53 2wpj s ARG 150 CO 0.00 -1.68 1.07 -1.12 -1.08 0.00 0.00 175.30 172.49 2wpj s SER 151 N -2.86 5.23 0.25 -2.89 0.01 -1.26 -1.05 113.70 111.13 2wpj s SER 151 Ca 0.65 0.92 -0.17 0.00 1.31 0.00 0.00 55.95 58.66 2wpj s SER 151 Cb -0.20 -1.68 -0.08 0.00 0.21 0.00 0.00 66.02 64.26 2wpj s SER 151 CO 0.50 -1.42 0.71 0.00 0.41 0.00 0.00 173.24 173.44 2wpj s ALA 152 N -3.32 3.40 -0.15 1.44 0.00 -1.00 -4.74 121.76 117.38 2wpj s ALA 152 Ca 0.58 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.71 2wpj s ALA 152 Cb -0.11 -2.77 -0.23 0.00 0.00 0.00 0.00 23.12 20.01 2wpj s ALA 152 CO 0.49 0.34 0.24 1.28 0.00 0.00 0.00 175.76 178.11 2wpj n LEU 153 N 0.33 1.53 -4.74 0.00 4.77 -1.26 -4.82 117.00 112.81 2wpj n LEU 153 Ca -0.00 0.13 -0.35 0.00 -0.03 0.00 0.00 56.01 55.75 2wpj n LEU 153 Cb 0.52 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.24 2wpj n LEU 153 CO 0.42 0.65 -0.22 -0.69 -1.33 0.00 0.00 177.39 176.23 2wpj s VAL 154 N -2.54 5.10 0.12 4.08 1.01 -1.26 -0.32 120.40 126.59 2wpj s VAL 154 Ca -0.17 0.07 -0.35 0.00 0.00 0.00 0.00 61.98 61.52 2wpj s VAL 154 Cb 0.07 -3.26 -0.16 0.00 0.00 0.00 0.00 36.38 33.03 2wpj s VAL 154 CO 0.76 0.53 1.36 -0.11 0.00 0.00 0.00 175.10 177.64 2wpj n LEU 155 N 2.83 1.92 -4.74 3.92 7.94 -0.60 -4.84 117.00 123.43 2wpj n LEU 155 Ca -0.18 1.12 -0.27 0.00 -1.11 0.00 0.00 56.01 55.57 2wpj n LEU 155 Cb 0.53 -1.24 -0.07 0.00 0.53 0.00 0.00 43.42 43.18 2wpj n LEU 155 CO 0.33 -0.94 -0.27 -1.10 -1.11 0.00 0.00 177.39 174.30 2wpj s GLN 156 N 0.40 2.69 0.05 1.96 -1.52 -0.84 -0.79 119.66 121.61 2wpj s GLN 156 Ca 0.81 -0.94 -0.04 0.00 -1.95 0.00 0.00 55.36 53.25 2wpj s GLN 156 Cb -0.88 -2.54 -0.02 0.00 -0.22 0.00 0.00 33.01 29.35 2wpj s GLN 156 CO 0.46 0.48 0.05 1.52 -0.25 0.00 0.00 175.29 177.55 2wpj s TYR 157 N -1.68 0.34 -0.23 0.91 -0.85 -0.29 -1.42 117.35 114.13 2wpj s TYR 157 Ca 0.29 -0.77 -0.18 0.00 -0.52 0.00 0.00 57.07 55.89 2wpj s TYR 157 Cb -0.10 -0.24 0.06 0.00 0.38 0.00 0.00 41.96 42.06 2wpj s TYR 157 CO 0.21 -0.39 0.59 -1.17 -1.52 0.00 0.00 175.55 173.26 2wpj s LEU 158 N -2.57 -0.36 -0.08 -3.49 2.96 -0.16 -1.31 118.68 113.68 2wpj s LEU 158 Ca 0.01 1.21 -0.20 0.00 -0.22 0.00 0.00 54.13 54.94 2wpj s LEU 158 Cb 0.03 2.00 -0.04 0.00 0.50 0.00 0.00 46.19 48.68 2wpj s LEU 158 CO -0.08 -0.21 0.55 -0.60 -1.32 0.00 0.00 176.35 174.69 2wpj s ARG 159 N 0.68 4.34 -0.05 1.98 3.52 -1.26 -0.89 118.95 127.26 2wpj s ARG 159 Ca -0.03 0.60 0.03 0.00 -0.13 0.00 0.00 55.73 56.21 2wpj s ARG 159 Cb -0.05 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 2wpj s ARG 159 CO -0.04 0.21 -0.15 0.14 -0.81 0.00 0.00 175.30 174.65 2wpj s VAL 160 N 0.40 1.26 0.34 7.11 -7.23 0.20 -4.98 120.40 117.51 2wpj s VAL 160 Ca 0.29 -0.60 -0.24 0.00 -1.81 0.00 0.00 61.98 59.62 2wpj s VAL 160 Cb -0.16 -1.11 -0.10 0.00 0.56 0.00 0.00 36.38 35.57 2wpj s VAL 160 CO 0.14 0.37 0.92 -2.16 -0.31 0.00 0.00 175.10 174.06 2wpj s PRO 161 N 0.26 4.45 0.38 4.82 0.04 -1.26 -2.42 135.00 141.27 2wpj s PRO 161 Ca -0.07 1.21 -0.26 0.00 0.04 0.00 0.00 61.00 61.92 2wpj s PRO 161 Cb -0.13 -2.66 -0.09 0.00 0.04 0.00 0.00 34.50 31.67 2wpj s PRO 161 CO 0.03 0.22 1.23 -1.17 0.04 0.00 0.00 177.00 177.35 2wpj s LEU 162 N -2.32 