#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwx n GLY 2 N 0.00 0.01 2.97 3.03 0.00 -1.26 -5.11 105.19 104.82 2jwx n GLY 2 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2jwx n GLY 2 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jwx s GLN 3 N -0.40 1.00 0.49 1.61 0.74 -1.26 -5.14 119.66 116.70 2jwx s GLN 3 Ca 0.00 -0.25 -0.22 0.00 0.05 0.00 0.00 55.36 54.94 2jwx s GLN 3 Cb 0.00 -0.93 -0.06 0.00 1.10 0.00 0.00 33.01 33.12 2jwx s GLN 3 CO 0.00 0.04 1.24 -1.25 -0.55 0.00 0.00 175.29 174.77 2jwx s PRO 4 N 0.48 3.52 0.71 1.67 0.04 -1.26 -5.00 135.00 135.16 2jwx s PRO 4 Ca -0.08 1.96 -0.16 0.00 0.04 0.00 0.00 61.00 62.77 2jwx s PRO 4 Cb -0.11 -2.35 0.03 0.00 0.04 0.00 0.00 34.50 32.10 2jwx s PRO 4 CO 0.01 -0.80 1.21 -1.25 0.04 0.00 0.00 177.00 176.21 2jwx s PRO 5 N -2.78 2.25 -0.10 0.56 0.04 -1.26 -4.98 135.00 128.74 2jwx s PRO 5 Ca 0.67 1.78 0.08 0.00 0.04 0.00 0.00 61.00 63.57 2jwx s PRO 5 Cb -0.33 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.24 2jwx s PRO 5 CO 0.40 -1.75 0.02 0.00 0.04 0.00 0.00 177.00 175.71 2jwx n ALA 6 N -2.55 1.75 -2.35 8.56 0.00 -1.26 -5.04 120.51 119.62 2jwx n ALA 6 Ca 0.14 -0.66 -0.18 0.00 0.00 0.00 0.00 53.44 52.74 2jwx n ALA 6 Cb 0.50 0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.90 2jwx n ALA 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2jwx s GLU 7 N -2.25 1.35 0.00 0.00 -1.05 -1.26 -5.12 118.70 110.38 2jwx s GLU 7 Ca -0.06 -1.62 0.00 0.00 -0.15 0.00 0.00 54.97 53.14 2jwx s GLU 7 Cb 0.03 -1.05 0.00 0.00 -0.44 0.00 0.00 34.13 32.67 2jwx s GLU 7 CO 0.40 0.13 0.21 -1.91 0.95 0.00 0.00 175.26 175.04 2jwx n GLU 8 N -0.41 0.00 -4.05 -4.83 2.13 -1.26 -4.95 120.64 107.27 2jwx n GLU 8 Ca -0.07 0.04 -0.15 0.00 0.66 0.00 0.00 57.16 57.64 2jwx n GLU 8 Cb 0.61 -0.74 -0.14 0.00 0.27 0.00 0.00 31.44 31.44 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 -3.19 0.30 0.08 4.31 0.00 -1.26 -5.06 121.76 116.94 2jwx s ALA 9 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 2jwx s ALA 9 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.01 2jwx s ALA 9 CO 0.00 0.06 -0.02 -0.85 0.00 0.00 0.00 175.76 174.95 2jwx n GLU 10 N 3.13 0.03 0.18 0.00 0.00 -1.26 -1.26 120.64 121.47 2jwx n GLU 10 Ca -0.14 0.01 -0.13 0.00 0.00 0.00 0.00 57.16 56.90 2jwx n GLU 10 Cb 0.58 -0.56 -0.07 0.00 0.00 0.00 0.00 31.44 31.39 2jwx n GLU 10 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 2jwx h GLN 11 N -0.06 -0.48 -0.71 3.44 4.15 -1.87 -3.16 115.11 116.42 2jwx h GLN 11 Ca -0.00 0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.33 2jwx h GLN 11 Cb 0.06 0.11 -0.08 0.00 0.21 0.00 0.00 27.48 27.79 2jwx h GLN 11 CO -0.00 -0.16 0.16 -0.35 -1.93 0.00 0.00 178.83 176.55 2jwx n PRO 12 N -5.16 4.01 0.00 -2.39 -0.04 -1.26 -4.91 135.00 125.25 2jwx n PRO 12 Ca -0.10 -2.91 0.00 0.00 -0.04 0.00 0.00 63.50 60.45 2jwx n PRO 12 Cb 0.28 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 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 0.16 1.99 0.49 0.55 0.00 -1.19 -5.02 105.19 102.17 2jwx n GLY 13 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.00 2.31 -2.08 4.61 0.00 -0.39 -4.84 120.51 117.12 2jwx n ALA 14 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2jwx n ALA 14 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.92 3.88 0.39 0.00 -0.00 -1.24 -4.89 118.68 113.89 2jwx s LEU 15 Ca 0.00 1.30 0.00 0.00 -0.00 0.00 0.00 54.13 55.43 2jwx s LEU 15 Cb 0.00 -4.16 0.00 0.00 -0.00 0.00 0.00 46.19 42.03 2jwx s LEU 15 CO 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 176.35 175.98 2jwx n ALA 16 N -0.99 -2.87 -3.00 1.48 0.00 -1.26 -3.99 120.51 109.88 2jwx n ALA 16 Ca 0.04 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2jwx n ALA 16 Cb 0.54 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -3.87 0.00 -2.78 0.00 5.12 -1.26 -4.55 116.66 109.33 2jwx n ARG 17 Ca -0.04 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.67 2jwx n ARG 17 Cb 0.51 0.00 0.09 0.00 -1.16 0.00 0.00 32.46 31.90 2jwx n ARG 17 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2jwx s GLU 18 N -1.23 1.98 -0.98 5.56 0.41 -1.26 -4.73 118.70 118.45 2jwx s GLU 18 Ca 0.00 -1.31 -0.06 0.00 -0.41 0.00 0.00 54.97 53.18 2jwx s GLU 18 Cb 0.00 -2.47 -0.04 0.00 -1.78 0.00 0.00 34.13 29.83 2jwx s GLU 18 CO 0.00 -1.17 0.85 1.19 -0.49 0.00 0.00 175.26 175.64 2jwx n PHE 19 N -2.56 -2.51 -2.58 1.61 3.01 -0.69 -4.87 117.46 108.87 2jwx n PHE 19 Ca 0.15 0.87 -0.41 0.00 1.01 0.00 0.00 57.45 59.07 2jwx n PHE 19 Cb 0.61 -4.01 -0.03 0.00 -0.01 0.00 0.00 39.48 36.04 2jwx n PHE 19 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2jwx s LEU 20 N -5.20 3.33 0.00 4.37 1.43 -0.89 -3.55 118.68 118.17 2jwx s LEU 20 Ca 0.35 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 2jwx s LEU 20 Cb -0.06 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.61 2jwx s LEU 20 CO 0.76 -1.74 0.00 0.00 0.23 0.00 0.00 176.35 175.60 2jwx n ALA 21 N 9.14 0.00 -0.22 4.21 0.00 -1.26 -4.60 120.51 127.78 2jwx n ALA 21 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.55 2jwx