#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wii n SER 2 N 0.00 -4.43 -3.48 1.61 3.41 -1.26 -5.00 113.62 104.48 1wii n SER 2 Ca 0.00 0.34 -0.13 0.00 -0.26 0.00 0.00 58.87 58.81 1wii n SER 2 Cb 0.00 -2.61 -0.03 0.00 -0.26 0.00 0.00 64.21 61.30 1wii n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wii s SER 3 N -4.34 -0.54 0.06 4.04 0.01 -1.26 -5.19 113.70 106.49 1wii s SER 3 Ca 0.00 0.14 -0.28 0.00 1.31 0.00 0.00 55.95 57.12 1wii s SER 3 Cb 0.00 0.56 0.09 0.00 0.21 0.00 0.00 66.02 66.88 1wii s SER 3 CO 0.00 -0.86 1.08 -0.83 0.41 0.00 0.00 173.24 173.04 1wii s GLY 4 N -2.34 -0.32 0.10 3.44 0.00 -1.26 -5.19 107.32 101.76 1wii s GLY 4 Ca -0.02 0.47 -0.01 0.00 0.00 0.00 0.00 44.72 45.16 1wii s GLY 4 CO -0.07 0.10 0.03 -1.35 0.00 0.00 0.00 173.10 171.81 1wii s SER 5 N -2.87 0.37 -0.20 1.64 1.04 -1.26 -5.14 113.70 107.28 1wii s SER 5 Ca 0.12 -1.14 -0.20 0.00 0.48 0.00 0.00 55.95 55.22 1wii s SER 5 Cb 0.01 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 1wii s SER 5 CO -0.01 -0.69 0.58 -0.94 0.98 0.00 0.00 173.24 173.16 1wii s SER 6 N -3.00 6.62 -0.16 7.02 1.04 -1.26 -5.05 113.70 118.91 1wii s SER 6 Ca 0.18 0.76 -0.08 0.00 0.48 0.00 0.00 55.95 57.29 1wii s SER 6 Cb 0.08 -2.32 0.07 0.00 0.10 0.00 0.00 66.02 63.94 1wii s SER 6 CO -0.02 -0.24 0.37 -0.83 0.98 0.00 0.00 173.24 173.50 1wii s GLY 7 N 1.20 -0.29 -0.18 7.32 0.00 -1.26 -5.14 107.32 108.97 1wii s GLY 7 Ca 0.26 1.39 -0.08 0.00 0.00 0.00 0.00 44.72 46.29 1wii s GLY 7 CO 0.10 1.84 0.40 1.09 0.00 0.00 0.00 173.10 176.53 1wii s ARG 8 N 1.80 0.33 -0.06 2.90 1.70 -1.26 -5.16 118.95 119.20 1wii s ARG 8 Ca -0.06 0.92 -0.04 0.00 -0.47 0.00 0.00 55.73 56.07 1wii s ARG 8 Cb -0.10 0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.41 1wii s ARG 8 CO -0.12 -0.22 0.12 0.15 -1.08 0.00 0.00 175.30 174.16 1wii s LYS 9 N 2.14 3.31 -0.34 3.89 1.02 -1.26 -5.05 119.74 123.45 1wii s LYS 9 Ca -0.04 -0.28 -0.29 0.00 0.02 0.00 0.00 55.97 55.38 1wii s LYS 9 Cb -0.11 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 34.14 1wii s LYS 9 CO -0.12 0.72 1.69 -1.25 -0.92 0.00 0.00 175.35 175.47 1wii s PRO 10 N -1.39 3.43 0.25 -1.68 0.04 -1.26 -4.98 135.00 129.41 1wii s PRO 10 Ca 0.20 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 1wii s PRO 10 Cb -0.12 -4.14 -0.09 0.00 0.04 0.00 0.00 34.50 30.18 1wii s PRO 10 CO 0.10 -1.74 1.27 -1.25 0.04 0.00 0.00 177.00 175.41 1wii s PRO 11 N 5.41 4.43 0.63 0.56 0.04 -1.26 -5.01 135.00 139.79 1wii s PRO 11 Ca 0.75 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 63.68 1wii s PRO 11 Cb -0.21 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.16 1wii s PRO 11 CO 0.33 -0.15 1.11 -1.25 0.04 0.00 0.00 