#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 1.15 3.84 3.03 0.00 -1.26 -5.13 105.19 106.82 2jwx n GLY 2 Ca 0.00 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.06 3.73 -0.21 1.61 0.74 -1.26 -5.03 119.66 119.18 2jwx s GLN 3 Ca 0.33 0.03 -0.31 0.00 0.05 0.00 0.00 55.36 55.47 2jwx s GLN 3 Cb 0.21 -3.25 -0.08 0.00 1.10 0.00 0.00 33.01 30.99 2jwx s GLN 3 CO -0.19 0.65 2.15 -2.30 -0.55 0.00 0.00 175.29 175.05 2jwx n PRO 4 N 2.26 1.85 -1.75 1.67 -0.02 -1.26 -4.89 135.00 132.86 2jwx n PRO 4 Ca -0.17 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 2jwx n PRO 4 Cb 0.54 -2.95 -0.03 0.00 -0.02 0.00 0.00 33.50 31.04 2jwx n PRO 4 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2jwx s PRO 5 N 5.86 4.15 -1.48 0.52 0.02 -1.26 -1.67 135.00 141.14 2jwx s PRO 5 Ca 1.01 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.57 2jwx s PRO 5 Cb -0.52 -3.83 0.00 0.00 0.02 0.00 0.00 34.50 30.17 2jwx s PRO 5 CO 0.42 -0.87 0.00 0.00 -0.33 0.00 0.00 177.00 176.21 2jwx n ALA 6 N 6.46 -0.21 -2.92 -1.55 0.00 -1.26 -2.74 120.51 118.28 2jwx n ALA 6 Ca 0.18 0.23 -0.05 0.00 0.00 0.00 0.00 53.44 53.80 2jwx n ALA 6 Cb 0.40 -1.78 0.02 0.00 0.00 0.00 0.00 19.45 18.09 2jwx n ALA 6 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jwx n GLU 7 N -1.60 -1.45 0.00 0.00 4.07 -0.67 -3.89 120.64 117.10 2jwx n GLU 7 Ca -0.14 1.14 0.00 0.00 -0.06 0.00 0.00 57.16 58.10 2jwx n GLU 7 Cb 0.58 -5.24 0.00 0.00 -0.06 0.00 0.00 31.44 26.73 2jwx n GLU 7 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2jwx n GLU 8 N -2.17 0.00 -4.21 5.31 4.71 -1.11 -4.76 120.64 118.40 2jwx n GLU 8 Ca -0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.16 56.96 2jwx n GLU 8 Cb 0.54 0.00 -0.07 0.00 -1.01 0.00 0.00 31.44 30.90 2jwx n GLU 8 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jwx s ALA 9 N 0.00 1.43 0.00 0.62 0.00 -1.25 -4.78 121.76 117.78 2jwx s ALA 9 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.11 2jwx s ALA 9 Cb 0.00 1.37 0.00 0.00 0.00 0.00 0.00 23.12 24.49 2jwx s ALA 9 CO 0.00 -0.69 0.00 -1.91 0.00 0.00 0.00 175.76 173.16 2jwx n GLU 10 N -0.55 0.00 0.34 0.00 2.13 -1.26 -4.73 120.64 116.57 2jwx n GLU 10 Ca 0.05 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.70 2jwx n GLU 10 Cb 0.63 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.25 2jwx n GLU 10 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2jwx h GLN 11 N 0.00 -0.82 0.00 5.31 1.08 -1.76 -3.08 115.11 115.85 2jwx h GLN 11 Ca 0.00 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2jwx h GLN 11 Cb 0.00 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2jwx h GLN 11 CO 0.00 -0.51 -0.30 -1.00 -0.95 0.00 0.00 178.83 176.06 2jwx h PRO 12 N -0.94 0.00 -1.22 1.46 0.14 -1.79 -3.46 132.00 126.19 2jwx h PRO 12 Ca -0.09 0.00 -0.41 0.00 0.14 0.00 0.00 66.00 65.65 2jwx h PRO 12 Cb 0.68 0.00 -0.14 0.00 0.14 0.00 0.00 31.00 31.68 2jwx h PRO 12 CO 0.14 0.00 -0.39 0.41 0.14 0.00 0.00 178.00 178.30 2jwx n GLY 13 N 1.17 1.57 0.38 1.56 0.00 -1.16 -4.86 105.19 103.85 2jwx n GLY 13 Ca 0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 0.89 1.46 0.00 4.61 0.00 -1.26 -4.87 120.51 121.33 2jwx n ALA 14 Ca -0.20 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2jwx n ALA 14 Cb 0.66 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.19 2jwx n ALA 14 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jwx n LEU 15 N -3.91 0.00 -4.80 0.00 0.00 -1.26 -4.83 117.00 102.20 2jwx n LEU 15 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 56.01 55.62 2jwx n LEU 15 Cb 0.30 0.24 0.07 0.00 0.00 0.00 0.00 43.42 44.03 2jwx n LEU 15 CO 0.12 -0.24 0.71 0.00 0.00 0.00 0.00 177.39 177.98 2jwx s ALA 16 N -1.77 2.49 0.00 1.96 0.00 -1.26 -4.45 121.76 118.74 2jwx s ALA 16 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.13 2jwx s ALA 16 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2jwx s ALA 16 CO 0.00 -1.46 0.17 0.54 0.00 0.00 0.00 175.76 175.01 2jwx n ARG 17 N -3.30 0.00 0.00 0.00 5.12 -1.26 -4.20 116.66 113.02 2jwx n ARG 17 Ca 0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 2jwx n ARG 17 Cb 0.53 -0.60 0.00 0.00 -1.16 0.00 0.00 32.46 31.23 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 -0.35 3.91 0.00 5.56 4.71 -1.26 -2.64 120.64 130.57 2jwx n GLU 18 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2jwx n GLU 18 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 2jwx n GLU 18 CO 0.00 0.00 0.00 1.97 0.09 0.00 0.00 177.13 179.19 2jwx n PHE 19 N 0.00 0.00 1.34 -0.32 1.16 -1.06 -4.69 117.46 113.89 2jwx n PHE 19 Ca 0.00 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.72 2jwx n PHE 19 Cb 0.00 0.00 0.54 0.00 -1.61 0.00 0.00 39.48 38.41 2jwx n PHE 19 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2jwx n LEU 20 N 0.00 0.58 -4.12 5.98 4.77 -0.99 -4.79 117.00 118.43 2jwx n LEU 20 Ca 0.00 -0.04 -0.24 0.00 -0.03 0.00 0.00 56.01 55.70 2jwx n LEU 20 Cb 0.00 -0.18 -0.16 0.00 -2.33 0.00 0.00 43.42 40.75 2jwx n LEU 20 CO 0.00 0.11 -0.49 0.00 -1.33 0.00 0.00 177.39 175.68 2jwx s ALA 21 N -2.52 1.36 0.06 -1.18 0.00 -1.26 -5.05 121.76 