#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwx n GLY 2 N 0.00 0.03 3.62 -5.12 0.00 -1.26 -4.72 105.19 97.73 2jwx n GLY 2 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.08 3.78 0.05 1.61 0.74 -1.26 -5.00 119.66 119.50 2jwx s GLN 3 Ca 0.00 0.99 -0.27 0.00 0.05 0.00 0.00 55.36 56.13 2jwx s GLN 3 Cb 0.00 -3.92 -0.05 0.00 1.10 0.00 0.00 33.01 30.14 2jwx s GLN 3 CO 0.00 -1.30 0.83 -1.25 -0.55 0.00 0.00 175.29 173.02 2jwx s PRO 4 N 4.42 4.55 0.38 1.67 0.05 -1.26 -5.05 135.00 139.76 2jwx s PRO 4 Ca 0.55 1.18 -0.25 0.00 0.05 0.00 0.00 61.00 62.53 2jwx s PRO 4 Cb -0.13 -3.38 -0.09 0.00 0.05 0.00 0.00 34.50 30.95 2jwx s PRO 4 CO 0.27 0.22 1.08 -1.25 0.05 0.00 0.00 177.00 177.37 2jwx s PRO 5 N 0.10 4.22 0.30 0.56 0.04 -1.26 -5.07 135.00 133.90 2jwx s PRO 5 Ca 0.42 1.62 0.03 0.00 0.04 0.00 0.00 61.00 63.10 2jwx s PRO 5 Cb -0.21 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.60 2jwx s PRO 5 CO 0.25 -0.11 0.09 0.00 0.04 0.00 0.00 177.00 177.27 2jwx s ALA 6 N -1.53 2.10 -0.23 8.56 0.00 -1.26 -5.08 121.76 124.32 2jwx s ALA 6 Ca 0.55 -1.86 -0.16 0.00 0.00 0.00 0.00 51.96 50.49 2jwx s ALA 6 Cb -0.25 0.89 -0.17 0.00 0.00 0.00 0.00 23.12 23.59 2jwx s ALA 6 CO 0.32 -0.40 -0.03 -0.85 0.00 0.00 0.00 175.76 174.80 2jwx n GLU 7 N -0.60 0.60 0.00 0.00 -0.00 -1.26 -4.96 120.64 114.42 2jwx n GLU 7 Ca -0.01 0.40 0.00 0.00 -0.00 0.00 0.00 57.16 57.55 2jwx n GLU 7 Cb 0.66 -1.63 0.00 0.00 -0.00 0.00 0.00 31.44 30.47 2jwx n GLU 7 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2jwx n GLU 8 N -4.20 0.00 -3.64 3.44 2.13 -1.26 -4.02 120.64 113.08 2jwx n GLU 8 Ca -0.42 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.24 2jwx n GLU 8 Cb 0.82 -1.21 -0.05 0.00 0.27 0.00 0.00 31.44 31.26 2jwx n GLU 8 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jwx n ALA 9 N 0.12 0.45 -0.04 4.31 0.00 -1.22 -4.32 120.51 119.80 2jwx n ALA 9 Ca 0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 53.44 51.99 2jwx n ALA 9 Cb 0.00 1.04 -0.01 0.00 0.00 0.00 0.00 19.45 20.48 2jwx n ALA 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jwx n GLU 10 N -0.56 0.27 -0.12 0.00 -0.58 -1.26 -4.54 120.64 113.84 2jwx n GLU 10 Ca -0.00 0.40 -0.24 0.00 -0.42 0.00 0.00 57.16 56.91 2jwx n GLU 10 Cb 0.43 -1.30 -0.08 0.00 -0.57 0.00 0.00 31.44 29.92 2jwx n GLU 10 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2jwx n GLN 11 N -3.66 0.56 0.21 3.49 3.00 -1.26 -4.62 117.38 115.10 2jwx n GLN 11 Ca -0.04 0.24 0.11 0.00 -0.01 0.00 0.00 57.00 57.29 2jwx n GLN 11 Cb 0.16 -1.44 0.23 0.00 0.00 0.00 0.00 30.24 29.19 2jwx n GLN 11 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2jwx h PRO 12 N -0.97 0.00 -4.67 -1.09 0.13 -1.91 -3.48 132.00 120.01 2jwx h PRO 12 Ca -0.50 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.41 2jwx h PRO 12 Cb 1.43 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.69 2jwx h PRO 12 CO -0.30 0.10 -0.58 0.41 -0.23 0.00 0.00 178.00 177.39 2jwx n GLY 13 N 0.93 -0.32 0.00 1.56 0.00 -1.26 -5.00 105.19 101.09 2jwx n GLY 13 Ca 0.03 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2jwx n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwx n ALA 14 N -3.03 0.00 -2.18 4.61 0.00 -1.26 -4.72 120.51 113.94 2jwx n ALA 14 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.90 2jwx n ALA 14 Cb 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 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 4.81 0.00 0.00 7.99 -1.26 -3.44 117.00 125.10 2jwx n LEU 15 Ca 0.00 -3.70 0.00 0.00 -0.01 0.00 0.00 56.01 52.30 2jwx n LEU 15 Cb 0.00 -1.67 0.00 0.00 -0.11 0.00 0.00 43.42 41.64 2jwx n LEU 15 CO 0.00 -0.15 0.00 0.00 -1.51 0.00 0.00 177.39 175.73 2jwx n ALA 16 N 9.21 0.00 -3.41 -1.18 0.00 -1.26 -5.10 120.51 118.77 2jwx n ALA 16 Ca 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.87 2jwx n ALA 16 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.88 2jwx n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jwx n ARG 17 N -0.09 0.27 -3.79 0.00 5.12 -1.26 -3.91 116.66 112.99 2jwx n ARG 17 Ca 0.00 -1.11 -0.04 0.00 -1.93 0.00 0.00 57.85 54.77 2jwx n ARG 17 Cb 0.00 1.05 -0.01 0.00 -1.16 0.00 0.00 32.46 32.34 2jwx n ARG 17 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2jwx s GLU 18 N -2.33 1.37 -0.31 5.56 1.03 -1.26 -4.80 118.70 117.97 2jwx s GLU 18 Ca 0.12 -0.78 -0.01 0.00 0.03 0.00 0.00 54.97 54.32 2jwx s GLU 18 Cb -0.00 0.45 0.00 0.00 -0.80 0.00 0.00 34.13 33.78 2jwx s GLU 18 CO 0.08 -0.63 0.05 1.19 -1.33 0.00 0.00 175.26 174.62 2jwx n PHE 19 N -0.50 -3.81 -0.03 4.83 3.72 0.20 -4.72 117.46 117.14 2jwx n PHE 19 Ca -0.05 1.68 0.02 0.00 -0.05 0.00 0.00 57.45 59.04 2jwx n PHE 19 Cb 0.60 -3.90 -0.11 0.00 -0.94 0.00 0.00 39.48 35.14 2jwx n PHE 19 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2jwx n LEU 20 N 0.65 0.00 -3.77 4.37 7.99 -0.57 -4.94 117.00 120.74 2jwx n LEU 20 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.88 2jwx n LEU 20 Cb 0.06 0.13 -0.11 0.00 -0.11 0.00 0.00 43.42 43.39 2jwx n LEU 20 CO 0.43 0.13 -0.04 0.00 -1.51 0.00 0.00 177.39 176.41 2jwx s ALA 21 N -2.70 -0.73 0.00 -1.18 0.00 -1.26 -5.08 121.76 110.81 2jwx s ALA 21 Ca -0.06 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2jwx s ALA 21 Cb 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2jwx s ALA 21 CO 0.56 -0.15 0.00 0.00 0.00 0.00 0.00 175.76 176.16 2jwx n ALA 22 N 2.71 0.00 -2.16 0.00 0.00 -1.26 -3.22 120.51 116.58 2jwx n ALA 22 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2jwx n ALA 22 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.09 0.00 -1.98 0.00 0.00 -1.23 -4.75 117.12 108.07 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 -4.43 -1.63 0.03 1.02 -1.26 -4.37 120.64 110.01 2jwx n GLU 24 Ca 0.00 3.27 -0.56 0.00 -0.02 0.00 0.00 57.16 59.85 2jwx n GLU 24 Cb 0.00 -3.78 -0.07 0.00 -0.02 0.00 0.00 31.44 27.57 2jwx n GLU 24 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2jwx n PRO 25 N 1.53 0.91 -3.03 3.49 -0.02 -1.26 -4.89 135.00 131.74 2jwx n PRO 25 Ca 0.00 0.33 -0.31 0.00 -2.02 0.00 0.00 63.50 61.51 2jwx n PRO 25 Cb 0.00 -1.96 -0.04 0.00 -0.02 0.00 0.00 33.50 31.48 2jwx n PRO 25 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2jwx s GLU 26 N 1.57 3.80 -0.49 -0.52 1.03 -1.26 -5.06 118.70 117.77 2jwx s GLU 26 Ca 0.91 0.42 -0.16 0.00 0.03 0.00 0.00 54.97 56.17 2jwx s GLU 26 Cb -1.07 -2.46 0.07 0.00 -0.80 0.00 0.00 34.13 29.87 2jwx s GLU 26 CO 0.57 0.07 0.46 -1.25 -1.33 0.00 0.00 175.26 173.77 2jwx s PRO 27 N -3.55 3.01 0.65 -4.83 0.04 -1.26 -5.01 135.00 124.06 2jwx s PRO 27 Ca 0.50 -1.28 -0.18 0.00 0.04 0.00 0.00 61.00 60.09 2jwx s PRO 27 Cb -0.10 -4.14 -0.01 0.00 0.04 0.00 0.00 34.50 30.28 2jwx s PRO 27 CO 0.28 -1.10 1.22 0.00 0.04 0.00 0.00 177.00 177.43 2jwx n ALA 28 N 5.44 0.86 -1.66 8.56 0.00 -1.26 -4.86 120.51 127.59 2jwx n ALA 28 Ca -0.11 -0.02 -0.48 0.00 0.00 0.00 0.00 53.44 52.82 2jwx n ALA 28 Cb 0.44 -2.28 -0.05 0.00 0.00 0.00 0.00 19.45 17.56 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 -1.82 1.90 0.00 0.00 -0.04 -1.26 -4.41 135.00 129.37 2jwx n PRO 29 Ca 0.15 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 2jwx n PRO 29 Cb 0.48 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 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 3.93 0.00 -1.51 0.55 0.00 -1.26 -5.04 120.51 117.18 2jwx n ALA 30 Ca 0.19 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.17 2jwx n ALA 30 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 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 0.00 0.77 -2.09 0.00 -0.04 -1.26 -4.98 135.00 127.39 2jwx n PRO 31 Ca 0.00 0.27 -0.32 0.00 -0.04 0.00 0.00 63.50 63.41 2jwx n PRO 31 Cb 0.00 -1.48 -0.00 0.00 -0.04 0.00 0.00 33.50 31.97 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 -1.05 2.91 0.00 0.55 0.00 -1.26 -4.92 121.76 118.00 2jwx s ALA 32 Ca 0.61 0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.74 2jwx s ALA 32 Cb -0.79 -3.16 -0.12 0.00 0.00 0.00 0.00 23.12 19.05 2jwx s ALA 32 CO 0.58 -0.63 2.21 -0.35 0.00 0.00 0.00 175.76 177.57 2jwx n PRO 33 N -2.11 1.14 -1.77 0.00 -0.04 -1.25 -4.73 135.00 126.24 2jwx n PRO 33 Ca 0.07 -0.45 -0.02 0.00 -0.04 0.00 0.00 63.50 63.06 2jwx n PRO 33 Cb 0.54 -1.61 0.01 0.00 -0.04 0.00 0.00 33.50 32.39 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 2.32 0.31 -3.16 0.54 -0.58 -1.26 -4.71 120.64 114.10 2jwx n GLU 34 Ca 0.19 -0.61 -0.12 0.00 -0.42 0.00 0.00 57.16 56.20 2jwx n GLU 34 Cb 0.53 0.76 0.01 0.00 -0.57 0.00 0.00 31.44 32.17 2jwx n GLU 34 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2jwx n GLU 35 N -0.15 -1.84 -0.93 3.49 1.02 -1.26 -4.80 120.64 116.18 2jwx n GLU 35 Ca -0.02 1.61 -0.33 0.00 -0.02 0.00 0.00 57.16 58.40 2jwx n GLU 35 Cb 0.16 -4.67 -0.03 0.00 -0.02 0.00 0.00 31.44 26.89 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 -1.12 -0.16 -3.60 -0.32 7.02 -1.26 -4.98 117.44 113.02 2jwx n TRP 36 Ca -0.02 0.64 -0.36 0.00 -1.02 0.00 0.00 57.50 56.74 2jwx n TRP 36 Cb 0.54 -1.30 -0.08 0.00 -2.42 0.00 0.00 31.31 28.05 2jwx n TRP 36 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2jwx s LEU 37 N 1.52 4.16 -0.61 -0.99 2.96 -0.66 -4.91 118.68 120.15 2jwx s LEU 37 Ca 0.46 0.27 -0.28 0.00 -0.22 0.00 0.00 54.13 54.36 2jwx s LEU 37 Cb -0.65 -2.22 0.03 0.00 0.50 0.00 0.00 46.19 43.85 2jwx s LEU 37 CO 0.37 0.07 1.19 -0.62 -1.32 0.00 0.00 176.35 176.03 2jwx s ASP 38 N 0.83 6.38 0.09 3.68 -1.08 -1.26 -1.16 116.67 124.14 2jwx s ASP 38 Ca 0.11 -0.05 -0.28 0.00 -0.52 0.00 0.00 52.55 51.81 2jwx s ASP 38 Cb -0.13 -2.55 -0.14 0.00 -1.46 0.00 0.00 42.92 38.64 2jwx s ASP 38 CO 0.04 -1.54 1.67 0.40 0.52 0.00 0.00 175.17 176.25 2jwx h ILE 39 N 6.12 0.58 -0.20 4.11 2.04 -1.07 -2.96 117.51 126.12 2jwx h ILE 39 Ca -0.26 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2jwx h ILE 39 Cb 1.06 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2jwx h ILE 39 CO 1.20 0.00 0.00 -0.11 0.00 0.00 0.00 178.15 179.24 2jwx n LEU 40 N -5.33 3.19 -1.42 1.44 7.94 -1.25 -4.88 117.00 116.68 2jwx n LEU 40 Ca -0.09 -1.24 -0.16 0.00 -1.11 0.00 0.00 