#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwx s GLY 2 N 0.00 0.09 -0.04 3.03 0.00 -1.26 -5.15 107.32 103.98 2jwx s GLY 2 Ca 0.00 -0.20 0.06 0.00 0.00 0.00 0.00 44.72 44.58 2jwx s GLY 2 CO 0.00 -0.27 -0.23 1.62 0.00 0.00 0.00 173.10 174.22 2jwx s GLN 3 N -0.92 2.24 0.10 2.90 0.74 -1.26 -5.10 119.66 118.35 2jwx s GLN 3 Ca -0.10 -0.83 -0.34 0.00 0.05 0.00 0.00 55.36 54.14 2jwx s GLN 3 Cb -0.06 -1.97 -0.13 0.00 1.10 0.00 0.00 33.01 31.95 2jwx s GLN 3 CO 0.00 0.39 1.68 -2.30 -0.55 0.00 0.00 175.29 174.51 2jwx n PRO 4 N 2.87 2.22 -1.66 1.67 -0.02 -1.26 -4.86 135.00 133.96 2jwx n PRO 4 Ca -0.17 0.80 -0.51 0.00 -2.02 0.00 0.00 63.50 61.60 2jwx n PRO 4 Cb 0.52 -2.60 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 2jwx n PRO 4 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2jwx n PRO 5 N 4.41 1.57 -4.10 0.52 -0.02 -1.26 -4.95 135.00 131.18 2jwx n PRO 5 Ca 0.18 0.57 -0.35 0.00 -2.02 0.00 0.00 63.50 61.89 2jwx n PRO 5 Cb 0.30 -2.29 -0.09 0.00 -0.02 0.00 0.00 33.50 31.39 2jwx n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jwx s ALA 6 N 2.11 3.41 -0.52 3.55 0.00 -1.26 -5.05 121.76 123.99 2jwx s ALA 6 Ca 0.89 -0.75 -0.28 0.00 0.00 0.00 0.00 51.96 51.82 2jwx s ALA 6 Cb -0.87 -1.80 0.01 0.00 0.00 0.00 0.00 23.12 20.46 2jwx s ALA 6 CO 0.51 0.33 1.39 -2.00 0.00 0.00 0.00 175.76 175.99 2jwx s GLU 7 N -0.09 3.40 0.00 0.00 2.12 -1.26 -4.88 118.70 117.99 2jwx s GLU 7 Ca 0.06 0.58 0.00 0.00 0.36 0.00 0.00 54.97 55.97 2jwx s GLU 7 Cb -0.12 -4.08 0.00 0.00 0.26 0.00 0.00 34.13 30.19 2jwx s GLU 7 CO 0.01 -1.80 0.00 -1.91 -0.54 0.00 0.00 175.26 171.02 2jwx n GLU 8 N 8.46 0.00 -3.45 4.30 2.13 -1.26 -4.99 120.64 125.82 2jwx n GLU 8 Ca 0.13 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.52 2jwx n GLU 8 Cb 0.49 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.10 2jwx n GLU 8 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jwx s ALA 9 N -3.83 3.48 0.00 4.31 0.00 -1.26 -4.92 121.76 119.54 2jwx s ALA 9 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.28 2jwx s ALA 9 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.23 2jwx s ALA 9 CO 0.00 -1.44 0.00 -1.91 0.00 0.00 0.00 175.76 172.41 2jwx n GLU 10 N 5.19 0.00 -0.08 0.00 4.07 -1.26 -4.73 120.64 123.83 2jwx n GLU 10 Ca -0.11 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 56.91 2jwx n GLU 10 Cb 0.47 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.82 2jwx n GLU 10 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 2jwx h GLN 11 N 0.00 0.00 -6.52 5.31 7.50 -1.88 -3.36 115.11 116.17 2jwx h GLN 11 Ca 0.00 0.00 -0.57 0.00 0.50 0.00 0.00 58.65 58.58 2jwx h GLN 11 Cb 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.47 2jwx h GLN 11 CO 0.00 0.22 0.91 -1.25 -1.50 0.00 0.00 178.83 177.21 2jwx s PRO 12 N -2.26 3.85 0.00 1.46 0.05 -1.26 -3.02 135.00 133.83 2jwx s PRO 12 Ca -0.18 0.84 0.00 0.00 0.05 0.00 0.00 61.00 61.72 2jwx s PRO 12 Cb 0.03 -3.85 0.00 0.00 0.05 0.00 0.00 34.50 30.73 2jwx s PRO 12 CO 0.30 -1.20 0.00 0.41 0.05 0.00 0.00 177.00 176.56 2jwx n GLY 13 N 4.46 2.33 1.22 0.56 0.00 -1.26 -4.72 105.19 107.78 2jwx n GLY 13 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 2jwx n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwx n ALA 14 N -0.56 0.16 -3.28 4.61 0.00 -1.17 -5.00 120.51 115.27 2jwx n ALA 14 Ca 0.00 -0.76 -0.14 0.00 0.00 0.00 0.00 53.44 52.53 2jwx n ALA 14 Cb 0.00 0.41 -0.07 0.00 0.00 0.00 0.00 19.45 19.79 2jwx n ALA 14 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2jwx s LEU 15 N 0.00 0.19 -1.79 0.00 2.34 -1.26 -4.81 118.68 113.34 2jwx s LEU 15 Ca 0.01 0.21 0.00 0.00 0.06 0.00 0.00 54.13 54.41 2jwx s LEU 15 Cb -0.00 1.87 0.00 0.00 -0.56 0.00 0.00 46.19 47.50 2jwx s LEU 15 CO 0.01 -0.61 0.00 0.00 -1.06 0.00 0.00 176.35 174.68 2jwx n ALA 16 N 0.76 -0.31 -1.18 1.48 0.00 -1.26 -4.87 120.51 115.13 2jwx n ALA 16 Ca -0.19 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2jwx n ALA 16 Cb 0.58 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2jwx n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jwx n ARG 17 N -2.52 0.00 0.00 0.00 5.12 -1.26 -5.06 116.66 112.93 2jwx n ARG 17 Ca -0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 2jwx n ARG 17 Cb 0.59 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.89 2jwx n ARG 17 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2jwx n GLU 18 N -1.16 0.00 -0.06 5.56 -0.58 -1.26 -4.84 120.64 118.30 2jwx n GLU 18 Ca 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 2jwx n GLU 18 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2jwx n GLU 18 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 2jwx n PHE 19 N 13.39 0.05 -0.06 -0.32 1.16 -0.32 -4.67 117.46 126.69 2jwx n PHE 19 Ca 0.00 0.04 -0.03 0.00 -1.87 0.00 0.00 57.45 55.59 2jwx n PHE 19 Cb 0.00 -0.08 -0.01 0.00 -1.61 0.00 0.00 39.48 37.77 2jwx n PHE 19 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 2jwx h LEU 20 N 0.16 0.00 -8.12 5.98 3.38 -0.91 -3.43 115.31 112.37 2jwx h LEU 20 Ca -0.02 -0.06 -0.67 0.00 0.09 0.00 0.00 57.88 57.22 2jwx h LEU 20 Cb 0.05 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.63 2jwx h LEU 20 CO 0.03 0.65 0.57 0.00 0.09 0.00 0.00 178.44 179.78 2jwx s ALA 21 N -2.60 3.29 0.00 