#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 2.84 -0.28 3.03 0.00 -1.26 -5.05 107.32 106.61 2jwx s GLY 2 Ca 0.00 0.28 -0.08 0.00 0.00 0.00 0.00 44.72 44.91 2jwx s GLY 2 CO 0.00 0.82 0.59 1.62 0.00 0.00 0.00 173.10 176.13 2jwx s GLN 3 N -0.94 0.52 0.31 2.90 2.00 -1.26 -5.14 119.66 118.04 2jwx s GLN 3 Ca 0.35 1.30 -0.29 0.00 -2.00 0.00 0.00 55.36 54.71 2jwx s GLN 3 Cb -0.22 0.70 -0.11 0.00 0.80 0.00 0.00 33.01 34.18 2jwx s GLN 3 CO 0.24 -0.26 1.53 -2.14 -0.50 0.00 0.00 175.29 174.16 2jwx s PRO 4 N 2.83 4.15 0.33 1.67 0.02 -1.26 -4.96 135.00 137.78 2jwx s PRO 4 Ca -0.02 2.52 -0.29 0.00 0.02 0.00 0.00 61.00 63.23 2jwx s PRO 4 Cb -0.12 -3.03 -0.11 0.00 0.02 0.00 0.00 34.50 31.26 2jwx s PRO 4 CO -0.18 -0.56 1.49 -1.25 -0.33 0.00 0.00 177.00 176.18 2jwx s PRO 5 N -0.90 4.17 0.67 5.54 0.04 -1.26 -5.01 135.00 138.25 2jwx s PRO 5 Ca 0.60 2.49 -0.10 0.00 0.04 0.00 0.00 61.00 64.03 2jwx s PRO 5 Cb -0.46 -3.02 0.01 0.00 0.04 0.00 0.00 34.50 31.07 2jwx s PRO 5 CO 0.51 -0.51 1.05 0.00 0.04 0.00 0.00 177.00 178.09 2jwx s ALA 6 N -0.61 3.00 -0.28 8.56 0.00 -1.26 -4.97 121.76 126.20 2jwx s ALA 6 Ca 0.57 -0.39 0.27 0.00 0.00 0.00 0.00 51.96 52.40 2jwx s ALA 6 Cb -0.45 -2.94 0.77 0.00 0.00 0.00 0.00 23.12 20.50 2jwx s ALA 6 CO 0.54 -1.01 1.76 0.93 0.00 0.00 0.00 175.76 177.98 2jwx h GLU 7 N -0.51 0.00 -3.07 0.00 5.08 -2.07 -3.46 114.58 110.55 2jwx h GLU 7 Ca -0.45 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.51 2jwx h GLU 7 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2jwx h GLU 7 CO 0.63 0.00 -0.53 0.39 -1.00 0.00 0.00 179.01 178.50 2jwx n GLU 8 N -2.97 -2.05 -3.87 2.33 1.02 -1.26 -4.98 120.64 108.86 2jwx n GLU 8 Ca 0.03 0.96 -0.21 0.00 -0.02 0.00 0.00 57.16 57.92 2jwx n GLU 8 Cb 0.43 -5.61 -0.03 0.00 -0.02 0.00 0.00 31.44 26.22 2jwx n GLU 8 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jwx s ALA 9 N -3.03 3.89 0.00 0.62 0.00 -1.26 -4.56 121.76 117.43 2jwx s ALA 9 Ca 0.04 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.59 2jwx s ALA 9 Cb -0.02 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.61 2jwx s ALA 9 CO 0.05 0.14 0.00 0.39 0.00 0.00 0.00 175.76 176.34 2jwx n GLU 10 N -1.39 0.00 -0.13 0.00 4.71 -1.26 -4.26 120.64 118.30 2jwx n GLU 10 Ca -0.05 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.00 2jwx n GLU 10 Cb 0.58 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.97 2jwx n GLU 10 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 2jwx h GLN 11 N 0.00 -0.31 -1.11 3.49 1.08 -1.84 0.38 115.11 116.81 2jwx h GLN 11 Ca 0.00 0.02 -0.51 0.00 -1.45 0.00 0.00 58.65 56.71 2jwx h GLN 11 Cb 0.00 0.07 -0.24 0.00 -0.05 0.00 0.00 27.48 27.26 2jwx h GLN 11 CO 0.00 -0.21 0.66 -0.35 -0.95 0.00 0.00 178.83 177.98 2jwx n PRO 12 N -5.41 2.26 0.20 1.46 -0.04 -1.26 -4.59 135.00 127.61 2jwx n PRO 12 Ca -0.00 -2.62 0.00 0.00 -0.04 0.00 0.00 63.50 60.84 2jwx n PRO 12 Cb 0.35 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 2jwx n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jwx n GLY 13 N -0.62 -1.65 3.86 0.55 0.00 -0.64 -4.99 105.19 101.71 2jwx n GLY 13 Ca 0.51 0.34 -0.31 0.00 0.00 0.00 0.00 46.02 46.56 2jwx n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwx s ALA 14 N -2.00 3.22 -0.06 4.61 0.00 0.13 -4.96 121.76 122.70 2jwx s ALA 14 Ca 0.00 -0.07 0.25 0.00 0.00 0.00 0.00 51.96 52.14 2jwx s ALA 14 Cb 0.00 -2.89 0.75 0.00 0.00 0.00 0.00 23.12 20.98 2jwx s ALA 14 CO 0.00 -0.19 1.75 -0.07 0.00 0.00 0.00 175.76 177.25 2jwx h LEU 15 N 0.89 0.00 -8.17 0.00 3.38 -1.95 -3.39 115.31 106.08 2jwx h LEU 15 Ca -0.47 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.91 2jwx h LEU 15 Cb 1.19 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.84 2jwx h LEU 15 CO 0.63 0.16 1.30 0.00 0.09 0.00 0.00 178.44 180.62 2jwx s ALA 16 N -3.44 2.79 -0.26 1.53 0.00 -1.26 -4.78 121.76 116.34 2jwx s ALA 16 Ca 0.03 -2.05 0.19 0.00 0.00 0.00 0.00 51.96 50.13 2jwx s ALA 16 Cb 0.08 -4.40 0.12 0.00 0.00 0.00 0.00 23.12 18.93 2jwx s ALA 16 CO 0.64 -3.45 1.36 0.00 0.00 0.00 0.00 175.76 174.31 2jwx h ARG 17 N 9.78 0.00 0.00 0.00 2.47 -1.87 -3.42 114.38 121.34 2jwx h ARG 17 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2jwx h ARG 17 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 2jwx h ARG 17 CO 1.36 0.23 0.00 -0.85 0.56 0.00 0.00 179.97 181.27 2jwx n GLU 18 N -3.06 0.00 -3.59 0.04 0.28 -1.26 -4.78 120.64 108.26 2jwx n GLU 18 Ca 0.01 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.78 2jwx n GLU 18 Cb 0.65 0.00 0.04 0.00 1.43 0.00 0.00 31.44 33.57 2jwx n GLU 18 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2jwx n PHE 19 N 1.15 -2.03 -3.18 -1.84 3.72 0.18 -4.86 117.46 110.61 2jwx n PHE 19 Ca 0.00 0.73 -0.45 0.00 -0.05 0.00 0.00 57.45 57.68 2jwx n PHE 19 Cb 0.00 -4.07 -0.01 0.00 -0.94 0.00 0.00 39.48 34.46 2jwx n PHE 19 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2jwx s LEU 20 N -6.34 6.00 0.28 4.37 1.43 -1.02 -4.86 118.68 118.54 2jwx s LEU 20 Ca 0.24 -2.79 -0.12 0.00 -1.03 0.00 0.00 54.13 50.43 2jwx s LEU 20 Cb -0.06 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.88 