#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 3.86 0.21 3.23 1.02 -1.26 -3.92 119.74 122.87 1wws s LYS 4 Ca 0.00 0.76 -0.10 0.00 0.02 0.00 0.00 55.97 56.65 1wws s LYS 4 Cb 0.00 -2.22 0.29 0.00 -0.52 0.00 0.00 37.83 35.38 1wws s LYS 4 CO 0.00 -0.21 1.70 0.28 -0.92 0.00 0.00 175.35 176.20 1wws h VAL 5 N 0.87 0.63 -0.30 3.17 2.07 -2.02 -1.17 116.25 119.51 1wws h VAL 5 Ca -0.47 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1wws h VAL 5 Cb 1.19 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1wws h VAL 5 CO 0.62 0.04 0.12 0.00 0.02 0.00 0.00 177.57 178.38 1wws h ALA 6 N 1.48 1.65 -0.12 1.67 0.00 -2.04 -1.66 119.26 120.24 1wws h ALA 6 Ca 0.31 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.94 1wws h ALA 6 Cb 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wws h ALA 6 CO -0.41 0.28 -0.74 0.93 0.00 0.00 0.00 179.25 179.31 1wws h GLU 7 N 0.42 0.59 0.33 0.00 5.08 -1.67 -1.43 114.58 117.90 1wws h GLU 7 Ca 0.11 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1wws h GLU 7 Cb 0.09 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1wws h GLU 7 CO -0.01 1.10 -0.16 0.74 -1.00 0.00 0.00 179.01 179.68 1wws h PHE 8 N 0.41 -0.42 -0.82 4.33 0.04 -0.83 -1.40 116.94 118.25 1wws h PHE 8 Ca -0.04 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.82 1wws h PHE 8 Cb 1.34 0.14 -0.07 0.00 2.20 0.00 0.00 35.95 39.55 1wws h PHE 8 CO 0.06 -0.21 0.47 0.93 -0.60 0.00 0.00 178.31 178.96 1wws h GLU 9 N -0.52 0.76 -0.55 1.51 5.08 -1.32 -1.61 114.58 117.93 1wws h GLU 9 Ca -0.05 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1wws h GLU 9 Cb 0.39 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1wws h GLU 9 CO 0.08 0.51 0.35 -0.09 -1.00 0.00 0.00 179.01 178.85 1wws h ARG 10 N 0.79 0.69 -0.36 2.33 2.43 -0.98 -2.07 114.38 117.20 1wws h ARG 10 Ca 0.40 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.42 1wws h ARG 10 Cb 0.36 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1wws h ARG 10 CO -0.25 0.46 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.42 1wws h LEU 11 N 0.71 0.79 -1.48 3.80 3.38 -0.59 -2.06 115.31 119.86 1wws h LEU 11 Ca 0.21 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.82 1wws h LEU 11 Cb -0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1wws h LEU 11 CO -0.06 1.02 0.40 -0.26 0.09 0.00 0.00 178.44 179.63 1wws h PHE 12 N 0.55 0.64 0.41 1.13 0.04 -1.15 0.45 116.94 119.02 1wws h PHE 12 Ca 0.08 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 1wws h PHE 12 Cb 0.73 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.67 1wws h PHE 12 CO 0.06 0.36 -0.20 0.00 -0.60 0.00 0.00 178.31 177.93 1wws h ARG 13 N 0.66 -0.53 -0.27 1.51 3.08 -1.16 -1.23 114.38 116.44 1wws h ARG 13 Ca 0.25 0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.25 1wws h ARG 13 Cb 0.17 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1wws h ARG 13 CO -0.07 -0.23 -0.19 1.96 -1.07 0.00 0.00 179.97 180.36 1wws h GLN 14 N -1.00 0.49 -0.16 0.04 4.20 -1.19 0.84 115.11 118.33 1wws h GLN 14 Ca -0.06 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.42 1wws h GLN 14 Cb 0.54 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 1wws h GLN 14 CO 0.09 0.66 -0.18 0.00 -0.67 0.00 0.00 178.83 178.73 1wws h ALA 15 N 1.36 0.23 0.00 3.87 0.00 -0.19 -3.41 119.26 121.12 1wws h ALA 15 Ca 0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1wws h ALA 15 Cb 0.59 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1wws h ALA 15 CO 0.04 0.15 -0.34 0.00 0.00 0.00 0.00 179.25 179.10 1wws n ALA 16 N -2.44 2.15 -3.77 0.00 0.00 -0.98 -4.74 120.51 110.73 1wws n ALA 16 Ca -0.06 -0.71 -0.24 0.00 0.00 0.00 0.00 53.44 52.43 1wws n ALA 16 Cb 0.39 -0.32 0.03 0.00 0.00 0.00 0.00 19.45 19.55 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 0.04 -0.34 3.51 0.00 0.00 0.29 -4.96 105.19 103.73 1wws n GLY 17 Ca -0.01 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -6.87 2.86 -0.52 0.99 1.43 -0.50 -4.75 118.68 111.32 1wws s LEU 18 Ca 0.19 -0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 52.94 1wws s LEU 18 Cb -0.10 -1.64 0.13 0.00 0.03 0.00 0.00 46.19 44.62 1wws s LEU 18 CO 0.82 0.30 0.41 -0.62 0.23 0.00 0.00 176.35 177.48 1wws s ASP 19 N -1.20 5.83 0.22 2.29 2.15 0.13 -3.15 116.67 122.94 1wws s ASP 19 Ca 0.14 -2.01 -0.30 0.00 0.43 0.00 0.00 52.55 50.81 1wws s ASP 19 Cb -0.11 -2.05 -0.08 0.00 -0.30 0.00 0.00 42.92 40.38 1wws s ASP 19 CO 0.05 -0.69 0.95 0.54 -0.17 0.00 0.00 175.17 175.84 1wws s VAL 20 N 1.22 4.12 -0.22 1.11 0.11 -1.26 -3.92 120.40 121.55 1wws s VAL 20 Ca 0.07 2.07 -0.28 0.00 -2.93 0.00 0.00 61.98 60.90 1wws s VAL 20 Cb -0.25 -4.32 0.01 0.00 -1.53 0.00 0.00 36.38 30.29 1wws s VAL 20 CO -0.01 0.46 1.01 -0.62 -3.33 0.00 0.00 175.10 172.61 1wws s ASP 21 N -0.97 7.07 0.60 3.54 -1.08 -1.26 -4.90 116.67 119.67 1wws s ASP 21 Ca 0.42 1.34 0.30 0.00 -0.52 0.00 0.00 52.55 54.09 1wws s ASP 21 Cb -0.26 -2.53 1.23 0.00 -1.46 0.00 0.00 42.92 39.90 1wws s ASP 21 CO 0.32 -0.63 1.58 0.11 0.52 0.00 0.00 175.17 177.07 1wws h LYS 22 N 7.45 0.00 0.00 4.34 1.57 -1.99 0.62 