#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwg n GLU 8 N 0.00 0.81 -1.84 -0.52 4.71 -1.26 -4.49 120.64 118.05 1jwg n GLU 8 Ca 0.00 -0.50 -0.34 0.00 -0.01 0.00 0.00 57.16 56.31 1jwg n GLU 8 Cb 0.00 -1.49 0.04 0.00 -1.01 0.00 0.00 31.44 28.98 1jwg n GLU 8 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1jwg s THR 9 N -2.54 3.02 0.21 2.62 -4.23 -1.26 -4.84 115.64 108.62 1jwg s THR 9 Ca 0.23 0.53 -0.10 0.00 -1.18 0.00 0.00 61.69 61.16 1jwg s THR 9 Cb 0.19 -3.09 0.14 0.00 1.34 0.00 0.00 72.50 71.08 1jwg s THR 9 CO 0.54 -0.24 1.75 -0.07 -0.54 0.00 0.00 174.62 176.05 1jwg h LEU 10 N 0.32 0.23 0.11 4.79 4.07 -1.93 -0.43 115.31 122.47 1jwg h LEU 10 Ca -0.48 0.08 0.02 0.00 0.08 0.00 0.00 57.88 57.58 1jwg h LEU 10 Cb 1.26 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 43.02 1jwg h LEU 10 CO 0.54 0.14 -0.30 -0.33 -1.08 0.00 0.00 178.44 177.41 1jwg h GLU 11 N 0.41 -0.50 -0.86 1.13 3.07 -1.98 0.15 114.58 116.00 1jwg h GLU 11 Ca 0.30 0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.20 1jwg h GLU 11 Cb 0.36 0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.34 1jwg h GLU 11 CO -0.30 -0.33 0.57 0.00 -1.40 0.00 0.00 179.01 177.55 1jwg h ALA 12 N 0.16 1.39 -0.08 3.43 0.00 -1.81 -1.48 119.26 120.86 1jwg h ALA 12 Ca 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1jwg h ALA 12 Cb 0.55 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jwg h ALA 12 CO -0.18 0.57 -0.01 0.00 0.00 0.00 0.00 179.25 179.63 1jwg h ARG 13 N 1.17 0.15 -0.08 0.00 3.08 -0.53 -2.54 114.38 115.63 1jwg h ARG 13 Ca 0.32 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.27 1jwg h ARG 13 Cb -0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1jwg h ARG 13 CO -0.07 0.46 -0.14 0.97 -1.07 0.00 0.00 179.97 180.11 1jwg h ILE 14 N -0.17 1.15 -0.66 2.04 6.09 -0.60 0.36 117.51 125.72 1jwg h ILE 14 Ca 0.02 -0.66 -0.05 0.00 -1.37 0.00 0.00 64.86 62.80 1jwg h ILE 14 Cb 0.40 1.25 -0.03 0.00 0.47 0.00 0.00 36.82 38.91 1jwg h ILE 14 CO 0.01 0.20 0.22 0.78 -3.07 0.00 0.00 178.15 176.29 1jwg h ASN 15 N 0.11 0.95 -0.15 2.19 -0.26 -1.06 -0.01 115.58 117.35 1jwg h ASN 15 Ca 0.02 -0.20 -0.14 0.00 -0.56 0.00 0.00 56.30 55.43 1jwg h ASN 15 Cb 0.33 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1jwg h ASN 15 CO 0.02 0.89 -0.45 -0.09 -1.06 0.00 0.00 177.43 176.74 1jwg h ARG 16 N 0.95 0.57 0.00 0.81 2.43 -1.11 -1.40 114.38 116.64 1jwg h ARG 16 Ca 0.22 -0.41 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 1jwg h ARG 16 Cb 0.27 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1jwg h ARG 16 CO -0.01 1.03 -0.10 0.00 -1.51 0.00 0.00 179.97 179.38 1jwg h ALA 17 N 0.54 1.29 -0.03 2.80 0.00 -0.60 -2.96 119.26 120.31 1jwg h ALA 17 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1jwg h ALA 17 Cb 1.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1jwg h ALA 17 CO 0.10 0.13 0.00 0.25 0.00 0.00 0.00 179.25 179.72 1jwg n THR 18 N -3.64 1.37 -1.67 0.00 -2.24 -0.05 -4.69 114.28 103.37 1jwg n THR 18 Ca -0.02 -1.49 -0.49 0.00 -2.27 0.00 0.00 64.05 59.78 1jwg n THR 18 Cb 0.22 0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 1jwg n THR 18 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jwg n ASN 19 N -0.78 2.99 0.25 3.42 2.85 -0.53 -4.45 115.26 119.01 1jwg n ASN 19 Ca 0.07 1.04 0.17 0.00 -0.11 0.00 0.00 54.58 55.76 1jwg n ASN 19 Cb 0.42 -1.35 0.88 0.00 1.24 0.00 0.00 39.78 40.97 1jwg n ASN 19 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1jwg h PRO 20 N 7.19 0.00 -0.01 1.20 0.11 -1.91 -1.53 132.00 137.05 1jwg h PRO 20 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jwg h PRO 20 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1jwg h PRO 20 CO 0.91 0.00 -0.13 1.28 -0.21 0.00 0.00 178.00 179.84 1jwg n LEU 21 N -2.71 0.84 -4.69 2.35 4.77 -1.26 -4.90 117.00 111.40 1jwg n LEU 21 Ca -0.02 -0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.36 1jwg n LEU 21 Cb 0.09 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1jwg n LEU 21 CO 0.17 0.15 1.37 0.20 -1.33 0.00 0.00 177.39 177.95 1jwg s ASN 22 N -2.37 6.55 0.17 -1.43 0.01 -0.58 -4.90 114.94 112.40 1jwg s ASN 22 Ca 0.30 2.56 -0.05 0.00 -0.71 0.00 0.00 52.86 54.96 1jwg s ASN 22 Cb 0.20 -2.56 0.04 0.00 0.41 0.00 0.00 41.25 39.34 1jwg s ASN 22 CO 0.46 -0.92 1.46 0.11 -1.51 0.00 0.00 177.10 176.69 1jwg h LYS 23 N 8.45 0.63 -4.38 -0.60 1.79 -1.90 -3.46 116.57 117.09 1jwg h LYS 23 Ca -0.44 -0.42 -0.19 0.00 -2.18 0.00 0.00 60.65 57.43 1jwg h LYS 23 Cb 1.21 0.06 -0.14 0.00 -1.58 0.00 0.00 32.23 31.77 1jwg h LYS 23 CO 0.94 1.03 -0.57 -1.83 -1.08 0.00 0.00 179.45 177.94 1jwg s GLU 24 N -3.96 1.08 0.07 3.15 -1.05 -1.26 -5.11 118.70 111.61 1jwg s GLU 24 Ca -0.08 -1.46 -0.35 0.00 -0.15 0.00 0.00 54.97 52.93 1jwg s GLU 24 Cb 0.11 0.28 -0.14 0.00 -0.44 0.00 0.00 34.13 33.93 1jwg s GLU 24 CO 0.86 -0.34 1.58 1.28 0.95 0.00 0.00 175.26 179.58 1jwg n LEU 25 N -0.18 2.70 -4.42 1.83 4.77 -1.26 -4.90 117.00 115.53 1jwg n LEU 25 Ca -0.03 1.07 -0.44 0.00 -0.03 0.00 0.00 56.01 56.58 1jwg n LEU 25 Cb 0.64 -1.