#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 3.97 0.31 3.23 1.02 -1.26 -3.77 119.74 123.24 1wws s LYS 4 Ca 0.00 0.83 0.04 0.00 0.02 0.00 0.00 55.97 56.87 1wws s LYS 4 Cb 0.00 -2.24 0.67 0.00 -0.52 0.00 0.00 37.83 35.73 1wws s LYS 4 CO 0.00 -0.12 1.85 -0.39 -0.92 0.00 0.00 175.35 175.78 1wws h VAL 5 N 1.27 0.89 -0.50 3.17 -1.51 -1.99 -1.18 116.25 116.40 1wws h VAL 5 Ca -0.47 -0.30 -0.01 0.00 -1.23 0.00 0.00 66.70 64.69 1wws h VAL 5 Cb 1.18 -0.05 -0.02 0.00 -2.13 0.00 0.00 31.29 30.27 1wws h VAL 5 CO 0.62 0.16 0.28 0.00 -1.23 0.00 0.00 177.57 177.40 1wws h ALA 6 N 1.57 0.64 -0.63 5.19 0.00 -2.02 0.35 119.26 124.34 1wws h ALA 6 Ca 0.47 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 1wws h ALA 6 Cb 0.57 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1wws h ALA 6 CO -0.23 0.16 0.17 0.93 0.00 0.00 0.00 179.25 180.27 1wws h GLU 7 N 0.66 1.00 0.05 0.00 5.08 -1.72 -0.07 114.58 119.59 1wws h GLU 7 Ca 0.18 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1wws h GLU 7 Cb 0.04 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1wws h GLU 7 CO -0.03 0.90 -0.09 0.74 -1.00 0.00 0.00 179.01 179.53 1wws h PHE 8 N 0.93 -0.23 -0.39 4.33 0.04 -0.84 -1.70 116.94 119.08 1wws h PHE 8 Ca 0.20 0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.03 1wws h PHE 8 Cb 0.34 0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.53 1wws h PHE 8 CO 0.02 -0.14 0.09 0.93 -0.60 0.00 0.00 178.31 178.62 1wws h GLU 9 N -0.18 0.22 -0.18 1.51 5.08 -0.60 -2.13 114.58 118.29 1wws h GLU 9 Ca 0.02 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1wws h GLU 9 Cb 0.19 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1wws h GLU 9 CO -0.05 0.14 0.01 -0.09 -1.00 0.00 0.00 179.01 178.02 1wws h ARG 10 N 0.22 0.07 -0.86 2.33 2.43 -0.75 -1.56 114.38 116.27 1wws h ARG 10 Ca 0.18 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1wws h ARG 10 Cb 0.21 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1wws h ARG 10 CO -0.23 0.05 0.42 -0.07 -1.51 0.00 0.00 179.97 178.63 1wws h LEU 11 N 0.08 1.11 -1.08 3.80 3.38 -1.09 0.25 115.31 121.76 1wws h LEU 11 Ca 0.08 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1wws h LEU 11 Cb 0.09 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1wws h LEU 11 CO -0.13 0.93 0.25 -0.26 0.09 0.00 0.00 178.44 179.32 1wws h PHE 12 N 1.22 0.91 -0.05 1.13 0.04 -1.12 0.37 116.94 119.44 1wws h PHE 12 Ca 0.30 -0.05 -0.14 0.00 2.80 0.00 0.00 57.97 60.88 1wws h PHE 12 Cb 0.10 -0.28 0.01 0.00 2.20 0.00 0.00 35.95 37.98 1wws h PHE 12 CO 0.01 0.70 -0.51 -0.09 -0.60 0.00 0.00 178.31 177.82 1wws h ARG 13 N 0.89 0.43 -0.26 1.51 2.43 -0.61 -1.12 114.38 117.65 1wws h ARG 13 Ca 0.21 -0.40 -0.11 0.00 -0.81 0.00 0.00 59.98 58.87 1wws h ARG 13 Cb 0.17 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1wws h ARG 13 CO -0.02 1.05 -0.27 1.96 -1.51 0.00 0.00 179.97 181.18 1wws h GLN 14 N -0.04 0.65 -0.16 0.20 4.20 -0.30 0.80 115.11 120.45 1wws h GLN 14 Ca -0.05 -0.34 -0.20 0.00 0.06 0.00 0.00 58.65 58.11 1wws h GLN 14 Cb 1.19 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1wws h GLN 14 CO 0.10 0.95 -0.71 0.00 -0.67 0.00 0.00 178.83 178.51 1wws h ALA 15 N 0.69 0.44 0.00 3.87 0.00 -0.38 -3.39 119.26 120.48 1wws h ALA 15 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1wws h ALA 15 Cb 0.83 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1wws h ALA 15 CO 0.07 0.70 -0.06 0.00 0.00 0.00 0.00 179.25 179.95 1wws n ALA 16 N -2.57 1.14 -1.60 0.00 0.00 -0.96 -4.73 120.51 111.80 1wws n ALA 16 Ca -0.06 -0.51 -0.20 0.00 0.00 0.00 0.00 53.44 52.68 1wws n ALA 16 Cb 0.70 -0.06 -0.08 0.00 0.00 0.00 0.00 19.45 20.01 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 1.77 3.85 0.00 0.00 0.28 -4.93 105.19 106.15 1wws n GLY 17 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.65 4.24 -0.68 0.99 1.43 -0.48 -4.82 118.68 114.71 1wws s LEU 18 Ca 0.00 1.14 -0.06 0.00 -1.03 0.00 0.00 54.13 54.18 1wws s LEU 18 Cb 0.00 -3.59 0.18 0.00 0.03 0.00 0.00 46.19 42.80 1wws s LEU 18 CO 0.00 -0.02 0.53 -0.62 0.23 0.00 0.00 176.35 176.48 1wws s ASP 19 N -1.98 5.69 0.45 2.29 2.15 0.18 -2.79 116.67 122.66 1wws s ASP 19 Ca 0.44 -2.78 -0.23 0.00 0.43 0.00 0.00 52.55 50.41 1wws s ASP 19 Cb -0.13 -1.96 -0.08 0.00 -0.30 0.00 0.00 42.92 40.45 1wws s ASP 19 CO 0.20 -0.44 1.12 0.54 -0.17 0.00 0.00 175.17 176.42 1wws s VAL 20 N 0.04 3.33 -0.05 1.11 0.11 -1.26 -4.20 120.40 119.47 1wws s VAL 20 Ca 0.17 0.98 -0.30 0.00 -2.93 0.00 0.00 61.98 59.90 1wws s VAL 20 Cb -0.17 -3.49 -0.03 0.00 -1.53 0.00 0.00 36.38 31.16 1wws s VAL 20 CO -0.05 -0.03 1.16 -0.62 -3.33 0.00 0.00 175.10 172.24 1wws s ASP 21 N -1.48 7.09 0.49 3.54 -1.08 -1.26 -4.91 116.67 119.06 1wws s ASP 21 Ca 0.63 1.78 0.24 0.00 -0.52 0.00 0.00 52.55 54.68 1wws s ASP 21 Cb -0.26 -2.56 1.31 0.00 -1.46 0.00 0.00 42.92 39.95 1wws s ASP 21 CO 0.31 -0.55 1.92 0.11 0.52 0.00 0.00 175.17 177.49 1wws h LYS 22 N 7.34 0.14 0.00 4.34 1.57 -1.98 0.12 116.57 128.10 1wws h LYS 22 Ca -0.34 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1wws h