56.01 53.40 2jwx n LEU 40 Cb 0.24 -0.12 -0.07 0.00 0.53 0.00 0.00 43.42 44.00 2jwx n LEU 40 CO 0.32 0.61 -0.15 0.61 -1.11 0.00 0.00 177.39 177.67 2jwx n GLY 41 N 1.39 1.53 0.07 -3.96 0.00 -1.12 -4.80 105.19 98.29 2jwx n GLY 41 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 2jwx n GLY 41 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jwx n ASN 42 N -0.87 0.68 0.00 1.61 2.04 -1.26 -4.94 115.26 112.52 2jwx n ASN 42 Ca -0.16 0.06 0.00 0.00 -0.44 0.00 0.00 54.58 54.04 2jwx n ASN 42 Cb 0.54 0.53 0.00 0.00 -2.53 0.00 0.00 39.78 38.32 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 1.30 2.96 0.11 4.83 0.00 -1.26 -4.74 105.19 108.39 2jwx n GLY 43 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 -7.46 0.99 4.07 -1.92 -3.43 115.31 107.56 2jwx h LEU 44 Ca 0.00 -0.07 -0.62 0.00 0.08 0.00 0.00 57.88 57.27 2jwx h LEU 44 Cb 0.00 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 41.34 2jwx h LEU 44 CO 0.00 0.04 -0.75 -0.22 -1.08 0.00 0.00 178.44 176.43 2jwx s LEU 45 N -5.07 3.31 -0.00 1.67 1.98 -1.23 -1.74 118.68 117.60 2jwx s LEU 45 Ca 0.03 -1.76 0.01 0.00 -2.89 0.00 0.00 54.13 49.52 2jwx s LEU 45 Cb 0.10 -1.23 -0.00 0.00 0.66 0.00 0.00 46.19 45.72 2jwx s LEU 45 CO 0.75 -0.37 -0.03 -0.13 -1.89 0.00 0.00 176.35 174.67 2jwx s ARG 46 N 1.29 0.27 -0.07 1.98 0.52 0.70 -0.37 118.95 123.27 2jwx s ARG 46 Ca 0.07 -0.15 0.02 0.00 -0.52 0.00 0.00 55.73 55.16 2jwx s ARG 46 Cb -0.18 -0.24 -0.03 0.00 0.52 0.00 0.00 34.95 35.02 2jwx s ARG 46 CO -0.15 0.07 -0.13 0.21 0.02 0.00 0.00 175.30 175.32 2jwx s LYS 47 N -0.16 2.69 -0.15 3.54 2.20 -0.31 0.28 119.74 127.83 2jwx s LYS 47 Ca 0.00 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 54.95 2jwx s LYS 47 Cb -0.02 -2.46 -0.00 0.00 -1.51 0.00 0.00 37.83 33.84 2jwx s LYS 47 CO -0.00 0.57 -0.15 0.21 -0.36 0.00 0.00 175.35 175.61 2jwx s LYS 48 N -0.57 3.25 -1.05 4.03 2.20 0.37 -1.66 119.74 126.31 2jwx s LYS 48 Ca 0.08 -0.74 -0.22 0.00 -0.36 0.00 0.00 55.97 54.73 2jwx s LYS 48 Cb -0.11 -2.61 0.04 0.00 -1.51 0.00 0.00 37.83 33.64 2jwx s LYS 48 CO 0.01 0.08 1.55 0.95 -0.36 0.00 0.00 175.35 177.58 2jwx s THR 49 N 0.67 3.90 0.11 3.43 -4.23 -1.26 -1.93 115.64 116.33 2jwx s THR 49 Ca -0.08 -0.89 -0.16 0.00 -1.18 0.00 0.00 61.69 59.38 2jwx s THR 49 Cb -0.16 -4.97 -0.04 0.00 1.34 0.00 0.00 72.50 68.67 2jwx s THR 49 CO 0.02 -1.84 1.55 -0.07 -0.54 0.00 0.00 174.62 173.74 2jwx h LEU 50 N 13.37 0.60 -7.63 4.79 3.38 -1.66 -3.34 115.31 124.81 2jwx h LEU 50 Ca 0.23 -0.31 -0.45 0.00 0.09 0.00 0.00 57.88 57.43 2jwx h LEU 50 Cb 0.99 -0.16 -0.36 0.00 0.09 0.00 0.00 40.66 41.21 2jwx h LEU 50 CO 1.41 0.77 -0.78 -0.69 0.09 0.00 0.00 178.44 179.24 2jwx s VAL 51 N -4.98 0.60 -0.08 1.22 1.01 -0.19 -4.79 120.40 113.20 2jwx s VAL 51 Ca -0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 2jwx s VAL 51 Cb 0.09 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 2jwx s VAL 51 CO 0.78 0.28 0.08 -2.16 0.00 0.00 0.00 175.10 174.07 2jwx s PRO 52 N 1.53 3.19 0.99 2.72 0.04 -1.26 -0.34 135.00 141.87 2jwx s PRO 52 Ca -0.01 -0.32 -0.11 0.00 0.04 0.00 0.00 61.00 60.60 2jwx s PRO 52 Cb -0.13 -2.97 0.19 0.00 0.04 0.00 0.00 34.50 31.63 2jwx s PRO 52 CO -0.04 0.72 1.11 0.20 0.04 0.00 0.00 177.00 179.03 2jwx s GLY 53 N -1.17 1.64 1.17 0.56 0.00 -1.26 -4.82 107.32 103.44 2jwx s GLY 53 Ca 0.17 0.35 -0.16 0.00 0.00 0.00 0.00 44.72 45.08 2jwx s GLY 53 CO 0.06 0.86 0.51 -1.05 0.00 0.00 0.00 173.10 173.49 2jwx n PRO 54 N -4.44 -2.20 -0.79 2.90 -0.02 -1.26 -4.45 135.00 124.74 2jwx n PRO 54 Ca 0.09 -0.62 -0.29 0.00 -2.02 0.00 0.00 63.50 60.66 2jwx n PRO 54 Cb 0.53 -1.93 -0.04 0.00 -0.02 0.00 0.00 33.50 32.04 2jwx n PRO 54 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jwx n PRO 55 N -3.62 1.47 0.00 0.52 -0.04 -1.26 -2.87 135.00 129.20 2jwx n PRO 55 Ca 0.01 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.01 2jwx n PRO 55 Cb 0.58 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 2jwx n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jwx n GLY 56 N 4.17 2.60 5.92 0.55 0.00 -1.26 -4.67 105.19 112.50 2jwx n GLY 56 Ca 0.41 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.64 1.61 7.64 -1.14 -3.10 113.62 114.99 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 -3.38 -0.90 -0.78 6.43 0.01 -1.26 0.58 113.70 114.39 2jwx s SER 58 Ca 0.00 1.46 -0.01 0.00 1.31 0.00 0.00 55.95 58.70 2jwx s SER 58 Cb 0.00 1.38 0.19 0.00 0.21 0.00 0.00 66.02 67.80 2jwx s SER 58 CO 0.00 -0.23 0.63 -0.13 0.41 0.00 0.00 173.24 173.92 2jwx s ARG 59 N 1.56 2.93 0.53 12.44 1.81 -1.20 -1.29 118.95 135.74 2jwx s ARG 59 Ca -0.10 -3.02 -0.22 0.00 -1.72 0.00 0.00 55.73 50.67 2jwx s ARG 59 Cb -0.05 -3.82 -0.05 0.00 -0.45 0.00 0.00 34.95 30.58 2jwx s ARG 59 CO -0.19 -1.23 1.36 -1.25 -0.68 0.00 0.00 175.30 173.31 2jwx s PRO 60 N -0.90 3.22 0.16 3.54 0.04 -1.26 -3.52 135.00 136.29 2jwx s PRO 60 Ca 0.23 2.24 -0.11 0.00 0.04 0.00 0.00 61.00 63.40 2jwx s PRO 60 Cb -0.12 -2.31 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 2jwx s PRO 60 CO -0.09 -1.13 