#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 1.42 3.37 3.03 0.00 -1.26 -4.68 105.19 107.07 2jwx n GLY 2 Ca 0.00 0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 2jwx n GLY 2 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jwx s GLN 3 N 0.00 2.40 -0.04 1.61 -0.21 -1.26 -5.12 119.66 117.05 2jwx s GLN 3 Ca 0.00 -0.83 -0.24 0.00 0.02 0.00 0.00 55.36 54.32 2jwx s GLN 3 Cb 0.00 -2.22 -0.04 0.00 1.00 0.00 0.00 33.01 31.75 2jwx s GLN 3 CO 0.00 0.53 0.72 -1.25 -2.12 0.00 0.00 175.29 173.18 2jwx s PRO 4 N -0.53 4.45 0.01 2.91 0.05 -1.26 -5.03 135.00 135.60 2jwx s PRO 4 Ca 0.07 0.94 -0.30 0.00 0.05 0.00 0.00 61.00 61.76 2jwx s PRO 4 Cb -0.11 -3.42 -0.07 0.00 0.05 0.00 0.00 34.50 30.95 2jwx s PRO 4 CO 0.01 0.12 1.64 -1.25 0.05 0.00 0.00 177.00 177.57 2jwx s PRO 5 N 0.57 4.20 0.01 0.56 0.04 -1.26 -4.95 135.00 134.17 2jwx s PRO 5 Ca 0.38 2.24 -0.03 0.00 0.04 0.00 0.00 61.00 63.63 2jwx s PRO 5 Cb -0.18 -3.78 -0.01 0.00 0.04 0.00 0.00 34.50 30.56 2jwx s PRO 5 CO 0.20 -0.77 0.03 0.00 0.04 0.00 0.00 177.00 176.50 2jwx s ALA 6 N 3.28 -0.05 0.01 8.56 0.00 -1.26 -5.05 121.76 127.26 2jwx s ALA 6 Ca 0.73 -0.40 -0.16 0.00 0.00 0.00 0.00 51.96 52.13 2jwx s ALA 6 Cb -0.36 0.13 -0.35 0.00 0.00 0.00 0.00 23.12 22.54 2jwx s ALA 6 CO 0.31 -0.17 0.95 0.93 0.00 0.00 0.00 175.76 177.78 2jwx h GLU 7 N 4.58 0.51 -3.66 0.00 4.39 -2.01 -3.49 114.58 114.90 2jwx h GLU 7 Ca -0.31 -0.86 -0.11 0.00 0.34 0.00 0.00 59.36 58.41 2jwx h GLU 7 Cb 1.20 0.32 -0.07 0.00 -0.10 0.00 0.00 28.75 30.11 2jwx h GLU 7 CO 0.41 1.41 -0.06 -2.00 -1.16 0.00 0.00 179.01 177.61 2jwx s GLU 8 N -2.58 1.78 0.07 2.33 2.56 -1.26 -5.12 118.70 116.48 2jwx s GLU 8 Ca -0.10 -1.42 -0.33 0.00 0.00 0.00 0.00 54.97 53.11 2jwx s GLU 8 Cb 0.04 0.49 -0.12 0.00 2.00 0.00 0.00 34.13 36.54 2jwx s GLU 8 CO 0.93 -0.76 1.77 0.00 -0.56 0.00 0.00 175.26 176.64 2jwx n ALA 9 N -0.46 1.52 0.08 6.30 0.00 -1.26 -4.61 120.51 122.07 2jwx n ALA 9 Ca -0.02 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2jwx n ALA 9 Cb 0.61 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.57 2jwx n ALA 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jwx n GLU 10 N 5.27 0.00 -3.24 0.00 2.13 -1.26 -5.03 120.64 118.51 2jwx n GLU 10 Ca 0.19 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.57 2jwx n GLU 10 Cb 0.32 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.97 2jwx n GLU 10 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2jwx s GLN 11 N -1.39 3.04 -0.34 5.31 -1.52 -1.26 -3.54 119.66 119.96 2jwx s GLN 11 Ca 0.00 -1.23 -0.10 0.00 -1.95 0.00 0.00 55.36 52.09 2jwx s GLN 11 Cb 0.00 -4.17 -0.08 0.00 -0.22 0.00 0.00 33.01 28.54 2jwx s GLN 11 CO 0.00 -1.24 0.90 -2.30 -0.25 0.00 0.00 175.29 172.40 2jwx n PRO 12 N 5.78 0.00 0.00 2.91 -0.02 -1.26 -4.50 135.00 137.90 2jwx n PRO 12 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 2jwx n PRO 12 Cb 0.44 -0.49 0.00 0.00 -0.02 0.00 0.00 33.50 33.42 2jwx n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jwx n GLY 13 N 2.19 -0.24 0.02 -1.23 0.00 -1.26 -4.98 105.19 99.69 2jwx n GLY 13 Ca 0.23 -0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.15 0.19 -2.56 4.61 0.00 -1.26 -5.01 120.51 114.33 2jwx n ALA 14 Ca 0.00 -0.28 -0.24 0.00 0.00 0.00 0.00 53.44 52.92 2jwx n ALA 14 Cb 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2jwx n ALA 14 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2jwx s LEU 15 N -5.80 3.13 0.17 0.00 2.96 -1.26 -5.09 118.68 112.79 2jwx s LEU 15 Ca -0.06 -0.83 -0.30 0.00 -0.22 0.00 0.00 54.13 52.72 2jwx s LEU 15 Cb 0.01 -1.57 -0.07 0.00 0.50 0.00 0.00 46.19 45.05 2jwx s LEU 15 CO 0.09 -0.19 1.10 0.00 -1.32 0.00 0.00 176.35 176.02 2jwx s ALA 16 N -2.44 3.36 0.00 5.97 0.00 -1.26 -4.35 121.76 123.05 2jwx s ALA 16 Ca 0.35 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2jwx s ALA 16 Cb -0.03 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2jwx s ALA 16 CO 0.21 -0.21 0.00 0.54 0.00 0.00 0.00 175.76 176.30 2jwx n ARG 17 N 2.45 0.00 -0.54 0.00 5.12 -1.26 -4.95 116.66 117.47 2jwx n ARG 17 Ca 0.03 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 56.00 2jwx n ARG 17 Cb 0.46 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.73 2jwx n ARG 17 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2jwx n GLU 18 N 0.00 -1.29 -1.59 5.56 2.13 -1.23 -4.84 120.64 119.38 2jwx n GLU 18 Ca 0.00 1.05 -0.53 0.00 0.66 0.00 0.00 57.16 58.34 2jwx n GLU 18 Cb 0.00 -1.46 -0.06 0.00 0.27 0.00 0.00 31.44 30.19 2jwx n GLU 18 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 2jwx n PHE 19 N -2.74 1.50 -2.96 4.31 1.16 -1.16 -4.37 117.46 113.21 2jwx n PHE 19 Ca -0.03 0.66 0.00 0.00 -1.87 0.00 0.00 57.45 56.21 2jwx n PHE 19 Cb 0.25 -2.33 0.00 0.00 -1.61 0.00 0.00 39.48 35.79 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 2.66 0.00 -2.09 5.98 4.77 -1.10 -4.71 117.00 122.51 2jwx n LEU 20 Ca 0.19 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2jwx n LEU 20 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2jwx