#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwx s GLY 2 N 0.00 0.84 -0.08 -5.12 0.00 -1.26 -4.45 107.32 97.24 2jwx s GLY 2 Ca 0.00 -1.16 -0.06 0.00 0.00 0.00 0.00 44.72 43.50 2jwx s GLY 2 CO 0.00 2.73 0.12 -1.06 0.00 0.00 0.00 173.10 174.89 2jwx n GLN 3 N 9.18 -2.80 0.31 2.90 6.02 -1.26 -4.96 117.38 126.77 2jwx n GLN 3 Ca 0.06 2.29 -0.18 0.00 -0.01 0.00 0.00 57.00 59.16 2jwx n GLN 3 Cb 0.49 -3.30 -0.10 0.00 1.02 0.00 0.00 30.24 28.36 2jwx n GLN 3 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2jwx h PRO 4 N 2.43 -0.98 -5.45 -1.09 0.11 -2.09 -3.40 132.00 121.53 2jwx h PRO 4 Ca -0.26 0.07 -0.60 0.00 0.11 0.00 0.00 66.00 65.31 2jwx h PRO 4 Cb 0.59 0.22 -0.11 0.00 0.11 0.00 0.00 31.00 31.81 2jwx h PRO 4 CO 0.00 -0.65 -0.08 -1.25 -0.21 0.00 0.00 178.00 175.81 2jwx s PRO 5 N -5.90 4.15 -0.51 1.05 0.05 -1.26 -5.02 135.00 127.56 2jwx s PRO 5 Ca -0.18 0.32 0.05 0.00 0.05 0.00 0.00 61.00 61.24 2jwx s PRO 5 Cb 0.04 -3.58 0.18 0.00 0.05 0.00 0.00 34.50 31.19 2jwx s PRO 5 CO 0.61 -0.17 0.41 0.00 0.05 0.00 0.00 177.00 177.90 2jwx n ALA 6 N 4.89 3.06 -3.48 8.56 0.00 -1.26 -5.09 120.51 127.18 2jwx n ALA 6 Ca -0.06 -3.62 -0.14 0.00 0.00 0.00 0.00 53.44 49.62 2jwx n ALA 6 Cb 0.50 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.57 1.08 -0.07 0.00 -1.05 -1.26 -5.09 118.70 111.75 2jwx s GLU 7 Ca 0.31 -0.09 0.01 0.00 -0.15 0.00 0.00 54.97 55.05 2jwx s GLU 7 Cb 0.02 0.50 -0.05 0.00 -0.44 0.00 0.00 34.13 34.17 2jwx s GLU 7 CO -0.18 -0.41 -0.05 0.39 0.95 0.00 0.00 175.26 175.96 2jwx n GLU 8 N 0.27 0.49 -2.87 -4.83 1.02 -1.26 -5.05 120.64 108.42 2jwx n GLU 8 Ca -0.16 0.04 -0.37 0.00 -0.02 0.00 0.00 57.16 56.65 2jwx n GLU 8 Cb 0.61 -1.14 -0.06 0.00 -0.02 0.00 0.00 31.44 30.82 2jwx n GLU 8 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jwx s ALA 9 N -2.14 3.26 0.00 0.62 0.00 -1.26 -4.72 121.76 117.52 2jwx s ALA 9 Ca -0.09 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.29 2jwx s ALA 9 Cb 0.02 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2jwx s ALA 9 CO 0.17 0.22 0.00 -1.91 0.00 0.00 0.00 175.76 174.23 2jwx n GLU 10 N 0.56 0.00 -3.49 0.00 4.07 -1.26 -5.03 120.64 115.49 2jwx n GLU 10 Ca 0.01 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.68 2jwx n GLU 10 Cb 0.50 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.80 2jwx n GLU 10 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 2jwx s GLN 11 N -1.80 2.75 -0.46 5.31 0.74 -1.26 -5.04 119.66 119.90 2jwx s GLN 11 Ca 0.00 -1.52 -0.43 0.00 0.05 0.00 0.00 55.36 53.46 2jwx s GLN 11 Cb 0.00 -3.99 -0.18 0.00 1.10 0.00 0.00 33.01 29.94 2jwx s GLN 11 CO 0.00 -1.07 1.50 -2.30 -0.55 0.00 0.00 175.29 172.86 2jwx n PRO 12 N 5.05 0.00 0.00 1.67 -0.02 -1.26 -3.27 135.00 137.17 2jwx n PRO 12 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2jwx n PRO 12 Cb 0.42 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 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 3.91 0.67 7.00 -1.23 0.00 -1.26 -5.11 105.19 109.17 2jwx n GLY 13 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 0.00 -0.73 4.61 0.00 -1.20 -5.05 120.51 118.13 2jwx n ALA 14 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2jwx n ALA 14 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2jwx n ALA 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jwx n LEU 15 N 0.00 0.00 -4.47 0.00 4.77 -1.26 -4.43 117.00 111.61 2jwx n LEU 15 Ca 0.00 0.65 -0.43 0.00 -0.03 0.00 0.00 56.01 56.20 2jwx n LEU 15 Cb 0.00 -1.83 -0.03 0.00 -2.33 0.00 0.00 43.42 39.24 2jwx n LEU 15 CO 0.00 -1.39 1.10 0.00 -1.33 0.00 0.00 177.39 175.77 2jwx s ALA 16 N -1.64 3.26 0.11 -1.18 0.00 -1.26 -4.82 121.76 116.22 2jwx s ALA 16 Ca 0.00 -2.69 0.03 0.00 0.00 0.00 0.00 51.96 49.30 2jwx s ALA 16 Cb 0.00 -4.15 -0.04 0.00 0.00 0.00 0.00 23.12 18.93 2jwx s ALA 16 CO 0.00 -3.10 -0.09 1.03 0.00 0.00 0.00 175.76 173.59 2jwx s ARG 17 N 3.11 0.88 0.10 0.00 0.52 -1.26 -4.96 118.95 117.34 2jwx s ARG 17 Ca 0.36 -1.25 0.00 0.00 -0.52 0.00 0.00 55.73 54.32 2jwx s ARG 17 Cb -0.04 -0.49 0.00 0.00 0.52 0.00 0.00 34.95 34.95 2jwx s ARG 17 CO -0.09 0.06 0.00 -1.91 0.02 0.00 0.00 175.30 173.38 2jwx n GLU 18 N 0.30 -2.53 -2.88 3.54 4.07 -1.26 -4.35 120.64 117.52 2jwx n GLU 18 Ca -0.14 2.06 -0.11 0.00 -0.06 0.00 0.00 57.16 58.90 2jwx n GLU 18 Cb 0.59 -1.93 0.06 0.00 -0.06 0.00 0.00 31.44 30.09 2jwx n GLU 18 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2jwx n PHE 19 N 0.82 -1.55 -3.62 4.31 3.72 0.16 -4.79 117.46 116.51 2jwx n PHE 19 Ca 0.00 0.62 -0.39 0.00 -0.05 0.00 0.00 57.45 57.63 2jwx n PHE 19 Cb 0.00 -3.94 -0.08 0.00 -0.94 0.00 0.00 39.48 34.52 2jwx n PHE 19 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 2jwx s LEU 20 N -4.85 5.61 -0.01 4.37 2.34 -0.96 -4.80 118.68 120.36 2jwx s LEU 20 Ca 0.10 -2.61 -0.28 0.00 0.06 0.00 0.00 54.13 51.40 2jwx s LEU 20 Cb -0.01 -1.95 0.10 0.00 -0.56 0.00 0.00 46.19 43.77 2jwx s LEU 20 CO 0.50 -0.47 0.86 0.00 -1.06 0.00 0.00 176.35 176.17 2jwx s ALA 21 N 0.31 -1.81 -0.39 1.48 0.00 -1.26 -4.65 121.76 115.43 2jwx s ALA 21 Ca 0.15 1.07 -0.28 0.00 0.00 0.00 0.00 51.96 52.89 2jwx s ALA 21 Cb -0.19 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 2jwx s ALA 21 CO -0.04 -0.61 1.67 0.00 0.00 0.00 0.00 175.76 176.77 2jwx s ALA 22 N -2.74 2.86 -0.27 0.00 0.00 -1.26 -4.92 121.76 115.43 2jwx s ALA 22 Ca 0.02 0.