n ALA 21 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 2jwx n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jwx n ALA 22 N -0.59 -0.58 -1.14 0.00 0.00 -1.23 -4.51 120.51 112.46 2jwx n ALA 22 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2jwx n ALA 22 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.21 2jwx n ALA 22 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2jwx n MET 23 N -2.39 -1.69 -2.58 0.00 0.00 -1.26 -4.81 117.12 104.40 2jwx n MET 23 Ca -0.01 1.55 -0.04 0.00 -0.00 0.00 0.00 57.70 59.20 2jwx n MET 23 Cb 0.10 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 31.84 2jwx n MET 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2jwx n GLU 24 N 0.58 -2.42 -2.86 2.12 -0.58 -1.26 -4.78 120.64 111.44 2jwx n GLU 24 Ca 0.00 2.12 -0.40 0.00 -0.42 0.00 0.00 57.16 58.46 2jwx n GLU 24 Cb 0.00 -4.87 -0.05 0.00 -0.57 0.00 0.00 31.44 25.95 2jwx n GLU 24 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2jwx s PRO 25 N -1.92 4.63 0.14 3.49 0.05 -1.26 -4.91 135.00 135.22 2jwx s PRO 25 Ca 0.12 1.28 0.04 0.00 0.05 0.00 0.00 61.00 62.49 2jwx s PRO 25 Cb -0.03 -3.33 -0.04 0.00 0.05 0.00 0.00 34.50 31.15 2jwx s PRO 25 CO 0.65 0.36 0.12 -1.21 0.05 0.00 0.00 177.00 176.98 2jwx s GLU 26 N -0.46 2.91 0.74 4.56 2.02 -1.26 -5.10 118.70 122.11 2jwx s GLU 26 Ca 0.41 -0.81 -0.14 0.00 0.02 0.00 0.00 54.97 54.45 2jwx s GLU 26 Cb -0.23 -2.68 0.05 0.00 0.10 0.00 0.00 34.13 31.37 2jwx s GLU 26 CO 0.27 0.51 1.17 -2.14 0.02 0.00 0.00 175.26 175.10 2jwx s PRO 27 N -2.89 2.15 -0.09 0.39 0.02 -1.26 -4.88 135.00 128.43 2jwx s PRO 27 Ca 0.31 1.62 -0.30 0.00 0.02 0.00 0.00 61.00 62.65 2jwx s PRO 27 Cb -0.11 -1.85 -0.08 0.00 0.02 0.00 0.00 34.50 32.48 2jwx s PRO 27 CO 0.23 -1.80 2.06 0.00 -0.33 0.00 0.00 177.00 177.16 2jwx n ALA 28 N -2.89 1.54 -1.82 -1.55 0.00 -1.26 -4.92 120.51 109.60 2jwx n ALA 28 Ca 0.12 0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.19 2jwx n ALA 28 Cb 0.51 -2.74 -0.03 0.00 0.00 0.00 0.00 19.45 17.19 2jwx n ALA 28 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2jwx s PRO 29 N 5.16 4.17 -0.51 0.00 0.02 -1.26 -4.96 135.00 137.62 2jwx s PRO 29 Ca 0.95 2.49 0.06 0.00 0.02 0.00 0.00 61.00 64.52 2jwx s PRO 29 Cb -0.46 -3.20 0.37 0.00 0.02 0.00 0.00 34.50 31.23 2jwx s PRO 29 CO 0.41 -0.70 0.98 0.00 -0.33 0.00 0.00 177.00 177.36 2jwx n ALA 30 N 4.30 4.50 -1.11 -1.55 0.00 -1.26 -4.43 120.51 120.95 2jwx n ALA 30 Ca 0.15 -4.40 -0.30 0.00 0.00 0.00 0.00 53.44 48.90 2jwx n ALA 30 Cb 0.37 -0.70 0.14 0.00 0.00 0.00 0.00 19.45 19.27 2jwx n ALA 30 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2jwx s PRO 31 N -3.39 1.18 -0.12 0.00 0.02 -1.26 -5.05 135.00 126.39 2jwx s PRO 31 Ca 0.47 0.93 -0.04 0.00 0.02 0.00 0.00 61.00 62.38 2jwx s PRO 31 Cb 0.33 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 33.03 2jwx s PRO 31 CO -0.14 -2.32 0.03 0.00 -0.33 0.00 0.00 177.00 174.24 2jwx s ALA 32 N -2.87 3.36 0.00 -1.55 0.00 -1.26 -5.00 121.76 114.45 2jwx s ALA 32 Ca 0.64 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2jwx s ALA 32 Cb -0.19 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.28 2jwx s ALA 32 CO 0.57 0.46 1.10 -2.30 0.00 0.00 0.00 175.76 175.59 2jwx n PRO 33 N 2.59 0.80 0.00 0.00 -0.02 -1.25 -3.46 135.00 133.65 2jwx n PRO 33 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2jwx n PRO 33 Cb 0.53 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 2jwx n PRO 33 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2jwx n GLU 34 N 0.97 0.00 -2.62 -0.52 0.28 -1.26 -4.69 120.64 112.80 2jwx n GLU 34 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 2jwx n GLU 34 Cb 0.40 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.24 2jwx n GLU 34 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2jwx s GLU 35 N -1.21 3.37 0.16 3.44 2.02 -1.23 -4.95 118.70 120.32 2jwx s GLU 35 Ca 0.00 -0.01 -0.31 0.00 0.02 0.00 0.00 54.97 54.66 2jwx s GLU 35 Cb 0.00 -4.08 -0.17 0.00 0.10 0.00 0.00 34.13 29.98 2jwx s GLU 35 CO 0.00 -1.80 0.77 0.91 0.02 0.00 0.00 175.26 175.16 2jwx n TRP 36 N 8.56 0.16 -3.81 1.61 7.02 -1.26 -4.67 117.44 125.05 2jwx n TRP 36 Ca 0.05 0.93 -0.36 0.00 -1.02 0.00 0.00 57.50 57.10 2jwx n TRP 36 Cb 0.49 -2.06 -0.11 0.00 -2.42 0.00 0.00 31.31 27.21 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 1.79 3.75 -0.78 -0.99 2.96 -0.89 -4.92 118.68 119.60 2jwx s LEU 37 Ca 0.71 -0.03 -0.26 0.00 -0.22 0.00 0.00 54.13 54.33 2jwx s LEU 37 Cb -0.97 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 43.73 2jwx s LEU 37 CO 0.56 0.05 1.64 1.51 -1.32 0.00 0.00 176.35 178.79 2jwx s ASP 38 N 1.12 5.71 0.12 3.68 -4.77 -1.26 -2.24 116.67 119.04 2jwx s ASP 38 Ca 0.05 -0.42 -0.22 0.00 -3.30 0.00 0.00 52.55 48.66 2jwx s ASP 38 Cb -0.14 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.09 2jwx s ASP 38 CO 0.04 -2.15 1.69 0.40 0.70 0.00 0.00 175.17 175.85 2jwx h ILE 39 N 6.71 0.71 -0.02 2.11 2.04 -0.57 -1.82 117.51 126.67 2jwx h ILE 39 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2jwx h ILE 39 Cb 1.07 