177.00 177.09 1wii s PRO 12 N -0.84 2.94 0.07 0.56 0.04 -1.26 -5.06 135.00 131.46 1wii s PRO 12 Ca 0.52 1.44 0.05 0.00 0.04 0.00 0.00 61.00 63.05 1wii s PRO 12 Cb -0.36 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 1wii s PRO 12 CO 0.43 -1.15 -0.05 0.15 0.04 0.00 0.00 177.00 176.42 1wii s LYS 13 N -3.90 2.41 -0.23 4.56 3.01 -1.26 -5.03 119.74 119.29 1wii s LYS 13 Ca 0.68 -0.87 0.17 0.00 -1.01 0.00 0.00 55.97 54.95 1wii s LYS 13 Cb -0.21 -2.45 0.48 0.00 -1.01 0.00 0.00 37.83 34.63 1wii s LYS 13 CO 0.38 0.55 1.15 1.63 0.51 0.00 0.00 175.35 179.57 1wii n LYS 14 N 0.88 2.09 -1.49 1.68 5.02 -1.26 -5.10 118.16 119.98 1wii n LYS 14 Ca -0.13 -3.51 -0.49 0.00 -2.02 0.00 0.00 58.31 52.17 1wii n LYS 14 Cb 0.52 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 1wii n LYS 14 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1wii n LYS 15 N -0.54 0.55 -3.66 1.97 3.00 -1.26 -4.98 118.16 113.24 1wii n LYS 15 Ca 0.20 0.19 -0.09 0.00 -0.00 0.00 0.00 58.31 58.61 1wii n LYS 15 Cb 0.89 -1.44 -0.10 0.00 0.00 0.00 0.00 35.03 34.38 1wii n LYS 15 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 1wii s MET 16 N -0.87 0.31 0.01 1.64 1.75 -1.26 -5.16 119.30 115.73 1wii s MET 16 Ca 0.68 0.99 -0.01 0.00 -1.25 0.00 0.00 55.69 56.11 1wii s MET 16 Cb -0.91 0.28 -0.01 0.00 2.84 0.00 0.00 34.83 37.03 1wii s MET 16 CO 0.56 -0.25 -0.00 0.95 -0.65 0.00 0.00 175.02 175.63 1wii s THR 17 N 2.51 0.07 0.00 10.11 -4.23 -1.26 -4.96 115.64 117.88 1wii s THR 17 Ca -0.02 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 1wii s THR 17 Cb -0.12 -0.20 0.00 0.00 1.34 0.00 0.00 72.50 73.53 1wii s THR 17 CO -0.12 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 1wii n GLY 18 N 2.08 0.94 3.50 3.99 0.00 -1.26 -5.15 105.19 109.29 1wii n GLY 18 Ca -0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 1wii n GLY 18 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wii s THR 19 N -1.03 0.00 -0.85 2.61 -1.32 -1.26 -5.10 115.64 108.69 1wii s THR 19 Ca 0.00 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.27 1wii s THR 19 Cb 0.00 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.09 1wii s THR 19 CO 0.00 0.00 1.13 -0.22 -2.21 0.00 0.00 174.62 173.32 1wii s LEU 20 N -1.84 4.54 0.05 9.08 0.20 -1.26 -4.99 118.68 124.46 1wii s LEU 20 Ca -0.02 -1.56 0.08 0.00 0.69 0.00 0.00 54.13 53.32 1wii s LEU 20 Cb -0.01 -2.44 -0.03 0.00 -0.43 0.00 0.00 46.19 43.29 1wii s LEU 20 CO -0.02 -1.28 -0.22 -1.83 -0.29 0.00 0.00 176.35 172.71 1wii s GLU 21 N 3.59 1.42 -0.14 1.98 -1.05 -1.26 -5.02 118.70 118.22 1wii s GLU 21 Ca 0.31 -1.01 -0.00 0.00 -0.15 0.00 0.00 54.97 54.12 1wii s GLU 21 Cb -0.08 -1.58 0.10 0.00 -0.44 0.00 0.00 34.13 