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.74 2jwx s ALA 22 Cb -0.01 -4.02 0.08 0.00 0.00 0.00 0.00 23.12 19.18 2jwx s ALA 22 CO -0.06 -2.68 0.81 0.00 0.00 0.00 0.00 175.76 173.82 2jwx s MET 23 N 5.55 0.75 -0.24 0.00 0.23 -1.26 -4.44 119.30 119.88 2jwx s MET 23 Ca 0.72 0.89 -0.10 0.00 -1.03 0.00 0.00 55.69 56.16 2jwx s MET 23 Cb -0.18 0.36 -0.11 0.00 -1.53 0.00 0.00 34.83 33.37 2jwx s MET 23 CO 0.32 -0.09 -0.30 0.39 -2.03 0.00 0.00 175.02 173.31 2jwx n GLU 24 N 2.56 0.52 -1.90 3.16 4.71 -1.26 -4.95 120.64 123.47 2jwx n GLU 24 Ca -0.14 0.21 -0.42 0.00 -0.01 0.00 0.00 57.16 56.80 2jwx n GLU 24 Cb 0.55 -1.37 -0.03 0.00 -1.01 0.00 0.00 31.44 29.59 2jwx n GLU 24 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 2jwx s PRO 25 N -2.44 4.18 -0.06 3.49 0.02 -1.26 -4.92 135.00 134.01 2jwx s PRO 25 Ca -0.33 2.36 -0.31 0.00 0.02 0.00 0.00 61.00 62.74 2jwx s PRO 25 Cb 0.12 -3.73 -0.09 0.00 0.02 0.00 0.00 34.50 30.82 2jwx s PRO 25 CO 0.44 -0.79 2.01 -1.91 -0.33 0.00 0.00 177.00 176.42 2jwx n GLU 26 N 6.08 2.43 -3.92 5.54 4.07 -1.26 -4.96 120.64 128.62 2jwx n GLU 26 Ca 0.17 0.85 -0.22 0.00 -0.06 0.00 0.00 57.16 57.90 2jwx n GLU 26 Cb 0.41 -2.93 -0.02 0.00 -0.06 0.00 0.00 31.44 28.84 2jwx n GLU 26 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2jwx s PRO 27 N 4.82 3.44 -0.08 5.31 0.04 -1.26 -5.12 135.00 142.16 2jwx s PRO 27 Ca 0.93 -0.71 0.05 0.00 0.04 0.00 0.00 61.00 61.31 2jwx s PRO 27 Cb -0.51 -2.87 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 2jwx s PRO 27 CO 0.44 0.41 -0.23 0.00 0.04 0.00 0.00 177.00 177.66 2jwx s ALA 28 N -2.00 2.23 0.94 8.56 0.00 -1.26 -5.11 121.76 125.11 2jwx s ALA 28 Ca 0.35 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 2jwx s ALA 28 Cb -0.09 -0.77 0.15 0.00 0.00 0.00 0.00 23.12 22.41 2jwx s ALA 28 CO 0.30 0.37 1.09 -1.25 0.00 0.00 0.00 175.76 176.27 2jwx s PRO 29 N 0.01 0.92 -0.59 0.00 0.04 -1.26 -5.02 135.00 129.10 2jwx s PRO 29 Ca -0.08 0.97 0.05 0.00 0.04 0.00 0.00 61.00 61.97 2jwx s PRO 29 Cb -0.15 -1.76 0.35 0.00 0.04 0.00 0.00 34.50 32.98 2jwx s PRO 29 CO 0.05 -2.52 1.02 0.00 0.04 0.00 0.00 177.00 175.59 2jwx n ALA 30 N -4.09 4.81 -0.65 8.56 0.00 -1.26 -4.92 120.51 122.95 2jwx n ALA 30 Ca 0.07 -4.66 -0.08 0.00 0.00 0.00 0.00 53.44 48.77 2jwx n ALA 30 Cb 0.54 -0.79 -0.11 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.27 1.31 -2.82 0.00 -0.04 -1.26 -4.89 135.00 127.02 2jwx n PRO 31 Ca 0.33 -0.65 -0.31 0.00 -0.04 0.00 0.00 63.50 62.83 2jwx n PRO 31 Cb 0.41 -1.82 -0.04 0.00 -0.04 0.00 0.00 33.50 32.01 2jwx n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jwx s ALA 32 N 1.68 3.29 -1.03 0.55 0.00 -1.26 -4.95 121.76 120.04 2jwx s ALA 32 Ca 0.44 -0.09 -0.16 0.00 0.00 0.00 0.00 51.96 52.15 2jwx s ALA 32 Cb 0.21 -2.79 -0.08 0.00 0.00 0.00 0.00 23.12 20.45 2jwx s ALA 32 CO 0.00 0.01 2.11 -0.35 0.00 0.00 0.00 175.76 177.53 2jwx n PRO 33 N -1.18 2.10 0.00 0.00 -0.04 -1.26 -4.71 135.00 129.91 2jwx n PRO 33 Ca 0.03 -2.00 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 2jwx n PRO 33 Cb 0.54 -2.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 2jwx n PRO 33 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2jwx n GLU 34 N 6.07 0.00 -1.10 0.54 0.28 -1.26 -4.89 120.64 120.29 2jwx n GLU 34 Ca 0.51 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 57.48 2jwx n GLU 34 Cb 0.34 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.20 2jwx n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2jwx n GLU 35 N 14.00 -0.55 -1.57 3.44 1.02 -1.26 -4.80 120.64 130.92 2jwx n GLU 35 Ca 0.00 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 2jwx n GLU 35 Cb 0.00 -4.07 0.00 0.00 -0.02 0.00 0.00 31.44 27.35 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 -2.74 -4.33 -4.39 -0.32 7.02 -1.26 -4.98 117.44 106.43 2jwx n TRP 36 Ca -0.03 2.31 -0.33 0.00 -1.02 0.00 0.00 57.50 58.43 2jwx n TRP 36 Cb 0.19 -3.50 -0.15 0.00 -2.42 0.00 0.00 31.31 25.43 2jwx n TRP 36 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2jwx s LEU 37 N -3.55 2.52 -0.56 -0.99 2.96 -0.30 -4.91 118.68 113.85 2jwx s LEU 37 Ca 0.00 -0.47 -0.27 0.00 -0.22 0.00 0.00 54.13 53.17 2jwx s LEU 37 Cb 0.00 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 2jwx s LEU 37 CO 0.00 0.06 1.73 1.51 -1.32 0.00 0.00 176.35 178.34 2jwx s ASP 38 N 0.96 5.59 0.08 3.68 -4.77 -1.26 -1.78 116.67 119.17 2jwx s ASP 38 Ca -0.02 0.46 -0.19 0.00 -3.30 0.00 0.00 52.55 49.50 2jwx s ASP 38 Cb -0.15 -2.53 -0.08 0.00 -1.09 0.00 0.00 42.92 39.07 2jwx s ASP 38 CO -0.02 -2.10 1.52 0.40 0.70 0.00 0.00 175.17 175.67 2jwx h ILE 39 N 6.73 1.26 -0.01 2.11 2.04 -1.19 -3.06 117.51 125.39 2jwx h ILE 39 Ca -0.28 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.68 2jwx h ILE 39 Cb 1.14 