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.39 1jwg n LEU 25 CO 0.30 -0.47 1.08 -0.62 -1.33 0.00 0.00 177.39 176.36 1jwg s ASP 26 N 1.51 7.00 0.33 -1.43 3.68 -1.26 -4.89 116.67 121.61 1jwg s ASP 26 Ca 0.84 -2.90 0.01 0.00 2.13 0.00 0.00 52.55 52.63 1jwg s ASP 26 Cb -0.79 -2.34 0.56 0.00 -1.45 0.00 0.00 42.92 38.91 1jwg s ASP 26 CO 0.45 -0.70 1.98 -0.50 0.13 0.00 0.00 175.17 176.53 1jwg h TRP 27 N 7.46 0.86 -0.78 -5.34 4.06 -1.96 0.82 115.95 121.08 1jwg h TRP 27 Ca 0.23 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.17 1jwg h TRP 27 Cb 0.92 -0.29 -0.04 0.00 -1.00 0.00 0.00 29.16 28.76 1jwg h TRP 27 CO 1.04 0.56 0.39 0.00 -3.56 0.00 0.00 178.44 176.87 1jwg h ALA 28 N 1.55 1.22 -0.05 1.49 0.00 -1.98 0.41 119.26 121.89 1jwg h ALA 28 Ca 0.24 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 1jwg h ALA 28 Cb -0.06 -0.31 0.02 0.00 0.00 0.00 0.00 17.79 17.44 1jwg h ALA 28 CO -0.05 0.61 -0.89 0.77 0.00 0.00 0.00 179.25 179.69 1jwg h SER 29 N 1.10 0.87 -0.14 0.00 0.02 -1.77 -1.17 113.55 112.46 1jwg h SER 29 Ca 0.27 -0.70 0.03 0.00 -0.84 0.00 0.00 61.79 60.55 1jwg h SER 29 Cb 0.08 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 1jwg h SER 29 CO -0.04 1.45 -0.04 0.40 -1.14 0.00 0.00 176.83 177.46 1jwg h ILE 30 N 0.37 0.85 -0.41 3.27 2.04 -0.44 -1.90 117.51 121.30 1jwg h ILE 30 Ca -0.10 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.66 1jwg h ILE 30 Cb 1.54 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 1jwg h ILE 30 CO 0.18 0.00 -0.15 0.78 0.00 0.00 0.00 178.15 178.95 1jwg h ASN 31 N -0.00 0.76 0.23 1.72 -0.26 -0.21 -2.34 115.58 115.47 1jwg h ASN 31 Ca 0.07 -0.24 -0.04 0.00 -0.56 0.00 0.00 56.30 55.53 1jwg h ASN 31 Cb 0.11 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 1jwg h ASN 31 CO -0.15 0.92 -0.19 1.23 -1.06 0.00 0.00 177.43 178.18 1jwg h GLY 32 N 0.97 0.00 0.47 2.83 0.00 -0.98 0.56 103.07 106.92 1jwg h GLY 32 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 1jwg h GLY 32 CO 0.04 0.00 -0.00 -2.75 0.00 0.00 0.00 176.54 173.83 1jwg h PHE 33 N 0.00 -0.01 -0.98 5.60 3.04 -0.83 -2.14 116.94 121.62 1jwg h PHE 33 Ca -0.00 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.02 1jwg h PHE 33 Cb 0.36 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.80 1jwg h PHE 33 CO 0.00 0.52 0.63 0.00 -2.02 0.00 0.00 178.31 177.44 1jwg h GLU 35 N 1.13 0.00 0.00 0.00 4.39 -0.78 -3.19 114.58 116.13 1jwg h GLU 35 Ca 0.43 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.12 1jwg h GLU 35 Cb 0.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1jwg h GLU 35 CO -0.18 0.14 -1.74 0.94 -1.16 0.00 0.00 179.01 177.00 1jwg n GLN 36 N -3.33 0.65 0.26 2.33 -0.06 -0.82 -4.54 117.38 111.87 1jwg n GLN 36 Ca -0.00 -0.10 0.10 0.00 -2.00 0.00 0.00 57.00 55.00 1jwg n GLN 36 Cb 0.36 -1.61 0.68 0.00 -4.06 0.00 0.00 30.24 25.61 1jwg n GLN 36 CO 0.00 0.00 0.00 1.37 -0.20 0.00 0.00 177.06 178.23 1jwg h LEU 37 N 0.00 0.00 -2.42 1.69 8.10 -1.45 -2.23 115.31 118.99 1jwg h LEU 37 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1jwg h LEU 37 Cb 1.05 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.27 1jwg h LEU 37 CO 0.00 0.10 0.00 -0.46 -4.11 0.00 0.00 178.44 173.97 1jwg n ASN 38 N -4.08 3.67 0.22 0.17 6.94 -1.26 -2.18 115.26 118.75 1jwg n ASN 38 Ca -0.03 -2.34 0.15 0.00 -0.02 0.00 0.00 54.58 52.34 1jwg n ASN 38 Cb 0.18 -0.50 0.54 0.00 -2.36 0.00 0.00 39.78 37.64 1jwg n ASN 38 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1jwg h GLU 39 N 3.02 0.00 -5.25 -3.83 4.22 -1.69 -3.45 114.58 107.59 1jwg h GLU 39 Ca 0.00 0.00 -0.38 0.00 0.08 0.00 0.00 59.36 59.06 1jwg h GLU 39 Cb 1.16 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.26 1jwg h GLU 39 CO 0.18 0.00 -0.71 -0.51 -2.18 0.00 0.00 179.01 175.79 1jwg s ASP 40 N -5.37 2.10 0.07 1.04 1.01 -1.26 -5.02 116.67 109.25 1jwg s ASP 40 Ca 0.03 -1.05 -0.22 0.00 0.71 0.00 0.00 52.55 52.02 1jwg s ASP 40 Cb 0.09 -0.06 -0.13 0.00 1.01 0.00 0.00 42.92 43.83 1jwg s ASP 40 CO 0.53 -0.31 1.63 0.15 0.21 0.00 0.00 175.17 177.38 1jwg h PHE 41 N 2.64 0.12 -0.24 4.23 3.57 -1.93 -2.83 116.94 122.51 1jwg h PHE 41 Ca -0.37 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.12 1jwg h PHE 41 Cb 1.21 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1jwg h PHE 41 CO 0.66 0.21 0.00 -0.85 -2.23 0.00 0.00 178.31 176.11 1jwg n GLU 42 N -4.95 1.94 0.25 1.11 0.00 -1.26 -4.49 120.64 113.23 1jwg n GLU 42 Ca -0.06 -1.01 -0.10 0.00 0.00 0.00 0.00 57.16 55.99 1jwg n GLU 42 Cb 0.10 -1.45 -0.05 0.00 0.00 0.00 0.00 31.44 30.04 1jwg n GLU 42 