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2jwx h ILE 39 CO 1.27 0.00 -0.31 0.18 0.00 0.00 0.00 178.15 179.30 2jwx n LEU 40 N -5.24 2.25 -1.08 1.44 7.99 -1.26 -4.88 117.00 116.22 2jwx n LEU 40 Ca -0.04 -0.79 -0.14 0.00 -0.01 0.00 0.00 56.01 55.03 2jwx n LEU 40 Cb 0.17 -0.01 -0.06 0.00 -0.11 0.00 0.00 43.42 43.41 2jwx n LEU 40 CO 0.24 0.40 -0.13 0.61 -1.51 0.00 0.00 177.39 177.00 2jwx n GLY 41 N 1.39 1.44 0.12 -0.72 0.00 -0.68 -4.85 105.19 101.88 2jwx n GLY 41 Ca 0.11 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.94 2jwx n GLY 41 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2jwx h ASN 42 N 0.00 0.00 0.00 1.61 -1.07 -1.85 -3.48 115.58 110.79 2jwx h ASN 42 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.08 2jwx h ASN 42 Cb 0.99 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.24 2jwx h ASN 42 CO 0.42 0.27 0.00 0.61 0.07 0.00 0.00 177.43 178.80 2jwx n GLY 43 N 1.26 3.08 0.07 9.14 0.00 -1.26 -4.75 105.19 112.73 2jwx n GLY 43 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 -8.13 0.99 -0.00 -1.92 -3.43 115.31 102.82 2jwx h LEU 44 Ca 0.00 0.00 -0.68 0.00 -0.00 0.00 0.00 57.88 57.20 2jwx h LEU 44 Cb 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 40.66 40.35 2jwx h LEU 44 CO 0.00 0.92 -0.69 -0.22 -0.00 0.00 0.00 178.44 178.45 2jwx s LEU 45 N -6.65 3.74 -0.00 1.67 1.98 -1.25 -1.82 118.68 116.35 2jwx s LEU 45 Ca 0.01 -1.07 0.01 0.00 -2.89 0.00 0.00 54.13 50.19 2jwx s LEU 45 Cb 0.10 -1.74 0.00 0.00 0.66 0.00 0.00 46.19 45.21 2jwx s LEU 45 CO 0.81 -0.22 -0.02 -0.13 -1.89 0.00 0.00 176.35 174.89 2jwx s ARG 46 N 1.32 0.21 -0.08 1.98 0.52 0.10 0.25 118.95 123.26 2jwx s ARG 46 Ca -0.02 -0.08 0.03 0.00 -0.52 0.00 0.00 55.73 55.14 2jwx s ARG 46 Cb -0.18 -0.22 -0.02 0.00 0.52 0.00 0.00 34.95 35.05 2jwx s ARG 46 CO -0.01 0.04 -0.17 0.21 0.02 0.00 0.00 175.30 175.39 2jwx s LYS 47 N 0.02 2.84 -0.19 3.54 2.20 -0.95 -0.17 119.74 127.04 2jwx s LYS 47 Ca 0.00 -0.76 -0.01 0.00 -0.36 0.00 0.00 55.97 54.84 2jwx s LYS 47 Cb -0.02 -2.40 0.00 0.00 -1.51 0.00 0.00 37.83 33.90 2jwx s LYS 47 CO -0.00 0.40 -0.12 0.21 -0.36 0.00 0.00 175.35 175.48 2jwx s LYS 48 N -0.16 3.22 -1.02 4.03 2.20 0.46 -2.08 119.74 126.40 2jwx s LYS 48 Ca -0.02 -0.72 -0.23 0.00 -0.36 0.00 0.00 55.97 54.65 2jwx s LYS 48 Cb -0.14 -2.78 0.02 0.00 -1.51 0.00 0.00 37.83 33.42 2jwx s LYS 48 CO 0.04 -0.14 1.65 0.95 -0.36 0.00 0.00 175.35 177.49 2jwx s THR 49 N 1.23 3.78 0.11 3.43 -4.23 -1.26 -1.29 115.64 117.41 2jwx s THR 49 Ca 0.03 -0.76 -0.17 0.00 -1.18 0.00 0.00 61.69 59.60 2jwx s THR 49 Cb -0.14 -4.73 -0.05 0.00 1.34 0.00 0.00 72.50 68.92 2jwx s THR 49 CO -0.05 -1.60 1.62 -0.07 -0.54 0.00 0.00 174.62 173.98 2jwx h LEU 50 N 14.57 0.46 -7.78 4.79 3.38 -1.63 -3.34 115.31 125.75 2jwx h LEU 50 Ca 0.19 -0.21 -0.51 0.00 0.09 0.00 0.00 57.88 57.44 2jwx h LEU 50 Cb 0.99 -0.12 -0.36 0.00 0.09 0.00 0.00 40.66 41.26 2jwx h LEU 50 CO 1.36 0.55 -0.80 -0.69 0.09 0.00 0.00 178.44 178.94 2jwx s VAL 51 N -5.38 1.02 -0.11 1.22 1.01 -0.41 -4.94 120.40 112.81 2jwx s VAL 51 Ca -0.13 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 2jwx s VAL 51 Cb 0.09 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2jwx s VAL 51 CO 0.74 0.35 0.06 -2.16 0.00 0.00 0.00 175.10 174.10 2jwx s PRO 52 N 1.35 3.32 0.37 2.72 0.04 -1.26 -0.19 135.00 141.35 2jwx s PRO 52 Ca -0.02 -0.30 -0.27 0.00 0.04 0.00 0.00 61.00 60.46 2jwx s PRO 52 Cb -0.14 -3.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.30 2jwx s PRO 52 CO -0.04 0.66 1.21 0.20 0.04 0.00 0.00 177.00 179.07 2jwx s GLY 53 N -0.72 2.93 -0.06 0.56 0.00 -1.26 -4.79 107.32 103.98 2jwx s GLY 53 Ca 0.12 1.06 -0.35 0.00 0.00 0.00 0.00 44.72 45.55 2jwx s GLY 53 CO 0.03 1.63 1.78 -1.55 0.00 0.00 0.00 173.10 174.99 2jwx n PRO 54 N 0.37 1.98 -1.40 2.90 -0.04 -1.26 -4.70 135.00 132.84 2jwx n PRO 54 Ca 0.03 0.72 -0.42 0.00 -0.04 0.00 0.00 63.50 63.79 2jwx n PRO 54 Cb 0.45 -2.52 -0.14 0.00 -0.04 0.00 0.00 33.50 31.25 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 5.69 0.00 0.00 0.54 -0.01 -1.26 -1.34 135.00 138.62 2jwx n PRO 55 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.71 2jwx n PRO 55 Cb 0.26 -1.43 0.00 0.00 -0.01 0.00 0.00 33.50 32.32 2jwx n PRO 55 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2jwx n GLY 56 N 6.32 1.40 6.41 -1.23 0.00 -1.26 -4.83 105.19 112.01 2jwx n GLY 56 Ca 0.62 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 0.00 -3.70 1.61 7.64 -0.45 -1.99 113.62 116.73 2jwx n SER 57 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 2jwx n SER 57 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 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 -3.72 -0.15 -0.53 6.43 0.01 -1.26 -1.70 113.70 112.77 2jwx s SER 58 Ca 0.00 0.66 -0.06 0.00 1.31 0.00 0.00 55.95 57.86 2jwx s SER 58 Cb 0.00 0.64 0.14 0.00 0.21 0.00 0.00 66.02 67.01 2jwx s SER 58 CO 0.00 -0.20 0.37 -0.13 0.41 0.00 0.00 173.24 173.70 2jwx s ARG 59 N 1.72 2.48 0.15 12.44 1.81 -1.20 -0.82 118.95 135.52 2jwx s ARG 59 Ca -0.06 -2.07 -0.31 0.00 -1.72 0.00 0.00 55.73 51.58 2jwx