#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 3.51 0.14 3.23 1.02 -1.26 -3.78 119.74 122.60 1wws s LYS 4 Ca 0.00 0.14 -0.19 0.00 0.02 0.00 0.00 55.97 55.93 1wws s LYS 4 Cb 0.00 -2.40 0.02 0.00 -0.52 0.00 0.00 37.83 34.93 1wws s LYS 4 CO 0.00 -0.19 1.68 0.28 -0.92 0.00 0.00 175.35 176.20 1wws h VAL 5 N 0.26 0.67 -0.91 3.17 2.07 -2.03 -1.59 116.25 117.89 1wws h VAL 5 Ca -0.47 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.18 1wws h VAL 5 Cb 1.21 0.67 -0.09 0.00 -1.52 0.00 0.00 31.29 31.56 1wws h VAL 5 CO 0.62 0.00 0.53 0.00 0.02 0.00 0.00 177.57 178.74 1wws h ALA 6 N 1.21 1.39 -0.46 1.67 0.00 -2.03 -1.41 119.26 119.62 1wws h ALA 6 Ca 0.13 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1wws h ALA 6 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1wws h ALA 6 CO -0.30 0.06 -0.24 0.93 0.00 0.00 0.00 179.25 179.70 1wws h GLU 7 N 0.80 0.98 -0.03 0.00 5.08 -1.79 -0.16 114.58 119.46 1wws h GLU 7 Ca 0.48 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1wws h GLU 7 Cb 0.57 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1wws h GLU 7 CO -0.31 1.11 0.02 0.74 -1.00 0.00 0.00 179.01 179.57 1wws h PHE 8 N 0.83 0.05 -0.51 4.33 0.04 -0.52 -1.65 116.94 119.51 1wws h PHE 8 Ca 0.10 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.83 1wws h PHE 8 Cb 0.82 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 1wws h PHE 8 CO 0.06 0.07 0.14 0.93 -0.60 0.00 0.00 178.31 178.90 1wws h GLU 9 N 0.01 0.76 -0.45 1.51 5.08 -1.22 0.85 114.58 121.12 1wws h GLU 9 Ca 0.01 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1wws h GLU 9 Cb 0.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1wws h GLU 9 CO -0.00 0.67 0.13 -0.09 -1.00 0.00 0.00 179.01 178.72 1wws h ARG 10 N 0.74 0.71 -0.09 2.33 2.43 -0.71 -1.65 114.38 118.13 1wws h ARG 10 Ca 0.17 -0.16 -0.20 0.00 -0.81 0.00 0.00 59.98 58.98 1wws h ARG 10 Cb 0.24 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1wws h ARG 10 CO -0.01 0.69 -0.71 -0.07 -1.51 0.00 0.00 179.97 178.36 1wws h LEU 11 N 0.59 0.79 -2.27 3.80 3.38 -1.04 -1.45 115.31 119.11 1wws h LEU 11 Ca 0.14 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1wws h LEU 11 Cb 0.29 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1wws h LEU 11 CO -0.00 1.33 -0.03 -0.26 0.09 0.00 0.00 178.44 179.57 1wws h PHE 12 N 0.30 0.00 0.00 1.13 0.04 -0.80 0.24 116.94 117.85 1wws h PHE 12 Ca -0.06 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.64 1wws h PHE 12 Cb 1.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.50 1wws h PHE 12 CO 0.11 0.03 -0.39 -0.09 -0.60 0.00 0.00 178.31 177.37 1wws h ARG 13 N 0.00 0.00 -0.25 1.51 2.43 -1.20 0.55 114.38 117.42 1wws h ARG 13 Ca -0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 1wws h ARG 13 Cb 0.09 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1wws h ARG 13 CO 0.00 0.98 -0.33 1.96 -1.51 0.00 0.00 179.97 181.08 1wws h GLN 14 N -1.00 0.54 -0.36 0.20 4.20 -1.02 0.55 115.11 118.22 1wws h GLN 14 Ca -0.11 -0.24 -0.14 0.00 0.06 0.00 0.00 58.65 58.22 1wws h GLN 14 Cb 1.08 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 1wws h GLN 14 CO -0.07 0.80 -0.34 0.00 -0.67 0.00 0.00 178.83 178.55 1wws h ALA 15 N 1.19 0.52 0.00 3.87 0.00 -0.70 -3.41 119.26 120.73 1wws h ALA 15 Ca 0.05 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1wws h ALA 15 Cb 0.79 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1wws h ALA 15 CO 0.06 0.59 -0.11 0.00 0.00 0.00 0.00 179.25 179.79 1wws n ALA 16 N -2.52 1.75 -3.61 0.00 0.00 -1.22 -4.70 120.51 110.21 1wws n ALA 16 Ca -0.03 -0.25 -0.23 0.00 0.00 0.00 0.00 53.44 52.93 1wws n ALA 16 Cb 0.51 -0.11 0.07 0.00 0.00 0.00 0.00 19.45 19.93 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 3.79 0.00 0.00 0.19 -4.95 105.19 103.73 1wws n GLY 17 Ca 0.00 0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 -7.10 3.84 -0.14 0.99 1.43 0.18 -4.85 118.68 113.02 1wws s LEU 18 Ca 0.46 -0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.50 1wws s LEU 18 Cb -0.21 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 1wws s LEU 18 CO 0.74 0.14 -0.02 -0.62 0.23 0.00 0.00 176.35 176.82 1wws s ASP 19 N -2.61 4.96 0.09 2.29 3.68 -0.58 -3.51 116.67 120.99 1wws s ASP 19 Ca 0.30 -0.05 0.10 0.00 2.13 0.00 0.00 52.55 55.03 1wws s ASP 19 Cb -0.12 -1.71 -0.03 0.00 -1.45 0.00 0.00 42.92 39.61 1wws s ASP 19 CO 0.23 0.22 -0.27 -0.69 0.13 0.00 0.00 175.17 174.79 1wws s VAL 20 N 0.07 2.20 0.35 1.11 1.01 -1.26 -3.93 120.40 119.95 1wws s VAL 20 Ca 0.01 -1.59 0.04 0.00 0.00 0.00 0.00 61.98 60.44 1wws s VAL 20 Cb -0.13 -1.92 0.06 0.00 0.00 0.00 0.00 36.38 34.39 1wws s VAL 20 CO 0.02 0.21 0.49 0.47 0.00 0.00 0.00 175.10 176.29 1wws n ASP 21 N 1.30 1.11 0.08 3.32 8.00 -1.26 -5.00 116.55 124.09 1wws n ASP 21 Ca -0.18 -1.83 -0.07 0.00 0.71 0.00 0.00 54.79 53.43 1wws n ASP 21 Cb 0.53 -0.27 -0.07 0.00 -0.02 0.00 0.00 41.12 41.28 1wws n ASP 21 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1wws h LYS 22 N 0.00 0.03 -0.30 -1.24 1.57 -2.01 -3.04 116.57 111.59 1wws h LYS 22 Ca -0.16 