1.53 0.00 -1.26 -4.88 121.76 117.84 2jwx s ALA 21 Ca -0.07 -2.31 0.00 0.00 0.00 0.00 0.00 51.96 49.58 2jwx s ALA 21 Cb 0.01 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2jwx s ALA 21 CO 0.13 -2.77 0.00 0.00 0.00 0.00 0.00 175.76 173.12 2jwx n ALA 22 N 6.92 0.00 -0.67 0.00 0.00 -1.26 -4.39 120.51 121.11 2jwx n ALA 22 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2jwx n ALA 22 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2jwx n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jwx n MET 23 N -0.45 0.08 -4.08 0.00 0.00 -1.26 -5.07 117.12 106.34 2jwx n MET 23 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 57.70 57.46 2jwx n MET 23 Cb 0.00 -0.38 -0.17 0.00 0.00 0.00 0.00 33.22 32.67 2jwx n MET 23 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2jwx s GLU 24 N -0.02 1.02 0.11 3.17 2.12 -1.26 -5.13 118.70 118.70 2jwx s GLU 24 Ca 0.00 -0.12 -0.24 0.00 0.36 0.00 0.00 54.97 54.97 2jwx s GLU 24 Cb 0.00 -1.08 -0.07 0.00 0.26 0.00 0.00 34.13 33.24 2jwx s GLU 24 CO 0.00 -0.15 0.73 -1.25 -0.54 0.00 0.00 175.26 174.05 2jwx s PRO 25 N 1.27 4.48 0.35 4.30 0.04 -1.26 -5.04 135.00 139.14 2jwx s PRO 25 Ca -0.05 1.05 0.08 0.00 0.04 0.00 0.00 61.00 62.11 2jwx s PRO 25 Cb -0.14 -3.29 -0.07 0.00 0.04 0.00 0.00 34.50 31.04 2jwx s PRO 25 CO -0.02 0.48 -0.04 -1.83 0.04 0.00 0.00 177.00 175.62 2jwx s GLU 26 N -0.75 1.79 0.80 4.56 -1.05 -1.26 -5.13 118.70 117.66 2jwx s GLU 26 Ca 0.35 -1.95 -0.15 0.00 -0.15 0.00 0.00 54.97 53.07 2jwx s GLU 26 Cb -0.22 -1.49 -0.01 0.00 -0.44 0.00 0.00 34.13 31.97 2jwx s GLU 26 CO 0.24 0.04 0.52 -2.30 0.95 0.00 0.00 175.26 174.71 2jwx n PRO 27 N -0.79 0.11 -1.74 -4.83 -0.02 -1.26 -4.93 135.00 121.54 2jwx n PRO 27 Ca -0.05 0.08 -0.39 0.00 -2.02 0.00 0.00 63.50 61.13 2jwx n PRO 27 Cb 0.65 -1.87 0.04 0.00 -0.02 0.00 0.00 33.50 32.30 2jwx n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jwx n ALA 28 N -2.83 1.61 -0.74 3.55 0.00 -1.26 -4.99 120.51 115.86 2jwx n ALA 28 Ca 0.09 0.14 -0.32 0.00 0.00 0.00 0.00 53.44 53.35 2jwx n ALA 28 Cb 0.51 -2.36 0.14 0.00 0.00 0.00 0.00 19.45 17.75 2jwx n ALA 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jwx n PRO 29 N -0.95 -0.41 -3.56 0.00 -0.04 -1.26 -4.97 135.00 123.79 2jwx n PRO 29 Ca 0.10 -0.07 -0.35 0.00 -0.04 0.00 0.00 63.50 63.14 2jwx n PRO 29 Cb 0.44 -2.08 -0.06 0.00 -0.04 0.00 0.00 33.50 31.76 2jwx n PRO 29 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jwx n ALA 30 N -3.91 3.96 -1.47 0.55 0.00 -1.26 -5.00 120.51 113.37 2jwx n ALA 30 Ca 0.09 -4.64 -0.12 0.00 0.00 0.00 0.00 53.44 48.77 2jwx n ALA 30 Cb 0.53 -1.65 -0.10 0.00 0.00 0.00 0.00 19.45 18.23 2jwx n ALA 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jwx n PRO 31 N 2.02 0.15 -4.65 0.00 -0.04 -1.26 -4.91 135.00 126.32 2jwx n PRO 31 Ca 0.23 -1.16 -0.34 0.00 -0.04 0.00 0.00 63.50 62.20 2jwx n PRO 31 Cb 0.37 -3.22 -0.12 0.00 -0.04 0.00 0.00 33.50 30.49 2jwx n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jwx s ALA 32 N 12.96 2.89 -1.06 0.55 0.00 -1.26 -5.04 121.76 130.79 2jwx s ALA 32 Ca 0.72 -0.89 -0.24 0.00 0.00 0.00 0.00 51.96 51.54 2jwx s ALA 32 Cb -0.10 -1.24 -0.12 0.00 0.00 0.00 0.00 23.12 21.66 2jwx s ALA 32 CO 0.16 0.46 2.03 -1.25 0.00 0.00 0.00 175.76 177.16 2jwx s PRO 33 N -0.44 2.08 -0.57 0.00 0.04 -1.26 -4.16 135.00 130.69 2jwx s PRO 33 Ca 0.06 -0.64 -0.10 0.00 0.04 0.00 0.00 61.00 60.36 2jwx s PRO 33 Cb -0.12 -5.10 0.01 0.00 0.04 0.00 0.00 34.50 29.34 2jwx s PRO 33 CO 0.02 -4.30 0.64 0.39 0.04 0.00 0.00 177.00 173.79 2jwx n GLU 34 N 8.42 -1.92 0.00 4.56 1.02 -1.26 -4.97 120.64 126.49 2jwx n GLU 34 Ca 0.43 1.83 0.00 0.00 -0.02 0.00 0.00 57.16 59.41 2jwx n GLU 34 Cb 0.46 -5.61 0.00 0.00 -0.02 0.00 0.00 31.44 26.27 2jwx n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2jwx n GLU 35 N -0.94 1.19 -1.36 3.49 2.13 -1.26 -5.10 120.64 118.78 2jwx n GLU 35 Ca 0.06 -0.29 0.06 0.00 0.66 0.00 0.00 57.16 57.65 2jwx n GLU 35 Cb 0.48 -0.77 -0.03 0.00 0.27 0.00 0.00 31.44 31.39 2jwx n GLU 35 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 2jwx n TRP 36 N -0.25 -3.17 -4.09 4.31 7.02 -1.26 -4.96 117.44 115.04 2jwx n TRP 36 Ca 0.00 1.73 -0.28 0.00 -1.02 0.00 0.00 57.50 57.93 2jwx n TRP 36 Cb 0.03 -2.75 -0.17 0.00 -2.42 0.00 0.00 31.31 26.00 2jwx n TRP 36 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2jwx s LEU 37 N -5.86 1.52 -0.70 -0.99 2.96 -0.39 -4.92 118.68 110.30 2jwx s LEU 37 Ca 0.00 -0.40 -0.27 0.00 -0.22 0.00 0.00 54.13 53.23 2jwx s LEU 37 Cb 0.00 -1.03 0.03 0.00 0.50 0.00 0.00 46.19 45.69 2jwx s LEU 37 CO 0.00 -0.06 1.25 -0.62 -1.32 0.00 0.00 176.35 175.60 2jwx s ASP 38 N 1.43 6.22 0.12 3.68 -1.08 -1.26 -1.98 116.67 123.79 2jwx s ASP 38 Ca 0.02 -0.34 -0.19 0.00 -0.52 0.00 0.00 52.55 51.52 2jwx s ASP 38 Cb -0.13 -2.56 -0.06 0.00 -1.46 0.00 0.00 42.92 38.71 2jwx s ASP 38 CO -0.08 -1.75 1.74 0.40 0.52 0.00 0.00 175.17 176.00 2jwx h ILE 39 N 6.06 1.09 -0.01 4.11 2.04 -0.51 -2.83 117.51 127.47 2jwx h ILE 39 Ca -0.27 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2jwx h ILE 39 Cb 1.05 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2jwx h ILE 39 CO 1.26 0.09 -0.50 0.18 0.00 0.00 0.00 178.15 179.18 2jwx n LEU 40 N -4.89 1.39 -0.99 1.44 7.99 -1.26 -4.91 