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 2jwx h ILE 39 CO 1.18 0.28 -0.37 0.18 0.00 0.00 0.00 178.15 179.42 2jwx n LEU 40 N -4.63 1.49 -0.64 1.44 7.99 -1.26 -4.90 117.00 116.49 2jwx n LEU 40 Ca -0.04 -0.73 -0.08 0.00 -0.01 0.00 0.00 56.01 55.15 2jwx n LEU 40 Cb 0.24 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.52 2jwx n LEU 40 CO 0.38 0.29 -0.08 0.61 -1.51 0.00 0.00 177.39 177.08 2jwx n GLY 41 N 1.16 0.97 0.15 -0.72 0.00 -1.16 -4.86 105.19 100.74 2jwx n GLY 41 Ca 0.06 -0.31 0.06 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.87 -3.47 115.58 110.78 2jwx h ASN 42 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.20 2jwx h ASN 42 Cb 0.73 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.98 2jwx h ASN 42 CO 0.25 0.30 0.00 0.61 0.07 0.00 0.00 177.43 178.66 2jwx n GLY 43 N 1.21 2.89 0.14 9.14 0.00 -1.26 -4.72 105.19 112.59 2jwx n GLY 43 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -7.82 0.99 -0.00 -1.91 -3.43 115.31 103.14 2jwx h LEU 44 Ca 0.00 0.00 -0.65 0.00 -0.00 0.00 0.00 57.88 57.23 2jwx h LEU 44 Cb 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 40.66 40.29 2jwx h LEU 44 CO 0.00 0.51 -0.80 -0.22 -0.00 0.00 0.00 178.44 177.93 2jwx s LEU 45 N -6.60 3.14 -0.00 1.67 1.98 -1.24 -1.94 118.68 115.68 2jwx s LEU 45 Ca 0.03 -1.30 0.00 0.00 -2.89 0.00 0.00 54.13 49.97 2jwx s LEU 45 Cb 0.08 -1.45 0.00 0.00 0.66 0.00 0.00 46.19 45.49 2jwx s LEU 45 CO 0.74 -0.19 -0.00 -0.13 -1.89 0.00 0.00 176.35 174.88 2jwx s ARG 46 N 1.19 0.01 -0.11 1.98 0.52 0.39 -0.54 118.95 122.38 2jwx s ARG 46 Ca -0.07 0.00 -0.03 0.00 -0.52 0.00 0.00 55.73 55.11 2jwx s ARG 46 Cb -0.19 -0.01 -0.03 0.00 0.52 0.00 0.00 34.95 35.23 2jwx s ARG 46 CO -0.06 -0.00 0.00 0.21 0.02 0.00 0.00 175.30 175.47 2jwx s LYS 47 N 0.02 3.21 -0.18 3.54 2.20 -0.73 0.05 119.74 127.85 2jwx s LYS 47 Ca -0.00 -0.42 0.01 0.00 -0.36 0.00 0.00 55.97 55.20 2jwx s LYS 47 Cb -0.00 -2.86 0.03 0.00 -1.51 0.00 0.00 37.83 33.49 2jwx s LYS 47 CO -0.00 0.58 -0.17 0.21 -0.36 0.00 0.00 175.35 175.60 2jwx s LYS 48 N -0.53 2.70 -0.60 4.03 2.20 0.46 -1.15 119.74 126.85 2jwx s LYS 48 Ca 0.09 -0.82 -0.27 0.00 -0.36 0.00 0.00 55.97 54.61 2jwx s LYS 48 Cb -0.12 -2.49 -0.01 0.00 -1.51 0.00 0.00 37.83 33.70 2jwx s LYS 48 CO 0.02 -0.27 1.68 0.95 -0.36 0.00 0.00 175.35 177.37 2jwx s THR 49 N 1.32 3.50 -0.01 3.43 -4.23 -1.26 -1.25 115.64 117.14 2jwx s THR 49 Ca 0.03 0.34 -0.20 0.00 -1.18 0.00 0.00 61.69 60.68 2jwx s THR 49 Cb -0.14 -4.17 -0.25 0.00 1.34 0.00 0.00 72.50 69.28 2jwx s THR 49 CO -0.11 -1.07 1.06 -0.07 -0.54 0.00 0.00 174.62 173.88 2jwx h LEU 50 N 15.04 0.50 -7.50 4.79 3.38 -1.79 -3.36 115.31 126.36 2jwx h LEU 50 Ca -0.27 -0.79 -0.40 0.00 0.09 0.00 0.00 57.88 56.50 2jwx h LEU 50 Cb 1.13 -0.15 -0.37 0.00 0.09 0.00 0.00 40.66 41.36 2jwx h LEU 50 CO 1.21 1.23 -0.76 -0.69 0.09 0.00 0.00 178.44 179.52 2jwx s VAL 51 N -3.08 0.27 -0.08 1.22 1.01 -0.41 -5.02 120.40 114.32 2jwx s VAL 51 Ca -0.13 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 2jwx s VAL 51 Cb 0.03 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 2jwx s VAL 51 CO 0.82 0.22 0.09 -2.16 0.00 0.00 0.00 175.10 174.07 2jwx s PRO 52 N 1.71 3.24 0.66 2.72 0.04 -1.26 0.01 135.00 142.11 2jwx s PRO 52 Ca 0.00 -0.29 -0.17 0.00 0.04 0.00 0.00 61.00 60.58 2jwx s PRO 52 Cb -0.13 -3.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 2jwx s PRO 52 CO -0.04 0.72 1.08 0.41 0.04 0.00 0.00 177.00 179.21 2jwx n GLY 53 N 1.79 -0.06 3.20 0.56 0.00 -1.26 -4.77 105.19 104.63 2jwx n GLY 53 Ca -0.17 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 2jwx n GLY 53 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jwx n PRO 54 N -1.60 -1.40 0.00 1.61 -0.02 -1.26 -4.72 135.00 127.60 2jwx n PRO 54 Ca 0.14 -0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 2jwx n PRO 54 Cb 0.48 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 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 -1.20 0.00 0.00 0.52 -0.02 -1.26 -3.15 135.00 129.89 2jwx n PRO 55 Ca 0.01 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2jwx n PRO 55 Cb 0.62 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 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 -1.08 -0.00 7.00 -1.23 0.00 -1.26 -4.57 105.19 104.04 2jwx n GLY 56 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.81 0.00 -3.72 1.61 7.64 -1.19 -3.03 113.62 113.13 2jwx n SER 57 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 2jwx n SER 57 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 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 -0.41 -0.83 6.43 0.01 -1.26 0.35 113.70 113.99 2jwx s SER 58 Ca 0.00 0.74 -0.02 0.00 1.31 0.00 0.00 55.95 57.98 2jwx s SER 58 Cb 0.00 0.65 0.21 0.00 0.21 0.00 0.00 66.02 67.08 2jwx s SER 58 CO 0.00 -0.17 0.71 -0.13 0.41 0.00 0.00 173.24 174.05 2jwx s ARG 59 N 1.15 3.13 0.83 12.44 1.81 -1.24 -1.28 118.95 135.79 2jwx s ARG 59 Ca -0.08 -3.10 -0.11 0.00 -1.72 0.00 0.00 55.73 50.72 2jwx s ARG 59 Cb -0.08 -3.92 0.09 0.00 -0.45 0.00 0.00 34.95 30.59 2jwx s ARG 59 CO -0.09 -1.25 1.09 -1.25 -0.68 0.00 0.00 175.30 173.12 2jwx s PRO 60 N -1.03 1.81 0.16 3.54 0.04 -1.26 -4.79 135.00 133.46 2jwx s PRO 60 Ca 0.25 1.04 0.10 0.00 0.04 0.00 0.00 61.00 62.43 2jwx s PRO 60 Cb -0.10 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2jwx s PRO 60 CO -0.10 -1.92 -0.19 0.14 0.04 0.00 0.00 177.00 174.97 2jwx s VAL 61 N -2.91 2.67 -0.67 -0.36 -7.23 -1.26 -4.63 120.40 106.00 2jwx s VAL 61 Ca 0.62 -1.74 -0.33 0.00 -1.81 0.00 0.00 61.98 58.72 2jwx s VAL 61 Cb -0.18 -2.26 -0.16 0.00 0.56 0.00 0.00 36.38 34.34 2jwx s VAL 61 CO 0.56 -0.02 2.45 0.29 -0.31 0.00 0.00 175.10 178.08 2jwx n LYS 62 N 0.48 0.47 0.00 4.82 5.02 -1.26 -1.06 118.16 126.62 2jwx n LYS 62 Ca -0.14 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2jwx n LYS 62 Cb 0.54 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 2jwx n LYS 62 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jwx n GLY 63 N 6.54 0.75 3.75 0.72 0.00 0.14 -4.73 105.19 112.36 2jwx n GLY 63 Ca 0.53 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.15 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 4.41 -0.11 1.61 -1.52 -0.23 -2.30 119.66 121.52 2jwx s GLN 64 Ca 0.00 0.88 -0.29 0.00 -1.95 0.00 0.00 55.36 54.00 2jwx s GLN 64 Cb 0.00 -3.36 -0.03 0.00 -0.22 0.00 0.00 33.01 29.40 2jwx s GLN 64 CO 0.00 0.29 1.36 0.14 -0.25 0.00 0.00 175.29 176.83 2jwx s VAL 65 N -0.01 4.07 -0.13 1.09 -7.23 0.15 -2.50 120.40 115.84 2jwx s VAL 65 Ca 0.35 1.32 0.00 0.00 -1.81 0.00 0.00 61.98 61.84 2jwx s VAL 65 Cb -0.19 -3.85 -0.01 0.00 0.56 0.00 0.00 36.38 32.89 2jwx s VAL 65 CO 0.20 -0.10 -0.14 0.68 -0.31 0.00 0.00 175.10 175.43 2jwx s VAL 66 N 3.40 2.89 -0.43 1.32 -7.23 -1.06 -1.63 120.40 117.66 2jwx s VAL 66 Ca 0.60 -0.71 -0.23 0.00 -1.81 0.00 0.00 61.98 59.83 2jwx s VAL 66 Cb -0.25 -2.21 0.02 0.00 0.56 0.00 0.00 36.38 34.50 2jwx s VAL 66 CO 0.20 0.52 0.78 0.42 -0.31 0.00 0.00 175.10 176.71 2jwx s THR 67 N 0.46 4.68 -0.14 5.32 -4.23 -0.71 -2.43 115.64 118.59 2jwx s THR 67 Ca -0.10 0.53 0.02 0.00 -1.18 0.00 0.00 61.69 60.96 2jwx s THR 67 Cb -0.16 -4.28 0.01 0.00 1.34 0.00 0.00 72.50 69.41 2jwx s THR 67 CO 0.05 -0.63 -0.20 0.68 -0.54 0.00 0.00 174.62 173.97 2jwx s VAL 68 N 3.22 1.96 -0.36 2.29 -7.23 0.70 -2.22 120.40 118.75 2jwx s VAL 68 Ca 0.30 -0.91 -0.26 0.00 -1.81 0.00 0.00 61.98 59.30 2jwx s VAL 68 Cb -0.12 -1.75 0.01 0.00 0.56 0.00 0.00 36.38 35.08 2jwx s VAL 68 CO 0.21 0.53 0.92 -2.28 -0.31 0.00 0.00 175.10 174.17 2jwx s HIS 69 N 0.94 3.09 -0.01 2.82 2.46 0.33 0.37 115.29 125.29 2jwx s HIS 69 Ca -0.05 0.78 0.08 0.00 0.47 0.00 0.00 55.06 56.34 2jwx s HIS 69 Cb -0.15 -3.62 -0.02 0.00 -0.13 0.00 0.00 32.58 28.66 2jwx s HIS 69 CO -0.04 -0.81 -0.24 -0.48 -2.47 0.00 0.00 174.74 170.70 2jwx s LEU 70 N 3.44 2.23 -0.21 8.88 2.34 -0.82 0.13 118.68 134.68 2jwx s LEU 70 Ca 0.38 -0.45 -0.01 0.00 0.06 0.00 0.00 54.13 54.11 2jwx s LEU 70 Cb -0.12 -1.38 0.06 0.00 -0.56 0.00 0.00 46.19 44.19 2jwx s LEU 70 CO 0.18 0.31 -0.01 -1.10 -1.06 0.00 0.00 176.35 174.67 2jwx s GLN 71 N -0.84 1.10 -0.07 1.48 1.11 -0.89 0.17 119.66 121.73 2jwx s GLN 71 Ca 0.11 -0.69 -0.16 0.00 0.01 0.00 0.00 55.36 54.62 2jwx s GLN 71 Cb -0.10 -2.34 -0.05 0.00 -1.01 0.00 0.00 33.01 29.51 2jwx s GLN 71 CO 0.00 -0.62 0.43 0.99 0.01 0.00 0.00 175.29 176.10 2jwx s THR 72 N 1.64 5.12 -0.01 -0.19 2.01 -0.54 -2.67 115.64 121.01 2jwx s THR 72 Ca -0.03 0.87 0.01 0.00 0.31 0.00 0.00 61.69 62.85 2jwx s THR 72 Cb -0.18 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2jwx s THR 72 CO -0.07 0.44 0.01 -0.44 -0.69 0.00 0.00 174.62 173.87 2jwx s SER 73 N -0.12 5.18 0.98 3.53 0.01 0.64 0.23 113.70 124.15 2jwx s SER 73 Ca 0.24 0.01 -0.12 0.00 1.31 0.00 0.00 55.95 57.39 2jwx s SER 73 Cb -0.16 -1.37 0.18 0.00 0.21 0.00 0.00 66.02 64.88 2jwx s SER 73 CO 0.11 0.28 1.08 -0.22 0.41 0.00 0.00 173.24 174.91 2jwx s LEU 74 N -1.54 1.79 0.57 2.44 1.98 0.21 -0.59 118.68 123.55 2jwx s LEU 74 Ca 0.20 1.40 0.27 0.00 -2.89 0.00 0.00 54.13 53.11 2jwx s LEU 74 Cb -0.12 -3.64 1.71 0.00 0.66 0.00 0.00 46.19 44.80 2jwx s LEU 74 CO 0.10 -3.11 2.23 1.05 -1.89 0.00 0.00 176.35 174.73 2jwx h GLU 75 N -1.87 0.00 0.00 1.98 4.11 -1.71 0.44 114.58 117.52 2jwx h GLU 75 Ca -0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.90 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 0.55 0.01 0.00 0.09 0.07 0.00 0.00 179.01 179.73 2jwx n ASN 76 N -3.94 0.00 0.00 3.06 3.02 -1.26 -4.87 115.26 111.26 2jwx n ASN 76 Ca -0.03 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 2jwx n ASN 76 Cb 0.10 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 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 0.82 2.77 3.60 7.41 0.00 0.15 -4.99 105.19 114.95 2jwx n GLY 77 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.16 3.41 -0.18 2.61 2.01 -1.25 -4.33 115.64 115.74 2jwx s THR 78 Ca 0.00 0.41 -0.34 0.00 0.31 0.00 0.00 61.69 62.07 2jwx s THR 78 Cb 0.00 -3.59 -0.11 0.00 0.01 0.00 0.00 72.50 68.81 2jwx s THR 78 CO 0.00 -0.39 1.98 0.54 -0.69 0.00 0.00 174.62 176.05 2jwx n ARG 79 N 8.52 1.83 0.00 4.92 5.12 -1.26 0.67 116.66 