4.28 -0.06 -3.56 2.96 -0.02 -0.90 118.68 119.04 2wpj s LEU 162 Ca 0.52 2.50 0.03 0.00 -0.22 0.00 0.00 54.13 56.96 2wpj s LEU 162 Cb -0.16 -3.88 -0.02 0.00 0.50 0.00 0.00 46.19 42.63 2wpj s LEU 162 CO 0.21 -0.66 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.76 2wpj s VAL 163 N -1.29 3.14 0.34 1.68 1.01 -0.53 -4.86 120.40 119.89 2wpj s VAL 163 Ca 0.54 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 2wpj s VAL 163 Cb -0.35 -2.25 -0.11 0.00 0.00 0.00 0.00 36.38 33.68 2wpj s VAL 163 CO 0.45 0.58 1.40 -0.62 0.00 0.00 0.00 175.10 176.91 2wpj s ASP 164 N -0.56 6.58 0.31 3.32 -1.08 -1.26 -4.52 116.67 119.46 2wpj s ASP 164 Ca 0.08 2.84 0.06 0.00 -0.52 0.00 0.00 52.55 55.01 2wpj s ASP 164 Cb -0.11 -2.65 0.75 0.00 -1.46 0.00 0.00 42.92 39.44 2wpj s ASP 164 CO 0.01 -0.69 1.79 -0.09 0.52 0.00 0.00 175.17 176.71 2wpj h ARG 165 N 3.41 0.74 -0.57 4.34 2.43 -1.98 0.12 114.38 122.87 2wpj h ARG 165 Ca -0.49 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.54 2wpj h ARG 165 Cb 1.23 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 2wpj h ARG 165 CO 0.66 0.49 -0.00 0.00 -1.51 0.00 0.00 179.97 179.61 2wpj h ALA 166 N 1.63 0.91 -0.44 2.80 0.00 -1.99 0.10 119.26 122.26 2wpj h ALA 166 Ca 0.56 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 2wpj h ALA 166 Cb 0.87 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2wpj h ALA 166 CO -0.35 0.65 -0.26 1.15 0.00 0.00 0.00 179.25 180.43 2wpj h THR 167 N 0.91 1.27 0.31 0.00 2.02 -1.65 -2.03 112.91 113.74 2wpj h THR 167 Ca 0.17 -1.43 0.00 0.00 0.77 0.00 0.00 66.41 65.92 2wpj h THR 167 Cb 0.53 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 2wpj h THR 167 CO 0.03 0.49 -0.36 0.00 0.37 0.00 0.00 175.52 176.04 2wpj h LEU 169 N -0.71 0.63 -1.42 0.00 4.07 -0.73 -1.71 115.31 115.44 2wpj h LEU 169 Ca -0.01 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2wpj h LEU 169 Cb 0.66 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.37 2wpj h LEU 169 CO -0.10 0.30 0.00 -0.09 -1.08 0.00 0.00 178.44 177.47 2wpj h ARG 170 N 0.72 0.00 -0.00 1.13 2.43 -1.12 -3.13 114.38 114.41 2wpj h ARG 170 Ca 0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 2wpj h ARG 170 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2wpj h ARG 170 CO -0.32 0.00 -0.06 -1.13 -1.51 0.00 0.00 179.97 176.96 2wpj n SER 171 N -3.03 0.06 -3.77 -3.80 3.41 -0.64 -4.91 113.62 100.94 2wpj n SER 171 Ca 0.01 0.41 -0.11 0.00 -0.26 0.00 0.00 58.87 58.91 2wpj n SER 171 Cb 0.30 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 63.76 2wpj n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2wpj s THR 172 N -2.99 0.08 -0.15 6.66 -1.32 -1.18 -4.78 115.64 111.96 2wpj s THR 172 Ca 0.14 -0.70 0.15 0.00 -1.21 0.00 0.00 61.69 60.07 2wpj s THR 172 Cb 0.19 -0.92 0.04 0.00 -1.51 0.00 0.00 72.50 70.30 2wpj s THR 172 CO 0.55 -0.39 1.38 0.07 -2.21 0.00 0.00 174.62 174.03 2wpj h LYS 173 N 3.27 0.00 -7.13 7.08 2.10 -1.91 -3.46 116.57 116.53 2wpj h LYS 173 Ca -0.32 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 57.85 2wpj h LYS 173 Cb 1.20 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 32.57 2wpj h LYS 173 CO 0.46 0.49 0.38 -0.06 -2.00 0.00 0.00 179.45 178.72 2wpj s PHE 