32.13 1wii s GLU 21 CO -0.02 0.40 1.99 0.25 0.95 0.00 0.00 175.26 178.82 1wii n THR 22 N 1.71 2.32 -4.49 1.83 -2.24 -1.26 -4.81 114.28 107.35 1wii n THR 22 Ca -0.17 -1.00 -0.22 0.00 -2.27 0.00 0.00 64.05 60.39 1wii n THR 22 Cb 0.53 -1.41 -0.16 0.00 -2.10 0.00 0.00 70.33 67.19 1wii n THR 22 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1wii s GLN 23 N -0.81 1.21 0.15 -0.78 -0.21 -1.25 -3.59 119.66 114.37 1wii s GLN 23 Ca 0.14 -0.37 -0.12 0.00 0.02 0.00 0.00 55.36 55.04 1wii s GLN 23 Cb 0.11 -1.09 0.01 0.00 1.00 0.00 0.00 33.01 33.04 1wii s GLN 23 CO -0.00 0.12 0.32 -0.06 -2.12 0.00 0.00 175.29 173.55 1wii s PHE 24 N 0.27 0.15 0.39 0.91 0.40 -1.25 -4.96 117.98 113.88 1wii s PHE 24 Ca -0.05 -0.51 -0.25 0.00 -0.60 0.00 0.00 56.93 55.51 1wii s PHE 24 Cb -0.10 0.08 -0.09 0.00 0.51 0.00 0.00 43.02 43.42 1wii s PHE 24 CO 0.01 -0.71 1.16 0.99 0.70 0.00 0.00 175.22 177.37 1wii s THR 25 N -3.90 3.20 -0.22 0.64 2.01 -1.26 -3.47 115.64 112.64 1wii s THR 25 Ca 0.10 1.01 -0.14 0.00 0.31 0.00 0.00 61.69 62.98 1wii s THR 25 Cb 0.03 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1wii s THR 25 CO -0.05 0.10 0.31 0.00 -0.69 0.00 0.00 174.62 174.28 1wii h PRO 27 N 7.47 0.00 0.03 0.00 0.13 -1.97 0.33 132.00 137.99 1wii h PRO 27 Ca -0.37 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1wii h PRO 27 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1wii h PRO 27 CO 0.69 0.00 -0.01 0.74 -0.23 0.00 0.00 178.00 179.19 1wii h PHE 28 N 0.00 -0.03 0.05 1.56 -1.00 -2.02 -3.42 116.94 112.07 1wii h PHE 28 Ca 0.00 -0.00 -0.36 0.00 2.81 0.00 0.00 57.97 60.42 1wii h PHE 28 Cb 0.45 0.01 -0.04 0.00 3.61 0.00 0.00 35.95 39.97 1wii h PHE 28 CO 0.00 -0.02 -2.06 0.00 -1.61 0.00 0.00 178.31 174.62 1wii n ASN 30 N -3.75 -2.20 -2.13 0.00 4.13 0.12 -4.95 115.26 106.49 1wii n ASN 30 Ca -0.39 -0.13 -0.24 0.00 1.68 0.00 0.00 54.58 55.50 1wii n ASN 30 Cb 0.93 -1.46 0.04 0.00 -1.54 0.00 0.00 39.78 37.75 1wii n ASN 30 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1wii n HIS 31 N -1.94 2.08 -1.76 3.10 -0.00 -1.26 -4.87 115.22 110.57 1wii n HIS 31 Ca -0.05 -2.28 0.07 0.00 0.46 0.00 0.00 57.72 55.93 1wii n HIS 31 Cb 0.53 -1.16 -0.02 0.00 -0.12 0.00 0.00 29.99 29.23 1wii n HIS 31 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1wii n GLU 32 N 0.02 -1.05 -0.99 1.57 4.71 -1.26 -4.35 120.64 119.29 1wii n GLU 32 Ca 0.42 0.69 -0.22 0.00 -0.01 0.00 0.00 57.16 58.05 1wii n GLU 32 Cb 0.58 -1.28 -0.12 0.00 -1.01 0.00 0.00 31.44 29.61 1wii n GLU 32 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1wii n LYS 33 N -2.14 0.00 -2.69 3.49 5.02 -1.26 -4.57 118.16 116.01 1wii n LYS 33 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1wii