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1jwg h GLY 43 N 5.10 -0.71 0.14 -1.84 0.00 -1.66 -2.39 103.07 101.72 1jwg h GLY 43 Ca 0.00 0.26 0.14 0.00 0.00 0.00 0.00 47.33 47.73 1jwg h GLY 43 CO 0.08 -0.26 0.26 -2.55 0.00 0.00 0.00 176.54 174.07 1jwg h PRO 44 N -1.12 0.39 -0.00 4.80 0.11 -1.65 0.26 132.00 134.78 1jwg h PRO 44 Ca -0.07 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.88 1jwg h PRO 44 Cb 0.52 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1jwg h PRO 44 CO 0.11 0.26 -0.63 -1.35 -0.21 0.00 0.00 178.00 176.19 1jwg h PRO 45 N 0.40 0.02 -0.43 1.05 0.11 -1.87 -2.14 132.00 129.14 1jwg h PRO 45 Ca 0.40 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.44 1jwg h PRO 45 Cb 0.60 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 1jwg h PRO 45 CO -0.41 0.64 0.07 1.25 -0.21 0.00 0.00 178.00 179.34 1jwg h LEU 46 N 0.01 0.68 -0.68 2.35 5.85 -0.68 -2.02 115.31 120.82 1jwg h LEU 46 Ca -0.01 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.52 1jwg h LEU 46 Cb 1.11 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 1jwg h LEU 46 CO 0.08 0.77 0.36 0.00 -0.34 0.00 0.00 178.44 179.32 1jwg h ALA 47 N 0.94 0.92 -0.21 1.25 0.00 -0.37 0.26 119.26 122.06 1jwg h ALA 47 Ca 0.13 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1jwg h ALA 47 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1jwg h ALA 47 CO 0.01 0.01 -0.39 1.79 0.00 0.00 0.00 179.25 180.66 1jwg h THR 48 N 0.65 1.30 -0.31 0.00 1.35 -1.27 -1.25 112.91 113.37 1jwg h THR 48 Ca 0.32 -1.54 -0.03 0.00 -0.55 0.00 0.00 66.41 64.61 1jwg h THR 48 Cb 0.26 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 1jwg h THR 48 CO -0.22 0.48 0.08 0.03 -0.25 0.00 0.00 175.52 175.64 1jwg h ARG 49 N 0.39 0.49 -0.52 4.72 3.08 -0.59 -1.15 114.38 120.80 1jwg h ARG 49 Ca 0.04 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1jwg h ARG 49 Cb 0.86 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 1jwg h ARG 49 CO 0.07 0.56 0.27 -0.07 -1.07 0.00 0.00 179.97 179.73 1jwg h LEU 50 N 0.34 0.67 -0.50 3.04 3.38 -0.82 -2.89 115.31 118.54 1jwg h LEU 50 Ca 0.10 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1jwg h LEU 50 Cb 0.29 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1jwg h LEU 50 CO 0.00 0.60 0.01 -0.07 0.09 0.00 0.00 178.44 179.06 1jwg h LEU 51 N 0.70 0.86 -0.83 1.67 3.38 -1.12 -2.73 115.31 117.24 1jwg h LEU 51 Ca 0.18 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 57.91 1jwg h LEU 51 Cb 0.09 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 1jwg h LEU 51 CO -0.03 0.95 0.51 0.00 0.09 0.00 0.00 178.44 179.96 1jwg h ALA 52 N 0.94 1.14 -0.20 1.53 0.00 -1.12 -0.15 119.26 121.40 1jwg h ALA 52 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1jwg h ALA 52 Cb 0.51 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1jwg h ALA 52 CO 0.02 0.23 0.02 1.25 0.00 0.00 0.00 179.25 180.77 1jwg h HIS 53 N 0.91 0.37 -0.74 0.00 -0.00 -1.35 -2.59 115.15 111.76 1jwg h HIS 53 Ca 0.37 -0.06 -0.04 0.00 -0.00 0.00 0.00 60.37 60.64 1jwg h HIS 53 Cb 0.20 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.48 1jwg h HIS 53 CO -0.04 0.51 0.29 0.87 -0.00 0.00 0.00 177.93 179.56 1jwg h LYS 54 N 0.12 1.09 0.00 5.26 1.79 -1.17 -2.47 116.57 121.19 1jwg h LYS 54 Ca 0.06 -0.19 -0.05 0.00 -2.18 0.00 0.00 60.65 58.29 1jwg h LYS 54 Cb 0.35 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1jwg h LYS 54 CO 0.01 0.88 -0.22 0.82 -1.08 0.00 0.00 179.45 179.86 1jwg h ILE 55 N 1.07 1.09 -0.39 1.86 2.04 -0.94 -2.07 117.51 120.17 1jwg h ILE 55 Ca 0.25 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1jwg h ILE 55 Cb 0.20 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1jwg h ILE 55 CO -0.02 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.34 1jwg n GLN 56 N -4.18 2.22 -2.03 2.37 6.02 -0.94 -4.78 117.38 116.05 1jwg n GLN 56 Ca -0.02 -1.52 -0.41 0.00 -0.01 0.00 0.00 57.00 55.03 1jwg n GLN 56 Cb 0.28 -1.45 -0.02 0.00 1.02 0.00 0.00 30.24 30.06 1jwg n GLN 56 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1jwg s SER 57 N -0.87 6.68 0.61 1.08 0.15 -0.78 -4.89 113.70 115.68 1jwg s SER 57 Ca 0.28 2.62 0.35 0.00 0.70 0.00 0.00 55.95 59.90 1jwg s SER 57 Cb 0.16 -2.62 1.97 0.00 -1.71 0.00 0.00 66.02 63.82 1jwg s SER 57 CO 0.16 -0.70 2.25 -0.65 1.20 0.00 0.00 173.24 175.51 1jwg h PRO 58 N 5.37 0.00 -5.83 5.44 0.11 -1.92 -3.39 132.00 131.78 1jwg h PRO 58 Ca -0.45 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.05 1jwg h PRO 58 Cb 1.22 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.20 1jwg h PRO 58 CO 0.80 0.02 0.55 -0.65 -0.21 0.00 0.00 178.00 178.51 1jwg s GLN 59 N -4.31 3.33 0.28 1.05 -0.21 -1.26 -4.93 119.66 113.61 1jwg s GLN 59 Ca -0.04 -0.28 0.02 0.00 0.02 0.00 0.00 55.36 55.08 1jwg s GLN 59 Cb 0.14 -4.05 0.67 0.00 1.00 0.00 0.00 33.01 30.77 1jwg s GLN 59 CO 0.50 -1.48 1.72 1.49 -2.12 0.00 0.00 175.29 175.40 1jwg h GLU 60 N 9.30 0.46 -0.03 2.91 4.81 -1.99 -1.43 114.58 128.61 1jwg h GLU 60 Ca -0.26 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 58.83 1jwg h GLU 60 Cb 1.07 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1jwg h GLU 60 CO 1.08 0.30 -0.50 2.35 -0.73 0.00 0.00 179.01 181.51 1jwg h TRP 61 N 0.47 0.11 -0.40 0.92 -0.00 -1.93 0.10 115.95 115.22 1jwg h TRP 61 Ca 0.53 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.89 59.29 1jwg h TRP 61 Cb 0.94 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 30.07 1jwg h TRP 61 CO -0.12 0.57 -0.15 1.49 -0.00 0.00 0.00 178.44 180.24 1jwg h GLU 62 N 0.07 0.81 -0.01 2.65 4.81 -1.49 -1.95 114.58 119.47 1jwg h GLU 62 Ca -0.00 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1jwg h GLU 62 Cb 0.92 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 1jwg h GLU 62 CO 0.07 0.96 0.00 0.00 -0.73 0.00 0.00 179.01 179.31 1jwg h ALA 63 N 0.83 0.01 -0.77 2.92 0.00 -0.97 -1.80 119.26 119.48 1jwg h ALA 63 Ca 0.09 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1jwg h ALA 63 Cb 0.69 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1jwg h ALA 63 CO 0.05 -0.43 0.50 0.82 0.00 0.00 0.00 179.25 180.19 1jwg h ILE 64 N -0.11 1.20 -0.58 0.00 1.08 -0.73 -1.05 117.51 117.32 1jwg h ILE 64 Ca 0.00 -0.37 -0.08 0.00 -0.39 0.00 0.00 64.86 64.02 1jwg h ILE 64 Cb 0.12 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 33.92 1jwg h ILE 64 CO -0.00 0.19 0.04 1.56 -0.69 0.00 0.00 178.15 179.25 1jwg h GLN 65 N 1.04 0.97 -0.73 2.37 4.20 -1.29 -1.98 115.11 119.70 1jwg h GLN 65 Ca 0.28 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1jwg h GLN 65 Cb -0.11 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.53 1jwg h GLN 65 CO -0.06 0.93 0.39 0.00 -0.67 0.00 0.00 178.83 179.41 1jwg h ALA 66 N 1.14 0.93 -0.28 3.87 0.00 -0.79 0.10 119.26 124.23 1jwg h ALA 66 Ca 0.17 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1jwg h ALA 66 Cb 0.47 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1jwg h ALA 66 CO 0.02 0.46 -0.06 -0.07 0.00 0.00 0.00 179.25 179.60 1jwg h LEU 67 N 1.01 0.41 -0.46 0.00 3.38 -0.89 0.36 115.31 119.12 1jwg h LEU 67 Ca 0.25 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 1jwg h LEU 67 Cb 0.06 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1jwg h LEU 67 CO -0.04 0.52 -0.27 0.74 0.09 0.00 0.00 178.44 179.48 1jwg h THR 68 N 0.41 1.27 -0.12 0.22 2.02 -0.64 0.11 112.91 116.18 1jwg h THR 68 Ca 0.09 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.83 1jwg h THR 68 Cb 0.36 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1jwg h THR 68 CO 0.02 0.49 0.08 0.58 0.37 0.00 0.00 175.52 177.06 1jwg h VAL 69 N 0.84 1.05 -0.43 3.16 2.07 0.15 -0.59 116.25 122.50 1jwg h VAL 69 Ca 0.10 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.56 1jwg h VAL 69 Cb 0.86 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 1jwg h VAL 69 CO 0.08 0.05 0.07 0.25 0.02 0.00 0.00 177.57 178.04 1jwg h LEU 70 N 0.15 -0.02 -0.46 2.57 5.85 -0.04 -0.63 115.31 122.73 1jwg h LEU 70 Ca 0.05 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1jwg h LEU 70 Cb 0.01 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1jwg h LEU 70 CO -0.01 0.02 0.30 -0.08 -0.34 0.00 0.00 178.44 178.34 1jwg h GLU 71 N 0.20 0.60 -0.20 1.25 4.81 -0.51 -2.23 114.58 118.51 1jwg h GLU 71 Ca 0.21 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1jwg h GLU 71 Cb 0.27 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1jwg h GLU 71 CO -0.29 0.40 0.12 1.15 -0.73 0.00 0.00 179.01 179.66 1jwg h THR 72 N 0.62 1.07 0.00 0.32 2.02 -0.43 -2.68 112.91 113.82 1jwg h THR 72 Ca 0.17 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.13 1jwg h THR 72 Cb -0.07 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1jwg h THR 72 CO -0.04 0.06 -0.32 0.00 0.37 0.00 0.00 175.52 175.60 1jwg h MET 74 N 0.00 0.42 0.00 0.00 2.07 -1.18 0.51 114.93 116.75 1jwg h MET 74 Ca -0.00 -0.24 -0.20 0.00 -2.07 0.00 0.00 59.70 57.19 1jwg h MET 74 Cb 0.59 0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 30.31 1jwg h MET 74 CO 0.04 0.82 -0.95 0.87 1.07 0.00 0.00 176.91 178.76 1jwg h LYS 75 N 0.33 0.00 0.00 1.72 1.57 -1.10 -3.36 116.57 115.73 1jwg h LYS 75 Ca 0.02 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.59 1jwg h LYS 75 Cb 0.98 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.26 1jwg h LYS 75 CO 0.09 0.95 -1.58 0.43 -0.57 0.00 0.00 179.45 178.76 1jwg n SER 76 N -3.39 0.77 -4.99 0.86 7.64 -0.35 -4.99 113.62 109.17 1jwg n SER 76 Ca -0.00 0.35 -0.19 0.00 1.01 0.00 0.00 58.87 60.03 1jwg n SER 76 Cb 0.90 0.23 0.02 0.00 -1.01 0.00 0.00 64.21 64.36 1jwg n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jwg n GLY 78 N -2.12 2.06 0.36 0.00 0.00 -1.26 -4.87 105.19 99.36 