116.57 128.56 1wws h LYS 22 Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1wws h LYS 22 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1wws h LYS 22 CO 0.96 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.93 1wws n ASN 23 N -3.51 0.00 -0.00 0.86 3.02 -1.26 -2.77 115.26 111.61 1wws n ASN 23 Ca 0.19 0.10 0.07 0.00 -0.03 0.00 0.00 54.58 54.91 1wws n ASN 23 Cb 1.21 -0.34 -0.08 0.00 -0.61 0.00 0.00 39.78 39.96 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 -1.34 0.70 0.13 6.41 8.00 0.22 -4.58 116.55 126.10 1wws n ASP 24 Ca 0.09 -0.84 0.04 0.00 0.71 0.00 0.00 54.79 54.80 1wws n ASP 24 Cb 0.20 1.01 0.45 0.00 -0.02 0.00 0.00 41.12 42.76 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 0.21 -0.08 0.64 3.38 -1.56 -2.24 115.31 115.66 1wws h LEU 25 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wws h LEU 25 Cb 0.35 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1wws h LEU 25 CO 0.00 0.29 0.05 0.50 0.09 0.00 0.00 178.44 179.36 1wws h LYS 26 N 0.22 0.09 -0.43 1.13 1.63 -1.81 0.74 116.57 118.16 1wws h LYS 26 Ca 0.05 -0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.73 1wws h LYS 26 Cb 0.22 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1wws h LYS 26 CO 0.01 0.06 -0.19 -0.09 -3.45 0.00 0.00 179.45 175.79 1wws h ARG 27 N 0.10 0.89 -0.41 1.90 9.65 -1.84 -1.36 114.38 123.30 1wws h ARG 27 Ca 0.03 -0.38 0.02 0.00 -1.10 0.00 0.00 59.98 58.55 1wws h ARG 27 Cb -0.00 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 1wws h ARG 27 CO -0.02 1.03 0.25 0.28 2.80 0.00 0.00 179.97 184.31 1wws h VAL 28 N 0.71 1.06 -0.09 0.20 2.07 -1.24 0.29 116.25 119.25 1wws h VAL 28 Ca 0.10 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1wws h VAL 28 Cb 0.76 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1wws h VAL 28 CO 0.06 0.09 0.06 -1.28 0.02 0.00 0.00 177.57 176.52 1wws h SER 29 N 0.50 0.10 -0.77 0.57 0.87 -0.73 -0.68 113.55 113.41 1wws h SER 29 Ca 0.16 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 1wws h SER 29 Cb -0.01 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 1wws h SER 29 CO -0.07 0.08 0.32 0.44 -0.53 0.00 0.00 176.83 177.07 1wws h ASP 30 N 0.11 1.06 0.04 6.23 3.45 -0.96 0.14 116.42 126.50 1wws h ASP 30 Ca 0.03 -0.16 -0.00 0.00 0.43 0.00 0.00 57.03 57.33 1wws h ASP 30 Cb -0.00 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 38.49 1wws h ASP 30 CO -0.01 0.94 -0.02 0.15 -1.57 0.00 0.00 179.24 178.73 1wws h PHE 31 N 1.13 -0.06 0.00 4.55 3.57 -0.12 -0.75 116.94 125.26 1wws h PHE 31 Ca 0.26 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 1wws h PHE 31 Cb 0.20 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1wws h PHE 31 CO 0.02 0.02 -0.55 -0.07 -2.23 0.00 0.00 178.31 175.51 1wws h LEU 32 N -0.12 0.00 -0.57 0.59 3.38 -1.01 -2.29 115.31 115.30 1wws h LEU 32 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1wws h LEU 32 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1wws h LEU 32 CO 0.01 0.55 0.05 -0.09 0.09 0.00 0.00 178.44 179.04 1wws h ARG 33 N 0.00 0.97 -0.78 1.13 1.12 -0.56 0.13 114.38 116.38 1wws h ARG 33 Ca -0.01 -0.28 -0.05 0.00 -1.11 0.00 0.00 59.98 58.54 1wws h ARG 33 Cb 1.10 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 30.92 1wws h ARG 33 CO 0.07 0.95 0.31 -0.91 -3.11 0.00 0.00 179.97 177.28 1wws h ASN 34 N 0.86 1.08 -0.51 -3.80 2.35 -0.84 0.20 115.58 114.91 1wws h ASN 34 Ca 0.17 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 1wws h ASN 34 Cb 0.48 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1wws h ASN 34 CO 0.02 0.96 -0.03 0.11 -1.65 0.00 0.00 177.43 176.84 1wws h LYS 35 N 1.14 0.96 -0.50 0.81 1.79 -1.06 -0.05 116.57 119.66 1wws h LYS 35 Ca 0.26 -0.31 -0.09 0.00 -2.18 0.00 0.00 60.65 58.33 1wws h LYS 35 Cb 0.22 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1wws h LYS 35 CO -0.02 0.97 -0.04 1.25 -1.08 0.00 0.00 179.45 180.52 1wws h LEU 36 N 0.88 0.91 -0.82 2.94 5.85 -0.33 -1.99 115.31 122.75 1wws h LEU 36 Ca 0.16 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1wws h LEU 36 Cb 0.56 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1wws h LEU 36 CO 0.03 1.02 0.54 0.22 -0.34 0.00 0.00 178.44 179.91 1wws h TYR 37 N 0.77 1.04 -0.14 1.25 3.20 -0.24 -1.86 116.97 120.99 1wws h TYR 37 Ca 0.14 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 1wws h TYR 37 Cb 0.58 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1wws h TYR 37 CO 0.04 0.66 -0.28 -0.44 -1.64 0.00 0.00 178.16 176.50 1wws h ASP 38 N 1.12 0.25 -0.24 -2.11 3.32 -0.73 0.12 116.42 118.15 1wws h ASP 38 Ca 0.30 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1wws h ASP 38 Cb -0.13 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1wws h ASP 38 CO -0.06 0.53 0.04 -0.07 -1.72 0.00 0.00 179.24 177.95 1wws h LEU 39 N 0.23 0.37 -1.10 1.55 3.38 -0.72 -2.04 115.31 116.97 1wws h LEU 39 Ca 0.03 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1wws h LEU 39 Cb 0.61 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1wws h LEU 39 CO 0.04 0.54 -0.18 -0.07 0.09 0.00 0.00 178.44 178.87 1wws