n LYS 33 Cb 0.24 -0.84 0.12 0.00 -0.02 0.00 0.00 35.03 34.53 1wii n LYS 33 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1wii n SER 34 N 5.47 -1.59 -3.81 4.39 7.64 -1.23 -4.94 113.62 119.55 1wii n SER 34 Ca 0.44 -2.33 -0.12 0.00 1.01 0.00 0.00 58.87 57.87 1wii n SER 34 Cb 0.05 0.81 -0.11 0.00 -1.01 0.00 0.00 64.21 63.95 1wii n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wii s ASP 36 N -0.39 3.48 -0.20 0.00 2.15 -0.87 -3.80 116.67 117.03 1wii s ASP 36 Ca -0.05 -0.42 -0.09 0.00 0.43 0.00 0.00 52.55 52.43 1wii s ASP 36 Cb -0.03 -1.10 -0.05 0.00 -0.30 0.00 0.00 42.92 41.44 1wii s ASP 36 CO 0.01 0.23 0.11 -0.69 -0.17 0.00 0.00 175.17 174.66 1wii s VAL 37 N -0.08 5.08 -0.47 1.11 1.01 -1.24 -2.20 120.40 123.63 1wii s VAL 37 Ca -0.05 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 1wii s VAL 37 Cb -0.14 -3.32 0.10 0.00 0.00 0.00 0.00 36.38 33.02 1wii s VAL 37 CO 0.04 0.42 0.36 -0.75 0.00 0.00 0.00 175.10 175.17 1wii s LYS 38 N 0.58 2.68 -0.83 2.72 2.20 0.60 -4.97 119.74 122.72 1wii s LYS 38 Ca 0.06 -1.61 -0.22 0.00 -0.36 0.00 0.00 55.97 53.83 1wii s LYS 38 Cb -0.12 -3.98 0.08 0.00 -1.51 0.00 0.00 37.83 32.30 1wii s LYS 38 CO 0.01 -1.13 1.16 -1.64 -0.36 0.00 0.00 175.35 173.38 1wii s MET 39 N 1.46 3.37 -0.48 4.03 -1.94 -1.26 -0.96 119.30 123.52 1wii s MET 39 Ca 0.04 -1.11 -0.19 0.00 -1.71 0.00 0.00 55.69 52.72 1wii s MET 39 Cb -0.26 -4.67 0.05 0.00 2.01 0.00 0.00 34.83 31.96 1wii s MET 39 CO 0.02 -1.93 0.60 0.34 -0.01 0.00 0.00 175.02 174.04 1wii s ASP 40 N 3.93 6.24 -0.09 3.03 -1.08 -1.19 -4.94 116.67 122.57 1wii s ASP 40 Ca 0.32 -0.76 -0.09 0.00 -0.52 0.00 0.00 52.55 51.50 1wii s ASP 40 Cb -0.08 -2.29 -0.07 0.00 -1.46 0.00 0.00 42.92 39.02 1wii s ASP 40 CO 0.01 -0.83 0.29 0.03 0.52 0.00 0.00 175.17 175.19 1wii h ARG 41 N 8.93 -0.10 -0.79 4.34 2.47 -1.94 0.64 114.38 127.93 1wii h ARG 41 Ca -0.27 0.01 0.31 0.00 -1.26 0.00 0.00 59.98 58.76 1wii h ARG 41 Cb 1.10 0.02 -0.14 0.00 -1.65 0.00 0.00 29.97 29.30 1wii h ARG 41 CO 0.93 0.12 0.33 0.00 0.56 0.00 0.00 179.97 181.91 1wii n ALA 42 N -2.73 0.72 0.13 0.04 0.00 -1.26 0.16 120.51 117.57 1wii n ALA 42 Ca -0.03 0.82 0.09 0.00 0.00 0.00 0.00 53.44 54.32 1wii n ALA 42 Cb 0.13 -0.77 -0.14 0.00 0.00 0.00 0.00 19.45 18.67 1wii n ALA 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wii n ARG 43 N -4.87 0.63 -3.25 0.00 5.12 -1.25 -5.01 116.66 108.04 1wii n ARG 43 Ca 0.27 -0.14 -0.16 0.00 -1.93 0.00 0.00 57.85 55.89 1wii n ARG 43 Cb 0.93 -1.43 0.07 0.00 -1.16 0.00 0.00 32.46 30.86 1wii n ARG 43 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1wii n ASN 44 N -2.04 -3.61 -3.67 0.55 4.13 0.42 -4.94 115.26 106.11 1wii