LYS 22 Cb 1.16 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1wws h LYS 22 CO 0.87 0.09 0.00 0.09 -0.57 0.00 0.00 179.45 179.93 1wws n ASN 23 N -4.39 0.26 0.07 0.86 3.02 -1.26 -2.75 115.26 111.07 1wws n ASN 23 Ca 0.15 0.54 0.08 0.00 -0.03 0.00 0.00 54.58 55.32 1wws n ASN 23 Cb 0.72 -0.61 -0.04 0.00 -0.61 0.00 0.00 39.78 39.24 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 -1.76 0.74 0.02 6.41 8.00 0.41 -4.35 116.55 126.02 1wws n ASP 24 Ca 0.05 0.30 0.19 0.00 0.71 0.00 0.00 54.79 56.03 1wws n ASP 24 Cb 0.28 0.55 0.67 0.00 -0.02 0.00 0.00 41.12 42.61 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 0.02 -0.51 0.64 3.38 -1.46 -1.80 115.31 115.58 1wws h LEU 25 Ca -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1wws h LEU 25 Cb 1.18 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1wws h LEU 25 CO 0.01 0.01 0.21 0.50 0.09 0.00 0.00 178.44 179.26 1wws h LYS 26 N 0.03 0.76 -0.35 1.13 1.63 -1.77 0.17 116.57 118.16 1wws h LYS 26 Ca 0.23 -0.13 -0.12 0.00 -0.85 0.00 0.00 60.65 59.77 1wws h LYS 26 Cb 0.90 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 1wws h LYS 26 CO -0.01 0.67 -0.26 -0.09 -3.45 0.00 0.00 179.45 176.31 1wws h ARG 27 N 0.68 0.80 -0.33 1.90 9.65 -1.64 -2.71 114.38 122.73 1wws h ARG 27 Ca 0.17 -0.39 -0.00 0.00 -1.10 0.00 0.00 59.98 58.66 1wws h ARG 27 Cb 0.19 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 1wws h ARG 27 CO -0.01 1.02 0.19 0.28 2.80 0.00 0.00 179.97 184.24 1wws h VAL 28 N 0.59 1.13 0.02 0.20 2.07 -1.17 -1.69 116.25 117.39 1wws h VAL 28 Ca 0.07 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1wws h VAL 28 Cb 0.83 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1wws h VAL 28 CO 0.07 0.13 -0.17 -1.28 0.02 0.00 0.00 177.57 176.33 1wws h SER 29 N 0.41 -0.49 -0.57 0.57 0.87 -0.94 -0.90 113.55 112.50 1wws h SER 29 Ca 0.12 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1wws h SER 29 Cb 0.04 0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1wws h SER 29 CO -0.02 -0.23 0.35 0.44 -0.53 0.00 0.00 176.83 176.84 1wws h ASP 30 N -0.29 0.69 0.22 6.23 5.19 -1.37 0.27 116.42 127.35 1wws h ASP 30 Ca 0.05 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1wws h ASP 30 Cb 0.35 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1wws h ASP 30 CO -0.15 0.53 -0.10 0.15 -3.12 0.00 0.00 179.24 176.54 1wws h PHE 31 N 0.80 -0.27 -0.09 4.55 3.57 -0.87 -1.11 116.94 123.51 1wws h PHE 31 Ca 0.21 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 1wws h PHE 31 Cb -0.04 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1wws h PHE 31 CO 0.00 0.10 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.87 1wws h LEU 32 N -0.73 0.16 -0.62 0.59 3.38 -1.07 -1.45 115.31 115.57 1wws h LEU 32 Ca -0.03 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1wws h LEU 32 Cb 0.50 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1wws h LEU 32 CO 0.05 0.41 0.24 -0.09 0.09 0.00 0.00 178.44 179.14 1wws h ARG 33 N 0.15 0.93 -0.61 1.13 1.12 -0.42 0.23 114.38 116.91 1wws h ARG 33 Ca 0.02 -0.18 -0.02 0.00 -1.11 0.00 0.00 59.98 58.69 1wws h ARG 33 Cb 0.52 -0.15 -0.03 0.00 -0.01 0.00 0.00 29.97 30.31 1wws h ARG 33 CO 0.04 0.80 0.29 -0.91 -3.11 0.00 0.00 179.97 177.08 1wws h ASN 34 N 0.87 0.80 -0.70 -3.80 2.35 -0.48 -0.51 115.58 114.11 1wws h ASN 34 Ca 0.20 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 1wws h ASN 34 Cb 0.22 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1wws h ASN 34 CO -0.01 0.71 0.29 0.11 -1.65 0.00 0.00 177.43 176.88 1wws h LYS 35 N 0.84 1.04 -0.66 0.81 1.79 -0.79 -0.14 116.57 119.46 1wws h LYS 35 Ca 0.21 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.46 1wws h LYS 35 Cb 0.12 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.57 1wws h LYS 35 CO -0.03 0.85 0.25 1.25 -1.08 0.00 0.00 179.45 180.69 1wws h LEU 36 N 1.00 0.93 -0.68 2.94 5.85 -0.62 -1.88 115.31 122.84 1wws h LEU 36 Ca 0.24 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1wws h LEU 36 Cb 0.19 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1wws h LEU 36 CO -0.02 0.86 0.27 0.22 -0.34 0.00 0.00 178.44 179.42 1wws h TYR 37 N 0.94 1.04 0.00 1.25 3.20 -0.72 -2.24 116.97 120.45 1wws h TYR 37 Ca 0.22 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 1wws h TYR 37 Cb 0.23 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1wws h TYR 37 CO 0.02 0.81 -0.18 -0.44 -1.64 0.00 0.00 178.16 176.73 1wws h ASP 38 N 0.97 0.00 -0.42 -2.11 3.32 -0.53 0.23 116.42 117.88 1wws h ASP 38 Ca 0.23 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 1wws h ASP 38 Cb 0.