n LEU 20 CO 0.64 -0.04 -0.24 0.00 -1.33 0.00 0.00 177.39 176.41 2jwx n ALA 21 N -3.00 -3.24 0.00 -1.18 0.00 -1.26 -3.30 120.51 108.53 2jwx n ALA 21 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2jwx n ALA 21 Cb 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.33 0.00 -0.56 0.00 0.00 -1.26 -4.69 120.51 114.33 2jwx n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jwx n ALA 22 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.63 0.00 -1.25 0.00 0.00 -1.26 -4.97 117.12 108.01 2jwx n MET 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2jwx n MET 23 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 0.00 -3.54 -0.97 0.03 -0.58 -1.26 -4.60 120.64 109.72 2jwx n GLU 24 Ca 0.00 2.58 -0.37 0.00 -0.42 0.00 0.00 57.16 58.95 2jwx n GLU 24 Cb 0.00 -2.86 -0.05 0.00 -0.57 0.00 0.00 31.44 27.96 2jwx n GLU 24 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2jwx n PRO 25 N -0.15 1.47 -2.18 3.49 -0.02 -1.26 -4.93 135.00 131.42 2jwx n PRO 25 Ca 0.00 -1.65 -0.33 0.00 -2.02 0.00 0.00 63.50 59.50 2jwx n PRO 25 Cb 0.00 -2.75 -0.00 0.00 -0.02 0.00 0.00 33.50 30.73 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 4.79 3.46 0.95 -0.52 0.41 -1.26 -5.03 118.70 121.49 2jwx s GLU 26 Ca 0.52 1.24 -0.11 0.00 -0.41 0.00 0.00 54.97 56.21 2jwx s GLU 26 Cb 0.13 -2.05 0.14 0.00 -1.78 0.00 0.00 34.13 30.57 2jwx s GLU 26 CO 0.10 -0.70 0.98 -0.35 -0.49 0.00 0.00 175.26 174.80 2jwx n PRO 27 N -1.75 -0.63 -1.73 0.39 -0.04 -1.26 -4.92 135.00 125.06 2jwx n PRO 27 Ca 0.09 -0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 63.00 2jwx n PRO 27 Cb 0.53 -2.26 -0.02 0.00 -0.04 0.00 0.00 33.50 31.72 2jwx n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jwx n ALA 28 N -4.22 2.18 -1.48 0.55 0.00 -1.26 -4.95 120.51 111.34 2jwx n ALA 28 Ca 0.10 0.38 -0.39 0.00 0.00 0.00 0.00 53.44 53.53 2jwx n ALA 28 Cb 0.53 -2.41 0.03 0.00 0.00 0.00 0.00 19.45 17.60 2jwx n ALA 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jwx n PRO 29 N 1.89 0.57 -3.38 0.00 -0.04 -1.26 -4.95 135.00 127.82 2jwx n PRO 29 Ca 0.08 0.22 -0.31 0.00 -0.04 0.00 0.00 63.50 63.45 2jwx n PRO 29 Cb 0.36 -1.71 -0.06 0.00 -0.04 0.00 0.00 33.50 32.05 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 -1.54 4.25 -1.58 0.55 0.00 -1.26 -5.01 120.51 115.93 2jwx n ALA 30 Ca 0.12 -4.76 -0.23 0.00 0.00 0.00 0.00 53.44 48.57 2jwx n ALA 30 Cb 0.46 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.58 2jwx n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jwx s PRO 31 N -2.41 1.81 -0.16 0.00 0.04 -1.26 -4.81 135.00 128.21 2jwx s PRO 31 Ca 0.36 0.84 -0.05 0.00 0.04 0.00 0.00 61.00 62.20 2jwx s PRO 31 Cb 0.10 -4.71 -0.03 0.00 0.04 0.00 0.00 34.50 29.90 2jwx s PRO 31 CO -0.00 -3.96 -0.00 0.00 0.04 0.00 0.00 177.00 173.07 2jwx s ALA 32 N 13.68 3.15 -1.04 8.56 0.00 -1.26 -5.01 121.76 139.84 2jwx s ALA 32 Ca 0.94 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 52.03 2jwx s ALA 32 Cb -0.14 -1.68 -0.06 0.00 0.00 0.00 0.00 23.12 21.23 2jwx s ALA 32 CO 0.15 0.21 2.24 -0.35 0.00 0.00 0.00 175.76 178.01 2jwx n PRO 33 N 3.50 2.33 -2.47 0.00 -0.04 -1.26 -4.23 135.00 132.83 2jwx n PRO 33 Ca -0.17 -1.65 -0.16 0.00 -0.04 0.00 0.00 63.50 61.48 2jwx n PRO 33 Cb 0.52 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 2jwx n PRO 33 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jwx n GLU 34 N 4.41 -2.06 -0.08 0.54 1.02 -1.26 -4.89 120.64 118.31 2jwx n GLU 34 Ca 0.51 0.74 0.12 0.00 -0.02 0.00 0.00 57.16 58.51 2jwx n GLU 34 Cb 0.18 -5.13 0.30 0.00 -0.02 0.00 0.00 31.44 26.77 2jwx n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2jwx n GLU 35 N -2.75 2.07 -1.79 3.49 1.02 -1.26 -5.05 120.64 116.37 2jwx n GLU 35 Ca -0.15 -1.59 0.00 0.00 -0.02 0.00 0.00 57.16 55.39 2jwx n GLU 35 Cb 0.63 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 2jwx n GLU 35 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2jwx n TRP 36 N 0.85 -3.75 -4.02 -0.32 7.02 -1.26 -4.97 117.44 110.99 2jwx n TRP 36 Ca 0.17 1.96 -0.35 0.00 -1.02 0.00 0.00 57.50 58.26 2jwx n TRP 36 Cb 0.47 -2.96 -0.12 0.00 -2.42 0.00 0.00 31.31 26.27 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 -2.05 3.32 -0.76 -0.99 2.96 -0.02 -4.91 118.68 116.23 2jwx s LEU 37 Ca 0.00 -0.18 -0.26 0.00 -0.22 0.00 0.00 54.13 53.46 2jwx s LEU 37 Cb 0.00 -1.85 0.02 0.00 0.50 0.00 0.00 46.19 44.86 2jwx s LEU 37 CO 0.00 0.06 1.44 -0.62 -1.32 0.00 0.00 176.35 175.90 2jwx s ASP 38 N 1.06 6.00 0.16 3.68 -1.08 -1.26 -0.72 116.67 124.50 2jwx s ASP 38 Ca 0.02 -0.45 -0.22 0.00 -0.52 0.00 0.00 52.55 51.39 2jwx s ASP 38 Cb -0.14 -2.56 0.05 0.00 -1.46 0.00 0.00 42.92 38.81 2jwx s ASP 38 CO 0.02 -1.93 1.63 0.40 0.52 0.00 0.00 175.17 175.80 2jwx h ILE 39 N 6.34 0.37 -0.07 4.11 2.04 -0.77 -2.06 117.51 127.48 2jwx h ILE 39 Ca -0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2jwx h ILE 39 Cb 1.06 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2jwx h ILE 39 CO 1.29 0.00 0.00 -0.11 0.00 0.00 0.00 178.15 