0.51 0.14 0.04 0.00 0.00 177.00 176.47 2jwx s VAL 61 N -1.30 4.96 -0.81 -0.36 -7.23 -1.26 -4.44 120.40 109.95 2jwx s VAL 61 Ca 0.70 0.56 -0.26 0.00 -1.81 0.00 0.00 61.98 61.16 2jwx s VAL 61 Cb -0.40 -3.66 -0.18 0.00 0.56 0.00 0.00 36.38 32.70 2jwx s VAL 61 CO 0.48 0.12 2.52 0.29 -0.31 0.00 0.00 175.10 178.20 2jwx n LYS 62 N 0.41 0.39 0.00 4.82 4.01 -1.26 -0.65 118.16 125.88 2jwx n LYS 62 Ca -0.03 -0.08 0.00 0.00 -0.51 0.00 0.00 58.31 57.69 2jwx n LYS 62 Cb 0.52 -2.28 0.00 0.00 -0.51 0.00 0.00 35.03 32.76 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 6.25 0.54 3.75 0.72 0.00 0.11 -4.72 105.19 111.83 2jwx n GLY 63 Ca 0.55 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.17 2jwx n GLY 63 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jwx s GLN 64 N 0.00 4.53 -0.19 1.61 -1.52 0.18 -1.54 119.66 122.74 2jwx s GLN 64 Ca 0.00 1.13 -0.29 0.00 -1.95 0.00 0.00 55.36 54.25 2jwx s GLN 64 Cb 0.00 -3.35 -0.01 0.00 -0.22 0.00 0.00 33.01 29.43 2jwx s GLN 64 CO 0.00 0.32 1.25 0.14 -0.25 0.00 0.00 175.29 176.75 2jwx s VAL 65 N -0.23 4.29 -0.15 1.09 -7.23 0.88 -2.21 120.40 116.84 2jwx s VAL 65 Ca 0.39 1.55 -0.01 0.00 -1.81 0.00 0.00 61.98 62.10 2jwx s VAL 65 Cb -0.21 -4.04 -0.01 0.00 0.56 0.00 0.00 36.38 32.67 2jwx s VAL 65 CO 0.24 -0.19 -0.11 0.68 -0.31 0.00 0.00 175.10 175.42 2jwx s VAL 66 N 3.60 3.13 -0.43 1.32 -7.23 -1.06 -1.88 120.40 117.84 2jwx s VAL 66 Ca 0.54 -0.62 -0.22 0.00 -1.81 0.00 0.00 61.98 59.87 2jwx s VAL 66 Cb -0.20 -2.34 0.02 0.00 0.56 0.00 0.00 36.38 34.42 2jwx s VAL 66 CO 0.15 0.51 0.73 -0.89 -0.31 0.00 0.00 175.10 175.29 2jwx s THR 67 N 0.59 4.72 -0.17 5.32 2.01 -0.60 -2.44 115.64 125.07 2jwx s THR 67 Ca -0.07 0.38 -0.01 0.00 0.31 0.00 0.00 61.69 62.31 2jwx s THR 67 Cb -0.15 -4.26 -0.00 0.00 0.01 0.00 0.00 72.50 68.09 2jwx s THR 67 CO 0.03 -0.64 -0.13 0.68 -0.69 0.00 0.00 174.62 173.87 2jwx s VAL 68 N 3.11 2.80 -0.49 3.82 -7.23 0.84 -0.97 120.40 122.27 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 0.21 0.50 1.00 -2.28 -0.31 0.00 0.00 175.10 174.22 2jwx s HIS 69 N 0.97 2.85 -0.06 2.82 2.46 0.11 0.33 115.29 124.75 2jwx s HIS 69 Ca -0.02 0.40 0.05 0.00 0.47 0.00 0.00 55.06 55.96 2jwx s HIS 69 Cb -0.15 -4.15 -0.02 0.00 -0.13 0.00 0.00 32.58 28.13 2jwx s HIS 69 CO -0.02 -1.23 -0.20 -0.48 -2.47 0.00 0.00 174.74 170.35 2jwx s LEU 70 N 4.07 2.38 -0.23 8.88 0.05 -0.84 -0.01 118.68 132.98 2jwx s LEU 70 Ca 0.39 -0.37 0.00 0.00 0.05 0.00 0.00 54.13 54.20 2jwx s LEU 70 Cb -0.09 -1.46 0.06 0.00 -2.05 0.00 0.00 46.19 42.64 2jwx s LEU 70 CO 0.27 0.28 -0.04 -1.10 -0.55 0.00 0.00 176.35 175.21 2jwx s GLN 71 N -0.36 1.48 -0.13 1.48 1.11 -0.78 0.34 119.66 122.79 2jwx s GLN 71 Ca 0.03 -0.91 -0.18 0.00 0.01 0.00 0.00 55.36 54.31 2jwx s GLN 71 Cb -0.12 -2.52 -0.04 0.00 -1.01 0.00 0.00 33.01 29.31 2jwx s GLN 71 CO 0.02 -0.61 0.46 0.99 0.01 0.00 0.00 175.29 176.17 2jwx s THR 72 N 1.46 5.19 -0.07 -0.19 2.01 -0.49 -2.57 115.64 120.99 2jwx s THR 72 Ca -0.05 0.92 -0.00 0.00 0.31 0.00 0.00 61.69 62.87 2jwx s THR 72 Cb -0.19 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 2jwx s THR 72 CO -0.06 0.32 -0.03 -0.44 -0.69 0.00 0.00 174.62 173.71 2jwx s SER 73 N 0.65 4.93 1.07 3.53 0.01 0.69 0.22 113.70 124.80 2jwx s SER 73 Ca 0.25 0.04 -0.12 0.00 1.31 0.00 0.00 55.95 57.43 2jwx s SER 73 Cb -0.15 -1.30 0.23 0.00 0.21 0.00 0.00 66.02 65.01 2jwx s SER 73 CO 0.10 0.36 1.06 -0.22 0.41 0.00 0.00 173.24 174.95 2jwx s LEU 74 N -0.93 1.48 0.60 2.44 1.98 0.20 -0.10 118.68 124.35 2jwx s LEU 74 Ca 0.14 1.65 0.33 0.00 -2.89 0.00 0.00 54.13 53.35 2jwx s LEU 74 Cb -0.11 -3.73 1.91 0.00 0.66 0.00 0.00 46.19 44.92 2jwx s LEU 74 CO 0.03 -3.73 2.26 1.05 -1.89 0.00 0.00 176.35 174.06 2jwx h GLU 75 N -2.30 0.00 0.00 1.98 4.11 -1.58 0.45 114.58 117.24 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 0.49 0.02 0.00 0.09 0.07 0.00 0.00 179.01 179.68 2jwx n ASN 76 N -3.62 0.00 0.00 3.06 5.03 -1.26 -4.88 115.26 113.59 2jwx n ASN 76 Ca -0.03 -0.85 0.00 0.00 0.87 0.00 0.00 54.58 54.58 2jwx n ASN 76 Cb 0.11 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 38.83 2jwx n ASN 76 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jwx n GLY 77 N 0.92 3.33 3.60 7.41 0.00 0.16 -5.00 105.19 115.60 2jwx n GLY 77 Ca 0.22 0.00 -0.43 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 -2.43 3.30 -0.26 2.61 2.01 -1.25 -4.36 115.64 115.26 2jwx s THR 78 Ca 0.00 0.31 -0.36 0.00 0.31 0.00 0.00 61.69 61.95 2jwx s THR 78 Cb 0.00 -3.41 -0.12 0.00 0.01 0.00 0.00 72.50 68.98 2jwx s THR 78 CO 0.00 -0.26 2.02 0.54 -0.69 0.00 0.00 174.62 176.23 2jwx n ARG 79 N 8.56 1.45 -0.01 4.92 5.12 -1.26 0.59 116.66 136.03 2jwx n ARG 79 Ca 0.25 0.47 0.10 0.00 -1.93 0.00 0.00 57.85 56.74 2jwx n ARG 79 Cb 0.46 -2.49 -0.15 0.00 -1.16 0.00 0.00 32.46 29.13 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 6.15 0.00 -3.65 1.55 0.24 0.13 -4.91 118.33 117.85 2jwx n VAL 80 Ca 0.32 -0.42 -0.12 0.00 -2.04 0.00 0.00 64.34 62.09 2jwx n VAL 80 Cb 0.24 0.12 -0.06 0.00 -1.47 0.00 0.00 33.84 