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1wws h LYS 22 Cb 0.71 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1wws h LYS 22 CO 0.22 0.95 0.05 -0.91 -0.57 0.00 0.00 179.45 179.20 1wws h ASN 23 N 0.01 0.46 -0.81 0.86 4.21 -2.01 -2.81 115.58 115.49 1wws h ASN 23 Ca -0.02 -0.25 -0.01 0.00 1.21 0.00 0.00 56.30 57.23 1wws h ASN 23 Cb 1.67 -0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 38.70 1wws h ASN 23 CO 0.13 0.60 0.47 0.44 -1.29 0.00 0.00 177.43 177.78 1wws h ASP 24 N 0.31 0.99 -0.09 5.81 3.32 -1.94 -3.18 116.42 121.64 1wws h ASP 24 Ca 0.09 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1wws h ASP 24 Cb 0.33 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1wws h ASP 24 CO 0.00 0.78 0.04 -0.07 -1.72 0.00 0.00 179.24 178.28 1wws h LEU 25 N 1.12 0.11 -0.69 1.55 3.38 -1.40 0.19 115.31 119.57 1wws h LEU 25 Ca 0.29 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.21 1wws h LEU 25 Cb -0.01 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1wws h LEU 25 CO -0.05 0.19 0.39 0.50 0.09 0.00 0.00 178.44 179.56 1wws h LYS 26 N 0.03 0.70 -0.13 1.13 3.11 -1.49 0.59 116.57 120.50 1wws h LYS 26 Ca 0.03 -0.04 -0.22 0.00 -2.81 0.00 0.00 60.65 57.61 1wws h LYS 26 Cb 0.11 -0.16 0.01 0.00 -1.00 0.00 0.00 32.23 31.19 1wws h LYS 26 CO -0.00 0.46 -0.77 0.07 -2.81 0.00 0.00 179.45 176.39 1wws h ARG 27 N 0.72 0.76 -0.41 1.90 0.11 -1.54 -2.53 114.38 113.38 1wws h ARG 27 Ca 0.31 -0.64 -0.02 0.00 0.10 0.00 0.00 59.98 59.73 1wws h ARG 27 Cb 0.19 0.14 -0.02 0.00 1.11 0.00 0.00 29.97 31.39 1wws h ARG 27 CO -0.18 1.25 0.17 0.28 0.10 0.00 0.00 179.97 181.58 1wws h VAL 28 N 0.48 1.20 0.12 0.08 2.07 -0.43 0.14 116.25 119.91 1wws h VAL 28 Ca -0.06 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1wws h VAL 28 Cb 1.41 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1wws h VAL 28 CO 0.16 0.22 -0.06 -1.28 0.02 0.00 0.00 177.57 176.63 1wws h SER 29 N 0.53 -0.13 -0.40 0.57 0.87 0.12 -0.28 113.55 114.83 1wws h SER 29 Ca 0.14 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 1wws h SER 29 Cb 0.18 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1wws h SER 29 CO -0.01 0.01 0.11 0.44 -0.53 0.00 0.00 176.83 176.84 1wws h ASP 30 N -0.27 0.66 0.06 6.23 3.45 -1.41 0.33 116.42 125.48 1wws h ASP 30 Ca -0.02 -0.11 -0.00 0.00 0.43 0.00 0.00 57.03 57.33 1wws h ASP 30 Cb 0.22 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 1wws h ASP 30 CO 0.03 0.67 -0.03 0.15 -1.57 0.00 0.00 179.24 178.48 1wws h PHE 31 N 0.69 -0.08 -0.11 4.55 3.57 -0.75 -2.08 116.94 122.74 1wws h PHE 31 Ca 0.16 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.54 1wws h PHE 31 Cb 0.27 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1wws h PHE 31 CO 0.01 0.21 -0.43 -0.07 -2.23 0.00 0.00 178.31 175.81 1wws h LEU 32 N -0.37 0.25 -0.92 0.59 3.38 -0.88 -2.48 115.31 114.88 1wws h LEU 32 Ca -0.01 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1wws h LEU 32 Cb 0.32 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1wws h LEU 32 CO 0.01 0.65 0.60 -0.09 0.09 0.00 0.00 178.44 179.71 1wws h ARG 33 N 0.20 1.16 -0.38 1.13 2.43 -0.24 0.10 114.38 118.78 1wws h ARG 33 Ca 0.02 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 58.98 1wws h ARG 33 Cb 0.84 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1wws h ARG 33 CO 0.07 0.77 -0.31 -0.91 -1.51 0.00 0.00 179.97 178.08 1wws h ASN 34 N 1.20 0.88 -0.67 -3.80 2.35 -1.05 -0.99 115.58 113.50 1wws h ASN 34 Ca 0.36 -0.36 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 1wws h ASN 34 Cb -0.06 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.04 1wws h ASN 34 CO -0.10 1.12 0.19 0.11 -1.65 0.00 0.00 177.43 177.09 1wws h LYS 35 N 0.71 1.05 -0.37 0.81 1.79 -0.93 0.74 116.57 120.37 1wws h LYS 35 Ca 0.08 -0.24 -0.10 0.00 -2.18 0.00 0.00 60.65 58.21 1wws h LYS 35 Cb 0.86 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.35 1wws h LYS 35 CO 0.08 0.93 -0.17 1.25 -1.08 0.00 0.00 179.45 180.46 1wws h LEU 36 N 0.98 0.68 -0.42 2.94 5.85 -0.63 -1.62 115.31 123.10 1wws h LEU 36 Ca 0.21 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1wws h LEU 36 Cb 0.33 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1wws h LEU 36 CO -0.00 0.86 -0.06 0.22 -0.34 0.00 0.00 178.44 179.12 1wws h TYR 37 N 0.62 0.87 -0.32 1.25 3.20 -0.77 -2.74 116.97 119.08 1wws h TYR 37 Ca 0.10 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 1wws h TYR 37 Cb 0.63 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 1wws h TYR 37 CO 0.03 0.88 0.15 -0.44 -1.64 0.00 0.00 178.16 177.13 1wws h ASP 38 N 0.62 0.39 -0.24 -2.11 3.32 -0.48 0.33 116.42 118.25 1wws h ASP 38 Ca 0.11 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1wws h ASP 38 Cb 0.57 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1wws h ASP 38 CO 0.03 0.34 0.11 -0.07 -1.72 0.00 0.00 179.24 177.94 1wws h LEU 39 N 0.44 0.32 -0.93 1.55 3.38 -1.04 -1.40 115.31 117.63 1wws h LEU 39 Ca 0.11 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1wws h LEU 39 Cb 0.06 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1wws h LEU 39 