2jwx s LEU 20 CO 0.81 -0.65 0.52 0.00 0.23 0.00 0.00 176.35 177.26 2jwx s ALA 21 N 0.66 -0.19 -1.65 4.21 0.00 -1.26 -4.51 121.76 119.03 2jwx s ALA 21 Ca 0.28 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.34 2jwx s ALA 21 Cb -0.08 1.04 0.11 0.00 0.00 0.00 0.00 23.12 24.19 2jwx s ALA 21 CO -0.08 -0.87 0.96 0.00 0.00 0.00 0.00 175.76 175.78 2jwx n ALA 22 N -0.43 2.56 -2.77 0.00 0.00 -1.26 -4.77 120.51 113.84 2jwx n ALA 22 Ca -0.02 -0.24 -0.16 0.00 0.00 0.00 0.00 53.44 53.02 2jwx n ALA 22 Cb 0.61 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.94 2jwx n ALA 22 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jwx s MET 23 N -1.66 0.64 -0.23 0.00 -1.94 -1.26 -5.06 119.30 109.80 2jwx s MET 23 Ca 0.08 -0.66 -0.06 0.00 -1.71 0.00 0.00 55.69 53.34 2jwx s MET 23 Cb 0.05 -0.54 -0.18 0.00 2.01 0.00 0.00 34.83 36.16 2jwx s MET 23 CO 0.04 0.12 -0.07 -1.91 -0.01 0.00 0.00 175.02 173.19 2jwx n GLU 24 N 1.86 0.65 -1.12 2.03 2.13 -1.26 -4.62 120.64 120.32 2jwx n GLU 24 Ca -0.19 0.24 -0.41 0.00 0.66 0.00 0.00 57.16 57.46 2jwx n GLU 24 Cb 0.55 -1.58 -0.05 0.00 0.27 0.00 0.00 31.44 30.63 2jwx n GLU 24 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2jwx n PRO 25 N -3.64 1.60 -1.62 5.31 -0.02 -1.26 -4.94 135.00 130.43 2jwx n PRO 25 Ca -0.43 -1.82 -0.31 0.00 -2.02 0.00 0.00 63.50 58.92 2jwx n PRO 25 Cb 0.95 -2.88 0.05 0.00 -0.02 0.00 0.00 33.50 31.61 2jwx n PRO 25 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2jwx s GLU 26 N 4.77 2.89 0.99 -0.52 0.41 -1.26 -5.07 118.70 120.91 2jwx s GLU 26 Ca 0.55 0.86 -0.16 0.00 -0.41 0.00 0.00 54.97 55.81 2jwx s GLU 26 Cb 0.14 -1.99 0.20 0.00 -1.78 0.00 0.00 34.13 30.69 2jwx s GLU 26 CO 0.10 -1.11 1.22 -2.14 -0.49 0.00 0.00 175.26 172.84 2jwx s PRO 27 N -5.09 0.43 -0.11 0.39 0.02 -1.26 -5.05 135.00 124.33 2jwx s PRO 27 Ca 0.58 -0.15 -0.20 0.00 0.02 0.00 0.00 61.00 61.25 2jwx s PRO 27 Cb -0.14 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 2jwx s PRO 27 CO 0.55 -2.60 0.58 0.00 -0.33 0.00 0.00 177.00 175.20 2jwx s ALA 28 N -3.54 3.43 0.71 -1.55 0.00 -1.26 -5.06 121.76 114.49 2jwx s ALA 28 Ca 0.70 -0.08 -0.16 0.00 0.00 0.00 0.00 51.96 52.42 2jwx s ALA 28 Cb -0.08 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.24 2jwx s ALA 28 CO 0.53 -0.11 0.99 -0.35 0.00 0.00 0.00 175.76 176.82 2jwx n PRO 29 N 3.89 0.57 -3.61 0.00 -0.04 -1.26 -4.99 135.00 129.56 2jwx n PRO 29 Ca -0.04 0.25 -0.29 0.00 -0.04 0.00 0.00 63.50 63.38 2jwx n PRO 29 Cb 0.51 -2.23 -0.09 0.00 -0.04 0.00 0.00 33.50 31.65 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 -2.43 3.85 -0.14 0.55 0.00 -1.26 -4.92 120.51 116.16 2jwx n ALA 30 Ca 0.13 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.90 2jwx n ALA 30 Cb 0.49 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 1.42 0.29 -3.22 0.00 -0.04 -1.26 -4.72 135.00 127.47 2jwx n PRO 31 Ca 0.25 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.30 2jwx n PRO 31 Cb 0.38 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 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 1.42 3.49 -0.65 0.55 0.00 -1.26 -5.00 121.76 120.31 2jwx s ALA 32 Ca 0.00 -0.95 -0.26 0.00 0.00 0.00 0.00 51.96 50.75 2jwx s ALA 32 Cb 0.00 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 2jwx s ALA 32 CO 0.00 -1.18 1.95 -1.25 0.00 0.00 0.00 175.76 175.27 2jwx s PRO 33 N 2.43 2.53 0.00 0.00 0.04 -1.26 -4.17 135.00 134.57 2jwx s PRO 33 Ca 0.20 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.79 2jwx s PRO 33 Cb -0.15 -4.53 0.00 0.00 0.04 0.00 0.00 34.50 29.86 2jwx s PRO 33 CO 0.13 -2.94 0.00 0.39 0.04 0.00 0.00 177.00 174.62 2jwx n GLU 34 N 9.11 0.00 -0.15 4.56 1.02 -1.26 -4.79 120.64 129.13 2jwx n GLU 34 Ca 0.26 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.42 2jwx n GLU 34 Cb 0.51 -3.28 0.08 0.00 -0.02 0.00 0.00 31.44 28.73 2jwx n GLU 34 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2jwx n GLU 35 N -2.00 1.64 -1.64 3.49 0.28 -1.26 -4.98 120.64 116.17 2jwx n GLU 35 Ca 0.00 -0.63 0.00 0.00 -0.16 0.00 0.00 57.16 56.37 2jwx n GLU 35 Cb 0.00 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.43 2jwx n GLU 35 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 2jwx n TRP 36 N 0.06 -3.93 -4.12 -1.84 7.02 -1.26 -4.96 117.44 108.41 2jwx n TRP 36 Ca 0.06 2.09 -0.35 0.00 -1.02 0.00 0.00 57.50 58.27 2jwx n TRP 36 Cb 0.32 -3.15 -0.13 0.00 -2.42 0.00 0.00 31.31 25.93 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 -3.24 3.13 -0.77 -0.99 2.96 -0.32 -4.91 118.68 114.55 2jwx s LEU 37 Ca 0.00 -0.25 -0.25 0.00 -0.22 0.00 0.00 54.13 53.41 2jwx s LEU 37 Cb 0.00 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 2jwx s LEU 37 CO 0.00 0.06 1.86 -1.81 -1.32 0.00 0.00 176.35 175.14 2jwx s ASP 38 N 1.00 5.30 0.12 3.68 1.11 -1.26 -1.23 116.67 125.39 2jwx s ASP 38 Ca 0.01 -0.23 -0.25 0.00 0.18 0.00 0.00 52.55 52.26 2jwx s ASP 38 Cb -0.14 -2.55 -0.06 0.00 1.07 0.00 0.00 42.92 41.24 2jwx s ASP 38 CO 0.01 -2.48 1.65 0.40 1.18 0.00 0.00 175.17 175.93 2jwx h ILE 39 N 7.01 0.51 -0.02 0.77 2.04 -1.01 -2.60 117.51 124.21 2jwx h ILE 39 