117.00 115.77 2jwx n LEU 40 Ca -0.03 -0.68 -0.13 0.00 -0.01 0.00 0.00 56.01 55.17 2jwx n LEU 40 Cb 0.06 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.31 2jwx n LEU 40 CO 0.34 0.28 -0.12 0.61 -1.51 0.00 0.00 177.39 176.99 2jwx n GLY 41 N 1.26 1.31 0.08 -0.72 0.00 -1.07 -4.86 105.19 101.19 2jwx n GLY 41 Ca 0.06 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.76 2jwx n GLY 41 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jwx n ASN 42 N -0.06 0.69 0.00 1.61 6.94 -1.26 -4.93 115.26 118.26 2jwx n ASN 42 Ca -0.13 0.18 0.00 0.00 -0.02 0.00 0.00 54.58 54.61 2jwx n ASN 42 Cb 0.42 0.65 0.00 0.00 -2.36 0.00 0.00 39.78 38.49 2jwx n ASN 42 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jwx n GLY 43 N 1.24 2.28 0.01 4.83 0.00 -1.26 -4.74 105.19 107.54 2jwx n GLY 43 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 2jwx n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jwx n LEU 44 N 0.00 0.24 -3.93 0.99 4.32 -1.26 -4.79 117.00 112.57 2jwx n LEU 44 Ca 0.00 -0.12 -0.31 0.00 -0.02 0.00 0.00 56.01 55.56 2jwx n LEU 44 Cb 0.00 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 41.65 2jwx n LEU 44 CO 0.00 0.06 -0.37 -0.22 -1.22 0.00 0.00 177.39 175.64 2jwx s LEU 45 N -4.09 3.31 -0.03 2.23 1.98 -1.24 -1.10 118.68 119.74 2jwx s LEU 45 Ca -0.04 -1.63 0.01 0.00 -2.89 0.00 0.00 54.13 49.58 2jwx s LEU 45 Cb 0.14 -1.29 0.01 0.00 0.66 0.00 0.00 46.19 45.72 2jwx s LEU 45 CO 0.87 -0.32 -0.04 -0.13 -1.89 0.00 0.00 176.35 174.84 2jwx s ARG 46 N 1.26 0.55 -0.10 1.98 0.52 0.66 0.33 118.95 124.15 2jwx s ARG 46 Ca 0.03 -0.09 -0.02 0.00 -0.52 0.00 0.00 55.73 55.14 2jwx s ARG 46 Cb -0.19 -0.59 -0.03 0.00 0.52 0.00 0.00 34.95 34.66 2jwx s ARG 46 CO -0.11 -0.03 -0.01 0.21 0.02 0.00 0.00 175.30 175.38 2jwx s LYS 47 N 0.58 3.07 -0.15 3.54 2.20 -0.84 -0.06 119.74 128.08 2jwx s LYS 47 Ca -0.07 -0.44 0.01 0.00 -0.36 0.00 0.00 55.97 55.11 2jwx s LYS 47 Cb -0.10 -2.80 0.02 0.00 -1.51 0.00 0.00 37.83 33.44 2jwx s LYS 47 CO -0.00 0.63 -0.16 0.21 -0.36 0.00 0.00 175.35 175.66 2jwx s LYS 48 N -0.68 2.47 -0.66 4.03 2.20 0.75 -1.26 119.74 126.60 2jwx s LYS 48 Ca 0.11 -0.63 -0.26 0.00 -0.36 0.00 0.00 55.97 54.82 2jwx s LYS 48 Cb -0.12 -2.19 -0.01 0.00 -1.51 0.00 0.00 37.83 34.00 2jwx s LYS 48 CO 0.02 -0.20 1.75 0.95 -0.36 0.00 0.00 175.35 177.51 2jwx s THR 49 N 1.35 3.44 -0.09 3.43 -4.23 -1.26 -0.92 115.64 117.36 2jwx s THR 49 Ca 0.03 0.19 -0.28 0.00 -1.18 0.00 0.00 61.69 60.46 2jwx s THR 49 Cb -0.13 -4.15 -0.24 0.00 1.34 0.00 0.00 72.50 69.32 2jwx s THR 49 CO -0.10 -1.11 0.96 -0.07 -0.54 0.00 0.00 174.62 173.76 2jwx h LEU 50 N 15.81 0.01 -7.93 4.79 3.38 -1.77 -3.38 115.31 126.23 2jwx h LEU 50 Ca -0.24 -0.80 -0.57 0.00 0.09 0.00 0.00 57.88 56.36 2jwx h LEU 50 Cb 1.13 -0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.53 2jwx h LEU 50 CO 1.23 0.82 -0.83 -0.69 0.09 0.00 0.00 178.44 179.06 2jwx s VAL 51 N -3.00 1.37 -0.17 1.22 1.01 -0.26 -5.01 120.40 115.56 2jwx s VAL 51 Ca -0.18 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 2jwx s VAL 51 Cb -0.01 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 2jwx s VAL 51 CO 0.69 0.42 0.12 -2.16 0.00 0.00 0.00 175.10 174.17 2jwx s PRO 52 N 1.13 3.92 0.69 2.72 0.04 -1.26 -0.16 135.00 142.09 2jwx s PRO 52 Ca -0.04 -0.21 -0.16 0.00 0.04 0.00 0.00 61.00 60.63 2jwx s PRO 52 Cb -0.14 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 31.10 2jwx s PRO 52 CO -0.03 0.45 1.22 0.20 0.04 0.00 0.00 177.00 178.88 2jwx s GLY 53 N -0.07 2.50 -0.42 0.56 0.00 -1.26 -4.77 107.32 103.86 2jwx s GLY 53 Ca 0.10 0.96 -0.34 0.00 0.00 0.00 0.00 44.72 45.43 2jwx s GLY 53 CO 0.00 1.36 2.26 -1.55 0.00 0.00 0.00 173.10 175.17 2jwx n PRO 54 N -2.40 0.97 -1.27 2.90 -0.04 -1.26 -4.61 135.00 129.29 2jwx n PRO 54 Ca 0.14 0.23 -0.35 0.00 -0.04 0.00 0.00 63.50 63.48 2jwx n PRO 54 Cb 0.50 -2.47 -0.13 0.00 -0.04 0.00 0.00 33.50 31.36 2jwx n PRO 54 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2jwx n PRO 55 N 8.31 0.00 0.00 0.54 -0.02 -1.26 0.25 135.00 142.81 2jwx n PRO 55 Ca 0.43 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2jwx n PRO 55 Cb 0.24 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 2jwx n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jwx n GLY 56 N 5.54 3.37 0.00 -1.23 0.00 -1.26 -4.89 105.19 106.73 2jwx n GLY 56 Ca 0.56 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2jwx n GLY 56 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jwx n SER 57 N 0.00 0.00 -3.70 1.61 2.88 0.14 -1.17 113.62 113.38 2jwx n SER 57 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2jwx n SER 57 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 2jwx n SER 57 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jwx s SER 58 N 0.00 -0.41 -0.81 -3.46 0.01 -1.26 -0.30 113.70 107.47 2jwx s SER 58 Ca 0.00 0.82 -0.07 0.00 1.31 0.00 0.00 55.95 58.01 2jwx s SER 58 Cb 0.00 0.75 0.21 0.00 0.21 0.00 0.00 66.02 67.18 2jwx s SER 58 CO 0.00 -0.19 0.70 -0.13 0.41 0.00 0.00 173.24 174.02 2jwx s ARG 59 N 1.52 3.24 0.31 12.44 1.81 -1.22 -1.62 118.95 135.43 2jwx s ARG 59 Ca -0.08 -2.76 -0.30 0.00 -1.72 0.00 0.00 55.73 50.87 2jwx s ARG 59 Cb -0.09 -4.10 -0.11 0.00 -0.45 0.00 0.00 34.95 30.20 2jwx s ARG 59 CO -0.12 -1.24 1.60 -1.25 -0.68 0.00 0.00 175.30 173.61 2jwx s PRO 60 N -0.42 4.11 0.20 3.54 0.04 -1.26 -4.86 135.00 136.34 2jwx s PRO 60 Ca 0.21 2.60 -0.17 0.00 0.04 0.00 0.00 61.00 63.69 2jwx s PRO 60 Cb -0.13 -3.01 -0.08 0.00 0.04 0.00 0.00 34.50 31.32 2jwx s PRO 60 CO -0.08 -0.64 0.65 0.14 0.04 0.00 0.00 177.00 177.11 2jwx s VAL 61 N -0.14 4.71 -0.79 -0.36 -7.23 -1.26 -4.39 120.40 110.94 2jwx s VAL 61 Ca 0.62 1.04 -0.29 0.00 -1.81 0.00 0.00 61.98 61.54 2jwx s VAL 61 Cb -0.48 -3.78 -0.16 0.00 0.56 0.00 0.00 36.38 32.52 2jwx s VAL 61 CO 0.50 0.18 2.58 0.29 -0.31 0.00 0.00 175.10 178.34 2jwx n LYS 62 N 0.63 0.43 0.00 4.82 4.01 -1.26 -0.66 118.16 126.13 2jwx n LYS 62 Ca -0.03 -0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.77 2jwx n LYS 62 Cb 0.52 -2.30 0.00 0.00 -0.51 0.00 0.00 35.03 32.73 2jwx n LYS 62 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2jwx n GLY 63 N 6.30 0.75 3.77 0.72 0.00 0.15 -4.66 105.19 112.22 2jwx n GLY 63 Ca 0.54 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.17 2jwx n GLY 63 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jwx s GLN 64 N 0.00 4.51 -0.10 1.61 -1.52 0.17 -1.60 119.66 122.73 2jwx s GLN 64 Ca 0.00 1.09 -0.30 0.00 -1.95 0.00 0.00 55.36 54.21 2jwx s GLN 64 Cb 0.00 -3.28 -0.03 0.00 -0.22 0.00 0.00 33.01 29.48 2jwx s GLN 64 CO 0.00 0.51 1.35 0.14 -0.25 0.00 0.00 175.29 177.05 2jwx s VAL 65 N -0.89 4.05 -0.13 1.09 -7.23 0.17 -2.46 120.40 114.99 2jwx s VAL 65 Ca 0.36 1.31 0.01 0.00 -1.81 0.00 0.00 61.98 61.85 2jwx s VAL 65 Cb -0.22 -3.85 -0.00 0.00 0.56 0.00 0.00 36.38 32.87 2jwx s VAL 65 CO 0.25 -0.08 -0.18 0.68 -0.31 0.00 0.00 175.10 175.46 2jwx s VAL 66 N 3.26 2.56 -0.42 1.32 -7.23 -1.03 -1.23 120.40 117.63 2jwx s VAL 66 Ca 0.60 -0.83 -0.21 0.00 -1.81 0.00 0.00 61.98 59.74 2jwx s VAL 66 Cb -0.26 -2.05 0.02 0.00 0.56 0.00 0.00 36.38 34.65 2jwx s VAL 66 CO 0.20 0.53 0.65 -0.89 -0.31 0.00 0.00 175.10 175.29 2jwx s THR 67 N 0.55 4.83 -0.16 5.32 2.01 -0.81 -2.27 115.64 125.11 2jwx s THR 67 Ca -0.11 0.26 -0.00 0.00 0.31 0.00 0.00 61.69 62.15 2jwx s THR 67 Cb -0.16 -4.18 -0.00 0.00 0.01 0.00 0.00 72.50 68.16 2jwx s THR 67 CO 0.04 -0.53 -0.14 0.68 -0.69 0.00 0.00 174.62 173.97 2jwx s VAL 68 N 2.83 2.74 -0.43 3.82 -7.23 0.85 -2.47 120.40 120.51 2jwx s VAL 68 Ca 0.24 -0.75 -0.26 0.00 -1.81 0.00 0.00 61.98 59.40 2jwx s VAL 68 Cb -0.14 -2.16 0.02 0.00 0.56 0.00 0.00 36.38 34.66 2jwx s VAL 68 CO 0.18 0.51 0.98 -2.28 -0.31 0.00 0.00 175.10 174.18 2jwx s HIS 69 N 0.81 2.96 -0.08 2.82 2.46 0.20 0.21 115.29 124.67 2jwx s HIS 69 Ca -0.05 0.61 0.04 0.00 0.47 0.00 0.00 55.06 56.13 2jwx s HIS 69 Cb -0.15 -3.96 -0.01 0.00 -0.13 0.00 0.00 32.58 28.33 2jwx s HIS 69 CO 0.00 -1.04 -0.20 -0.48 -2.47 0.00 0.00 174.74 170.56 2jwx s LEU 70 N 3.81 2.36 -0.26 8.88 2.34 -0.41 -0.14 118.68 135.27 2jwx s LEU 70 Ca 0.40 -0.42 0.02 0.00 0.06 0.00 0.00 54.13 54.20 2jwx s LEU 70 Cb -0.10 -1.47 0.06 0.00 -0.56 0.00 0.00 46.19 44.12 2jwx s LEU 70 CO 0.25 0.23 -0.08 -1.10 -1.06 0.00 0.00 176.35 174.58 2jwx s GLN 71 N -0.04 2.01 -0.12 1.48 1.11 -0.57 0.29 119.66 123.83 2jwx s GLN 71 Ca -0.06 -1.29 -0.13 0.00 0.01 0.00 0.00 55.36 53.89 2jwx s GLN 71 Cb -0.15 -2.82 -0.05 0.00 -1.01 0.00 0.00 33.01 28.99 2jwx s GLN 71 CO 0.05 -0.60 0.31 0.99 0.01 0.00 0.00 175.29 176.04 2jwx s THR 72 N 1.17 5.27 0.01 -0.19 2.01 0.99 -2.52 115.64 122.38 2jwx s THR 72 Ca -0.07 0.59 0.04 0.00 0.31 0.00 0.00 61.69 62.57 2jwx s THR 72 Cb -0.20 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 2jwx s THR 72 CO -0.06 0.45 -0.10 -0.44 -0.69 0.00 0.00 174.62 173.79 2jwx s SER 73 N -0.00 4.41 1.07 3.53 0.01 0.14 -0.10 113.70 122.76 2jwx s SER 73 Ca 0.18 -0.21 -0.12 0.00 1.31 0.00 0.00 55.95 57.11 2jwx s SER 73 Cb -0.14 -0.96 0.23 0.00 0.21 0.00 0.00 66.02 65.36 2jwx s SER 73 CO 0.06 0.28 1.06 -0.22 0.41 0.00 0.00 173.24 174.83 2jwx s LEU 74 N -1.40 1.42 0.60 2.44 1.98 0.17 -0.12 118.68 123.77 2jwx s LEU 74 Ca 0.16 1.59 0.40 0.00 -2.89 0.00 0.00 54.13 53.39 2jwx s LEU 74 Cb -0.11 -3.67 2.10 0.00 0.66 0.00 0.00 46.19 45.17 2jwx s LEU 74 CO 0.07 -3.73 2.21 1.05 -1.89 0.00 0.00 176.35 174.06 2jwx h GLU 75 N -2.30 0.00 -0.03 1.98 4.11 -1.52 0.60 114.58 117.42 2jwx h GLU 75 Ca -0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.87 2jwx h GLU 75 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2jwx h GLU 75 CO 0.50 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.67 2jwx n ASN 76 N -2.94 1.03 0.00 3.06 3.02 -1.26 -4.92 115.26 113.25 2jwx n ASN 76 Ca -0.02 -1.40 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 2jwx n ASN 76 Cb 0.10 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 2jwx n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jwx n GLY 77 N 1.09 2.71 3.60 7.41 0.00 0.21 -5.00 105.19 115.21 2jwx n GLY 77 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 2jwx n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwx s THR 78 N -2.33 3.37 -0.27 2.61 2.01 -1.26 -4.36 115.64 115.41 2jwx s THR 78 Ca 0.00 0.37 -0.34 0.00 0.31 0.00 0.00 61.69 62.03 2jwx s THR 78 Cb 0.00 -3.52 -0.10 0.00 0.01 0.00 0.00 72.50 68.89 2jwx s THR 78 CO 0.00 -0.34 2.13 0.54 -0.69 0.00 0.00 174.62 176.26 2jwx n ARG 79 N 8.53 1.45 -0.02 4.92 5.12 -1.26 0.43 116.66 135.83 2jwx