h LEU 40 N 0.19 0.41 -0.68 1.67 3.38 -0.99 0.13 115.31 119.43 1wws h LEU 40 Ca 0.07 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1wws h LEU 40 Cb 0.33 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1wws h LEU 40 CO 0.00 0.61 -0.12 0.00 0.09 0.00 0.00 178.44 179.02 1wws h ALA 41 N 1.43 0.87 -0.33 1.53 0.00 -0.62 0.14 119.26 122.29 1wws h ALA 41 Ca 0.07 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1wws h ALA 41 Cb 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1wws h ALA 41 CO 0.03 0.64 -0.17 0.28 0.00 0.00 0.00 179.25 180.03 1wws h VAL 42 N 0.80 1.29 -0.64 0.00 2.07 -1.03 -2.75 116.25 115.99 1wws h VAL 42 Ca 0.13 -1.29 0.06 0.00 0.82 0.00 0.00 66.70 66.41 1wws h VAL 42 Cb 0.65 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 1wws h VAL 42 CO 0.05 0.42 0.35 0.00 0.02 0.00 0.00 177.57 178.41 1wws h ALA 43 N 0.77 0.86 -0.74 1.67 0.00 -0.62 0.50 119.26 121.69 1wws h ALA 43 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1wws h ALA 43 Cb 0.71 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1wws h ALA 43 CO 0.05 0.03 0.39 1.49 0.00 0.00 0.00 179.25 181.21 1wws h GLU 44 N 0.66 1.05 -0.42 0.00 4.81 -0.88 0.13 114.58 119.92 1wws h GLU 44 Ca 0.29 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1wws h GLU 44 Cb 0.17 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1wws h GLU 44 CO -0.18 0.79 0.24 -0.09 -0.73 0.00 0.00 179.01 179.04 1wws h ARG 45 N 1.03 0.58 -0.67 1.92 2.43 -1.07 -1.58 114.38 117.02 1wws h ARG 45 Ca 0.26 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 1wws h ARG 45 Cb 0.07 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1wws h ARG 45 CO -0.04 0.46 0.21 -0.91 -1.51 0.00 0.00 179.97 178.17 1wws h ASN 46 N 0.55 0.98 -0.88 -3.80 2.35 -0.32 0.02 115.58 114.47 1wws h ASN 46 Ca 0.15 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 1wws h ASN 46 Cb 0.04 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.11 1wws h ASN 46 CO -0.03 0.93 0.48 0.00 -1.65 0.00 0.00 177.43 177.17 1wws h ALA 47 N 1.09 1.13 -0.33 -0.83 0.00 -0.49 -0.49 119.26 119.34 1wws h ALA 47 Ca 0.22 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1wws h ALA 47 Cb 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1wws h ALA 47 CO -0.01 0.65 -0.41 0.87 0.00 0.00 0.00 179.25 180.35 1wws h LYS 48 N 1.24 0.82 -0.57 0.00 1.57 -0.98 -0.96 116.57 117.69 1wws h LYS 48 Ca 0.31 -0.44 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1wws h LYS 48 Cb 0.03 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1wws h LYS 48 CO -0.05 1.08 0.38 -0.92 -0.57 0.00 0.00 179.45 179.37 1wws h TYR 49 N 0.67 0.72 -0.33 -1.35 5.03 -0.50 -1.52 116.97 119.69 1wws h TYR 49 Ca 0.05 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.38 1wws h TYR 49 Cb 0.98 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 39.02 1wws h TYR 49 CO 0.06 0.45 0.00 0.09 -1.32 0.00 0.00 178.16 177.44 1wws n ASN 50 N -4.45 1.80 -2.59 -2.11 3.02 -0.24 -4.92 115.26 105.77 1wws n ASN 50 Ca 0.06 -1.97 -0.17 0.00 -0.03 0.00 0.00 54.58 52.46 1wws n ASN 50 Cb 0.05 -0.22 0.05 0.00 -0.61 0.00 0.00 39.78 39.05 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 1.05 -0.14 3.47 7.41 0.00 -0.57 -5.03 105.19 111.37 1wws n GLY 51 Ca 0.12 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.79 1.69 0.00 1.61 0.52 -0.40 -5.02 118.95 111.57 1wws s ARG 52 Ca 0.37 -1.38 0.22 0.00 -0.52 0.00 0.00 55.73 54.42 1wws s ARG 52 Cb -0.16 -1.98 0.51 0.00 0.52 0.00 0.00 34.95 33.84 1wws s ARG 52 CO 0.45 0.43 1.44 -0.25 0.02 0.00 0.00 175.30 177.39 1wws n ASP 53 N 0.38 2.95 -4.03 0.23 10.43 -1.26 -4.29 116.55 120.95 1wws n ASP 53 Ca -0.13 -1.92 -0.10 0.00 2.57 0.00 0.00 54.79 55.20 1wws n ASP 53 Cb 0.55 -0.21 -0.11 0.00 1.84 0.00 0.00 41.12 43.19 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 -1.51 2.28 -0.13 0.64 1.02 -1.26 -4.14 118.68 115.58 1wws s LEU 54 Ca 0.37 -0.59 -0.14 0.00 0.02 0.00 0.00 54.13 53.78 1wws s LEU 54 Cb 0.21 0.01 -0.05 0.00 0.02 0.00 0.00 46.19 46.38 1wws s LEU 54 CO 0.30 -0.30 0.31 -0.63 0.02 0.00 0.00 176.35 176.05 1wws s ILE 55 N -1.78 5.28 0.39 -0.59 1.01 -0.92 -4.84 121.20 119.75 1wws s ILE 55 Ca -0.10 0.59 0.08 0.00 0.00 0.00 0.00 60.65 61.21 1wws s ILE 55 Cb -0.07 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 38.68 1wws s ILE 55 CO -0.02 0.42 -0.00 -0.36 0.00 0.00 0.00 174.94 174.99 1wws s PHE 56 N 0.18 2.50 0.26 3.97 0.08 -1.26 -0.41 117.98 123.29 1wws s PHE 56 Ca 0.18 -0.62 -0.02 0.00 0.12 0.00 0.00 56.93 56.58 1wws s PHE 56 Cb -0.13 -1.70 0.51 0.00 -0.57 0.00 0.00 43.02 41.13 1wws s PHE 56 CO 0.05 0.47 1.73 1.49 -0.10 0.00 0.00 175.22 178.86 1wws h GLU 57 N 1.81 0.47 -0.03 0.44 4.81 -1.95 -1.12 114.58 119.01 1wws h GLU 57 Ca -0.43 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1wws h GLU 57 Cb 1.24 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 1wws h GLU 57 CO 0.78 0.31 0.07 -1.35 -0.73 0.00 0.00 179.01 178.09 1wws h PRO 58 N 0.49 0.00 -0.02 0.92 0.11 -2.02 -1.12 132.00 130.36 1wws h PRO 58 Ca 0.45 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.44 