113.17 2jwx s ALA 21 Ca 0.27 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2jwx s ALA 21 Cb 0.20 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2jwx s ALA 21 CO 0.50 0.28 0.00 0.00 0.00 0.00 0.00 175.76 176.53 2jwx n ALA 22 N 2.98 -0.69 -1.11 0.00 0.00 -1.26 -3.99 120.51 116.44 2jwx n ALA 22 Ca -0.17 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2jwx n ALA 22 Cb 0.54 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.75 2jwx n ALA 22 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2jwx n MET 23 N -2.01 0.00 -1.08 0.00 0.00 -1.26 -4.99 117.12 107.78 2jwx n MET 23 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 57.70 57.84 2jwx n MET 23 Cb 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.29 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 -0.19 -2.32 -0.69 0.03 -0.58 -1.26 -4.84 120.64 110.79 2jwx n GLU 24 Ca 0.00 1.71 -0.29 0.00 -0.42 0.00 0.00 57.16 58.16 2jwx n GLU 24 Cb 0.00 -2.78 0.22 0.00 -0.57 0.00 0.00 31.44 28.31 2jwx n GLU 24 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2jwx s PRO 25 N -2.81 -0.22 -0.12 3.49 0.02 -1.26 -4.91 135.00 129.20 2jwx s PRO 25 Ca 0.00 0.96 -0.29 0.00 0.02 0.00 0.00 61.00 61.69 2jwx s PRO 25 Cb 0.00 -1.63 -0.05 0.00 0.02 0.00 0.00 34.50 32.84 2jwx s PRO 25 CO 0.00 -3.29 1.72 -2.00 -0.33 0.00 0.00 177.00 173.11 2jwx s GLU 26 N -4.59 3.95 -0.36 5.54 2.12 -1.26 -4.97 118.70 119.14 2jwx s GLU 26 Ca 0.67 2.04 -0.13 0.00 0.36 0.00 0.00 54.97 57.91 2jwx s GLU 26 Cb -0.23 -4.06 -0.00 0.00 0.26 0.00 0.00 34.13 30.10 2jwx s GLU 26 CO 0.62 -1.12 0.25 -1.25 -0.54 0.00 0.00 175.26 173.22 2jwx s PRO 27 N 4.50 3.30 -0.38 4.30 0.04 -1.26 -5.06 135.00 140.44 2jwx s PRO 27 Ca 0.77 -0.78 -0.28 0.00 0.04 0.00 0.00 61.00 60.75 2jwx s PRO 27 Cb -0.31 -3.85 0.02 0.00 0.04 0.00 0.00 34.50 30.40 2jwx s PRO 27 CO 0.31 -0.55 1.04 0.00 0.04 0.00 0.00 177.00 177.84 2jwx s ALA 28 N 1.70 3.37 0.93 8.56 0.00 -1.26 -4.79 121.76 130.27 2jwx s ALA 28 Ca 0.06 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 51.59 2jwx s ALA 28 Cb -0.18 -3.68 0.15 0.00 0.00 0.00 0.00 23.12 19.41 2jwx s ALA 28 CO 0.10 -1.74 1.10 -2.14 0.00 0.00 0.00 175.76 173.08 2jwx s PRO 29 N 3.80 0.95 -0.80 0.00 0.02 -1.26 -5.01 135.00 132.71 2jwx s PRO 29 Ca 0.43 1.12 0.02 0.00 0.02 0.00 0.00 61.00 62.60 2jwx s PRO 29 Cb -0.11 -1.75 0.23 0.00 0.02 0.00 0.00 34.50 32.89 2jwx s PRO 29 CO 0.21 -2.54 0.79 0.00 -0.33 0.00 0.00 177.00 175.13 2jwx n ALA 30 N -4.13 3.96 -0.35 -1.55 0.00 -1.26 -4.94 120.51 112.25 2jwx n ALA 30 Ca 0.08 -4.66 -0.05 0.00 0.00 0.00 0.00 53.44 48.81 2jwx n ALA 30 Cb 0.54 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.56 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 1.65 0.73 -3.32 0.00 -0.04 -1.26 -4.76 135.00 128.01 2jwx n PRO 31 Ca 0.24 -0.41 -0.39 0.00 -0.04 0.00 0.00 63.50 62.90 2jwx n PRO 31 Cb 0.37 -1.72 -0.08 0.00 -0.04 0.00 0.00 33.50 32.03 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 2.46 3.57 -0.02 0.55 0.00 -1.26 -5.01 121.76 122.06 2jwx s ALA 32 Ca 0.23 -0.67 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 2jwx s ALA 32 Cb 0.11 -2.78 -0.07 0.00 0.00 0.00 0.00 23.12 20.38 2jwx s ALA 32 CO -0.00 -0.63 1.80 -1.25 0.00 0.00 0.00 175.76 175.67 2jwx s PRO 33 N 2.05 4.13 0.00 0.00 0.04 -1.26 -2.59 135.00 137.37 2jwx s PRO 33 Ca 0.19 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.58 2jwx s PRO 33 Cb -0.16 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.31 2jwx s PRO 33 CO 0.09 -0.93 0.00 0.39 0.04 0.00 0.00 177.00 176.59 2jwx n GLU 34 N 7.35 -0.77 -3.25 4.56 -0.58 -1.26 -4.93 120.64 121.76 2jwx n GLU 34 Ca 0.19 0.19 -0.46 0.00 -0.42 0.00 0.00 57.16 56.66 2jwx n GLU 34 Cb 0.42 -3.88 -0.02 0.00 -0.57 0.00 0.00 31.44 27.40 2jwx n GLU 34 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2jwx s GLU 35 N -0.88 3.70 0.12 3.49 0.41 -1.07 -5.03 118.70 119.44 2jwx s GLU 35 Ca 0.00 -2.45 -0.35 0.00 -0.41 0.00 0.00 54.97 51.76 2jwx s GLU 35 Cb 0.00 -4.55 -0.16 0.00 -1.78 0.00 0.00 34.13 27.64 2jwx s GLU 35 CO 0.00 -1.38 1.31 0.91 -0.49 0.00 0.00 175.26 175.62 2jwx n TRP 36 N 4.28 1.53 -3.74 1.61 7.02 -1.26 -4.72 117.44 122.17 2jwx n TRP 36 Ca 0.18 0.61 -0.36 0.00 -1.02 0.00 0.00 57.50 56.90 2jwx n TRP 36 Cb 0.46 -2.34 -0.11 0.00 -2.42 0.00 0.00 31.31 26.91 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 0.55 3.83 -0.75 -0.99 2.96 -0.45 -4.88 118.68 118.94 2jwx s LEU 37 Ca 0.80 -0.02 -0.26 0.00 -0.22 0.00 0.00 54.13 54.43 2jwx s LEU 37 Cb -0.90 -2.03 0.03 0.00 0.50 0.00 0.00 46.19 43.80 2jwx s LEU 37 CO 0.48 0.03 1.27 -0.62 -1.32 0.00 0.00 176.35 176.18 2jwx s ASP 38 N 1.27 6.18 0.17 3.68 -1.08 -1.26 -1.64 116.67 123.99 2jwx s ASP 38 Ca 0.06 -0.55 -0.17 0.00 -0.52 0.00 0.00 52.55 51.36 2jwx s ASP 38 Cb -0.14 -2.55 0.09 0.00 -1.46 0.00 0.00 42.92 38.85 2jwx s ASP 38 CO 0.05 -1.79 1.66 0.40 0.52 0.00 0.00 175.17 176.01 2jwx h ILE 39 N 6.07 0.58 -0.02 4.11 2.04 -0.18 -1.52 117.51 128.60 2jwx h ILE 39 Ca -0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2jwx h ILE 39 Cb 1.05 