n ARG 79 Ca 0.24 0.43 0.08 0.00 -1.93 0.00 0.00 57.85 56.67 2jwx n ARG 79 Cb 0.47 -2.64 -0.16 0.00 -1.16 0.00 0.00 32.46 28.96 2jwx n ARG 79 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2jwx n VAL 80 N 6.87 0.18 -3.63 1.55 0.24 0.85 -4.93 118.33 119.47 2jwx n VAL 80 Ca 0.35 -0.52 -0.12 0.00 -2.04 0.00 0.00 64.34 62.01 2jwx n VAL 80 Cb 0.28 -0.04 -0.07 0.00 -1.47 0.00 0.00 33.84 32.54 2jwx n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jwx s GLN 81 N -3.30 0.76 -0.11 7.34 -2.07 -1.19 -4.75 119.66 116.35 2jwx s GLN 81 Ca -0.08 0.98 0.03 0.00 -1.82 0.00 0.00 55.36 54.47 2jwx s GLN 81 Cb 0.12 0.34 0.01 0.00 -1.09 0.00 0.00 33.01 32.39 2jwx s GLN 81 CO 0.85 -0.10 -0.20 -2.00 -1.32 0.00 0.00 175.29 172.52 2jwx s GLU 82 N 0.59 2.66 -0.36 9.60 2.12 -1.26 -0.01 118.70 132.05 2jwx s GLU 82 Ca -0.01 -0.73 0.03 0.00 0.36 0.00 0.00 54.97 54.62 2jwx s GLU 82 Cb -0.05 -2.13 0.10 0.00 0.26 0.00 0.00 34.13 32.32 2jwx s GLU 82 CO -0.04 0.04 0.08 -2.00 -0.54 0.00 0.00 175.26 172.80 2jwx s GLU 83 N 0.70 1.41 -1.05 4.30 2.56 0.15 -4.99 118.70 121.78 2jwx s GLU 83 Ca -0.11 -1.84 -0.23 0.00 0.00 0.00 0.00 54.97 52.78 2jwx s GLU 83 Cb -0.16 -3.02 -0.05 0.00 2.00 0.00 0.00 34.13 32.89 2jwx s GLU 83 CO 0.02 -0.97 1.90 -1.25 -0.56 0.00 0.00 175.26 174.41 2jwx s PRO 84 N 0.87 2.66 0.00 4.30 0.04 -1.26 -1.29 135.00 140.32 2jwx s PRO 84 Ca 0.12 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.37 2jwx s PRO 84 Cb -0.20 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.17 2jwx s PRO 84 CO -0.09 -3.51 0.00 0.39 0.04 0.00 0.00 177.00 173.83 2jwx n GLU 85 N 8.60 0.00 -3.63 4.56 1.02 -1.25 -4.94 120.64 125.00 2jwx n GLU 85 Ca 0.42 0.18 -0.40 0.00 -0.02 0.00 0.00 57.16 57.34 2jwx n GLU 85 Cb 0.47 -0.35 -0.10 0.00 -0.02 0.00 0.00 31.44 31.43 2jwx n GLU 85 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2jwx s LEU 86 N 0.00 5.02 -0.17 -4.62 2.96 0.13 -4.76 118.68 117.24 2jwx s LEU 86 Ca 0.00 -1.45 -0.08 0.00 -0.22 0.00 0.00 54.13 52.37 2jwx s LEU 86 Cb 0.00 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 2jwx s LEU 86 CO 0.00 -0.50 0.12 0.54 -1.32 0.00 0.00 176.35 175.18 2jwx s VAL 87 N 1.41 5.28 0.24 1.68 0.11 -1.22 -0.11 120.40 127.80 2jwx s VAL 87 Ca 0.03 0.14 -0.12 0.00 -2.93 0.00 0.00 61.98 59.10 2jwx s VAL 87 Cb -0.22 -3.37 -0.01 0.00 -1.53 0.00 0.00 36.38 31.25 2jwx s VAL 87 CO 0.02 0.50 0.44 0.72 -3.33 0.00 0.00 175.10 173.45 2jwx s PHE 88 N -0.04 0.42 -0.59 1.54 -0.71 -0.96 -4.93 117.98 112.72 2jwx s PHE 88 Ca 0.09 -0.77 -0.28 0.00 -1.04 0.00 0.00 56.93 54.94 2jwx s PHE 88 Cb -0.11 0.12 0.03 0.00 -1.21 0.00 0.00 43.02 41.85 2jwx s PHE 88 CO 0.00 -0.95 1.17 0.99 -1.34 0.00 0.00 175.22 175.09 2jwx s THR 89 N -4.02 4.04 0.38 -4.49 2.01 -1.26 -2.46 115.64 109.83 2jwx s THR 89 Ca 0.23 0.82 -0.27 0.00 0.31 0.00 0.00 61.69 62.79 2jwx s THR 89 Cb 0.00 -4.72 -0.11 0.00 0.01 0.00 0.00 72.50 67.68 2jwx s THR 89 CO 0.09 -1.35 1.24 -0.11 -0.69 0.00 0.00 174.62 173.80 2jwx n LEU 90 N 8.40 3.57 0.00 4.42 7.94 -1.03 -2.55 117.00 137.74 2jwx n LEU 90 Ca 0.08 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 2jwx n LEU 90 Cb 0.49 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.97 2jwx n LEU 90 CO 0.71 -0.69 0.00 0.61 -1.11 0.00 0.00 177.39 176.91 2jwx n GLY 91 N 0.85 0.32 0.89 -3.96 0.00 -1.19 0.33 105.19 102.43 2jwx n GLY 91 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 2jwx n GLY 91 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jwx n ASP 92 N -0.30 3.48 -4.21 1.61 2.03 -1.06 -4.90 116.55 113.21 2jwx n ASP 92 Ca 0.00 -2.28 -0.30 0.00 0.52 0.00 0.00 54.79 52.73 2jwx n ASP 92 Cb 0.15 -0.37 -0.07 0.00 -0.72 0.00 0.00 41.12 40.11 2jwx n ASP 92 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jwx h ASP 94 N -1.75 0.00 -0.10 0.00 1.82 -1.93 -3.44 116.42 111.02 2jwx h ASP 94 Ca -0.65 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 55.99 2jwx h ASP 94 Cb 1.39 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.40 2jwx h ASP 94 CO 0.69 0.19 0.00 1.33 -1.61 0.00 0.00 179.24 179.85 2jwx n VAL 95 N -3.96 0.00 -2.60 2.25 0.24 -1.26 -4.96 118.33 108.04 2jwx n VAL 95 Ca -0.02 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.88 2jwx n VAL 95 Cb 0.28 -0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.60 2jwx n VAL 95 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2jwx s ILE 96 N 1.93 3.80 0.54 1.34 -0.00 -1.26 -4.89 121.20 122.66 2jwx s ILE 96 Ca 0.00 1.77 0.27 0.00 -0.00 0.00 0.00 60.65 62.70 2jwx s ILE 96 Cb 0.00 -4.13 0.42 0.00 -0.00 0.00 0.00 42.46 38.75 2jwx s ILE 96 CO 0.00 0.41 1.96 -0.61 -0.00 0.00 0.00 174.94 176.70 2jwx h GLN 97 N 4.14 0.00 -0.38 0.37 5.75 -1.21 0.23 115.11 124.00 2jwx h GLN 97 Ca -0.46 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.12 2jwx h GLN 97 Cb 1.21 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.68 2jwx h GLN 97 CO 0.68 0.00 -0.17 0.00 -2.65 0.00 0.00 178.83 176.69 2jwx h ALA 98 N 1.66 0.13 0.04 3.38 0.00 -0.96 -1.48 119.26 122.04 2jwx h ALA 98 Ca 0.29 0.14 -0.25 0.00 0.00 0.00 0.00 54.91 55.09 2jwx h ALA 98 Cb 1.19 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 2jwx h ALA 98 CO -0.00 -0.53 -1.22 1.25 0.00 0.00 0.00 179.25 178.75 2jwx h LEU 99 N -0.10 0.12 -0.83 0.00 5.85 -0.90 -2.09 115.31 117.37 2jwx h LEU 99 Ca 0.19 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 2jwx h LEU 99 Cb 0.39 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2jwx h LEU 99 CO -0.45 1.12 -0.52 -0.78 -0.34 0.00 0.00 178.44 177.48 2jwx h ASP 100 N 0.02 0.20 0.29 1.25 3.58 -0.78 -2.11 116.42 118.87 2jwx h ASP 100 Ca -0.10 -0.10 -0.33 0.00 0.42 0.00 0.00 57.03 56.92 2jwx h ASP 100 Cb 1.87 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 42.83 2jwx h ASP 100 CO 0.14 0.68 -1.91 0.18 -2.88 0.00 0.00 179.24 175.45 2jwx n LEU 101 N -3.94 1.58 -0.01 2.28 4.77 -0.58 -3.14 117.00 117.97 2jwx n LEU 101 Ca -0.02 0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 56.10 2jwx n LEU 101 Cb 0.55 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 2jwx n LEU 101 CO 0.43 0.60 0.34 -1.28 -1.33 0.00 0.00 177.39 176.15 2jwx h SER 102 N 0.03 0.77 0.01 -1.43 0.87 -1.04 -2.90 113.55 109.87 2jwx h SER 102 Ca -0.37 -0.48 0.03 0.00 -1.23 0.00 0.00 61.79 59.74 2jwx h SER 102 Cb 2.03 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 63.72 2jwx h SER 102 CO 0.07 1.25 -0.26 0.58 -0.53 0.00 0.00 176.83 177.94 2jwx h VAL 103 N 0.47 0.41 0.00 2.23 2.07 -1.64 -0.41 116.25 119.37 2jwx h VAL 103 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2jwx h VAL 103 Cb 1.30 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2jwx h VAL 103 CO 0.14 0.00 -0.02 -0.65 0.02 0.00 0.00 177.57 177.05 2jwx h PRO 104 N -0.41 0.00 -0.00 1.57 0.11 -1.76 0.29 132.00 131.80 2jwx h PRO 104 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2jwx h PRO 104 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 2jwx h PRO 104 CO -0.22 0.02 -0.07 1.28 -0.21 0.00 0.00 178.00 178.81 2jwx n LEU 105 N -3.28 0.13 -4.75 2.35 4.77 -0.38 -4.68 117.00 111.17 2jwx n LEU 105 Ca -0.02 0.30 -0.22 0.00 -0.03 0.00 0.00 56.01 56.03 2jwx n LEU 105 Cb 0.16 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.84 2jwx n LEU 105 CO 0.24 0.03 -0.21 0.00 -1.33 0.00 0.00 177.39 176.12 2jwx s MET 106 N -2.77 2.58 0.33 3.23 0.23 0.10 -4.99 119.30 118.01 2jwx s MET 106 Ca 0.21 -1.32 0.07 0.00 -1.03 0.00 0.00 55.69 53.62 2jwx s MET 106 Cb 0.19 -2.34 -0.01 0.00 -1.53 0.00 0.00 34.83 31.14 2jwx s MET 106 CO 0.51 0.27 0.43 -0.51 -2.03 0.00 0.00 175.02 173.70 2jwx s ASP 107 N -3.82 5.89 0.25 -1.18 1.11 -1.26 -4.63 116.67 113.03 2jwx s ASP 107 Ca 0.35 -0.21 -0.30 0.00 0.18 0.00 0.00 52.55 52.56 2jwx s ASP 107 Cb -0.06 -1.25 -0.11 0.00 1.07 0.00 0.00 42.92 42.58 2jwx s ASP 107 CO 0.23 -0.39 1.54 -0.69 1.18 0.00 0.00 175.17 177.04 2jwx s VAL 108 N -2.18 2.39 0.00 -1.27 1.01 -0.64 -2.07 120.40 117.65 2jwx s VAL 108 Ca 0.43 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.73 2jwx s VAL 108 Cb -0.09 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2jwx s VAL 108 CO 0.30 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2jwx n GLY 109 N 2.55 0.67 3.87 4.51 0.00 0.54 -4.16 105.19 113.17 2jwx n GLY 109 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2jwx n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jwx s GLU 110 N -0.74 3.77 -0.19 1.61 2.12 -0.88 -4.23 118.70 120.16 2jwx s GLU 110 Ca 0.00 0.68 -0.03 0.00 0.36 0.00 0.00 54.97 55.98 2jwx s GLU 110 Cb 0.00 -2.22 0.06 0.00 0.26 0.00 0.00 34.13 32.23 2jwx s GLU 110 CO 0.00 -0.27 0.04 0.99 -0.54 0.00 0.00 175.26 175.48 2jwx s THR 111 N -2.70 0.45 -0.01 -1.70 2.01 0.78 -2.43 115.64 112.03 2jwx s THR 111 Ca 0.54 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 62.07 2jwx s THR 111 Cb -0.10 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 2jwx s THR 111 CO 0.38 -0.23 -0.16 0.00 -0.69 0.00 0.00 174.62 173.93 2jwx s ALA 112 N 1.89 1.32 -0.24 7.40 0.00 -0.83 -1.10 121.76 130.20 2jwx s ALA 112 Ca -0.01 -0.67 -0.15 0.00 0.00 0.00 0.00 51.96 51.13 2jwx s ALA 112 Cb -0.17 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 2jwx s ALA 112 CO -0.08 0.31 0.38 1.41 0.00 0.00 0.00 175.76 177.78 2jwx s MET 113 N -0.33 4.10 -0.21 0.00 -2.45 -0.09 -0.30 119.30 120.02 2jwx s MET 113 Ca 0.05 0.11 -0.00 0.00 -1.25 0.00 0.00 55.69 54.60 2jwx s MET 113 Cb -0.07 -3.59 0.02 0.00 1.25 0.00 0.00 34.83 32.44 2jwx s MET 113 CO -0.00 -0.15 -0.13 0.08 1.05 0.00 0.00 175.02 175.87 2jwx s VAL 114 N 1.66 2.48 -0.40 10.11 1.01 0.74 -0.17 120.40 135.82 2jwx s VAL 114 Ca 0.17 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 2jwx s VAL 114 Cb -0.15 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.09 2jwx s VAL 114 CO 0.09 0.39 0.67 0.42 0.00 0.00 0.00 175.10 176.66 2jwx s THR 115 N 1.31 4.82 -0.04 3.92 -4.23 0.92 -0.30 115.64 122.04 2jwx s THR 115 Ca 0.03 0.42 -0.01 0.00 -1.18 0.00 0.00 61.69 60.95 2jwx s THR 115 Cb -0.15 -4.16 0.03 0.00 1.34 0.00 0.00 72.50 69.56 2jwx s THR 115 CO -0.09 -0.48 0.02 0.00 -0.54 0.00 0.00 174.62 173.54 2jwx s ALA 116 N 2.86 0.37 0.83 3.99 0.00 -0.06 -0.24 121.76 129.51 2jwx s ALA 116 Ca 0.25 0.11 -0.14 0.00 0.00 0.00 0.00 51.96 52.18 2jwx s ALA 116 Cb -0.14 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.48 2jwx s ALA 116 CO 0.17 -0.30 0.57 -3.47 0.00 0.00 0.00 175.76 172.74 2jwx n ASP 117 N 4.75 -1.26 0.22 0.00 -0.08 -0.26 0.11 116.55 120.04 2jwx n ASP 117 Ca -0.15 0.48 0.08 0.00 -1.51 0.00 