136.46 2jwx n ARG 79 Ca 0.24 0.63 0.05 0.00 -1.93 0.00 0.00 57.85 56.83 2jwx n ARG 79 Cb 0.47 -2.63 -0.04 0.00 -1.16 0.00 0.00 32.46 29.10 2jwx n ARG 79 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2jwx n VAL 80 N 5.84 0.00 -3.51 1.55 0.24 0.14 -4.91 118.33 117.68 2jwx n VAL 80 Ca 0.28 -0.30 -0.13 0.00 -2.04 0.00 0.00 64.34 62.14 2jwx n VAL 80 Cb 0.28 1.03 -0.04 0.00 -1.47 0.00 0.00 33.84 33.65 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 -1.78 1.14 -0.25 7.34 1.03 -1.19 -4.65 119.66 121.31 2jwx s GLN 81 Ca 0.05 -0.33 -0.02 0.00 0.04 0.00 0.00 55.36 55.10 2jwx s GLN 81 Cb 0.08 0.52 0.13 0.00 0.03 0.00 0.00 33.01 33.77 2jwx s GLN 81 CO 0.36 -0.45 0.33 -2.00 -2.54 0.00 0.00 175.29 171.00 2jwx s GLU 82 N -3.00 0.32 -0.43 9.60 2.12 -1.26 -1.47 118.70 124.58 2jwx s GLU 82 Ca -0.02 0.25 -0.09 0.00 0.36 0.00 0.00 54.97 55.47 2jwx s GLU 82 Cb -0.00 -0.63 0.09 0.00 0.26 0.00 0.00 34.13 33.85 2jwx s GLU 82 CO -0.06 -0.80 0.28 -1.21 -0.54 0.00 0.00 175.26 172.92 2jwx s GLU 83 N 2.46 2.52 -1.21 4.30 0.41 0.13 -4.98 118.70 122.33 2jwx s GLU 83 Ca 0.10 -1.58 -0.21 0.00 -0.41 0.00 0.00 54.97 52.88 2jwx s GLU 83 Cb -0.15 -3.80 -0.01 0.00 -1.78 0.00 0.00 34.13 28.39 2jwx s GLU 83 CO -0.22 -1.03 1.82 -2.14 -0.49 0.00 0.00 175.26 173.20 2jwx s PRO 84 N 1.38 3.21 0.00 0.39 0.02 -1.26 -1.93 135.00 136.80 2jwx s PRO 84 Ca 0.04 -1.47 0.00 0.00 0.02 0.00 0.00 61.00 59.59 2jwx s PRO 84 Cb -0.24 -5.37 0.00 0.00 0.02 0.00 0.00 34.50 28.91 2jwx s PRO 84 CO 0.01 -3.10 0.00 0.39 -0.33 0.00 0.00 177.00 173.97 2jwx n GLU 85 N 8.40 0.00 -3.72 5.54 1.02 -1.25 -4.94 120.64 125.69 2jwx n GLU 85 Ca 0.46 0.15 -0.38 0.00 -0.02 0.00 0.00 57.16 57.37 2jwx n GLU 85 Cb 0.47 -0.31 -0.12 0.00 -0.02 0.00 0.00 31.44 31.46 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 4.43 -0.12 -4.62 2.96 0.16 -4.76 118.68 116.73 2jwx s LEU 86 Ca 0.00 -1.13 -0.02 0.00 -0.22 0.00 0.00 54.13 52.76 2jwx s LEU 86 Cb 0.00 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 2jwx s LEU 86 CO 0.00 -0.35 -0.05 0.54 -1.32 0.00 0.00 176.35 175.18 2jwx s VAL 87 N 1.43 3.83 0.19 1.68 0.11 -1.22 -0.22 120.40 126.20 2jwx s VAL 87 Ca -0.01 -0.40 -0.14 0.00 -2.93 0.00 0.00 61.98 58.50 2jwx s VAL 87 Cb -0.20 -2.63 0.01 0.00 -1.53 0.00 0.00 36.38 32.03 2jwx s VAL 87 CO 0.03 0.54 0.43 0.72 -3.33 0.00 0.00 175.10 173.50 2jwx s PHE 88 N -0.14 0.16 -0.56 1.54 -0.71 -1.02 -4.94 117.98 112.31 2jwx s PHE 88 Ca 0.02 -0.51 -0.28 0.00 -1.04 0.00 0.00 56.93 55.12 2jwx s PHE 88 Cb -0.13 0.20 0.01 0.00 -1.21 0.00 0.00 43.02 41.89 2jwx s PHE 88 CO 0.03 -0.86 1.46 0.99 -1.34 0.00 0.00 175.22 175.49 2jwx s THR 89 N -3.93 3.74 0.25 -4.49 2.01 -1.26 -2.55 115.64 109.41 2jwx s THR 89 Ca 0.14 0.63 -0.31 0.00 0.31 0.00 0.00 61.69 62.46 2jwx s THR 89 Cb 0.01 -4.38 -0.13 0.00 0.01 0.00 0.00 72.50 68.00 2jwx s THR 89 CO 0.00 -1.13 1.40 -0.11 -0.69 0.00 0.00 174.62 174.10 2jwx n LEU 90 N 9.82 3.22 0.00 4.42 7.94 -1.04 -2.16 117.00 139.19 2jwx n LEU 90 Ca 0.13 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.18 2jwx n LEU 90 Cb 0.49 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 43.00 2jwx n LEU 90 CO 0.71 -0.46 0.00 0.61 -1.11 0.00 0.00 177.39 177.14 2jwx n GLY 91 N 2.01 0.32 1.02 -3.96 0.00 -1.22 0.27 105.19 103.64 2jwx n GLY 91 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 2jwx n GLY 91 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jwx n ASP 92 N -0.37 3.15 -3.20 1.61 2.03 -0.92 -4.93 116.55 113.93 2jwx n ASP 92 Ca 0.00 -1.98 -0.23 0.00 0.52 0.00 0.00 54.79 53.10 2jwx n ASP 92 Cb 0.19 -0.10 0.04 0.00 -0.72 0.00 0.00 41.12 40.53 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 -1.68 0.00 -0.15 0.00 1.82 -1.93 -3.44 116.42 111.04 2jwx h ASP 94 Ca -0.54 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.10 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 0.57 0.08 0.00 1.33 -1.61 0.00 0.00 179.24 179.61 2jwx n VAL 95 N -3.61 0.00 -2.63 2.25 0.24 -1.26 -4.99 118.33 108.34 2jwx n VAL 95 Ca -0.02 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.88 2jwx n VAL 95 Cb 0.20 0.00 -0.05 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 1.68 3.96 0.50 1.34 -4.36 -1.26 -4.89 121.20 118.16 2jwx s ILE 96 Ca 0.00 1.83 0.26 0.00 -0.26 0.00 0.00 60.65 62.49 2jwx s ILE 96 Cb 0.00 -4.17 0.44 0.00 1.25 0.00 0.00 42.46 39.98 2jwx s ILE 96 CO 0.00 0.38 1.88 -0.61 0.24 0.00 0.00 174.94 176.84 2jwx h GLN 97 N 4.56 0.13 -0.37 0.37 5.75 -1.13 0.21 115.11 124.63 2jwx h GLN 97 Ca -0.45 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.12 2jwx h GLN 97 Cb 1.21 -0.03 -0.08 0.00 1.07 0.00 0.00 27.48 29.65 2jwx h GLN 97 CO 0.70 0.09 -0.19 0.00 -2.65 0.00 0.00 178.83 176.77 2jwx h ALA 98 N 1.59 0.08 0.01 3.38 0.00 -0.70 -1.94 119.26 121.68 2jwx h ALA 98 Ca 0.43 0.13 -0.22 0.00 0.00 0.00 0.00 54.91 55.26 2jwx h ALA 98 Cb 1.48 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 2jwx h ALA 98 CO -0.07 -0.57 -1.02 1.25 0.00 0.00 0.00 179.25 178.84 2jwx h LEU 99 N -0.13 0.05 -0.73 0.00 5.85 -0.91 -2.22 115.31 117.22 2jwx h