CO -0.01 0.37 -0.12 -0.07 0.09 0.00 0.00 178.44 178.69 1wws h LEU 40 N 0.25 0.63 -0.71 1.67 3.38 -1.02 0.14 115.31 119.65 1wws h LEU 40 Ca 0.08 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1wws h LEU 40 Cb 0.14 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1wws h LEU 40 CO -0.01 0.78 0.24 0.00 0.09 0.00 0.00 178.44 179.55 1wws h ALA 41 N 1.28 0.93 -0.33 1.53 0.00 -0.13 0.30 119.26 122.83 1wws h ALA 41 Ca 0.10 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1wws h ALA 41 Cb 0.55 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1wws h ALA 41 CO 0.03 0.58 -0.33 0.28 0.00 0.00 0.00 179.25 179.82 1wws h VAL 42 N 1.03 1.29 -0.55 0.00 2.07 -0.89 -3.13 116.25 116.07 1wws h VAL 42 Ca 0.23 -1.50 0.06 0.00 0.82 0.00 0.00 66.70 66.31 1wws h VAL 42 Cb 0.27 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1wws h VAL 42 CO -0.01 0.49 0.25 0.00 0.02 0.00 0.00 177.57 178.32 1wws h ALA 43 N 0.73 0.71 -0.93 1.67 0.00 -0.22 -1.37 119.26 119.85 1wws h ALA 43 Ca 0.05 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.12 1wws h ALA 43 Cb 0.91 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 1wws h ALA 43 CO 0.08 -0.12 0.56 1.49 0.00 0.00 0.00 179.25 181.26 1wws h GLU 44 N 0.47 0.88 -0.55 0.00 4.81 -0.91 0.28 114.58 119.56 1wws h GLU 44 Ca 0.26 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1wws h GLU 44 Cb 0.22 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1wws h GLU 44 CO -0.21 0.58 0.18 -0.09 -0.73 0.00 0.00 179.01 178.74 1wws h ARG 45 N 0.91 0.85 -0.20 1.92 2.43 -1.24 -2.00 114.38 117.05 1wws h ARG 45 Ca 0.46 -0.18 -0.13 0.00 -0.81 0.00 0.00 59.98 59.32 1wws h ARG 45 Cb 0.44 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1wws h ARG 45 CO -0.26 0.77 -0.41 -0.91 -1.51 0.00 0.00 179.97 177.65 1wws h ASN 46 N 0.77 0.49 -0.22 -3.80 2.35 -0.32 -1.56 115.58 113.30 1wws h ASN 46 Ca 0.18 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1wws h ASN 46 Cb 0.27 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1wws h ASN 46 CO -0.01 0.85 0.11 0.00 -1.65 0.00 0.00 177.43 176.74 1wws h ALA 47 N 1.17 0.28 -0.41 -0.83 0.00 -0.26 -2.09 119.26 117.13 1wws h ALA 47 Ca 0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1wws h ALA 47 Cb 0.89 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1wws h ALA 47 CO 0.08 -0.18 -0.01 0.87 0.00 0.00 0.00 179.25 180.01 1wws h LYS 48 N 0.23 0.65 -0.44 0.00 1.57 -1.25 -0.55 116.57 116.79 1wws h LYS 48 Ca 0.08 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1wws h LYS 48 Cb 0.09 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1wws h LYS 48 CO -0.01 0.68 0.22 -0.92 -0.57 0.00 0.00 179.45 178.84 1wws h TYR 49 N 0.62 0.60 -0.36 -1.35 5.03 -0.92 -1.76 116.97 118.82 1wws h TYR 49 Ca 0.13 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.43 1wws h TYR 49 Cb 0.40 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.49 1wws h TYR 49 CO 0.02 0.44 0.00 0.09 -1.32 0.00 0.00 178.16 177.39 1wws n ASN 50 N -4.40 2.54 -1.15 -2.11 3.02 -0.78 -4.91 115.26 107.46 1wws n ASN 50 Ca 0.03 -2.16 -0.11 0.00 -0.03 0.00 0.00 54.58 52.32 1wws n ASN 50 Cb 0.12 -0.37 -0.01 0.00 -0.61 0.00 0.00 39.78 38.90 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 0.86 0.21 3.63 7.41 0.00 -0.66 -5.02 105.19 111.62 1wws n GLY 51 Ca 0.14 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.18 2.31 0.00 1.61 0.52 -0.28 -5.00 118.95 113.92 1wws s ARG 52 Ca 0.00 -1.00 0.16 0.00 -0.52 0.00 0.00 55.73 54.37 1wws s ARG 52 Cb 0.00 -2.38 0.44 0.00 0.52 0.00 0.00 34.95 33.53 1wws s ARG 52 CO 0.00 0.50 1.36 -3.47 0.02 0.00 0.00 175.30 173.72 1wws n ASP 53 N 0.45 3.34 -3.99 0.23 2.03 -1.26 -3.84 116.55 113.51 1wws n ASP 53 Ca -0.12 -1.99 -0.15 0.00 0.52 0.00 0.00 54.79 53.05 1wws n ASP 53 Cb 0.53 -0.33 -0.14 0.00 -0.72 0.00 0.00 41.12 40.46 1wws n ASP 53 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wws s LEU 54 N -1.01 2.08 -0.21 -2.67 1.43 -1.26 -4.23 118.68 112.81 1wws s LEU 54 Ca 0.34 -0.22 -0.20 0.00 -1.03 0.00 0.00 54.13 53.01 1wws s LEU 54 Cb 0.18 -0.24 -0.03 0.00 0.03 0.00 0.00 46.19 46.13 1wws s LEU 54 CO 0.23 -0.01 0.59 -0.63 0.23 0.00 0.00 176.35 176.76 1wws s ILE 55 N -0.48 5.04 0.37 -0.59 1.01 -0.60 -4.85 121.20 121.10 1wws s ILE 55 Ca -0.01 1.10 0.08 0.00 0.00 0.00 0.00 60.65 61.82 1wws s ILE 55 Cb -0.04 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1wws s ILE 55 CO -0.00 0.12 0.14 -0.36 0.00 0.00 0.00 174.94 174.84 1wws s PHE 56 N 1.94 2.64 0.18 3.97 0.08 -1.26 -0.13 117.98 125.40 1wws s PHE 56 Ca 0.27 -0.48 -0.17 0.00 0.12 0.00 0.00 56.93 56.67 1wws s PHE 56 Cb -0.16 -1.77 0.14 0.00 -0.57 0.00 0.00 43.02 40.67 1wws s PHE 56 CO 0.10 0.28 1.64 1.49 -0.10 0.00 0.00 175.22 178.63 1wws h GLU 57 N 1.52 -0.05 -0.01 0.44 4.81 -1.96 -0.89 114.58 118.44 1wws h GLU 57 Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1wws h GLU 57 Cb 1.25 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1wws h GLU 57 CO 0.67 -0.03 0.17 -1.35 -0.73 0.00 0.00 179.01 177.74 1wws h PRO 58 N -0.05 0.00 -0.03 0.92 0.11 -2.02 -0.72 132.00 