#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wws s LYS 4 N 0.00 4.08 0.17 3.23 1.02 -1.26 -3.83 119.74 123.15 1wws s LYS 4 Ca 0.00 0.96 -0.16 0.00 0.02 0.00 0.00 55.97 56.79 1wws s LYS 4 Cb 0.00 -2.21 0.12 0.00 -0.52 0.00 0.00 37.83 35.22 1wws s LYS 4 CO 0.00 -0.09 1.66 0.28 -0.92 0.00 0.00 175.35 176.28 1wws h VAL 5 N 1.53 0.55 -0.21 3.17 2.07 -2.02 0.66 116.25 121.99 1wws h VAL 5 Ca -0.48 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.07 1wws h VAL 5 Cb 1.18 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1wws h VAL 5 CO 0.62 0.00 0.15 0.00 0.02 0.00 0.00 177.57 178.36 1wws h ALA 6 N 1.43 2.02 -0.26 1.67 0.00 -2.04 -1.13 119.26 120.96 1wws h ALA 6 Ca 0.21 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1wws h ALA 6 Cb 0.33 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1wws h ALA 6 CO -0.46 -0.06 -0.25 0.93 0.00 0.00 0.00 179.25 179.41 1wws h GLU 7 N 0.14 0.62 0.16 0.00 5.08 -1.34 0.22 114.58 119.46 1wws h GLU 7 Ca 0.09 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1wws h GLU 7 Cb 0.19 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1wws h GLU 7 CO -0.01 0.92 -0.14 0.74 -1.00 0.00 0.00 179.01 179.52 1wws h PHE 8 N 0.34 -0.35 -0.69 4.33 0.04 -0.45 -2.04 116.94 118.11 1wws h PHE 8 Ca 0.04 0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.92 1wws h PHE 8 Cb 0.81 0.13 -0.08 0.00 2.20 0.00 0.00 35.95 39.01 1wws h PHE 8 CO 0.07 -0.21 0.30 0.93 -0.60 0.00 0.00 178.31 178.80 1wws h GLU 9 N -0.31 0.48 -0.79 1.51 5.08 -1.17 -1.16 114.58 118.21 1wws h GLU 9 Ca -0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1wws h GLU 9 Cb 0.29 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1wws h GLU 9 CO -0.02 0.32 0.43 -0.09 -1.00 0.00 0.00 179.01 178.65 1wws h ARG 10 N 0.49 1.10 -0.19 2.33 2.43 -0.60 -0.26 114.38 119.68 1wws h ARG 10 Ca 0.36 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 59.29 1wws h ARG 10 Cb 0.46 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1wws h ARG 10 CO -0.32 0.81 -0.32 -0.07 -1.51 0.00 0.00 179.97 178.55 1wws h LEU 11 N 1.11 0.61 -0.52 3.80 3.38 -0.59 -1.12 115.31 121.97 1wws h LEU 11 Ca 0.28 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1wws h LEU 11 Cb 0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1wws h LEU 11 CO -0.05 1.02 0.31 -0.26 0.09 0.00 0.00 178.44 179.56 1wws h PHE 12 N 0.21 0.68 0.50 1.13 0.04 -1.05 -0.65 116.94 117.80 1wws h PHE 12 Ca 0.01 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 1wws h PHE 12 Cb 0.90 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.84 1wws h PHE 12 CO 0.09 0.47 -0.24 0.00 -0.60 0.00 0.00 178.31 178.03 1wws h ARG 13 N 0.69 -0.64 -0.57 1.51 3.08 -0.95 -1.34 114.38 116.15 1wws h ARG 13 Ca 0.19 0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.19 1wws h ARG 13 Cb -0.01 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1wws h ARG 13 CO -0.03 -0.36 -0.00 1.96 -1.07 0.00 0.00 179.97 180.46 1wws h GLN 14 N -0.84 1.00 0.04 0.04 4.20 -1.20 0.80 115.11 119.15 1wws h GLN 14 Ca -0.07 -0.30 -0.22 0.00 0.06 0.00 0.00 58.65 58.12 1wws h GLN 14 Cb 0.58 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1wws h GLN 14 CO 0.11 0.98 -1.00 0.00 -0.67 0.00 0.00 178.83 178.25 1wws h ALA 15 N 1.07 0.36 0.00 3.87 0.00 -1.18 -3.40 119.26 119.98 1wws h ALA 15 Ca 0.17 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1wws h ALA 15 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wws h ALA 15 CO 0.03 0.98 0.00 0.00 0.00 0.00 0.00 179.25 180.26 1wws n ALA 16 N -2.47 0.61 -3.57 0.00 0.00 -0.59 -4.83 120.51 109.67 1wws n ALA 16 Ca -0.05 -0.24 -0.23 0.00 0.00 0.00 0.00 53.44 52.93 1wws n ALA 16 Cb 0.89 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.42 1wws n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wws n GLY 17 N 0.00 -0.50 3.60 0.00 0.00 0.28 -4.95 105.19 103.62 1wws n GLY 17 Ca 0.00 0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1wws n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wws s LEU 18 N -7.09 3.15 -0.28 0.99 1.43 -0.87 -4.74 118.68 111.27 1wws s LEU 18 Ca 0.45 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.27 1wws s LEU 18 Cb -0.20 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.18 1wws s LEU 18 CO 0.73 0.22 -0.01 -1.81 0.23 0.00 0.00 176.35 175.71 1wws s ASP 19 N -1.87 4.72 -0.13 2.29 -0.00 -0.45 -3.01 116.67 118.22 1wws s ASP 19 Ca 0.20 -1.09 -0.17 0.00 -0.00 0.00 0.00 52.55 51.49 1wws s ASP 19 Cb -0.11 -1.71 -0.04 0.00 -0.00 0.00 0.00 42.92 41.05 1wws s ASP 19 CO 0.12 -0.21 0.44 0.68 -0.00 0.00 0.00 175.17 176.19 1wws s VAL 20 N 1.30 5.21 0.25 -1.27 -7.23 -1.26 -3.89 120.40 113.50 1wws s VAL 20 Ca -0.03 0.86 -0.30 0.00 -1.81 0.00 0.00 61.98 60.70 1wws s VAL 20 Cb -0.19 -3.78 -0.10 0.00 0.56 0.00 0.00 36.38 32.88 1wws s VAL 20 CO -0.02 0.33 1.45 -0.62 -0.31 0.00 0.00 175.10 175.93 1wws s ASP 21 N 0.64 6.64 0.46 4.85 3.68 -1.26 -4.89 116.67 126.79 1wws s ASP 21 Ca 0.24 2.68 0.19 0.00 2.13 0.00 0.00 52.55 57.79 1wws s ASP 21 Cb -0.15 -2.62 1.17 0.00 -1.45 0.00 0.00 42.92 39.87 1wws s ASP 21 CO 0.09 -0.71 1.93 0.11 0.13 0.00 0.00 175.17 176.71 1wws h LYS 22 N 5.07 