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2jwx h ILE 39 CO 1.28 0.00 -0.39 0.18 0.00 0.00 0.00 178.15 179.22 2jwx n LEU 40 N -5.31 2.05 -1.76 1.44 7.99 -1.26 -4.89 117.00 115.26 2jwx n LEU 40 Ca 0.02 -0.79 -0.20 0.00 -0.01 0.00 0.00 56.01 55.03 2jwx n LEU 40 Cb 0.23 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.48 2jwx n LEU 40 CO 0.15 0.38 -0.21 0.61 -1.51 0.00 0.00 177.39 176.81 2jwx n GLY 41 N 1.34 1.15 0.12 -0.72 0.00 -0.57 -4.86 105.19 101.64 2jwx n GLY 41 Ca 0.09 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.00 -1.87 -3.48 115.58 111.85 2jwx h ASN 42 Ca -0.43 -0.02 0.00 0.00 -0.00 0.00 0.00 56.30 55.85 2jwx h ASN 42 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.63 2jwx h ASN 42 CO 0.58 0.01 0.00 0.61 -0.00 0.00 0.00 177.43 178.63 2jwx n GLY 43 N 1.19 3.11 0.07 9.14 0.00 -1.26 -4.79 105.19 112.65 2jwx n GLY 43 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 -7.80 0.99 -0.00 -1.92 -3.44 115.31 103.14 2jwx h LEU 44 Ca 0.00 0.00 -0.67 0.00 -0.00 0.00 0.00 57.88 57.21 2jwx h LEU 44 Cb 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 40.66 40.28 2jwx h LEU 44 CO 0.00 0.94 -0.72 -0.22 -0.00 0.00 0.00 178.44 178.44 2jwx s LEU 45 N -6.62 4.35 -0.02 1.67 1.98 -1.24 -1.88 118.68 116.92 2jwx s LEU 45 Ca 0.01 -1.82 0.01 0.00 -2.89 0.00 0.00 54.13 49.44 2jwx s LEU 45 Cb 0.10 -1.64 0.02 0.00 0.66 0.00 0.00 46.19 45.32 2jwx s LEU 45 CO 0.81 -0.33 -0.01 -0.13 -1.89 0.00 0.00 176.35 174.80 2jwx s ARG 46 N 1.03 0.24 -0.10 1.98 0.52 0.11 0.63 118.95 123.37 2jwx s ARG 46 Ca 0.03 0.03 -0.02 0.00 -0.52 0.00 0.00 55.73 55.25 2jwx s ARG 46 Cb -0.20 -0.37 -0.03 0.00 0.52 0.00 0.00 34.95 34.87 2jwx s ARG 46 CO -0.06 -0.08 -0.00 0.21 0.02 0.00 0.00 175.30 175.39 2jwx s LYS 47 N 0.67 3.12 -0.16 3.54 2.20 -0.65 -0.02 119.74 128.44 2jwx s LYS 47 Ca -0.07 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.13 2jwx s LYS 47 Cb -0.10 -2.82 0.02 0.00 -1.51 0.00 0.00 37.83 33.42 2jwx s LYS 47 CO -0.01 0.62 -0.18 0.21 -0.36 0.00 0.00 175.35 175.63 2jwx s LYS 48 N -0.65 2.68 -0.74 4.03 2.20 0.13 -1.34 119.74 126.05 2jwx s LYS 48 Ca 0.10 -0.71 -0.26 0.00 -0.36 0.00 0.00 55.97 54.74 2jwx s LYS 48 Cb -0.12 -2.33 -0.00 0.00 -1.51 0.00 0.00 37.83 33.88 2jwx s LYS 48 CO 0.02 -0.18 1.65 0.95 -0.36 0.00 0.00 175.35 177.43 2jwx s THR 49 N 1.27 3.54 -0.03 3.43 -4.23 -1.26 -1.63 115.64 116.74 2jwx s THR 49 Ca 0.02 0.08 -0.21 0.00 -1.18 0.00 0.00 61.69 60.41 2jwx s THR 49 Cb -0.13 -4.38 -0.14 0.00 1.34 0.00 0.00 72.50 69.19 2jwx s THR 49 CO -0.10 -1.33 0.90 -0.07 -0.54 0.00 0.00 174.62 173.49 2jwx h LEU 50 N 15.18 -0.35 -8.29 4.79 3.38 -1.76 -3.41 115.31 124.84 2jwx h LEU 50 Ca -0.17 -0.17 -0.67 0.00 0.09 0.00 0.00 57.88 56.96 2jwx h LEU 50 Cb 1.09 0.09 -0.32 0.00 0.09 0.00 0.00 40.66 41.61 2jwx h LEU 50 CO 1.26 0.11 -0.83 -0.69 0.09 0.00 0.00 178.44 178.38 2jwx s VAL 51 N -3.77 2.46 -0.15 1.22 1.01 -0.25 -5.00 120.40 115.92 2jwx s VAL 51 Ca -0.12 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 2jwx s VAL 51 Cb 0.01 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2jwx s VAL 51 CO 0.42 0.52 0.07 -2.16 0.00 0.00 0.00 175.10 173.95 2jwx s PRO 52 N 0.89 3.63 0.10 2.72 0.04 -1.26 -0.13 135.00 140.99 2jwx s PRO 52 Ca -0.04 -0.31 -0.31 0.00 0.04 0.00 0.00 61.00 60.38 2jwx s PRO 52 Cb -0.15 -3.11 -0.09 0.00 0.04 0.00 0.00 34.50 31.18 2jwx s PRO 52 CO -0.02 0.49 1.72 0.20 0.04 0.00 0.00 177.00 179.43 2jwx s GLY 53 N -0.23 1.46 0.12 0.56 0.00 -1.26 -4.78 107.32 103.19 2jwx s GLY 53 Ca 0.08 1.32 -0.35 0.00 0.00 0.00 0.00 44.72 45.77 2jwx s GLY 53 CO 0.01 2.98 1.36 -1.05 0.00 0.00 0.00 173.10 176.40 2jwx n PRO 54 N 5.50 1.39 -1.50 2.90 -0.02 -1.26 -4.58 135.00 137.42 2jwx n PRO 54 Ca 0.16 0.50 -0.35 0.00 -2.02 0.00 0.00 63.50 61.79 2jwx n PRO 54 Cb 0.39 -2.14 -0.17 0.00 -0.02 0.00 0.00 33.50 31.56 2jwx n PRO 54 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2jwx n PRO 55 N 2.54 0.05 0.00 0.52 -0.02 -1.26 -2.06 135.00 134.77 2jwx n PRO 55 Ca 0.17 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2jwx n PRO 55 Cb 0.22 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 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 6.21 1.21 6.39 -1.23 0.00 -1.26 -4.91 105.19 111.59 2jwx n GLY 56 Ca 0.65 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.65 1.61 7.64 -0.88 -2.55 113.62 115.80 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 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 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 -3.94 -0.90 -0.65 6.43 0.01 -1.26 -2.35 113.70 111.04 2jwx s SER 58 Ca 0.00 1.44 -0.03 0.00 1.31 0.00 0.00 55.95 58.68 2jwx s SER 58 Cb 0.00 1.36 0.17 0.00 0.21 0.00 0.00 66.02 67.76 2jwx s SER 58 CO 0.00 -0.23 0.47 -0.13 0.41 0.00 0.00 173.24 173.75 2jwx s ARG 59 N 1.68 2.62 0.42 12.44 1.81 -1.25 -0.54 118.95 136.12 2jwx s ARG 59 Ca -0.10 -2.61 -0.26 0.00 -1.72 0.00 0.00 55.73 51.04 2jwx s ARG 59 Cb -0.06 -3.74 -0.08 0.00 -0.45 0.00 0.00 34.95 30.62 2jwx s ARG 59 CO -0.19 -1.18 1.31 -1.25 -0.68 0.00 0.00 175.30 173.31 2jwx s PRO 60 N -0.20 3.91 0.08 3.54 0.04 -1.26 -4.56 135.00 136.54 2jwx s PRO 60 Ca 0.18 2.17 -0.11 0.00 0.04 0.00 0.00 61.00 63.28 2jwx s PRO 60 Cb -0.19 -2.72 -0.06 0.00 0.04 0.00 0.00 34.50 31.57 2jwx s PRO 60 CO -0.04 -0.55 0.42 0.08 0.04 0.00 0.00 177.00 176.95 2jwx s VAL 61 N -1.27 5.06 -0.67 -0.36 1.01 -1.26 -4.50 120.40 118.42 2jwx s VAL 61 Ca 0.58 0.52 -0.31 0.00 0.00 0.00 0.00 61.98 62.77 2jwx s VAL 61 Cb -0.38 -3.66 -0.15 0.00 0.00 0.00 0.00 36.38 32.19 2jwx s VAL 61 CO 0.49 0.30 2.47 0.29 0.00 0.00 0.00 175.10 178.66 2jwx n LYS 62 N 0.96 0.55 0.00 2.72 4.01 -1.26 -0.77 118.16 124.37 2jwx n LYS 62 Ca -0.08 0.06 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 2jwx n LYS 62 Cb 0.52 -2.31 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 6.42 0.77 3.78 0.72 0.00 0.14 -4.66 105.19 112.37 2jwx n GLY 63 Ca 0.51 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.14 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 4.42 -0.14 1.61 -1.52 0.05 -1.21 119.66 122.88 2jwx s GLN 64 Ca 0.00 0.98 -0.29 0.00 -1.95 0.00 0.00 55.36 54.10 2jwx s GLN 64 Cb 0.00 -3.27 -0.02 0.00 -0.22 0.00 0.00 33.01 29.50 2jwx s GLN 64 CO 0.00 0.54 1.21 0.14 -0.25 0.00 0.00 175.29 176.93 2jwx s VAL 65 N -0.93 4.35 -0.13 1.09 -7.23 0.10 -2.42 120.40 115.23 2jwx s VAL 65 Ca 0.34 1.64 0.01 0.00 -1.81 0.00 0.00 61.98 62.15 2jwx s VAL 65 Cb -0.21 -4.06 -0.01 0.00 0.56 0.00 0.00 36.38 32.66 2jwx s VAL 65 CO 0.23 -0.10 -0.16 0.68 -0.31 0.00 0.00 175.10 175.44 2jwx s VAL 66 N 3.05 2.76 -0.42 1.32 -7.23 -1.07 -1.47 120.40 117.33 2jwx s VAL 66 Ca 0.53 -0.76 -0.22 0.00 -1.81 0.00 0.00 61.98 59.72 2jwx s VAL 66 Cb -0.21 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.60 2jwx s VAL 66 CO 0.16 0.53 0.74 0.42 -0.31 0.00 0.00 175.10 176.63 2jwx s THR 67 N 0.47 4.73 -0.14 5.32 -4.23 -0.79 -2.35 115.64 118.65 2jwx s THR 67 Ca -0.11 0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 2jwx s THR 67 Cb -0.16 -4.25 -0.01 0.00 1.34 0.00 0.00 72.50 69.42 2jwx s THR 67 CO 0.05 -0.60 -0.14 0.68 -0.54 0.00 0.00 174.62 174.06 2jwx s VAL 68 N 3.10 2.86 -0.50 2.29 -7.23 0.75 -2.41 120.40 119.26 2jwx s VAL 68 Ca 0.28 -0.71 -0.26 0.00 -1.81 0.00 0.00 61.98 59.47 2jwx s VAL 68 Cb -0.13 -2.21 0.03 0.00 0.56 0.00 0.00 36.38 34.64 2jwx s VAL 68 CO 0.20 0.52 1.01 -2.28 -0.31 0.00 0.00 175.10 174.23 2jwx s HIS 69 N 0.59 2.82 -0.10 2.82 2.46 0.57 0.50 115.29 124.95 2jwx s HIS 69 Ca -0.08 0.35 0.03 0.00 0.47 0.00 0.00 55.06 55.82 2jwx s HIS 69 Cb -0.16 -4.16 0.01 0.00 -0.13 0.00 0.00 32.58 28.14 2jwx s HIS 69 CO 0.03 -1.26 -0.18 -0.48 -2.47 0.00 0.00 174.74 170.38 2jwx s LEU 70 N 4.10 1.87 -0.28 8.88 -0.00 -0.57 0.02 118.68 132.69 2jwx s LEU 70 Ca 0.38 -0.46 0.00 0.00 -0.00 0.00 0.00 54.13 54.05 2jwx s LEU 70 Cb -0.10 -1.18 0.05 0.00 -0.00 0.00 0.00 46.19 44.97 2jwx s LEU 70 CO 0.26 0.07 -0.05 -1.10 -0.00 0.00 0.00 176.35 175.53 2jwx s GLN 71 N 0.70 2.34 -0.16 1.48 1.11 -0.96 -0.40 119.66 123.77 2jwx s GLN 71 Ca -0.12 -1.31 -0.16 0.00 0.01 0.00 0.00 55.36 53.78 2jwx s GLN 71 Cb -0.16 -3.06 -0.04 0.00 -1.01 0.00 0.00 33.01 28.74 2jwx s GLN 71 CO 0.03 -0.60 0.41 0.99 0.01 0.00 0.00 175.29 176.13 2jwx s THR 72 N 1.19 5.21 -0.04 -0.19 2.01 -0.28 -2.66 115.64 120.88 2jwx s THR 72 Ca -0.07 0.78 0.06 0.00 0.31 0.00 0.00 61.69 62.77 2jwx s THR 72 Cb -0.20 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 2jwx s THR 72 CO -0.03 0.31 -0.20 -0.94 -0.69 0.00 0.00 174.62 173.07 2jwx s SER 73 N 0.76 3.56 1.09 3.53 1.04 0.83 0.54 113.70 125.06 2jwx s SER 73 Ca 0.21 -0.33 -0.12 0.00 0.48 0.00 0.00 55.95 56.19 2jwx s SER 73 Cb -0.14 -0.65 0.24 0.00 0.10 0.00 0.00 66.02 65.57 2jwx s SER 73 CO 0.08 0.32 1.03 -0.11 0.98 0.00 0.00 173.24 175.54 2jwx n LEU 74 N 2.43 0.05 0.32 2.42 -0.00 0.19 -0.31 117.00 122.10 2jwx n LEU 74 Ca -0.17 0.03 0.19 0.00 -0.00 0.00 0.00 56.01 56.06 2jwx n LEU 74 Cb 0.52 -1.32 1.05 0.00 -0.00 0.00 0.00 43.42 43.67 2jwx n LEU 74 CO 0.24 -2.94 1.14 1.05 -0.00 0.00 0.00 177.39 176.88 2jwx h GLU 75 N -2.43 0.00 -0.00 1.96 4.11 -1.64 0.44 114.58 117.02 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 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2jwx h GLU 75 CO 0.46 0.01 -0.03 0.09 0.07 0.00 0.00 179.01 179.62 2jwx n ASN 76 N -3.36 0.43 0.00 3.06 3.02 -1.26 -4.91 115.26 112.23 2jwx n ASN 76 Ca -0.03 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 2jwx n ASN 76 Cb 0.10 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 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 1.13 3.37 3.60 7.41 0.00 0.15 -5.02 105.19 115.84 2jwx n GLY 77 Ca 0.20 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 -2.62 3.64 0.11 2.61 2.01 -1.26 -4.40 115.64 115.72 2jwx s THR 78 Ca 0.00 0.65 -0.31 0.00 0.31 0.00 0.00 61.69 62.34 2jwx s THR 78 Cb 0.00 -3.85 -0.10 0.00 0.01 0.00 0.00 72.50 68.56 2jwx s THR 78 CO 0.00 -0.54 1.80 -0.13 -0.69 0.00 0.00 174.62 175.06 2jwx s ARG 79 N 5.36 4.15 0.00 4.92 0.52 -1.26 0.55 118.95 133.19 2jwx s ARG 79 Ca 0.73 2.53 0.14 0.00 -0.52 0.00 0.00 55.73 58.62 2jwx s ARG 79 Cb -0.19 -3.62 -0.12 0.00 0.52 0.00 0.00 34.95 31.53 2jwx s