0.00 54.79 53.69 2jwx n ASP 117 Cb 0.50 -1.26 0.53 0.00 2.34 0.00 0.00 41.12 43.23 2jwx n ASP 117 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2jwx h SER 118 N -0.97 0.00 0.02 1.67 0.87 -1.59 0.40 113.55 113.95 2jwx h SER 118 Ca -0.45 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2jwx h SER 118 Cb 1.31 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.27 2jwx h SER 118 CO 0.39 0.24 -0.00 0.07 -0.53 0.00 0.00 176.83 177.00 2jwx h LYS 119 N 0.00 0.00 -0.02 2.24 2.10 -1.87 1.50 116.57 120.52 2jwx h LYS 119 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2jwx h LYS 119 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2jwx h LYS 119 CO 0.03 0.00 -0.31 0.66 -2.00 0.00 0.00 179.45 177.83 2jwx n TYR 120 N -3.30 0.00 0.00 0.07 4.02 0.11 -4.77 117.16 113.29 2jwx n TYR 120 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 2jwx n TYR 120 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 2jwx n TYR 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jwx n TYR 122 N -0.99 0.00 0.01 0.00 4.01 0.30 -4.57 117.16 115.92 2jwx n TYR 122 Ca 0.00 -0.15 -0.01 0.00 -0.16 0.00 0.00 57.90 57.59 2jwx n TYR 122 Cb 0.00 -0.06 -0.00 0.00 -0.31 0.00 0.00 39.34 38.97 2jwx n TYR 122 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2jwx h GLY 123 N 0.00 -0.27 -1.44 2.72 0.00 0.14 0.34 103.07 104.57 2jwx h GLY 123 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2jwx h GLY 123 CO 0.00 -0.10 0.00 -1.55 0.00 0.00 0.00 176.54 174.89 2jwx n PRO 124 N -2.19 1.99 -0.02 4.80 -0.04 -1.26 -4.28 135.00 134.00 2jwx n PRO 124 Ca -0.00 -1.25 -0.03 0.00 -0.04 0.00 0.00 63.50 62.17 2jwx n PRO 124 Cb 0.02 -1.39 -0.02 0.00 -0.04 0.00 0.00 33.50 32.06 2jwx n PRO 124 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2jwx n GLN 125 N 0.44 0.16 -0.84 0.54 6.02 -1.16 -5.14 117.38 117.40 2jwx n GLN 125 Ca 0.11 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 2jwx n GLN 125 Cb 0.37 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.54 2jwx n GLN 125 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jwx n GLY 126 N 3.27 -3.60 3.94 1.08 0.00 0.12 -4.97 105.19 105.03 2jwx n GLY 126 Ca -0.08 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.68 2jwx n GLY 126 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jwx s SER 127 N -3.79 6.01 0.17 1.61 0.15 -1.21 -4.76 113.70 111.88 2jwx s SER 127 Ca 0.00 0.43 -0.15 0.00 0.70 0.00 0.00 55.95 56.93 2jwx s SER 127 Cb 0.00 -1.77 0.11 0.00 -1.71 0.00 0.00 66.02 62.65 2jwx s SER 127 CO 0.00 -0.59 1.73 0.08 1.20 0.00 0.00 173.24 175.67 2jwx h ARG 128 N 0.45 0.23 0.00 5.44 0.11 -2.00 -3.36 114.38 115.25 2jwx h ARG 128 Ca -0.47 -0.01 -0.08 0.00 0.10 0.00 0.00 59.98 59.51 2jwx h ARG 128 Cb 1.24 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.25 2jwx h ARG 128 CO 0.59 0.15 -1.14 0.45 0.10 0.00 0.00 179.97 180.12 2jwx n SER 129 N -5.07 1.77 -4.40 0.08 2.88 -1.26 -4.91 113.62 102.71 2jwx n SER 129 Ca 0.03 0.30 -0.40 0.00 -1.33 0.00 0.00 58.87 57.46 2jwx n SER 129 Cb 0.18 -0.68 -0.11 0.00 -0.75 0.00 0.00 64.21 62.85 2jwx n SER 129 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2jwx s PRO 130 N -2.69 2.95 -0.19 -1.46 0.05 -1.26 -5.03 135.00 127.37 2jwx s PRO 130 Ca -0.26 -1.00 -0.29 0.00 0.05 0.00 0.00 61.00 59.51 2jwx s PRO 130 Cb 0.05 -3.72 -0.06 0.00 0.05 0.00 0.00 34.50 30.83 2jwx s PRO 130 CO 0.37 -0.64 2.19 0.98 0.05 0.00 0.00 177.00 179.95 2jwx n TYR 131 N 5.01 2.03 -2.79 0.56 9.36 -1.26 -3.29 117.16 126.79 2jwx n TYR 131 Ca -0.12 -0.15 -0.42 0.00 3.32 0.00 0.00 57.90 60.52 2jwx n TYR 131 Cb 0.47 -2.74 -0.03 0.00 -0.63 0.00 0.00 39.34 36.41 2jwx n TYR 131 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2jwx s ILE 132 N 7.76 4.68 -0.47 2.97 -1.09 -1.26 -4.83 121.20 128.96 2jwx s ILE 132 Ca 0.99 1.55 -0.41 0.00 -2.23 0.00 0.00 60.65 60.55 2jwx s ILE 132 Cb -0.36 -4.26 -0.18 0.00 -1.58 0.00 0.00 42.46 36.07 2jwx s ILE 132 CO 0.37 -0.30 2.02 -2.65 -1.23 0.00 0.00 174.94 173.14 2jwx n PRO 133 N 6.44 0.00 -1.57 2.79 -0.02 -1.26 -4.34 135.00 137.04 2jwx n PRO 133 Ca 0.08 0.00 -0.48 0.00 -2.02 0.00 0.00 63.50 61.08 2jwx n PRO 133 Cb 0.47 -1.41 -0.04 0.00 -0.02 0.00 0.00 33.50 32.50 2jwx n PRO 133 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jwx n PRO 134 N 7.07 1.12 -0.55 0.52 -0.04 -1.26 -0.05 135.00 141.81 2jwx n PRO 134 Ca 0.52 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 2jwx n PRO 134 Cb -0.04 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 2jwx n PRO 134 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2jwx n HIS 135 N 1.20 0.00 -1.61 0.54 -0.00 -1.26 -4.93 115.22 109.16 2jwx n HIS 135 Ca 0.14 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.43 2jwx n HIS 135 Cb 0.26 -0.03 -0.03 0.00 -0.00 0.00 0.00 29.99 30.19 2jwx n HIS 135 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jwx n ALA 136 N 0.56 1.72 -2.46 1.57 0.00 0.93 -3.98 120.51 118.85 2jwx n ALA 136 Ca 0.00 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 2jwx n ALA 136 Cb 0.00 -2.86 -0.02 0.00 0.00 0.00 0.00 19.45 16.57 2jwx n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jwx s ALA 137 N 7.32 3.38 0.75 0.00 0.00 -1.26 -2.30 121.76 129.64 2jwx s ALA 137 Ca 0.98 