0.27 0.00 4.34 1.57 -1.99 0.18 116.57 126.01 1wws h LYS 22 Ca -0.46 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1wws h LYS 22 Cb 1.22 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1wws h LYS 22 CO 0.78 0.18 0.00 0.09 -0.57 0.00 0.00 179.45 179.93 1wws n ASN 23 N -4.44 0.00 -0.01 0.86 3.02 -1.26 -2.61 115.26 110.82 1wws n ASN 23 Ca 0.14 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1wws n ASN 23 Cb 0.60 -0.11 -0.04 0.00 -0.61 0.00 0.00 39.78 39.62 1wws n ASN 23 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1wws n ASP 24 N -1.11 3.90 -0.24 6.41 8.00 0.62 -4.75 116.55 129.39 1wws n ASP 24 Ca 0.08 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.67 1wws n ASP 24 Cb 0.06 0.91 0.35 0.00 -0.02 0.00 0.00 41.12 42.42 1wws n ASP 24 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1wws h LEU 25 N 0.00 0.70 -0.31 0.64 3.38 -1.27 -1.53 115.31 116.90 1wws h LEU 25 Ca -0.06 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1wws h LEU 25 Cb 0.75 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1wws h LEU 25 CO 0.00 0.41 0.17 0.50 0.09 0.00 0.00 178.44 179.61 1wws h LYS 26 N 0.77 0.44 -0.62 1.13 3.64 -1.86 -0.49 116.57 119.58 1wws h LYS 26 Ca 0.38 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.65 1wws h LYS 26 Cb 0.46 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1wws h LYS 26 CO -0.15 0.38 0.16 -0.09 -2.27 0.00 0.00 179.45 177.47 1wws h ARG 27 N 0.39 0.99 -0.52 1.90 9.65 -1.76 -0.89 114.38 124.14 1wws h ARG 27 Ca 0.11 -0.24 0.03 0.00 -1.10 0.00 0.00 59.98 58.79 1wws h ARG 27 Cb 0.07 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.48 1wws h ARG 27 CO -0.02 0.90 0.30 0.28 2.80 0.00 0.00 179.97 184.23 1wws h VAL 28 N 0.91 1.02 -0.16 0.20 2.07 -1.04 0.22 116.25 119.47 1wws h VAL 28 Ca 0.20 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1wws h VAL 28 Cb 0.35 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1wws h VAL 28 CO 0.00 0.11 0.08 -1.28 0.02 0.00 0.00 177.57 176.50 1wws h SER 29 N 0.59 0.21 -0.54 0.57 0.87 -0.72 -1.30 113.55 113.23 1wws h SER 29 Ca 0.22 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 1wws h SER 29 Cb 0.06 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1wws h SER 29 CO -0.12 0.25 0.07 0.44 -0.53 0.00 0.00 176.83 176.95 1wws h ASP 30 N 0.15 0.91 -0.24 6.23 3.32 -0.86 0.13 116.42 126.04 1wws h ASP 30 Ca 0.06 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1wws h ASP 30 Cb 0.09 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1wws h ASP 30 CO -0.01 0.92 0.10 0.15 -1.72 0.00 0.00 179.24 178.68 1wws h PHE 31 N 0.89 0.37 -0.00 4.55 3.57 -0.37 0.12 116.94 126.07 1wws h PHE 31 Ca 0.18 -0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.50 1wws h PHE 31 Cb 0.42 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1wws h PHE 31 CO 0.03 0.39 -0.73 -0.07 -2.23 0.00 0.00 178.31 175.70 1wws h LEU 32 N 0.24 0.02 -0.78 0.59 3.38 -1.15 -2.22 115.31 115.39 1wws h LEU 32 Ca 0.08 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1wws h LEU 32 Cb 0.17 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1wws h LEU 32 CO -0.01 0.74 0.20 -0.09 0.09 0.00 0.00 178.44 179.37 1wws h ARG 33 N 0.01 1.12 -0.36 1.13 1.12 -0.56 0.57 114.38 117.41 1wws h ARG 33 Ca -0.01 -0.25 -0.11 0.00 -1.11 0.00 0.00 59.98 58.50 1wws h ARG 33 Cb 1.29 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 31.08 1wws h ARG 33 CO 0.10 0.97 -0.24 -0.91 -3.11 0.00 0.00 179.97 176.78 1wws h ASN 34 N 1.07 0.73 -0.27 -3.80 2.35 -0.75 0.12 115.58 115.03 1wws h ASN 34 Ca 0.23 -0.27 -0.13 0.00 -0.55 0.00 0.00 56.30 55.59 1wws h ASN 34 Cb 0.33 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1wws h ASN 34 CO -0.00 0.95 -0.29 0.11 -1.65 0.00 0.00 177.43 176.55 1wws h LYS 35 N 0.63 0.78 -0.43 0.81 1.79 -0.94 -0.60 116.57 118.60 1wws h LYS 35 Ca 0.09 -0.35 -0.13 0.00 -2.18 0.00 0.00 60.65 58.08 1wws h LYS 35 Cb 0.74 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 1wws h LYS 35 CO 0.06 0.97 -0.25 1.25 -1.08 0.00 0.00 179.45 180.40 1wws h LEU 36 N 0.66 0.92 -0.70 2.94 5.85 -0.64 -1.49 115.31 122.85 1wws h LEU 36 Ca 0.08 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1wws h LEU 36 Cb 0.82 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1wws h LEU 36 CO 0.07 1.12 0.38 0.22 -0.34 0.00 0.00 178.44 179.89 1wws h TYR 37 N 0.77 0.97 -0.37 1.25 3.20 -0.73 -1.85 116.97 120.20 1wws h TYR 37 Ca 0.10 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 1wws h TYR 37 Cb 0.80 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 1wws h TYR 37 CO 0.05 0.70 -0.06 -0.44 -1.64 0.00 0.00 178.16 176.76 1wws h ASP 38 N 0.97 0.60 -0.58 -2.11 3.32 -0.76 0.55 116.42 118.40 1wws h ASP 38 Ca 0.25 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1wws h ASP 38 Cb 0.05 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1wws h ASP 38 CO -0.04 0.71 0.28 -0.07 -1.72 0.00 0.00 179.24 178.40 1wws h LEU 39 N 0.58 0.76 -0.78 1.55 3.38 -0.63 -2.13 115.31 118.02 1wws h LEU 39 Ca 0.11 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1wws h LEU 39 Cb 0.46 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1wws h LEU 39 CO 0.02 0.67 -0.46 -0.07 0.09 0.00 0.00 178.44 178.70 1wws h LEU 40 N 0.79 0.36 -0.65 1.67 3.38 -0.87 -1.07 115.31 118.92 1wws h LEU 40 Ca 0.20 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1wws h LEU 40 Cb 0.12 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1wws h LEU 40 CO -0.03 0.78 -0.10 0.00 0.09 0.00 0.00 178.44 179.18 1wws h ALA 41 N 1.24 0.85 -0.38 1.53 0.00 -0.69 0.47 119.26 122.29 1wws h ALA 41 Ca 0.02 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 1wws h ALA 41 Cb 0.92 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1wws h ALA 41 CO 0.08 0.65 -0.35 0.28 0.00 0.00 0.00 179.25 179.90 1wws h VAL 42 N 0.85 1.28 -0.94 0.00 2.07 -1.28 -2.69 116.25 115.54 1wws h VAL 42 Ca 0.14 -1.