1wws h PRO 58 Cb 0.69 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 1wws h PRO 58 CO -0.41 0.00 -0.52 -0.44 -0.21 0.00 0.00 178.00 176.42 1wws h ASP 59 N 0.00 0.07 -3.07 -2.05 3.32 -1.53 -3.43 116.42 109.73 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 0.15 -0.02 0.02 0.00 0.22 0.00 0.00 39.33 39.70 1wws h ASP 59 CO -0.00 0.58 0.67 -0.76 -1.72 0.00 0.00 179.24 178.01 1wws s LEU 60 N -7.90 4.37 -1.35 1.55 1.43 -0.43 -3.64 118.68 112.71 1wws s LEU 60 Ca -0.02 2.24 -0.16 0.00 -1.03 0.00 0.00 54.13 55.16 1wws s LEU 60 Cb 0.13 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.79 1wws s LEU 60 CO 0.76 -0.59 2.07 -0.81 0.23 0.00 0.00 176.35 178.00 1wws n PRO 61 N 3.87 2.77 -3.53 1.29 -0.04 -1.26 -4.90 135.00 133.21 1wws n PRO 61 Ca 0.10 -2.70 -0.42 0.00 -0.04 0.00 0.00 63.50 60.45 1wws n PRO 61 Cb 0.43 -3.32 -0.10 0.00 -0.04 0.00 0.00 33.50 30.47 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 3.89 4.85 0.77 0.52 1.01 -1.26 -5.07 121.20 125.89 1wws s ILE 62 Ca 0.50 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 60.16 1wws s ILE 62 Cb 0.11 -3.76 0.05 0.00 0.01 0.00 0.00 42.46 38.87 1wws s ILE 62 CO -0.02 -0.34 1.09 0.00 0.00 0.00 0.00 174.94 175.67 1wws s ALA 63 N 1.59 2.44 0.30 9.38 0.00 -1.26 -4.77 121.76 129.43 1wws s ALA 63 Ca 0.03 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 51.84 1wws s ALA 63 Cb -0.20 -3.10 0.73 0.00 0.00 0.00 0.00 23.12 20.55 1wws s ALA 63 CO 0.07 -1.54 1.75 -0.22 0.00 0.00 0.00 175.76 175.82 1wws h LYS 64 N -0.95 0.60 -0.03 0.00 3.64 -1.99 -1.00 116.57 116.83 1wws h LYS 64 Ca -0.46 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1wws h LYS 64 Cb 1.26 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1wws h LYS 64 CO 0.60 0.40 0.01 0.78 -2.27 0.00 0.00 179.45 178.96 1wws h GLY 65 N 0.62 0.04 1.59 5.01 0.00 -2.00 -0.98 103.07 107.35 1wws h GLY 65 Ca 0.57 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.84 1wws h GLY 65 CO -0.43 0.00 -0.05 -2.00 0.00 0.00 0.00 176.54 174.06 1wws h LEU 66 N 0.02 0.47 -0.48 3.11 5.85 -1.70 -1.73 115.31 120.86 1wws h LEU 66 Ca 0.01 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1wws h LEU 66 Cb 0.01 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1wws h LEU 66 CO -0.02 0.58 0.32 -0.61 -0.34 0.00 0.00 178.44 178.37 1wws h GLN 67 N 0.48 0.63 -0.51 1.25 5.75 -0.76 -0.45 115.11 121.50 1wws h GLN 67 Ca 0.10 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.48 1wws h GLN 67 Cb 0.39 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 1wws h GLN 67 CO 0.02 0.41 -0.01 0.93 -2.65 0.00 0.00 178.83 177.53 1wws h GLU 68 N 0.65 0.87 -0.20 1.69 5.08 -0.60 -1.99 114.58 120.07 1wws h GLU 68 Ca 0.18 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1wws h GLU 68 Cb -0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1wws h GLU 68 CO -0.04 0.88 -0.20 1.15 -1.00 0.00 0.00 179.01 179.79 1wws h THR 69 N 0.81 1.24 -0.36 1.13 2.02 -0.95 -1.06 112.91 115.73 1wws h THR 69 Ca 0.15 -1.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.22 1wws h THR 69 Cb 0.50 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1wws h THR 69 CO 0.02 0.34 0.11 0.25 0.37 0.00 0.00 175.52 176.62 1wws h LEU 70 N 0.33 0.52 -1.04 2.58 5.85 -0.51 -0.37 115.31 122.67 1wws h LEU 70 Ca 0.06 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1wws h LEU 70 Cb 0.55 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1wws h LEU 70 CO 0.04 0.59 0.25 1.56 -0.34 0.00 0.00 178.44 180.54 1wws h GLN 71 N 0.43 0.94 -0.78 1.25 1.08 -0.98 -0.13 115.11 116.92 1wws h GLN 71 Ca 0.12 -0.15 0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1wws h GLN 71 Cb 0.25 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.47 1wws h GLN 71 CO -0.00 0.77 0.49 0.93 -0.95 0.00 0.00 178.83 180.07 1wws h GLU 72 N 0.93 0.91 -0.32 1.46 4.39 -0.67 -2.25 114.58 119.03 1wws h GLU 72 Ca 0.22 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 1wws h GLU 72 Cb 0.18 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1wws h GLU 72 CO -0.02 0.60 -0.03 0.35 -1.16 0.00 0.00 179.01 178.76 1wws h PHE 73 N 0.94 0.63 -0.01 4.33 3.57 -0.07 -2.83 116.94 123.49 1wws h PHE 73 Ca 0.32 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1wws h PHE 73 Cb 0.06 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 1wws h PHE 73 CO -0.04 0.72 0.08 0.00 -2.23 0.00 0.00 178.31 176.84 1wws h ARG 74 N 0.37 0.00 -3.04 1.11 3.08 -0.54 -3.38 114.38 111.97 1wws h ARG 74 Ca 0.09 0.00 -0.79 0.00 0.07 0.00 0.00 59.98 59.35 1wws h ARG 74 Cb 0.49 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.31 1wws h ARG 74 CO 0.02 0.00 1.38 0.54 -1.07 0.00 0.00 179.97 180.84 1wws n ARG 75 N -3.17 4.27 -2.67 0.04 1.74 -0.89 -4.81 116.66 111.16 1wws n ARG 75 Ca -0.02 -4.12 -0.04 0.00 -0.77 0.00 0.00 57.85 52.90 1wws n ARG 75 Cb 0.15 -2.66 0.07 0.00 -1.02 0.00 0.00 32.46 28.99 1wws n ARG 75 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1wws n ASP 77 N 2.13 -1.34 -3.58 0.55 8.00 -1.26 -5.09 116.55 115.96 1wws n ASP 77 Ca 0.35 -1.99 -0.29 0.00 0.71 