LEU 99 Ca 0.18 -0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 2jwx h LEU 99 Cb 0.42 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2jwx h LEU 99 CO -0.45 1.04 -0.42 -0.78 -0.34 0.00 0.00 178.44 177.48 2jwx h ASP 100 N 0.01 0.50 0.39 1.25 3.58 -0.87 -2.56 116.42 118.71 2jwx h ASP 100 Ca -0.02 -0.22 -0.31 0.00 0.42 0.00 0.00 57.03 56.89 2jwx h ASP 100 Cb 1.78 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 42.66 2jwx h ASP 100 CO 0.14 0.86 -1.78 -0.07 -2.88 0.00 0.00 179.24 175.51 2jwx h LEU 101 N 0.39 0.14 -0.35 2.28 3.38 -1.45 -3.22 115.31 116.48 2jwx h LEU 101 Ca 0.03 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.54 2jwx h LEU 101 Cb 0.90 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2jwx h LEU 101 CO 0.08 1.27 -0.37 0.77 0.09 0.00 0.00 178.44 180.28 2jwx h SER 102 N 0.02 0.93 0.04 -0.43 4.64 -1.13 -2.75 113.55 114.87 2jwx h SER 102 Ca -0.32 -0.47 0.02 0.00 -0.47 0.00 0.00 61.79 60.55 2jwx h SER 102 Cb 2.02 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 63.82 2jwx h SER 102 CO 0.09 1.21 -0.17 0.58 -0.87 0.00 0.00 176.83 177.67 2jwx h VAL 103 N 0.66 0.59 0.00 0.95 2.07 -1.70 0.66 116.25 119.48 2jwx h VAL 103 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2jwx h VAL 103 Cb 0.96 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 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 -5.30 0.22 0.00 1.57 -0.05 -1.20 0.01 135.00 130.25 2jwx n PRO 104 Ca -0.06 0.14 0.12 0.00 -0.05 0.00 0.00 63.50 63.65 2jwx n PRO 104 Cb 0.22 -1.50 0.08 0.00 -0.05 0.00 0.00 33.50 32.25 2jwx n PRO 104 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 2jwx n LEU 105 N -1.26 2.35 -4.79 1.53 4.77 0.03 -4.84 117.00 114.79 2jwx n LEU 105 Ca 0.07 -0.82 -0.22 0.00 -0.03 0.00 0.00 56.01 55.01 2jwx n LEU 105 Cb 0.10 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 2jwx n LEU 105 CO 0.10 0.41 -0.11 0.00 -1.33 0.00 0.00 177.39 176.46 2jwx s MET 106 N -2.27 2.44 0.15 3.23 0.23 0.10 -4.77 119.30 118.41 2jwx s MET 106 Ca 0.23 -1.58 0.04 0.00 -1.03 0.00 0.00 55.69 53.36 2jwx s MET 106 Cb 0.19 -2.23 -0.04 0.00 -1.53 0.00 0.00 34.83 31.22 2jwx s MET 106 CO 0.45 -0.04 0.16 -0.51 -2.03 0.00 0.00 175.02 173.05 2jwx s ASP 107 N -3.97 5.69 0.08 -1.18 1.11 -1.26 -4.65 116.67 112.49 2jwx s ASP 107 Ca 0.42 -0.05 -0.31 0.00 0.18 0.00 0.00 52.55 52.80 2jwx s ASP 107 Cb -0.02 -1.55 -0.08 0.00 1.07 0.00 0.00 42.92 42.35 2jwx s ASP 107 CO 0.25 0.08 1.59 -0.69 1.18 0.00 0.00 175.17 177.58 2jwx s VAL 108 N -1.69 3.08 0.00 -1.27 1.01 -0.40 -1.87 120.40 119.25 2jwx s VAL 108 Ca 0.31 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.88 2jwx s VAL 108 Cb -0.11 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2jwx s VAL 108 CO 0.24 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.96 2jwx n GLY 109 N 3.88 0.40 3.90 4.51 0.00 0.53 -4.31 105.19 114.10 2jwx n GLY 109 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.81 3.60 -0.20 1.61 2.12 -0.78 -4.51 118.70 119.73 2jwx s GLU 110 Ca 0.00 0.19 -0.02 0.00 0.36 0.00 0.00 54.97 55.51 2jwx s GLU 110 Cb 0.00 -2.44 0.06 0.00 0.26 0.00 0.00 34.13 32.01 2jwx s GLU 110 CO 0.00 -0.08 0.00 0.99 -0.54 0.00 0.00 175.26 175.63 2jwx s THR 111 N -2.54 0.84 -0.02 -1.70 2.01 0.10 -2.61 115.64 111.71 2jwx s THR 111 Ca 0.47 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.80 2jwx s THR 111 Cb -0.10 -1.23 0.00 0.00 0.01 0.00 0.00 72.50 71.18 2jwx s THR 111 CO 0.39 -0.12 -0.10 0.00 -0.69 0.00 0.00 174.62 174.10 2jwx s ALA 112 N 1.72 0.88 -0.28 7.40 0.00 -0.83 -1.29 121.76 129.36 2jwx s ALA 112 Ca -0.02 -0.37 -0.16 0.00 0.00 0.00 0.00 51.96 51.42 2jwx s ALA 112 Cb -0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2jwx s ALA 112 CO -0.07 0.16 0.41 1.41 0.00 0.00 0.00 175.76 177.66 2jwx s MET 113 N 0.10 3.93 -0.22 0.00 -2.45 -0.38 -0.01 119.30 120.26 2jwx s MET 113 Ca -0.02 0.01 -0.05 0.00 -1.25 0.00 0.00 55.69 54.39 2jwx s MET 113 Cb -0.08 -3.69 -0.02 0.00 1.25 0.00 0.00 34.83 32.30 2jwx s MET 113 CO 0.00 -0.35 0.00 0.08 1.05 0.00 0.00 175.02 175.80 2jwx s VAL 114 N 2.14 3.81 -0.38 10.11 1.01 0.81 -0.40 120.40 137.50 2jwx s VAL 114 Ca 0.16 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 2jwx s VAL 114 Cb -0.16 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.49 2jwx s VAL 114 CO 0.10 0.40 0.71 0.42 0.00 0.00 0.00 175.10 176.73 2jwx s THR 115 N 1.39 4.80 -0.06 3.92 -4.23 0.11 -0.12 115.64 121.44 2jwx s THR 115 Ca 0.05 0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 61.19 2jwx s THR 115 Cb -0.15 -4.16 0.03 0.00 1.34 0.00 0.00 72.50 69.56 2jwx s THR 115 CO 0.00 -0.43 -0.01 0.00 -0.54 0.00 0.00 174.62 173.65 2jwx s ALA 116 N 2.93 0.65 0.74 3.99 0.00 -0.22 -0.46 121.76 129.39 2jwx s ALA 116 Ca 0.27 -0.08 -0.16 0.00 0.00 0.00 0.00 51.96 52.00 2jwx s ALA 116 Cb -0.14 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 2jwx s ALA 116 CO 0.17 -0.31 0.75 -3.47 0.00 0.00 0.00 175.76 172.90 2jwx n ASP 117 N 4.78 -0.40 0.24 0.00 -0.08 -0.82 0.12 116.55 120.38 2jwx n ASP 117 Ca -0.13 0.60 0.06 0.00 -1.51 0.00 0.00 54.79 53.81 2jwx n ASP 117 Cb 0.50 -1.32 0.56 0.00 2.34 0.00 0.00 41.12 43.20 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 -0.45 0.00 -0.16 1.67 0.87 -1.51 0.45 113.55 114.42 2jwx h SER 118 Ca -0.46 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.15 2jwx h SER 118 Cb 1.33 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 2jwx h SER 118 CO 0.44 0.11 0.17 0.07 -0.53 0.00 0.00 176.83 177.09 2jwx h LYS 119 N 0.00 0.00 -0.01 2.24 2.10 -1.86 1.57 116.57 120.61 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 0.