130.22 1wws h PRO 58 Ca 0.23 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.23 1wws h PRO 58 Cb 0.40 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1wws h PRO 58 CO -0.52 0.00 -0.49 -0.44 -0.21 0.00 0.00 178.00 176.34 1wws h ASP 59 N 0.00 0.07 -3.27 -2.05 3.32 -1.49 -3.44 116.42 109.56 1wws h ASP 59 Ca 0.01 -0.03 -0.53 0.00 0.02 0.00 0.00 57.03 56.50 1wws h ASP 59 Cb 0.35 -0.02 0.02 0.00 0.22 0.00 0.00 39.33 39.90 1wws h ASP 59 CO -0.00 0.55 0.61 -0.76 -1.72 0.00 0.00 179.24 177.92 1wws s LEU 60 N -7.97 4.40 -1.10 1.55 1.02 -0.28 -3.80 118.68 112.50 1wws s LEU 60 Ca -0.03 2.22 -0.19 0.00 0.02 0.00 0.00 54.13 56.16 1wws s LEU 60 Cb 0.13 -3.59 -0.06 0.00 0.02 0.00 0.00 46.19 42.69 1wws s LEU 60 CO 0.75 -0.49 2.03 -0.81 0.02 0.00 0.00 176.35 177.85 1wws n PRO 61 N 3.28 2.15 -3.37 1.29 -0.04 -1.26 -4.86 135.00 132.18 1wws n PRO 61 Ca 0.08 -2.28 -0.44 0.00 -0.04 0.00 0.00 63.50 60.81 1wws n PRO 61 Cb 0.44 -3.16 -0.08 0.00 -0.04 0.00 0.00 33.50 30.67 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 4.67 5.21 0.76 0.52 1.01 -1.26 -5.06 121.20 127.06 1wws s ILE 62 Ca 0.54 -1.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.06 1wws s ILE 62 Cb 0.13 -4.14 0.05 0.00 0.01 0.00 0.00 42.46 38.51 1wws s ILE 62 CO 0.04 -0.59 1.08 0.00 0.00 0.00 0.00 174.94 175.46 1wws s ALA 63 N 1.71 2.32 0.22 9.38 0.00 -1.26 -4.77 121.76 129.36 1wws s ALA 63 Ca 0.05 0.07 -0.08 0.00 0.00 0.00 0.00 51.96 52.00 1wws s ALA 63 Cb -0.24 -3.20 0.36 0.00 0.00 0.00 0.00 23.12 20.05 1wws s ALA 63 CO 0.07 -1.64 1.70 -0.22 0.00 0.00 0.00 175.76 175.67 1wws h LYS 64 N -1.02 0.26 -0.52 0.00 3.64 -1.98 -0.06 116.57 116.89 1wws h LYS 64 Ca -0.45 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 58.98 1wws h LYS 64 Cb 1.24 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 1wws h LYS 64 CO 0.55 0.17 0.21 0.78 -2.27 0.00 0.00 179.45 178.89 1wws h GLY 65 N 0.27 0.71 1.68 5.01 0.00 -1.99 0.11 103.07 108.85 1wws h GLY 65 Ca 0.36 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.46 1wws h GLY 65 CO -0.45 0.04 -0.32 -2.00 0.00 0.00 0.00 176.54 173.81 1wws h LEU 66 N 0.41 0.38 -0.94 3.11 5.85 -1.69 -2.04 115.31 120.39 1wws h LEU 66 Ca 0.24 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1wws h LEU 66 Cb 0.24 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1wws h LEU 66 CO -0.23 0.68 0.40 -0.61 -0.34 0.00 0.00 178.44 178.35 1wws h GLN 67 N 0.32 1.16 -0.13 1.25 5.75 0.44 -0.74 115.11 123.17 1wws h GLN 67 Ca 0.04 -0.16 -0.11 0.00 -0.15 0.00 0.00 58.65 58.27 1wws h GLN 67 Cb 0.72 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 1wws h GLN 67 CO 0.06 0.88 -0.42 0.93 -2.65 0.00 0.00 178.83 177.63 1wws h GLU 68 N 1.16 0.29 -0.05 1.69 5.08 -0.41 -2.43 114.58 119.90 1wws h GLU 68 Ca 0.28 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 1wws h GLU 68 Cb 0.09 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1wws h GLU 68 CO -0.04 0.66 -0.43 1.15 -1.00 0.00 0.00 179.01 179.36 1wws h THR 69 N 0.24 1.32 -0.48 1.13 2.02 -0.64 -1.76 112.91 114.73 1wws h THR 69 Ca 0.02 -1.53 -0.09 0.00 0.77 0.00 0.00 66.41 65.59 1wws h THR 69 Cb 0.85 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 1wws h THR 69 CO 0.07 0.45 -0.06 0.25 0.37 0.00 0.00 175.52 176.59 1wws h LEU 70 N 0.10 0.83 -0.67 2.58 5.85 -0.70 -1.50 115.31 121.80 1wws h LEU 70 Ca 0.01 -0.24 -0.13 0.00 0.84 0.00 0.00 57.88 58.37 1wws h LEU 70 Cb 0.80 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1wws h LEU 70 CO 0.06 0.93 -0.33 1.56 -0.34 0.00 0.00 178.44 180.32 1wws h GLN 71 N 0.78 0.66 -0.50 1.25 1.08 -1.08 -1.27 115.11 116.03 1wws h GLN 71 Ca 0.14 -0.31 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 1wws h GLN 71 Cb 0.55 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 1wws h GLN 71 CO 0.03 0.90 0.28 0.93 -0.95 0.00 0.00 178.83 180.03 1wws h GLU 72 N 0.56 0.68 -0.43 1.46 4.39 -0.96 -2.54 114.58 117.74 1wws h GLU 72 Ca 0.06 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1wws h GLU 72 Cb 0.84 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1wws h GLU 72 CO 0.07 0.52 0.23 0.35 -1.16 0.00 0.00 179.01 179.02 1wws h PHE 73 N 0.66 0.61 0.00 4.33 3.57 -1.01 -2.29 116.94 122.81 1wws h PHE 73 Ca 0.18 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1wws h PHE 73 Cb 0.02 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.57 1wws h PHE 73 CO -0.02 0.47 0.00 0.54 -2.23 0.00 0.00 178.31 177.07 1wws n ARG 74 N -4.69 0.01 -2.86 1.11 1.74 -0.50 -4.25 116.66 107.21 1wws n ARG 74 Ca 0.01 0.45 -0.41 0.00 -0.77 0.00 0.00 57.85 57.13 1wws n ARG 74 Cb 0.09 -1.53 0.01 0.00 -1.02 0.00 0.00 32.46 30.01 1wws n ARG 74 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wws n ARG 75 N -1.55 4.78 -2.68 5.56 1.74 -0.86 -4.88 116.66 118.76 1wws n ARG 75 Ca 0.01 -4.62 -0.05 0.00 -0.77 0.00 0.00 57.85 52.41 1wws n ARG 75 Cb 0.04 -2.47 0.10 0.00 -1.02 0.00 0.00 32.46 29.11 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 0.63 -1.56 -3.50 0.55 -0.08 -1.26 -5.10 116.55 106.23 1wws n ASP 77 Ca 0.35 -2.39 -0.28 0.00 -1.51 0.00 