32.67 2jwx n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jwx s GLN 81 N -3.30 0.98 -0.15 7.34 1.03 -1.15 -4.71 119.66 119.69 2jwx s GLN 81 Ca -0.06 -0.48 -0.04 0.00 0.04 0.00 0.00 55.36 54.81 2jwx s GLN 81 Cb 0.12 0.44 0.07 0.00 0.03 0.00 0.00 33.01 33.67 2jwx s GLN 81 CO 0.80 -0.36 0.22 -2.00 -2.54 0.00 0.00 175.29 171.41 2jwx s GLU 82 N -2.96 0.14 -0.41 9.60 2.12 -1.26 -1.39 118.70 124.53 2jwx s GLU 82 Ca -0.02 0.44 -0.01 0.00 0.36 0.00 0.00 54.97 55.74 2jwx s GLU 82 Cb 0.00 -0.65 0.11 0.00 0.26 0.00 0.00 34.13 33.85 2jwx s GLU 82 CO -0.06 -0.47 0.19 -1.21 -0.54 0.00 0.00 175.26 173.17 2jwx s GLU 83 N 2.34 1.91 -1.07 4.30 2.02 0.15 -4.98 118.70 123.38 2jwx s GLU 83 Ca 0.04 -1.93 -0.23 0.00 0.02 0.00 0.00 54.97 52.88 2jwx s GLU 83 Cb -0.14 -3.49 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 2jwx s GLU 83 CO -0.10 -1.05 1.83 -2.14 0.02 0.00 0.00 175.26 173.83 2jwx s PRO 84 N 0.92 2.91 0.00 0.39 0.02 -1.26 -1.98 135.00 135.99 2jwx s PRO 84 Ca 0.10 -0.96 0.00 0.00 0.02 0.00 0.00 61.00 60.16 2jwx s PRO 84 Cb -0.22 -5.24 0.00 0.00 0.02 0.00 0.00 34.50 29.06 2jwx s PRO 84 CO -0.05 -3.23 0.00 0.39 -0.33 0.00 0.00 177.00 173.78 2jwx n GLU 85 N 8.61 0.00 -3.49 5.54 1.02 -1.25 -4.94 120.64 126.13 2jwx n GLU 85 Ca 0.42 0.18 -0.42 0.00 -0.02 0.00 0.00 57.16 57.31 2jwx n GLU 85 Cb 0.47 -0.45 -0.09 0.00 -0.02 0.00 0.00 31.44 31.35 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 -0.19 5.23 -0.15 -4.62 2.96 0.15 -4.72 118.68 117.34 2jwx s LEU 86 Ca 0.00 -1.21 -0.06 0.00 -0.22 0.00 0.00 54.13 52.64 2jwx s LEU 86 Cb 0.00 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 2jwx s LEU 86 CO 0.00 -0.53 0.08 0.54 -1.32 0.00 0.00 176.35 175.12 2jwx s VAL 87 N 1.59 4.93 0.20 1.68 0.11 -1.23 -0.11 120.40 127.57 2jwx s VAL 87 Ca 0.04 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.97 2jwx s VAL 87 Cb -0.22 -3.18 -0.00 0.00 -1.53 0.00 0.00 36.38 31.45 2jwx s VAL 87 CO 0.06 0.53 0.40 0.72 -3.33 0.00 0.00 175.10 173.48 2jwx s PHE 88 N -0.25 0.33 -0.48 1.54 -0.71 -1.02 -4.93 117.98 112.45 2jwx s PHE 88 Ca 0.09 -0.68 -0.28 0.00 -1.04 0.00 0.00 56.93 55.02 2jwx s PHE 88 Cb -0.12 0.10 0.01 0.00 -1.21 0.00 0.00 43.02 41.80 2jwx s PHE 88 CO 0.01 -0.86 1.46 0.99 -1.34 0.00 0.00 175.22 175.48 2jwx s THR 89 N -3.98 3.80 0.34 -4.49 2.01 -1.26 -2.56 115.64 109.50 2jwx s THR 89 Ca 0.19 0.76 -0.29 0.00 0.31 0.00 0.00 61.69 62.66 2jwx s THR 89 Cb 0.01 -4.25 -0.12 0.00 0.01 0.00 0.00 72.50 68.16 2jwx s THR 89 CO 0.04 -0.91 1.48 -0.11 -0.69 0.00 0.00 174.62 174.43 2jwx n LEU 90 N 9.41 4.31 0.00 4.42 7.94 -0.94 -2.15 117.00 140.00 2jwx n LEU 90 Ca 0.15 1.19 0.00 0.00 -1.11 0.00 0.00 56.01 56.25 2jwx n LEU 90 Cb 0.49 -1.57 0.00 0.00 0.53 0.00 0.00 43.42 42.86 2jwx n LEU 90 CO 0.71 -0.01 0.00 0.61 -1.11 0.00 0.00 177.39 177.59 2jwx n GLY 91 N 1.15 0.18 1.01 -3.96 0.00 -1.20 0.07 105.19 102.44 2jwx n GLY 91 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.50 3.02 -2.79 1.61 2.03 -0.91 -4.92 116.55 114.09 2jwx n ASP 92 Ca 0.00 -1.93 -0.21 0.00 0.52 0.00 0.00 54.79 53.17 2jwx n ASP 92 Cb 0.25 -0.22 0.01 0.00 -0.72 0.00 0.00 41.12 40.44 2jwx n ASP 92 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jwx n ASP 94 N -2.24 0.46 0.00 0.00 -0.08 -1.25 -4.70 116.55 108.73 2jwx n ASP 94 Ca -0.15 0.64 0.00 0.00 -1.51 0.00 0.00 54.79 53.77 2jwx n ASP 94 Cb 0.63 -0.73 0.00 0.00 2.34 0.00 0.00 41.12 43.37 2jwx n ASP 94 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2jwx n VAL 95 N -2.03 0.00 -2.64 5.18 0.24 -1.26 -4.92 118.33 112.89 2jwx n VAL 95 Ca 0.01 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.92 2jwx n VAL 95 Cb 0.16 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.47 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 1.15 3.87 0.55 1.34 -0.00 -1.26 -4.91 121.20 121.94 2jwx s ILE 96 Ca 0.00 1.79 0.26 0.00 -0.00 0.00 0.00 60.65 62.69 2jwx s ILE 96 Cb 0.00 -4.10 0.37 0.00 -0.00 0.00 0.00 42.46 38.73 2jwx s ILE 96 CO 0.00 0.36 2.04 -0.61 -0.00 0.00 0.00 174.94 176.72 2jwx h GLN 97 N 3.75 0.00 -0.28 0.37 5.75 -1.16 1.00 115.11 124.53 2jwx h GLN 97 Ca -0.46 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.10 2jwx h GLN 97 Cb 1.20 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.69 2jwx h GLN 97 CO 0.67 0.00 -0.15 0.00 -2.65 0.00 0.00 178.83 176.69 2jwx h ALA 98 N 1.75 0.06 0.01 3.38 0.00 -1.26 -2.40 119.26 120.80 2jwx h ALA 98 Ca 0.16 0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.96 2jwx h ALA 98 Cb 0.74 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2jwx h ALA 98 CO -0.00 -0.55 -1.02 1.25 0.00 0.00 0.00 179.25 178.93 2jwx h LEU 99 N -0.12 0.05 -0.76 0.00 5.85 -1.12 -2.24 115.31 116.96 2jwx h LEU 99 Ca 0.15 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 2jwx h LEU 99 Cb 0.35 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2jwx h LEU 99 CO -0.36 1.03 -0.39 -0.78 -0.34 0.00 0.00 178.44 177.60 2jwx h ASP 100 N 0.01 0.50 0.40 1.25 3.58 -1.06 -2.43 116.42 118.68 2jwx h ASP 100 Ca -0.02 -0.21 -0.31 