174 N -2.96 2.98 0.09 0.07 0.08 -1.26 -5.00 117.98 111.99 2wpj s PHE 174 Ca 0.03 1.55 -0.30 0.00 0.12 0.00 0.00 56.93 58.33 2wpj s PHE 174 Cb 0.08 -3.05 -0.06 0.00 -0.57 0.00 0.00 43.02 39.42 2wpj s PHE 174 CO 0.75 -0.98 1.09 0.99 -0.10 0.00 0.00 175.22 176.97 2wpj s THR 175 N -2.18 4.24 -0.38 0.64 2.01 -1.26 -5.02 115.64 113.68 2wpj s THR 175 Ca 0.66 1.72 -0.09 0.00 0.31 0.00 0.00 61.69 64.29 2wpj s THR 175 Cb -0.16 -4.10 0.05 0.00 0.01 0.00 0.00 72.50 68.29 2wpj s THR 175 CO 0.28 0.20 0.21 -0.63 -0.69 0.00 0.00 174.62 173.98 2wpj s ILE 176 N 0.52 4.30 0.84 1.82 -1.09 -1.26 -5.04 121.20 121.29 2wpj s ILE 176 Ca 0.53 -1.12 -0.09 0.00 -2.23 0.00 0.00 60.65 57.74 2wpj s ILE 176 Cb -0.27 -3.49 0.15 0.00 -1.58 0.00 0.00 42.46 37.27 2wpj s ILE 176 CO 0.31 -0.33 1.16 0.42 -1.23 0.00 0.00 174.94 175.27 2wpj s THR 177 N 1.48 2.08 -1.28 2.92 -4.23 -1.26 -4.95 115.64 110.40 2wpj s THR 177 Ca 0.02 -0.26 0.19 0.00 -1.18 0.00 0.00 61.69 60.45 2wpj s THR 177 Cb -0.21 -2.82 0.27 0.00 1.34 0.00 0.00 72.50 71.08 2wpj s THR 177 CO 0.04 0.00 1.58 -0.46 -0.54 0.00 0.00 174.62 175.24 2wpj n ASN 178 N -3.31 0.00 -1.50 3.99 0.23 -1.26 -2.00 115.26 111.41 2wpj n ASN 178 Ca 0.14 0.18 0.08 0.00 -0.53 0.00 0.00 54.58 54.45 2wpj n ASN 178 Cb 0.60 -0.36 0.32 0.00 -2.08 0.00 0.00 39.78 38.27 2wpj n ASN 178 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2wpj n ASN 179 N -1.36 4.45 -4.17 0.53 3.02 -1.26 -4.89 115.26 111.59 2wpj n ASN 179 Ca 0.07 -2.49 -0.10 0.00 -0.03 0.00 0.00 54.58 52.03 2wpj n ASN 179 Cb 0.17 -0.57 -0.10 0.00 -0.61 0.00 0.00 39.78 38.67 2wpj n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wpj s MET 180 N -1.99 0.84 0.09 3.52 -1.94 -0.85 -0.60 119.30 118.37 2wpj s MET 180 Ca 0.45 -1.35 -0.08 0.00 -1.71 0.00 0.00 55.69 53.01 2wpj s MET 180 Cb 0.31 -0.13 -0.01 0.00 2.01 0.00 0.00 34.83 37.01 2wpj s MET 180 CO 0.20 -0.06 0.16 -0.59 -0.01 0.00 0.00 175.02 174.73 2wpj s PHE 181 N -3.69 0.20 -0.02 -0.03 -0.12 -0.56 -4.75 117.98 109.01 2wpj s PHE 181 Ca 0.13 -0.65 0.01 0.00 -0.05 0.00 0.00 56.93 56.37 2wpj s PHE 181 Cb 0.06 -0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.31 2wpj s PHE 181 CO -0.04 -0.53 -0.00 0.00 -0.05 0.00 0.00 175.22 174.60 2wpj s ALA 183 N -1.03 -0.71 0.00 0.00 0.00 -0.59 -1.46 121.76 117.97 2wpj s ALA 183 Ca 0.18 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2wpj s ALA 183 Cb -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.92 2wpj s ALA 183 CO 0.08 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.03 2wpj n GLY 184 N 1.77 -0.62 3.55 0.00 0.00 -0.08 -1.65 105.19 108.16 2wpj n GLY 184 Ca -0.19 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 2wpj n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wpj s PHE 184 N -2.33 3.03 0.39 1.61 0.40 -1.26 -4.07 117.98 115.74 2wpj s PHE 184 Ca 0.00 -0.13 0.12 0.00 -0.60 0.00 0.00 56.93 56.32 2wpj s PHE 184 Cb 0.00 -1.86 0.92 0.00 0.51 0.00 0.00 43.02 42.59 2wpj s PHE 184 CO 0.00 0.15 1.89 0.45 0.70 0.00 0.00 175.22 178.41 2wpj h HIS 185 N 6.06 0.67 -0.01 0.36 3.86 -1.98 0.08 115.15 124.18 2wpj h HIS 185 Ca -0.39 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.84 2wpj h HIS 185 Cb 1.19 