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.13 1wws h VAL 42 Cb 0.64 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 1wws h VAL 42 CO 0.04 0.51 0.58 0.00 0.02 0.00 0.00 177.57 178.72 1wws h ALA 43 N 0.77 1.20 -0.61 1.67 0.00 -0.78 -0.39 119.26 121.13 1wws h ALA 43 Ca 0.06 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1wws h ALA 43 Cb 0.95 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1wws h ALA 43 CO 0.09 0.65 0.05 1.49 0.00 0.00 0.00 179.25 181.53 1wws h GLU 44 N 1.30 1.03 -0.53 0.00 4.81 -0.83 0.66 114.58 121.02 1wws h GLU 44 Ca 0.34 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1wws h GLU 44 Cb -0.08 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 1wws h GLU 44 CO -0.07 0.97 0.28 -0.09 -0.73 0.00 0.00 179.01 179.37 1wws h ARG 45 N 0.95 0.74 -0.40 1.92 2.43 -1.07 -1.34 114.38 117.61 1wws h ARG 45 Ca 0.18 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.16 1wws h ARG 45 Cb 0.48 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1wws h ARG 45 CO 0.02 0.59 -0.15 -0.91 -1.51 0.00 0.00 179.97 178.01 1wws h ASN 46 N 0.71 0.74 -0.40 -3.80 2.35 -0.68 -0.85 115.58 113.65 1wws h ASN 46 Ca 0.18 -0.23 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1wws h ASN 46 Cb 0.07 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1wws h ASN 46 CO -0.03 0.90 0.15 0.00 -1.65 0.00 0.00 177.43 176.80 1wws h ALA 47 N 1.17 0.52 -0.44 -0.83 0.00 -0.56 -1.45 119.26 117.66 1wws h ALA 47 Ca 0.11 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1wws h ALA 47 Cb 0.63 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1wws h ALA 47 CO 0.04 0.13 -0.11 0.87 0.00 0.00 0.00 179.25 180.19 1wws h LYS 48 N 0.50 0.80 -0.61 0.00 1.57 -1.06 -1.19 116.57 116.58 1wws h LYS 48 Ca 0.13 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1wws h LYS 48 Cb 0.21 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1wws h LYS 48 CO -0.01 0.88 0.32 -0.92 -0.57 0.00 0.00 179.45 179.15 1wws h TYR 49 N 0.72 0.83 -0.33 -1.35 5.03 -0.90 -1.97 116.97 119.01 1wws h TYR 49 Ca 0.12 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.41 1wws h TYR 49 Cb 0.60 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.61 1wws h TYR 49 CO 0.03 0.60 0.00 0.09 -1.32 0.00 0.00 178.16 177.56 1wws n ASN 50 N -4.37 1.83 -2.31 -2.11 3.02 -0.57 -4.92 115.26 105.83 1wws n ASN 50 Ca 0.06 -1.97 -0.15 0.00 -0.03 0.00 0.00 54.58 52.49 1wws n ASN 50 Cb 0.11 -0.22 0.04 0.00 -0.61 0.00 0.00 39.78 39.10 1wws n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wws n GLY 51 N 1.06 -0.07 3.52 7.41 0.00 -0.74 -5.03 105.19 111.34 1wws n GLY 51 Ca 0.12 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1wws n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wws s ARG 52 N -5.59 1.88 0.00 1.61 0.52 -0.48 -5.01 118.95 111.87 1wws s ARG 52 Ca 0.30 -1.18 0.24 0.00 -0.52 0.00 0.00 55.73 54.57 1wws s ARG 52 Cb -0.13 -2.15 0.49 0.00 0.52 0.00 0.00 34.95 33.69 1wws s ARG 52 CO 0.37 0.48 1.43 -0.25 0.02 0.00 0.00 175.30 177.34 1wws n ASP 53 N 0.64 2.72 -4.08 0.23 10.43 -1.26 -4.28 116.55 120.95 1wws n ASP 53 Ca -0.14 -1.88 -0.13 0.00 2.57 0.00 0.00 54.79 55.21 1wws n ASP 53 Cb 0.53 -0.11 -0.11 0.00 1.84 0.00 0.00 41.12 43.27 1wws n ASP 53 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1wws s LEU 54 N -1.74 2.28 -0.15 0.64 1.02 -1.26 -3.94 118.68 115.52 1wws s LEU 54 Ca 0.34 -0.59 -0.15 0.00 0.02 0.00 0.00 54.13 53.75 1wws s LEU 54 Cb 0.21 -0.17 -0.04 0.00 0.02 0.00 0.00 46.19 46.20 1wws s LEU 54 CO 0.30 -0.22 0.34 -0.63 0.02 0.00 0.00 176.35 176.17 1wws s ILE 55 N -1.55 5.27 0.40 -0.59 1.01 -0.63 -4.85 121.20 120.26 1wws s ILE 55 Ca -0.08 0.66 0.07 0.00 0.00 0.00 0.00 60.65 61.30 1wws s ILE 55 Cb -0.09 -3.68 -0.07 0.00 0.01 0.00 0.00 42.46 38.63 1wws s ILE 55 CO 0.00 0.36 0.05 -0.36 0.00 0.00 0.00 174.94 174.99 1wws s PHE 56 N 0.57 2.54 0.25 3.97 0.08 -1.26 -0.54 117.98 123.58 1wws s PHE 56 Ca 0.19 -0.62 -0.03 0.00 0.12 0.00 0.00 56.93 56.58 1wws s PHE 56 Cb -0.14 -1.79 0.45 0.00 -0.57 0.00 0.00 43.02 40.98 1wws s PHE 56 CO 0.06 0.39 1.77 1.49 -0.10 0.00 0.00 175.22 178.83 1wws h GLU 57 N 1.70 0.61 0.00 0.44 4.81 -1.95 -1.34 114.58 118.84 1wws h GLU 57 Ca -0.43 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1wws h GLU 57 Cb 1.24 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1wws h GLU 57 CO 0.77 0.40 0.00 -1.35 -0.73 0.00 0.00 179.01 