0.00 0.42 0.00 0.00 57.03 56.90 2jwx h ASP 100 Cb 1.77 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 42.64 2jwx h ASP 100 CO 0.14 0.84 -1.78 0.18 -2.88 0.00 0.00 179.24 175.74 2jwx n LEU 101 N -4.04 1.30 -0.15 2.28 4.77 -0.92 -3.26 117.00 116.98 2jwx n LEU 101 Ca -0.01 0.37 -0.11 0.00 -0.03 0.00 0.00 56.01 56.23 2jwx n LEU 101 Cb 0.50 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.44 2jwx n LEU 101 CO 0.44 0.50 0.73 0.77 -1.33 0.00 0.00 177.39 178.50 2jwx h SER 102 N 0.02 0.87 0.03 -1.43 4.64 -1.03 -2.98 113.55 113.67 2jwx h SER 102 Ca -0.32 -0.36 0.02 0.00 -0.47 0.00 0.00 61.79 60.67 2jwx h SER 102 Cb 2.02 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 63.84 2jwx h SER 102 CO 0.08 1.02 -0.18 0.58 -0.87 0.00 0.00 176.83 177.46 2jwx h VAL 103 N 0.70 0.57 0.00 0.95 2.07 -1.68 0.10 116.25 118.96 2jwx h VAL 103 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2jwx h VAL 103 Cb 0.63 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2jwx h VAL 103 CO 0.04 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.82 2jwx n PRO 104 N -5.31 0.18 0.00 1.57 -0.04 -1.22 0.57 135.00 130.75 2jwx n PRO 104 Ca -0.05 0.52 0.13 0.00 -0.04 0.00 0.00 63.50 64.05 2jwx n PRO 104 Cb 0.23 -1.93 0.35 0.00 -0.04 0.00 0.00 33.50 32.11 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 -2.29 0.67 -4.86 1.53 4.77 -0.33 -4.71 117.00 111.77 2jwx n LEU 105 Ca 0.01 -0.07 -0.33 0.00 -0.03 0.00 0.00 56.01 55.59 2jwx n LEU 105 Cb 0.16 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 2jwx n LEU 105 CO 0.16 0.14 -0.19 -0.32 -1.33 0.00 0.00 177.39 175.85 2jwx s MET 106 N -2.76 3.31 0.41 3.23 1.75 0.19 -5.07 119.30 120.36 2jwx s MET 106 Ca 0.18 -0.39 -0.13 0.00 -1.25 0.00 0.00 55.69 54.09 2jwx s MET 106 Cb 0.18 -3.01 -0.07 0.00 2.84 0.00 0.00 34.83 34.77 2jwx s MET 106 CO 0.60 0.66 0.81 -0.51 -0.65 0.00 0.00 175.02 175.93 2jwx s ASP 107 N -1.95 6.62 -0.02 1.11 1.01 -1.26 -4.64 116.67 117.54 2jwx s ASP 107 Ca 0.27 1.28 -0.30 0.00 0.71 0.00 0.00 52.55 54.50 2jwx s ASP 107 Cb -0.12 -2.38 -0.06 0.00 1.01 0.00 0.00 42.92 41.37 2jwx s ASP 107 CO 0.18 -0.39 1.51 -0.69 0.21 0.00 0.00 175.17 175.99 2jwx s VAL 108 N -2.33 3.58 0.00 -1.27 1.01 -0.41 -1.71 120.40 119.28 2jwx s VAL 108 Ca 0.54 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.42 2jwx s VAL 108 Cb -0.10 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2jwx s VAL 108 CO 0.27 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.95 2jwx n GLY 109 N 3.85 0.63 3.87 4.51 0.00 -0.49 -4.37 105.19 113.19 2jwx n GLY 109 Ca 0.15 0.00 -0.30 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 -0.63 3.71 -0.17 1.61 2.12 -0.69 -4.47 118.70 120.17 2jwx s GLU 110 Ca 0.00 0.59 -0.02 0.00 0.36 0.00 0.00 54.97 55.89 2jwx s GLU 110 Cb 0.00 -2.24 0.05 0.00 0.26 0.00 0.00 34.13 32.20 2jwx s GLU 110 CO 0.00 -0.28 0.02 0.99 -0.54 0.00 0.00 175.26 175.45 2jwx s THR 111 N -2.75 0.56 -0.02 -1.70 2.01 0.54 -2.50 115.64 111.77 2jwx s THR 111 Ca 0.53 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 62.08 2jwx s THR 111 Cb -0.10 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.43 2jwx s THR 111 CO 0.41 -0.12 -0.07 0.00 -0.69 0.00 0.00 174.62 174.16 2jwx s ALA 112 N 1.85 0.68 -0.26 7.40 0.00 -0.78 -1.02 121.76 129.64 2jwx s ALA 112 Ca -0.00 -0.21 -0.16 0.00 0.00 0.00 0.00 51.96 51.59 2jwx s ALA 112 Cb -0.16 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 2jwx s ALA 112 CO -0.07 0.09 0.40 1.41 0.00 0.00 0.00 175.76 177.59 2jwx s MET 113 N 0.31 4.05 -0.19 0.00 -2.45 -0.81 -0.13 119.30 120.08 2jwx s MET 113 Ca -0.04 0.12 -0.02 0.00 -1.25 0.00 0.00 55.69 54.50 2jwx s MET 113 Cb -0.09 -3.64 -0.00 0.00 1.25 0.00 0.00 34.83 32.36 2jwx s MET 113 CO 0.00 -0.25 -0.10 0.08 1.05 0.00 0.00 175.02 175.80 2jwx s VAL 114 N 2.00 2.98 -0.37 10.11 1.01 0.10 -0.47 120.40 135.75 2jwx s VAL 114 Ca 0.17 -0.64 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 2jwx s VAL 114 Cb -0.16 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.92 2jwx s VAL 114 CO 0.09 0.47 0.66 0.42 0.00 0.00 0.00 175.10 176.74 2jwx s THR 115 N 1.20 4.86 -0.05 3.92 -4.23 0.14 -0.16 115.64 121.32 2jwx s THR 115 Ca 0.02 0.56 0.02 0.00 -1.18 0.00 0.00 61.69 61.11 2jwx s THR 115 Cb -0.14 -4.11 0.02 0.00 1.34 0.00 0.00 72.50 69.60 2jwx s THR 115 CO -0.04 -0.37 -0.08 0.00 -0.54 0.00 0.00 174.62 173.59 2jwx s ALA 116 N 2.79 0.89 0.72 3.99 0.00 -0.51 -0.22 121.76 129.43 2jwx s ALA 116 Ca 0.25 -0.20 -0.16 0.00 0.00 0.00 0.00 51.96 51.86 2jwx s ALA 116 Cb -0.14 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 2jwx s ALA 116 CO 0.16 0.05 0.82 -3.47 0.00 0.00 0.00 175.76 173.32 2jwx n ASP 117 N 3.90 -0.08 0.25 0.00 -0.08 -0.71 0.29 116.55 120.12 2jwx n ASP 117 Ca -0.24 0.64 0.08 0.00 -1.51 0.00 0.00 54.79 53.76 2jwx n ASP 117 Cb 0.51 -1.34 0.61 0.00 2.34 0.00 0.00 41.12 43.24 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 -0.30 0.00 -0.00 1.67 0.87 -1.49 0.57 113.55 114.88 2jwx h SER 118 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2jwx