179.33 2jwx n LEU 40 N -5.38 2.88 -1.95 1.44 0.00 -1.25 -4.90 117.00 107.83 2jwx n LEU 40 Ca 0.00 -1.06 -0.16 0.00 0.00 0.00 0.00 56.01 54.79 2jwx n LEU 40 Cb 0.30 -0.03 -0.04 0.00 0.00 0.00 0.00 43.42 43.65 2jwx n LEU 40 CO 0.12 0.51 -0.18 0.61 0.00 0.00 0.00 177.39 178.45 2jwx n GLY 41 N 1.24 0.52 0.04 -3.96 0.00 -0.78 -4.82 105.19 97.43 2jwx n GLY 41 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.39 0.55 0.00 1.61 2.04 -1.26 -4.95 115.26 111.86 2jwx n ASN 42 Ca -0.18 -0.14 0.00 0.00 -0.44 0.00 0.00 54.58 53.82 2jwx n ASN 42 Cb 0.59 1.00 0.00 0.00 -2.53 0.00 0.00 39.78 38.84 2jwx n ASN 42 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2jwx n GLY 43 N 1.33 2.88 0.15 4.83 0.00 -1.26 -4.75 105.19 108.36 2jwx n GLY 43 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -7.53 0.99 -0.00 -1.92 -3.43 115.31 103.41 2jwx h LEU 44 Ca 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 57.88 57.25 2jwx h LEU 44 Cb 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 40.66 40.26 2jwx h LEU 44 CO 0.00 0.31 -0.74 -0.22 -0.00 0.00 0.00 178.44 177.79 2jwx s LEU 45 N -6.17 3.66 -0.02 1.67 1.98 -1.24 -2.00 118.68 116.57 2jwx s LEU 45 Ca 0.03 -1.84 0.01 0.00 -2.89 0.00 0.00 54.13 49.45 2jwx s LEU 45 Cb 0.07 -1.34 0.02 0.00 0.66 0.00 0.00 46.19 45.60 2jwx s LEU 45 CO 0.74 -0.36 -0.03 -0.13 -1.89 0.00 0.00 176.35 174.68 2jwx s ARG 46 N 1.19 0.48 -0.09 1.98 0.52 0.86 0.02 118.95 123.91 2jwx s ARG 46 Ca 0.07 -0.06 -0.02 0.00 -0.52 0.00 0.00 55.73 55.21 2jwx s ARG 46 Cb -0.18 -0.54 -0.03 0.00 0.52 0.00 0.00 34.95 34.71 2jwx s ARG 46 CO -0.13 -0.04 -0.00 0.21 0.02 0.00 0.00 175.30 175.36 2jwx s LYS 47 N 0.61 3.07 -0.19 3.54 2.20 0.10 0.01 119.74 129.08 2jwx s LYS 47 Ca -0.07 -0.42 0.01 0.00 -0.36 0.00 0.00 55.97 55.13 2jwx s LYS 47 Cb -0.10 -2.81 0.03 0.00 -1.51 0.00 0.00 37.83 33.44 2jwx s LYS 47 CO -0.01 0.64 -0.15 0.21 -0.36 0.00 0.00 175.35 175.69 2jwx s LYS 48 N -0.72 2.49 -0.77 4.03 2.20 0.88 -0.84 119.74 127.01 2jwx s LYS 48 Ca 0.11 -0.85 -0.26 0.00 -0.36 0.00 0.00 55.97 54.62 2jwx s LYS 48 Cb -0.12 -2.48 -0.01 0.00 -1.51 0.00 0.00 37.83 33.72 2jwx s LYS 48 CO 0.02 -0.32 1.70 0.95 -0.36 0.00 0.00 175.35 177.34 2jwx s THR 49 N 1.33 3.54 -0.03 3.43 -4.23 -1.26 -1.05 115.64 117.36 2jwx s THR 49 Ca 0.01 -0.03 -0.26 0.00 -1.18 0.00 0.00 61.69 60.24 2jwx s THR 49 Cb -0.15 -4.33 -0.21 0.00 1.34 0.00 0.00 72.50 69.16 2jwx s THR 49 CO -0.10 -1.27 1.21 -0.07 -0.54 0.00 0.00 174.62 173.85 2jwx h LEU 50 N 15.54 0.04 -7.90 4.79 3.38 -1.71 -3.40 115.31 126.04 2jwx h LEU 50 Ca -0.11 -0.56 -0.57 0.00 0.09 0.00 0.00 57.88 56.73 2jwx h LEU 50 Cb 1.08 -0.01 -0.35 0.00 0.09 0.00 0.00 40.66 41.46 2jwx h LEU 50 CO 1.26 0.59 -0.83 -0.69 0.09 0.00 0.00 178.44 178.86 2jwx s VAL 51 N -3.99 1.38 -0.10 1.22 1.01 -0.55 -5.00 120.40 114.36 2jwx s VAL 51 Ca -0.16 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 2jwx s VAL 51 Cb 0.01 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2jwx s VAL 51 CO 0.68 0.42 0.04 -2.16 0.00 0.00 0.00 175.10 174.09 2jwx s PRO 52 N 1.28 3.18 0.32 2.72 0.04 -1.26 -0.05 135.00 141.23 2jwx s PRO 52 Ca -0.01 -0.33 -0.29 0.00 0.04 0.00 0.00 61.00 60.41 2jwx s PRO 52 Cb -0.14 -2.93 -0.11 0.00 0.04 0.00 0.00 34.50 31.36 2jwx s PRO 52 CO -0.06 0.70 1.56 0.20 0.04 0.00 0.00 177.00 179.44 2jwx s GLY 53 N -0.84 2.39 -0.10 0.56 0.00 -1.26 -4.80 107.32 103.27 2jwx s GLY 53 Ca 0.13 1.58 -0.38 0.00 0.00 0.00 0.00 44.72 46.06 2jwx s GLY 53 CO 0.03 2.46 1.61 -1.05 0.00 0.00 0.00 173.10 176.15 2jwx n PRO 54 N 1.57 1.33 -0.60 2.90 -0.02 -1.26 -4.46 135.00 134.46 2jwx n PRO 54 Ca 0.06 0.49 -0.14 0.00 -2.02 0.00 0.00 63.50 61.88 2jwx n PRO 54 Cb 0.38 -2.18 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 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 4.38 0.00 0.00 0.52 -0.02 -1.26 -1.18 135.00 137.44 2jwx n PRO 55 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2jwx n PRO 55 Cb 0.18 -0.53 0.00 0.00 -0.02 0.00 0.00 33.50 33.13 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 2.46 2.34 5.83 -1.23 0.00 -1.26 -4.69 105.19 108.64 2jwx n GLY 56 Ca 0.27 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.33 -3.39 113.62 115.50 2jwx n SER 57 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 2jwx n SER 57 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.82 -0.56 6.43 0.01 -1.26 -2.70 113.70 110.80 2jwx s SER 58 Ca 0.00 1.36 -0.02 0.00 1.31 0.00 0.00 55.95 58.60 2jwx s SER 58 Cb 0.00 1.26 0.15 0.00 0.21 0.00 0.00 66.02 67.64 2jwx s SER 58 CO 0.00 -0.23 0.37 -0.13 0.41 0.00 0.00 173.24 173.66 2jwx s ARG 59 N 1.36 2.38 0.10 12.44 1.81 -1.21 -0.58 118.95 135.25 2jwx s ARG 59 Ca -0.08 -2.36 -0.31 0.00 -1.72 0.00 0.00 55.73 51.26 2jwx s ARG 59 Cb -0.06 -3.67 -0.07 0.00 -0.45 0.00 0.00 34.95 30.71 2jwx s ARG 59 CO -0.15 -1.14 1.35 -1.25 -0.68 0.00 0.00 175.30 173.43 2jwx s PRO 60 N 0.22 4.34 0.11 3.54 0.04 -1.26 -4.82 135.00 137.17 2jwx s PRO 60 Ca 0.15 2.00 -0.14 0.00 0.04 0.00 0.00 61.00 63.05 