178.10 1wws h PRO 58 N 0.63 0.00 0.00 0.92 0.11 -2.02 -1.37 132.00 130.27 1wws h PRO 58 Ca 0.42 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.42 1wws h PRO 58 Cb 0.52 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 1wws h PRO 58 CO -0.32 0.00 -0.51 -0.44 -0.21 0.00 0.00 178.00 176.52 1wws h ASP 59 N 0.00 0.00 -3.35 -2.05 3.32 -1.57 -3.43 116.42 109.34 1wws h ASP 59 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1wws h ASP 59 Cb 0.01 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.57 1wws h ASP 59 CO 0.00 0.51 0.57 -0.76 -1.72 0.00 0.00 179.24 177.84 1wws s LEU 60 N -7.60 4.42 -1.35 1.55 1.43 -0.52 -3.64 118.68 112.96 1wws s LEU 60 Ca -0.01 2.16 -0.16 0.00 -1.03 0.00 0.00 54.13 55.09 1wws s LEU 60 Cb 0.13 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.78 1wws s LEU 60 CO 0.74 -0.42 2.06 -0.81 0.23 0.00 0.00 176.35 178.15 1wws n PRO 61 N 3.11 2.81 -3.50 1.29 -0.04 -1.26 -4.89 135.00 132.52 1wws n PRO 61 Ca 0.06 -2.73 -0.42 0.00 -0.04 0.00 0.00 63.50 60.37 1wws n PRO 61 Cb 0.45 -3.33 -0.10 0.00 -0.04 0.00 0.00 33.50 30.48 1wws n PRO 61 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1wws s ILE 62 N 3.87 4.98 0.81 0.52 1.01 -1.26 -5.06 121.20 126.06 1wws s ILE 62 Ca 0.50 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 60.18 1wws s ILE 62 Cb 0.11 -3.84 0.07 0.00 0.01 0.00 0.00 42.46 38.81 1wws s ILE 62 CO -0.02 -0.36 1.09 0.00 0.00 0.00 0.00 174.94 175.65 1wws s ALA 63 N 1.62 2.17 0.27 9.38 0.00 -1.26 -4.77 121.76 129.17 1wws s ALA 63 Ca 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 51.96 51.83 1wws s ALA 63 Cb -0.20 -3.12 0.57 0.00 0.00 0.00 0.00 23.12 20.36 1wws s ALA 63 CO 0.08 -1.79 1.74 -0.22 0.00 0.00 0.00 175.76 175.57 1wws h LYS 64 N -1.14 0.52 -0.69 0.00 3.64 -1.99 -0.83 116.57 116.10 1wws h LYS 64 Ca -0.47 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 58.82 1wws h LYS 64 Cb 1.27 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 1wws h LYS 64 CO 0.58 0.35 0.20 0.78 -2.27 0.00 0.00 179.45 179.09 1wws h GLY 65 N 0.54 1.16 1.45 5.01 0.00 -2.00 -1.59 103.07 107.65 1wws h GLY 65 Ca 0.48 -0.70 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 1wws h GLY 65 CO -0.41 0.66 -0.38 -2.00 0.00 0.00 0.00 176.54 174.41 1wws h LEU 66 N 1.01 0.64 -0.68 3.11 5.85 -1.68 -2.00 115.31 121.56 1wws h LEU 66 Ca 0.22 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1wws h LEU 66 Cb 0.33 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1wws h LEU 66 CO -0.00 0.95 0.44 -0.61 -0.34 0.00 0.00 178.44 178.88 1wws h GLN 67 N 0.50 0.85 -0.02 1.25 5.75 -0.84 0.87 115.11 123.47 1wws h GLN 67 Ca 0.05 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 1wws h GLN 67 Cb 0.89 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 1wws h GLN 67 CO 0.08 0.56 -0.39 0.93 -2.65 0.00 0.00 178.83 177.36 1wws h GLU 68 N 0.88 0.05 -0.18 1.69 5.08 -1.02 -1.24 114.58 119.83 1wws h GLU 68 Ca 0.26 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.41 1wws h GLU 68 Cb -0.04 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1wws h GLU 68 CO -0.08 0.43 -0.65 1.15 -1.00 0.00 0.00 179.01 178.86 1wws h THR 69 N 0.04 1.31 -0.72 1.13 2.02 -0.63 -1.18 112.91 114.88 1wws h THR 69 Ca 0.00 -1.90 0.01 0.00 0.77 0.00 0.00 66.41 65.29 1wws h THR 69 Cb 0.71 1.86 -0.04 0.00 -1.74 0.00 0.00 68.15 68.94 1wws h THR 69 CO 0.05 0.60 0.48 0.25 0.37 0.00 0.00 175.52 177.27 1wws h LEU 70 N 0.50 0.82 -0.96 2.58 5.85 -0.29 0.69 115.31 124.50 1wws h LEU 70 Ca -0.02 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 1wws h LEU 70 Cb 1.25 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1wws h LEU 70 CO 0.13 0.59 -0.18 1.56 -0.34 0.00 0.00 178.44 180.20 1wws h GLN 71 N 0.97 0.55 -0.87 1.25 1.08 -1.10 -1.15 115.11 115.84 1wws h GLN 71 Ca 0.27 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1wws h GLN 71 Cb -0.10 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.24 1wws h GLN 71 CO -0.06 0.70 0.52 1.49 -0.95 0.00 0.00 178.83 180.53 1wws h GLU 72 N 0.49 1.18 -0.17 1.46 4.57 0.05 -1.87 114.58 120.30 1wws h GLU 72 Ca 0.08 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1wws h GLU 72 Cb 0.59 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1wws h GLU 72 CO 0.04 0.84 -0.01 0.35 -1.18 0.00 0.00 179.01 179.05 1wws h PHE 73 N 1.20 0.34 -0.85 0.92 3.57 -0.33 -3.06 116.94 118.73 1wws h PHE 73 Ca 0.31 -0.06 0.13 0.00 3.53 0.00 0.00 57.97 61.87 1wws h PHE 73 Cb -0.04 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.55 1wws h PHE 73 CO 0.00 0.54 0.55 0.00 -2.23 0.00 0.00 178.31 177.17 1wws h ARG 74 N 0.05 0.68 -3.33 1.11 3.08 -0.88 -3.35 114.38 111.74 1wws h ARG 74 Ca 0.05 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 59.83 1wws h ARG 74 Cb 0.41 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1wws h ARG 74 CO 0.01 0.45 1.67 0.54 -1.07 0.00 0.00 179.97 181.57 1wws n ARG 75 N -4.54 1.37 0.00 0.04 1.74 -0.73 -4.55 116.66 109.99 1wws n ARG 75 Ca 0.16 -1.