0.00 0.00 54.79 53.57 1wws n ASP 77 Cb 0.33 1.16 -0.14 0.00 -0.02 0.00 0.00 41.12 42.46 1wws n ASP 77 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1wws s THR 78 N 0.07 0.45 0.18 -3.53 2.01 -1.26 -5.12 115.64 108.44 1wws s THR 78 Ca 0.15 -1.55 -0.30 0.00 0.31 0.00 0.00 61.69 60.30 1wws s THR 78 Cb 0.22 -1.34 -0.08 0.00 0.01 0.00 0.00 72.50 71.31 1wws s THR 78 CO -0.11 -0.84 0.94 0.00 -0.69 0.00 0.00 174.62 173.91 1wws s ALA 79 N 1.32 3.30 0.06 7.40 0.00 -1.26 -5.01 121.76 127.57 1wws s ALA 79 Ca 0.14 0.59 0.09 0.00 0.00 0.00 0.00 51.96 52.78 1wws s ALA 79 Cb -0.20 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1wws s ALA 79 CO -0.14 0.11 -0.25 -0.51 0.00 0.00 0.00 175.76 174.96 1wws s LEU 80 N -0.65 2.25 0.46 0.00 1.43 -1.26 -5.13 118.68 115.78 1wws s LEU 80 Ca 0.43 -0.59 -0.19 0.00 -1.03 0.00 0.00 54.13 52.75 1wws s LEU 80 Cb -0.25 -1.31 -0.10 0.00 0.03 0.00 0.00 46.19 44.57 1wws s LEU 80 CO 0.31 0.25 0.96 -1.61 0.23 0.00 0.00 176.35 176.49 1wws s GLU 81 N -1.38 4.11 -0.08 1.70 2.02 -1.26 -4.84 118.70 118.97 1wws s GLU 81 Ca 0.12 1.05 -0.27 0.00 0.02 0.00 0.00 54.97 55.89 1wws s GLU 81 Cb -0.10 -2.16 -0.23 0.00 0.10 0.00 0.00 34.13 31.73 1wws s GLU 81 CO 0.03 -0.13 1.01 1.25 0.02 0.00 0.00 175.26 177.44 1wws h LEU 82 N 1.50 0.01 -0.97 1.80 5.85 -1.95 -3.38 115.31 118.17 1wws h LEU 82 Ca -0.48 -0.76 0.16 0.00 0.84 0.00 0.00 57.88 57.64 1wws h LEU 82 Cb 1.18 -0.00 -0.16 0.00 0.37 0.00 0.00 40.66 42.05 1wws h LEU 82 CO 0.61 0.77 -0.37 0.50 -0.34 0.00 0.00 178.44 179.61 1wws h LYS 83 N -0.74 -0.01 -0.89 1.25 3.64 -1.97 0.61 116.57 118.46 1wws h LYS 83 Ca -0.00 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 1wws h LYS 83 Cb 0.77 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.53 1wws h LYS 83 CO 0.00 -0.01 0.58 -1.35 -2.27 0.00 0.00 179.45 176.40 1wws h PRO 84 N -0.01 0.87 -0.28 1.90 0.11 -1.86 0.85 132.00 133.59 1wws h PRO 84 Ca 0.35 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.32 1wws h PRO 84 Cb 0.61 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1wws h PRO 84 CO -0.97 0.58 -0.18 0.28 -0.21 0.00 0.00 178.00 177.50 1wws h VAL 85 N 0.90 1.30 -0.40 3.15 2.07 -1.03 -1.43 116.25 120.81 1wws h VAL 85 Ca 0.41 -1.30 -0.14 0.00 0.82 0.00 0.00 66.70 66.49 1wws h VAL 85 Cb 0.39 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1wws h VAL 85 CO -0.17 0.41 -0.31 -0.07 0.02 0.00 0.00 177.57 177.45 1wws h LEU 86 N 0.34 0.94 -0.55 2.57 3.38 -0.68 -1.68 115.31 119.64 1wws h LEU 86 Ca 0.06 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1wws h LEU 86 Cb 0.71 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1wws h LEU 86 CO 0.05 1.17 0.27 0.44 0.09 0.00 0.00 178.44 180.46 1wws h ASP 87 N 0.76 0.72 -0.48 -0.43 3.32 -0.83 -0.28 116.42 119.19 1wws h ASP 87 Ca 0.08 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.02 1wws h ASP 87 Cb 0.88 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 1wws h ASP 87 CO 0.08 0.64 0.29 0.00 -1.72 0.00 0.00 179.24 178.53 1wws h ALA 88 N 1.10 0.61 0.00 3.45 0.00 -1.11 -2.15 119.26 121.17 1wws h ALA 88 Ca 0.19 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1wws h ALA 88 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1wws h ALA 88 CO -0.02 -0.01 -0.25 -0.07 0.00 0.00 0.00 179.25 178.89 1wws h LEU 89 N 0.58 0.00 -0.78 0.00 3.38 -0.92 -2.92 115.31 114.65 1wws h LEU 89 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1wws h LEU 89 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wws h LEU 89 CO -0.08 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.70 1wws n ALA 90 N -2.31 1.32 0.26 1.53 0.00 -0.15 -1.20 120.51 119.95 1wws n ALA 90 Ca -0.01 0.10 0.15 0.00 0.00 0.00 0.00 53.44 53.68 1wws n ALA 90 Cb 0.37 -1.28 0.49 0.00 0.00 0.00 0.00 19.45 19.03 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 2.15 1.00 -1.80 0.00 0.00 -1.57 -3.45 119.26 115.59 1wws h ALA 91 Ca 0.00 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 54.44 1wws h ALA 91 Cb 0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1wws h ALA 91 CO 0.00 0.01 -0.38 -0.51 0.00 0.00 0.00 179.25 178.37 1wws s LEU 92 N -6.20 3.81 0.21 0.00 1.43 -0.35 -5.05 118.68 112.53 1wws s LEU 92 Ca 0.03 -0.33 -0.32 0.00 -1.03 0.00 0.00 54.13 52.49 1wws s LEU 92 Cb 0.07 -2.52 -0.15 0.00 0.03 0.00 0.00 46.19 43.63 1wws s LEU 92 CO 0.59 -0.41 1.25 -2.65 0.23 0.00 0.00 176.35 175.36 1wws n PRO 93 N -1.54 1.55 -2.38 1.29 -0.02 -1.26 -4.94 135.00 127.71 1wws n PRO 93 Ca -0.01 0.55 -0.34 0.00 -2.02 0.00 0.00 63.50 61.69 1wws n PRO 93 Cb 0.59 -2.11 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 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 -0.51 3.58 0.52 0.52 0.04 -1.26 -5.02 135.00 132.87 1wws s PRO 94 Ca 0.70 1.42 -0.19 0.00 0.04 0.00 0.00 61.00 62.96 1wws s PRO 94 Cb -0.75 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 31.66 1wws s PRO 94 CO 0.52 -0.63 1.06 -0.51 0.04 0.00 0.00 177.00 177.49 1wws s LEU 95 N -3.74 3.77 0.14 -3.56 1.43 -1.26 -4.95 118.68 110.50 1wws s LEU 95 Ca 0.69 1.98 -0.06 0.00 -1.03 0.00 0.00 