h SER 118 Cb 1.34 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2jwx h SER 118 CO 0.45 0.07 0.01 0.07 -0.53 0.00 0.00 176.83 176.91 2jwx h LYS 119 N 0.00 0.00 -0.00 2.24 2.10 -1.86 1.72 116.57 120.77 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 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2jwx h LYS 119 CO 0.01 0.00 -0.96 0.66 -2.00 0.00 0.00 179.45 177.16 2jwx n TYR 120 N -3.22 0.00 0.00 0.07 4.02 0.17 -4.72 117.16 113.48 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 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.38 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 -0.94 0.00 0.32 0.00 4.01 0.34 -4.51 117.16 116.38 2jwx n TYR 122 Ca 0.00 -0.23 -0.13 0.00 -0.16 0.00 0.00 57.90 57.38 2jwx n TYR 122 Cb 0.00 -0.08 -0.06 0.00 -0.31 0.00 0.00 39.34 38.89 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 0.05 -0.94 -1.85 2.72 0.00 0.18 0.21 103.07 103.44 2jwx h GLY 123 Ca -0.01 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.69 2jwx h GLY 123 CO 0.00 -0.33 0.00 -1.55 0.00 0.00 0.00 176.54 174.66 2jwx n PRO 124 N -4.36 2.19 -0.00 4.80 -0.04 -1.26 -4.49 135.00 131.83 2jwx n PRO 124 Ca -0.10 -1.79 -0.00 0.00 -0.04 0.00 0.00 63.50 61.56 2jwx n PRO 124 Cb 0.34 -1.40 -0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.94 1.24 -0.70 0.54 6.02 -1.14 -5.14 117.38 119.14 2jwx n GLN 125 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2jwx n GLN 125 Cb 0.43 -1.01 0.00 0.00 1.02 0.00 0.00 30.24 30.68 2jwx n GLN 125 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jwx n GLY 126 N 3.33 -3.62 3.91 1.08 0.00 0.73 -4.95 105.19 105.66 2jwx n GLY 126 Ca -0.01 -1.00 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 2jwx n GLY 126 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jwx s SER 127 N -3.01 6.43 0.18 1.61 0.15 -1.17 -4.77 113.70 113.11 2jwx s SER 127 Ca 0.00 0.62 -0.19 0.00 0.70 0.00 0.00 55.95 57.08 2jwx s SER 127 Cb 0.00 -2.10 0.13 0.00 -1.71 0.00 0.00 66.02 62.34 2jwx s SER 127 CO 0.00 -0.15 1.61 0.08 1.20 0.00 0.00 173.24 175.98 2jwx h ARG 128 N 1.77 -0.14 0.00 5.44 0.11 -1.98 -3.32 114.38 116.26 2jwx h ARG 128 Ca -0.48 0.01 -0.09 0.00 0.10 0.00 0.00 59.98 59.52 2jwx h ARG 128 Cb 1.19 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.29 2jwx h ARG 128 CO 0.67 -0.09 -1.06 0.45 0.10 0.00 0.00 179.97 180.04 2jwx n SER 129 N -5.42 1.88 -4.39 0.08 2.88 -1.26 -4.88 113.62 102.51 2jwx n SER 129 Ca 0.04 0.46 -0.39 0.00 -1.33 0.00 0.00 58.87 57.64 2jwx n SER 129 Cb 0.33 -0.83 -0.12 0.00 -0.75 0.00 0.00 64.21 62.85 2jwx n SER 129 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2jwx s PRO 130 N -2.53 3.00 -0.30 -1.46 0.05 -1.25 -5.03 135.00 127.48 2jwx s PRO 130 Ca -0.25 -0.95 -0.28 0.00 0.05 0.00 0.00 61.00 59.58 2jwx s PRO 130 Cb 0.05 -3.62 -0.05 0.00 0.05 0.00 0.00 34.50 30.93 2jwx s PRO 130 CO 0.38 -0.58 2.15 -0.47 0.05 0.00 0.00 177.00 178.53 2jwx s TYR 131 N 1.56 1.30 -0.20 0.56 5.04 -1.25 -3.06 117.35 121.29 2jwx s TYR 131 Ca 0.03 0.74 -0.29 0.00 -2.44 0.00 0.00 57.07 55.11 2jwx s TYR 131 Cb -0.18 -3.92 -0.00 0.00 0.35 0.00 0.00 41.96 38.21 2jwx s TYR 131 CO 0.06 -3.52 1.18 0.42 -1.34 0.00 0.00 175.55 172.35 2jwx s ILE 132 N 8.72 4.41 -0.71 3.14 -1.09 -1.26 -4.83 121.20 129.58 2jwx s ILE 132 Ca 0.95 1.70 -0.38 0.00 -2.23 0.00 0.00 60.65 60.68 2jwx s ILE 132 Cb -0.27 -4.13 -0.20 0.00 -1.58 0.00 0.00 42.46 36.27 2jwx s ILE 132 CO 0.33 -0.19 2.38 -0.81 -1.23 0.00 0.00 174.94 175.42 2jwx n PRO 133 N 6.58 0.02 -1.54 2.79 -0.04 -1.26 -4.40 135.00 137.14 2jwx n PRO 133 Ca 0.13 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.15 2jwx n PRO 133 Cb 0.45 -1.52 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 2jwx n PRO 133 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2jwx n PRO 134 N 7.95 1.02 -0.60 0.54 -0.04 -1.26 -0.84 135.00 141.77 2jwx n PRO 134 Ca 0.59 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 2jwx n PRO 134 Cb -0.00 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 2jwx n PRO 134 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2jwx n HIS 135 N 0.11 0.00 -1.77 0.54 8.25 -1.26 -4.94 115.22 116.15 2jwx n HIS 135 Ca 0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 2jwx n HIS 135 Cb 0.31 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 2jwx n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jwx s ALA 136 N -3.60 3.28 -0.32 -1.41 0.00 -0.02 -4.11 121.76 115.58 2jwx s ALA 136 Ca 0.00 0.97 -0.29 0.00 0.00 0.00 0.00 51.96 52.64 2jwx s ALA 136 Cb 0.00 -3.90 -0.00 0.00 0.00 0.00 0.00 23.12 19.22 2jwx s ALA 136 CO 0.00 -1.98 1.38 0.00 0.00 0.00 0.00 175.76 175.17 2jwx s ALA 137 N 5.65 3.25 0.74 0.00 0.00 -1.26 -1.74 121.76 128.40 2jwx s ALA 137 Ca 0.87 0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 2jwx s ALA 137 Cb -0.36 -3.84 0.03 0.00 0.00 0.00 0.00 23.12 18.96 2jwx s ALA 137 CO 0.36 -1.99 1.10 -0.51 0.00 0.00 0.00 175.76 174.72 2jwx s LEU 138 N 4.84 2.79 -0.30 0.00 2.01 0.15 -1.49 118.68 126.67 2jwx s LEU 