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.23 1wws n ARG 75 Cb 0.42 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 1wws n ARG 75 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wws n ASP 77 N 3.99 0.00 -4.01 0.55 -0.08 -1.26 -5.11 116.55 110.63 1wws n ASP 77 Ca 0.29 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 53.26 1wws n ASP 77 Cb 0.17 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.48 1wws n ASP 77 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1wws s THR 78 N 0.00 1.91 -0.22 5.18 2.01 -1.26 -5.10 115.64 118.16 1wws s THR 78 Ca 0.00 -1.52 -0.20 0.00 0.31 0.00 0.00 61.69 60.28 1wws s THR 78 Cb 0.00 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1wws s THR 78 CO 0.00 -0.10 0.60 0.00 -0.69 0.00 0.00 174.62 174.42 1wws s ALA 79 N 1.21 3.56 0.03 7.40 0.00 -1.26 -4.99 121.76 127.72 1wws s ALA 79 Ca -0.06 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.57 1wws s ALA 79 Cb -0.19 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 1wws s ALA 79 CO -0.06 -0.61 -0.05 -0.51 0.00 0.00 0.00 175.76 174.53 1wws s LEU 80 N 2.02 3.24 0.46 0.00 1.43 -1.26 -5.11 118.68 119.47 1wws s LEU 80 Ca 0.26 -0.16 -0.21 0.00 -1.03 0.00 0.00 54.13 52.99 1wws s LEU 80 Cb -0.16 -1.90 -0.08 0.00 0.03 0.00 0.00 46.19 44.08 1wws s LEU 80 CO 0.10 0.25 1.05 -1.61 0.23 0.00 0.00 176.35 176.37 1wws s GLU 81 N -1.67 3.87 -0.06 1.70 2.02 -1.26 -4.86 118.70 118.44 1wws s GLU 81 Ca 0.19 1.44 -0.23 0.00 0.02 0.00 0.00 54.97 56.39 1wws s GLU 81 Cb -0.11 -2.22 -0.30 0.00 0.10 0.00 0.00 34.13 31.60 1wws s GLU 81 CO 0.10 -0.39 0.90 1.25 0.02 0.00 0.00 175.26 177.15 1wws h LEU 82 N 1.81 0.40 -0.77 1.80 6.46 -1.95 -3.38 115.31 119.67 1wws h LEU 82 Ca -0.49 -0.94 0.14 0.00 -0.12 0.00 0.00 57.88 56.47 1wws h LEU 82 Cb 1.22 -0.13 -0.14 0.00 -0.73 0.00 0.00 40.66 40.88 1wws h LEU 82 CO 0.60 1.30 -0.30 0.11 -0.62 0.00 0.00 178.44 179.53 1wws h LYS 83 N -0.44 -0.06 -0.65 1.25 1.57 -1.97 -0.53 116.57 115.74 1wws h LYS 83 Ca -0.11 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1wws h LYS 83 Cb 1.49 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.78 1wws h LYS 83 CO 0.12 -0.04 0.43 -1.35 -0.57 0.00 0.00 179.45 178.04 1wws h PRO 84 N -0.06 0.75 -0.13 3.15 0.11 -1.85 0.49 132.00 134.46 1wws h PRO 84 Ca 0.32 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.34 1wws h PRO 84 Cb 0.58 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 1wws h PRO 84 CO -0.81 0.49 -0.10 0.28 -0.21 0.00 0.00 178.00 177.65 1wws h VAL 85 N 0.77 1.34 -0.79 3.15 2.07 -1.23 -0.43 116.25 121.13 1wws h VAL 85 Ca 0.26 -1.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1wws h VAL 85 Cb 0.08 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1wws h VAL 85 CO -0.07 0.35 0.30 -0.07 0.02 0.00 0.00 177.57 178.10 1wws h LEU 86 N -0.08 1.11 -0.90 2.57 3.38 -0.99 -1.00 115.31 119.39 1wws h LEU 86 Ca 0.02 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1wws h LEU 86 Cb 0.60 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1wws h LEU 86 CO 0.03 0.99 -0.06 0.44 0.09 0.00 0.00 178.44 179.93 1wws h ASP 87 N 1.16 0.73 -0.34 -0.43 3.32 -0.85 -0.61 116.42 119.39 1wws h ASP 87 Ca 0.26 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1wws h ASP 87 Cb 0.24 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1wws h ASP 87 CO -0.02 0.83 0.04 0.00 -1.72 0.00 0.00 179.24 178.38 1wws h ALA 88 N 1.24 0.45 0.00 3.45 0.00 -0.60 -2.96 119.26 120.84 1wws h ALA 88 Ca 0.13 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1wws h ALA 88 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1wws h ALA 88 CO 0.03 0.16 -0.26 -0.07 0.00 0.00 0.00 179.25 179.11 1wws h LEU 89 N 0.40 0.00 -0.53 0.00 3.38 -0.93 -2.95 115.31 114.68 1wws h LEU 89 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1wws h LEU 89 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1wws h LEU 89 CO 0.01 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.80 1wws n ALA 90 N -2.32 1.45 0.45 1.53 0.00 -0.26 -1.33 120.51 120.04 1wws n ALA 90 Ca -0.01 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.61 1wws n ALA 90 Cb 0.37 -1.27 0.45 0.00 0.00 0.00 0.00 19.45 19.00 1wws n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wws h ALA 91 N 2.25 1.00 -1.88 0.00 0.00 -1.62 -3.44 119.26 115.57 1wws h ALA 91 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1wws h ALA 91 Cb 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1wws h ALA 91 CO 0.00 0.00 -0.46 -0.51 0.00 0.00 0.00 179.25 178.28 1wws s LEU 92 N -4.86 3.58 0.20 0.00 1.43 -0.44 -5.06 118.68 113.53 1wws s LEU 92 Ca 0.07 -0.50 -0.32 0.00 -1.03 0.00 0.00 54.13 52.35 1wws s LEU 92 Cb 0.10 -2.18 -0.15 0.00 0.03 0.00 0.00 46.19 43.99 1wws s LEU 92 CO 0.51 -0.32 1.22 -2.65 0.23 0.00 0.00 176.35 175.35 1wws n PRO 93 N -1.33 1.45 -2.36 1.29 -0.02 -1.26 -4.93 135.00 127.84 1wws n PRO 93 Ca -0.02 0.52 -0.36 0.00 -2.02 0.00 0.00 63.50 61.61 1wws n PRO 93 Cb 0.60 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 32.01 1wws n PRO 93 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1wws s PRO 94 N -0.50 3.78 0.56 0.52 0.04 -1.26 -5.00 135.00 133.14 1wws s PRO 94 Ca 0.70 1.64 -0.19 0.00 0.04 0.00 0.00 61.00 63.19 1wws s PRO 94 Cb -0.78 -2.33 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 1wws s