1jwg n GLY 78 Ca 0.08 -1.99 -0.02 0.00 0.00 0.00 0.00 46.02 44.09 1jwg n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jwg h LYS 79 N 0.00 1.25 -0.54 1.61 3.64 -2.00 -1.73 116.57 118.80 1jwg h LYS 79 Ca 0.00 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.40 1jwg h LYS 79 Cb 0.00 -0.28 -0.07 0.00 -0.41 0.00 0.00 32.23 31.46 1jwg h LYS 79 CO 0.00 0.82 0.11 0.00 -2.27 0.00 0.00 179.45 178.12 1jwg h ARG 80 N 1.28 0.25 -0.07 1.90 2.47 -1.99 0.25 114.38 118.47 1jwg h ARG 80 Ca 0.36 -0.01 -0.23 0.00 -1.26 0.00 0.00 59.98 58.84 1jwg h ARG 80 Cb -0.11 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 28.17 1jwg h ARG 80 CO -0.09 0.16 -0.88 0.35 0.56 0.00 0.00 179.97 180.07 1jwg h PHE 81 N 0.25 0.88 -0.69 3.04 3.04 -1.86 -2.64 116.94 118.96 1jwg h PHE 81 Ca 0.27 -0.43 -0.03 0.00 3.98 0.00 0.00 57.97 61.76 1jwg h PHE 81 Cb 0.38 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.74 1jwg h PHE 81 CO -0.23 1.25 0.33 0.45 -2.02 0.00 0.00 178.31 178.09 1jwg h HIS 82 N 0.39 1.01 -0.75 0.41 3.86 -0.99 -1.74 115.15 117.35 1jwg h HIS 82 Ca -0.08 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1jwg h HIS 82 Cb 1.50 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 29.63 1jwg h HIS 82 CO 0.08 0.75 0.45 -0.44 0.86 0.00 0.00 177.93 179.63 1jwg h ASP 83 N 0.97 0.89 -0.09 2.45 5.19 -0.48 0.34 116.42 125.68 1jwg h ASP 83 Ca 0.24 -0.05 -0.24 0.00 -0.62 0.00 0.00 57.03 56.36 1jwg h ASP 83 Cb 0.13 -0.22 0.01 0.00 0.18 0.00 0.00 39.33 39.43 1jwg h ASP 83 CO -0.03 0.68 -0.88 -0.33 -3.12 0.00 0.00 179.24 175.56 1jwg h GLU 84 N 1.03 0.76 0.00 3.56 4.39 -1.24 -3.06 114.58 120.02 1jwg h GLU 84 Ca 0.27 -0.70 -0.06 0.00 0.34 0.00 0.00 59.36 59.22 1jwg h GLU 84 Cb -0.05 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1jwg h GLU 84 CO -0.05 1.29 -0.26 0.28 -1.16 0.00 0.00 179.01 179.10 1jwg h VAL 85 N 0.48 0.59 -0.07 3.13 2.07 -1.03 -3.04 116.25 118.37 1jwg h VAL 85 Ca -0.08 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1jwg h VAL 85 Cb 1.52 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1jwg h VAL 85 CO 0.18 0.26 0.00 0.61 0.02 0.00 0.00 177.57 178.64 1jwg n GLY 86 N 0.37 -0.30 3.87 2.17 0.00 0.12 -4.19 105.19 107.23 1jwg n GLY 86 Ca 0.01 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1jwg n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jwg s LYS 87 N -1.91 3.80 0.44 1.61 1.02 -1.15 -4.42 119.74 119.14 1jwg s LYS 87 Ca 0.33 0.23 0.12 0.00 0.02 0.00 0.00 55.97 56.67 1jwg s LYS 87 Cb 0.17 -2.91 1.02 0.00 -0.52 0.00 0.00 37.83 35.59 1jwg s LYS 87 CO 0.27 0.49 2.05 0.74 -0.92 0.00 0.00 175.35 177.98 1jwg h PHE 88 N 3.39 0.37 -0.89 3.18 0.04 -1.89 -0.39 116.94 120.75 1jwg h PHE 88 Ca -0.48 0.01 0.23 0.00 2.80 0.00 0.00 57.97 60.53 1jwg h PHE 88 Cb 1.19 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 39.16 1jwg h PHE 88 CO 0.65 0.21 0.61 -0.09 -0.60 0.00 0.00 178.31 179.09 1jwg h ARG 89 N 0.38 0.16 0.01 1.51 2.43 -1.94 0.18 114.38 117.11 1jwg h ARG 89 Ca 0.17 -0.01 -0.41 0.00 -0.81 0.00 0.00 59.98 58.92 1jwg h ARG 89 Cb 0.21 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 1jwg h ARG 89 CO -0.04 0.11 -2.36 0.34 -1.51 0.00 0.00 179.97 176.51 1jwg n PHE 90 N -4.38 0.19 -0.27 2.20 7.35 -0.33 -4.40 117.46 117.82 1jwg n PHE 90 Ca 0.19 0.06 0.05 0.00 -0.76 0.00 0.00 57.45 56.99 1jwg n PHE 90 Cb 0.84 -1.02 0.19 0.00 0.35 0.00 0.00 39.48 39.84 1jwg n PHE 90 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1jwg h LEU 91 N -0.59 0.46 -0.77 -2.13 3.38 -0.83 -1.20 115.31 113.63 1jwg h LEU 91 Ca -0.61 0.09 0.10 0.00 0.09 0.00 0.00 57.88 57.55 1jwg h LEU 91 Cb 1.71 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 42.41 1jwg h LEU 91 CO -0.26 0.21 0.40 0.78 0.09 0.00 0.00 178.44 179.66 1jwg h ASN 92 N 0.58 0.53 0.01 -0.43 -0.26 -0.88 -0.38 115.58 114.74 1jwg h ASN 92 Ca 0.42 0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 56.22 1jwg h ASN 92 Cb 0.58 -0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 37.81 1jwg h ASN 92 CO -0.35 0.29 -0.01 -0.33 -1.06 0.00 0.00 177.43 175.97 1jwg h GLU 93 N 0.66 0.00 0.15 0.81 4.39 -1.43 0.24 114.58 119.39 1jwg h GLU 93 Ca 0.38 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.83 1jwg h GLU 93 Cb 0.42 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1jwg h GLU 93 CO -0.28 0.01 -1.09 -0.07 -1.16 0.00 0.00 179.01 176.42 1jwg h LEU 94 N 0.00 0.70 -1.09 1.33 3.38 -0.97 -3.26 115.31 115.40 1jwg h LEU 94 Ca -0.00 -0.88 0.11 0.00 0.09 0.00 0.00 57.88 57.20 1jwg h LEU 94 Cb 0.02 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.47 1jwg h LEU 94 CO 0.00 1.52 0.61 0.40 0.09 0.00 0.00 178.44 181.07 1jwg h ILE 95 N -0.01 0.95 -0.67 1.22 2.04 -0.35 -1.39 117.51 119.31 1jwg h ILE 95 Ca -0.18 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.39 1jwg h