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1wws h ASP 38 CO -0.02 0.18 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.50 1wws h LEU 39 N 0.00 0.83 -0.93 1.55 3.38 -0.79 -2.21 115.31 117.14 1wws h LEU 39 Ca -0.00 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 1wws h LEU 39 Cb 0.35 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1wws h LEU 39 CO 0.02 1.01 -0.36 -0.07 0.09 0.00 0.00 178.44 179.13 1wws h LEU 40 N 0.64 0.35 -0.49 1.67 3.38 -0.68 -0.54 115.31 119.64 1wws h LEU 40 Ca 0.10 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1wws h LEU 40 Cb 0.65 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1wws h LEU 40 CO 0.04 0.69 -0.04 0.00 0.09 0.00 0.00 178.44 179.22 1wws h ALA 41 N 1.33 0.66 -0.29 1.53 0.00 -0.45 -0.79 119.26 121.26 1wws h ALA 41 Ca 0.03 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1wws h ALA 41 Cb 0.77 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1wws h ALA 41 CO 0.06 0.51 -0.35 0.28 0.00 0.00 0.00 179.25 179.75 1wws h VAL 42 N 0.75 1.29 -0.78 0.00 2.07 -1.25 -2.75 116.25 115.58 1wws h VAL 42 Ca 0.13 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 1wws h VAL 42 Cb 0.57 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1wws h VAL 42 CO 0.03 0.48 0.41 0.00 0.02 0.00 0.00 177.57 178.52 1wws h ALA 43 N 1.07 1.00 -0.70 1.67 0.00 -0.75 -0.64 119.26 120.91 1wws h ALA 43 Ca 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1wws h ALA 43 Cb 0.86 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1wws h ALA 43 CO 0.07 0.52 0.47 1.49 0.00 0.00 0.00 179.25 181.80 1wws h GLU 44 N 1.08 0.92 -0.73 0.00 4.81 -0.96 0.84 114.58 120.54 1wws h GLU 44 Ca 0.27 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1wws h GLU 44 Cb 0.06 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 1wws h GLU 44 CO -0.04 0.61 0.24 -0.09 -0.73 0.00 0.00 179.01 179.00 1wws h ARG 45 N 0.95 1.12 -0.33 1.92 2.43 -1.12 -2.24 114.38 117.11 1wws h ARG 45 Ca 0.26 -0.23 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 1wws h ARG 45 Cb -0.10 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.27 1wws h ARG 45 CO -0.06 0.94 -0.35 -0.91 -1.51 0.00 0.00 179.97 178.08 1wws h ASN 46 N 1.08 0.77 -0.52 -3.80 2.35 -0.53 -1.54 115.58 113.39 1wws h ASN 46 Ca 0.24 -0.33 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1wws h ASN 46 Cb 0.28 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1wws h ASN 46 CO -0.01 1.05 0.21 0.00 -1.65 0.00 0.00 177.43 177.02 1wws h ALA 47 N 1.00 0.68 -0.40 -0.83 0.00 -0.54 -1.46 119.26 117.70 1wws h ALA 47 Ca 0.06 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1wws h ALA 47 Cb 0.88 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1wws h ALA 47 CO 0.08 0.29 -0.18 0.87 0.00 0.00 0.00 179.25 180.31 1wws h LYS 48 N 0.70 0.76 -0.67 0.00 1.57 -1.34 0.21 116.57 117.79 1wws h LYS 48 Ca 0.17 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1wws h LYS 48 Cb 0.20 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1wws h LYS 48 CO -0.01 0.89 0.35 -0.92 -0.57 0.00 0.00 179.45 179.18 1wws h TYR 49 N 0.68 0.92 -0.27 -1.35 5.03 -0.93 -1.40 116.97 119.65 1wws h TYR 49 Ca 0.10 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.39 1wws h TYR 49 Cb 0.67 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.65 1wws h TYR 49 CO 0.03 0.65 0.00 0.09 -1.32 0.00 0.00 178.16 177.62 1wws n ASN 50 N -4.36 1.56 -2.01 -2.11 3.02 -0.58 -4.93 115.26 105.85 1wws n ASN 50 Ca 0.06 -1.95 -0.13 0.00 -0.03 0.00 0.00 54.58 52.53 1wws n ASN 50 Cb 0.11 -0.18 0.03 0.00 -0.61 0.00 0.00 39.78 39.13 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 0.99 0.01 3.59 7.41 0.00 -0.53 -5.04 105.19 111.62 1wws n GLY 51 Ca 0.11 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.39 2.11 -0.07 1.61 0.52 0.03 -5.02 118.95 112.75 1wws s ARG 52 Ca 0.23 -1.29 0.19 0.00 -0.52 0.00 0.00 55.73 54.34 1wws s ARG 52 Cb -0.10 -2.16 0.63 0.00 0.52 0.00 0.00 34.95 33.84 1wws s ARG 52 CO 0.29 0.42 1.54 -0.25 0.02 0.00 0.00 175.30 177.32 1wws n ASP 53 N -0.14 4.23 -3.72 0.23 10.43 -1.26 -4.23 116.55 122.09 1wws n ASP 53 Ca -0.10 -2.28 -0.14 0.00 2.57 0.00 0.00 54.79 54.85 1wws n ASP 53 Cb 0.56 -0.50 -0.09 0.00 1.84 0.00 0.00 41.12 42.93 1wws n ASP 53 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1wws s LEU 54 N -1.52 0.53 -0.14 0.64 2.96 -1.26 -4.48 118.68 115.41 1wws s LEU 54 Ca 0.46 0.45 -0.19 0.00 -0.22 0.00 0.00 54.13 54.64 1wws s LEU 54 Cb 0.28 1.45 -0.04 0.00 0.50 0.00 0.00 46.19 48.38 1wws s LEU 54 CO 0.25 -0.34 0.52 -0.63 -1.32 0.00 0.00 176.35 174.84 1wws s ILE 55 N -0.68 5.14 0.40 6.68 1.01 -0.75 -4.88 121.20 128.12 1wws s ILE 55 Ca -0.08 1.02 0.08 0.00 0.00 0.00 0.00 60.65 61.67 1wws s ILE 55 Cb -0.04 -3.86 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 1wws s ILE 55 CO 0.03 0.26 0.11 -0.36 0.00 0.00 0.00 174.94 174.99 1wws s PHE 56 N 1.00 2.58 0.26 3.97 0.08 -1.26 -0.16 117.98 124.45 1wws s PHE 56 Ca 0.27 -0.57 -0.02 0.00 0.12 0.00 0.00 56.93 56.73 1wws s PHE 56 Cb -0.15 -1.82 0.47 0.00 -0.57 0.00 0.00 43.02 40.94 1wws s PHE 56 CO 0.11 0.30 1.81 1.49 -0.10 0.00 0.00 175.22 178.82 1wws h GLU 57 N 1.57 0.79 -0.01 0.44 4.81 -1.96 -1.55 114.58 118.67 1wws h GLU 57 Ca -0.43 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1wws h GLU 57 Cb 1.25 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 1wws h GLU 57 CO 0.71 0.52 0.04 -1.35 -0.73 0.00 0.00 179.01 178.20 1wws h PRO 58 N 0.81 0.00 0.00 0.92 0.11 -2.01 -1.01 132.00 130.82 1wws h PRO 58 Ca 0.44 