0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 2jwx s ALA 137 Cb -0.37 -3.76 0.04 0.00 0.00 0.00 0.00 23.12 19.02 2jwx s ALA 137 CO 0.37 -1.75 1.09 -0.51 0.00 0.00 0.00 175.76 174.96 2jwx s LEU 138 N 4.27 2.80 -0.29 0.00 2.01 0.12 -1.33 118.68 126.26 2jwx s LEU 138 Ca 0.54 1.32 -0.04 0.00 0.01 0.00 0.00 54.13 55.97 2jwx s LEU 138 Cb -0.16 -4.05 0.10 0.00 0.01 0.00 0.00 46.19 42.09 2jwx s LEU 138 CO 0.22 -1.66 0.12 0.00 1.01 0.00 0.00 176.35 176.04 2jwx s LEU 140 N 2.03 2.78 -0.30 0.00 2.34 0.59 0.24 118.68 126.36 2jwx s LEU 140 Ca 0.09 -0.40 -0.24 0.00 0.06 0.00 0.00 54.13 53.64 2jwx s LEU 140 Cb -0.16 -1.68 0.00 0.00 -0.56 0.00 0.00 46.19 43.79 2jwx s LEU 140 CO -0.34 0.03 0.81 -0.70 -1.06 0.00 0.00 176.35 175.10 2jwx s GLU 141 N 1.17 4.00 0.03 1.48 2.12 -1.05 -0.19 118.70 126.27 2jwx s GLU 141 Ca 0.02 0.67 0.04 0.00 0.36 0.00 0.00 54.97 56.06 2jwx s GLU 141 Cb -0.14 -3.72 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 2jwx s GLU 141 CO -0.02 -0.67 -0.05 0.14 -0.54 0.00 0.00 175.26 174.11 2jwx s VAL 142 N 2.99 3.73 -0.28 3.70 -7.23 0.59 -1.51 120.40 122.39 2jwx s VAL 142 Ca 0.34 -0.86 0.03 0.00 -1.81 0.00 0.00 61.98 59.68 2jwx s VAL 142 Cb -0.14 -2.67 0.07 0.00 0.56 0.00 0.00 36.38 34.20 2jwx s VAL 142 CO 0.12 0.31 -0.07 -0.89 -0.31 0.00 0.00 175.10 174.26 2jwx s THR 143 N -1.09 2.13 -0.21 5.32 2.01 0.81 -1.97 115.64 122.65 2jwx s THR 143 Ca 0.19 -1.77 -0.24 0.00 0.31 0.00 0.00 61.69 60.19 2jwx s THR 143 Cb -0.11 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 2jwx s THR 143 CO 0.10 -0.17 0.77 -0.22 -0.69 0.00 0.00 174.62 174.42 2jwx s LEU 144 N 1.08 4.12 0.00 4.42 0.20 -1.02 -0.63 118.68 126.86 2jwx s LEU 144 Ca -0.04 1.01 0.00 0.00 0.69 0.00 0.00 54.13 55.79 2jwx s LEU 144 Cb -0.20 -3.12 0.00 0.00 -0.43 0.00 0.00 46.19 42.45 2jwx s LEU 144 CO -0.06 -0.42 0.00 2.29 -0.29 0.00 0.00 176.35 177.87 2jwx n LYS 145 N 5.53 1.34 -3.72 1.98 2.85 -1.03 -0.34 118.16 124.77 2jwx n LYS 145 Ca 0.03 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.16 2jwx n LYS 145 Cb 0.48 -0.96 -0.10 0.00 -0.65 0.00 0.00 35.03 33.81 2jwx n LYS 145 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2jwx s THR 146 N -1.86 0.00 -0.20 0.58 2.01 -1.24 -4.88 115.64 110.06 2jwx s THR 146 Ca 0.00 -0.03 -0.08 0.00 0.31 0.00 0.00 61.69 61.89 2jwx s THR 146 Cb 0.00 -0.63 0.08 0.00 0.01 0.00 0.00 72.50 71.97 2jwx s THR 146 CO 0.00 -0.01 0.44 0.00 -0.69 0.00 0.00 174.62 174.35 2jwx s ALA 147 N 0.12 -1.19 -0.05 7.40 0.00 -1.23 -1.92 121.76 124.89 2jwx s ALA 147 Ca -0.01 1.58 -0.11 0.00 0.00 0.00 0.00 51.96 53.43 2jwx s ALA 147 Cb -0.03 -1.23 0.02 0.00 0.00 0.00 0.00 23.12 21.88 2jwx s ALA 147 CO 0.01 -0.60 0.25 0.08 0.00 0.00 0.00 175.76 175.50 2jwx s VAL 148 N 2.22 0.04 0.04 0.00 1.01 -0.37 -4.72 120.40 118.62 2jwx s VAL 148 Ca -0.05 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 2jwx s VAL 148 Cb -0.11 -0.47 -0.07 0.00 0.00 0.00 0.00 36.38 35.73 2jwx s VAL 148 CO -0.13 -0.18 1.59 -0.62 0.00 0.00 0.00 175.10 175.76 2jwx s ASP 149 N -0.71 6.67 0.00 3.32 2.15 -1.26 0.43 116.67 127.26 2jwx s ASP 149 Ca -0.08 2.37 0.00 0.00 0.43 0.00 0.00 52.55 55.26 2jwx s ASP 149 Cb -0.04 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2jwx s ASP 149 CO 0.02 -0.85 0.50 -0.11 -0.17 0.00 0.00 175.17 174.55 2jwx n LEU 150 N 5.73 0.00 0.00 -1.34 7.94 -1.22 -4.86 117.00 123.26 2jwx n LEU 150 Ca 0.15 -0.75 0.00 0.00 -1.11 0.00 0.00 56.01 54.31 2jwx n LEU 150 Cb 0.42 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.37 2jwx n LEU 150 CO 0.62 0.57 0.09 1.21 -1.11 0.00 0.00 177.39 178.77 2jwx n GLU 151 N 0.00 0.00 -2.84 1.96 2.13 -0.63 -4.96 120.64 116.30 2jwx n GLU 151 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 2jwx n GLU 151 Cb 0.55 -0.60 0.00 0.00 0.27 0.00 0.00 31.44 31.66 2jwx n GLU 151 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2jwx n HIS 152 N -0.24 -3.07 0.21 4.31 8.25 -1.26 -4.81 115.22 118.61 2jwx n HIS 152 Ca 0.00 1.35 0.17 0.00 -0.26 0.00 0.00 57.72 58.98 2jwx n HIS 152 Cb 0.00 -3.31 0.83 0.00 1.12 0.00 0.00 29.99 28.63 2jwx n HIS 152 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2jwx h HIS 153 N 3.15 0.00 0.00 4.41 3.86 -2.01 -3.40 115.15 121.16 2jwx h HIS 153 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2jwx h HIS 153 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 2jwx h HIS 153 CO 0.01 0.00 0.00 0.72 0.86 0.00 0.00 177.93 179.52 2jwx n HIS 154 N -3.84 -3.91 -3.71 2.45 8.25 -1.26 -5.06 115.22 108.13 2jwx n HIS 154 Ca 0.01 1.17 -0.24 0.00 -0.26 0.00 0.00 57.72 58.40 2jwx n HIS 154 Cb 0.30 2.85 0.03 0.00 1.12 0.00 0.00 29.99 34.28 2jwx n HIS 154 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jwx n HIS 155 N -3.35 -1.90 -3.64 4.41 -0.00 -1.26 -4.99 115.22 104.49 2jwx n HIS 155 Ca 0.00 0.71 -0.08 0.00 -0.00 0.00 0.00 57.72 58.36 2jwx n HIS 155 Cb 0.00 -3.97 -0.07 0.00 -0.00 0.00 0.00 29.99 25.95 2jwx n HIS 155 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jwx s HIS 156 N -3.65 -0.62 0.00 1.57 2.46 -1.26 -5.19 115.29 108.60 2jwx s HIS 156 Ca 0.17 1.39 0.00 0.00 0.47 0.00 0.00 55.06 57.09 2jwx s HIS 156 Cb -0.05 0.38 0.00 0.00 -0.13 0.00 0.00 32.58 32.78 2jwx s HIS 156 CO 0.84 -0.30 0.26 0.72 -2.47 0.00 0.00 174.74 173.79