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.45 2wpj h HIS 185 CO 0.56 0.25 -0.14 0.39 0.86 0.00 0.00 177.93 179.85 2wpj n GLU 186 N -4.52 0.78 0.00 2.45 -0.58 -1.26 -3.57 120.64 113.93 2wpj n GLU 186 Ca 0.16 -0.33 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 2wpj n GLU 186 Cb 0.49 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 2wpj n GLU 186 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wpj n GLY 187 N 1.28 -0.90 3.09 0.62 0.00 0.01 -4.50 105.19 104.80 2wpj n GLY 187 Ca 0.14 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2wpj n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wpj n GLY 188 N 0.00 2.97 2.87 -0.02 0.00 0.04 -4.82 105.19 106.23 2wpj n GLY 188 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2wpj n GLY 188 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wpj s ARG 188 N -0.19 0.64 -0.07 1.61 0.52 -1.26 -3.71 118.95 116.49 2wpj s ARG 188 Ca 0.00 -0.04 -0.32 0.00 -0.52 0.00 0.00 55.73 54.85 2wpj s ARG 188 Cb 0.00 -0.72 0.12 0.00 0.52 0.00 0.00 34.95 34.88 2wpj s ARG 188 CO 0.00 -0.10 1.24 0.34 0.02 0.00 0.00 175.30 176.79 2wpj s ASP 189 N 0.96 -0.10 0.82 0.23 2.15 -0.49 -4.48 116.67 115.76 2wpj s ASP 189 Ca -0.11 -0.09 -0.11 0.00 0.43 0.00 0.00 52.55 52.67 2wpj s ASP 189 Cb -0.14 0.17 0.12 0.00 -0.30 0.00 0.00 42.92 42.77 2wpj s ASP 189 CO -0.01 -0.31 1.16 -0.94 -0.17 0.00 0.00 175.17 174.91 2wpj s SER 190 N -2.67 4.13 0.21 -0.34 1.04 -1.26 -0.20 113.70 114.61 2wpj s SER 190 Ca 0.12 0.41 -0.07 0.00 0.48 0.00 0.00 55.95 56.89 2wpj s SER 190 Cb 0.02 -0.79 0.03 0.00 0.10 0.00 0.00 66.02 65.38 2wpj s SER 190 CO -0.04 -2.08 0.39 0.00 0.98 0.00 0.00 173.24 172.49 2wpj n GLN 192 N -0.29 1.65 0.00 0.00 1.13 -1.26 -1.41 117.38 117.21 2wpj n GLN 192 Ca -0.04 0.58 0.00 0.00 -1.94 0.00 0.00 57.00 55.60 2wpj n GLN 192 Cb 0.31 -2.06 0.00 0.00 0.11 0.00 0.00 30.24 28.61 2wpj n GLN 192 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wpj n GLY 193 N 1.26 2.91 0.07 1.08 0.00 -1.26 -0.33 105.19 108.93 2wpj n GLY 193 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 2wpj n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wpj h ASP 194 N 0.00 0.00 -2.03 1.61 3.32 -1.50 -3.28 116.42 114.54 2wpj h ASP 194 Ca 0.00 -0.17 -0.63 0.00 0.02 0.00 0.00 57.03 56.24 2wpj h ASP 194 Cb 0.00 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.65 2wpj h ASP 194 CO 0.00 0.09 0.06 -1.20 -1.72 0.00 0.00 179.24 176.46 2wpj n SER 195 N -2.17 0.85 0.00 6.45 7.64 -1.26 -1.86 113.62 123.27 2wpj n SER 195 Ca 0.03 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.07 2wpj n SER 195 Cb 0.44 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 2wpj n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wpj n GLY 196 N 1.60 3.08 3.63 0.23 0.00 -0.09 -0.24 105.19 113.39 2wpj n GLY 196 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2wpj n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wpj s GLY 197 N -2.27 1.58 0.30 -0.02 0.00 -0.78 -3.30 107.32 102.84 2wpj s GLY 197 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 44.72 44.48 2wpj s GLY 197 CO 0.00 0.46 0.63 2.56 0.00 0.00 0.00 173.10 176.75 2wpj s PRO 198 N -4.78 3.79 -0.24 2.90 0.04 -1.26 -1.18 