2jwx s PRO 60 Cb -0.21 -3.29 -0.07 0.00 0.04 0.00 0.00 34.50 30.98 2jwx s PRO 60 CO -0.03 -0.40 0.50 0.14 0.04 0.00 0.00 177.00 177.24 2jwx s VAL 61 N 1.16 4.92 -0.71 -0.36 -7.23 -1.26 -4.24 120.40 112.68 2jwx s VAL 61 Ca 0.63 0.77 -0.33 0.00 -1.81 0.00 0.00 61.98 61.25 2jwx s VAL 61 Cb -0.35 -3.72 -0.17 0.00 0.56 0.00 0.00 36.38 32.70 2jwx s VAL 61 CO 0.30 0.31 2.48 0.29 -0.31 0.00 0.00 175.10 178.16 2jwx n LYS 62 N 0.99 0.39 0.00 4.82 4.01 -1.26 -0.52 118.16 126.59 2jwx n LYS 62 Ca -0.07 0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 2jwx n LYS 62 Cb 0.52 -2.05 0.00 0.00 -0.51 0.00 0.00 35.03 32.99 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 6.56 0.79 3.74 0.72 0.00 0.12 -4.71 105.19 112.41 2jwx n GLY 63 Ca 0.54 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 4.43 -0.14 1.61 -1.52 0.32 -1.55 119.66 122.82 2jwx s GLN 64 Ca 0.00 0.94 -0.29 0.00 -1.95 0.00 0.00 55.36 54.05 2jwx s GLN 64 Cb 0.00 -3.38 -0.03 0.00 -0.22 0.00 0.00 33.01 29.39 2jwx s GLN 64 CO 0.00 0.25 1.40 0.54 -0.25 0.00 0.00 175.29 177.24 2jwx s VAL 65 N 0.12 4.03 -0.10 1.09 0.11 0.21 -2.33 120.40 123.53 2jwx s VAL 65 Ca 0.36 1.23 0.04 0.00 -2.93 0.00 0.00 61.98 60.68 2jwx s VAL 65 Cb -0.19 -3.83 -0.00 0.00 -1.53 0.00 0.00 36.38 30.83 2jwx s VAL 65 CO 0.20 -0.15 -0.23 0.68 -3.33 0.00 0.00 175.10 172.28 2jwx s VAL 66 N 3.83 2.15 -0.42 2.04 -7.23 -1.03 -1.43 120.40 118.31 2jwx s VAL 66 Ca 0.61 -0.99 -0.20 0.00 -1.81 0.00 0.00 61.98 59.59 2jwx s VAL 66 Cb -0.25 -1.82 0.02 0.00 0.56 0.00 0.00 36.38 34.89 2jwx s VAL 66 CO 0.20 0.56 0.62 -0.89 -0.31 0.00 0.00 175.10 175.28 2jwx s THR 67 N 0.30 4.86 -0.16 5.32 2.01 -0.82 -2.35 115.64 124.79 2jwx s THR 67 Ca -0.17 0.17 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 2jwx s THR 67 Cb -0.17 -4.16 -0.00 0.00 0.01 0.00 0.00 72.50 68.17 2jwx s THR 67 CO 0.08 -0.53 -0.13 0.68 -0.69 0.00 0.00 174.62 174.04 2jwx s VAL 68 N 2.74 2.83 -0.32 3.82 -7.23 0.80 -2.26 120.40 120.78 2jwx s VAL 68 Ca 0.22 -0.71 -0.25 0.00 -1.81 0.00 0.00 61.98 59.43 2jwx s VAL 68 Cb -0.14 -2.21 0.01 0.00 0.56 0.00 0.00 36.38 34.59 2jwx s VAL 68 CO 0.18 0.50 0.89 -2.28 -0.31 0.00 0.00 175.10 174.08 2jwx s HIS 69 N 0.89 3.16 0.02 2.82 2.46 0.38 0.38 115.29 125.40 2jwx s HIS 69 Ca -0.03 0.90 0.06 0.00 0.47 0.00 0.00 55.06 56.46 2jwx s HIS 69 Cb -0.15 -3.44 -0.02 0.00 -0.13 0.00 0.00 32.58 28.85 2jwx s HIS 69 CO -0.01 -0.68 -0.18 -0.48 -2.47 0.00 0.00 174.74 170.92 2jwx s LEU 70 N 3.25 2.11 -0.16 8.88 0.05 -0.89 0.17 118.68 132.09 2jwx s LEU 70 Ca 0.37 -0.42 -0.02 0.00 0.05 0.00 0.00 54.13 54.11 2jwx s LEU 70 Cb -0.13 -0.88 0.05 0.00 -2.05 0.00 0.00 46.19 43.17 2jwx s LEU 70 CO 0.15 0.16 0.01 -1.10 -0.55 0.00 0.00 176.35 175.01 2jwx s GLN 71 N -0.83 0.84 -0.19 1.48 1.11 -0.97 0.08 119.66 121.18 2jwx s GLN 71 Ca 0.06 -0.31 -0.09 0.00 0.01 0.00 0.00 55.36 55.03 2jwx s GLN 71 Cb -0.08 -1.80 -0.05 0.00 -1.01 0.00 0.00 33.01 30.08 2jwx s GLN 71 CO 0.01 -0.50 0.12 0.99 0.01 0.00 0.00 175.29 175.91 2jwx s THR 72 N 1.83 5.28 -0.01 -0.19 2.01 -0.45 -2.47 115.64 121.64 2jwx s THR 72 Ca 0.01 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.15 2jwx s THR 72 Cb -0.15 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 2jwx s THR 72 CO -0.07 0.46 0.04 -0.44 -0.69 0.00 0.00 174.62 173.93 2jwx s SER 73 N 0.21 5.44 0.79 3.53 0.01 0.13 0.75 113.70 124.56 2jwx s SER 73 Ca 0.08 0.09 -0.11 0.00 1.31 0.00 0.00 55.95 57.31 2jwx s SER 73 Cb -0.11 -1.51 0.07 0.00 0.21 0.00 0.00 66.02 64.67 2jwx s SER 73 CO -0.01 0.29 1.10 -0.22 0.41 0.00 0.00 173.24 174.80 2jwx s LEU 74 N -1.59 2.62 0.58 2.44 2.96 0.17 0.11 118.68 125.97 2jwx s LEU 74 Ca 0.21 1.28 0.32 0.00 -0.22 0.00 0.00 54.13 55.72 2jwx s LEU 74 Cb -0.12 -3.91 1.79 0.00 0.50 0.00 0.00 46.19 44.46 2jwx s LEU 74 CO 0.11 -1.92 2.20 1.05 -1.32 0.00 0.00 176.35 176.47 2jwx h GLU 75 N -1.06 0.00 0.00 1.98 4.11 -1.31 0.41 114.58 118.72 2jwx h GLU 75 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2jwx h GLU 75 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2jwx h GLU 75 CO 0.60 0.04 0.00 -1.71 0.07 0.00 0.00 179.01 178.01 2jwx n ASN 76 N -3.57 0.00 0.00 3.06 5.15 -1.26 -4.91 115.26 113.73 2jwx n ASN 76 Ca -0.02 0.47 0.00 0.00 -0.60 0.00 0.00 54.58 54.43 2jwx n ASN 76 Cb 0.15 -0.