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2jwx h ILE 39 Cb 1.08 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2jwx h ILE 39 CO 1.23 0.00 -0.08 -0.11 0.00 0.00 0.00 178.15 179.19 2jwx n LEU 40 N -5.34 2.59 -1.31 1.44 7.94 -1.24 -4.89 117.00 116.19 2jwx n LEU 40 Ca -0.05 -0.95 -0.17 0.00 -1.11 0.00 0.00 56.01 53.72 2jwx n LEU 40 Cb 0.25 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.13 2jwx n LEU 40 CO 0.24 0.45 -0.16 0.61 -1.11 0.00 0.00 177.39 177.41 2jwx n GLY 41 N 1.21 1.68 0.09 -3.96 0.00 -0.98 -4.82 105.19 98.41 2jwx n GLY 41 Ca 0.12 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.90 0.64 0.00 1.61 6.94 -1.26 -4.95 115.26 117.34 2jwx n ASN 42 Ca -0.17 0.25 0.00 0.00 -0.02 0.00 0.00 54.58 54.64 2jwx n ASN 42 Cb 0.58 0.78 0.00 0.00 -2.36 0.00 0.00 39.78 38.78 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 2.86 0.10 4.83 0.00 -1.26 -4.72 105.19 108.23 2jwx n GLY 43 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 2jwx n GLY 43 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jwx h LEU 44 N 0.00 0.00 -7.63 0.99 4.07 -1.92 -3.43 115.31 107.39 2jwx h LEU 44 Ca 0.00 -0.12 -0.63 0.00 0.08 0.00 0.00 57.88 57.21 2jwx h LEU 44 Cb 0.00 0.00 -0.39 0.00 1.08 0.00 0.00 40.66 41.35 2jwx h LEU 44 CO 0.00 0.06 -0.77 -0.22 -1.08 0.00 0.00 178.44 176.43 2jwx s LEU 45 N -4.73 3.30 0.01 1.67 1.98 -1.23 -1.55 118.68 118.13 2jwx s LEU 45 Ca 0.05 -1.55 0.01 0.00 -2.89 0.00 0.00 54.13 49.76 2jwx s LEU 45 Cb 0.11 -1.33 -0.01 0.00 0.66 0.00 0.00 46.19 45.62 2jwx s LEU 45 CO 0.72 -0.29 -0.05 -0.13 -1.89 0.00 0.00 176.35 174.70 2jwx s ARG 46 N 1.23 0.39 -0.05 1.98 0.52 0.67 -0.30 118.95 123.39 2jwx s ARG 46 Ca 0.00 -0.35 0.05 0.00 -0.52 0.00 0.00 55.73 54.91 2jwx s ARG 46 Cb -0.19 -0.28 -0.02 0.00 0.52 0.00 0.00 34.95 34.98 2jwx s ARG 46 CO -0.09 0.07 -0.20 0.21 0.02 0.00 0.00 175.30 175.31 2jwx s LYS 47 N -0.61 2.49 -0.13 3.54 2.20 -0.37 -0.32 119.74 126.53 2jwx s LYS 47 Ca -0.03 -0.81 0.02 0.00 -0.36 0.00 0.00 55.97 54.79 2jwx s LYS 47 Cb -0.05 -2.25 -0.00 0.00 -1.51 0.00 0.00 37.83 34.02 2jwx s LYS 47 CO -0.00 0.51 -0.19 0.21 -0.36 0.00 0.00 175.35 175.52 2jwx s LYS 48 N -0.46 3.16 -0.91 4.03 2.20 0.78 -1.18 119.74 127.36 2jwx s LYS 48 Ca 0.05 -0.80 -0.24 0.00 -0.36 0.00 0.00 55.97 54.62 2jwx s LYS 48 Cb -0.12 -2.50 0.03 0.00 -1.51 0.00 0.00 37.83 33.74 2jwx s LYS 48 CO 0.01 0.08 1.46 0.95 -0.36 0.00 0.00 175.35 177.50 2jwx s THR 49 N 0.62 3.80 0.08 3.43 -4.23 -1.26 -0.95 115.64 117.12 2jwx s THR 49 Ca -0.10 -0.36 -0.19 0.00 -1.18 0.00 0.00 61.69 59.87 2jwx s THR 49 Cb -0.16 -4.88 -0.10 0.00 1.34 0.00 0.00 72.50 68.70 2jwx s THR 49 CO 0.03 -1.78 1.48 -0.07 -0.54 0.00 0.00 174.62 173.73 2jwx h LEU 50 N 13.47 0.43 -7.56 4.79 3.38 -1.73 -3.42 115.31 124.67 2jwx h LEU 50 Ca 0.04 -0.35 -0.42 0.00 0.09 0.00 0.00 57.88 57.23 2jwx h LEU 50 Cb 1.03 -0.12 -0.37 0.00 0.09 0.00 0.00 40.66 41.29 2jwx h LEU 50 CO 1.36 0.69 -0.77 -0.69 0.09 0.00 0.00 178.44 179.12 2jwx s VAL 51 N -4.80 0.40 -0.08 1.22 1.01 -0.55 -5.01 120.40 112.59 2jwx s VAL 51 Ca -0.14 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 2jwx s VAL 51 Cb 0.07 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 2jwx s VAL 51 CO 0.75 0.24 0.14 -2.16 0.00 0.00 0.00 175.10 174.07 2jwx s PRO 52 N 1.62 3.38 0.89 2.72 0.04 -1.26 -0.25 135.00 142.14 2jwx s PRO 52 Ca -0.00 -0.22 -0.11 0.00 0.04 0.00 0.00 61.00 60.71 2jwx s PRO 52 Cb -0.13 -3.12 0.13 0.00 0.04 0.00 0.00 34.50 31.43 2jwx s PRO 52 CO -0.04 0.74 1.11 0.20 0.04 0.00 0.00 177.00 179.05 2jwx s GLY 53 N -1.30 1.66 1.01 0.56 0.00 -1.26 -4.79 107.32 103.20 2jwx s GLY 53 Ca 0.19 0.32 -0.15 0.00 0.00 0.00 0.00 44.72 45.07 2jwx s GLY 53 CO 0.08 0.75 0.18 -1.05 0.00 0.00 0.00 173.10 173.06 2jwx n PRO 54 N -4.04 -0.73 -0.25 2.90 -0.02 -1.26 -4.82 135.00 126.78 2jwx n PRO 54 Ca 0.09 -0.18 0.33 0.00 -2.02 0.00 0.00 63.50 61.72 2jwx n PRO 54 Cb 0.53 -1.75 0.71 0.00 -0.02 0.00 0.00 33.50 32.98 2jwx n PRO 54 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2jwx h PRO 55 N -1.70 0.00 0.00 0.52 0.13 -1.99 -3.00 132.00 125.96 2jwx h PRO 55 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2jwx h PRO 55 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2jwx h PRO 55 CO 0.35 0.00 -0.98 0.41 -0.23 0.00 0.00 178.00 177.55 2jwx n GLY 56 N -1.72 0.00 6.63 1.56 0.00 -1.26 -4.57 105.19 105.83 2jwx n GLY 56 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2jwx n GLY 56 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jwx n SER 57 N -2.70 0.00 -3.64 1.61 7.64 -1.13 -3.92 113.62 111.48 2jwx n SER 57 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 2jwx n SER 57 Cb 0.49 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.62 2jwx n SER 57 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jwx s SER 58 N -4.00 -0.94 -0.70 6.43 0.01 -1.26 0.51 113.70 113.75 2jwx s SER 58 Ca 0.00 1.51 -0.02 0.00 1.31 0.00 0.00 55.95 58.75 2jwx s SER 58 Cb 0.00 1.39 0.18 0.00 0.21 0.00 0.00 66.02 67.80 2jwx s SER 58 CO 0.00 -0.24 0.53 -0.13 0.41 0.00 0.00 173.24 173.81 2jwx s ARG 59 N 1.59 2.73 0.30 12.44 1.81 -1.25 -1.55 