PRO 94 CO 0.52 -0.50 1.13 -0.51 0.04 0.00 0.00 177.00 177.68 1wws s LEU 95 N -3.13 3.71 0.12 -3.56 1.43 -1.26 -4.94 118.68 111.04 1wws s LEU 95 Ca 0.64 2.15 0.04 0.00 -1.03 0.00 0.00 54.13 55.93 1wws s LEU 95 Cb -0.25 -4.58 -0.20 0.00 0.03 0.00 0.00 46.19 41.19 1wws s LEU 95 CO 0.30 -1.26 1.26 0.44 0.23 0.00 0.00 176.35 177.32 1wws h ASP 96 N 1.06 0.13 -2.83 2.29 3.32 -1.99 -3.46 116.42 114.93 1wws h ASP 96 Ca -0.50 -0.13 -0.58 0.00 0.02 0.00 0.00 57.03 55.85 1wws h ASP 96 Cb 1.26 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 1wws h ASP 96 CO 0.57 1.08 -0.43 -0.76 -1.72 0.00 0.00 179.24 177.98 1wws s LEU 97 N -6.90 4.32 0.33 1.55 1.43 -1.26 -5.08 118.68 113.07 1wws s LEU 97 Ca -0.01 0.31 -0.27 0.00 -1.03 0.00 0.00 54.13 53.13 1wws s LEU 97 Cb 0.09 -3.04 -0.09 0.00 0.03 0.00 0.00 46.19 43.18 1wws s LEU 97 CO 0.84 0.08 1.10 -0.70 0.23 0.00 0.00 176.35 177.89 1wws s GLU 98 N -2.90 4.42 -0.03 1.70 2.12 -1.25 -4.87 118.70 117.89 1wws s GLU 98 Ca 0.36 1.73 -0.09 0.00 0.36 0.00 0.00 54.97 57.33 1wws s GLU 98 Cb -0.12 -2.93 -0.05 0.00 0.26 0.00 0.00 34.13 31.30 1wws s GLU 98 CO 0.28 0.03 0.27 0.14 -0.54 0.00 0.00 175.26 175.44 1wws s VAL 99 N -1.34 5.28 0.74 3.70 -7.23 -1.26 -1.61 120.40 118.68 1wws s VAL 99 Ca 0.50 0.39 -0.12 0.00 -1.81 0.00 0.00 61.98 60.93 1wws s VAL 99 Cb -0.29 -3.55 0.04 0.00 0.56 0.00 0.00 36.38 33.14 1wws s VAL 99 CO 0.37 0.51 1.11 0.00 -0.31 0.00 0.00 175.10 176.78 1wws s ALA 100 N -1.15 2.24 0.47 1.32 0.00 0.30 -4.78 121.76 120.17 1wws s ALA 100 Ca 0.22 0.45 0.15 0.00 0.00 0.00 0.00 51.96 52.79 1wws s ALA 100 Cb -0.14 -3.32 1.14 0.00 0.00 0.00 0.00 23.12 20.80 1wws s ALA 100 CO 0.11 -1.70 2.05 1.49 0.00 0.00 0.00 175.76 177.71 1wws h GLU 101 N -0.72 0.23 -0.89 0.00 4.57 -1.98 -0.59 114.58 115.21 1wws h GLU 101 Ca -0.45 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 1wws h GLU 101 Cb 1.25 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.74 1wws h GLU 101 CO 0.51 0.16 0.53 0.38 -1.18 0.00 0.00 179.01 179.40 1wws h ASP 102 N 0.24 1.09 -0.06 1.04 2.03 -1.93 -2.70 116.42 116.13 1wws h ASP 102 Ca 0.17 -0.08 -0.22 0.00 -0.73 0.00 0.00 57.03 56.17 1wws h ASP 102 Cb 0.37 -0.27 0.01 0.00 -0.83 0.00 0.00 39.33 38.61 1wws h ASP 102 CO -0.03 0.84 -0.80 0.58 -1.03 0.00 0.00 179.24 178.80 1wws h VAL 103 N 1.24 1.30 -0.17 4.15 2.07 -1.45 -2.67 116.25 120.71 1wws h VAL 103 Ca 0.32 -2.04 0.04 0.00 0.82 0.00 0.00 66.70 65.85 1wws h VAL 103 Cb -0.03 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1wws h VAL 103 CO -0.06 0.64 -0.10 0.03 0.02 0.00 0.00 177.57 178.10 1wws h ARG 104 N 0.48 -0.08 0.00 1.57 3.08 -1.04 0.12 114.38 118.51 1wws h ARG 104 Ca -0.06 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1wws h ARG 104 Cb 1.42 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.48 1wws h ARG 104 CO 0.16 -0.06 -0.22 -0.91 -1.07 0.00 0.00 179.97 177.87 1wws h ASN 105 N -0.09 0.00 -0.15 7.04 2.35 -1.57 -2.94 115.58 120.22 1wws h ASN 105 Ca 0.10 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.68 1wws h ASN 105 Cb 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 1wws h ASN 105 CO -0.22 0.22 -0.52 0.25 -1.65 0.00 0.00 177.43 175.51 1wws h LEU 106 N 0.00 0.81 -0.60 1.61 5.85 -0.79 -3.34 115.31 118.85 1wws h LEU 106 Ca -0.00 -0.42 0.12 0.00 0.84 0.00 0.00 57.88 58.41 1wws h LEU 106 Cb 0.66 -0.23 -0.12 0.00 0.37 0.00 0.00 40.66 41.34 1wws h LEU 106 CO 0.03 1.18 -0.23 -0.07 -0.34 0.00 0.00 178.44 179.00 1wws h LEU 107 N 0.57 -0.82 -1.18 2.25 3.38 -0.85 0.13 115.31 118.79 1wws h LEU 107 Ca 0.02 0.20 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1wws h LEU 107 Cb 1.10 0.46 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 1wws h LEU 107 CO 0.11 -0.25 0.05 1.55 0.09 0.00 0.00 178.44 179.99 1wws h PRO 108 N -0.08 0.62 -0.51 1.13 0.13 -1.73 -0.54 132.00 131.02 1wws h PRO 108 Ca 0.27 -0.13 -0.09 0.00 -0.87 0.00 0.00 66.00 65.19 1wws h PRO 108 Cb 0.51 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.52 1wws h PRO 108 CO -0.65 0.61 -0.04 0.93 -0.23 0.00 0.00 178.00 178.61 1wws h GLU 109 N 0.60 0.88 -0.71 0.86 5.08 -1.22 -1.28 114.58 118.79 1wws h GLU 109 Ca 0.13 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1wws h GLU 109 Cb 0.30 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1wws h GLU 109 CO 0.00 0.90 0.17 -0.07 -1.00 0.00 0.00 179.01 179.02 1wws h LEU 110 N 0.81 1.09 -0.74 1.33 3.38 -0.29 0.14 115.31 121.03 1wws h LEU 110 Ca 0.15 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1wws h LEU 110 Cb 0.54 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1wws h LEU 110 CO 0.03 1.04 0.48 0.00 0.09 0.00 0.00 178.44 180.08 1wws h ALA 111 N 1.09 0.95 -0.34 1.53 0.00 -0.51 0.19 119.26 122.16 1wws h ALA 111 Ca 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1wws h ALA 111 Cb 0.38 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1wws h ALA 111 CO 0.00 0.31 0.09 0.78 0.00 0.00 0.00 179.25 180.44 1wws h GLY 112 N 0.96 0.58 1.15 0.00 0.00 -0.62 -1.94 103.07 103.20 1wws h GLY 112 Ca 0.28 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1wws h GLY 112 CO -0.08 0.33 0.53 0.00 0.00 0.00 0.00 