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.91 2jwx n ASN 76 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jwx n GLY 77 N 0.87 2.56 3.60 8.20 0.00 0.14 -5.02 105.19 115.54 2jwx n GLY 77 Ca 0.06 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.34 3.16 0.03 2.61 2.01 -1.26 -4.18 115.64 115.67 2jwx s THR 78 Ca 0.00 0.16 -0.34 0.00 0.31 0.00 0.00 61.69 61.82 2jwx s THR 78 Cb 0.00 -3.22 -0.13 0.00 0.01 0.00 0.00 72.50 69.16 2jwx s THR 78 CO 0.00 -0.14 1.76 -1.14 -0.69 0.00 0.00 174.62 174.40 2jwx n ARG 79 N 8.68 2.21 0.00 4.92 0.63 -1.26 0.46 116.66 132.30 2jwx n ARG 79 Ca 0.28 0.80 0.03 0.00 -0.92 0.00 0.00 57.85 58.04 2jwx n ARG 79 Cb 0.46 -2.62 -0.03 0.00 0.45 0.00 0.00 32.46 30.71 2jwx n ARG 79 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2jwx n VAL 80 N 4.42 0.00 -3.52 5.15 0.24 0.23 -4.89 118.33 119.96 2jwx n VAL 80 Ca 0.20 -0.35 -0.12 0.00 -2.04 0.00 0.00 64.34 62.03 2jwx n VAL 80 Cb 0.30 1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 33.64 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 -1.58 1.15 -0.26 7.34 1.03 -1.19 -4.68 119.66 121.46 2jwx s GLN 81 Ca 0.03 -0.43 -0.01 0.00 0.04 0.00 0.00 55.36 54.99 2jwx s GLN 81 Cb 0.05 0.52 0.14 0.00 0.03 0.00 0.00 33.01 33.76 2jwx s GLN 81 CO 0.27 -0.46 0.35 -2.00 -2.54 0.00 0.00 175.29 170.91 2jwx s GLU 82 N -3.29 0.35 -0.43 9.60 2.12 -1.26 -1.34 118.70 124.44 2jwx s GLU 82 Ca -0.01 0.24 -0.05 0.00 0.36 0.00 0.00 54.97 55.51 2jwx s GLU 82 Cb -0.00 -0.54 0.11 0.00 0.26 0.00 0.00 34.13 33.96 2jwx s GLU 82 CO -0.09 -0.84 0.26 -1.21 -0.54 0.00 0.00 175.26 172.84 2jwx s GLU 83 N 2.48 2.20 -1.07 4.30 0.41 0.11 -4.98 118.70 122.16 2jwx s GLU 83 Ca 0.11 -1.79 -0.23 0.00 -0.41 0.00 0.00 54.97 52.65 2jwx s GLU 83 Cb -0.14 -3.72 -0.03 0.00 -1.78 0.00 0.00 34.13 28.45 2jwx s GLU 83 CO -0.23 -1.11 1.85 -2.14 -0.49 0.00 0.00 175.26 173.13 2jwx s PRO 84 N 1.23 2.85 0.00 0.39 0.02 -1.26 -2.10 135.00 136.13 2jwx s PRO 84 Ca 0.07 -0.94 0.00 0.00 0.02 0.00 0.00 61.00 60.15 2jwx s PRO 84 Cb -0.24 -5.23 0.00 0.00 0.02 0.00 0.00 34.50 29.05 2jwx s PRO 84 CO -0.03 -3.31 0.00 0.39 -0.33 0.00 0.00 177.00 173.72 2jwx n GLU 85 N 8.59 0.00 -3.74 5.54 1.02 -1.25 -4.95 120.64 125.85 2jwx n GLU 85 Ca 0.42 0.12 -0.38 0.00 -0.02 0.00 0.00 57.16 57.30 2jwx n GLU 85 Cb 0.47 -0.24 -0.12 0.00 -0.02 0.00 0.00 31.44 31.53 2jwx n GLU 85 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2jwx s LEU 86 N 0.00 4.37 -0.13 -4.62 2.96 0.16 -4.77 118.68 116.66 2jwx s LEU 86 Ca 0.00 -1.15 -0.02 0.00 -0.22 0.00 0.00 54.13 52.75 2jwx s LEU 86 Cb 0.00 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 2jwx s LEU 86 CO 0.00 -0.34 -0.06 0.54 -1.32 0.00 0.00 176.35 175.17 2jwx s VAL 87 N 1.41 3.67 0.21 1.68 0.11 -1.22 -0.14 120.40 126.12 2jwx s VAL 87 Ca -0.01 -0.45 -0.12 0.00 -2.93 0.00 0.00 61.98 58.46 2jwx s VAL 87 Cb -0.20 -2.57 0.00 0.00 -1.53 0.00 0.00 36.38 32.08 2jwx s VAL 87 CO 0.03 0.53 0.42 0.72 -3.33 0.00 0.00 175.10 173.47 2jwx s PHE 88 N 0.08 0.28 -0.42 1.54 -0.71 -0.99 -4.92 117.98 112.84 2jwx s PHE 88 Ca -0.02 -0.64 -0.29 0.00 -1.04 0.00 0.00 56.93 54.95 2jwx s PHE 88 Cb -0.14 0.15 0.01 0.00 -1.21 0.00 0.00 43.02 41.83 2jwx s PHE 88 CO 0.03 -0.89 1.32 0.99 -1.34 0.00 0.00 175.22 175.33 2jwx s THR 89 N -3.97 4.02 0.42 -4.49 2.01 -1.26 -2.45 115.64 109.92 2jwx s THR 89 Ca 0.18 1.06 -0.26 0.00 0.31 0.00 0.00 61.69 62.98 2jwx s THR 89 Cb 0.01 -4.32 -0.09 0.00 0.01 0.00 0.00 72.50 68.10 2jwx s THR 89 CO 0.04 -0.80 1.44 -0.22 -0.69 0.00 0.00 174.62 174.39 2jwx s LEU 90 N 5.02 4.20 -0.23 4.42 2.96 -0.99 -3.25 118.68 130.81 2jwx s LEU 90 Ca 0.57 2.95 0.00 0.00 -0.22 0.00 0.00 54.13 57.42 2jwx s LEU 90 Cb -0.12 -3.83 0.00 0.00 0.50 0.00 0.00 46.19 42.74 2jwx s LEU 90 CO 0.31 -1.04 0.00 0.61 -1.32 0.00 0.00 176.35 174.91 2jwx n GLY 91 N 0.55 0.52 0.62 7.98 0.00 -1.22 0.15 105.19 113.78 2jwx n GLY 91 Ca 0.03 -0.24 0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 0.06 1.31 -4.23 1.61 2.03 -1.20 -4.90 116.55 111.23 2jwx n ASP 92 Ca -0.02 -2.78 -0.30 0.00 0.52 0.00 0.00 54.79 52.21 2jwx n ASP 92 Cb 0.18 -0.37 -0.08 0.00 -0.72 0.00 0.00 41.12 40.14 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 -1.77 0.00 -0.09 0.00 3.58 -1.94 -3.44 116.42 112.75 2jwx h ASP 94 Ca -0.65 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.80 2jwx h ASP 94 Cb 1.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.44 2jwx h ASP 94 CO 0.69 0.01 0.00 1.33 -2.88 0.00 0.00 179.24 178.39 2jwx n VAL 95 N -3.10 0.00 -2.72 2.25 0.24 -1.26 -4.93 118.33 108.81 2jwx n VAL 95 Ca 0.01 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.91 2jwx n VAL 95 Cb 0.31 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.62 2jwx n VAL 95 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2jwx s ILE 96 N 1.77 4.03 0.54 1.34 -4.36 -1.26 -4.89 121.20 118.37 2jwx s ILE 96 Ca 0.00 1.93 0.27 0.00 -0.26 0.00 0.00 60.65 62.58 2jwx s ILE 96 Cb 0.00 -4.18 0.41 0.00 1.25 0.00 0.00 42.46 39.94 2jwx s ILE 96 CO 0.00 0.37 1.98 -0.61 0.24 0.00 0.00 174.94 176.92 2jwx h GLN 97 N 3.79 0.00 -0.40 0.37 5.75 -1.40 0.18 115.11 123.41 2jwx h GLN 97 Ca -0.46 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.12 2jwx h GLN 97 Cb 1.20 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.67 2jwx h GLN 97 CO 0.67 0.00 -0.13 0.00 -2.65 0.00 0.00 178.83 176.72 2jwx h ALA 98 N 1.69 0.21 0.04 3.38 0.00 -0.84 -1.48 119.26 122.27 2jwx h ALA 98 Ca 0.27 0.15 -0.23 0.00 0.00 0.00 0.00 54.91 55.10 2jwx h ALA 98 Cb 1.12 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2jwx h ALA 98 CO -0.00 -0.49 -1.07 1.25 0.00 0.00 0.00 179.25 178.93 2jwx h LEU 99 N -0.05 0.14 -0.84 0.00 5.85 -0.97 -2.29 