s ARG 59 Cb -0.11 -3.82 -0.08 0.00 -0.45 0.00 0.00 34.95 30.49 2jwx s ARG 59 CO -0.10 -1.17 1.31 -1.25 -0.68 0.00 0.00 175.30 173.42 2jwx s PRO 60 N 0.77 4.38 0.18 3.54 0.04 -1.26 -4.74 135.00 137.92 2jwx s PRO 60 Ca 0.11 2.01 -0.14 0.00 0.04 0.00 0.00 61.00 63.02 2jwx s PRO 60 Cb -0.22 -3.24 -0.07 0.00 0.04 0.00 0.00 34.50 31.01 2jwx s PRO 60 CO -0.03 -0.30 0.58 0.14 0.04 0.00 0.00 177.00 177.42 2jwx s VAL 61 N 0.57 4.84 -0.81 -0.36 -7.23 -1.26 -4.27 120.40 111.88 2jwx s VAL 61 Ca 0.59 0.80 -0.27 0.00 -1.81 0.00 0.00 61.98 61.29 2jwx s VAL 61 Cb -0.35 -3.71 -0.17 0.00 0.56 0.00 0.00 36.38 32.70 2jwx s VAL 61 CO 0.34 0.14 2.55 0.29 -0.31 0.00 0.00 175.10 178.12 2jwx n LYS 62 N 0.52 0.39 0.00 4.82 4.01 -1.26 -0.46 118.16 126.18 2jwx n LYS 62 Ca -0.03 -0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 2jwx n LYS 62 Cb 0.52 -2.26 0.00 0.00 -0.51 0.00 0.00 35.03 32.78 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 6.27 0.84 3.76 0.72 0.00 0.19 -4.67 105.19 112.29 2jwx n GLY 63 Ca 0.55 0.00 -0.40 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 4.54 -0.13 1.61 -1.52 0.40 -1.77 119.66 122.79 2jwx s GLN 64 Ca 0.00 1.13 -0.29 0.00 -1.95 0.00 0.00 55.36 54.25 2jwx s GLN 64 Cb 0.00 -3.32 -0.02 0.00 -0.22 0.00 0.00 33.01 29.45 2jwx s GLN 64 CO 0.00 0.41 1.27 0.14 -0.25 0.00 0.00 175.29 176.85 2jwx s VAL 65 N -0.54 4.23 -0.14 1.09 -7.23 0.13 -2.47 120.40 115.46 2jwx s VAL 65 Ca 0.38 1.51 0.00 0.00 -1.81 0.00 0.00 61.98 62.06 2jwx s VAL 65 Cb -0.22 -3.97 -0.01 0.00 0.56 0.00 0.00 36.38 32.74 2jwx s VAL 65 CO 0.25 -0.10 -0.14 0.68 -0.31 0.00 0.00 175.10 175.48 2jwx s VAL 66 N 3.16 2.89 -0.43 1.32 -7.23 -1.07 -1.97 120.40 117.06 2jwx s VAL 66 Ca 0.56 -0.71 -0.22 0.00 -1.81 0.00 0.00 61.98 59.80 2jwx s VAL 66 Cb -0.23 -2.21 0.02 0.00 0.56 0.00 0.00 36.38 34.52 2jwx s VAL 66 CO 0.17 0.52 0.70 -0.89 -0.31 0.00 0.00 175.10 175.29 2jwx s THR 67 N 0.53 4.77 -0.16 5.32 2.01 -0.81 -2.34 115.64 124.96 2jwx s THR 67 Ca -0.09 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.22 2jwx s THR 67 Cb -0.16 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.11 2jwx s THR 67 CO 0.04 -0.60 -0.10 0.68 -0.69 0.00 0.00 174.62 173.95 2jwx s VAL 68 N 2.99 3.16 -0.50 3.82 -7.23 0.11 -2.37 120.40 120.38 2jwx s VAL 68 Ca 0.26 -0.61 -0.26 0.00 -1.81 0.00 0.00 61.98 59.56 2jwx s VAL 68 Cb -0.13 -2.36 0.03 0.00 0.56 0.00 0.00 36.38 34.48 2jwx s VAL 68 CO 0.20 0.50 0.98 -2.28 -0.31 0.00 0.00 175.10 174.19 2jwx s HIS 69 N 0.65 2.84 -0.15 2.82 2.46 0.50 0.28 115.29 124.69 2jwx s HIS 69 Ca -0.06 0.32 0.02 0.00 0.47 0.00 0.00 55.06 55.81 2jwx s HIS 69 Cb -0.15 -4.11 0.01 0.00 -0.13 0.00 0.00 32.58 28.20 2jwx s HIS 69 CO 0.02 -1.24 -0.21 -0.48 -2.47 0.00 0.00 174.74 170.37 2jwx s LEU 70 N 4.02 2.16 -0.33 8.88 -0.00 -0.15 0.03 118.68 133.30 2jwx s LEU 70 Ca 0.37 -0.60 -0.05 0.00 -0.00 0.00 0.00 54.13 53.85 2jwx s LEU 70 Cb -0.10 -1.47 0.05 0.00 -0.00 0.00 0.00 46.19 44.67 2jwx s LEU 70 CO 0.25 0.06 0.07 -1.10 -0.00 0.00 0.00 176.35 175.63 2jwx s GLN 71 N 0.95 2.53 -0.21 1.48 1.11 -0.76 0.07 119.66 124.83 2jwx s GLN 71 Ca -0.03 -1.24 -0.14 0.00 0.01 0.00 0.00 55.36 53.95 2jwx s GLN 71 Cb -0.15 -3.37 -0.04 0.00 -1.01 0.00 0.00 33.01 28.44 2jwx s GLN 71 CO -0.05 -0.67 0.33 0.99 0.01 0.00 0.00 175.29 175.90 2jwx s THR 72 N 1.34 5.25 0.15 -0.19 2.01 0.68 -2.44 115.64 122.44 2jwx s THR 72 Ca -0.03 0.55 0.04 0.00 0.31 0.00 0.00 61.69 62.57 2jwx s THR 72 Cb -0.20 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2jwx s THR 72 CO 0.01 0.29 0.14 -0.44 -0.69 0.00 0.00 174.62 173.93 2jwx s SER 73 N 1.01 5.60 0.87 3.53 0.01 0.15 0.30 113.70 125.16 2jwx s SER 73 Ca 0.16 -0.08 -0.12 0.00 1.31 0.00 0.00 55.95 57.22 2jwx s SER 73 Cb -0.14 -1.49 0.11 0.00 0.21 0.00 0.00 66.02 64.71 2jwx s SER 73 CO 0.07 0.09 1.10 -0.22 0.41 0.00 0.00 173.24 174.68 2jwx s LEU 74 N -2.99 2.28 0.65 2.44 1.98 0.22 -0.14 118.68 123.12 2jwx s LEU 74 Ca 0.31 1.27 0.40 0.00 -2.89 0.00 0.00 54.13 53.23 2jwx s LEU 74 Cb -0.10 -3.73 2.25 0.00 0.66 0.00 0.00 46.19 45.27 2jwx s LEU 74 CO 0.24 -2.40 2.33 1.05 -1.89 0.00 0.00 176.35 175.68 2jwx h GLU 75 N -1.39 0.00 0.00 1.98 4.11 -1.28 0.43 114.58 118.43 2jwx h GLU 75 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2jwx h GLU 75 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2jwx h GLU 75 CO 0.58 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.75 2jwx n ASN 76 N -3.28 0.37 0.00 3.06 5.03 -1.26 -4.89 115.26 114.29 2jwx n ASN 76 Ca -0.03 0.57 0.00 0.00 0.87 0.00 0.00 54.58 55.99 2jwx n ASN 76 Cb 0.09 -0.66 0.00 0.00 -1.02 0.00 0.00 39.78 38.19 2jwx n ASN 76 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jwx n GLY 77 N 0.52 3.08 3.62 7.41 0.00 0.15 -5.03 105.19 114.94 2jwx n GLY 77 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.75 3.87 -0.07 2.61 2.01 -1.25 -4.50 115.64 115.56 2jwx s THR 78 Ca 0.00 0.95 -0.30 0.00 0.31 0.00 0.00 61.69 62.66 2jwx s THR 78 Cb 0.00 -3.98 -0.06 0.00 0.01 0.00 0.00 72.50 68.47 2jwx s THR 78 CO 0.00 -0.49 1.77 -0.13 -0.69 0.00 