0.00 54.79 50.97 1wws n ASP 77 Cb 0.31 1.35 -0.11 0.00 2.34 0.00 0.00 41.12 45.01 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 0.11 0.60 0.10 5.18 2.01 -1.26 -5.11 115.64 117.27 1wws s THR 78 Ca 0.19 -2.42 -0.31 0.00 0.31 0.00 0.00 61.69 59.46 1wws s THR 78 Cb 0.28 -1.43 -0.07 0.00 0.01 0.00 0.00 72.50 71.29 1wws s THR 78 CO -0.14 -1.09 1.33 0.00 -0.69 0.00 0.00 174.62 174.04 1wws s ALA 79 N 0.35 3.53 -0.12 7.40 0.00 -1.26 -5.02 121.76 126.64 1wws s ALA 79 Ca 0.25 1.04 -0.01 0.00 0.00 0.00 0.00 51.96 53.24 1wws s ALA 79 Cb -0.10 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 1wws s ALA 79 CO -0.09 -0.56 -0.08 -0.51 0.00 0.00 0.00 175.76 174.52 1wws s LEU 80 N 1.06 3.04 0.63 0.00 1.43 -1.26 -5.10 118.68 118.48 1wws s LEU 80 Ca 0.63 -0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 53.38 1wws s LEU 80 Cb -0.35 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1wws s LEU 80 CO 0.30 0.23 1.26 -1.61 0.23 0.00 0.00 176.35 176.76 1wws s GLU 81 N -0.01 2.71 0.01 1.70 2.02 -1.26 -4.84 118.70 119.03 1wws s GLU 81 Ca -0.01 1.97 -0.06 0.00 0.02 0.00 0.00 54.97 56.89 1wws s GLU 81 Cb -0.14 -1.88 -0.29 0.00 0.10 0.00 0.00 34.13 31.92 1wws s GLU 81 CO 0.03 -1.45 0.89 1.25 0.02 0.00 0.00 175.26 176.01 1wws h LEU 82 N 0.67 0.48 -0.40 1.80 7.12 -1.95 -3.39 115.31 119.64 1wws h LEU 82 Ca -0.51 -0.62 0.08 0.00 0.13 0.00 0.00 57.88 56.96 1wws h LEU 82 Cb 1.32 -0.16 -0.09 0.00 -0.53 0.00 0.00 40.66 41.21 1wws h LEU 82 CO 0.54 1.51 -0.25 0.50 -0.13 0.00 0.00 178.44 180.61 1wws h LYS 83 N 0.08 -0.17 -0.54 1.25 3.11 -1.96 -2.17 116.57 116.17 1wws h LYS 83 Ca -0.24 0.01 0.05 0.00 -2.81 0.00 0.00 60.65 57.66 1wws h LYS 83 Cb 2.04 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 33.28 1wws h LYS 83 CO 0.18 -0.11 0.36 -1.35 -2.81 0.00 0.00 179.45 175.72 1wws h PRO 84 N -0.18 0.53 -0.02 1.90 0.11 -1.84 -0.43 132.00 132.08 1wws h PRO 84 Ca 0.19 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1wws h PRO 84 Cb 0.48 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 1wws h PRO 84 CO -0.51 0.35 -0.03 0.28 -0.21 0.00 0.00 178.00 177.89 1wws h VAL 85 N 0.55 1.40 -0.73 3.15 2.07 -1.50 -1.21 116.25 119.99 1wws h VAL 85 Ca 0.23 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 1wws h VAL 85 Cb 0.21 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 1wws h VAL 85 CO -0.06 0.33 0.28 -0.07 0.02 0.00 0.00 177.57 178.07 1wws h LEU 86 N -0.43 1.00 -0.72 2.57 3.38 -1.16 -0.40 115.31 119.55 1wws h LEU 86 Ca 0.00 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1wws h LEU 86 Cb 0.55 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1wws h LEU 86 CO 0.01 0.89 0.09 0.44 0.09 0.00 0.00 178.44 179.96 1wws h ASP 87 N 1.05 1.03 -0.32 -0.43 3.32 -1.08 -1.64 116.42 118.34 1wws h ASP 87 Ca 0.24 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1wws h ASP 87 Cb 0.21 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1wws h ASP 87 CO -0.02 1.03 0.07 0.00 -1.72 0.00 0.00 179.24 178.60 1wws h ALA 88 N 1.08 0.43 0.00 3.45 0.00 -0.69 -2.85 119.26 120.68 1wws h ALA 88 Ca 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1wws h ALA 88 Cb 0.45 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wws h ALA 88 CO 0.01 0.10 -0.11 -0.07 0.00 0.00 0.00 179.25 179.19 1wws h LEU 89 N 0.37 0.00 -0.62 0.00 3.38 -0.93 -2.78 115.31 114.73 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 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1wws h LEU 89 CO 0.00 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.64 1wws n ALA 90 N -2.21 1.49 0.73 1.53 0.00 -0.63 -1.44 120.51 119.97 1wws n ALA 90 Ca -0.01 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.62 1wws n ALA 90 Cb 0.27 -1.31 0.49 0.00 0.00 0.00 0.00 19.45 18.90 1wws n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wws n ALA 91 N -1.69 2.16 -2.75 0.00 0.00 -1.05 -4.78 120.51 112.40 1wws n ALA 91 Ca 0.02 -0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.20 1wws n ALA 91 Cb 0.16 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 1wws n ALA 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wws s LEU 92 N -3.76 3.97 0.11 0.00 1.43 -0.52 -5.05 118.68 114.85 1wws s LEU 92 Ca 0.11 -0.18 -0.35 0.00 -1.03 0.00 0.00 54.13 52.68 1wws s LEU 92 Cb 0.14 -2.56 -0.15 0.00 0.03 0.00 0.00 46.19 43.66 1wws s LEU 92 CO 0.51 -0.18 1.53 -2.65 0.23 0.00 0.00 176.35 175.80 1wws n PRO 93 N -1.37 1.84 -2.00 1.29 -0.02 -1.26 -4.91 135.00 128.56 1wws n PRO 93 Ca -0.06 0.66 -0.39 0.00 -2.02 0.00 0.00 63.50 61.70 1wws n PRO 93 Cb 0.58 -2.40 0.01 0.00 -0.02 0.00 0.00 33.50 31.67 1wws n PRO 93 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1wws s PRO 94 N 1.08 3.74 0.56 0.52 0.02 -1.26 -4.99 135.00 134.66 1wws s PRO 94 Ca 0.82 2.15 -0.12 0.00 0.02 0.00 0.00 61.00 63.88 1wws s PRO 94 Cb -0.77 -2.60 -0.05 0.00 0.02 0.00 0.00 34.50 31.10 1wws s PRO 94 CO 0.42 -0.68 0.96 -0.51 -0.33 0.00 0.00 177.00 176.86 1wws s LEU 95 N -2.77 3.43 0.12 -5.54 1.43 -1.26 -4.99 118.68 109.11 1wws s LEU 95 Ca 0.61 1.36 -0.15 0.00 -1.03 0.00 0.00 54.13 