115.31 117.16 2jwx h LEU 99 Ca 0.19 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 2jwx h LEU 99 Cb 0.34 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2jwx h LEU 99 CO -0.43 1.11 -0.58 -0.78 -0.34 0.00 0.00 178.44 177.42 2jwx h ASP 100 N 0.03 0.00 0.33 1.25 3.58 -0.79 -2.17 116.42 118.65 2jwx h ASP 100 Ca -0.05 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.08 2jwx h ASP 100 Cb 1.83 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.84 2jwx h ASP 100 CO 0.15 0.58 -1.86 0.18 -2.88 0.00 0.00 179.24 175.41 2jwx n LEU 101 N -3.84 1.48 -0.13 2.28 4.77 -0.59 -3.45 117.00 117.53 2jwx n LEU 101 Ca -0.01 0.31 -0.12 0.00 -0.03 0.00 0.00 56.01 56.16 2jwx n LEU 101 Cb 0.58 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 2jwx n LEU 101 CO 0.42 0.57 0.65 0.77 -1.33 0.00 0.00 177.39 178.46 2jwx h SER 102 N 0.02 0.83 0.19 -1.43 4.64 -1.02 -2.82 113.55 113.98 2jwx h SER 102 Ca -0.35 -0.41 0.01 0.00 -0.47 0.00 0.00 61.79 60.56 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 1.06 -0.24 0.58 -0.87 0.00 0.00 176.83 177.44 2jwx h VAL 103 N 0.60 0.47 0.00 0.95 2.07 -1.65 -0.18 116.25 118.52 2jwx h VAL 103 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2jwx h VAL 103 Cb 0.76 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2jwx h VAL 103 CO 0.06 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.84 2jwx n PRO 104 N -5.36 0.08 0.00 1.57 -0.04 -1.22 0.24 135.00 130.26 2jwx n PRO 104 Ca -0.08 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 2jwx n PRO 104 Cb 0.27 -1.68 0.28 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.83 1.07 -4.74 1.53 4.77 -0.44 -4.74 117.00 112.63 2jwx n LEU 105 Ca 0.02 -0.29 -0.23 0.00 -0.03 0.00 0.00 56.01 55.47 2jwx n LEU 105 Cb 0.13 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 2jwx n LEU 105 CO 0.12 0.21 -0.25 0.00 -1.33 0.00 0.00 177.39 176.14 2jwx s MET 106 N -2.61 2.62 0.17 3.23 0.23 0.14 -4.73 119.30 118.35 2jwx s MET 106 Ca 0.21 -1.18 0.03 0.00 -1.03 0.00 0.00 55.69 53.72 2jwx s MET 106 Cb 0.19 -2.40 -0.03 0.00 -1.53 0.00 0.00 34.83 31.06 2jwx s MET 106 CO 0.57 0.40 0.28 -0.51 -2.03 0.00 0.00 175.02 173.74 2jwx s ASP 107 N -3.60 6.26 0.12 -1.18 1.11 -1.26 -4.52 116.67 113.60 2jwx s ASP 107 Ca 0.31 0.12 -0.31 0.00 0.18 0.00 0.00 52.55 52.86 2jwx s ASP 107 Cb -0.08 -1.86 -0.10 0.00 1.07 0.00 0.00 42.92 41.96 2jwx s ASP 107 CO 0.22 0.03 1.73 -0.69 1.18 0.00 0.00 175.17 177.64 2jwx s VAL 108 N -1.79 2.65 0.00 -1.27 1.01 0.26 -1.42 120.40 119.83 2jwx s VAL 108 Ca 0.34 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2jwx s VAL 108 Cb -0.11 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2jwx s VAL 108 CO 0.28 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.99 2jwx n GLY 109 N 4.07 0.46 3.85 4.51 0.00 0.38 -4.42 105.19 114.05 2jwx n GLY 109 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.76 3.62 -0.19 1.61 2.12 -0.51 -4.49 118.70 120.10 2jwx s GLU 110 Ca 0.00 0.85 -0.03 0.00 0.36 0.00 0.00 54.97 56.16 2jwx s GLU 110 Cb 0.00 -2.08 0.06 0.00 0.26 0.00 0.00 34.13 32.36 2jwx s GLU 110 CO 0.00 -0.55 0.03 0.99 -0.54 0.00 0.00 175.26 175.20 2jwx s THR 111 N -2.97 0.52 -0.05 -1.70 2.01 0.93 -2.56 115.64 111.82 2jwx s THR 111 Ca 0.57 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 62.08 2jwx s THR 111 Cb -0.11 -1.01 -0.00 0.00 0.01 0.00 0.00 72.50 71.39 2jwx s THR 111 CO 0.47 -0.19 -0.17 0.00 -0.69 0.00 0.00 174.62 174.04 2jwx s ALA 112 N 1.86 1.53 -0.32 7.40 0.00 -0.76 -1.49 121.76 129.98 2jwx s ALA 112 Ca -0.01 -0.67 -0.16 0.00 0.00 0.00 0.00 51.96 51.12 2jwx s ALA 112 Cb -0.17 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 2jwx s ALA 112 CO -0.08 0.26 0.39 1.41 0.00 0.00 0.00 175.76 177.74 2jwx s MET 113 N 0.12 3.73 -0.18 0.00 -2.45 -0.22 -0.33 119.30 119.97 2jwx s MET 113 Ca -0.06 -0.21 -0.00 0.00 -1.25 0.00 0.00 55.69 54.17 2jwx s MET 113 Cb -0.12 -3.75 0.01 0.00 1.25 0.00 0.00 34.83 32.21 2jwx s MET 113 CO 0.03 -0.46 -0.15 0.08 1.05 0.00 0.00 175.02 175.57 2jwx s VAL 114 N 2.10 2.56 -0.36 10.11 1.01 0.13 -0.09 120.40 135.86 2jwx s VAL 114 Ca 0.14 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 2jwx s VAL 114 Cb -0.16 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.12 2jwx s VAL 114 CO 0.11 0.50 0.63 0.42 0.00 0.00 0.00 175.10 176.77 2jwx s THR 115 N 1.18 4.89 -0.05 3.92 -4.23 0.10 -0.70 115.64 120.75 2jwx s THR 115 Ca 0.02 0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 61.07 2jwx s THR 115 Cb -0.14 -4.08 0.03 0.00 1.34 0.00 0.00 72.50 69.65 2jwx s THR 115 CO -0.06 -0.33 0.00 0.00 -0.54 0.00 0.00 174.62 173.69 2jwx s ALA 116 N 2.70 0.54 0.80 3.99 0.00 -0.02 -0.10 121.76 129.67 2jwx s ALA 116 Ca 0.24 -0.00 -0.15 0.00 0.00 0.00 0.00 51.96 52.05 2jwx s ALA 116 Cb -0.14 -0.58 -0.00 0.00 0.00 0.00 0.00 23.12 22.40 2jwx s ALA 116 CO 0.15 -0.31 0.60 -3.47 0.00 0.00 0.00 175.76 172.73 2jwx n ASP 117 N 4.77 -1.09 0.25 0.00 -0.08 -0.84 0.25 116.55 119.79 2jwx n ASP 117 Ca -0.14 0.52 0.10 0.00 -1.51 