54.13 55.70 1wws s LEU 95 Cb -0.19 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.41 1wws s LEU 95 CO 0.25 -0.95 1.34 0.44 0.23 0.00 0.00 176.35 177.66 1wws h ASP 96 N 1.30 0.66 -3.00 2.29 3.32 -1.99 -3.46 116.42 115.55 1wws h ASP 96 Ca -0.49 -0.47 -0.61 0.00 0.02 0.00 0.00 57.03 55.48 1wws h ASP 96 Cb 1.23 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 1wws h ASP 96 CO 0.58 1.24 -0.43 -0.76 -1.72 0.00 0.00 179.24 178.15 1wws s LEU 97 N -8.04 4.33 0.45 1.55 1.43 -1.26 -5.09 118.68 112.05 1wws s LEU 97 Ca -0.07 0.39 -0.21 0.00 -1.03 0.00 0.00 54.13 53.21 1wws s LEU 97 Cb 0.09 -3.07 -0.10 0.00 0.03 0.00 0.00 46.19 43.15 1wws s LEU 97 CO 0.87 0.13 1.00 -1.61 0.23 0.00 0.00 176.35 176.97 1wws s GLU 98 N -2.53 4.03 0.02 1.70 2.02 -1.26 -4.86 118.70 117.83 1wws s GLU 98 Ca 0.37 1.26 -0.11 0.00 0.02 0.00 0.00 54.97 56.51 1wws s GLU 98 Cb -0.13 -2.17 -0.05 0.00 0.10 0.00 0.00 34.13 31.88 1wws s GLU 98 CO 0.26 -0.22 0.36 0.14 0.02 0.00 0.00 175.26 175.82 1wws s VAL 99 N -2.04 5.14 0.92 2.63 -7.23 -1.26 -2.16 120.40 116.39 1wws s VAL 99 Ca 0.64 0.54 -0.11 0.00 -1.81 0.00 0.00 61.98 61.24 1wws s VAL 99 Cb -0.13 -3.63 0.15 0.00 0.56 0.00 0.00 36.38 33.32 1wws s VAL 99 CO 0.17 0.45 1.09 0.00 -0.31 0.00 0.00 175.10 176.50 1wws s ALA 100 N -1.22 1.33 0.30 1.32 0.00 0.45 -4.75 121.76 119.18 1wws s ALA 100 Ca 0.27 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.34 1wws s ALA 100 Cb -0.15 -3.26 0.58 0.00 0.00 0.00 0.00 23.12 20.29 1wws s ALA 100 CO 0.14 -2.57 1.87 1.49 0.00 0.00 0.00 175.76 176.69 1wws h GLU 101 N -1.71 0.94 -0.60 0.00 4.57 -1.98 -1.67 114.58 114.14 1wws h GLU 101 Ca -0.49 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 57.65 1wws h GLU 101 Cb 1.28 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.62 1wws h GLU 101 CO 0.51 0.62 0.38 0.38 -1.18 0.00 0.00 179.01 179.72 1wws h ASP 102 N 0.97 0.63 -0.24 1.04 -0.00 -1.93 -2.39 116.42 114.50 1wws h ASP 102 Ca 0.45 -0.01 -0.16 0.00 -0.00 0.00 0.00 57.03 57.31 1wws h ASP 102 Cb 0.40 -0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 39.58 1wws h ASP 102 CO -0.21 0.45 -0.45 0.58 -0.00 0.00 0.00 179.24 179.61 1wws h VAL 103 N 0.75 1.28 -0.49 4.15 2.07 -1.69 -1.82 116.25 120.50 1wws h VAL 103 Ca 0.23 -1.63 0.06 0.00 0.82 0.00 0.00 66.70 66.18 1wws h VAL 103 Cb -0.02 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1wws h VAL 103 CO -0.08 0.53 0.20 -0.09 0.02 0.00 0.00 177.57 178.15 1wws h ARG 104 N 0.64 0.39 -0.07 1.57 2.43 -1.02 0.92 114.38 119.23 1wws h ARG 104 Ca 0.04 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 1wws h ARG 104 Cb 1.02 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1wws h ARG 104 CO 0.10 0.26 -0.52 -0.91 -1.51 0.00 0.00 179.97 177.38 1wws h ASN 105 N 0.40 0.21 -0.04 -3.80 2.35 -1.37 -3.17 115.58 110.16 1wws h ASN 105 Ca 0.23 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.77 1wws h ASN 105 Cb 0.21 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1wws h ASN 105 CO -0.21 0.70 -0.28 0.25 -1.65 0.00 0.00 177.43 176.23 1wws h LEU 106 N 0.15 0.49 -0.58 1.61 5.85 -0.28 -3.34 115.31 119.21 1wws h LEU 106 Ca 0.00 -0.18 0.12 0.00 0.84 0.00 0.00 57.88 58.67 1wws h LEU 106 Cb 0.97 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.76 1wws h LEU 106 CO 0.08 0.76 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.80 1wws h LEU 107 N 0.42 -0.40 -1.20 2.25 3.38 -0.85 0.22 115.31 119.14 1wws h LEU 107 Ca 0.06 0.16 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1wws h LEU 107 Cb 0.71 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1wws h LEU 107 CO 0.05 -0.15 -0.40 1.55 0.09 0.00 0.00 178.44 179.58 1wws h PRO 108 N 0.06 0.00 -0.45 1.13 0.13 -1.76 -1.43 132.00 129.67 1wws h PRO 108 Ca 0.29 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.29 1wws h PRO 108 Cb 0.46 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 1wws h PRO 108 CO -0.55 0.40 -0.21 0.93 -0.23 0.00 0.00 178.00 178.34 1wws h GLU 109 N 0.00 0.94 -0.80 0.86 5.08 -1.17 -1.47 114.58 118.02 1wws h GLU 109 Ca -0.00 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 57.91 1wws h GLU 109 Cb 0.71 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1wws h GLU 109 CO 0.05 1.07 0.36 -0.07 -1.00 0.00 0.00 179.01 179.42 1wws h LEU 110 N 0.78 1.07 -0.62 1.33 3.38 -0.35 0.22 115.31 121.13 1wws h LEU 110 Ca 0.10 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1wws h LEU 110 Cb 0.79 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1wws h LEU 110 CO 0.07 0.93 0.41 0.00 0.09 0.00 0.00 178.44 179.93 1wws h ALA 111 N 1.19 0.79 -0.29 1.53 0.00 -0.97 0.27 119.26 121.78 1wws h ALA 111 Ca 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1wws h ALA 111 Cb 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1wws h ALA 111 CO -0.03 0.20 0.14 0.78 0.00 0.00 0.00 179.25 180.35 1wws h GLY 112 N 0.83 0.45 0.88 0.00 0.00 -0.39 -1.84 103.07 103.00 1wws h GLY 112 Ca 0.23 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.37 1wws h GLY 112 CO -0.06 0.21 0.42 0.00 0.00 0.00 0.00 176.54 177.12 