135.00 134.27 2wpj s PRO 198 Ca 0.66 0.33 -0.05 0.00 0.04 0.00 0.00 61.00 61.98 2wpj s PRO 198 Cb -0.21 -2.55 -0.00 0.00 0.04 0.00 0.00 34.50 31.78 2wpj s PRO 198 CO 0.60 0.18 -0.00 -1.58 0.04 0.00 0.00 177.00 176.24 2wpj s HIS 199 N -2.04 3.03 0.09 0.56 2.46 -0.28 -3.60 115.29 115.50 2wpj s HIS 199 Ca 0.49 -0.94 0.07 0.00 0.47 0.00 0.00 55.06 55.15 2wpj s HIS 199 Cb -0.11 -2.15 -0.03 0.00 -0.13 0.00 0.00 32.58 30.16 2wpj s HIS 199 CO 0.25 -0.55 -0.19 0.14 -2.47 0.00 0.00 174.74 171.92 2wpj s VAL 200 N 1.49 1.52 -0.14 0.89 -7.23 0.10 -0.80 120.40 116.23 2wpj s VAL 200 Ca 0.05 -1.43 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 2wpj s VAL 200 Cb -0.15 -1.39 0.01 0.00 0.56 0.00 0.00 36.38 35.40 2wpj s VAL 200 CO -0.01 -0.08 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.60 2wpj s THR 201 N -1.15 2.19 -0.15 5.32 2.01 -0.39 -0.09 115.64 123.38 2wpj s THR 201 Ca 0.04 -0.94 -0.19 0.00 0.31 0.00 0.00 61.69 60.91 2wpj s THR 201 Cb -0.10 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 2wpj s THR 201 CO 0.03 0.54 0.53 -0.70 -0.69 0.00 0.00 174.62 174.34 2wpj s GLU 202 N 0.77 4.28 -0.35 4.92 2.12 -1.26 -0.99 118.70 128.19 2wpj s GLU 202 Ca -0.08 0.50 0.03 0.00 0.36 0.00 0.00 54.97 55.79 2wpj s GLU 202 Cb -0.16 -3.50 0.10 0.00 0.26 0.00 0.00 34.13 30.84 2wpj s GLU 202 CO -0.01 -0.00 0.07 0.08 -0.54 0.00 0.00 175.26 174.86 2wpj s VAL 203 N 1.14 2.36 -1.25 3.70 1.01 0.35 -4.75 120.40 122.96 2wpj s VAL 203 Ca 0.27 -2.35 -0.10 0.00 0.00 0.00 0.00 61.98 59.79 2wpj s VAL 203 Cb -0.16 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 2wpj s VAL 203 CO 0.11 -0.61 0.66 -0.62 0.00 0.00 0.00 175.10 174.64 2wpj n GLU 204 N 4.25 -2.62 -0.66 2.72 1.02 -1.26 -1.73 120.64 122.35 2wpj n GLU 204 Ca 0.04 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 2wpj n GLU 204 Cb 0.42 -4.51 0.00 0.00 -0.02 0.00 0.00 31.44 27.33 2wpj n GLU 204 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wpj n GLY 205 N -1.74 1.38 3.13 0.62 0.00 -1.26 -5.01 105.19 102.30 2wpj n GLY 205 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2wpj n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wpj s THR 206 N -3.55 2.13 0.09 2.61 2.01 -0.70 -5.11 115.64 113.12 2wpj s THR 206 Ca 0.00 -0.94 -0.22 0.00 0.31 0.00 0.00 61.69 60.84 2wpj s THR 206 Cb 0.00 -1.91 -0.07 0.00 0.01 0.00 0.00 72.50 70.53 2wpj s THR 206 CO 0.00 0.51 0.65 -0.44 -0.69 0.00 0.00 174.62 174.66 2wpj s SER 207 N 1.29 7.16 0.11 3.53 0.01 -1.26 -0.49 113.70 124.05 2wpj s SER 207 Ca 0.04 1.38 0.10 0.00 1.31 0.00 0.00 55.95 58.79 2wpj s SER 207 Cb -0.13 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 2wpj s SER 207 CO -0.12 0.20 -0.26 -0.36 0.41 0.00 0.00 173.24 173.12 2wpj s PHE 208 N -0.88 2.19 -0.13 2.43 0.40 -0.16 -2.14 117.98 119.69 2wpj s PHE 208 Ca 0.32 -0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 55.97 2wpj s PHE 208 Cb -0.20 -1.21 -0.01 0.00 0.51 0.00 0.00 43.02 42.10 2wpj s PHE 208 CO 0.21 0.27 1.11 -1.17 0.70 0.00 0.00 175.22 176.35 2wpj s LEU 209 N -1.87 4.21 -0.00 -0.37 2.96 -0.05 -1.26 118.68 122.30 2wpj s LEU 209 Ca 0.12 1.60 0.03 0.00 -0.22 0.00 0.00 54.13 55.66 2wpj s LEU 209 Cb -0.10 