118.95 135.03 2jwx s ARG 59 Ca -0.10 -2.79 -0.29 0.00 -1.72 0.00 0.00 55.73 50.83 2jwx s ARG 59 Cb -0.05 -3.76 -0.10 0.00 -0.45 0.00 0.00 34.95 30.59 2jwx s ARG 59 CO -0.19 -1.20 1.35 -1.25 -0.68 0.00 0.00 175.30 173.32 2jwx s PRO 60 N -0.51 4.32 0.24 3.54 0.04 -1.26 -4.80 135.00 136.57 2jwx s PRO 60 Ca 0.20 2.24 -0.08 0.00 0.04 0.00 0.00 61.00 63.40 2jwx s PRO 60 Cb -0.16 -3.09 -0.07 0.00 0.04 0.00 0.00 34.50 31.23 2jwx s PRO 60 CO -0.06 -0.27 0.54 0.14 0.04 0.00 0.00 177.00 177.39 2jwx s VAL 61 N -0.74 4.97 -0.67 -0.36 -7.23 -1.26 -4.24 120.40 110.87 2jwx s VAL 61 Ca 0.52 0.34 -0.34 0.00 -1.81 0.00 0.00 61.98 60.70 2jwx s VAL 61 Cb -0.40 -3.65 -0.17 0.00 0.56 0.00 0.00 36.38 32.72 2jwx s VAL 61 CO 0.50 -0.13 2.42 0.29 -0.31 0.00 0.00 175.10 177.87 2jwx n LYS 62 N -0.33 0.38 0.00 4.82 4.01 -1.26 -0.62 118.16 125.16 2jwx n LYS 62 Ca -0.00 0.06 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 2jwx n LYS 62 Cb 0.53 -2.00 0.00 0.00 -0.51 0.00 0.00 35.03 33.05 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 6.66 0.78 3.64 0.72 0.00 0.21 -4.90 105.19 112.32 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 4.12 -0.21 1.61 -1.52 0.21 -2.10 119.66 121.77 2jwx s GLN 64 Ca 0.00 0.26 -0.29 0.00 -1.95 0.00 0.00 55.36 53.38 2jwx s GLN 64 Cb 0.00 -3.60 -0.03 0.00 -0.22 0.00 0.00 33.01 29.17 2jwx s GLN 64 CO 0.00 -0.19 1.60 0.54 -0.25 0.00 0.00 175.29 176.98 2jwx s VAL 65 N 1.80 3.72 -0.10 1.09 0.11 0.25 -2.51 120.40 124.76 2jwx s VAL 65 Ca 0.20 0.82 0.01 0.00 -2.93 0.00 0.00 61.98 60.09 2jwx s VAL 65 Cb -0.15 -3.71 -0.02 0.00 -1.53 0.00 0.00 36.38 30.97 2jwx s VAL 65 CO 0.09 -0.28 -0.14 0.68 -3.33 0.00 0.00 175.10 172.13 2jwx s VAL 66 N 5.02 3.05 -0.41 2.04 -7.23 -0.96 -2.30 120.40 119.60 2jwx s VAL 66 Ca 0.70 -0.69 -0.21 0.00 -1.81 0.00 0.00 61.98 59.98 2jwx s VAL 66 Cb -0.25 -2.25 0.02 0.00 0.56 0.00 0.00 36.38 34.46 2jwx s VAL 66 CO 0.28 0.55 0.67 0.42 -0.31 0.00 0.00 175.10 176.71 2jwx s THR 67 N -0.05 4.82 -0.15 5.32 -4.23 -0.84 -2.30 115.64 118.20 2jwx s THR 67 Ca -0.03 0.32 0.02 0.00 -1.18 0.00 0.00 61.69 60.82 2jwx s THR 67 Cb -0.14 -4.19 0.00 0.00 1.34 0.00 0.00 72.50 69.52 2jwx s THR 67 CO 0.04 -0.53 -0.19 0.68 -0.54 0.00 0.00 174.62 174.08 2jwx s VAL 68 N 2.87 2.33 -0.42 2.29 -7.23 0.65 -2.30 120.40 118.59 2jwx s VAL 68 Ca 0.24 -0.89 -0.27 0.00 -1.81 0.00 0.00 61.98 59.26 2jwx s VAL 68 Cb -0.14 -1.96 0.02 0.00 0.56 0.00 0.00 36.38 34.87 2jwx s VAL 68 CO 0.18 0.53 1.00 -2.28 -0.31 0.00 0.00 175.10 174.23 2jwx s HIS 69 N 0.80 2.98 -0.11 2.82 2.46 0.77 0.47 115.29 125.48 2jwx s HIS 69 Ca -0.07 0.71 0.03 0.00 0.47 0.00 0.00 55.06 56.21 2jwx s HIS 69 Cb -0.15 -3.95 0.01 0.00 -0.13 0.00 0.00 32.58 28.35 2jwx s HIS 69 CO -0.01 -1.01 -0.21 -1.17 -2.47 0.00 0.00 174.74 169.87 2jwx s LEU 70 N 3.84 2.00 -0.23 8.88 0.20 -0.12 0.03 118.68 133.27 2jwx s LEU 70 Ca 0.42 -0.52 -0.00 0.00 0.69 0.00 0.00 54.13 54.71 2jwx s LEU 70 Cb -0.10 -1.31 0.06 0.00 -0.43 0.00 0.00 46.19 44.41 2jwx s LEU 70 CO 0.24 0.11 -0.02 -1.10 -0.29 0.00 0.00 176.35 175.29 2jwx s GLN 71 N 0.57 1.34 0.01 1.98 1.11 -0.88 0.73 119.66 124.53 2jwx s GLN 71 Ca -0.14 -0.89 -0.22 0.00 0.01 0.00 0.00 55.36 54.11 2jwx s GLN 71 Cb -0.17 -2.46 -0.05 0.00 -1.01 0.00 0.00 33.01 29.32 2jwx s GLN 71 CO 0.04 -0.64 0.66 0.99 0.01 0.00 0.00 175.29 176.36 2jwx s THR 72 N 1.50 4.85 0.07 -0.19 2.01 -0.85 -2.52 115.64 120.51 2jwx s THR 72 Ca -0.03 1.40 0.07 0.00 0.31 0.00 0.00 61.69 63.44 2jwx s THR 72 Cb -0.18 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 2jwx s THR 72 CO -0.08 0.39 -0.16 -0.44 -0.69 0.00 0.00 174.62 173.64 2jwx s SER 73 N -0.09 3.99 0.96 3.53 0.01 0.27 -0.05 113.70 122.32 2jwx s SER 73 Ca 0.34 -0.44 -0.12 0.00 1.31 0.00 0.00 55.95 57.04 2jwx s SER 73 Cb -0.19 -0.66 0.17 0.00 0.21 0.00 0.00 66.02 65.54 2jwx s SER 73 CO 0.19 0.22 1.09 -0.22 0.41 0.00 0.00 173.24 174.93 2jwx s LEU 74 N -1.78 1.95 0.62 2.44 1.98 0.25 -0.12 118.68 124.02 2jwx s LEU 74 Ca 0.17 1.51 0.38 0.00 -2.89 0.00 0.00 54.13 53.29 2jwx s LEU 74 Cb -0.11 -3.79 2.08 0.00 0.66 0.00 0.00 46.19 45.03 2jwx s LEU 74 CO 0.08 -3.05 2.28 1.05 -1.89 0.00 0.00 176.35 174.83 2jwx h GLU 75 N -1.83 0.00 -0.20 1.98 4.11 -1.58 0.37 114.58 117.43 2jwx h GLU 75 Ca -0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.91 2jwx h GLU 75 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2jwx h GLU 75 CO 0.53 0.01 0.00 0.09 0.07 0.00 0.00 179.01 179.71 2jwx n ASN 76 N -3.38 1.56 0.00 3.06 3.02 -1.26 -4.91 115.26 113.35 2jwx n ASN 76 Ca -0.03 -1.77 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 2jwx n ASN 76 Cb 0.11 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 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 1.07 3.20 3.59 7.41 0.00 0.13 -5.01 105.19 115.58 2jwx n GLY 77 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.60 3.64 -0.26 2.61 2.01 -1.25 -4.39 115.64 115.41 2jwx s THR 78 Ca 0.00 0.63 -0.29 0.00 0.31 0.00 0.00 61.69 62.33 2jwx s THR 78 Cb 0.00 -3.95 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 2jwx s THR 78 CO 0.00 -0.65 2.23 -1.14 -0.69 