n ASN 44 Ca -0.02 -0.46 -0.22 0.00 1.68 0.00 0.00 54.58 55.55 1wii n ASN 44 Cb 0.46 -4.15 -0.18 0.00 -1.54 0.00 0.00 39.78 34.37 1wii n ASN 44 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1wii s THR 45 N -3.27 -0.04 -0.18 3.41 2.01 0.12 -0.55 115.64 117.14 1wii s THR 45 Ca 0.21 0.21 -0.25 0.00 0.31 0.00 0.00 61.69 62.18 1wii s THR 45 Cb -0.09 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.08 1wii s THR 45 CO 0.58 0.05 0.80 -0.83 -0.69 0.00 0.00 174.62 174.54 1wii s GLY 46 N 2.13 2.06 -0.25 4.40 0.00 0.32 -3.18 107.32 112.81 1wii s GLY 46 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 44.72 44.70 1wii s GLY 46 CO -0.05 1.63 -0.02 0.14 0.00 0.00 0.00 173.10 174.81 1wii s VAL 47 N 2.18 3.29 0.28 1.40 1.01 -0.13 -1.20 120.40 127.22 1wii s VAL 47 Ca 0.37 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.60 1wii s VAL 47 Cb -0.16 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1wii s VAL 47 CO 0.12 0.22 0.33 -0.51 0.00 0.00 0.00 175.10 175.26 1wii s ILE 48 N 1.41 4.56 0.24 2.22 2.07 0.56 -0.29 121.20 131.97 1wii s ILE 48 Ca 0.02 -1.15 -0.19 0.00 -1.41 0.00 0.00 60.65 57.92 1wii s ILE 48 Cb -0.16 -3.56 0.02 0.00 0.13 0.00 0.00 42.46 38.90 1wii s ILE 48 CO -0.02 -0.28 0.63 -0.94 -1.91 0.00 0.00 174.94 172.42 1wii s SER 49 N -3.99 -0.27 0.39 4.50 1.04 -0.93 -0.33 113.70 114.11 1wii s SER 49 Ca 0.37 -0.55 0.08 0.00 0.48 0.00 0.00 55.95 56.32 1wii s SER 49 Cb -0.08 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 1wii s SER 49 CO 0.28 -1.21 0.27 0.00 0.98 0.00 0.00 173.24 173.55 1wii n THR 51 N -1.36 0.86 0.00 0.00 -2.24 0.59 -4.31 114.28 107.82 1wii n THR 51 Ca 0.00 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 1wii n THR 51 Cb 0.62 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 1wii n THR 51 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1wii n VAL 52 N -0.52 0.00 0.34 2.28 0.31 -1.26 -4.82 118.33 114.66 1wii n VAL 52 Ca 0.03 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.47 1wii n VAL 52 Cb 0.42 -0.90 -0.15 0.00 -0.91 0.00 0.00 33.84 32.29 1wii n VAL 52 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wii n LEU 54 N -1.99 -3.35 -4.90 0.00 4.77 -1.26 -5.07 117.00 105.20 1wii n LEU 54 Ca -0.01 -0.26 -0.26 0.00 -0.03 0.00 0.00 56.01 55.45 1wii n LEU 54 Cb 0.48 -1.