54.93 1wws s LEU 95 Cb -0.38 -4.36 -0.03 0.00 0.03 0.00 0.00 46.19 41.45 1wws s LEU 95 CO 0.48 -0.72 1.55 -0.78 0.23 0.00 0.00 176.35 177.11 1wws h ASP 96 N 0.20 0.69 -2.85 2.29 1.82 -2.00 -3.44 116.42 113.13 1wws h ASP 96 Ca -0.45 -0.33 -0.64 0.00 -0.39 0.00 0.00 57.03 55.22 1wws h ASP 96 Cb 1.19 -0.19 -0.06 0.00 0.68 0.00 0.00 39.33 40.96 1wws h ASP 96 CO 0.62 0.86 -0.50 -0.76 -1.61 0.00 0.00 179.24 177.84 1wws s LEU 97 N -9.37 4.32 0.51 2.28 1.43 -1.26 -5.11 118.68 111.49 1wws s LEU 97 Ca -0.13 0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 53.22 1wws s LEU 97 Cb 0.10 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1wws s LEU 97 CO 0.80 0.26 0.84 -1.83 0.23 0.00 0.00 176.35 176.65 1wws s GLU 98 N -1.97 3.55 0.11 1.70 -1.05 -1.26 -4.86 118.70 114.92 1wws s GLU 98 Ca 0.27 0.33 -0.10 0.00 -0.15 0.00 0.00 54.97 55.32 1wws s GLU 98 Cb -0.13 -2.31 -0.06 0.00 -0.44 0.00 0.00 34.13 31.20 1wws s GLU 98 CO 0.19 -0.29 0.43 0.14 0.95 0.00 0.00 175.26 176.67 1wws s VAL 99 N -2.85 5.06 0.98 1.83 -7.23 -1.26 -1.55 120.40 115.38 1wws s VAL 99 Ca 0.49 0.43 -0.12 0.00 -1.81 0.00 0.00 61.98 60.97 1wws s VAL 99 Cb -0.10 -3.65 0.18 0.00 0.56 0.00 0.00 36.38 33.36 1wws s VAL 99 CO 0.47 0.21 1.09 0.00 -0.31 0.00 0.00 175.10 176.56 1wws s ALA 100 N -1.48 1.03 0.30 1.32 0.00 0.82 -4.76 121.76 118.98 1wws s ALA 100 Ca 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 1wws s ALA 100 Cb -0.13 -3.16 0.46 0.00 0.00 0.00 0.00 23.12 20.28 1wws s ALA 100 CO 0.19 -2.77 1.92 0.93 0.00 0.00 0.00 175.76 176.03 1wws h GLU 101 N -1.85 0.95 -0.91 0.00 4.39 -1.98 -1.60 114.58 113.57 1wws h GLU 101 Ca -0.53 -0.11 0.05 0.00 0.34 0.00 0.00 59.36 59.11 1wws h GLU 101 Cb 1.31 -0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 29.72 1wws h GLU 101 CO 0.56 0.71 0.59 0.38 -1.16 0.00 0.00 179.01 180.09 1wws h ASP 102 N 0.95 0.95 0.06 1.42 -0.00 -1.92 -2.56 116.42 115.33 1wws h ASP 102 Ca 0.24 -0.00 -0.23 0.00 -0.00 0.00 0.00 57.03 57.03 1wws h ASP 102 Cb 0.04 -0.21 0.02 0.00 -0.00 0.00 0.00 39.33 39.19 1wws h ASP 102 CO -0.04 0.63 -0.96 0.58 -0.00 0.00 0.00 179.24 179.46 1wws h VAL 103 N 1.09 1.35 -0.40 4.15 2.07 -1.74 -2.77 116.25 120.00 1wws h VAL 103 Ca 0.37 -2.31 0.08 0.00 0.82 0.00 0.00 66.70 65.67 1wws h VAL 103 Cb 0.09 2.66 -0.09 0.00 -1.52 0.00 0.00 31.29 32.44 1wws h VAL 103 CO -0.13 0.69 -0.26 -0.09 0.02 0.00 0.00 177.57 177.81 1wws h ARG 104 N 0.11 -0.18 0.00 1.57 2.43 -0.96 0.67 114.38 118.01 1wws h ARG 104 Ca -0.14 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1wws h ARG 104 Cb 1.65 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.25 1wws h ARG 104 CO 0.18 -0.12 0.00 -0.91 -1.51 0.00 0.00 179.97 177.62 1wws h ASN 105 N -0.19 0.00 1.19 -3.80 2.35 -1.57 -3.09 115.58 110.47 1wws h ASN 105 Ca 0.19 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.80 1wws h ASN 105 Cb 0.49 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1wws h ASN 105 CO -0.51 0.00 -0.67 0.25 -1.65 0.00 0.00 177.43 174.84 1wws h LEU 106 N 0.00 0.00 -0.48 1.61 5.85 -0.64 -3.36 115.31 118.28 1wws h LEU 106 Ca 0.00 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1wws h LEU 106 Cb 0.70 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.64 1wws h LEU 106 CO 0.00 0.67 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.59 1wws h LEU 107 N 0.00 -0.43 -1.48 2.25 3.38 -0.99 -0.79 115.31 117.25 1wws h LEU 107 Ca -0.01 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1wws h LEU 107 Cb 1.45 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 1wws h LEU 107 CO 0.09 -0.15 -0.17 1.55 0.09 0.00 0.00 178.44 179.85 1wws h PRO 108 N 0.01 0.13 -0.25 1.13 0.13 -1.77 -0.45 132.00 130.92 1wws h PRO 108 Ca 0.23 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 65.19 1wws h PRO 108 Cb 0.36 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1wws h PRO 108 CO -0.49 0.30 -0.44 0.93 -0.23 0.00 0.00 178.00 178.07 1wws h GLU 109 N 0.12 0.63 -0.19 0.86 5.08 -1.48 -1.60 114.58 118.00 1wws h GLU 109 Ca 0.02 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 57.93 1wws h GLU 109 Cb 0.37 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1wws h GLU 109 CO 0.02 0.95 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.55 1wws h LEU 110 N 0.51 0.42 -0.72 1.33 3.38 -0.60 0.44 115.31 120.07 1wws h LEU 110 Ca 0.03 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1wws h LEU 110 Cb 0.97 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1wws h LEU 110 CO 0.09 0.75 0.31 0.00 0.09 0.00 0.00 178.44 179.68 1wws h ALA 111 N 1.28 0.93 -0.32 1.53 0.00 -0.72 0.18 119.26 122.14 1wws h ALA 111 Ca 0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1wws h ALA 111 Cb 0.79 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1wws h ALA 111 CO 0.06 0.52 -0.01 0.78 0.00 0.00 0.00 179.25 180.60 1wws h GLY 112 N 1.01 0.62 0.78 0.00 0.00 -0.81 -2.25 103.07 102.42 1wws h GLY 112 Ca 0.24 -0.46 0.05 0.00 0.00 0.00 0.00 47.33 47.16 1wws h GLY 112 CO -0.03 0.43 0.44 0.00 0.00 0.00 0.00 176.54 177.38 1wws h ALA 113 N 0.84 0.97 -0.56 