0.00 0.00 174.62 174.36 2jwx n ARG 79 N 8.40 1.75 -0.00 4.92 3.00 -1.26 0.85 116.66 134.31 2jwx n ARG 79 Ca 0.19 0.47 0.10 0.00 -0.00 0.00 0.00 57.85 58.61 2jwx n ARG 79 Cb 0.48 -3.08 -0.12 0.00 0.00 0.00 0.00 32.46 29.73 2jwx n ARG 79 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2jwx n VAL 80 N 7.66 0.00 -3.58 5.15 0.24 0.92 -4.93 118.33 123.79 2jwx n VAL 80 Ca 0.33 -0.13 -0.12 0.00 -2.04 0.00 0.00 64.34 62.38 2jwx n VAL 80 Cb 0.40 0.78 -0.05 0.00 -1.47 0.00 0.00 33.84 33.51 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 -3.02 1.07 -0.11 7.34 1.03 -1.14 -4.70 119.66 120.13 2jwx s GLN 81 Ca 0.04 -0.49 -0.04 0.00 0.04 0.00 0.00 55.36 54.91 2jwx s GLN 81 Cb 0.15 0.48 0.06 0.00 0.03 0.00 0.00 33.01 33.73 2jwx s GLN 81 CO 0.83 -0.42 0.19 -2.00 -2.54 0.00 0.00 175.29 171.36 2jwx s GLU 82 N -3.24 0.08 -0.35 9.60 2.12 -1.26 -2.00 118.70 123.65 2jwx s GLU 82 Ca -0.01 0.56 0.03 0.00 0.36 0.00 0.00 54.97 55.92 2jwx s GLU 82 Cb 0.00 -0.34 0.10 0.00 0.26 0.00 0.00 34.13 34.15 2jwx s GLU 82 CO -0.08 -0.35 0.08 -1.21 -0.54 0.00 0.00 175.26 173.16 2jwx s GLU 83 N 2.33 1.43 0.15 4.30 2.02 0.22 -4.98 118.70 124.18 2jwx s GLU 83 Ca 0.03 -1.86 0.14 0.00 0.02 0.00 0.00 54.97 53.30 2jwx s GLU 83 Cb -0.13 -3.07 0.66 0.00 0.10 0.00 0.00 34.13 31.70 2jwx s GLU 83 CO -0.07 -0.96 1.42 -2.30 0.02 0.00 0.00 175.26 173.36 2jwx n PRO 84 N 4.21 0.08 -3.15 0.39 -0.02 -1.26 -0.95 135.00 134.30 2jwx n PRO 84 Ca 0.03 0.49 0.05 0.00 -2.02 0.00 0.00 63.50 62.06 2jwx n PRO 84 Cb 0.41 -1.72 -0.00 0.00 -0.02 0.00 0.00 33.50 32.17 2jwx n PRO 84 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2jwx s GLU 85 N -3.24 0.30 -0.40 -0.52 -1.05 -1.26 -4.20 118.70 108.34 2jwx s GLU 85 Ca 0.01 0.36 -0.17 0.00 -0.15 0.00 0.00 54.97 55.02 2jwx s GLU 85 Cb 0.05 0.18 0.01 0.00 -0.44 0.00 0.00 34.13 33.93 2jwx s GLU 85 CO 0.17 -0.50 0.41 -1.17 0.95 0.00 0.00 175.26 175.12 2jwx s LEU 86 N 2.91 4.74 -0.10 1.83 2.96 0.18 -4.69 118.68 126.50 2jwx s LEU 86 Ca 0.17 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 2jwx s LEU 86 Cb -0.07 -2.37 -0.01 0.00 0.50 0.00 0.00 46.19 44.24 2jwx s LEU 86 CO -0.21 -0.50 -0.17 0.54 -1.32 0.00 0.00 176.35 174.69 2jwx s VAL 87 N 2.09 2.76 0.21 1.68 0.11 -1.23 -0.25 120.40 125.76 2jwx s VAL 87 Ca 0.12 -0.78 -0.20 0.00 -2.93 0.00 0.00 61.98 58.19 2jwx s VAL 87 Cb -0.17 -2.11 0.04 0.00 -1.53 0.00 0.00 36.38 32.60 2jwx s VAL 87 CO 0.13 0.55 0.59 0.72 -3.33 0.00 0.00 175.10 173.75 2jwx s PHE 88 N 0.13 -0.24 -0.56 1.54 -0.71 -0.97 -4.95 117.98 112.23 2jwx s PHE 88 Ca -0.08 -0.10 -0.27 0.00 -1.04 0.00 0.00 56.93 55.43 2jwx s PHE 88 Cb -0.15 0.51 -0.01 0.00 -1.21 0.00 0.00 43.02 42.16 2jwx s PHE 88 CO 0.05 -0.98 1.67 0.99 -1.34 0.00 0.00 175.22 175.61 2jwx s THR 89 N -3.86 3.54 0.16 -4.49 2.01 -1.26 -2.26 115.64 109.48 2jwx s THR 89 Ca 0.08 0.41 -0.34 0.00 0.31 0.00 0.00 61.69 62.15 2jwx s THR 89 Cb -0.02 -4.12 -0.14 0.00 0.01 0.00 0.00 72.50 68.23 2jwx s THR 89 CO -0.03 -0.98 1.58 -0.11 -0.69 0.00 0.00 174.62 174.40 2jwx n LEU 90 N 11.10 3.12 0.00 4.42 7.94 -1.04 -2.07 117.00 140.47 2jwx n LEU 90 Ca 0.17 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.15 2jwx n LEU 90 Cb 0.50 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 43.02 2jwx n LEU 90 CO 0.71 -0.28 0.00 0.61 -1.11 0.00 0.00 177.39 177.32 2jwx n GLY 91 N 3.43 2.12 0.25 -3.96 0.00 -1.12 0.66 105.19 106.57 2jwx n GLY 91 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 0.72 -2.77 1.61 2.03 -0.88 -4.83 116.55 112.43 2jwx n ASP 92 Ca 0.00 -1.81 -0.20 0.00 0.52 0.00 0.00 54.79 53.30 2jwx n ASP 92 Cb 0.00 -0.07 0.03 0.00 -0.72 0.00 0.00 41.12 40.36 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 -1.31 0.00 0.00 0.00 1.82 -1.88 -3.45 116.42 111.60 2jwx h ASP 94 Ca -0.49 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.15 2jwx h ASP 94 Cb 1.33 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.34 2jwx h ASP 94 CO 0.52 0.12 0.00 1.33 -1.61 0.00 0.00 179.24 179.60 2jwx n VAL 95 N -3.30 0.00 -2.77 2.25 0.24 -1.26 -4.94 118.33 108.54 2jwx n VAL 95 Ca -0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.90 2jwx n VAL 95 Cb 0.35 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.66 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 2.14 4.13 0.53 1.34 -4.36 -1.26 -4.92 121.20 118.80 2jwx s ILE 96 Ca 0.00 2.05 0.29 0.00 -0.26 0.00 0.00 60.65 62.74 2jwx s ILE 96 Cb 0.00 -4.31 0.46 0.00 1.25 0.00 0.00 42.46 39.86 2jwx s ILE 96 CO 0.00 0.49 1.91 -0.61 0.24 0.00 0.00 174.94 176.97 2jwx h GLN 97 N 4.28 0.03 -0.48 0.37 5.75 -1.31 0.39 115.11 124.13 2jwx h GLN 97 Ca -0.45 -0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.14 2jwx h GLN 97 Cb 1.20 -0.01 -0.09 0.00 1.07 0.00 0.00 27.48 29.66 2jwx h GLN 97 CO 0.68 0.02 -0.10 0.00 -2.65 0.00 0.00 178.83 176.79 2jwx h ALA 98 N 1.59 0.35 0.03 3.38 0.00 -0.85 -2.66 119.26 121.10 2jwx h ALA 98 Ca 0.39 0.18 -0.24 0.00 0.00 0.00 0.00 54.91 55.24 2jwx h ALA 98 Cb 1.53 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.64 2jwx h ALA 98 CO -0.02 -0.43 -1.19 1.25 0.00 0.00 0.00 179.25 178.86 2jwx h