0.00 174.62 175.07 2jwx s ARG 79 N 4.69 4.05 0.01 4.92 0.52 -1.26 0.71 118.95 132.58 2jwx s ARG 79 Ca 0.65 2.21 0.20 0.00 -0.52 0.00 0.00 55.73 58.27 2jwx s ARG 79 Cb -0.19 -4.06 -0.21 0.00 0.52 0.00 0.00 34.95 31.01 2jwx s ARG 79 CO 0.29 -1.02 0.60 1.33 0.02 0.00 0.00 175.30 176.52 2jwx n VAL 80 N 5.78 0.64 -3.70 3.52 0.24 0.15 -4.91 118.33 120.03 2jwx n VAL 80 Ca 0.19 -0.62 -0.11 0.00 -2.04 0.00 0.00 64.34 61.76 2jwx n VAL 80 Cb 0.43 -0.32 -0.11 0.00 -1.47 0.00 0.00 33.84 32.37 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 -3.18 0.41 -0.28 7.34 -2.07 -1.18 -4.72 119.66 115.98 2jwx s GLN 81 Ca -0.06 0.73 0.03 0.00 -1.82 0.00 0.00 55.36 54.25 2jwx s GLN 81 Cb 0.10 0.03 0.07 0.00 -1.09 0.00 0.00 33.01 32.13 2jwx s GLN 81 CO 0.85 -0.14 -0.05 -2.00 -1.32 0.00 0.00 175.29 172.63 2jwx s GLU 82 N 1.14 1.93 -0.44 9.60 2.12 -1.26 -0.23 118.70 131.56 2jwx s GLU 82 Ca -0.07 -1.45 -0.07 0.00 0.36 0.00 0.00 54.97 53.73 2jwx s GLU 82 Cb -0.07 -2.93 0.11 0.00 0.26 0.00 0.00 34.13 31.50 2jwx s GLU 82 CO -0.10 -0.69 0.28 -2.00 -0.54 0.00 0.00 175.26 172.22 2jwx s GLU 83 N 1.09 2.35 -1.16 4.30 2.56 0.11 -4.97 118.70 122.97 2jwx s GLU 83 Ca -0.03 -1.73 -0.21 0.00 0.00 0.00 0.00 54.97 53.01 2jwx s GLU 83 Cb -0.20 -3.78 0.05 0.00 2.00 0.00 0.00 34.13 32.20 2jwx s GLU 83 CO -0.06 -1.11 1.63 -1.25 -0.56 0.00 0.00 175.26 173.91 2jwx s PRO 84 N 1.30 3.71 0.00 4.30 0.05 -1.26 -0.98 135.00 142.12 2jwx s PRO 84 Ca 0.06 -1.54 0.00 0.00 0.05 0.00 0.00 61.00 59.57 2jwx s PRO 84 Cb -0.25 -5.44 0.00 0.00 0.05 0.00 0.00 34.50 28.87 2jwx s PRO 84 CO -0.01 -2.35 0.00 0.39 0.05 0.00 0.00 177.00 175.08 2jwx n GLU 85 N 8.62 0.00 -3.80 4.56 1.02 -1.24 -4.94 120.64 124.86 2jwx n GLU 85 Ca 0.42 0.13 -0.37 0.00 -0.02 0.00 0.00 57.16 57.32 2jwx n GLU 85 Cb 0.48 -0.32 -0.13 0.00 -0.02 0.00 0.00 31.44 31.45 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 -0.12 4.20 -0.15 -4.62 2.96 0.14 -4.77 118.68 116.32 2jwx s LEU 86 Ca 0.00 -1.18 -0.08 0.00 -0.22 0.00 0.00 54.13 52.65 2jwx s LEU 86 Cb 0.00 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2jwx s LEU 86 CO 0.00 -0.31 0.12 0.54 -1.32 0.00 0.00 176.35 175.38 2jwx s VAL 87 N 1.36 5.34 0.17 1.68 0.11 -1.23 0.05 120.40 127.88 2jwx s VAL 87 Ca -0.03 0.16 -0.12 0.00 -2.93 0.00 0.00 61.98 59.06 2jwx s VAL 87 Cb -0.20 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.28 2jwx s VAL 87 CO 0.02 0.54 0.35 0.72 -3.33 0.00 0.00 175.10 173.40 2jwx s PHE 88 N -0.37 0.22 -0.55 1.54 -0.71 -0.99 -4.93 117.98 112.18 2jwx s PHE 88 Ca 0.11 -0.58 -0.28 0.00 -1.04 0.00 0.00 56.93 55.15 2jwx s PHE 88 Cb -0.12 0.08 0.01 0.00 -1.21 0.00 0.00 43.02 41.79 2jwx s PHE 88 CO 0.01 -0.77 1.41 0.99 -1.34 0.00 0.00 175.22 175.52 2jwx s THR 89 N -3.93 3.80 0.38 -4.49 2.01 -1.26 -2.61 115.64 109.54 2jwx s THR 89 Ca 0.14 0.69 -0.27 0.00 0.31 0.00 0.00 61.69 62.56 2jwx s THR 89 Cb 0.02 -4.43 -0.11 0.00 0.01 0.00 0.00 72.50 67.99 2jwx s THR 89 CO -0.02 -1.15 1.34 -0.11 -0.69 0.00 0.00 174.62 173.99 2jwx n LEU 90 N 9.51 4.12 -0.34 4.42 7.94 -1.03 -2.44 117.00 139.18 2jwx n LEU 90 Ca 0.12 1.17 -0.04 0.00 -1.11 0.00 0.00 56.01 56.15 2jwx n LEU 90 Cb 0.49 -1.53 -0.02 0.00 0.53 0.00 0.00 43.42 42.89 2jwx n LEU 90 CO 0.71 -0.36 -0.04 0.61 -1.11 0.00 0.00 177.39 177.20 2jwx n GLY 91 N 0.69 0.44 0.92 -3.96 0.00 -1.19 0.55 105.19 102.64 2jwx n GLY 91 Ca 0.05 -0.01 0.09 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 -1.01 3.07 -3.51 1.61 2.03 -1.02 -4.86 116.55 112.86 2jwx n ASP 92 Ca -0.04 -1.89 -0.25 0.00 0.52 0.00 0.00 54.79 53.12 2jwx n ASP 92 Cb 0.51 -0.20 0.05 0.00 -0.72 0.00 0.00 41.12 40.77 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 -2.07 0.00 -0.20 0.00 1.82 -1.93 -3.44 116.42 110.61 2jwx h ASP 94 Ca -0.55 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.09 2jwx h ASP 94 Cb 1.36 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.37 2jwx h ASP 94 CO 0.59 0.03 0.00 1.33 -1.61 0.00 0.00 179.24 179.58 2jwx n VAL 95 N -3.24 0.00 -2.45 2.25 0.24 -1.26 -4.94 118.33 108.94 2jwx n VAL 95 Ca -0.02 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.89 2jwx n VAL 95 Cb 0.19 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.52 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 0.61 3.44 0.53 1.34 -4.36 -1.26 -4.84 121.20 116.66 2jwx s ILE 96 Ca 0.00 1.37 0.26 0.00 -0.26 0.00 0.00 60.65 62.02 2jwx s ILE 96 Cb 0.00 -3.84 0.40 0.00 1.25 0.00 0.00 42.46 40.27 2jwx s ILE 96 CO 0.00 0.27 1.99 -0.61 0.24 0.00 0.00 174.94 176.83 2jwx h GLN 97 N 3.47 0.00 -0.29 0.37 5.75 -1.44 0.20 115.11 123.18 2jwx h GLN 97 Ca -0.47 0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.09 2jwx h GLN 97 Cb 1.22 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.70 2jwx h GLN 97 CO 0.66 0.00 -0.16 0.00 -2.65 0.00 0.00 178.83 176.67 2jwx h ALA 98 N 1.72 0.05 0.10 3.38 0.00 -0.65 -1.91 119.26 121.94 2jwx h ALA 98 Ca 0.25 0.11 -0.27 0.00 0.00 0.00 0.00 54.91 55.00 2jwx h ALA 98 Cb 1.04 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 2jwx h ALA 98 CO -0.00 -0.56 -1.23 