ILE 95 Cb 1.82 -0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 1jwg h ILE 95 CO 0.21 0.17 0.44 0.11 0.00 0.00 0.00 178.15 179.08 1jwg h LYS 96 N 0.96 0.78 -0.24 2.37 1.57 -1.02 -0.19 116.57 120.79 1jwg h LYS 96 Ca 0.46 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 59.06 1jwg h LYS 96 Cb 0.45 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1jwg h LYS 96 CO -0.22 0.51 -0.42 0.28 -0.57 0.00 0.00 179.45 179.03 1jwg h VAL 97 N 0.80 1.30 0.00 0.50 2.07 -1.32 -0.76 116.25 118.83 1jwg h VAL 97 Ca 0.27 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1jwg h VAL 97 Cb 0.07 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1jwg h VAL 97 CO -0.07 0.50 -0.82 -0.37 0.02 0.00 0.00 177.57 176.83 1jwg h VAL 98 N 0.48 0.00 -3.36 2.57 -1.51 -1.15 -2.96 116.25 110.32 1jwg h VAL 98 Ca 0.04 -0.84 -0.56 0.00 -1.23 0.00 0.00 66.70 64.11 1jwg h VAL 98 Cb 0.93 1.39 -0.05 0.00 -2.13 0.00 0.00 31.29 31.43 1jwg h VAL 98 CO 0.08 0.00 0.19 -0.55 -1.23 0.00 0.00 177.57 176.06 1jwg s SER 99 N -5.06 7.03 0.48 4.19 0.15 -0.16 -4.57 113.70 115.77 1jwg s SER 99 Ca 0.02 1.25 0.18 0.00 0.70 0.00 0.00 55.95 58.10 1jwg s SER 99 Cb 0.10 -2.44 1.20 0.00 -1.71 0.00 0.00 66.02 63.17 1jwg s SER 99 CO 0.76 -0.20 2.03 -0.65 1.20 0.00 0.00 173.24 176.38 1jwg h PRO 100 N 6.90 0.18 0.00 5.44 0.11 -1.89 0.40 132.00 143.14 1jwg h PRO 100 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1jwg h PRO 100 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1jwg h PRO 100 CO 0.77 0.12 0.00 -0.22 -0.21 0.00 0.00 178.00 178.46 1jwg h LYS 101 N 0.19 0.00 0.00 1.05 1.63 -1.93 -3.38 116.57 114.13 1jwg h LYS 101 Ca 0.20 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 1jwg h LYS 101 Cb 0.54 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1jwg h LYS 101 CO -0.03 0.00 0.00 0.66 -3.45 0.00 0.00 179.45 176.63 1jwg n TYR 102 N -2.73 0.00 0.86 1.91 4.01 -0.53 -4.99 117.16 115.68 1jwg n TYR 102 Ca 0.01 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 1jwg n TYR 102 Cb 0.24 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.19 1jwg n TYR 102 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1jwg n LEU 103 N 0.00 1.10 -0.32 7.72 4.77 -0.30 -4.64 117.00 125.33 1jwg n LEU 103 Ca 0.00 -0.56 0.14 0.00 -0.03 0.00 0.00 56.01 55.56 1jwg n LEU 103 Cb 0.00 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.42 1jwg n LEU 103 CO 0.00 0.25 1.09 1.23 -1.33 0.00 0.00 177.39 178.62 1jwg h GLY 104 N 4.25 1.65 1.18 -0.72 0.00 -0.08 -0.97 103.07 108.38 1jwg h GLY 104 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1jwg h GLY 104 CO 0.00 -0.25 0.00 -1.26 0.00 0.00 0.00 176.54 175.03 1jwg n SER 105 N -4.98 0.00 0.00 0.19 2.88 -1.26 -2.51 113.62 107.94 1jwg n SER 105 Ca 0.23 -0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 1jwg n SER 105 Cb 0.67 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1jwg n SER 105 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1jwg n ARG 106 N -1.09 -0.32 -4.18 -1.46 1.74 -0.40 -5.04 116.66 105.90 1jwg n ARG 106 Ca 0.15 -0.42 -0.36 0.00 -0.77 0.00 0.00 57.85 56.45 1jwg n ARG 106 Cb 0.11 -0.82 -0.08 0.00 -1.02 0.00 0.00 32.46 30.64 1jwg n ARG 106 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1jwg s THR 107 N -0.08 4.76 0.81 0.55 2.01 -0.98 -5.08 115.64 117.63 1jwg s THR 107 Ca 0.00 -0.07 -0.12 0.00 0.31 0.00 0.00 61.69 61.81 1jwg s THR 107 Cb 0.00 -3.04 0.09 0.00 0.01 0.00 0.00 72.50 69.56 1jwg s THR 107 CO 0.00 0.60 1.16 -0.94 -0.69 0.00 0.00 174.62 174.75 1jwg s SER 108 N -0.85 3.74 0.18 3.53 1.04 -1.26 -4.88 113.70 115.20 1jwg s SER 108 Ca 0.13 2.18 -0.10 0.00 0.48 0.00 0.00 55.95 58.64 1jwg s SER 108 Cb -0.12 -2.57 0.08 0.00 0.10 0.00 0.00 66.02 63.52 1jwg s SER 108 CO 0.03 -2.56 1.68 -0.08 0.98 0.00 0.00 173.24 173.29 1jwg h GLU 109 N -1.10 1.03 -0.14 4.02 4.57 -1.99 -2.57 114.58 118.40 1jwg h GLU 109 Ca -0.45 -0.27 0.05 0.00 -1.18 0.00 0.00 59.36 57.51 1jwg h GLU 109 Cb 1.27 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 29.68 1jwg h GLU 109 CO 0.47 0.96 -0.29 -0.22 -1.18 0.00 0.00 179.01 178.74 1jwg h LYS 110 N 0.95 -0.34 -0.55 1.92 3.64 -2.00 -1.65 116.57 118.54 1jwg h LYS 110 Ca 0.19 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1jwg h LYS 110 Cb 0.42 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1jwg h LYS 110 CO 0.01 -0.23 0.25 0.28 -2.27 0.00 0.00 179.45 177.49 1jwg h VAL 111 N -0.35 1.21 -0.61 2.00 2.07 -1.91 -2.45 116.25 116.21 1jwg h VAL 111 Ca 0.10 -0.62 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 1jwg h VAL 111 Cb 0.51 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1jwg h VAL 111 CO -0.34 0.24 0.04 0.11 0.02 0.00 0.00 177.57 177.63 1jwg h LYS 112 N 0.75 1.05 -0.13 1.57 1.57 -1.22 -2.62 116.57 117.53 1jwg h LYS 112 Ca 0.19 -0.31 -0.14 0.00 -1.87 