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 2jwx h LYS 119 CO 0.01 0.00 -0.55 0.66 -2.00 0.00 0.00 179.45 177.57 2jwx n TYR 120 N -3.90 0.00 0.00 0.07 4.02 0.13 -4.69 117.16 112.80 2jwx n TYR 120 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2jwx n TYR 120 Cb 0.29 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 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 -1.38 0.00 0.03 0.00 4.01 0.33 -4.59 117.16 115.56 2jwx n TYR 122 Ca 0.00 -0.14 -0.01 0.00 -0.16 0.00 0.00 57.90 57.59 2jwx n TYR 122 Cb 0.00 -0.07 -0.01 0.00 -0.31 0.00 0.00 39.34 38.95 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 0.19 -0.26 -1.37 2.72 0.00 0.15 0.26 103.07 104.77 2jwx h GLY 123 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2jwx h GLY 123 CO 0.02 -0.09 0.00 -1.55 0.00 0.00 0.00 176.54 174.91 2jwx n PRO 124 N -2.30 1.95 0.00 4.80 -0.04 -1.26 -4.39 135.00 133.76 2jwx n PRO 124 Ca -0.01 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 2jwx n PRO 124 Cb 0.03 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.26 0.00 -0.87 0.54 6.02 -1.13 -5.14 117.38 117.05 2jwx n GLN 125 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 2jwx n GLN 125 Cb 0.38 -0.91 0.00 0.00 1.02 0.00 0.00 30.24 30.73 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 3.22 -3.84 3.96 1.08 0.00 0.90 -4.96 105.19 105.55 2jwx n GLY 126 Ca 0.00 -0.93 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.98 5.69 0.06 1.61 0.15 -1.21 -4.81 113.70 112.20 2jwx s SER 127 Ca 0.00 0.18 -0.36 0.00 0.70 0.00 0.00 55.95 56.46 2jwx s SER 127 Cb 0.00 -1.33 -0.20 0.00 -1.71 0.00 0.00 66.02 62.78 2jwx s SER 127 CO 0.00 -0.81 1.55 0.08 1.20 0.00 0.00 173.24 175.26 2jwx h ARG 128 N 0.34 -1.24 0.00 5.44 0.11 -1.98 -3.34 114.38 113.70 2jwx h ARG 128 Ca -0.45 0.08 -0.04 0.00 0.10 0.00 0.00 59.98 59.67 2jwx h ARG 128 Cb 1.26 0.28 -0.01 0.00 1.11 0.00 0.00 29.97 32.62 2jwx h ARG 128 CO 0.56 -0.83 -0.47 1.03 0.10 0.00 0.00 179.97 180.36 2jwx h SER 129 N -1.29 0.00 -3.62 0.08 0.87 -1.96 -3.45 113.55 104.18 2jwx h SER 129 Ca -0.13 -0.18 -0.70 0.00 -1.23 0.00 0.00 61.79 59.55 2jwx h SER 129 Cb 1.00 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.70 2jwx h SER 129 CO 0.20 0.84 -0.56 -2.16 -0.53 0.00 0.00 176.83 174.62 2jwx s PRO 130 N -2.08 2.85 -0.22 2.24 0.05 -1.26 -5.03 135.00 131.54 2jwx s PRO 130 Ca -0.14 -1.04 -0.28 0.00 0.05 0.00 0.00 61.00 59.59 2jwx s PRO 130 Cb 0.02 -3.57 -0.05 0.00 0.05 0.00 0.00 34.50 30.94 2jwx s PRO 130 CO 0.27 -0.62 2.23 -0.47 0.05 0.00 0.00 177.00 178.45 2jwx s TYR 131 N 1.50 1.15 -0.38 0.56 6.14 -1.25 -3.36 117.35 121.71 2jwx s TYR 131 Ca 0.01 0.54 -0.29 0.00 0.64 0.00 0.00 57.07 57.97 2jwx s TYR 131 Cb -0.19 -3.92 0.02 0.00 0.42 0.00 0.00 41.96 38.29 2jwx s TYR 131 CO 0.05 -4.10 1.16 0.42 0.64 0.00 0.00 175.55 173.72 2jwx s ILE 132 N 8.35 4.29 -0.48 3.14 -1.09 -1.26 -4.82 121.20 129.32 2jwx s ILE 132 Ca 1.01 1.41 -0.28 0.00 -2.23 0.00 0.00 60.65 60.55 2jwx s ILE 132 Cb -0.33 -4.43 -0.14 0.00 -1.58 0.00 0.00 42.46 35.97 2jwx s ILE 132 CO 0.35 -0.71 1.68 -2.65 -1.23 0.00 0.00 174.94 172.38 2jwx n PRO 133 N 7.41 0.00 -1.63 2.79 -0.02 -1.26 -4.40 135.00 137.89 2jwx n PRO 133 Ca 0.13 0.00 -0.46 0.00 -2.02 0.00 0.00 63.50 61.14 2jwx n PRO 133 Cb 0.48 -1.08 -0.03 0.00 -0.02 0.00 0.00 33.50 32.85 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 5.64 1.66 -0.94 0.52 -0.02 -1.26 -0.07 135.00 140.54 2jwx n PRO 134 Ca 0.42 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 2jwx n PRO 134 Cb -0.01 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 1.63 0.00 -1.71 6.00 -0.00 -1.26 -4.93 115.22 114.95 2jwx n HIS 135 Ca 0.13 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.42 2jwx n HIS 135 Cb 0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.25 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 -3.79 3.14 -0.37 1.57 0.00 0.90 -4.19 121.76 119.03 2jwx s ALA 136 Ca 0.00 0.94 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 2jwx s ALA 136 Cb 0.00 -3.95 0.01 0.00 0.00 0.00 0.00 23.12 19.18 2jwx s ALA 136 CO 0.00 -2.20 1.31 0.00 0.00 0.00 0.00 175.76 174.88 2jwx s ALA 137 N 6.34 3.22 0.75 0.00 0.00 -1.26 -1.74 121.76 129.07 2jwx s ALA 137 Ca 0.91 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.68 2jwx s ALA 137 Cb -0.35 -3.85 0.04 0.00 0.00 0.00 0.00 23.12 18.96 2jwx s ALA 137 CO 0.37 -2.06 1.13 -0.51 0.00 0.00 0.00 175.76 174.68 2jwx s LEU 138 N 4.76 2.71 -0.28 0.00 1.43 0.12 -2.00 118.68 125.42 2jwx s LEU 138 