0.00 0.00 54.79 53.76 2jwx n ASP 117 Cb 0.50 -1.26 0.65 0.00 2.34 0.00 0.00 41.12 43.35 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 -0.76 0.00 0.03 1.67 0.87 -1.44 0.39 113.55 114.31 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 0.15 -0.00 0.07 -0.53 0.00 0.00 176.83 176.93 2jwx h LYS 119 N 0.00 0.00 -0.02 2.24 2.10 -1.86 1.57 116.57 120.60 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 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 2jwx h LYS 119 CO 0.02 0.00 -0.16 0.66 -2.00 0.00 0.00 179.45 177.97 2jwx n TYR 120 N -3.22 0.00 0.00 0.07 4.02 0.12 -4.73 117.16 113.43 2jwx n TYR 120 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 2jwx n TYR 120 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 2jwx n TYR 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jwx n TYR 122 N -1.59 0.00 0.04 0.00 4.01 0.36 -4.56 117.16 115.41 2jwx n TYR 122 Ca 0.00 -0.07 -0.02 0.00 -0.16 0.00 0.00 57.90 57.65 2jwx n TYR 122 Cb 0.00 -0.05 -0.01 0.00 -0.31 0.00 0.00 39.34 38.96 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 -0.69 -1.83 2.72 0.00 0.15 0.16 103.07 103.57 2jwx h GLY 123 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2jwx h GLY 123 CO 0.00 -0.25 0.00 -1.55 0.00 0.00 0.00 176.54 174.74 2jwx n PRO 124 N -2.62 2.41 -0.01 4.80 -0.04 -1.26 -4.43 135.00 133.85 2jwx n PRO 124 Ca -0.02 -1.50 -0.01 0.00 -0.04 0.00 0.00 63.50 61.93 2jwx n PRO 124 Cb 0.06 -1.57 -0.00 0.00 -0.04 0.00 0.00 33.50 31.94 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 0.49 0.02 -0.66 0.54 6.02 -1.11 -5.14 117.38 117.54 2jwx n GLN 125 Ca 0.14 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 2jwx n GLN 125 Cb 0.52 -0.82 0.00 0.00 1.02 0.00 0.00 30.24 30.96 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 3.23 -3.69 3.94 1.08 0.00 0.53 -4.97 105.19 105.31 2jwx n GLY 126 Ca -0.02 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.52 6.29 0.11 1.61 0.15 -1.20 -4.84 113.70 113.30 2jwx s SER 127 Ca 0.00 0.48 -0.32 0.00 0.70 0.00 0.00 55.95 56.82 2jwx s SER 127 Cb 0.00 -2.05 -0.11 0.00 -1.71 0.00 0.00 66.02 62.15 2jwx s SER 127 CO 0.00 -0.32 1.58 0.08 1.20 0.00 0.00 173.24 175.78 2jwx h ARG 128 N 0.71 -0.67 0.00 5.44 0.11 -1.98 -3.33 114.38 114.66 2jwx h ARG 128 Ca -0.50 0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2jwx h ARG 128 Cb 1.22 0.15 0.00 0.00 1.11 0.00 0.00 29.97 32.45 2jwx h ARG 128 CO 0.61 -0.45 -0.36 1.03 0.10 0.00 0.00 179.97 180.90 2jwx h SER 129 N -0.70 0.00 -3.61 0.08 0.87 -1.95 -3.45 113.55 104.79 2jwx h SER 129 Ca 0.01 0.00 -0.70 0.00 -1.23 0.00 0.00 61.79 59.87 2jwx h SER 129 Cb 0.71 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 62.43 2jwx h SER 129 CO -0.23 0.64 -0.52 -2.16 -0.53 0.00 0.00 176.83 174.03 2jwx s PRO 130 N -2.00 3.01 -0.24 2.24 0.05 -1.26 -5.03 135.00 131.78 2jwx s PRO 130 Ca -0.11 -0.95 -0.28 0.00 0.05 0.00 0.00 61.00 59.71 2jwx s PRO 130 Cb 0.01 -3.69 -0.05 0.00 0.05 0.00 0.00 34.50 30.82 2jwx s PRO 130 CO 0.16 -0.60 2.24 0.98 0.05 0.00 0.00 177.00 179.82 2jwx n TYR 131 N 5.00 1.92 -2.53 0.56 9.36 -1.25 -3.23 117.16 126.99 2jwx n TYR 131 Ca -0.12 -0.11 -0.43 0.00 3.32 0.00 0.00 57.90 60.56 2jwx n TYR 131 Cb 0.47 -2.72 -0.02 0.00 -0.63 0.00 0.00 39.34 36.44 2jwx n TYR 131 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2jwx s ILE 132 N 8.65 4.22 -0.54 2.97 -1.09 -1.26 -4.83 121.20 129.31 2jwx s ILE 132 Ca 1.01 1.32 -0.40 0.00 -2.23 0.00 0.00 60.65 60.35 2jwx s ILE 132 Cb -0.33 -4.39 -0.18 0.00 -1.58 0.00 0.00 42.46 35.98 2jwx s ILE 132 CO 0.35 -0.71 2.10 -2.65 -1.23 0.00 0.00 174.94 172.80 2jwx n PRO 133 N 7.51 0.00 -1.57 2.79 -0.02 -1.26 -4.33 135.00 138.12 2jwx n PRO 133 Ca 0.13 0.00 -0.50 0.00 -2.02 0.00 0.00 63.50 61.11 2jwx n PRO 133 Cb 0.48 -1.42 -0.05 0.00 -0.02 0.00 0.00 33.50 32.49 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 7.24 1.06 -0.60 0.52 -0.04 -1.26 -0.26 135.00 141.65 2jwx n PRO 134 Ca 0.54 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 64.37 2jwx n PRO 134 Cb -0.03 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 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 1.70 0.00 -1.65 0.54 -0.00 -1.26 -4.92 115.22 109.62 2jwx n HIS 135 Ca 0.16 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.46 2jwx n HIS 135 Cb 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.18 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 -3.45 3.08 -0.26 1.57 0.00 0.65 -3.93 121.76 119.41 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 -3.98 -0.01 0.00 0.00 0.00 0.00 23.12 19.13 2jwx s ALA 136 CO 0.00 -2.29 1.37 0.00 0.00 0.00 0.00 175.76 174.84 2jwx s ALA 137 N 6.69 3.40 0.65 0.00 0.00 -1.26 -1.68 121.76 129.56 2jwx s ALA 137 Ca 0.95 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 2jwx s ALA 137 Cb -0.36 -3.77 -0.02 0.00 0.00 0.00 0.00 23.12 18.97 2jwx s ALA 137 CO 0.37 -1.71 1.04 -0.51 0.00 0.00 0.00 175.76 174.96 2jwx s LEU 138 N 4.40 3.22 -0.29 0.00 1.43 0.14 -0.88 118.68 126.70 