LEU 99 N 0.02 0.10 -0.98 0.00 5.85 -0.51 -2.17 115.31 117.62 2jwx h LEU 99 Ca 0.24 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 2jwx h LEU 99 Cb 0.36 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2jwx h LEU 99 CO -0.48 1.09 -0.43 0.44 -0.34 0.00 0.00 178.44 178.72 2jwx h ASP 100 N 0.02 0.17 0.38 1.25 3.32 -1.19 -2.63 116.42 117.74 2jwx h ASP 100 Ca -0.09 -0.07 -0.31 0.00 0.02 0.00 0.00 57.03 56.58 2jwx h ASP 100 Cb 1.86 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 41.32 2jwx h ASP 100 CO 0.14 0.59 -1.80 0.18 -1.72 0.00 0.00 179.24 176.62 2jwx n LEU 101 N -4.01 1.32 -0.12 1.55 4.77 -1.02 -2.78 117.00 116.71 2jwx n LEU 101 Ca -0.02 0.35 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 2jwx n LEU 101 Cb 0.48 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 2jwx n LEU 101 CO 0.41 0.51 0.59 0.77 -1.33 0.00 0.00 177.39 178.35 2jwx h SER 102 N 0.02 0.91 0.14 -1.43 4.64 -1.07 -2.95 113.55 113.81 2jwx h SER 102 Ca -0.33 -0.45 0.02 0.00 -0.47 0.00 0.00 61.79 60.56 2jwx h SER 102 Cb 2.02 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 63.83 2jwx h SER 102 CO 0.08 1.17 -0.30 0.58 -0.87 0.00 0.00 176.83 177.49 2jwx h VAL 103 N 0.67 0.36 0.00 0.95 2.07 -1.71 0.36 116.25 118.94 2jwx h VAL 103 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 2jwx h VAL 103 Cb 0.88 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2jwx h VAL 103 CO 0.08 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.22 2jwx h PRO 104 N -0.53 0.00 -0.00 1.57 0.13 -1.73 0.35 132.00 131.78 2jwx h PRO 104 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2jwx h PRO 104 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2jwx h PRO 104 CO -0.16 0.00 -0.21 1.28 -0.23 0.00 0.00 178.00 178.68 2jwx n LEU 105 N -2.99 0.39 -4.79 1.56 4.77 -0.48 -4.72 117.00 110.74 2jwx n LEU 105 Ca -0.01 0.12 -0.22 0.00 -0.03 0.00 0.00 56.01 55.87 2jwx n LEU 105 Cb 0.17 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 2jwx n LEU 105 CO 0.22 0.08 -0.20 0.00 -1.33 0.00 0.00 177.39 176.16 2jwx s MET 106 N -2.78 2.79 0.25 3.23 0.23 0.12 -4.84 119.30 118.30 2jwx s MET 106 Ca 0.19 -1.12 -0.01 0.00 -1.03 0.00 0.00 55.69 53.72 2jwx s MET 106 Cb 0.19 -2.48 -0.04 0.00 -1.53 0.00 0.00 34.83 30.96 2jwx s MET 106 CO 0.56 0.40 0.44 -0.51 -2.03 0.00 0.00 175.02 173.88 2jwx s ASP 107 N -3.77 6.37 0.03 -1.18 1.01 -1.26 -4.69 116.67 113.18 2jwx s ASP 107 Ca 0.32 0.43 -0.30 0.00 0.71 0.00 0.00 52.55 53.71 2jwx s ASP 107 Cb -0.08 -2.02 -0.06 0.00 1.01 0.00 0.00 42.92 41.77 2jwx s ASP 107 CO 0.24 -0.12 1.48 -0.69 0.21 0.00 0.00 175.17 176.29 2jwx s VAL 108 N -2.00 3.47 0.00 -1.27 1.01 -0.59 -1.61 120.40 119.41 2jwx s VAL 108 Ca 0.39 0.89 0.00 0.00 0.00 0.00 0.00 61.98 63.26 2jwx s VAL 108 Cb -0.10 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2jwx s VAL 108 CO 0.31 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2jwx n GLY 109 N 3.76 0.54 3.87 4.51 0.00 0.41 -4.44 105.19 113.83 2jwx n GLY 109 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.79 3.72 -0.20 1.61 2.12 -0.63 -4.37 118.70 120.16 2jwx s GLU 110 Ca 0.00 0.63 -0.01 0.00 0.36 0.00 0.00 54.97 55.94 2jwx s GLU 110 Cb 0.00 -2.23 0.06 0.00 0.26 0.00 0.00 34.13 32.22 2jwx s GLU 110 CO 0.00 -0.30 0.00 0.99 -0.54 0.00 0.00 175.26 175.41 2jwx s THR 111 N -2.76 0.88 -0.04 -1.70 2.01 0.65 -2.55 115.64 112.13 2jwx s THR 111 Ca 0.54 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.83 2jwx s THR 111 Cb -0.10 -1.28 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 2jwx s THR 111 CO 0.41 -0.14 -0.19 0.00 -0.69 0.00 0.00 174.62 174.00 2jwx s ALA 112 N 1.70 1.70 -0.30 7.40 0.00 -0.49 -1.48 121.76 130.28 2jwx s ALA 112 Ca -0.02 -0.81 -0.16 0.00 0.00 0.00 0.00 51.96 50.97 2jwx s ALA 112 Cb -0.17 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 2jwx s ALA 112 CO -0.07 0.33 0.41 1.41 0.00 0.00 0.00 175.76 177.84 2jwx s MET 113 N -0.11 3.86 -0.22 0.00 -2.45 -0.13 -0.04 119.30 120.21 2jwx s MET 113 Ca -0.02 -0.06 -0.01 0.00 -1.25 0.00 0.00 55.69 54.36 2jwx s MET 113 Cb -0.11 -3.71 0.02 0.00 1.25 0.00 0.00 34.83 32.27 2jwx s MET 113 CO 0.02 -0.41 -0.11 0.08 1.05 0.00 0.00 175.02 175.66 2jwx s VAL 114 N 2.15 2.67 -0.38 10.11 1.01 0.55 -0.15 120.40 136.36 2jwx s VAL 114 Ca 0.16 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 2jwx s VAL 114 Cb -0.16 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.96 2jwx s VAL 114 CO 0.11 0.34 0.66 0.42 0.00 0.00 0.00 175.10 176.63 2jwx s THR 115 N 1.33 4.85 -0.05 3.92 -4.23 0.56 -0.17 115.64 121.86 2jwx s THR 115 Ca 0.02 0.53 -0.00 0.00 -1.18 0.00 0.00 61.69 61.07 2jwx s THR 115 Cb -0.15 -4.13 0.03 0.00 1.34 0.00 0.00 72.50 69.59 2jwx s THR 115 CO -0.07 -0.40 -0.01 0.00 -0.54 0.00 0.00 174.62 173.60 2jwx s ALA 116 N 2.81 0.51 0.74 3.99 0.00 -0.08 -0.24 121.76 129.49 2jwx s ALA 116 Ca 0.25 0.