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.48 1wws h PRO 58 Cb 0.46 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1wws h PRO 58 CO -0.28 0.00 -0.34 -0.44 -0.21 0.00 0.00 178.00 176.73 1wws h ASP 59 N 0.00 0.00 -3.14 -2.05 3.32 -1.61 -3.43 116.42 109.51 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 0.08 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.64 1wws h ASP 59 CO -0.00 0.34 0.61 -0.76 -1.72 0.00 0.00 179.24 177.71 1wws s LEU 60 N -7.38 4.37 -1.30 1.55 1.43 -0.39 -3.59 118.68 113.37 1wws s LEU 60 Ca -0.01 2.09 -0.18 0.00 -1.03 0.00 0.00 54.13 54.99 1wws s LEU 60 Cb 0.12 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.82 1wws s LEU 60 CO 0.68 -0.52 1.78 -0.81 0.23 0.00 0.00 176.35 177.71 1wws n PRO 61 N 4.00 3.04 -3.57 1.29 -0.04 -1.26 -4.90 135.00 133.54 1wws n PRO 61 Ca 0.10 -3.17 -0.41 0.00 -0.04 0.00 0.00 63.50 59.98 1wws n PRO 61 Cb 0.45 -3.51 -0.10 0.00 -0.04 0.00 0.00 33.50 30.30 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 4.79 4.48 0.72 0.52 1.01 -1.26 -5.06 121.20 126.41 1wws s ILE 62 Ca 0.55 -1.16 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 1wws s ILE 62 Cb 0.04 -3.64 0.02 0.00 0.01 0.00 0.00 42.46 38.89 1wws s ILE 62 CO 0.08 -0.41 1.07 0.00 0.00 0.00 0.00 174.94 175.67 1wws s ALA 63 N 1.50 2.54 0.27 9.38 0.00 -1.26 -4.81 121.76 129.39 1wws s ALA 63 Ca 0.03 0.08 -0.00 0.00 0.00 0.00 0.00 51.96 52.07 1wws s ALA 63 Cb -0.22 -3.19 0.61 0.00 0.00 0.00 0.00 23.12 20.33 1wws s ALA 63 CO 0.04 -1.39 1.68 -0.22 0.00 0.00 0.00 175.76 175.87 1wws h LYS 64 N -0.84 0.29 -0.37 0.00 3.64 -1.99 -1.62 116.57 115.68 1wws h LYS 64 Ca -0.44 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1wws h LYS 64 Cb 1.22 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1wws h LYS 64 CO 0.56 0.19 0.24 0.78 -2.27 0.00 0.00 179.45 178.96 1wws h GLY 65 N 0.30 0.52 1.80 5.01 0.00 -2.00 -1.39 103.07 107.32 1wws h GLY 65 Ca 0.50 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.56 1wws h GLY 65 CO -0.55 0.19 -0.22 -2.00 0.00 0.00 0.00 176.54 173.96 1wws h LEU 66 N 0.50 0.24 -0.62 3.11 5.85 -1.71 -1.42 115.31 121.26 1wws h LEU 66 Ca 0.14 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 1wws h LEU 66 Cb -0.05 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1wws h LEU 66 CO -0.03 0.47 0.14 -0.61 -0.34 0.00 0.00 178.44 178.07 1wws h GLN 67 N 0.23 1.01 -0.21 1.25 5.75 -0.75 0.72 115.11 123.10 1wws h GLN 67 Ca 0.04 -0.25 -0.12 0.00 -0.15 0.00 0.00 58.65 58.17 1wws h GLN 67 Cb 0.52 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 1wws h GLN 67 CO 0.03 0.93 -0.36 1.49 -2.65 0.00 0.00 178.83 178.27 1wws h GLU 68 N 0.92 0.46 0.00 1.69 4.81 -0.83 -2.12 114.58 119.51 1wws h GLU 68 Ca 0.19 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 1wws h GLU 68 Cb 0.38 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1wws h GLU 68 CO 0.01 0.76 -0.50 1.15 -0.73 0.00 0.00 179.01 179.70 1wws h THR 69 N 0.39 1.35 -0.56 0.32 2.02 -0.77 -1.14 112.91 114.51 1wws h THR 69 Ca 0.04 -1.71 -0.11 0.00 0.77 0.00 0.00 66.41 65.40 1wws h THR 69 Cb 0.81 1.92 -0.02 0.00 -1.74 0.00 0.00 68.15 69.13 1wws h THR 69 CO 0.07 0.49 -0.08 0.25 0.37 0.00 0.00 175.52 176.61 1wws h LEU 70 N 0.00 1.04 -0.74 2.58 5.85 -0.27 -1.72 115.31 122.04 1wws h LEU 70 Ca -0.00 -0.33 -0.13 0.00 0.84 0.00 0.00 57.88 58.25 1wws h LEU 70 Cb 0.88 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1wws h LEU 70 CO 0.06 1.13 -0.49 1.56 -0.34 0.00 0.00 178.44 180.37 1wws h GLN 71 N 0.93 0.34 -0.98 1.25 4.20 -0.98 -2.14 115.11 117.74 1wws h GLN 71 Ca 0.15 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1wws h GLN 71 Cb 0.65 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.39 1wws h GLN 71 CO 0.04 0.76 0.63 0.93 -0.67 0.00 0.00 178.83 180.52 1wws h GLU 72 N 0.27 1.31 -0.57 1.46 4.39 -0.86 -0.90 114.58 119.68 1wws h GLU 72 Ca 0.01 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 1wws h GLU 72 Cb 0.96 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 1wws h GLU 72 CO 0.08 0.89 0.08 0.35 -1.16 0.00 0.00 179.01 179.25 1wws h PHE 73 N 1.34 1.02 0.00 4.33 3.57 -0.94 -2.44 116.94 123.83 1wws h PHE 73 Ca 0.36 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 1wws h PHE 73 Cb -0.11 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.34 1wws h PHE 73 CO 0.00 0.90 -0.18 0.00 -2.23 0.00 0.00 178.31 176.81 1wws h ARG 74 N 0.85 0.00 -2.91 1.11 3.08 -0.77 -3.35 114.38 112.40 1wws h ARG 74 Ca 0.17 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.50 1wws h ARG 74 Cb 0.44 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.42 1wws h ARG 74 CO 0.01 0.18 2.88 0.54 -1.07 0.00 0.00 179.97 182.51 1wws n ARG 75 N -3.76 4.12 0.00 0.04 1.74 -0.40 -4.78 116.66 113.62 1wws n ARG 75 Ca -0.02 -3.02 0.00 0.00 -0.77 0.00 0.00 57.85 54.04 1wws n ARG 75 Cb 0.29 -2.75 0.00 0.00 -1.02 0.00 0.00 32.46 28.97 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 2.79 0.00 -3.21 0.55 8.00 -1.26 -5.03 116.55 118.39 1wws n ASP 77 Ca 0.65 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.91 