3.60 0.00 -0.44 -0.30 119.26 123.36 1wws h ALA 113 Ca 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1wws h ALA 113 Cb 0.46 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1wws h ALA 113 CO 0.02 0.18 0.10 -0.07 0.00 0.00 0.00 179.25 179.48 1wws h LEU 114 N 0.83 0.84 -0.33 0.00 3.38 -0.51 -0.26 115.31 119.26 1wws h LEU 114 Ca 0.31 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1wws h LEU 114 Cb 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1wws h LEU 114 CO -0.15 0.84 -0.11 0.58 0.09 0.00 0.00 178.44 179.70 1wws h VAL 115 N 0.85 1.28 -0.22 1.22 2.07 -0.77 0.06 116.25 120.74 1wws h VAL 115 Ca 0.18 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.52 1wws h VAL 115 Cb 0.36 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1wws h VAL 115 CO 0.01 0.38 0.12 0.58 0.02 0.00 0.00 177.57 178.68 1wws h VAL 116 N 0.44 1.02 -0.76 2.57 2.07 -0.74 0.23 116.25 121.09 1wws h VAL 116 Ca 0.08 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1wws h VAL 116 Cb 0.62 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1wws h VAL 116 CO 0.04 0.05 0.29 0.00 0.02 0.00 0.00 177.57 177.96 1wws h ALA 117 N 1.10 1.08 -0.53 1.67 0.00 -0.96 -1.49 119.26 120.12 1wws h ALA 117 Ca 0.08 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1wws h ALA 117 Cb -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1wws h ALA 117 CO -0.04 0.65 0.01 -0.92 0.00 0.00 0.00 179.25 178.95 1wws h TYR 118 N 1.11 1.00 -0.52 0.00 5.03 -0.49 -1.03 116.97 122.07 1wws h TYR 118 Ca 0.25 -0.17 -0.07 0.00 2.58 0.00 0.00 58.73 61.32 1wws h TYR 118 Cb 0.23 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 38.23 1wws h TYR 118 CO 0.02 0.92 0.04 0.00 -1.32 0.00 0.00 178.16 177.82 1wws h ALA 119 N 0.95 1.09 0.01 1.82 0.00 -0.26 -2.72 119.26 120.16 1wws h ALA 119 Ca 0.15 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 1wws h ALA 119 Cb 0.52 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1wws h ALA 119 CO 0.03 0.58 -0.88 0.00 0.00 0.00 0.00 179.25 178.97 1wws h ARG 120 N 0.80 0.12 -0.60 0.00 3.08 -1.10 -2.75 114.38 113.93 1wws h ARG 120 Ca 0.16 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1wws h ARG 120 Cb 0.42 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 1wws h ARG 120 CO 0.01 0.93 0.30 0.28 -1.07 0.00 0.00 179.97 180.42 1wws h VAL 121 N 0.06 1.21 -0.06 2.04 2.07 -1.02 -1.04 116.25 119.51 1wws h VAL 121 Ca -0.03 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 66.93 1wws h VAL 121 Cb 1.53 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1wws h VAL 121 CO 0.13 0.23 -0.00 -0.07 0.02 0.00 0.00 177.57 177.88 1wws h LEU 122 N 0.82 -0.02 -2.32 2.57 3.38 -1.44 -0.68 115.31 117.61 1wws h LEU 122 Ca 0.21 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1wws h LEU 122 Cb 0.09 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1wws h LEU 122 CO -0.03 -0.00 -0.02 0.50 0.09 0.00 0.00 178.44 178.98 1wws h LYS 123 N 0.02 0.00 0.19 1.13 1.63 -1.18 -0.43 116.57 117.94 1wws h LYS 123 Ca 0.03 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.51 1wws h LYS 123 Cb 0.03 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 31.69 1wws h LYS 123 CO -0.05 0.02 -1.36 0.93 -3.45 0.00 0.00 179.45 175.53 1wws h GLU 124 N 0.00 0.54 -0.55 1.90 4.39 -0.42 -2.20 114.58 118.23 1wws h GLU 124 Ca -0.00 -0.83 -0.10 0.00 0.34 0.00 0.00 59.36 58.76 1wws h GLU 124 Cb 0.04 0.30 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1wws h GLU 124 CO 0.00 1.39 -0.06 -0.07 -1.16 0.00 0.00 179.01 179.12 1wws h LEU 125 N 0.19 1.00 -6.65 1.33 3.38 -0.15 -3.37 115.31 111.04 1wws h LEU 125 Ca -0.22 -0.33 -0.60 0.00 0.09 0.00 0.00 57.88 56.83 1wws h LEU 125 Cb 2.05 -0.27 -0.39 0.00 0.09 0.00 0.00 40.66 42.14 1wws h LEU 125 CO 0.25 1.09 -0.84 -0.62 0.09 0.00 0.00 178.44 178.41 1wws s ASP 126 N -6.56 2.73 0.50 -0.43 2.15 -0.26 -5.00 116.67 109.79 1wws s ASP 126 Ca -0.12 -2.84 0.33 0.00 0.43 0.00 0.00 52.55 50.35 1wws s ASP 126 Cb 0.13 -0.71 1.44 0.00 -0.30 0.00 0.00 42.92 43.49 1wws s ASP 126 CO 0.85 -0.22 1.75 -0.65 -0.17 0.00 0.00 175.17 176.74 1wws h PRO 127 N 6.20 0.11 -0.01 4.34 0.11 -1.57 0.34 132.00 141.51 1wws h PRO 127 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1wws h PRO 127 Cb 0.91 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1wws h PRO 127 CO 0.41 0.07 -0.13 0.00 -0.21 0.00 0.00 178.00 178.14 1wws n ALA 128 N -2.68 2.84 -1.73 -0.75 0.00 -1.26 -4.94 120.51 111.99 1wws n ALA 128 Ca 0.29 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1wws n ALA 128 Cb 1.25 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.24 4.04 0.00 0.00 7.94 0.12 -4.89 117.00 123.97 1wws n LEU 129 Ca 0.15 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 56.23 1wws n LEU 129 Cb 0.35 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 42.76 1wws n LEU 129 CO 0.21 -0.10 -0.05 1.17 -1.11 0.00 0.00 177.39 177.52 1wws n LYS 130 N 1.44 5.41 -3.47 1.96 4.81 -1.26 -4.90 118.16 122.15 1wws n LYS 130 Ca 0.07 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.52 1wws n LYS 130 Cb 0.36 -0.48 -0.04 