176.54 177.31 1wws h ALA 113 N 0.93 1.34 -0.63 3.60 0.00 -0.11 -0.01 119.26 124.37 1wws h ALA 113 Ca 0.11 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1wws h ALA 113 Cb 0.28 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1wws h ALA 113 CO -0.00 0.58 0.13 -0.07 0.00 0.00 0.00 179.25 179.90 1wws h LEU 114 N 1.16 0.98 -0.42 0.00 3.38 -0.41 0.12 115.31 120.13 1wws h LEU 114 Ca 0.31 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1wws h LEU 114 Cb -0.08 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 1wws h LEU 114 CO -0.06 0.97 -0.06 0.58 0.09 0.00 0.00 178.44 179.97 1wws h VAL 115 N 0.95 1.27 -0.43 1.22 2.07 -0.79 -0.05 116.25 120.48 1wws h VAL 115 Ca 0.20 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1wws h VAL 115 Cb 0.39 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1wws h VAL 115 CO 0.01 0.38 0.26 0.58 0.02 0.00 0.00 177.57 178.81 1wws h VAL 116 N 0.60 1.14 -0.56 2.57 2.07 -0.74 0.13 116.25 121.47 1wws h VAL 116 Ca 0.11 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1wws h VAL 116 Cb 0.57 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1wws h VAL 116 CO 0.03 0.14 0.25 0.00 0.02 0.00 0.00 177.57 178.02 1wws h ALA 117 N 1.11 0.72 -0.38 1.67 0.00 -0.61 -1.60 119.26 120.17 1wws h ALA 117 Ca 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1wws h ALA 117 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1wws h ALA 117 CO -0.03 0.30 0.19 -0.92 0.00 0.00 0.00 179.25 178.80 1wws h TYR 118 N 0.75 0.53 -0.55 0.00 5.03 -0.58 -0.03 116.97 122.13 1wws h TYR 118 Ca 0.19 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.48 1wws h TYR 118 Cb 0.15 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.24 1wws h TYR 118 CO 0.00 0.43 0.35 0.00 -1.32 0.00 0.00 178.16 177.62 1wws h ALA 119 N 1.05 0.70 -0.01 1.82 0.00 -0.58 -1.83 119.26 120.40 1wws h ALA 119 Ca 0.13 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1wws h ALA 119 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1wws h ALA 119 CO -0.02 0.16 -0.44 0.00 0.00 0.00 0.00 179.25 178.94 1wws h ARG 120 N 0.74 0.03 -0.46 0.00 3.08 -1.03 -1.92 114.38 114.81 1wws h ARG 120 Ca 0.20 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.15 1wws h ARG 120 Cb -0.05 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1wws h ARG 120 CO -0.04 0.47 -0.03 0.28 -1.07 0.00 0.00 179.97 179.58 1wws h VAL 121 N 0.03 1.27 -0.87 2.04 2.07 -0.61 -0.53 116.25 119.65 1wws h VAL 121 Ca -0.00 -1.11 0.04 0.00 0.82 0.00 0.00 66.70 66.44 1wws h VAL 121 Cb 0.80 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 1wws h VAL 121 CO 0.06 0.38 0.57 -0.07 0.02 0.00 0.00 177.57 178.53 1wws h LEU 122 N 0.69 0.92 -0.59 2.57 3.38 -0.87 -0.51 115.31 120.89 1wws h LEU 122 Ca 0.13 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1wws h LEU 122 Cb 0.55 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1wws h LEU 122 CO 0.03 0.63 -0.39 0.50 0.09 0.00 0.00 178.44 179.30 1wws h LYS 123 N 1.07 0.68 -0.32 1.13 3.64 -0.89 -1.71 116.57 120.16 1wws h LYS 123 Ca 0.35 -0.35 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1wws h LYS 123 Cb 0.05 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1wws h LYS 123 CO -0.11 0.95 -0.29 0.93 -2.27 0.00 0.00 179.45 178.66 1wws h GLU 124 N 0.56 0.67 -0.01 1.90 4.39 -0.25 -1.39 114.58 120.45 1wws h GLU 124 Ca 0.05 -0.29 -0.10 0.00 0.34 0.00 0.00 59.36 59.36 1wws h GLU 124 Cb 0.92 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1wws h GLU 124 CO 0.08 0.89 -0.46 -0.07 -1.16 0.00 0.00 179.01 178.29 1wws h LEU 125 N 0.58 0.03 -6.15 1.33 3.38 -0.91 -3.38 115.31 110.18 1wws h LEU 125 Ca 0.07 -0.01 -0.42 0.00 0.09 0.00 0.00 57.88 57.61 1wws h LEU 125 Cb 0.79 -0.01 -0.31 0.00 0.09 0.00 0.00 40.66 41.22 1wws h LEU 125 CO 0.06 0.48 -0.75 -1.81 0.09 0.00 0.00 178.44 176.51 1wws s ASP 126 N -6.90 0.93 0.36 -0.43 1.11 -0.66 -5.04 116.67 106.04 1wws s ASP 126 Ca -0.02 -2.11 0.18 0.00 0.18 0.00 0.00 52.55 50.78 1wws s ASP 126 Cb 0.14 0.41 1.20 0.00 1.07 0.00 0.00 42.92 45.74 1wws s ASP 126 CO 0.74 -0.20 1.64 -0.65 1.18 0.00 0.00 175.17 177.88 1wws h PRO 127 N 6.28 0.20 -0.04 8.23 0.11 -1.45 0.59 132.00 145.91 1wws h PRO 127 Ca 0.12 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1wws h PRO 127 Cb 1.01 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1wws h PRO 127 CO 0.22 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.14 1wws n ALA 128 N -2.31 2.53 -1.59 -0.75 0.00 -1.26 -4.99 120.51 112.15 1wws n ALA 128 Ca 0.34 -0.54 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 1wws n ALA 128 Cb 1.12 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1wws n ALA 128 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1wws n LEU 129 N 0.59 2.04 0.00 0.00 7.94 0.20 -4.92 117.00 122.84 1wws n LEU 129 Ca 0.17 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 56.15 1wws n LEU 129 Cb 0.44 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.08 1wws n LEU 129 CO 0.16 -1.60 -0.12 0.29 -1.11 0.00 0.00 177.39 175.01 1wws n LYS 130 N 0.41 0.00 -3.72 1.96 5.02 -1.26 -4.86 118.16 115.71 1wws n LYS 130 Ca 0.10 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.10 