1wws n ASP 77 Cb 0.26 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.30 1wws n ASP 77 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1wws n THR 78 N 0.00 0.44 -1.68 -3.53 -1.04 -1.26 -5.10 114.28 102.11 1wws n THR 78 Ca 0.00 -4.56 -0.55 0.00 -2.04 0.00 0.00 64.05 56.90 1wws n THR 78 Cb 0.00 -1.53 -0.07 0.00 -1.82 0.00 0.00 70.33 66.91 1wws n THR 78 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wws n ALA 79 N 0.86 -0.25 -2.80 2.41 0.00 -1.26 -4.96 120.51 114.52 1wws n ALA 79 Ca 0.25 0.41 -0.36 0.00 0.00 0.00 0.00 53.44 53.74 1wws n ALA 79 Cb 0.52 -2.22 -0.08 0.00 0.00 0.00 0.00 19.45 17.68 1wws n ALA 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wws s LEU 80 N 2.81 4.01 0.66 0.00 1.43 -1.26 -5.08 118.68 121.25 1wws s LEU 80 Ca 0.94 0.28 -0.16 0.00 -1.03 0.00 0.00 54.13 54.16 1wws s LEU 80 Cb -1.00 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 43.25 1wws s LEU 80 CO 0.59 0.34 1.19 -1.61 0.23 0.00 0.00 176.35 177.09 1wws s GLU 81 N -0.65 2.60 -0.14 1.70 2.02 -1.26 -4.90 118.70 118.08 1wws s GLU 81 Ca 0.12 1.70 -0.29 0.00 0.02 0.00 0.00 54.97 56.53 1wws s GLU 81 Cb -0.12 -1.90 -0.26 0.00 0.10 0.00 0.00 34.13 31.96 1wws s GLU 81 CO 0.02 -1.47 0.76 1.25 0.02 0.00 0.00 175.26 175.85 1wws h LEU 82 N 0.23 0.02 -0.85 1.80 7.12 -1.97 -3.39 115.31 118.27 1wws h LEU 82 Ca -0.48 -0.99 0.21 0.00 0.13 0.00 0.00 57.88 56.75 1wws h LEU 82 Cb 1.29 -0.01 -0.15 0.00 -0.53 0.00 0.00 40.66 41.26 1wws h LEU 82 CO 0.53 1.03 0.09 0.50 -0.13 0.00 0.00 178.44 180.46 1wws h LYS 83 N -0.97 0.12 -0.60 1.25 3.64 -1.97 -1.68 116.57 116.36 1wws h LYS 83 Ca -0.01 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1wws h LYS 83 Cb 1.04 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.78 1wws h LYS 83 CO 0.00 0.08 0.33 -1.35 -2.27 0.00 0.00 179.45 176.24 1wws h PRO 84 N 0.12 0.61 -0.29 1.90 0.11 -1.85 0.10 132.00 132.71 1wws h PRO 84 Ca 0.50 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.50 1wws h PRO 84 Cb 0.97 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 1wws h PRO 84 CO -0.72 0.41 -0.11 0.28 -0.21 0.00 0.00 178.00 177.64 1wws h VAL 85 N 0.63 1.29 -0.37 3.15 2.07 -1.42 -1.25 116.25 120.35 1wws h VAL 85 Ca 0.26 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 1wws h VAL 85 Cb 0.13 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1wws h VAL 85 CO -0.15 0.38 0.17 -0.07 0.02 0.00 0.00 177.57 177.91 1wws h LEU 86 N 0.34 0.49 -1.32 2.57 4.07 -1.14 0.44 115.31 120.77 1wws h LEU 86 Ca 0.07 -0.14 -0.04 0.00 0.08 0.00 0.00 57.88 57.85 1wws h LEU 86 Cb 0.62 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 1wws h LEU 86 CO 0.04 0.49 0.01 0.44 -1.08 0.00 0.00 178.44 178.35 1wws h ASP 87 N 0.46 0.44 -0.14 -0.43 3.32 -0.76 0.18 116.42 119.49 1wws h ASP 87 Ca 0.13 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1wws h ASP 87 Cb 0.14 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1wws h ASP 87 CO -0.01 0.49 -0.05 0.00 -1.72 0.00 0.00 179.24 177.95 1wws h ALA 88 N 1.57 0.19 -0.03 3.45 0.00 -0.74 -3.06 119.26 120.65 1wws h ALA 88 Ca 0.10 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1wws h ALA 88 Cb 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1wws h ALA 88 CO 0.01 -0.03 -0.35 -0.07 0.00 0.00 0.00 179.25 178.81 1wws h LEU 89 N -0.04 0.05 -1.05 0.00 3.38 -0.51 -2.78 115.31 114.36 1wws h LEU 89 Ca 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1wws h LEU 89 Cb 0.50 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1wws h LEU 89 CO 0.02 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.94 1wws n ALA 90 N -2.47 1.36 0.56 1.53 0.00 0.61 -1.55 120.51 120.55 1wws n ALA 90 Ca -0.02 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1wws n ALA 90 Cb 0.39 -1.35 0.45 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.78 1.94 -2.47 0.00 0.00 -1.05 -4.77 120.51 112.39 1wws n ALA 91 Ca 0.00 0.01 -0.20 0.00 0.00 0.00 0.00 53.44 53.26 1wws n ALA 91 Cb 0.13 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 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 -4.09 3.86 0.24 0.00 1.43 -0.60 -5.06 118.68 114.46 1wws s LEU 92 Ca 0.08 -0.28 -0.31 0.00 -1.03 0.00 0.00 54.13 52.59 1wws s LEU 92 Cb 0.11 -2.60 -0.14 0.00 0.03 0.00 0.00 46.19 43.60 1wws s LEU 92 CO 0.46 -0.42 1.36 -2.65 0.23 0.00 0.00 176.35 175.32 1wws n PRO 93 N -1.57 1.90 -1.37 1.29 -0.02 -1.26 -4.94 135.00 129.02 1wws n PRO 93 Ca -0.00 0.67 -0.33 0.00 -2.02 0.00 0.00 63.50 61.82 1wws n PRO 93 Cb 0.59 -2.30 0.09 0.00 -0.02 0.00 0.00 33.50 31.86 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 -0.50 2.11 0.56 0.52 0.02 -1.26 -5.01 135.00 131.44 1wws s PRO 94 Ca 0.68 1.61 -0.07 0.00 0.02 0.00 0.00 61.00 63.25 1wws s PRO 94 Cb -0.68 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 31.99 1wws s PRO 94 CO 0.51 -1.83 0.89 -0.51 -0.33 0.00 0.00 177.00 175.73 1wws s LEU 95 N -5.37 3.35 0.45 -5.54 1.43 -1.26 -4.98 118.68 106.77 1wws s LEU 95 Ca 0.71 0.92 0.25 0.00 -1.03 0.00 0.00 54.13 54.98 1wws s LEU 95 Cb -0.26 -3.82 0.64 0.00 0.03 0.00 0.00 46.19 