ARG 79 CO 0.33 -0.82 0.65 1.33 0.02 0.00 0.00 175.30 176.81 2jwx n VAL 80 N 4.78 0.00 -3.44 3.52 0.24 0.19 -4.90 118.33 118.72 2jwx n VAL 80 Ca 0.17 -0.20 -0.13 0.00 -2.04 0.00 0.00 64.34 62.14 2jwx n VAL 80 Cb 0.39 1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 33.77 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 -2.24 1.22 -0.25 7.34 1.03 -1.19 -4.69 119.66 120.88 2jwx s GLN 81 Ca 0.07 -0.32 -0.02 0.00 0.04 0.00 0.00 55.36 55.13 2jwx s GLN 81 Cb 0.11 0.56 0.14 0.00 0.03 0.00 0.00 33.01 33.85 2jwx s GLN 81 CO 0.54 -0.51 0.37 -2.00 -2.54 0.00 0.00 175.29 171.15 2jwx s GLU 82 N -3.23 0.35 -0.38 9.60 2.12 -1.26 -1.12 118.70 124.77 2jwx s GLU 82 Ca -0.01 0.36 -0.06 0.00 0.36 0.00 0.00 54.97 55.62 2jwx s GLU 82 Cb -0.01 -0.51 0.08 0.00 0.26 0.00 0.00 34.13 33.95 2jwx s GLU 82 CO -0.08 -0.76 0.17 -1.21 -0.54 0.00 0.00 175.26 172.84 2jwx s GLU 83 N 2.51 2.41 0.00 4.30 0.41 0.46 -4.97 118.70 123.83 2jwx s GLU 83 Ca 0.11 -1.48 0.06 0.00 -0.41 0.00 0.00 54.97 53.25 2jwx s GLU 83 Cb -0.15 -3.57 0.27 0.00 -1.78 0.00 0.00 34.13 28.90 2jwx s GLU 83 CO -0.20 -0.88 1.18 -2.30 -0.49 0.00 0.00 175.26 172.56 2jwx n PRO 84 N 4.76 0.01 -3.15 0.39 -0.02 -1.26 -1.52 135.00 134.21 2jwx n PRO 84 Ca -0.09 0.37 0.05 0.00 -2.02 0.00 0.00 63.50 61.82 2jwx n PRO 84 Cb 0.43 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.40 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 -2.94 0.17 -0.39 -0.52 -1.05 -1.26 -4.25 118.70 108.45 2jwx s GLU 85 Ca 0.03 0.23 -0.10 0.00 -0.15 0.00 0.00 54.97 54.98 2jwx s GLU 85 Cb 0.04 0.12 0.05 0.00 -0.44 0.00 0.00 34.13 33.90 2jwx s GLU 85 CO 0.11 -0.27 0.23 -1.17 0.95 0.00 0.00 175.26 175.11 2jwx s LEU 86 N 2.95 4.89 -0.16 1.83 2.96 0.18 -4.69 118.68 126.65 2jwx s LEU 86 Ca 0.15 -1.21 -0.09 0.00 -0.22 0.00 0.00 54.13 52.76 2jwx s LEU 86 Cb -0.06 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 2jwx s LEU 86 CO -0.18 -0.45 0.14 0.54 -1.32 0.00 0.00 176.35 175.08 2jwx s VAL 87 N 1.50 5.46 0.20 1.68 0.11 -1.21 -0.18 120.40 127.95 2jwx s VAL 87 Ca 0.02 0.21 -0.15 0.00 -2.93 0.00 0.00 61.98 59.13 2jwx s VAL 87 Cb -0.21 -3.44 0.01 0.00 -1.53 0.00 0.00 36.38 31.22 2jwx s VAL 87 CO 0.05 0.53 0.47 0.72 -3.33 0.00 0.00 175.10 173.54 2jwx s PHE 88 N -0.37 0.08 -0.54 1.54 -0.71 -0.99 -4.93 117.98 112.06 2jwx s PHE 88 Ca 0.12 -0.43 -0.28 0.00 -1.04 0.00 0.00 56.93 55.29 2jwx s PHE 88 Cb -0.12 0.27 0.01 0.00 -1.21 0.00 0.00 43.02 41.97 2jwx s PHE 88 CO 0.01 -0.90 1.41 0.99 -1.34 0.00 0.00 175.22 175.39 2jwx s THR 89 N -3.92 3.81 0.48 -4.49 2.01 -1.26 -2.60 115.64 109.67 2jwx s THR 89 Ca 0.13 0.72 -0.24 0.00 0.31 0.00 0.00 61.69 62.61 2jwx s THR 89 Cb -0.00 -4.42 -0.07 0.00 0.01 0.00 0.00 72.50 68.02 2jwx s THR 89 CO 0.00 -1.12 1.40 -0.22 -0.69 0.00 0.00 174.62 173.99 2jwx s LEU 90 N 5.94 4.02 0.00 4.42 2.96 -1.02 -3.17 118.68 131.84 2jwx s LEU 90 Ca 0.53 2.85 0.00 0.00 -0.22 0.00 0.00 54.13 57.29 2jwx s LEU 90 Cb -0.11 -4.05 0.00 0.00 0.50 0.00 0.00 46.19 42.53 2jwx s LEU 90 CO 0.26 -1.30 0.00 0.61 -1.32 0.00 0.00 176.35 174.60 2jwx n GLY 91 N 0.63 0.82 0.15 7.98 0.00 -1.25 0.25 105.19 113.77 2jwx n GLY 91 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.13 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 1.48 -4.17 1.61 2.03 -1.19 -4.93 116.55 111.37 2jwx n ASP 92 Ca 0.00 -2.38 -0.32 0.00 0.52 0.00 0.00 54.79 52.61 2jwx n ASP 92 Cb 0.00 -0.24 -0.06 0.00 -0.72 0.00 0.00 41.12 40.10 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 -1.92 0.00 -0.26 0.00 1.82 -1.94 -3.43 116.42 110.69 2jwx h ASP 94 Ca -0.66 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 55.98 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 0.65 0.17 0.00 1.33 -1.61 0.00 0.00 179.24 179.79 2jwx n VAL 95 N -4.30 0.00 -2.71 2.25 0.24 -1.26 -4.94 118.33 107.61 2jwx n VAL 95 Ca -0.02 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.92 2jwx n VAL 95 Cb 0.24 -0.09 -0.06 0.00 -1.47 0.00 0.00 33.84 32.46 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 2.35 4.10 0.58 1.34 -4.36 -1.26 -4.89 121.20 119.05 2jwx s ILE 96 Ca 0.00 1.52 0.28 0.00 -0.26 0.00 0.00 60.65 62.19 2jwx s ILE 96 Cb 0.00 -3.75 0.35 0.00 1.25 0.00 0.00 42.46 40.31 2jwx s ILE 96 CO 0.00 -0.07 2.19 -0.61 0.24 0.00 0.00 174.94 176.69 2jwx h GLN 97 N 2.46 0.00 -0.22 0.37 5.75 -1.45 0.41 115.11 122.44 2jwx h GLN 97 Ca -0.48 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.07 2jwx h GLN 97 Cb 1.20 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.70 2jwx h GLN 97 CO 0.62 0.00 -0.08 0.00 -2.65 0.00 0.00 178.83 176.72 2jwx h ALA 98 N 1.91 0.11 0.00 3.38 0.00 -1.02 -1.84 119.26 121.80 2jwx h ALA 98 Ca 0.03 0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 2jwx h ALA 98 Cb 0.19 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2jwx h ALA 98 CO -0.00 -0.50 -0.91 1.25 0.00 0.00 0.00 179.25 179.10 2jwx h LEU 99 N -0.04 0.00 -0.78 0.00 5.85 -1.24 -2.10 115.31 117.00 2jwx h LEU 99 Ca 0.11 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 2jwx h LEU 99 Cb 0.21 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2jwx