1wws h ALA 113 N 1.00 0.88 -0.81 3.60 0.00 0.02 -0.92 119.26 123.03 1wws h ALA 113 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1wws h ALA 113 Cb 0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1wws h ALA 113 CO -0.01 0.19 0.44 -0.07 0.00 0.00 0.00 179.25 179.80 1wws h LEU 114 N 0.83 1.01 -0.30 0.00 3.38 -0.20 -0.17 115.31 119.86 1wws h LEU 114 Ca 0.27 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1wws h LEU 114 Cb 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1wws h LEU 114 CO -0.10 0.81 -0.04 0.58 0.09 0.00 0.00 178.44 179.78 1wws h VAL 115 N 1.14 1.27 -0.35 1.22 2.07 -0.73 -0.80 116.25 120.07 1wws h VAL 115 Ca 0.29 -1.03 0.03 0.00 0.82 0.00 0.00 66.70 66.80 1wws h VAL 115 Cb 0.03 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1wws h VAL 115 CO -0.05 0.33 0.18 0.58 0.02 0.00 0.00 177.57 178.63 1wws h VAL 116 N 0.34 0.98 -0.70 2.57 2.07 -0.73 0.20 116.25 120.98 1wws h VAL 116 Ca 0.08 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 1wws h VAL 116 Cb 0.50 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1wws h VAL 116 CO 0.02 0.07 0.17 0.00 0.02 0.00 0.00 177.57 177.85 1wws h ALA 117 N 1.18 0.92 -0.39 1.67 0.00 -0.97 -1.43 119.26 120.23 1wws h ALA 117 Ca 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1wws h ALA 117 Cb 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1wws h ALA 117 CO -0.10 0.64 0.18 -0.92 0.00 0.00 0.00 179.25 179.05 1wws h TYR 118 N 1.05 0.57 -0.47 0.00 5.03 -0.56 0.11 116.97 122.70 1wws h TYR 118 Ca 0.22 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 1wws h TYR 118 Cb 0.37 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.45 1wws h TYR 118 CO 0.03 0.49 0.24 0.00 -1.32 0.00 0.00 178.16 177.60 1wws h ALA 119 N 1.03 0.60 -0.08 1.82 0.00 -0.44 -1.62 119.26 120.57 1wws h ALA 119 Ca 0.13 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1wws h ALA 119 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1wws h ALA 119 CO -0.02 0.13 -0.40 0.00 0.00 0.00 0.00 179.25 178.97 1wws h ARG 120 N 0.61 0.16 -0.56 0.00 3.08 -1.00 -1.49 114.38 115.18 1wws h ARG 120 Ca 0.16 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 1wws h ARG 120 Cb 0.07 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1wws h ARG 120 CO -0.02 0.54 0.09 0.28 -1.07 0.00 0.00 179.97 179.79 1wws h VAL 121 N 0.14 1.26 -0.70 2.04 2.07 -0.49 -0.83 116.25 119.74 1wws h VAL 121 Ca 0.01 -0.97 0.06 0.00 0.82 0.00 0.00 66.70 66.61 1wws h VAL 121 Cb 0.77 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 1wws h VAL 121 CO 0.06 0.35 0.41 0.25 0.02 0.00 0.00 177.57 178.66 1wws h LEU 122 N 0.82 0.62 -0.88 2.57 5.85 -0.79 -1.15 115.31 122.35 1wws h LEU 122 Ca 0.17 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 1wws h LEU 122 Cb 0.42 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1wws h LEU 122 CO 0.01 0.40 -0.22 0.50 -0.34 0.00 0.00 178.44 178.79 1wws h LYS 123 N 0.75 0.58 0.00 1.25 1.63 -0.73 -2.27 116.57 117.78 1wws h LYS 123 Ca 0.31 -0.21 -0.14 0.00 -0.85 0.00 0.00 60.65 59.76 1wws h LYS 123 Cb 0.16 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1wws h LYS 123 CO -0.17 0.76 -0.65 0.93 -3.45 0.00 0.00 179.45 176.87 1wws h GLU 124 N 0.51 0.00 0.00 1.90 4.39 -0.63 -0.90 114.58 119.85 1wws h GLU 124 Ca 0.08 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.66 1wws h GLU 124 Cb 0.66 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1wws h GLU 124 CO 0.05 0.65 -0.56 -0.07 -1.16 0.00 0.00 179.01 177.91 1wws h LEU 125 N 0.00 0.00 -6.17 1.33 3.38 -0.97 -3.38 115.31 109.50 1wws h LEU 125 Ca -0.01 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 1wws h LEU 125 Cb 1.24 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.69 1wws h LEU 125 CO 0.08 0.56 -0.72 -1.81 0.09 0.00 0.00 178.44 176.64 1wws s ASP 126 N -6.71 0.86 0.53 -0.43 1.01 -0.88 -5.03 116.67 106.02 1wws s ASP 126 Ca -0.01 -1.94 0.37 0.00 0.71 0.00 0.00 52.55 51.68 1wws s ASP 126 Cb 0.12 0.53 1.54 0.00 1.01 0.00 0.00 42.92 46.12 1wws s ASP 126 CO 0.74 -0.21 1.77 -0.65 0.21 0.00 0.00 175.17 177.03 1wws h PRO 127 N 6.45 0.03 -0.26 8.23 0.11 -1.37 0.15 132.00 145.35 1wws h PRO 127 Ca 0.10 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1wws h PRO 127 Cb 1.03 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1wws h PRO 127 CO 0.21 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.02 1wws n ALA 128 N -2.76 2.44 -1.73 -0.75 0.00 -1.26 -4.98 120.51 111.47 1wws n ALA 128 Ca 0.28 -0.86 -0.42 0.00 0.00 0.00 0.00 53.44 52.44 1wws n ALA 128 Cb 1.32 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 19.88 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 1.37 4.04 0.00 0.00 0.00 0.51 -4.89 117.00 118.04 1wws n LEU 129 Ca 0.18 1.15 0.00 0.00 0.00 0.00 0.00 56.01 57.34 1wws n LEU 129 Cb 0.59 -1.55 0.00 0.00 0.00 0.00 0.00 43.42 42.46 1wws n LEU 129 CO 0.16 -0.03 -0.36 0.29 0.00 0.00 0.00 177.39 177.45 1wws n LYS 130 N 2.01 0.15 -3.77 1.96 5.02 -1.26 -4.84 118.16 117.44 1wws n LYS 130 Ca 0.09 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.08 