1.25 0.00 0.00 0.00 179.25 178.70 2jwx h LEU 99 N -0.13 0.34 -0.94 0.00 5.85 -0.96 -1.78 115.31 117.68 2jwx h LEU 99 Ca 0.15 -0.37 -0.11 0.00 0.84 0.00 0.00 57.88 58.39 2jwx h LEU 99 Cb 0.36 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2jwx h LEU 99 CO -0.37 1.29 -0.40 -0.78 -0.34 0.00 0.00 178.44 177.85 2jwx h ASP 100 N 0.06 0.28 0.23 1.25 3.58 -0.75 -2.02 116.42 119.05 2jwx h ASP 100 Ca -0.12 -0.12 -0.34 0.00 0.42 0.00 0.00 57.03 56.87 2jwx h ASP 100 Cb 1.94 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 42.88 2jwx h ASP 100 CO 0.18 0.66 -1.93 0.18 -2.88 0.00 0.00 179.24 175.45 2jwx n LEU 101 N -4.04 2.06 -0.06 2.28 4.77 -0.74 -3.14 117.00 118.14 2jwx n LEU 101 Ca -0.01 0.26 -0.11 0.00 -0.03 0.00 0.00 56.01 56.11 2jwx n LEU 101 Cb 0.47 -0.69 0.03 0.00 -2.33 0.00 0.00 43.42 40.90 2jwx n LEU 101 CO 0.42 0.71 0.54 0.77 -1.33 0.00 0.00 177.39 178.49 2jwx h SER 102 N 0.05 0.82 0.15 -1.43 4.64 -0.94 -2.47 113.55 114.37 2jwx h SER 102 Ca -0.39 -0.39 0.01 0.00 -0.47 0.00 0.00 61.79 60.55 2jwx h SER 102 Cb 2.03 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.87 2jwx h SER 102 CO 0.08 1.14 -0.19 0.58 -0.87 0.00 0.00 176.83 177.57 2jwx h VAL 103 N 0.61 0.58 0.00 0.95 2.07 -1.63 0.22 116.25 119.05 2jwx h VAL 103 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2jwx h VAL 103 Cb 1.00 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2jwx h VAL 103 CO 0.10 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.88 2jwx n PRO 104 N -5.32 0.06 0.00 1.57 -0.04 -1.21 -0.23 135.00 129.83 2jwx n PRO 104 Ca -0.07 0.30 0.13 0.00 -0.04 0.00 0.00 63.50 63.81 2jwx n PRO 104 Cb 0.23 -1.61 0.31 0.00 -0.04 0.00 0.00 33.50 32.38 2jwx n PRO 104 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2jwx n LEU 105 N -1.73 1.18 -4.73 1.53 7.94 -0.42 -4.68 117.00 116.10 2jwx n LEU 105 Ca 0.03 -0.34 -0.23 0.00 -1.11 0.00 0.00 56.01 54.36 2jwx n LEU 105 Cb 0.19 -0.10 -0.07 0.00 0.53 0.00 0.00 43.42 43.97 2jwx n LEU 105 CO 0.16 0.22 -0.20 0.00 -1.11 0.00 0.00 177.39 176.46 2jwx s MET 106 N -2.52 2.33 0.24 1.96 0.23 0.68 -5.03 119.30 117.20 2jwx s MET 106 Ca 0.23 -1.61 0.06 0.00 -1.03 0.00 0.00 55.69 53.34 2jwx s MET 106 Cb 0.19 -2.13 -0.03 0.00 -1.53 0.00 0.00 34.83 31.32 2jwx s MET 106 CO 0.54 0.07 0.30 -0.51 -2.03 0.00 0.00 175.02 173.39 2jwx s ASP 107 N -3.85 6.05 0.02 -1.18 1.11 -1.26 -4.60 116.67 112.95 2jwx s ASP 107 Ca 0.38 -0.04 -0.30 0.00 0.18 0.00 0.00 52.55 52.77 2jwx s ASP 107 Cb -0.01 -1.71 -0.05 0.00 1.07 0.00 0.00 42.92 42.22 2jwx s ASP 107 CO 0.22 -0.06 1.33 -0.69 1.18 0.00 0.00 175.17 177.16 2jwx s VAL 108 N -2.03 3.81 0.00 -1.27 1.01 -0.00 -1.85 120.40 120.07 2jwx s VAL 108 Ca 0.34 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.54 2jwx s VAL 108 Cb -0.09 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2jwx s VAL 108 CO 0.28 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2jwx n GLY 109 N 3.50 0.56 3.86 4.51 0.00 0.86 -4.31 105.19 114.17 2jwx n GLY 109 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.67 3.88 -0.21 1.61 2.12 -0.77 -4.42 118.70 120.24 2jwx s GLU 110 Ca 0.00 0.67 -0.02 0.00 0.36 0.00 0.00 54.97 55.98 2jwx s GLU 110 Cb 0.00 -2.31 0.06 0.00 0.26 0.00 0.00 34.13 32.14 2jwx s GLU 110 CO 0.00 -0.08 0.02 0.99 -0.54 0.00 0.00 175.26 175.65 2jwx s THR 111 N -2.39 0.74 -0.04 -1.70 2.01 0.74 -2.59 115.64 112.41 2jwx s THR 111 Ca 0.54 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.84 2jwx s THR 111 Cb -0.10 -1.22 -0.00 0.00 0.01 0.00 0.00 72.50 71.18 2jwx s THR 111 CO 0.29 -0.22 -0.17 0.00 -0.69 0.00 0.00 174.62 173.83 2jwx s ALA 112 N 1.75 1.50 -0.29 7.40 0.00 -0.88 -1.28 121.76 129.96 2jwx s ALA 112 Ca -0.01 -0.68 -0.16 0.00 0.00 0.00 0.00 51.96 51.10 2jwx s ALA 112 Cb -0.17 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 2jwx s ALA 112 CO -0.09 0.28 0.41 1.41 0.00 0.00 0.00 175.76 177.78 2jwx s MET 113 N 0.01 3.89 -0.23 0.00 -2.45 -0.41 -0.33 119.30 119.77 2jwx s MET 113 Ca -0.03 -0.02 -0.01 0.00 -1.25 0.00 0.00 55.69 54.38 2jwx s MET 113 Cb -0.11 -3.70 0.02 0.00 1.25 0.00 0.00 34.83 32.29 2jwx s MET 113 CO 0.02 -0.38 -0.10 0.08 1.05 0.00 0.00 175.02 175.69 2jwx s VAL 114 N 2.15 2.68 -0.40 10.11 1.01 0.70 -0.40 120.40 136.25 2jwx s VAL 114 Ca 0.16 -0.98 -0.22 0.00 0.00 0.00 0.00 61.98 60.94 2jwx s VAL 114 Cb -0.16 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.93 2jwx s VAL 114 CO 0.11 0.29 0.69 0.42 0.00 0.00 0.00 175.10 176.61 2jwx s THR 115 N 1.32 4.79 -0.05 3.92 -4.23 0.76 -0.01 115.64 122.15 2jwx s THR 115 Ca 0.01 0.45 0.01 0.00 -1.18 0.00 0.00 61.69 60.98 2jwx s THR 115 Cb -0.16 -4.19 0.02 0.00 1.34 0.00 0.00 72.50 69.51 2jwx s THR 115 CO -0.06 -0.51 -0.04 0.00 -0.54 0.00 0.00 174.62 173.47 2jwx s ALA 116 N 2.94 0.67 0.81 3.99 0.00 0.06 0.02 121.76 130.25 2jwx s ALA 116 Ca 0.26 -0.06 -0.15 0.00 0.00 0.00 0.00 51.96 52.01 2jwx s ALA 116 Cb -0.14 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.53 2jwx s ALA 116 CO 0.18 -0.08 0.65 -3.47 0.00 0.00 0.00 175.76 173.03 2jwx n ASP 117 N 4.21 -0.95 