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 2wpj s LEU 209 CO 0.05 -0.59 0.08 0.35 -1.32 0.00 0.00 176.35 174.92 2wpj n THR 210 N 4.89 0.00 -3.81 3.68 -2.24 0.02 -4.80 114.28 112.02 2wpj n THR 210 Ca 0.11 -0.24 -0.06 0.00 -2.27 0.00 0.00 64.05 61.59 2wpj n THR 210 Cb 0.47 0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 69.38 2wpj n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wpj s GLY 211 N -1.80 -0.16 -0.09 3.38 0.00 -0.59 -2.95 107.32 105.11 2wpj s GLY 211 Ca -0.00 -0.12 0.04 0.00 0.00 0.00 0.00 44.72 44.64 2wpj s GLY 211 CO 0.11 -0.05 -0.23 -0.42 0.00 0.00 0.00 173.10 172.51 2wpj s ILE 212 N -3.69 1.99 0.08 0.90 1.01 -0.79 -1.13 121.20 119.57 2wpj s ILE 212 Ca 0.11 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 2wpj s ILE 212 Cb -0.04 -1.71 -0.10 0.00 0.01 0.00 0.00 42.46 40.62 2wpj s ILE 212 CO 0.05 0.55 1.89 -0.63 0.00 0.00 0.00 174.94 176.79 2wpj s ILE 213 N 0.22 2.79 0.11 2.92 1.01 -0.33 -0.62 121.20 127.31 2wpj s ILE 213 Ca -0.14 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.56 2wpj s ILE 213 Cb -0.17 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.27 2wpj s ILE 213 CO 0.07 -0.00 0.00 -0.24 0.00 0.00 0.00 174.94 174.77 2wpj n SER 214 N 6.61 0.96 -3.57 3.58 2.88 -0.96 -0.92 113.62 122.21 2wpj n SER 214 Ca 0.19 0.17 -0.08 0.00 -1.33 0.00 0.00 58.87 57.82 2wpj n SER 214 Cb 0.40 -0.26 -0.01 0.00 -0.75 0.00 0.00 64.21 63.59 2wpj n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2wpj s TRP 215 N -1.96 -0.04 0.03 0.66 1.48 -0.71 -4.90 118.94 113.51 2wpj s TRP 215 Ca 0.00 -0.48 -0.17 0.00 -1.06 0.00 0.00 56.10 54.39 2wpj s TRP 215 Cb 0.00 0.70 0.06 0.00 -1.16 0.00 0.00 33.47 33.07 2wpj s TRP 215 CO 0.00 -1.32 0.78 0.41 -4.06 0.00 0.00 176.95 172.76 2wpj n GLY 216 N -0.48 0.52 3.03 3.67 0.00 -1.26 -1.12 105.19 109.55 2wpj n GLY 216 Ca -0.05 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 2wpj n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wpj s GLU 217 N -2.02 1.72 2.98 1.61 2.02 -1.26 -5.00 118.70 118.75 2wpj s GLU 217 Ca 0.18 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.46 2wpj s GLU 217 Cb -0.01 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.12 2wpj s GLU 217 CO 0.01 -0.82 0.00 0.39 0.02 0.00 0.00 175.26 174.86 2wpj n GLU 219 N 4.31 0.00 -3.85 1.61 1.02 -1.26 -4.78 120.64 117.68 2wpj n GLU 219 Ca -0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.01 2wpj n GLU 219 Cb 0.42 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.72 2wpj n GLU 219 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wpj n ALA 221 N 2.64 -0.34 -1.93 0.00 0.00 -1.26 -4.71 120.51 114.90 2wpj n ALA 221 Ca -0.15 0.30 -0.37 0.00 0.00 0.00 0.00 53.44 53.22 2wpj n ALA 221 Cb 0.58 -2.01 -0.06 0.00 0.00 0.00 0.00 19.45 17.96 2wpj n ALA 221 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2wpj s MET 221 N -3.87 4.48 0.20 0.00 1.00 -1.26 -0.78 119.30 119.07 2wpj s MET 221 Ca 0.00 1.14 -0.31 0.00 0.00 0.00 0.00 55.69 56.52 2wpj s MET 221 Cb 0.00 -2.95 -0.11 0.00 0.00 0.00 0.00 34.83 31.78 2wpj s MET 221 CO 0.00 0.39 1.60 0.21 0.00 0.00 0.00 175.02 177.22 2wpj s LYS 222 N -1.80 4.19 0.00 2.03 2.20 -1.26 -2.00 119.74 123.10 2wpj s LYS 222 Ca 0.44 