42.78 1wws s LEU 95 CO 0.47 -0.88 1.71 0.44 0.23 0.00 0.00 176.35 178.32 1wws h ASP 96 N -0.09 0.00 -3.93 2.29 3.32 -1.98 -3.45 116.42 112.59 1wws h ASP 96 Ca -0.46 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.00 1wws h ASP 96 Cb 1.23 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.57 1wws h ASP 96 CO 0.61 0.09 -0.83 -0.76 -1.72 0.00 0.00 179.24 176.64 1wws s LEU 97 N -6.30 2.34 0.62 1.55 1.43 -1.26 -5.12 118.68 111.94 1wws s LEU 97 Ca 0.04 -0.75 -0.09 0.00 -1.03 0.00 0.00 54.13 52.31 1wws s LEU 97 Cb 0.07 -0.99 -0.00 0.00 0.03 0.00 0.00 46.19 45.30 1wws s LEU 97 CO 0.64 0.08 0.98 -1.61 0.23 0.00 0.00 176.35 176.68 1wws s GLU 98 N -2.15 3.07 0.15 1.70 2.02 -1.26 -4.87 118.70 117.36 1wws s GLU 98 Ca 0.11 0.30 0.05 0.00 0.02 0.00 0.00 54.97 55.45 1wws s GLU 98 Cb -0.09 -2.16 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 1wws s GLU 98 CO 0.06 -0.75 0.13 0.14 0.02 0.00 0.00 175.26 174.86 1wws s VAL 99 N -3.13 4.54 0.76 2.63 -7.23 -1.26 -1.80 120.40 114.91 1wws s VAL 99 Ca 0.55 -1.00 -0.14 0.00 -1.81 0.00 0.00 61.98 59.58 1wws s VAL 99 Cb -0.11 -3.29 0.06 0.00 0.56 0.00 0.00 36.38 33.60 1wws s VAL 99 CO 0.49 -0.06 1.18 0.00 -0.31 0.00 0.00 175.10 176.40 1wws s ALA 100 N -1.68 2.03 0.22 1.32 0.00 0.77 -4.79 121.76 119.63 1wws s ALA 100 Ca 0.31 0.75 -0.07 0.00 0.00 0.00 0.00 51.96 52.95 1wws s ALA 100 Cb -0.11 -3.44 0.30 0.00 0.00 0.00 0.00 23.12 19.87 1wws s ALA 100 CO 0.23 -2.00 1.81 0.93 0.00 0.00 0.00 175.76 176.73 1wws h GLU 101 N -0.64 0.69 -0.25 0.00 4.39 -1.99 -1.28 114.58 115.49 1wws h GLU 101 Ca -0.46 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.17 1wws h GLU 101 Cb 1.28 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1wws h GLU 101 CO 0.48 0.46 0.04 -0.44 -1.16 0.00 0.00 179.01 178.39 1wws h ASP 102 N 0.71 0.33 -0.17 1.42 3.32 -1.96 -2.27 116.42 117.80 1wws h ASP 102 Ca 0.33 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 1wws h ASP 102 Cb 0.26 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1wws h ASP 102 CO -0.21 0.36 -0.25 0.58 -1.72 0.00 0.00 179.24 178.00 1wws h VAL 103 N 0.36 1.34 -0.85 -1.35 2.07 -1.60 -2.69 116.25 113.54 1wws h VAL 103 Ca 0.09 -1.46 0.08 0.00 0.82 0.00 0.00 66.70 66.23 1wws h VAL 103 Cb 0.18 1.88 -0.07 0.00 -1.52 0.00 0.00 31.29 31.76 1wws h VAL 103 CO 0.00 0.44 0.51 -0.09 0.02 0.00 0.00 177.57 178.45 1wws h ARG 104 N 0.12 0.87 0.00 1.57 2.43 -0.88 -1.23 114.38 117.25 1wws h ARG 104 Ca 0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1wws h ARG 104 Cb 0.81 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1wws h ARG 104 CO 0.06 0.57 0.00 0.09 -1.51 0.00 0.00 179.97 179.18 1wws n ASN 105 N -4.67 0.80 0.09 -3.80 3.02 -0.89 -3.05 115.26 106.75 1wws n ASN 105 Ca 0.13 0.60 -0.01 0.00 -0.03 0.00 0.00 54.58 55.27 1wws n ASN 105 Cb 0.23 -0.81 -0.04 0.00 -0.61 0.00 0.00 39.78 38.55 1wws n ASN 105 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1wws h LEU 106 N 0.00 0.00 -0.68 3.41 5.85 -0.89 -3.37 115.31 119.63 1wws h LEU 106 Ca 0.00 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.85 1wws h LEU 106 Cb 0.65 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.59 1wws h LEU 106 CO 0.00 0.66 0.21 -0.07 -0.34 0.00 0.00 178.44 178.90 1wws h LEU 107 N 0.00 0.14 -1.14 2.25 3.38 -1.34 -0.11 115.31 118.48 1wws h LEU 107 Ca -0.06 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1wws h LEU 107 Cb 1.55 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.40 1wws h LEU 107 CO 0.08 0.05 0.27 -0.65 0.09 0.00 0.00 178.44 178.28 1wws h PRO 108 N 0.35 0.87 -0.21 1.13 0.11 -1.77 -0.94 132.00 131.54 1wws h PRO 108 Ca 0.37 -0.12 -0.14 0.00 0.11 0.00 0.00 66.00 66.22 1wws h PRO 108 Cb 0.55 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1wws h PRO 108 CO -0.41 0.69 -0.45 0.93 -0.21 0.00 0.00 178.00 178.56 1wws h GLU 109 N 0.86 0.52 -0.49 1.05 5.08 -1.42 -2.23 114.58 117.95 1wws h GLU 109 Ca 0.21 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1wws h GLU 109 Cb 0.13 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1wws h GLU 109 CO -0.02 0.87 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.71 1wws h LEU 110 N 0.42 0.86 -0.71 1.33 3.38 -0.49 0.30 115.31 120.40 1wws h LEU 110 Ca 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1wws h LEU 110 Cb 0.95 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1wws h LEU 110 CO 0.08 0.97 0.42 0.00 0.09 0.00 0.00 178.44 180.01 1wws h ALA 111 N 1.11 0.91 -0.48 1.53 0.00 -0.95 0.19 119.26 121.57 1wws h ALA 111 Ca 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1wws h ALA 111 Cb 0.58 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1wws h ALA 111 CO 0.04 0.39 0.22 0.78 0.00 0.00 0.00 179.25 180.68 1wws h GLY 112 N 0.98 0.75 1.05 0.00 0.00 -0.89 -0.66 103.07 104.30 1wws h GLY 112 Ca 0.26 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1wws h GLY 112 CO -0.05 0.36 0.47 0.00 0.00 0.00 0.00 176.54 177.32 1wws h ALA 113 N 1.07 1.16 -0.71 3.60 0.00 -0.29 -0.77 119.26 123.31 1wws h ALA 113 Ca 0.16 