h LEU 99 CO -0.25 0.86 -0.61 -0.78 -0.34 0.00 0.00 178.44 177.32 2jwx h ASP 100 N 0.00 0.00 0.35 1.25 3.58 -0.96 -2.66 116.42 117.98 2jwx h ASP 100 Ca -0.02 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.11 2jwx h ASP 100 Cb 1.67 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.68 2jwx h ASP 100 CO 0.11 0.61 -1.87 0.18 -2.88 0.00 0.00 179.24 175.39 2jwx n LEU 101 N -3.81 1.16 -0.09 2.28 4.77 -0.71 -3.82 117.00 116.79 2jwx n LEU 101 Ca -0.01 0.31 -0.14 0.00 -0.03 0.00 0.00 56.01 56.14 2jwx n LEU 101 Cb 0.61 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 2jwx n LEU 101 CO 0.42 0.50 0.50 0.77 -1.33 0.00 0.00 177.39 178.26 2jwx h SER 102 N 0.01 0.85 0.20 -1.43 4.64 -1.15 -2.48 113.55 114.19 2jwx h SER 102 Ca -0.35 -0.51 0.01 0.00 -0.47 0.00 0.00 61.79 60.47 2jwx h SER 102 Cb 2.04 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.87 2jwx h SER 102 CO 0.07 1.19 -0.24 0.58 -0.87 0.00 0.00 176.83 177.56 2jwx h VAL 103 N 0.53 0.47 0.00 0.95 2.07 -1.72 0.47 116.25 119.02 2jwx h VAL 103 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2jwx h VAL 103 Cb 1.00 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2jwx h VAL 103 CO 0.09 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.87 2jwx n PRO 104 N -5.37 0.29 0.00 1.57 -0.04 -1.21 0.38 135.00 130.62 2jwx n PRO 104 Ca -0.08 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.58 2jwx n PRO 104 Cb 0.28 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.27 2jwx n PRO 104 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jwx n LEU 105 N -1.15 2.38 -4.82 1.53 4.77 -0.04 -4.88 117.00 114.79 2jwx n LEU 105 Ca 0.08 -0.85 -0.23 0.00 -0.03 0.00 0.00 56.01 54.98 2jwx n LEU 105 Cb 0.08 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 2jwx n LEU 105 CO 0.09 0.42 -0.06 0.00 -1.33 0.00 0.00 177.39 176.51 2jwx s MET 106 N -2.28 2.37 0.28 3.23 0.23 0.16 -4.95 119.30 118.34 2jwx s MET 106 Ca 0.22 -1.73 0.09 0.00 -1.03 0.00 0.00 55.69 53.24 2jwx s MET 106 Cb 0.19 -2.17 -0.04 0.00 -1.53 0.00 0.00 34.83 31.27 2jwx s MET 106 CO 0.47 -0.21 0.08 -0.51 -2.03 0.00 0.00 175.02 172.82 2jwx s ASP 107 N -4.05 4.82 0.10 -1.18 1.11 -1.26 -4.61 116.67 111.60 2jwx s ASP 107 Ca 0.43 -0.58 -0.31 0.00 0.18 0.00 0.00 52.55 52.28 2jwx s ASP 107 Cb 0.00 -0.95 -0.09 0.00 1.07 0.00 0.00 42.92 42.95 2jwx s ASP 107 CO 0.25 -0.08 1.65 -0.69 1.18 0.00 0.00 175.17 177.47 2jwx s VAL 108 N -2.30 2.90 0.00 -1.27 1.01 0.30 -1.82 120.40 119.22 2jwx s VAL 108 Ca 0.33 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.76 2jwx s VAL 108 Cb -0.06 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2jwx s VAL 108 CO 0.22 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.94 2jwx n GLY 109 N 3.96 0.54 3.84 4.51 0.00 0.16 -4.35 105.19 113.84 2jwx n GLY 109 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.66 3.85 -0.20 1.61 2.12 -0.75 -4.45 118.70 120.21 2jwx s GLU 110 Ca 0.00 0.96 -0.03 0.00 0.36 0.00 0.00 54.97 56.26 2jwx s GLU 110 Cb 0.00 -2.12 0.06 0.00 0.26 0.00 0.00 34.13 32.33 2jwx s GLU 110 CO 0.00 -0.36 0.04 0.99 -0.54 0.00 0.00 175.26 175.39 2jwx s THR 111 N -2.67 0.54 -0.03 -1.70 2.01 0.82 -2.47 115.64 112.14 2jwx s THR 111 Ca 0.59 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 62.05 2jwx s THR 111 Cb -0.11 -1.05 -0.00 0.00 0.01 0.00 0.00 72.50 71.35 2jwx s THR 111 CO 0.34 -0.22 -0.14 0.00 -0.69 0.00 0.00 174.62 173.92 2jwx s ALA 112 N 1.85 1.22 -0.29 7.40 0.00 -0.66 -1.09 121.76 130.18 2jwx s ALA 112 Ca -0.01 -0.55 -0.15 0.00 0.00 0.00 0.00 51.96 51.25 2jwx s ALA 112 Cb -0.17 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 2jwx s ALA 112 CO -0.08 0.23 0.37 1.41 0.00 0.00 0.00 175.76 177.70 2jwx s MET 113 N -0.00 3.88 -0.19 0.00 -2.45 -0.65 -0.23 119.30 119.66 2jwx s MET 113 Ca -0.01 -0.09 -0.02 0.00 -1.25 0.00 0.00 55.69 54.32 2jwx s MET 113 Cb -0.09 -3.70 -0.00 0.00 1.25 0.00 0.00 34.83 32.29 2jwx s MET 113 CO 0.01 -0.35 -0.10 0.08 1.05 0.00 0.00 175.02 175.70 2jwx s VAL 114 N 2.07 2.92 -0.39 10.11 1.01 0.13 -0.70 120.40 135.54 2jwx s VAL 114 Ca 0.14 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 2jwx s VAL 114 Cb -0.16 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.95 2jwx s VAL 114 CO 0.11 0.47 0.65 0.42 0.00 0.00 0.00 175.10 176.75 2jwx s THR 115 N 1.25 4.84 -0.04 3.92 -4.23 0.97 -1.20 115.64 121.16 2jwx s THR 115 Ca 0.03 0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.97 2jwx s THR 115 Cb -0.14 -4.15 0.01 0.00 1.34 0.00 0.00 72.50 69.57 2jwx s THR 115 CO -0.05 -0.45 -0.07 0.00 -0.54 0.00 0.00 174.62 173.51 2jwx s ALA 116 N 2.81 0.77 0.86 3.99 0.00 -0.49 0.06 121.76 129.76 2jwx s ALA 116 Ca 0.24 -0.18 -0.13 0.00 0.00 0.00 0.00 51.96 51.89 2jwx s ALA 116 Cb -0.14 -0.38 0.04 0.00 0.00 0.00 0.00 23.12 22.64 2jwx s ALA 116 CO 0.17 0.06 0.66 -3.47 0.00 0.00 0.00 175.76 173.18 2jwx n ASP 117 N 3.69 -1.04 0.22 0.00 -0.08 -0.78 0.12 116.55 118.69 2jwx n ASP 117 Ca -0.22 0.45 0.07 0.00 -1.51 0.00 0.00 54.79 53.58 2jwx n ASP 117 Cb 0.52 -1.29 0.52 0.00 2.34 0.00 0.00 41.12 43.22 