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 58.50 2wpj s LYS 222 Cb -0.19 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 2wpj s LYS 222 CO 0.24 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 2wpj n GLY 223 N 3.41 0.84 3.50 5.54 0.00 -1.23 -4.98 105.19 112.26 2wpj n GLY 223 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 2wpj n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wpj s LYS 224 N -0.51 1.78 0.13 1.61 -0.14 -0.85 -4.68 119.74 117.08 2wpj s LYS 224 Ca 0.00 -1.58 0.01 0.00 -1.36 0.00 0.00 55.97 53.04 2wpj s LYS 224 Cb 0.00 -1.90 -0.04 0.00 -1.68 0.00 0.00 37.83 34.21 2wpj s LYS 224 CO 0.00 0.37 -0.01 0.71 -0.76 0.00 0.00 175.35 175.66 2wpj s TYR 225 N -2.14 0.95 0.27 3.18 2.02 -1.26 -4.70 117.35 115.66 2wpj s TYR 225 Ca 0.27 -1.05 -0.29 0.00 -0.37 0.00 0.00 57.07 55.64 2wpj s TYR 225 Cb -0.07 -0.55 -0.09 0.00 -0.40 0.00 0.00 41.96 40.85 2wpj s TYR 225 CO 0.14 -0.29 0.95 0.20 -1.57 0.00 0.00 175.55 174.98 2wpj s GLY 226 N -3.07 3.01 -0.11 0.71 0.00 -0.66 -4.65 107.32 102.54 2wpj s GLY 226 Ca 0.18 0.60 -0.02 0.00 0.00 0.00 0.00 44.72 45.48 2wpj s GLY 226 CO -0.01 1.12 -0.02 -0.42 0.00 0.00 0.00 173.10 173.77 2wpj s ILE 227 N -1.33 4.07 0.04 0.90 -1.09 -0.27 -1.54 121.20 121.97 2wpj s ILE 227 Ca 0.44 -0.33 0.05 0.00 -2.23 0.00 0.00 60.65 58.59 2wpj s ILE 227 Cb -0.24 -2.72 -0.02 0.00 -1.58 0.00 0.00 42.46 37.90 2wpj s ILE 227 CO 0.29 0.57 -0.14 -0.31 -1.23 0.00 0.00 174.94 174.12 2wpj s TYR 228 N -0.45 1.20 -0.02 3.97 1.51 -0.14 -1.73 117.35 121.68 2wpj s TYR 228 Ca 0.08 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.48 2wpj s TYR 228 Cb -0.12 -0.71 -0.03 0.00 -0.11 0.00 0.00 41.96 40.98 2wpj s TYR 228 CO 0.02 0.03 1.13 0.99 -1.11 0.00 0.00 175.55 176.62 2wpj s THR 229 N -0.88 4.39 -0.74 -0.71 2.01 0.21 -1.50 115.64 118.42 2wpj s THR 229 Ca 0.01 1.70 -0.26 0.00 0.31 0.00 0.00 61.69 63.45 2wpj s THR 229 Cb -0.08 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.34 2wpj s THR 229 CO 0.01 0.06 1.57 -0.75 -0.69 0.00 0.00 174.62 174.82 2wpj s LYS 230 N 1.69 2.97 0.52 4.92 2.20 0.23 -1.88 119.74 130.40 2wpj s LYS 230 Ca 0.55 -0.02 0.24 0.00 -0.36 0.00 0.00 55.97 56.37 2wpj s LYS 230 Cb -0.24 -4.46 1.43 0.00 -1.51 0.00 0.00 37.83 33.05 2wpj s LYS 230 CO 0.24 -2.48 2.11 0.28 -0.36 0.00 0.00 175.35 175.14 2wpj h VAL 231 N 6.54 0.73 -0.63 4.02 2.07 -1.85 -2.25 116.25 124.88 2wpj h VAL 231 Ca -0.19 -0.36 0.09 0.00 0.82 0.00 0.00 66.70 67.06 2wpj h VAL 231 Cb 1.08 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 2wpj h VAL 231 CO 1.27 0.09 0.42 0.77 0.02 0.00 0.00 177.57 180.13 2wpj h SER 232 N 0.00 0.46 0.53 0.57 4.64 -1.89 0.14 113.55 118.00 2wpj h SER 232 Ca -0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2wpj h SER 232 Cb 0.21 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2wpj h SER 232 CO 0.01 0.28 0.00 0.54 -0.87 0.00 0.00 176.83 176.79 2wpj n ARG 233 N -4.48 0.04 0.00 4.77 5.12 -0.84 -3.54 116.66 117.73 2wpj n ARG 233 Ca 0.10 0.30 0.00 0.00 -1.93 0.00 0.00 57.85 56.32 2wpj n ARG 233 Cb 0.32 -1.59 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 2wpj n ARG 233 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2wpj n TYR 