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1wws h ALA 113 Cb 0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1wws h ALA 113 CO -0.02 0.66 0.17 -0.07 0.00 0.00 0.00 179.25 179.99 1wws h LEU 114 N 1.24 1.09 -0.75 0.00 3.38 -0.24 -0.51 115.31 119.51 1wws h LEU 114 Ca 0.31 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1wws h LEU 114 Cb 0.05 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1wws h LEU 114 CO -0.05 1.04 0.23 0.58 0.09 0.00 0.00 178.44 180.33 1wws h VAL 115 N 1.09 1.26 -0.49 1.22 2.07 -0.47 0.82 116.25 121.75 1wws h VAL 115 Ca 0.22 -0.92 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1wws h VAL 115 Cb 0.38 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1wws h VAL 115 CO 0.00 0.36 0.02 0.58 0.02 0.00 0.00 177.57 178.56 1wws h VAL 116 N 1.12 1.26 -0.43 2.57 2.07 -0.74 0.14 116.25 122.24 1wws h VAL 116 Ca 0.24 -1.03 -0.14 0.00 0.82 0.00 0.00 66.70 66.60 1wws h VAL 116 Cb 0.32 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1wws h VAL 116 CO -0.01 0.36 -0.27 0.00 0.02 0.00 0.00 177.57 177.67 1wws h ALA 117 N 0.94 0.71 -0.17 1.67 0.00 -0.91 -1.59 119.26 119.91 1wws h ALA 117 Ca 0.14 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1wws h ALA 117 Cb 0.48 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1wws h ALA 117 CO 0.02 0.67 0.05 -0.92 0.00 0.00 0.00 179.25 179.07 1wws h TYR 118 N 0.77 0.27 -0.47 0.00 5.03 -0.63 -0.53 116.97 121.41 1wws h TYR 118 Ca 0.09 -0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.40 1wws h TYR 118 Cb 0.83 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 39.00 1wws h TYR 118 CO 0.05 0.38 0.28 0.00 -1.32 0.00 0.00 178.16 177.55 1wws h ALA 119 N 0.86 0.60 0.00 1.82 0.00 -0.65 -1.83 119.26 120.06 1wws h ALA 119 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1wws h ALA 119 Cb 0.24 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1wws h ALA 119 CO -0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 179.25 179.10 1wws h ARG 120 N 0.55 0.00 -0.17 0.00 3.08 -1.11 -1.95 114.38 114.79 1wws h ARG 120 Ca 0.19 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.10 1wws h ARG 120 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1wws h ARG 120 CO -0.09 0.12 -0.44 0.28 -1.07 0.00 0.00 179.97 178.76 1wws h VAL 121 N 0.00 1.34 -0.60 2.04 2.07 -0.31 -2.41 116.25 118.39 1wws h VAL 121 Ca -0.00 -1.69 0.01 0.00 0.82 0.00 0.00 66.70 65.84 1wws h VAL 121 Cb 0.51 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1wws h VAL 121 CO 0.02 0.52 0.40 -0.07 0.02 0.00 0.00 177.57 178.45 1wws h LEU 122 N 0.26 0.67 -0.84 2.57 3.38 -0.82 -2.04 115.31 118.49 1wws h LEU 122 Ca -0.01 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1wws h LEU 122 Cb 1.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1wws h LEU 122 CO 0.10 0.48 -0.24 0.50 0.09 0.00 0.00 178.44 179.37 1wws h LYS 123 N 0.79 0.60 -0.14 1.13 3.64 -1.17 -2.88 116.57 118.55 1wws h LYS 123 Ca 0.22 -0.23 -0.22 0.00 -1.27 0.00 0.00 60.65 59.14 1wws h LYS 123 Cb -0.07 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1wws h LYS 123 CO -0.05 0.79 -0.80 0.93 -2.27 0.00 0.00 179.45 178.05 1wws h GLU 124 N 0.53 0.76 -0.50 1.90 4.39 -0.91 -2.18 114.58 118.57 1wws h GLU 124 Ca 0.08 -0.64 0.05 0.00 0.34 0.00 0.00 59.36 59.19 1wws h GLU 124 Cb 0.69 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.44 1wws h GLU 124 CO 0.05 1.24 0.24 -0.07 -1.16 0.00 0.00 179.01 179.31 1wws h LEU 125 N 0.51 0.33 -6.57 1.33 3.38 -1.32 -3.36 115.31 109.62 1wws h LEU 125 Ca -0.06 0.03 -0.59 0.00 0.09 0.00 0.00 57.88 57.36 1wws h LEU 125 Cb 1.43 -0.03 -0.39 0.00 0.09 0.00 0.00 40.66 41.76 1wws h LEU 125 CO 0.16 0.23 -0.87 -1.81 0.09 0.00 0.00 178.44 176.25 1wws s ASP 126 N -5.47 2.66 0.42 -0.43 -0.00 -1.09 -5.01 116.67 107.74 1wws s ASP 126 Ca -0.13 -2.47 0.20 0.00 -0.00 0.00 0.00 52.55 50.15 1wws s ASP 126 Cb 0.14 -0.48 1.14 0.00 -0.00 0.00 0.00 42.92 43.71 1wws s ASP 126 CO 0.73 -0.27 1.79 -0.65 -0.00 0.00 0.00 175.17 176.78 1wws h PRO 127 N 6.62 0.35 0.00 8.23 0.11 -1.54 0.38 132.00 146.15 1wws h PRO 127 Ca 0.11 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1wws h PRO 127 Cb 0.95 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1wws h PRO 127 CO 0.32 0.23 -0.11 0.00 -0.21 0.00 0.00 178.00 178.23 1wws n ALA 128 N -2.51 2.42 -1.77 -0.75 0.00 -1.26 -4.89 120.51 111.75 1wws n ALA 128 Ca 0.24 -0.08 -0.39 0.00 0.00 0.00 0.00 53.44 53.21 1wws n ALA 128 Cb 0.87 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.90 1wws n ALA 128 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1wws s LEU 129 N -4.20 4.17 0.00 0.00 1.98 0.12 -4.91 118.68 115.85 1wws s LEU 129 Ca 0.11 2.64 0.00 0.00 -2.89 0.00 0.00 54.13 53.99 1wws s LEU 129 Cb 0.14 -3.96 0.00 0.00 0.66 0.00 0.00 46.19 43.03 1wws s LEU 129 CO 0.61 -0.91 0.00 0.29 -1.89 0.00 0.00 176.35 174.45 1wws n LYS 130 N -0.01 3.37 -3.43 1.98 5.02 -1.26 -4.89 118.16 118.95 1wws n LYS 130 Ca 0.04 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.07 1wws n LYS 130 Cb 0.44 -0.32 -0.09 0.00 -0.02 0.00 0.00 35.03 35.04 