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 -1.16 0.00 -0.07 1.67 0.87 -1.46 0.36 113.55 113.76 2jwx h SER 118 Ca -0.44 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.13 2jwx h SER 118 Cb 1.30 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.26 2jwx h SER 118 CO 0.39 0.22 0.11 0.07 -0.53 0.00 0.00 176.83 177.08 2jwx h LYS 119 N 0.00 0.00 -0.01 2.24 2.10 -1.86 1.67 116.57 120.71 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 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2jwx h LYS 119 CO 0.03 0.00 -0.67 0.66 -2.00 0.00 0.00 179.45 177.47 2jwx n TYR 120 N -3.56 0.00 0.00 0.07 4.02 0.93 -4.72 117.16 113.91 2jwx n TYR 120 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2jwx n TYR 120 Cb 0.20 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 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 -1.21 0.00 0.00 0.00 4.01 0.34 -4.52 117.16 115.78 2jwx n TYR 122 Ca 0.00 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2jwx n TYR 122 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 2jwx n TYR 122 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jwx n GLY 123 N -0.19 -2.52 0.75 2.72 0.00 0.48 -0.54 105.19 105.90 2jwx n GLY 123 Ca 0.03 0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.10 2jwx n GLY 123 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jwx n PRO 124 N -1.84 2.03 -0.01 1.61 -0.04 -1.26 -4.37 135.00 131.12 2jwx n PRO 124 Ca 0.00 -1.18 -0.01 0.00 -0.04 0.00 0.00 63.50 62.27 2jwx n PRO 124 Cb 0.00 -1.44 -0.01 0.00 -0.04 0.00 0.00 33.50 32.01 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 0.35 0.04 -0.46 0.54 6.02 -1.19 -5.14 117.38 117.54 2jwx n GLN 125 Ca 0.11 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 2jwx n GLN 125 Cb 0.39 -0.85 0.00 0.00 1.02 0.00 0.00 30.24 30.80 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 3.24 -3.28 3.91 1.08 0.00 0.30 -4.97 105.19 105.47 2jwx n GLY 126 Ca -0.03 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.20 6.45 0.11 1.61 0.15 -1.17 -4.75 113.70 112.89 2jwx s SER 127 Ca 0.00 0.61 -0.29 0.00 0.70 0.00 0.00 55.95 56.96 2jwx s SER 127 Cb 0.00 -2.10 -0.10 0.00 -1.71 0.00 0.00 66.02 62.11 2jwx s SER 127 CO 0.00 -0.09 1.48 0.08 1.20 0.00 0.00 173.24 175.91 2jwx h ARG 128 N 2.07 -0.40 0.00 5.44 0.11 -1.98 -3.29 114.38 116.32 2jwx h ARG 128 Ca -0.47 0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2jwx h ARG 128 Cb 1.18 0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.35 2jwx h ARG 128 CO 0.68 -0.27 -0.10 0.77 0.10 0.00 0.00 179.97 181.16 2jwx h SER 129 N -0.42 0.00 -3.59 0.08 0.02 -1.95 -3.45 113.55 104.25 2jwx h SER 129 Ca 0.05 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.30 2jwx h SER 129 Cb 0.55 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.86 2jwx h SER 129 CO -0.47 0.43 -0.50 -2.16 -1.14 0.00 0.00 176.83 173.00 2jwx s PRO 130 N -1.56 2.97 -0.27 3.45 0.05 -1.24 -5.02 135.00 133.38 2jwx s PRO 130 Ca -0.03 -0.99 -0.28 0.00 0.05 0.00 0.00 61.00 59.75 2jwx s PRO 130 Cb 0.00 -3.76 -0.04 0.00 0.05 0.00 0.00 34.50 30.75 2jwx s PRO 130 CO 0.04 -0.65 2.14 -0.47 0.05 0.00 0.00 177.00 178.11 2jwx s TYR 131 N 1.60 1.30 -0.14 0.56 5.04 -1.24 -3.06 117.35 121.41 2jwx s TYR 131 Ca 0.03 0.66 -0.29 0.00 -2.44 0.00 0.00 57.07 55.02 2jwx s TYR 131 Cb -0.19 -3.94 -0.01 0.00 0.35 0.00 0.00 41.96 38.17 2jwx s TYR 131 CO 0.07 -3.68 1.06 0.42 -1.34 0.00 0.00 175.55 172.09 2jwx s ILE 132 N 8.39 4.64 -0.49 3.14 -1.09 -1.26 -4.83 121.20 129.70 2jwx s ILE 132 Ca 0.95 1.94 -0.36 0.00 -2.23 0.00 0.00 60.65 60.95 2jwx s ILE 132 Cb -0.29 -4.25 -0.17 0.00 -1.58 0.00 0.00 42.46 36.18 2jwx s ILE 132 CO 0.34 -0.06 1.90 -2.65 -1.23 0.00 0.00 174.94 173.24 2jwx n PRO 133 N 5.54 0.00 -1.70 2.79 -0.02 -1.26 -4.50 135.00 135.86 2jwx n PRO 133 Ca 0.10 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.16 2jwx n PRO 133 Cb 0.47 -1.28 -0.01 0.00 -0.02 0.00 0.00 33.50 32.66 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 6.54 2.15 -0.24 0.52 -0.02 -1.26 -0.79 135.00 141.90 2jwx n PRO 134 Ca 0.48 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.72 2jwx n PRO 134 Cb -0.03 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 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 0.40 0.00 -1.76 6.00 -0.00 -1.26 -4.93 115.22 113.67 2jwx n HIS 135 Ca 0.05 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.81 2jwx n HIS 135 Cb 0.36 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.20 2jwx n HIS 135 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jwx s ALA 136 N -3.04 3.46 -0.27 1.57 0.00 0.03 -3.94 121.76 119.58 2jwx s ALA 136 Ca 0.00 1.