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.08 2jwx s ALA 116 Cb -0.14 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 2jwx s ALA 116 CO 0.16 -0.19 0.68 -3.47 0.00 0.00 0.00 175.76 172.95 2jwx n ASP 117 N 4.46 -0.65 0.25 0.00 -0.08 -0.60 0.28 116.55 120.21 2jwx n ASP 117 Ca -0.19 0.60 0.10 0.00 -1.51 0.00 0.00 54.79 53.79 2jwx n ASP 117 Cb 0.50 -1.28 0.64 0.00 2.34 0.00 0.00 41.12 43.32 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 -0.42 0.00 0.11 1.67 0.87 -1.51 0.44 113.55 114.70 2jwx h SER 118 Ca -0.46 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2jwx h SER 118 Cb 1.34 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2jwx h SER 118 CO 0.44 0.16 -0.00 0.07 -0.53 0.00 0.00 176.83 176.96 2jwx h LYS 119 N 0.00 0.00 -0.09 2.24 2.10 -1.86 1.67 116.57 120.64 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 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 2jwx h LYS 119 CO 0.02 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.13 2jwx n TYR 120 N -3.13 0.08 0.00 0.07 4.02 0.14 -4.73 117.16 113.61 2jwx n TYR 120 Ca -0.03 -0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 2jwx n TYR 120 Cb 0.10 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 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 -1.54 0.00 0.08 0.00 4.01 0.33 -4.53 117.16 115.52 2jwx n TYR 122 Ca 0.00 -0.08 -0.12 0.00 -0.16 0.00 0.00 57.90 57.53 2jwx n TYR 122 Cb 0.00 -0.04 -0.05 0.00 -0.31 0.00 0.00 39.34 38.93 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 -0.51 -2.16 2.72 0.00 0.18 0.50 103.07 103.79 2jwx h GLY 123 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.69 2jwx h GLY 123 CO 0.00 -0.23 0.00 -1.55 0.00 0.00 0.00 176.54 174.76 2jwx n PRO 124 N -5.40 2.49 -0.04 4.80 -0.04 -1.26 -4.56 135.00 130.99 2jwx n PRO 124 Ca -0.06 -2.28 -0.06 0.00 -0.04 0.00 0.00 63.50 61.06 2jwx n PRO 124 Cb 0.31 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 32.27 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 1.33 0.20 -0.83 0.54 6.02 -1.01 -5.13 117.38 118.49 2jwx n GLN 125 Ca 0.19 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 2jwx n GLN 125 Cb 0.56 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.68 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 3.06 -3.84 3.96 1.08 0.00 0.14 -4.97 105.19 104.62 2jwx n GLY 126 Ca -0.15 -0.93 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.76 5.73 0.21 1.61 0.15 -1.15 -4.84 113.70 112.64 2jwx s SER 127 Ca 0.00 0.19 -0.10 0.00 0.70 0.00 0.00 55.95 56.74 2jwx s SER 127 Cb 0.00 -1.37 0.28 0.00 -1.71 0.00 0.00 66.02 63.22 2jwx s SER 127 CO 0.00 -0.77 1.73 0.08 1.20 0.00 0.00 173.24 175.48 2jwx h ARG 128 N 0.37 0.35 0.00 5.44 0.11 -1.98 -3.35 114.38 115.31 2jwx h ARG 128 Ca -0.45 -0.02 -0.09 0.00 0.10 0.00 0.00 59.98 59.52 2jwx h ARG 128 Cb 1.26 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 32.25 2jwx h ARG 128 CO 0.56 0.23 -1.08 0.45 0.10 0.00 0.00 179.97 180.23 2jwx n SER 129 N -5.03 1.59 -4.45 0.08 2.88 -1.26 -4.95 113.62 102.47 2jwx n SER 129 Ca 0.09 0.26 -0.39 0.00 -1.33 0.00 0.00 58.87 57.50 2jwx n SER 129 Cb 0.29 -0.60 -0.12 0.00 -0.75 0.00 0.00 64.21 63.03 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 -2.55 3.35 -0.31 -1.46 0.05 -1.26 -5.03 135.00 127.80 2jwx s PRO 130 Ca -0.22 -0.71 -0.27 0.00 0.05 0.00 0.00 61.00 59.85 2jwx s PRO 130 Cb 0.05 -3.58 -0.06 0.00 0.05 0.00 0.00 34.50 30.97 2jwx s PRO 130 CO 0.31 -0.41 2.29 -0.47 0.05 0.00 0.00 177.00 178.77 2jwx s TYR 131 N 1.62 1.12 -0.23 0.56 5.04 -1.26 -2.93 117.35 121.27 2jwx s TYR 131 Ca 0.05 0.89 -0.29 0.00 -2.44 0.00 0.00 57.07 55.28 2jwx s TYR 131 Cb -0.17 -3.80 -0.01 0.00 0.35 0.00 0.00 41.96 38.32 2jwx s TYR 131 CO 0.06 -3.58 1.36 0.42 -1.34 0.00 0.00 175.55 172.48 2jwx s ILE 132 N 9.68 4.09 -0.66 3.14 -1.09 -1.26 -4.83 121.20 130.27 2jwx s ILE 132 Ca 1.00 1.26 -0.36 0.00 -2.23 0.00 0.00 60.65 60.32 2jwx s ILE 132 Cb -0.28 -3.99 -0.19 0.00 -1.58 0.00 0.00 42.46 36.42 2jwx s ILE 132 CO 0.32 -0.31 2.20 -2.65 -1.23 0.00 0.00 174.94 173.28 2jwx n PRO 133 N 7.12 0.00 -1.57 2.79 -0.02 -1.26 -4.39 135.00 137.67 2jwx n PRO 133 Ca 0.15 0.00 -0.48 0.00 -2.02 0.00 0.00 63.50 61.15 2jwx n PRO 133 Cb 0.46 -1.40 -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 7.36 1.14 -0.53 0.52 -0.04 -1.26 -0.07 135.00 142.11 2jwx n PRO 134 Ca 0.55 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 2jwx n PRO 134 Cb -0.01 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 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 1.31 0.00 -1.61 0.54 -0.00 -1.26 -4.92 115.22 109.28 2jwx n HIS 135 Ca 0.15 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.43 2jwx n HIS 135 Cb 0.25 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.21 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 0.31 1.60 -2.35 1.57 0.00 0.90 -4.01 120.51 118.54 2jwx n ALA 136 Ca 0.00 -0.08 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 2jwx n ALA 136 Cb 0.00 -2.80 -0.02 0.00 0.00 0.00 0.00 19.45 16.63 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 6.98 3.21 0.68 0.00 0.00 -1.26 -1.88 121.76 129.48 2jwx s ALA 137 Ca 0.98 0.