138 Ca 0.60 1.21 -0.03 0.00 0.01 0.00 0.00 54.13 55.92 2jwx s LEU 138 Cb -0.17 -3.94 0.10 0.00 0.01 0.00 0.00 46.19 42.20 2jwx s LEU 138 CO 0.27 -1.58 0.13 0.00 1.01 0.00 0.00 176.35 176.18 2jwx s LEU 140 N 1.95 3.22 -0.47 0.00 2.34 0.77 -0.22 118.68 126.27 2jwx s LEU 140 Ca 0.10 -0.30 -0.24 0.00 0.06 0.00 0.00 54.13 53.74 2jwx s LEU 140 Cb -0.17 -1.84 0.03 0.00 -0.56 0.00 0.00 46.19 43.65 2jwx s LEU 140 CO -0.33 -0.03 0.87 -0.70 -1.06 0.00 0.00 176.35 175.10 2jwx s GLU 141 N 1.55 3.45 0.01 1.48 2.12 -1.06 0.00 118.70 126.26 2jwx s GLU 141 Ca 0.06 -0.00 -0.01 0.00 0.36 0.00 0.00 54.97 55.38 2jwx s GLU 141 Cb -0.15 -3.95 -0.04 0.00 0.26 0.00 0.00 34.13 30.26 2jwx s GLU 141 CO 0.01 -1.21 0.12 0.14 -0.54 0.00 0.00 175.26 173.77 2jwx s VAL 142 N 3.58 4.94 -0.26 3.70 -7.23 0.82 -1.87 120.40 124.08 2jwx s VAL 142 Ca 0.33 -0.37 0.01 0.00 -1.81 0.00 0.00 61.98 60.14 2jwx s VAL 142 Cb -0.11 -3.30 0.07 0.00 0.56 0.00 0.00 36.38 33.61 2jwx s VAL 142 CO 0.24 0.31 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.44 2jwx s THR 143 N -1.27 1.48 -0.25 5.32 2.01 0.99 -1.87 115.64 122.06 2jwx s THR 143 Ca 0.25 -1.40 -0.29 0.00 0.31 0.00 0.00 61.69 60.56 2jwx s THR 143 Cb -0.12 -1.88 0.01 0.00 0.01 0.00 0.00 72.50 70.51 2jwx s THR 143 CO 0.17 -0.29 1.12 -0.22 -0.69 0.00 0.00 174.62 174.71 2jwx s LEU 144 N 1.38 4.05 -0.21 4.42 0.20 -1.04 0.03 118.68 127.51 2jwx s LEU 144 Ca -0.00 1.34 0.02 0.00 0.69 0.00 0.00 54.13 56.18 2jwx s LEU 144 Cb -0.19 -3.54 -0.14 0.00 -0.43 0.00 0.00 46.19 41.89 2jwx s LEU 144 CO -0.10 -0.78 -0.18 0.29 -0.29 0.00 0.00 176.35 175.29 2jwx n LYS 145 N 6.62 0.56 -3.78 1.98 4.76 -0.14 -1.40 118.16 126.75 2jwx n LYS 145 Ca 0.13 0.12 -0.13 0.00 -2.87 0.00 0.00 58.31 55.56 2jwx n LYS 145 Cb 0.46 -1.43 -0.11 0.00 -1.84 0.00 0.00 35.03 32.11 2jwx n LYS 145 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2jwx s THR 146 N -2.43 0.00 -0.04 -0.18 2.01 -1.23 -4.79 115.64 108.98 2jwx s THR 146 Ca -0.28 -0.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.69 2jwx s THR 146 Cb 0.07 -0.37 0.03 0.00 0.01 0.00 0.00 72.50 72.25 2jwx s THR 146 CO 0.50 -0.01 0.05 0.00 -0.69 0.00 0.00 174.62 174.48 2jwx s ALA 147 N 0.11 0.23 -0.05 7.40 0.00 -1.25 -1.56 121.76 126.64 2jwx s ALA 147 Ca -0.00 0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.03 2jwx s ALA 147 Cb -0.02 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.54 2jwx s ALA 147 CO 0.00 -0.44 0.27 0.14 0.00 0.00 0.00 175.76 175.73 2jwx s VAL 148 N 2.02 0.04 -0.00 0.00 -7.23 -0.79 -4.74 120.40 109.70 2jwx s VAL 148 Ca 0.03 -0.31 -0.30 0.00 -1.81 0.00 0.00 61.98 59.60 2jwx s VAL 148 Cb -0.12 -0.49 -0.08 0.00 0.56 0.00 0.00 36.38 36.26 2jwx s VAL 148 CO -0.03 -0.17 1.87 -1.81 -0.31 0.00 0.00 175.10 174.65 2jwx s ASP 149 N -0.69 6.49 0.00 4.85 1.11 -1.26 -0.08 116.67 127.08 2jwx s ASP 149 Ca -0.08 2.50 0.00 0.00 0.18 0.00 0.00 52.55 55.15 2jwx s ASP 149 Cb -0.04 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.42 2jwx s ASP 149 CO 0.02 -1.04 0.55 -0.11 1.18 0.00 0.00 175.17 175.77 2jwx n LEU 150 N 7.55 0.00 0.00 1.23 7.94 -1.19 -4.87 117.00 127.66 2jwx n LEU 150 Ca 0.19 -0.78 0.00 0.00 -1.11 0.00 0.00 56.01 54.31 2jwx n LEU 150 Cb 0.42 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.37 2jwx n LEU 150 CO 0.66 0.57 0.47 1.21 -1.11 0.00 0.00 177.39 179.19 2jwx n GLU 151 N 0.00 0.00 -0.09 1.96 0.00 -0.59 -3.26 120.64 118.66 2jwx n GLU 151 Ca 0.00 0.47 -0.02 0.00 0.00 0.00 0.00 57.16 57.62 2jwx n GLU 151 Cb 0.56 -1.46 0.02 0.00 0.00 0.00 0.00 31.44 30.55 2jwx n GLU 151 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2jwx n HIS 152 N -1.92 0.22 0.53 4.31 8.25 -1.26 -3.70 115.22 121.65 2jwx n HIS 152 Ca 0.00 -0.54 0.13 0.00 -0.26 0.00 0.00 57.72 57.05 2jwx n HIS 152 Cb 0.00 -0.28 0.33 0.00 1.12 0.00 0.00 29.99 31.16 2jwx n HIS 152 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2jwx h HIS 153 N 0.10 0.00 -0.06 4.41 2.76 -1.95 -3.35 115.15 117.06 2jwx h HIS 153 Ca 0.04 0.00 -0.69 0.00 -2.20 0.00 0.00 60.37 57.52 2jwx h HIS 153 Cb 1.08 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.03 2jwx h HIS 153 CO 0.11 0.00 3.53 0.72 -1.30 0.00 0.00 177.93 181.00 2jwx n HIS 154 N -2.42 2.83 -2.51 5.26 8.25 -1.24 -4.96 115.22 120.43 2jwx n HIS 154 Ca 0.05 -3.04 -0.40 0.00 -0.26 0.00 0.00 57.72 54.06 2jwx n HIS 154 Cb 0.45 -2.49 -0.05 0.00 1.12 0.00 0.00 29.99 29.03 2jwx n HIS 154 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jwx s HIS 155 N 2.40 3.63 0.20 4.41 -3.43 -1.26 -5.03 115.29 116.21 2jwx s HIS 155 Ca 0.61 1.73 -0.23 0.00 -0.80 0.00 0.00 55.06 56.37 2jwx s HIS 155 Cb 0.16 -3.24 0.05 0.00 -1.43 0.00 0.00 32.58 28.12 2jwx s HIS 155 CO -0.07 -0.42 0.77 -3.38 -2.00 0.00 0.00 174.74 169.64 2jwx s HIS 156 N -1.17 -0.27 -2.00 0.38 -3.43 -1.26 -5.25 115.29 102.29 2jwx s HIS 156 Ca 0.44 -0.07 0.31 0.00 -0.80 0.00 0.00 55.06 54.94 2jwx s HIS 156 Cb -0.31 0.64 1.87 0.00 -1.43 0.00 0.00 32.58 33.35 2jwx s HIS 156 CO 0.40 -0.99 2.19 0.72 -2.00 0.00 0.00 174.74 175.06