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.05 1wii n LEU 54 CO 0.45 0.04 0.05 -1.61 -1.33 0.00 0.00 177.39 174.99 1wii s GLU 55 N -3.54 2.27 -0.28 3.23 0.41 -1.26 -4.90 118.70 114.63 1wii s GLU 55 Ca 0.17 -1.98 -0.25 0.00 -0.41 0.00 0.00 54.97 52.49 1wii s GLU 55 Cb -0.02 -2.12 0.11 0.00 -1.78 0.00 0.00 34.13 30.32 1wii s GLU 55 CO 0.28 -0.59 0.97 -2.00 -0.49 0.00 0.00 175.26 173.43 1wii s GLU 56 N -4.28 0.57 -0.00 1.61 2.12 -1.26 -2.04 118.70 115.42 1wii s GLU 56 Ca 0.36 0.66 -0.02 0.00 0.36 0.00 0.00 54.97 56.33 1wii s GLU 56 Cb -0.02 0.28 -0.00 0.00 0.26 0.00 0.00 34.13 34.64 1wii s GLU 56 CO 0.22 -0.07 0.03 0.12 -0.54 0.00 0.00 175.26 175.02 1wii s PHE 57 N 0.24 0.07 0.10 5.30 5.36 0.55 -4.96 117.98 124.63 1wii s PHE 57 Ca 0.03 -0.13 0.07 0.00 -0.96 0.00 0.00 56.93 55.93 1wii s PHE 57 Cb -0.05 -0.06 -0.04 0.00 -0.34 0.00 0.00 43.02 42.53 1wii s PHE 57 CO -0.05 -0.11 -0.10 -0.65 -1.46 0.00 0.00 175.22 172.85 1wii s GLN 58 N -0.65 2.15 -0.26 10.12 -0.21 -1.26 -0.32 119.66 129.21 1wii s GLN 58 Ca -0.07 -1.01 -0.25 0.00 0.02 0.00 0.00 55.36 54.05 1wii s GLN 58 Cb -0.04 -2.31 0.09 0.00 1.00 0.00 0.00 33.01 31.74 1wii s GLN 58 CO -0.00 0.51 0.82 -0.08 -2.12 0.00 0.00 175.29 174.42 1wii s THR 59 N -1.19 0.00 0.16 -0.19 -1.32 -0.34 -5.00 115.64 107.75 1wii s THR 59 Ca 0.21 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.38 1wii s THR 59 Cb -0.11 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.80 1wii s THR 59 CO 0.13 0.00 1.33 -2.16 -2.21 0.00 0.00 174.62 171.71 1wii s PRO 60 N 0.25 4.37 0.36 7.08 0.04 -1.26 0.12 135.00 145.96 1wii s PRO 60 Ca 0.01 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.13 1wii s PRO 60 Cb -0.05 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 1wii s PRO 60 CO -0.01 -0.31 0.19 0.96 0.04 0.00 0.00 177.00 177.87 1wii s ILE 61 N 0.51 0.32 0.29 0.56 -5.25 0.29 -4.75 121.20 113.17 1wii s ILE 61 Ca 0.59 -2.00 0.04 0.00 -0.99 0.00 0.00 60.65 58.30 1wii s ILE 61 Cb -0.36 -2.42 -0.03 0.00 2.95 0.00 0.00 42.46 42.60 1wii s ILE 61 CO 0.35 0.00 0.22 0.42 -1.79 0.00 0.00 174.94 174.14 1wii s THR 62 N -3.36 0.04 0.28 8.37 -4.23 -1.26 -4.42 115.64 111.06 1wii s THR 62 Ca 0.32 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.84 1wii s THR 62 Cb 0.03 -2.50 0.27 0.00 1.34 0.00 0.00 72.50 71.64 1wii s THR 62 CO 0.20 0.00 1.79 0.10 -0.54 0.00 0.00 174.62 176.16 1wii h TYR 63 N 2.27 0.95 -0.26 3.99 -0.00 -1.97 -1.15 116.97 120.80 1wii h TYR 63 Ca -0.29 0.03 -0.16 0.00 -0.00 0.00 0.00 58.73 58.31 1wii h TYR 63 Cb 1.24 -0.28 0.00 0.00 -0.00 0.00 0.00 36.73 37.69 1wii h TYR 63 CO 1.26 0.27 -0.48 -0.07 -0.00 0.00 0.00 178.16 179.14 1wii h LEU 64 N 0.76 0.88 -7.97 0.10 3.38 -2.06 -3.46 115.31 106.95 1wii h LEU 64 Ca 0.50 -0.53 -0.53 0.00 0.09 0.00 0.00 57.88 57.41 1wii h LEU 64 Cb 0.67 -0.25 0.16 0.00 0.09 0.00 0.00 40.66 41.33 1wii h LEU 64 CO -0.34 1.24 -1.02 -1.20 0.09 0.00 0.00 178.44 177.21 1wii n SER 65 N -4.10 -3.25 -4.40 -0.43 7.64 -0.44 -4.98 113.62 103.66 1wii n SER 65 Ca -0.05 0.58 -0.20 0.00 1.01 0.00 0.00 58.87 