2jwx s LEU 138 Ca 0.60 1.54 -0.03 0.00 -1.03 0.00 0.00 54.13 55.21 2jwx s LEU 138 Cb -0.20 -4.49 0.10 0.00 0.03 0.00 0.00 46.19 41.63 2jwx s LEU 138 CO 0.23 -1.14 0.11 0.00 0.23 0.00 0.00 176.35 175.78 2jwx s LEU 140 N 1.88 2.50 -0.35 0.00 0.05 0.13 0.21 118.68 123.10 2jwx s LEU 140 Ca 0.09 -0.35 -0.18 0.00 0.05 0.00 0.00 54.13 53.74 2jwx s LEU 140 Cb -0.17 -1.51 -0.00 0.00 -2.05 0.00 0.00 46.19 42.46 2jwx s LEU 140 CO -0.29 0.25 0.49 -0.70 -0.55 0.00 0.00 176.35 175.54 2jwx s GLU 141 N -0.17 3.61 0.01 1.48 2.12 -1.03 0.18 118.70 124.89 2jwx s GLU 141 Ca -0.01 -0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.12 2jwx s GLU 141 Cb -0.14 -3.81 -0.04 0.00 0.26 0.00 0.00 34.13 30.41 2jwx s GLU 141 CO 0.03 -0.63 0.06 0.14 -0.54 0.00 0.00 175.26 174.33 2jwx s VAL 142 N 2.33 4.55 -0.27 3.70 -7.23 0.55 -2.29 120.40 121.74 2jwx s VAL 142 Ca 0.17 -0.51 0.02 0.00 -1.81 0.00 0.00 61.98 59.86 2jwx s VAL 142 Cb -0.16 -3.08 0.07 0.00 0.56 0.00 0.00 36.38 33.77 2jwx s VAL 142 CO 0.13 0.32 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.30 2jwx s THR 143 N -1.19 1.95 -0.25 5.32 2.01 0.13 -1.84 115.64 121.77 2jwx s THR 143 Ca 0.23 -1.64 -0.22 0.00 0.31 0.00 0.00 61.69 60.37 2jwx s THR 143 Cb -0.12 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 2jwx s THR 143 CO 0.14 -0.18 0.73 -0.22 -0.69 0.00 0.00 174.62 174.39 2jwx s LEU 144 N 1.17 4.08 -0.01 4.42 0.20 -1.06 -0.47 118.68 127.00 2jwx s LEU 144 Ca -0.04 0.87 0.02 0.00 0.69 0.00 0.00 54.13 55.68 2jwx s LEU 144 Cb -0.19 -3.02 -0.04 0.00 -0.43 0.00 0.00 46.19 42.51 2jwx s LEU 144 CO -0.07 -0.43 0.03 2.29 -0.29 0.00 0.00 176.35 177.88 2jwx n LYS 145 N 5.81 1.77 -3.76 1.98 2.85 -0.96 -0.47 118.16 125.39 2jwx n LYS 145 Ca 0.02 -0.01 -0.13 0.00 -1.05 0.00 0.00 58.31 57.14 2jwx n LYS 145 Cb 0.48 -1.06 -0.12 0.00 -0.65 0.00 0.00 35.03 33.68 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 -2.12 -0.01 -0.12 0.58 2.01 -1.24 -4.87 115.64 109.86 2jwx s THR 146 Ca -0.01 0.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.98 2jwx s THR 146 Cb 0.01 -0.41 0.06 0.00 0.01 0.00 0.00 72.50 72.17 2jwx s THR 146 CO 0.10 0.02 0.25 0.00 -0.69 0.00 0.00 174.62 174.30 2jwx s ALA 147 N 0.48 -0.52 -0.16 7.40 0.00 -1.25 -1.95 121.76 125.77 2jwx s ALA 147 Ca -0.03 0.91 -0.13 0.00 0.00 0.00 0.00 51.96 52.71 2jwx s ALA 147 Cb -0.04 -0.92 0.04 0.00 0.00 0.00 0.00 23.12 22.20 2jwx s ALA 147 CO -0.02 -0.55 0.40 0.14 0.00 0.00 0.00 175.76 175.73 2jwx s VAL 148 N 2.18 -0.01 -0.02 0.00 -7.23 -0.51 -4.73 120.40 110.07 2jwx s VAL 148 Ca -0.01 0.02 -0.30 0.00 -1.81 0.00 0.00 61.98 59.89 2jwx s VAL 148 Cb -0.12 -0.57 -0.08 0.00 0.56 0.00 0.00 36.38 36.17 2jwx s VAL 148 CO -0.08 0.01 2.00 -0.62 -0.31 0.00 0.00 175.10 176.10 2jwx s ASP 149 N 0.49 6.26 -0.13 4.85 -1.08 -1.26 0.68 116.67 126.47 2jwx s ASP 149 Ca -0.02 2.49 0.17 0.00 -0.52 0.00 0.00 52.55 54.67 2jwx s ASP 149 Cb -0.04 -2.53 0.35 0.00 -1.46 0.00 0.00 42.92 39.24 2jwx s ASP 149 CO -0.02 -1.23 1.18 -0.11 0.52 0.00 0.00 175.17 175.51 2jwx n LEU 150 N 8.35 0.26 -4.55 -1.34 7.94 -0.80 -4.81 117.00 122.04 2jwx n LEU 150 Ca 0.22 -2.49 -0.37 0.00 -1.11 0.00 0.00 56.01 52.25 2jwx n LEU 150 Cb 0.42 0.14 -0.03 0.00 0.53 0.00 0.00 43.42 44.48 2jwx n LEU 150 CO 0.67 1.09 1.64 -0.70 -1.11 0.00 0.00 177.39 178.98 2jwx s GLU 151 N -0.99 2.54 0.01 1.96 -6.30 -0.59 -4.80 118.70 110.54 2jwx s GLU 151 Ca 0.20 0.65 -0.25 0.00 -2.50 0.00 0.00 54.97 53.07 2jwx s GLU 151 Cb 0.30 -4.46 -0.18 0.00 0.00 0.00 0.00 34.13 29.78 2jwx s GLU 151 CO -0.09 -2.87 1.39 0.45 0.02 0.00 0.00 175.26 174.17 2jwx h HIS 152 N 15.30 -0.07 -1.10 5.30 3.86 -1.97 -3.47 115.15 132.99 2jwx h HIS 152 Ca -0.23 -0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.17 2jwx h HIS 152 Cb 1.16 0.02 -0.33 0.00 1.06 0.00 0.00 27.41 29.33 2jwx h HIS 152 CO 1.05 0.25 0.76 -1.58 0.86 0.00 0.00 177.93 179.27 2jwx s HIS 153 N -4.87 -0.10 -1.28 2.45 2.46 -1.26 -5.08 115.29 107.62 2jwx s HIS 153 Ca -0.15 0.21 -0.18 0.00 0.47 0.00 0.00 55.06 55.42 2jwx s HIS 153 Cb 0.03 0.20 0.02 0.00 -0.13 0.00 0.00 32.58 32.70 2jwx s HIS 153 CO 0.65 -0.05 1.92 1.58 -2.47 0.00 0.00 174.74 176.37 2jwx n HIS 154 N 2.63 3.79 -2.93 3.88 -0.00 -1.26 -4.63 115.22 116.70 2jwx n HIS 154 Ca -0.15 -2.57 -0.03 0.00 0.46 0.00 0.00 57.72 55.43 2jwx n HIS 154 Cb 0.56 -2.53 0.00 0.00 -0.12 0.00 0.00 29.99 27.91 2jwx n HIS 154 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jwx n HIS 155 N 8.58 -2.54 0.00 1.57 -0.00 -1.26 -4.88 115.22 116.70 2jwx n HIS 155 Ca 0.49 1.11 0.00 0.00 0.46 0.00 0.00 57.72 59.78 2jwx n HIS 155 Cb 0.44 -2.88 0.00 0.00 -0.12 0.00 0.00 29.99 27.43 2jwx n HIS 155 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jwx n HIS 156 N 0.79 0.00 -0.53 1.57 -0.00 -1.26 -5.26 115.22 110.52 2jwx n HIS 156 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jwx n HIS 156 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.23 2jwx n HIS 156 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95