1wws n LYS 130 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wws n ASN 131 N -0.10 1.36 -4.62 4.39 3.02 -1.26 0.48 115.26 118.54 1wws n ASN 131 Ca 0.00 -2.88 -0.41 0.00 -0.03 0.00 0.00 54.58 51.27 1wws n ASN 131 Cb 0.00 -0.65 0.02 0.00 -0.61 0.00 0.00 39.78 38.54 1wws n ASN 131 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1wws n PRO 132 N 1.76 1.31 -2.91 3.52 -0.04 -1.26 -5.00 135.00 132.38 1wws n PRO 132 Ca 0.25 0.48 -0.11 0.00 -0.04 0.00 0.00 63.50 64.07 1wws n PRO 132 Cb 0.46 -2.09 -0.02 0.00 -0.04 0.00 0.00 33.50 31.80 1wws n PRO 132 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1wws n GLN 133 N -0.07 1.54 -0.10 0.54 6.02 -1.26 -4.38 117.38 119.66 1wws n GLN 133 Ca 0.10 -1.31 -0.06 0.00 -0.01 0.00 0.00 57.00 55.72 1wws n GLN 133 Cb 0.41 0.34 0.02 0.00 1.02 0.00 0.00 30.24 32.02 1wws n GLN 133 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1wws h THR 134 N 1.06 0.82 -0.21 5.09 2.02 -1.99 -0.87 112.91 118.84 1wws h THR 134 Ca -0.15 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 66.98 1wws h THR 134 Cb 0.45 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1wws h THR 134 CO 0.25 0.04 0.14 1.05 0.37 0.00 0.00 175.52 177.36 1wws h GLU 135 N 0.20 0.23 -0.07 6.66 4.11 -1.99 0.56 114.58 124.28 1wws h GLU 135 Ca 0.17 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 59.47 1wws h GLU 135 Cb 0.19 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.40 1wws h GLU 135 CO -0.22 0.15 -0.41 0.45 0.07 0.00 0.00 179.01 179.05 1wws h HIS 136 N 0.24 0.56 -0.08 2.06 3.86 -1.71 -2.83 115.15 117.25 1wws h HIS 136 Ca 0.08 -0.25 -0.04 0.00 -1.16 0.00 0.00 60.37 59.00 1wws h HIS 136 Cb 0.03 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1wws h HIS 136 CO -0.00 1.01 -0.12 0.45 0.86 0.00 0.00 177.93 180.13 1wws h HIS 137 N -0.05 0.12 -0.35 2.45 3.86 -0.50 -1.84 115.15 118.84 1wws h HIS 137 Ca -0.03 -0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.05 1wws h HIS 137 Cb 1.07 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 1wws h HIS 137 CO 0.13 0.24 -0.28 0.93 0.86 0.00 0.00 177.93 179.81 1wws h GLU 138 N 0.11 0.73 -0.05 2.45 5.08 -0.85 -2.22 114.58 119.83 1wws h GLU 138 Ca 0.02 -0.32 -0.22 0.00 -1.00 0.00 0.00 59.36 57.84 1wws h GLU 138 Cb 0.29 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.53 1wws h GLU 138 CO 0.02 0.93 -0.87 0.00 -1.00 0.00 0.00 179.01 178.09 1wws h ARG 139 N 0.63 0.55 -0.83 2.33 3.08 -1.18 -2.76 114.38 116.19 1wws h ARG 139 Ca 0.08 -0.52 -0.00 0.00 0.07 0.00 0.00 59.98 59.60 1wws h ARG 139 Cb 0.80 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.94 1wws h ARG 139 CO 0.07 1.15 0.52 0.00 -1.07 0.00 0.00 179.97 180.63 1wws h ALA 140 N 0.69 1.34 -0.18 0.04 0.00 -1.28 -1.13 119.26 118.73 1wws h ALA 140 Ca -0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1wws h ALA 140 Cb 1.49 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1wws h ALA 140 CO 0.16 0.58 0.08 0.93 0.00 0.00 0.00 179.25 181.00 1wws h GLU 141 N 1.14 0.27 -0.93 0.00 5.08 -1.32 -0.54 114.58 118.27 1wws h GLU 141 Ca 0.30 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.64 1wws h GLU 141 Cb -0.07 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.08 1wws h GLU 141 CO -0.06 0.31 0.61 0.00 -1.00 0.00 0.00 179.01 178.88 1wws h ARG 142 N 0.16 1.19 -0.23 2.33 3.08 -1.11 0.49 114.38 120.29 1wws h ARG 142 Ca 0.06 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1wws h ARG 142 Cb 0.14 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1wws h ARG 142 CO -0.01 0.79 0.08 0.28 -1.07 0.00 0.00 179.97 180.04 1wws h VAL 143 N 1.23 1.18 -0.72 2.04 2.07 -0.98 -2.93 116.25 118.13 1wws h VAL 143 Ca 0.36 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1wws h VAL 143 Cb -0.08 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1wws h VAL 143 CO -0.10 0.18 0.45 -0.26 0.02 0.00 0.00 177.57 177.86 1wws h PHE 144 N 0.20 0.84 -0.01 1.57 0.05 -0.50 -2.26 116.94 116.84 1wws h PHE 144 Ca 0.07 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.89 1wws h PHE 144 Cb 0.20 -0.28 -0.00 0.00 2.00 0.00 0.00 35.95 37.87 1wws h PHE 144 CO -0.00 0.48 0.04 -0.91 -0.18 0.00 0.00 178.31 177.74 1wws h ASN 145 N 0.88 0.00 0.64 2.17 -0.26 -0.74 0.22 115.58 118.50 1wws h ASN 145 Ca 0.29 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.93 1wws h ASN 145 Cb 0.02 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.27 1wws h ASN 145 CO -0.11 0.00 -0.46 -0.07 -1.06 0.00 0.00 177.43 175.73 1wws h LEU 146 N 0.00 0.00 0.00 1.61 3.38 -1.31 -3.37 115.31 115.62 1wws h LEU 146 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1wws h LEU 146 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1wws h LEU 146 CO -0.00 0.46 -1.04 0.18 0.09 0.00 0.00 178.44 178.14 1wws n LEU 147 N -3.75 0.80 -0.44 1.67 4.77 -0.64 -5.16 117.00 114.25 1wws n LEU 147 Ca -0.01 -0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.02 1wws n LEU 147 Cb 0.52 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.66 1wws n LEU 147 CO 0.39 0.15 0.43 0.18 -1.33 0.00 0.00 177.39 177.20