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 2jwx s ALA 136 Cb 0.00 -3.85 -0.00 0.00 0.00 0.00 0.00 23.12 19.26 2jwx s ALA 136 CO 0.00 -1.71 1.32 0.00 0.00 0.00 0.00 175.76 175.36 2jwx s ALA 137 N 4.90 3.42 0.68 0.00 0.00 -1.26 -1.73 121.76 127.75 2jwx s ALA 137 Ca 0.86 0.20 -0.11 0.00 0.00 0.00 0.00 51.96 52.91 2jwx s ALA 137 Cb -0.38 -3.75 -0.01 0.00 0.00 0.00 0.00 23.12 18.98 2jwx s ALA 137 CO 0.38 -1.66 1.05 -0.51 0.00 0.00 0.00 175.76 175.02 2jwx s LEU 138 N 4.26 3.10 -0.29 0.00 2.01 0.12 -1.66 118.68 126.22 2jwx s LEU 138 Ca 0.57 1.47 -0.03 0.00 0.01 0.00 0.00 54.13 56.14 2jwx s LEU 138 Cb -0.18 -4.38 0.10 0.00 0.01 0.00 0.00 46.19 41.73 2jwx s LEU 138 CO 0.22 -1.25 0.12 0.00 1.01 0.00 0.00 176.35 176.45 2jwx s LEU 140 N 2.01 2.95 -0.40 0.00 0.05 -0.34 -0.12 118.68 122.83 2jwx s LEU 140 Ca 0.09 -0.17 -0.17 0.00 0.05 0.00 0.00 54.13 53.93 2jwx s LEU 140 Cb -0.16 -1.65 0.01 0.00 -2.05 0.00 0.00 46.19 42.34 2jwx s LEU 140 CO -0.33 0.27 0.44 -0.70 -0.55 0.00 0.00 176.35 175.47 2jwx s GLU 141 N -0.24 3.21 0.02 1.48 2.12 -1.09 0.17 118.70 124.38 2jwx s GLU 141 Ca 0.02 -0.65 -0.00 0.00 0.36 0.00 0.00 54.97 54.70 2jwx s GLU 141 Cb -0.13 -3.93 -0.04 0.00 0.26 0.00 0.00 34.13 30.29 2jwx s GLU 141 CO 0.03 -0.79 0.12 0.14 -0.54 0.00 0.00 175.26 174.21 2jwx s VAL 142 N 2.16 4.92 -0.25 3.70 -7.23 0.68 -2.28 120.40 122.11 2jwx s VAL 142 Ca 0.13 -0.42 0.01 0.00 -1.81 0.00 0.00 61.98 59.88 2jwx s VAL 142 Cb -0.17 -3.30 0.07 0.00 0.56 0.00 0.00 36.38 33.54 2jwx s VAL 142 CO 0.13 0.27 -0.02 -0.89 -0.31 0.00 0.00 175.10 174.29 2jwx s THR 143 N -1.30 1.48 -0.24 5.32 2.01 0.10 -1.66 115.64 121.35 2jwx s THR 143 Ca 0.27 -1.31 -0.26 0.00 0.31 0.00 0.00 61.69 60.70 2jwx s THR 143 Cb -0.12 -1.83 -0.00 0.00 0.01 0.00 0.00 72.50 70.56 2jwx s THR 143 CO 0.18 -0.21 0.88 -0.22 -0.69 0.00 0.00 174.62 174.56 2jwx s LEU 144 N 1.39 4.08 -0.01 4.42 0.20 -1.03 -0.31 118.68 127.42 2jwx s LEU 144 Ca -0.02 1.10 0.03 0.00 0.69 0.00 0.00 54.13 55.92 2jwx s LEU 144 Cb -0.19 -3.27 -0.05 0.00 -0.43 0.00 0.00 46.19 42.26 2jwx s LEU 144 CO -0.08 -0.56 0.06 2.29 -0.29 0.00 0.00 176.35 177.76 2jwx n LYS 145 N 6.10 1.14 -3.67 1.98 2.85 -1.01 -0.67 118.16 124.88 2jwx n LYS 145 Ca 0.07 -0.02 -0.13 0.00 -1.05 0.00 0.00 58.31 57.17 2jwx n LYS 145 Cb 0.47 -1.08 -0.08 0.00 -0.65 0.00 0.00 35.03 33.69 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 -2.19 -0.00 -0.13 0.58 2.01 -1.24 -4.92 115.64 109.74 2jwx s THR 146 Ca -0.01 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.94 2jwx s THR 146 Cb 0.02 -0.84 0.06 0.00 0.01 0.00 0.00 72.50 71.75 2jwx s THR 146 CO 0.14 0.00 0.28 0.00 -0.69 0.00 0.00 174.62 174.35 2jwx s ALA 147 N 0.40 -0.62 -0.02 7.40 0.00 -1.25 -1.88 121.76 125.78 2jwx s ALA 147 Ca -0.01 1.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.89 2jwx s ALA 147 Cb -0.04 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.10 2jwx s ALA 147 CO -0.00 -0.57 0.16 0.14 0.00 0.00 0.00 175.76 175.49 2jwx s VAL 148 N 2.22 0.05 -0.15 0.00 -7.23 -0.55 -4.85 120.40 109.90 2jwx s VAL 148 Ca -0.01 -0.43 -0.29 0.00 -1.81 0.00 0.00 61.98 59.44 2jwx s VAL 148 Cb -0.12 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 2jwx s VAL 148 CO -0.09 -0.23 1.60 -0.62 -0.31 0.00 0.00 175.10 175.44 2jwx s ASP 149 N -0.84 6.54 0.00 4.85 2.15 -1.26 0.01 116.67 128.12 2jwx s ASP 149 Ca -0.09 1.87 0.02 0.00 0.43 0.00 0.00 52.55 54.77 2jwx s ASP 149 Cb -0.05 -2.53 0.03 0.00 -0.30 0.00 0.00 42.92 40.06 2jwx s ASP 149 CO 0.01 -1.08 0.81 0.18 -0.17 0.00 0.00 175.17 174.92 2jwx n LEU 150 N 7.77 -0.40 -4.65 -1.34 4.77 -1.19 -4.90 117.00 117.06 2jwx n LEU 150 Ca 0.18 -1.54 -0.42 0.00 -0.03 0.00 0.00 56.01 54.20 2jwx n LEU 150 Cb 0.44 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 2jwx n LEU 150 CO 0.63 1.16 1.60 -0.70 -1.33 0.00 0.00 177.39 178.75 2jwx s GLU 151 N 0.00 4.00 0.00 3.23 -6.30 -0.35 -4.77 118.70 114.51 2jwx s GLU 151 Ca 0.02 2.46 0.00 0.00 -2.50 0.00 0.00 54.97 54.95 2jwx s GLU 151 Cb 0.03 -4.17 0.00 0.00 0.00 0.00 0.00 34.13 29.99 2jwx s GLU 151 CO -0.01 -1.11 0.39 -2.39 0.02 0.00 0.00 175.26 172.16 2jwx n HIS 152 N 8.09 0.00 -2.86 5.30 1.44 -1.26 -5.04 115.22 120.90 2jwx n HIS 152 Ca 0.21 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.49 2jwx n HIS 152 Cb 0.42 0.06 -0.03 0.00 0.12 0.00 0.00 29.99 30.55 2jwx n HIS 152 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2jwx s HIS 153 N 0.00 2.76 -0.11 -1.40 5.65 -1.26 -4.97 115.29 115.96 2jwx s HIS 153 Ca 0.00 -0.73 -0.01 0.00 0.25 0.00 0.00 55.06 54.57 2jwx s HIS 153 Cb 0.00 -4.31 0.03 0.00 -1.18 0.00 0.00 32.58 27.11 2jwx s HIS 153 CO 0.00 -1.63 -0.05 -3.38 -0.65 0.00 0.00 174.74 169.03 2jwx s HIS 154 N 3.83 1.22 -0.35 3.88 -3.43 -1.26 -4.95 115.29 114.24 2jwx s HIS 154 Ca 0.26 -0.58 0.04 0.00 -0.80 0.00 0.00 55.06 53.98 2jwx s HIS 154 Cb -0.13 -1.09 0.19 0.00 -1.43 0.00 0.00 32.58 30.12 2jwx s HIS 154 CO 0.05 -0.46 1.18 1.58 -2.00 0.00 0.00 174.74 175.09 2jwx n HIS 155 N 5.01 -1.13 -0.07 0.38 -0.00 -1.26 -5.00 115.22 113.15 2jwx n HIS 155 Ca -0.11 -1.15 -0.12 0.00 0.46 0.00 0.00 57.72 56.81 2jwx n HIS 155 Cb 0.50 1.33 -0.06 0.00 -0.12 0.00 0.00 29.99 31.64 2jwx n HIS 155 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jwx n HIS 156 N -0.42 0.00 -1.36 1.57 8.25 -1.26 -5.36 115.22 116.64 2jwx n HIS 156 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2jwx n HIS 156 Cb 0.72 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 31.30 2jwx n HIS 156 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70