234 N -1.67 0.00 -0.20 -1.55 4.01 0.42 -4.78 117.16 113.39 2wpj n TYR 234 Ca 0.03 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.81 2wpj n TYR 234 Cb 0.18 0.00 0.30 0.00 -0.31 0.00 0.00 39.34 39.51 2wpj n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2wpj h VAL 235 N 0.01 1.10 -0.78 -0.72 2.07 -1.44 -0.02 116.25 116.47 2wpj h VAL 235 Ca 0.00 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2wpj h VAL 235 Cb 0.01 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 29.88 2wpj h VAL 235 CO 0.00 0.16 0.42 0.78 0.02 0.00 0.00 177.57 178.95 2wpj h ASN 236 N 0.88 0.98 -0.49 0.57 4.21 -1.86 -1.08 115.58 118.78 2wpj h ASN 236 Ca 0.30 -0.10 -0.09 0.00 1.21 0.00 0.00 56.30 57.62 2wpj h ASN 236 Cb 0.09 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.02 2wpj h ASN 236 CO -0.09 0.80 -0.05 -0.25 -1.29 0.00 0.00 177.43 176.55 2wpj h TRP 237 N 1.08 0.99 -0.29 1.19 7.01 -1.57 -1.23 115.95 123.13 2wpj h TRP 237 Ca 0.27 -0.19 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 2wpj h TRP 237 Cb 0.04 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 26.84 2wpj h TRP 237 CO 0.00 0.94 0.16 0.82 -2.79 0.00 0.00 178.44 177.57 2wpj h ILE 238 N 0.75 1.12 -0.48 2.65 2.04 -0.70 -2.08 117.51 120.81 2wpj h ILE 238 Ca 0.13 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 2wpj h ILE 238 Cb 0.58 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 2wpj h ILE 238 CO 0.03 0.12 0.14 0.11 0.00 0.00 0.00 178.15 178.56 2wpj h LYS 239 N 0.35 0.72 -0.40 2.37 1.57 -1.02 -1.91 116.57 118.25 2wpj h LYS 239 Ca 0.10 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 2wpj h LYS 239 Cb 0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2wpj h LYS 239 CO -0.02 0.63 -0.32 1.49 -0.57 0.00 0.00 179.45 180.66 2wpj h GLU 240 N 0.70 0.89 0.00 3.15 4.81 -0.99 -3.31 114.58 119.84 2wpj h GLU 240 Ca 0.16 -0.43 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 2wpj h GLU 240 Cb 0.22 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2wpj h GLU 240 CO -0.01 1.08 -0.86 0.87 -0.73 0.00 0.00 179.01 179.37 2wpj h LYS 241 N 0.75 0.00 -0.66 1.92 1.79 -1.19 -3.34 116.57 115.84 2wpj h LYS 241 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2wpj h LYS 241 Cb 0.89 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 2wpj h LYS 241 CO 0.08 0.14 0.00 0.25 -1.08 0.00 0.00 179.45 178.84 2wpj n THR 242 N -2.88 1.79 -1.79 -0.16 -2.24 -0.74 -4.99 114.28 103.27 2wpj n THR 242 Ca -0.01 -1.14 -0.41 0.00 -2.27 0.00 0.00 64.05 60.22 2wpj n THR 242 Cb 0.64 0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.96 2wpj n THR 242 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wpj s LYS 243 N -1.87 4.11 -0.04 -0.78 1.02 -1.25 -4.95 119.74 115.98 2wpj s LYS 243 Ca 0.49 2.58 -0.11 0.00 0.02 0.00 0.00 55.97 58.96 2wpj s LYS 243 Cb 0.32 -2.98 -0.05 0.00 -0.52 0.00 0.00 37.83 34.60 2wpj s LYS 243 CO 0.24 -0.57 0.30 -0.51 -0.92 0.00 0.00 175.35 173.88 2wpj s LEU 244 N -1.60 4.43 0.00 3.17 1.43 -1.26 -5.15 118.68 119.70 2wpj s LEU 244 Ca 0.56 0.73 0.08 0.00 -1.03 0.00 0.00 54.13 54.48 2wpj s LEU 244 Cb -0.47 -2.43 0.07 0.00 0.03 0.00 0.00 46.19 43.39 2wpj s LEU 244 CO 0.59 0.34 0.76 1.07 0.23 0.00 0.00 176.35 179.34