1wws n LYS 130 Cb 0.35 -0.86 -0.13 0.00 -0.02 0.00 0.00 35.03 34.37 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 -3.65 3.83 0.38 4.39 0.01 -1.26 0.17 114.94 118.82 1wws s ASN 131 Ca 0.00 -2.59 -0.27 0.00 -0.71 0.00 0.00 52.86 49.28 1wws s ASN 131 Cb 0.00 -1.14 -0.10 0.00 0.41 0.00 0.00 41.25 40.42 1wws s ASN 131 CO 0.00 -0.28 1.40 -2.16 -1.51 0.00 0.00 177.10 174.55 1wws s PRO 132 N 0.37 4.08 0.41 -0.60 0.04 -1.25 -5.01 135.00 133.04 1wws s PRO 132 Ca 0.17 2.38 0.07 0.00 0.04 0.00 0.00 61.00 63.66 1wws s PRO 132 Cb -0.24 -2.91 -0.05 0.00 0.04 0.00 0.00 34.50 31.34 1wws s PRO 132 CO -0.02 -0.48 0.21 -0.65 0.04 0.00 0.00 177.00 176.11 1wws s GLN 133 N -2.10 2.28 0.30 4.56 -0.21 -1.26 -4.43 119.66 118.80 1wws s GLN 133 Ca 0.54 -1.80 -0.01 0.00 0.02 0.00 0.00 55.36 54.10 1wws s GLN 133 Cb -0.43 -2.04 0.66 0.00 1.00 0.00 0.00 33.01 32.20 1wws s GLN 133 CO 0.57 -0.13 1.57 1.15 -2.12 0.00 0.00 175.29 176.32 1wws h THR 134 N 1.36 0.01 -0.67 -0.19 2.02 -2.00 0.10 112.91 113.54 1wws h THR 134 Ca -0.43 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1wws h THR 134 Cb 1.26 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1wws h THR 134 CO 0.68 0.00 0.40 -0.08 0.37 0.00 0.00 175.52 176.89 1wws h GLU 135 N 0.00 0.91 -0.72 6.66 4.57 -2.00 -2.13 114.58 121.88 1wws h GLU 135 Ca 0.56 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.63 1wws h GLU 135 Cb 1.07 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.43 1wws h GLU 135 CO -0.96 0.64 0.34 0.45 -1.18 0.00 0.00 179.01 178.31 1wws h HIS 136 N 0.93 1.05 -0.80 0.92 3.86 -1.18 -2.55 115.15 117.38 1wws h HIS 136 Ca 0.24 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.35 1wws h HIS 136 Cb -0.03 -0.32 -0.04 0.00 1.06 0.00 0.00 27.41 28.09 1wws h HIS 136 CO 0.00 0.78 0.32 0.45 0.86 0.00 0.00 177.93 180.34 1wws h HIS 137 N 1.01 1.23 -0.70 2.45 3.86 -1.20 -0.14 115.15 121.65 1wws h HIS 137 Ca 0.25 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 59.31 1wws h HIS 137 Cb 0.13 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 28.21 1wws h HIS 137 CO 0.01 0.92 0.24 0.93 0.86 0.00 0.00 177.93 180.89 1wws h GLU 138 N 1.17 1.07 -0.21 2.45 5.08 -1.16 -0.70 114.58 122.28 1wws h GLU 138 Ca 0.27 -0.21 -0.20 0.00 -1.00 0.00 0.00 59.36 58.21 1wws h GLU 138 Cb 0.22 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1wws h GLU 138 CO -0.02 0.90 -0.66 -0.09 -1.00 0.00 0.00 179.01 178.14 1wws h ARG 139 N 1.04 0.80 -0.85 2.33 2.43 -1.14 -2.51 114.38 116.48 1wws h ARG 139 Ca 0.23 -0.58 0.01 0.00 -0.81 0.00 0.00 59.98 58.83 1wws h ARG 139 Cb 0.27 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1wws h ARG 139 CO -0.01 1.20 0.56 0.00 -1.51 0.00 0.00 179.97 180.21 1wws h ALA 140 N 0.65 1.08 -0.80 2.80 0.00 -0.73 -1.81 119.26 120.45 1wws h ALA 140 Ca -0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wws h ALA 140 Cb 1.28 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1wws h ALA 140 CO 0.14 0.49 0.48 0.93 0.00 0.00 0.00 179.25 181.29 1wws h GLU 141 N 1.16 1.08 -0.85 0.00 5.08 -1.05 -1.24 114.58 118.77 1wws h GLU 141 Ca 0.31 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1wws h GLU 141 Cb -0.13 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 28.85 1wws h GLU 141 CO -0.07 0.76 0.48 0.00 -1.00 0.00 0.00 179.01 179.18 1wws h ARG 142 N 1.09 1.17 -0.07 2.33 3.08 -0.90 -0.78 114.38 120.30 1wws h ARG 142 Ca 0.29 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1wws h ARG 142 Cb -0.04 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.77 1wws h ARG 142 CO -0.05 0.84 0.00 0.28 -1.07 0.00 0.00 179.97 179.97 1wws h VAL 143 N 1.18 1.24 -0.85 2.04 2.07 -0.82 -3.08 116.25 118.02 1wws h VAL 143 Ca 0.30 -0.73 0.08 0.00 0.82 0.00 0.00 66.70 67.17 1wws h VAL 143 Cb 0.00 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 1wws h VAL 143 CO -0.05 0.20 0.51 -0.26 0.02 0.00 0.00 177.57 177.99 1wws h PHE 144 N -0.15 0.94 -0.01 1.57 0.05 -0.97 -2.10 116.94 116.27 1wws h PHE 144 Ca 0.02 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.84 1wws h PHE 144 Cb 0.32 -0.30 -0.00 0.00 2.00 0.00 0.00 35.95 37.97 1wws h PHE 144 CO 0.03 0.43 0.04 -0.91 -0.18 0.00 0.00 178.31 177.71 1wws h ASN 145 N 0.89 0.00 0.71 2.17 -0.26 -1.06 0.18 115.58 118.22 1wws h ASN 145 Ca 0.39 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.97 1wws h ASN 145 Cb 0.28 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.51 1wws h ASN 145 CO -0.21 0.00 -0.74 -0.07 -1.06 0.00 0.00 177.43 175.35 1wws h LEU 146 N 0.00 0.03 0.00 1.61 3.38 -1.37 -3.38 115.31 115.58 1wws h LEU 146 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wws h LEU 146 Cb 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1wws h LEU 146 CO -0.00 0.76 -0.92 0.18 0.09 0.00 0.00 178.44 178.55 1wws n LEU 147 N -3.67 0.00 0.00 1.67 4.77 -0.79 -5.17 117.00 113.81 1wws n LEU 147 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1wws n LEU 147 Cb 0.72 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1wws n LEU 147 CO 0.44 0.00 0.20 0.18 -1.33 0.00 0.00 177.39 176.88