1wws n LYS 130 Cb 0.37 -0.60 -0.12 0.00 -0.02 0.00 0.00 35.03 34.65 1wws n LYS 130 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1wws s ASN 131 N -3.30 3.57 0.55 4.39 0.01 -1.26 -1.34 114.94 117.56 1wws s ASN 131 Ca 0.00 -3.19 -0.20 0.00 -0.71 0.00 0.00 52.86 48.76 1wws s ASN 131 Cb 0.00 -1.14 -0.05 0.00 0.41 0.00 0.00 41.25 40.47 1wws s ASN 131 CO 0.00 -0.18 1.21 -2.16 -1.51 0.00 0.00 177.10 174.46 1wws s PRO 132 N -0.39 3.22 0.32 -0.60 0.04 -1.25 -5.02 135.00 131.31 1wws s PRO 132 Ca 0.24 1.83 0.01 0.00 0.04 0.00 0.00 61.00 63.13 1wws s PRO 132 Cb -0.11 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1wws s PRO 132 CO -0.11 -1.01 0.05 0.00 0.04 0.00 0.00 177.00 175.97 1wws n GLN 133 N -1.24 0.91 -0.31 4.56 10.64 -1.26 -4.35 117.38 126.33 1wws n GLN 133 Ca 0.12 -2.50 -0.03 0.00 -1.83 0.00 0.00 57.00 52.75 1wws n GLN 133 Cb 0.49 1.01 -0.00 0.00 -0.86 0.00 0.00 30.24 30.87 1wws n GLN 133 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1wws n THR 134 N -0.76 -0.45 -0.13 -0.39 -1.04 -1.26 -0.75 114.28 109.49 1wws n THR 134 Ca -0.09 1.87 0.08 0.00 -2.04 0.00 0.00 64.05 63.86 1wws n THR 134 Cb 0.44 -2.41 0.41 0.00 -1.82 0.00 0.00 70.33 66.94 1wws n THR 134 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1wws h GLU 135 N 0.00 0.61 -0.55 -2.82 3.07 -2.00 -1.35 114.58 111.54 1wws h GLU 135 Ca 0.23 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.96 1wws h GLU 135 Cb 0.42 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 1wws h GLU 135 CO -0.77 0.40 -0.02 0.45 -1.40 0.00 0.00 179.01 177.68 1wws h HIS 136 N 0.63 1.08 -0.59 4.33 3.86 -1.33 -2.70 115.15 120.43 1wws h HIS 136 Ca 0.28 -0.19 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 1wws h HIS 136 Cb 0.31 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 1wws h HIS 136 CO -0.00 0.98 0.15 0.45 0.86 0.00 0.00 177.93 180.37 1wws h HIS 137 N 0.87 0.99 -0.89 2.45 3.86 -1.10 -0.24 115.15 121.09 1wws h HIS 137 Ca 0.15 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1wws h HIS 137 Cb 0.56 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.71 1wws h HIS 137 CO 0.04 0.84 0.49 0.93 0.86 0.00 0.00 177.93 181.10 1wws h GLU 138 N 0.86 1.24 -0.35 2.45 5.08 -1.21 -0.61 114.58 122.03 1wws h GLU 138 Ca 0.19 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 1wws h GLU 138 Cb 0.35 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1wws h GLU 138 CO 0.00 0.90 -0.32 -0.09 -1.00 0.00 0.00 179.01 178.50 1wws h ARG 139 N 1.24 0.84 -0.85 2.33 2.43 -1.22 -2.47 114.38 116.69 1wws h ARG 139 Ca 0.31 -0.43 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1wws h ARG 139 Cb 0.02 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1wws h ARG 139 CO -0.05 1.07 0.50 0.00 -1.51 0.00 0.00 179.97 179.98 1wws h ALA 140 N 0.75 1.08 -0.77 2.80 0.00 -0.64 -2.02 119.26 120.47 1wws h ALA 140 Ca 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1wws h ALA 140 Cb 0.90 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1wws h ALA 140 CO 0.08 0.56 0.31 0.93 0.00 0.00 0.00 179.25 181.13 1wws h GLU 141 N 1.17 1.13 -0.72 0.00 5.08 -1.02 -0.99 114.58 119.24 1wws h GLU 141 Ca 0.30 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1wws h GLU 141 Cb -0.02 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1wws h GLU 141 CO -0.05 0.91 0.37 0.00 -1.00 0.00 0.00 179.01 179.24 1wws h ARG 142 N 1.11 1.01 -0.07 2.33 3.08 -0.92 -0.03 114.38 120.89 1wws h ARG 142 Ca 0.26 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1wws h ARG 142 Cb 0.20 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1wws h ARG 142 CO -0.02 0.77 0.02 0.28 -1.07 0.00 0.00 179.97 179.95 1wws h VAL 143 N 0.99 1.18 -0.70 2.04 2.07 -0.94 -3.06 116.25 117.84 1wws h VAL 143 Ca 0.25 -0.56 0.06 0.00 0.82 0.00 0.00 66.70 67.28 1wws h VAL 143 Cb 0.07 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 1wws h VAL 143 CO -0.04 0.16 0.39 -0.26 0.02 0.00 0.00 177.57 177.84 1wws h PHE 144 N -0.10 0.71 -0.08 1.57 0.05 -0.95 -1.98 116.94 116.17 1wws h PHE 144 Ca 0.02 0.03 0.02 0.00 3.82 0.00 0.00 57.97 61.86 1wws h PHE 144 Cb 0.23 -0.22 -0.00 0.00 2.00 0.00 0.00 35.95 37.96 1wws h PHE 144 CO 0.00 0.33 0.21 -0.91 -0.18 0.00 0.00 178.31 177.76 1wws h ASN 145 N 0.71 0.00 0.60 2.17 -0.26 -0.90 0.84 115.58 118.75 1wws h ASN 145 Ca 0.31 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.89 1wws h ASN 145 Cb 0.21 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.45 1wws h ASN 145 CO -0.19 0.00 -0.76 -0.07 -1.06 0.00 0.00 177.43 175.35 1wws h LEU 146 N 0.00 0.15 0.00 1.61 3.38 -1.32 -3.38 115.31 115.75 1wws h LEU 146 Ca 0.04 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1wws h LEU 146 Cb 0.45 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1wws h LEU 146 CO -0.00 0.85 -0.51 0.18 0.09 0.00 0.00 178.44 179.05 1wws n LEU 147 N -3.71 0.00 0.00 1.67 4.77 -0.67 -5.16 117.00 113.90 1wws n LEU 147 Ca -0.02 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1wws n LEU 147 Cb 0.73 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1wws n LEU 147 CO 0.45 0.00 0.10 -0.11 -1.33 0.00 0.00 177.39 176.50