0.00 0.00 60.65 58.52 1jwg h LYS 112 Cb 0.15 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1jwg h LYS 112 CO -0.02 1.00 -0.51 -0.91 -0.57 0.00 0.00 179.45 178.44 1jwg h ASN 113 N 0.97 0.40 0.21 0.86 2.35 -1.24 -1.82 115.58 117.31 1jwg h ASN 113 Ca 0.18 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1jwg h ASN 113 Cb 0.51 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1jwg h ASN 113 CO 0.02 0.85 -0.18 0.50 -1.65 0.00 0.00 177.43 176.97 1jwg h LYS 114 N 0.29 -0.39 -0.62 0.81 3.11 -1.28 0.20 116.57 118.69 1jwg h LYS 114 Ca 0.01 0.03 0.07 0.00 -2.81 0.00 0.00 60.65 57.94 1jwg h LYS 114 Cb 1.00 0.09 -0.06 0.00 -1.00 0.00 0.00 32.23 32.27 1jwg h LYS 114 CO 0.09 -0.26 0.31 0.82 -2.81 0.00 0.00 179.45 177.60 1jwg h ILE 115 N -0.41 0.91 -0.45 2.00 2.04 -1.17 0.02 117.51 120.46 1jwg h ILE 115 Ca -0.01 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1jwg h ILE 115 Cb 0.37 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1jwg h ILE 115 CO -0.03 0.10 0.23 -0.07 0.00 0.00 0.00 178.15 178.39 1jwg h LEU 116 N 0.57 0.57 -0.12 1.44 3.38 -0.88 0.15 115.31 120.41 1jwg h LEU 116 Ca 0.29 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1jwg h LEU 116 Cb 0.23 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1jwg h LEU 116 CO -0.21 0.51 -0.04 -0.33 0.09 0.00 0.00 178.44 178.46 1jwg h GLU 117 N 0.58 -0.02 -0.51 1.13 5.08 -0.03 -1.30 114.58 119.52 1jwg h GLU 117 Ca 0.16 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1jwg h GLU 117 Cb 0.08 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1jwg h GLU 117 CO -0.02 -0.01 0.26 -0.07 -1.00 0.00 0.00 179.01 178.17 1jwg h LEU 118 N -0.02 0.38 -0.22 1.33 3.38 -0.65 -1.11 115.31 118.40 1jwg h LEU 118 Ca 0.06 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1jwg h LEU 118 Cb 0.11 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1jwg h LEU 118 CO -0.14 0.26 0.11 -0.07 0.09 0.00 0.00 178.44 178.69 1jwg h LEU 119 N 0.51 0.17 -0.16 1.67 3.38 -0.57 -2.03 115.31 118.28 1jwg h LEU 119 Ca 0.22 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1jwg h LEU 119 Cb 0.13 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1jwg h LEU 119 CO -0.15 0.13 0.08 0.22 0.09 0.00 0.00 178.44 178.81 1jwg h TYR 120 N 0.24 0.22 -0.93 1.13 3.20 -0.84 -2.51 116.97 117.47 1jwg h TYR 120 Ca 0.09 -0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.13 1jwg h TYR 120 Cb 0.02 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.14 1jwg h TYR 120 CO -0.09 0.22 0.60 0.66 -1.64 0.00 0.00 178.16 177.91 1jwg h SER 121 N 0.15 0.62 0.85 -2.11 4.64 -0.89 0.33 113.55 117.14 1jwg h SER 121 Ca 0.05 0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.33 1jwg h SER 121 Cb 0.08 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1jwg h SER 121 CO -0.01 0.27 -0.46 -0.50 -0.87 0.00 0.00 176.83 175.26 1jwg h TRP 122 N 0.63 0.00 -0.34 4.77 6.55 -1.03 0.26 115.95 126.79 1jwg h TRP 122 Ca 0.49 0.00 -0.14 0.00 0.95 0.00 0.00 58.89 60.19 1jwg h TRP 122 Cb 0.91 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.20 1jwg h TRP 122 CO -0.00 0.46 -0.36 1.79 -1.05 0.00 0.00 178.44 179.28 1jwg h THR 123 N 0.00 1.28 0.12 1.49 1.35 0.05 0.61 112.91 117.81 1jwg h THR 123 Ca -0.00 -1.53 -0.28 0.00 -0.55 0.00 0.00 66.41 64.05 1jwg h THR 123 Cb 1.01 1.40 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1jwg h THR 123 CO 0.06 0.50 -1.32 -0.37 -0.25 0.00 0.00 175.52 174.14 1jwg h VAL 124 N 0.66 1.40 0.00 6.82 -1.51 -1.20 -3.21 116.25 119.21 1jwg h VAL 124 Ca 0.06 -3.00 -0.16 0.00 -1.23 0.00 0.00 66.70 62.37 1jwg h VAL 124 Cb 0.91 2.88 -0.03 0.00 -2.13 0.00 0.00 31.29 32.93 1jwg h VAL 124 CO 0.08 0.87 -1.28 1.23 -1.23 0.00 0.00 177.57 177.25 1jwg h GLY 125 N 1.69 0.00 -4.88 5.19 0.00 -0.48 -3.40 103.07 101.20 1jwg h GLY 125 Ca -0.16 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.71 1jwg h GLY 125 CO 0.19 0.00 -1.01 1.04 0.00 0.00 0.00 176.54 176.76 1jwg n LEU 126 N -2.94 2.74 0.09 3.11 4.77 0.21 -4.87 117.00 120.11 1jwg n LEU 126 Ca -0.08 -4.40 0.03 0.00 -0.03 0.00 0.00 56.01 51.53 1jwg n LEU 126 Cb 0.82 0.08 0.16 0.00 -2.33 0.00 0.00 43.42 42.15 1jwg n LEU 126 CO 0.43 1.88 0.66 -0.81 -1.33 0.00 0.00 177.39 178.22 1jwg n PRO 127 N -0.21 0.04 -0.16 3.23 -0.04 -1.21 0.20 135.00 136.85 1jwg n PRO 127 Ca 0.22 0.41 -0.06 0.00 -0.04 0.00 0.00 63.50 64.03 1jwg n PRO 127 Cb 0.74 -1.97 0.03 0.00 -0.04 0.00 0.00 33.50 32.26 1jwg n PRO 127 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1jwg h GLU 128 N 0.00 0.57 -6.43 0.54 3.07 -1.89 -3.37 114.58 107.07 1jwg h GLU 128 Ca 0.00 -0.03 -0.54 0.00 -0.50 0.00 0.00 59.36 58.28 1jwg h GLU 128 Cb 0.67 -0.13 -0.08 0.00 -0.84 0.00 0.00 28.75 28.37 1jwg h GLU 128 CO 0.00 0.38 1.04 -1.21 -1.40 0.00 0.00 179.01 177.82 1jwg s GLU 129 N -6.15 3.29 0.09 2.33 0.41 0.13 -4.89 118.70 113.92 1jwg s GLU 129 Ca -0.13 -0.03 -0.18 0.00 -0.41 0.00 0.00 54.97 54.22 1jwg s GLU 129 Cb 0.12 -4.13 -0.07 0.00 -1.78 0.00 0.00 34.13 28.28 1jwg s GLU 129 CO 0.74 -2.00 1.56 -0.24 -0.49 0.00 0.00 175.26 174.82 1jwg h VAL 130 N 6.11 1.24 -0.89 2.63 3.04 -1.84 -3.19 116.25 123.34 1jwg h VAL 130 Ca -0.27 -0.82 0.09 0.00 -1.01 0.00 0.00 66.70 64.69 1jwg h VAL 130 Cb 1.06 1.25 -0.06 0.00 -2.01 0.00 0.00 31.29 31.53 1jwg h VAL 130 CO 1.24 0.26 0.58 0.11 -1.01 0.00 0.00 177.57 178.75 1jwg h LYS 131 N 0.26 0.88 -0.83 4.17 1.57 -1.90 0.24 116.57 120.96 1jwg h LYS 131 Ca 0.08 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1jwg h LYS 131 Cb 0.36 -0.20 -0.07 0.00 0.08 0.00 0.00 32.23 32.40 1jwg h LYS 131 CO 0.01 0.59 0.47 0.82 -0.57 0.00 0.00 179.45 180.76 1jwg h ILE 132 N 0.91 0.91 -0.28 1.86 2.04 -1.76 1.42 117.51 122.61 1jwg h ILE 132 Ca 0.41 -0.27 -0.15 0.00 1.00 0.00 0.00 64.86 65.85 1jwg h ILE 132 Cb 0.36 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1jwg h ILE 132 CO -0.17 0.14 -0.39 0.00 0.00 0.00 0.00 178.15 177.73 1jwg h ALA 133 N 1.46 0.42 0.53 1.87 0.00 -1.12 -0.01 119.26 122.40 1jwg h ALA 133 Ca 0.40 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1jwg h ALA 133 Cb 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1jwg h ALA 133 CO -0.25 0.52 -0.46 1.49 0.00 0.00 0.00 179.25 180.55 1jwg h GLU 134 N 0.51 -0.95 -0.84 0.00 4.81 0.16 0.63 114.58 118.91 1jwg h GLU 134 Ca 0.03 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 1jwg h GLU 134 Cb 0.98 0.21 -0.07 0.00 0.63 0.00 0.00 28.75 30.51 1jwg h GLU 134 CO 0.09 -0.63 0.50 0.00 -0.73 0.00 0.00 179.01 178.24 1jwg h ALA 135 N -0.77 1.19 -0.39 2.92 0.00 0.18 -0.85 119.26 121.54 1jwg h ALA 135 Ca -0.06 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1jwg h ALA 135 Cb 0.84 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1jwg h ALA 135 CO -0.02 0.17 -0.12 -0.92 0.00 0.00 0.00 179.25 178.36 1jwg h TYR 136 N 0.87 0.75 0.63 0.00 3.20 -0.59 -2.25 116.97 119.59 1jwg h TYR 136 Ca 0.39 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 1jwg h TYR 136 Cb 0.29 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1jwg h TYR 136 CO -0.05 0.77 -0.47 0.37 -1.64 0.00 0.00 178.16 177.15 1jwg h GLN 137 N 0.63 -1.02 -0.96 1.82 4.15 0.14 -1.63 115.11 118.24 1jwg h GLN 137 Ca 0.11 0.07 0.23 0.00 0.77 0.00 0.00 58.65 59.83 1jwg h GLN 137 Cb 0.56 0.23 -0.08 0.00 0.21 0.00 0.00 27.48 28.41 1jwg h GLN 137 CO 0.04 -0.68 0.63 1.98 -1.93 0.00 0.00 178.83 178.87 1jwg h MET 138 N -1.05 0.39 -0.27 1.69 4.05 -1.07 0.41 114.93 119.08 1jwg h MET 138 Ca -0.08 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.22 1jwg h MET 138 Cb 0.87 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.57 1jwg h MET 138 CO 0.03 0.25 -0.23 -0.07 0.23 0.00 0.00 176.91 177.12 1jwg h LEU 139 N 0.40 0.51 -0.26 3.39 3.38 -0.88 -0.10 115.31 121.75 1jwg h LEU 139 Ca 0.52 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 58.23 1jwg h LEU 139 Cb 1.32 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1jwg h LEU 139 CO -0.21 0.74 -0.18 0.50 0.09 0.00 0.00 178.44 179.37 1jwg h LYS 140 N 0.45 0.58 -0.13 1.13 3.64 0.72 -0.65 116.57 122.31 1jwg h LYS 140 Ca 0.07 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 1jwg h LYS 140 Cb 0.65 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1jwg h LYS 140 CO 0.05 0.86 0.02 -0.22 -2.27 0.00 0.00 179.45 177.89 1jwg h LYS 141 N 0.30 0.22 0.00 1.90 3.64 -1.06 -2.69 116.57 118.88 1jwg h LYS 141 Ca 0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1jwg h LYS 141 Cb 0.72 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1jwg h LYS 141 CO 0.05 0.40 0.00 0.94 -2.27 0.00 0.00 179.45 178.57 1jwg n GLN 142 N -4.83 0.17 -0.32 1.90 -0.06 -0.07 -4.88 117.38 109.30 1jwg n GLN 142 Ca -0.05 0.51 0.00 0.00 -2.00 0.00 0.00 57.00 55.45 1jwg n GLN 142 Cb 0.17 -1.91 0.00 0.00 -4.06 0.00 0.00 30.24 24.44 1jwg n GLN 142 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1jwg n GLY 143 N -0.50 0.83 0.15 1.69 0.00 -0.96 -5.00 105.19 101.40 1jwg n GLY 143 Ca 0.01 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 1jwg n GLY 143 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jwg h ILE 144 N 0.00 1.02 -0.13 -0.61 2.04 -1.36 -3.37 117.51 115.09 1jwg h ILE 144 Ca 0.00 -2.55 -0.04 0.00 1.00 0.00 0.00 64.86 63.26 1jwg h ILE 144 Cb 0.00 2.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.91 1jwg h ILE 144 CO 0.00 0.85 -0.09 0.58 0.00 0.00 0.00 178.15 179.49 1jwg h VAL 145 N 0.12 1.33 0.00 1.67 2.07 -1.81 -3.50 116.25 116.14 1jwg h VAL 145 Ca -0.33 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1jwg h VAL 145 Cb 2.12 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.73 1jwg h VAL 145 CO 0.20 0.34 0.00 0.29 0.02 0.00 0.00 177.57 178.43