Ca 0.57 1.01 -0.04 0.00 -1.03 0.00 0.00 54.13 54.64 2jwx s LEU 138 Cb -0.14 -3.68 0.10 0.00 0.03 0.00 0.00 46.19 42.50 2jwx s LEU 138 CO 0.28 -1.61 0.12 0.00 0.23 0.00 0.00 176.35 175.36 2jwx s LEU 140 N 2.05 2.96 -0.36 0.00 2.34 0.83 -0.26 118.68 126.24 2jwx s LEU 140 Ca 0.08 -0.36 -0.24 0.00 0.06 0.00 0.00 54.13 53.67 2jwx s LEU 140 Cb -0.16 -1.76 0.01 0.00 -0.56 0.00 0.00 46.19 43.72 2jwx s LEU 140 CO -0.33 -0.01 0.81 -0.70 -1.06 0.00 0.00 176.35 175.07 2jwx s GLU 141 N 1.43 3.78 0.02 1.48 2.12 -1.09 -0.14 118.70 126.30 2jwx s GLU 141 Ca 0.05 0.38 0.01 0.00 0.36 0.00 0.00 54.97 55.77 2jwx s GLU 141 Cb -0.14 -3.81 -0.04 0.00 0.26 0.00 0.00 34.13 30.40 2jwx s GLU 141 CO -0.02 -0.87 0.07 0.14 -0.54 0.00 0.00 175.26 174.04 2jwx s VAL 142 N 3.17 4.57 -0.27 3.70 -7.23 0.98 -2.09 120.40 123.24 2jwx s VAL 142 Ca 0.33 -0.54 0.02 0.00 -1.81 0.00 0.00 61.98 59.97 2jwx s VAL 142 Cb -0.13 -3.11 0.07 0.00 0.56 0.00 0.00 36.38 33.77 2jwx s VAL 142 CO 0.17 0.29 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.32 2jwx s THR 143 N -1.23 1.85 -0.31 5.32 2.01 0.12 -1.96 115.64 121.44 2jwx s THR 143 Ca 0.24 -1.59 -0.24 0.00 0.31 0.00 0.00 61.69 60.41 2jwx s THR 143 Cb -0.12 -2.13 0.00 0.00 0.01 0.00 0.00 72.50 70.27 2jwx s THR 143 CO 0.16 -0.21 0.82 -0.22 -0.69 0.00 0.00 174.62 174.48 2jwx s LEU 144 N 1.21 4.07 -0.10 4.42 0.20 -1.07 -0.51 118.68 126.90 2jwx s LEU 144 Ca -0.03 0.68 0.10 0.00 0.69 0.00 0.00 54.13 55.58 2jwx s LEU 144 Cb -0.19 -3.13 -0.15 0.00 -0.43 0.00 0.00 46.19 42.29 2jwx s LEU 144 CO -0.07 -0.66 0.07 2.29 -0.29 0.00 0.00 176.35 177.69 2jwx n LYS 145 N 6.30 1.91 -3.72 1.98 0.00 -0.94 -0.35 118.16 123.33 2jwx n LYS 145 Ca 0.05 -0.02 -0.12 0.00 -0.00 0.00 0.00 58.31 58.21 2jwx n LYS 145 Cb 0.48 -1.29 -0.10 0.00 -0.00 0.00 0.00 35.03 34.11 2jwx n LYS 145 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2jwx s THR 146 N -2.35 -0.01 -0.11 0.58 2.01 -1.24 -4.82 115.64 109.70 2jwx s THR 146 Ca -0.05 0.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.93 2jwx s THR 146 Cb 0.04 -0.58 0.06 0.00 0.01 0.00 0.00 72.50 72.02 2jwx s THR 146 CO 0.47 0.01 0.23 0.00 -0.69 0.00 0.00 174.62 174.64 2jwx s ALA 147 N 0.55 -0.44 -0.06 7.40 0.00 -1.25 -1.73 121.76 126.22 2jwx s ALA 147 Ca -0.03 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 52.66 2jwx s ALA 147 Cb -0.04 -0.91 0.02 0.00 0.00 0.00 0.00 23.12 22.19 2jwx s ALA 147 CO -0.03 -0.56 0.27 0.14 0.00 0.00 0.00 175.76 175.58 2jwx s VAL 148 N 2.22 0.03 0.15 0.00 -7.23 -0.65 -4.88 120.40 110.04 2jwx s VAL 148 Ca 0.00 -0.24 -0.31 0.00 -1.81 0.00 0.00 61.98 59.62 2jwx s VAL 148 Cb -0.12 -0.47 -0.09 0.00 0.56 0.00 0.00 36.38 36.26 2jwx s VAL 148 CO -0.08 -0.13 1.45 -0.62 -0.31 0.00 0.00 175.10 175.41 2jwx s ASP 149 N -0.51 6.74 0.00 4.85 2.15 -1.26 0.34 116.67 128.97 2jwx s ASP 149 Ca -0.06 2.46 0.00 0.00 0.43 0.00 0.00 52.55 55.38 2jwx s ASP 149 Cb -0.04 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 2jwx s ASP 149 CO 0.02 -0.70 0.64 -0.11 -0.17 0.00 0.00 175.17 174.85 2jwx n LEU 150 N 3.72 -0.01 0.32 -1.34 7.94 -1.14 -4.84 117.00 121.65 2jwx n LEU 150 Ca 0.11 -1.03 -0.13 0.00 -1.11 0.00 0.00 56.01 53.85 2jwx n LEU 150 Cb 0.41 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.30 2jwx n LEU 150 CO 0.60 0.82 0.35 -0.08 -1.11 0.00 0.00 177.39 177.96 2jwx h GLU 151 N 0.01 -0.83 0.00 1.96 4.22 -1.78 -3.46 114.58 114.70 2jwx h GLU 151 Ca -0.01 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.48 2jwx h GLU 151 Cb 1.12 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2jwx h GLU 151 CO -0.01 -0.56 0.00 0.72 -2.18 0.00 0.00 179.01 176.99 2jwx n HIS 152 N -5.29 0.00 -3.08 0.92 8.25 -1.26 -4.22 115.22 110.54 2jwx n HIS 152 Ca -0.11 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.22 2jwx n HIS 152 Cb 0.34 -0.03 0.06 0.00 1.12 0.00 0.00 29.99 31.48 2jwx n HIS 152 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jwx n HIS 153 N -0.40 -1.68 -3.70 4.41 -0.00 -1.26 -4.99 115.22 107.59 2jwx n HIS 153 Ca 0.00 0.67 -0.37 0.00 0.46 0.00 0.00 57.72 58.48 2jwx n HIS 153 Cb 0.00 -4.01 -0.09 0.00 -0.12 0.00 0.00 29.99 25.77 2jwx n HIS 153 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jwx s HIS 154 N -3.24 3.45 0.00 1.57 3.76 -1.26 -4.77 115.29 114.80 2jwx s HIS 154 Ca 0.14 -2.62 0.00 0.00 -0.15 0.00 0.00 55.06 52.44 2jwx s HIS 154 Cb -0.06 -3.24 0.00 0.00 1.11 0.00 0.00 32.58 30.38 2jwx s HIS 154 CO 0.50 -0.87 0.00 1.58 -0.85 0.00 0.00 174.74 175.10 2jwx n HIS 155 N 3.70 0.00 0.00 1.40 -0.00 -1.26 -5.01 115.22 114.05 2jwx n HIS 155 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 2jwx n HIS 155 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.38 2jwx n HIS 155 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jwx n HIS 156 N 0.00 0.00 -1.37 1.57 8.25 -1.26 -5.31 115.22 117.09 2jwx n HIS 156 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2jwx n HIS 156 Cb 0.00 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 30.76 2jwx n HIS 156 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56