0.00 0.02 0.00 0.00 35.03 34.89 1wws n LYS 130 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1wws s ASN 131 N -0.95 -0.91 0.53 3.14 3.84 -1.26 -1.52 114.94 117.81 1wws s ASN 131 Ca 0.00 1.12 -0.21 0.00 0.21 0.00 0.00 52.86 53.97 1wws s ASN 131 Cb 0.00 1.99 -0.05 0.00 -0.55 0.00 0.00 41.25 42.63 1wws s ASN 131 CO 0.00 -0.17 1.27 -2.16 -2.79 0.00 0.00 177.10 173.25 1wws s PRO 132 N 2.72 3.27 0.33 0.43 0.04 -1.25 -4.99 135.00 135.55 1wws s PRO 132 Ca -0.01 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.11 1wws s PRO 132 Cb -0.10 -2.22 -0.07 0.00 0.04 0.00 0.00 34.50 32.15 1wws s PRO 132 CO -0.18 -1.02 -0.02 -1.14 0.04 0.00 0.00 177.00 174.67 1wws s GLN 133 N -2.94 1.71 0.60 4.56 0.74 -1.26 -4.91 119.66 118.16 1wws s GLN 133 Ca 0.71 -1.91 0.28 0.00 0.05 0.00 0.00 55.36 54.48 1wws s GLN 133 Cb -0.35 -1.29 1.32 0.00 1.10 0.00 0.00 33.01 33.79 1wws s GLN 133 CO 0.41 -0.01 1.73 1.15 -0.55 0.00 0.00 175.29 178.01 1wws h THR 134 N 2.09 0.23 0.15 -0.34 2.02 -1.99 0.26 112.91 115.32 1wws h THR 134 Ca -0.41 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 1wws h THR 134 Cb 1.24 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1wws h THR 134 CO 0.71 0.00 -0.07 -0.08 0.37 0.00 0.00 175.52 176.45 1wws h GLU 135 N 0.00 -0.19 -0.28 6.66 4.81 -2.01 -3.10 114.58 120.48 1wws h GLU 135 Ca 0.26 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.45 1wws h GLU 135 Cb 1.59 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.01 1wws h GLU 135 CO -0.00 0.17 -0.05 0.45 -0.73 0.00 0.00 179.01 178.85 1wws h HIS 136 N -0.59 0.58 -1.00 0.92 3.86 -0.91 -3.08 115.15 114.92 1wws h HIS 136 Ca -0.02 -0.12 0.15 0.00 -1.16 0.00 0.00 60.37 59.22 1wws h HIS 136 Cb 0.45 -0.14 -0.09 0.00 1.06 0.00 0.00 27.41 28.68 1wws h HIS 136 CO 0.05 0.71 0.62 0.45 0.86 0.00 0.00 177.93 180.62 1wws h HIS 137 N 0.28 1.11 -0.04 2.45 3.86 -1.38 0.45 115.15 121.89 1wws h HIS 137 Ca 0.07 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.22 1wws h HIS 137 Cb 0.51 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1wws h HIS 137 CO 0.05 0.36 -0.41 0.93 0.86 0.00 0.00 177.93 179.72 1wws h GLU 138 N 0.90 0.08 0.06 2.45 5.08 -1.49 -0.18 114.58 121.47 1wws h GLU 138 Ca 0.53 -0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 58.59 1wws h GLU 138 Cb 0.66 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.93 1wws h GLU 138 CO -0.31 0.47 -1.11 0.00 -1.00 0.00 0.00 179.01 177.07 1wws h ARG 139 N 0.06 0.49 -0.49 2.33 3.08 -0.67 -2.56 114.38 116.63 1wws h ARG 139 Ca 0.00 -0.61 -0.12 0.00 0.07 0.00 0.00 59.98 59.32 1wws h ARG 139 Cb 0.75 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 1wws h ARG 139 CO 0.06 1.24 -0.18 0.00 -1.07 0.00 0.00 179.97 180.02 1wws h ALA 140 N 0.53 0.68 -0.52 0.04 0.00 -0.00 -2.46 119.26 117.53 1wws h ALA 140 Ca -0.13 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 1wws h ALA 140 Cb 1.77 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1wws h ALA 140 CO 0.20 0.64 0.19 0.93 0.00 0.00 0.00 179.25 181.21 1wws h GLU 141 N 0.83 0.79 -0.97 0.00 5.08 -1.07 -1.06 114.58 118.19 1wws h GLU 141 Ca 0.12 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1wws h GLU 141 Cb 0.75 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 1wws h GLU 141 CO 0.06 0.71 0.64 0.00 -1.00 0.00 0.00 179.01 179.42 1wws h ARG 142 N 0.71 1.24 0.39 2.33 3.08 -1.34 0.18 114.38 120.98 1wws h ARG 142 Ca 0.17 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1wws h ARG 142 Cb 0.23 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1wws h ARG 142 CO -0.01 0.82 -0.19 0.28 -1.07 0.00 0.00 179.97 179.80 1wws h VAL 143 N 1.28 0.62 -0.50 2.04 2.07 -1.00 -3.04 116.25 117.72 1wws h VAL 143 Ca 0.37 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.80 1wws h VAL 143 Cb -0.10 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 1wws h VAL 143 CO -0.09 0.03 0.14 -0.26 0.02 0.00 0.00 177.57 177.41 1wws h PHE 144 N -0.62 0.24 -0.14 1.57 0.05 -0.86 -1.75 116.94 115.42 1wws h PHE 144 Ca -0.05 0.03 0.04 0.00 3.82 0.00 0.00 57.97 61.81 1wws h PHE 144 Cb 0.46 -0.03 -0.01 0.00 2.00 0.00 0.00 35.95 38.37 1wws h PHE 144 CO -0.03 0.05 0.31 -0.91 -0.18 0.00 0.00 178.31 177.55 1wws h ASN 145 N 0.29 0.00 0.90 2.17 -0.26 -0.87 0.30 115.58 118.11 1wws h ASN 145 Ca 0.24 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.85 1wws h ASN 145 Cb 0.30 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.54 1wws h ASN 145 CO -0.28 0.00 -0.65 -0.07 -1.06 0.00 0.00 177.43 175.37 1wws h LEU 146 N 0.00 0.00 0.00 1.61 3.38 -1.21 -3.38 115.31 115.71 1wws h LEU 146 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1wws h LEU 146 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1wws h LEU 146 CO -0.00 0.65 -1.00 0.18 0.09 0.00 0.00 178.44 178.36 1wws n LEU 147 N -3.53 0.00 0.00 1.67 4.77 -0.17 -5.16 117.00 114.58 1wws n LEU 147 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1wws n LEU 147 Cb 0.70 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 1wws n LEU 147 CO 0.42 0.00 0.13 0.18 -1.33 0.00 0.00 177.39 176.79