0.25 0.00 -0.08 -0.75 0.07 116.55 119.30 2jwx n ASP 117 Ca -0.22 0.51 0.10 0.00 -1.51 0.00 0.00 54.79 53.67 2jwx n ASP 117 Cb 0.51 -1.28 0.63 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 -0.84 0.00 0.05 1.67 0.87 -1.51 0.38 113.55 114.18 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 1.32 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2jwx h SER 118 CO 0.41 0.16 -0.01 0.07 -0.53 0.00 0.00 176.83 176.93 2jwx h LYS 119 N 0.00 0.00 -0.20 2.24 2.10 -1.86 1.68 116.57 120.53 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 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2jwx h LYS 119 CO 0.02 0.01 0.00 0.66 -2.00 0.00 0.00 179.45 178.14 2jwx n TYR 120 N -3.48 0.24 0.00 0.07 4.02 0.12 -4.73 117.16 113.40 2jwx n TYR 120 Ca -0.03 -0.12 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 2jwx n TYR 120 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 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 -1.51 0.00 0.25 0.00 4.01 0.38 -4.56 117.16 115.72 2jwx n TYR 122 Ca 0.00 -0.03 -0.12 0.00 -0.16 0.00 0.00 57.90 57.59 2jwx n TYR 122 Cb 0.00 -0.05 -0.06 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 -0.93 -1.64 2.72 0.00 0.17 0.21 103.07 103.60 2jwx h GLY 123 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2jwx h GLY 123 CO 0.00 -0.32 0.00 -1.55 0.00 0.00 0.00 176.54 174.67 2jwx n PRO 124 N -4.18 2.14 0.00 4.80 -0.04 -1.26 -4.50 135.00 131.97 2jwx n PRO 124 Ca -0.09 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.87 2jwx n PRO 124 Cb 0.30 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.63 0.00 -0.57 0.54 6.02 -1.09 -5.14 117.38 117.76 2jwx n GLN 125 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 2jwx n GLN 125 Cb 0.41 -0.58 0.00 0.00 1.02 0.00 0.00 30.24 31.09 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 3.05 -3.54 3.95 1.08 0.00 0.72 -4.98 105.19 105.46 2jwx n GLY 126 Ca 0.00 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.67 6.01 0.28 1.61 0.15 -1.20 -4.85 113.70 113.03 2jwx s SER 127 Ca 0.00 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2jwx s SER 127 Cb 0.00 -1.73 0.52 0.00 -1.71 0.00 0.00 66.02 63.10 2jwx s SER 127 CO 0.00 -0.56 1.85 0.08 1.20 0.00 0.00 173.24 175.81 2jwx h ARG 128 N 0.50 1.01 0.00 5.44 0.11 -2.01 -3.37 114.38 116.08 2jwx h ARG 128 Ca -0.47 -0.06 -0.07 0.00 0.10 0.00 0.00 59.98 59.48 2jwx h ARG 128 Cb 1.24 -0.23 -0.01 0.00 1.11 0.00 0.00 29.97 32.08 2jwx h ARG 128 CO 0.59 0.67 -0.85 0.45 0.10 0.00 0.00 179.97 180.93 2jwx n SER 129 N -4.58 1.01 -4.39 0.08 2.88 -1.26 -4.97 113.62 102.39 2jwx n SER 129 Ca 0.18 0.15 -0.40 0.00 -1.33 0.00 0.00 58.87 57.48 2jwx n SER 129 Cb 0.30 -0.36 -0.11 0.00 -0.75 0.00 0.00 64.21 63.28 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 -2.22 3.02 -0.29 -1.46 0.05 -1.26 -5.03 135.00 127.81 2jwx s PRO 130 Ca -0.10 -0.94 -0.28 0.00 0.05 0.00 0.00 61.00 59.73 2jwx s PRO 130 Cb 0.03 -3.64 -0.04 0.00 0.05 0.00 0.00 34.50 30.90 2jwx s PRO 130 CO 0.14 -0.58 2.05 -0.47 0.05 0.00 0.00 177.00 178.19 2jwx s TYR 131 N 1.57 1.43 -0.37 0.56 5.04 -1.26 -3.21 117.35 121.10 2jwx s TYR 131 Ca 0.03 0.63 -0.28 0.00 -2.44 0.00 0.00 57.07 55.01 2jwx s TYR 131 Cb -0.18 -3.99 0.02 0.00 0.35 0.00 0.00 41.96 38.15 2jwx s TYR 131 CO 0.06 -3.51 1.07 0.42 -1.34 0.00 0.00 175.55 172.25 2jwx s ILE 132 N 7.96 4.44 -0.42 3.14 -1.09 -1.26 -4.85 121.20 129.11 2jwx s ILE 132 Ca 0.91 1.49 -0.38 0.00 -2.23 0.00 0.00 60.65 60.45 2jwx s ILE 132 Cb -0.27 -4.45 -0.16 0.00 -1.58 0.00 0.00 42.46 35.99 2jwx s ILE 132 CO 0.34 -0.64 1.77 -2.65 -1.23 0.00 0.00 174.94 172.52 2jwx n PRO 133 N 7.13 0.00 -1.66 2.79 -0.02 -1.26 -4.35 135.00 137.63 2jwx n PRO 133 Ca 0.11 0.00 -0.48 0.00 -2.02 0.00 0.00 63.50 61.11 2jwx n PRO 133 Cb 0.48 -1.27 -0.05 0.00 -0.02 0.00 0.00 33.50 32.64 2jwx n PRO 133 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2jwx n PRO 134 N 6.05 1.89 -0.69 0.52 -0.02 -1.26 0.46 135.00 141.94 2jwx n PRO 134 Ca 0.45 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.61 2jwx n PRO 134 Cb -0.04 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.01 2jwx n PRO 134 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2jwx n HIS 135 N 3.92 0.00 -1.76 6.00 -0.00 -1.26 -4.91 115.22 117.21 2jwx n HIS 135 Ca 0.19 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.48 2jwx n HIS 135 Cb 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.22 2jwx n HIS 135 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jwx s ALA 136 N -3.23 3.28 -0.34 1.57 0.00 0.17 -4.17 121.76 119.05 2jwx s ALA 136 Ca 0.00 0.98 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 2jwx s ALA 136 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2jwx s ALA 136 CO 0.00 -1.98 1.36 0.00 0.00 0.00 0.00 175.76 175.14 2jwx s ALA 137 N 5.66 3.23 0.70 0.00 0.00 -1.26 -1.78 121.76 128.31 2jwx s ALA 137 Ca 0.88 0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 2jwx s ALA 137 Cb -0.36 -3.85 0.01 0.00 0.00 0.00 0.00 23.12 18.93 2jwx s ALA 137 CO 0.36 -2.03 1.07 -0.51 0.00 0.00 0.00 175.76 