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.87 2jwx s ALA 137 Cb -0.44 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 18.83 2jwx s ALA 137 CO 0.39 -2.07 1.07 -0.51 0.00 0.00 0.00 175.76 174.64 2jwx s LEU 138 N 4.96 3.01 -0.29 0.00 1.43 0.14 -1.49 118.68 126.46 2jwx s LEU 138 Ca 0.61 1.17 -0.03 0.00 -1.03 0.00 0.00 54.13 54.85 2jwx s LEU 138 Cb -0.16 -4.04 0.10 0.00 0.03 0.00 0.00 46.19 42.12 2jwx s LEU 138 CO 0.28 -1.20 0.11 0.00 0.23 0.00 0.00 176.35 175.77 2jwx s LEU 140 N 1.91 2.36 -0.35 0.00 0.05 0.76 0.98 118.68 124.39 2jwx s LEU 140 Ca 0.08 -0.56 -0.25 0.00 0.05 0.00 0.00 54.13 53.45 2jwx s LEU 140 Cb -0.17 -1.55 0.01 0.00 -2.05 0.00 0.00 46.19 42.44 2jwx s LEU 140 CO -0.30 0.01 0.87 -0.70 -0.55 0.00 0.00 176.35 175.69 2jwx s GLU 141 N 1.24 3.87 0.01 1.48 2.12 -1.05 -0.33 118.70 126.05 2jwx s GLU 141 Ca 0.03 0.57 0.01 0.00 0.36 0.00 0.00 54.97 55.93 2jwx s GLU 141 Cb -0.14 -3.78 -0.04 0.00 0.26 0.00 0.00 34.13 30.44 2jwx s GLU 141 CO -0.08 -0.85 0.05 0.14 -0.54 0.00 0.00 175.26 173.98 2jwx s VAL 142 N 3.27 4.50 -0.27 3.70 -7.23 0.94 -2.07 120.40 123.23 2jwx s VAL 142 Ca 0.36 -0.55 0.02 0.00 -1.81 0.00 0.00 61.98 60.00 2jwx s VAL 142 Cb -0.13 -3.06 0.07 0.00 0.56 0.00 0.00 36.38 33.82 2jwx s VAL 142 CO 0.16 0.31 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.33 2jwx s THR 143 N -1.20 1.88 -0.33 5.32 2.01 0.10 -1.40 115.64 122.03 2jwx s THR 143 Ca 0.23 -1.62 -0.24 0.00 0.31 0.00 0.00 61.69 60.38 2jwx s THR 143 Cb -0.12 -2.15 0.00 0.00 0.01 0.00 0.00 72.50 70.25 2jwx s THR 143 CO 0.14 -0.21 0.81 -0.22 -0.69 0.00 0.00 174.62 174.45 2jwx s LEU 144 N 1.20 4.08 -0.08 4.42 0.20 -1.06 -0.16 118.68 127.29 2jwx s LEU 144 Ca -0.03 0.59 0.10 0.00 0.69 0.00 0.00 54.13 55.48 2jwx s LEU 144 Cb -0.19 -3.09 -0.15 0.00 -0.43 0.00 0.00 46.19 42.33 2jwx s LEU 144 CO -0.07 -0.67 0.10 2.29 -0.29 0.00 0.00 176.35 177.70 2jwx n LYS 145 N 6.33 1.72 -3.66 1.98 2.85 -0.97 -0.45 118.16 125.95 2jwx n LYS 145 Ca 0.04 -0.03 -0.12 0.00 -1.05 0.00 0.00 58.31 57.15 2jwx n LYS 145 Cb 0.48 -1.28 -0.08 0.00 -0.65 0.00 0.00 35.03 33.50 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 -2.41 -0.00 -0.12 0.58 2.01 -1.24 -4.87 115.64 109.59 2jwx s THR 146 Ca -0.05 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 61.91 2jwx s THR 146 Cb 0.04 -0.86 0.06 0.00 0.01 0.00 0.00 72.50 71.75 2jwx s THR 146 CO 0.45 0.00 0.24 0.00 -0.69 0.00 0.00 174.62 174.62 2jwx s ALA 147 N 0.70 -0.49 -0.06 7.40 0.00 -1.26 -2.00 121.76 126.06 2jwx s ALA 147 Ca -0.03 0.88 -0.17 0.00 0.00 0.00 0.00 51.96 52.64 2jwx s ALA 147 Cb -0.05 -0.89 0.03 0.00 0.00 0.00 0.00 23.12 22.22 2jwx s ALA 147 CO -0.05 -0.52 0.39 0.14 0.00 0.00 0.00 175.76 175.73 2jwx s VAL 148 N 2.11 0.03 0.04 0.00 -7.23 -0.97 -4.92 120.40 109.45 2jwx s VAL 148 Ca -0.01 -0.28 -0.31 0.00 -1.81 0.00 0.00 61.98 59.57 2jwx s VAL 148 Cb -0.12 -0.66 -0.06 0.00 0.56 0.00 0.00 36.38 36.10 2jwx s VAL 148 CO -0.08 -0.15 1.38 -0.62 -0.31 0.00 0.00 175.10 175.31 2jwx s ASP 149 N -0.89 6.86 0.00 4.85 -1.08 -1.26 0.87 116.67 126.02 2jwx s ASP 149 Ca -0.10 2.17 0.00 0.00 -0.52 0.00 0.00 52.55 54.11 2jwx s ASP 149 Cb -0.04 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 2jwx s ASP 149 CO 0.04 -0.67 0.13 0.00 0.52 0.00 0.00 175.17 175.19 2jwx n LEU 150 N 4.77 0.03 -0.23 -1.34 -0.00 -0.98 -4.84 117.00 114.41 2jwx n LEU 150 Ca 0.12 -0.03 -0.08 0.00 -0.00 0.00 0.00 56.01 56.02 2jwx n LEU 150 Cb 0.43 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.89 2jwx n LEU 150 CO 0.58 0.01 0.88 -0.08 -0.00 0.00 0.00 177.39 178.78 2jwx h GLU 151 N 0.00 1.11 -7.27 1.47 4.22 -1.74 -3.44 114.58 108.92 2jwx h GLU 151 Ca 0.00 -0.31 -0.45 0.00 0.08 0.00 0.00 59.36 58.67 2jwx h GLU 151 Cb 0.61 -0.12 0.09 0.00 0.50 0.00 0.00 28.75 29.83 2jwx h GLU 151 CO 0.00 1.03 0.20 -1.01 -2.18 0.00 0.00 179.01 177.05 2jwx s HIS 152 N -5.15 2.45 0.00 0.92 3.76 -1.26 -4.15 115.29 111.86 2jwx s HIS 152 Ca -0.12 0.22 0.00 0.00 -0.15 0.00 0.00 55.06 55.01 2jwx s HIS 152 Cb 0.14 -3.22 0.00 0.00 1.11 0.00 0.00 32.58 30.61 2jwx s HIS 152 CO 0.85 -1.57 0.00 1.58 -0.85 0.00 0.00 174.74 174.75 2jwx n HIS 153 N -2.95 0.00 -4.18 1.40 -0.00 -1.26 -4.99 115.22 103.25 2jwx n HIS 153 Ca 0.10 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.49 2jwx n HIS 153 Cb 0.60 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.51 2jwx n HIS 153 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jwx s HIS 154 N -2.74 3.25 -0.94 1.57 4.02 -1.26 -5.05 115.29 114.15 2jwx s HIS 154 Ca 0.00 0.21 -0.16 0.00 1.02 0.00 0.00 55.06 56.13 2jwx s HIS 154 Cb 0.00 -1.76 0.17 0.00 -1.02 0.00 0.00 32.58 29.97 2jwx s HIS 154 CO 0.00 0.53 1.05 -1.58 1.02 0.00 0.00 174.74 175.76 2jwx s HIS 155 N -1.08 3.41 0.25 1.40 2.46 -1.26 -4.79 115.29 115.67 2jwx s HIS 155 Ca 0.19 -1.71 0.02 0.00 0.47 0.00 0.00 55.06 54.04 2jwx s HIS 155 Cb -0.12 -4.13 0.32 0.00 -0.13 0.00 0.00 32.58 28.52 2jwx s HIS 155 CO 0.09 -1.31 1.64 0.45 -2.47 0.00 0.00 174.74 173.15 2jwx h HIS 156 N 8.25 0.50 0.00 3.88 -0.00 -1.97 -3.55 115.15 122.26 2jwx h HIS 156 Ca 0.16 -0.14 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2jwx h HIS 156 Cb 1.01 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 28.31 2jwx h HIS 156 CO 1.10 0.77 0.00 0.72 -0.00 0.00 0.00 177.93 180.52