174.66 2jwx s LEU 138 N 4.83 2.97 -0.28 0.00 1.43 0.11 -0.83 118.68 126.92 2jwx s LEU 138 Ca 0.59 1.37 -0.04 0.00 -1.03 0.00 0.00 54.13 55.03 2jwx s LEU 138 Cb -0.16 -4.21 0.10 0.00 0.03 0.00 0.00 46.19 41.95 2jwx s LEU 138 CO 0.27 -1.40 0.12 0.00 0.23 0.00 0.00 176.35 175.57 2jwx s LEU 140 N 2.03 2.69 -0.34 0.00 2.34 0.99 0.31 118.68 126.70 2jwx s LEU 140 Ca 0.08 -0.45 -0.24 0.00 0.06 0.00 0.00 54.13 53.58 2jwx s LEU 140 Cb -0.16 -1.67 0.01 0.00 -0.56 0.00 0.00 46.19 43.81 2jwx s LEU 140 CO -0.32 -0.00 0.82 -0.70 -1.06 0.00 0.00 176.35 175.09 2jwx s GLU 141 N 1.35 3.86 -0.04 1.48 2.12 -1.02 -0.22 118.70 126.23 2jwx s GLU 141 Ca 0.04 0.49 0.01 0.00 0.36 0.00 0.00 54.97 55.87 2jwx s GLU 141 Cb -0.14 -3.78 -0.03 0.00 0.26 0.00 0.00 34.13 30.44 2jwx s GLU 141 CO -0.05 -0.81 -0.02 0.14 -0.54 0.00 0.00 175.26 173.98 2jwx s VAL 142 N 3.14 4.03 -0.31 3.70 -7.23 0.55 -1.84 120.40 122.45 2jwx s VAL 142 Ca 0.34 -0.50 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 2jwx s VAL 142 Cb -0.13 -2.73 0.07 0.00 0.56 0.00 0.00 36.38 34.14 2jwx s VAL 142 CO 0.16 0.49 0.01 -0.89 -0.31 0.00 0.00 175.10 174.55 2jwx s THR 143 N -0.96 2.72 -0.25 5.32 2.01 0.11 -2.08 115.64 122.51 2jwx s THR 143 Ca 0.16 -1.67 -0.23 0.00 0.31 0.00 0.00 61.69 60.26 2jwx s THR 143 Cb -0.11 -2.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.71 2jwx s THR 143 CO 0.06 -0.23 0.74 -0.22 -0.69 0.00 0.00 174.62 174.28 2jwx s LEU 144 N 1.15 4.07 -0.01 4.42 0.20 -1.07 -0.37 118.68 127.08 2jwx s LEU 144 Ca -0.02 0.89 0.01 0.00 0.69 0.00 0.00 54.13 55.71 2jwx s LEU 144 Cb -0.20 -3.04 -0.02 0.00 -0.43 0.00 0.00 46.19 42.50 2jwx s LEU 144 CO -0.03 -0.45 0.02 2.29 -0.29 0.00 0.00 176.35 177.89 2jwx n LYS 145 N 5.85 1.23 -3.72 1.98 2.85 -1.00 -0.10 118.16 125.27 2jwx n LYS 145 Ca 0.03 -0.01 -0.12 0.00 -1.05 0.00 0.00 58.31 57.16 2jwx n LYS 145 Cb 0.48 -1.03 -0.10 0.00 -0.65 0.00 0.00 35.03 33.73 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 -2.08 -0.01 -0.14 0.58 2.01 -1.25 -4.87 115.64 109.89 2jwx s THR 146 Ca -0.01 0.03 -0.05 0.00 0.31 0.00 0.00 61.69 61.97 2jwx s THR 146 Cb 0.01 -0.60 0.07 0.00 0.01 0.00 0.00 72.50 71.98 2jwx s THR 146 CO 0.06 0.01 0.29 0.00 -0.69 0.00 0.00 174.62 174.29 2jwx s ALA 147 N 0.61 -0.67 0.05 7.40 0.00 -1.25 -1.93 121.76 125.98 2jwx s ALA 147 Ca -0.03 1.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.82 2jwx s ALA 147 Cb -0.05 -1.04 0.03 0.00 0.00 0.00 0.00 23.12 22.06 2jwx s ALA 147 CO -0.04 -0.61 0.35 0.14 0.00 0.00 0.00 175.76 175.60 2jwx s VAL 148 N 2.33 0.07 -0.21 0.00 -7.23 -0.83 -4.43 120.40 110.11 2jwx s VAL 148 Ca -0.00 -0.60 -0.29 0.00 -1.81 0.00 0.00 61.98 59.27 2jwx s VAL 148 Cb -0.12 -0.98 -0.01 0.00 0.56 0.00 0.00 36.38 35.83 2jwx s VAL 148 CO -0.09 -0.33 1.29 -0.62 -0.31 0.00 0.00 175.10 175.03 2jwx s ASP 149 N -2.15 6.84 0.00 4.85 2.15 -1.26 0.20 116.67 127.30 2jwx s ASP 149 Ca -0.04 1.55 0.04 0.00 0.43 0.00 0.00 52.55 54.53 2jwx s ASP 149 Cb -0.00 -2.54 0.07 0.00 -0.30 0.00 0.00 42.92 40.15 2jwx s ASP 149 CO -0.04 -0.88 0.90 0.18 -0.17 0.00 0.00 175.17 175.16 2jwx n LEU 150 N 6.98 0.08 0.00 -1.34 4.77 -1.22 -4.89 117.00 121.38 2jwx n LEU 150 Ca 0.14 -1.26 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 2jwx n LEU 150 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2jwx n LEU 150 CO 0.58 0.60 0.36 1.21 -1.33 0.00 0.00 177.39 178.81 2jwx n GLU 151 N 0.09 0.00 -2.92 3.23 0.00 -0.73 -4.90 120.64 115.41 2jwx n GLU 151 Ca -0.02 0.49 -0.06 0.00 0.00 0.00 0.00 57.16 57.58 2jwx n GLU 151 Cb 0.72 -1.35 0.01 0.00 0.00 0.00 0.00 31.44 30.82 2jwx n GLU 151 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2jwx n HIS 152 N -1.97 -3.34 -1.87 4.31 8.25 -1.26 -4.86 115.22 114.48 2jwx n HIS 152 Ca 0.00 1.33 -0.40 0.00 -0.26 0.00 0.00 57.72 58.38 2jwx n HIS 152 Cb 0.00 -4.09 -0.01 0.00 1.12 0.00 0.00 29.99 27.01 2jwx n HIS 152 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jwx n HIS 153 N -0.75 2.70 -3.64 4.41 1.44 -1.26 -4.81 115.22 113.32 2jwx n HIS 153 Ca 0.08 -2.90 -0.08 0.00 -2.01 0.00 0.00 57.72 52.82 2jwx n HIS 153 Cb 0.47 -2.08 -0.07 0.00 0.12 0.00 0.00 29.99 28.44 2jwx n HIS 153 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2jwx s HIS 154 N 0.33 -0.35 0.22 -1.40 2.46 -1.26 -5.18 115.29 110.11 2jwx s HIS 154 Ca 0.54 0.85 0.06 0.00 0.47 0.00 0.00 55.06 56.98 2jwx s HIS 154 Cb 0.16 0.40 -0.04 0.00 -0.13 0.00 0.00 32.58 32.98 2jwx s HIS 154 CO -0.07 -0.18 0.21 -1.01 -2.47 0.00 0.00 174.74 171.22 2jwx s HIS 155 N 0.08 3.19 0.01 3.88 3.76 -1.26 -5.13 115.29 119.83 2jwx s HIS 155 Ca 0.04 -0.06 0.01 0.00 -0.15 0.00 0.00 55.06 54.90 2jwx s HIS 155 Cb -0.05 -1.47 -0.01 0.00 1.11 0.00 0.00 32.58 32.16 2jwx s HIS 155 CO -0.08 0.51 -0.03 -1.58 -0.85 0.00 0.00 174.74 172.71 2jwx s HIS 156 N -1.98 0.28 -2.94 1.40 5.04 -1.26 -5.30 115.29 110.54 2jwx s HIS 156 Ca 0.33 -0.25 0.23 0.00 -1.54 0.00 0.00 55.06 53.83 2jwx s HIS 156 Cb -0.09 -0.18 0.19 0.00 0.04 0.00 0.00 32.58 32.54 2jwx s HIS 156 CO 0.25 -0.07 1.24 0.72 -2.34 0.00 0.00 174.74 174.55