60.21 1wii n SER 65 Cb 0.59 -0.75 -0.10 0.00 -1.01 0.00 0.00 64.21 62.93 1wii n SER 65 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1wii s GLU 66 N -0.89 1.47 0.00 1.43 2.02 -1.26 -4.85 118.70 116.62 1wii s GLU 66 Ca 0.50 -1.70 0.15 0.00 0.02 0.00 0.00 54.97 53.94 1wii s GLU 66 Cb -0.44 -1.22 0.80 0.00 0.10 0.00 0.00 34.13 33.37 1wii s GLU 66 CO 0.59 0.14 1.39 -0.35 0.02 0.00 0.00 175.26 177.04 1wii n PRO 67 N -0.50 0.29 -0.06 0.39 -0.04 -1.26 -2.51 135.00 131.31 1wii n PRO 67 Ca -0.06 0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.37 1wii n PRO 67 Cb 0.62 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 1wii n PRO 67 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1wii n VAL 68 N -1.20 1.55 -0.03 0.52 3.14 -1.26 -4.32 118.33 116.74 1wii n VAL 68 Ca 0.08 -0.74 -0.13 0.00 -2.96 0.00 0.00 64.34 60.59 1wii n VAL 68 Cb 0.10 -1.07 -0.09 0.00 -1.06 0.00 0.00 33.84 31.73 1wii n VAL 68 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1wii h ASP 69 N 0.01 0.12 -1.04 6.55 1.82 -1.90 -3.13 116.42 118.85 1wii h ASP 69 Ca -0.45 -0.46 0.33 0.00 -0.39 0.00 0.00 57.03 56.06 1wii h ASP 69 Cb 2.07 -0.03 -0.14 0.00 0.68 0.00 0.00 39.33 41.90 1wii h ASP 69 CO 0.03 0.55 0.61 0.58 -1.61 0.00 0.00 179.24 179.40 1wii h VAL 70 N -0.31 0.30 0.51 2.25 2.07 -1.76 0.42 116.25 119.73 1wii h VAL 70 Ca 0.01 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1wii h VAL 70 Cb 0.51 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1wii h VAL 70 CO 0.01 0.06 -0.27 0.22 0.02 0.00 0.00 177.57 177.61 1wii h TYR 71 N 0.31 -0.70 -0.64 1.57 3.20 -1.73 -1.18 116.97 117.81 1wii h TYR 71 Ca 0.73 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.70 1wii h TYR 71 Cb 1.75 0.24 -0.08 0.00 1.54 0.00 0.00 36.73 40.17 1wii h TYR 71 CO -0.01 -0.42 0.20 0.77 -1.64 0.00 0.00 178.16 177.06 1wii h SER 72 N -0.72 0.15 -0.09 -2.11 0.02 -0.99 -1.81 113.55 108.01 1wii h SER 72 Ca -0.07 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1wii h SER 72 Cb 0.56 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 1wii h SER 72 CO 0.10 0.08 -0.02 0.44 -1.14 0.00 0.00 176.83 176.28 1wii h ASP 73 N 0.36 -0.08 -1.05 3.07 5.19 -1.16 -2.12 116.42 120.62 1wii h ASP 73 Ca 0.33 0.03 0.28 0.00 -0.62 0.00 0.00 57.03 57.05 1wii h ASP 73 Cb 0.47 0.05 -0.11 0.00 0.18 0.00 0.00 39.33 39.92 1wii h ASP 73 CO -0.37 -0.03 0.65 -0.25 -3.12 0.00 0.00 179.24 176.13 1wii h TRP 74 N 0.00 0.80 0.83 4.55 7.01 -0.35 0.32 115.95 129.11 1wii h TRP 74 Ca 0.04 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.03 1wii h TRP 74 Cb 0.06 -0.22 0.01 0.00 -2.10 0.00 0.00 29.16 26.91 1wii h TRP 74 CO -0.14 0.00 -0.40 0.82 -2.79 0.00 0.00 178.44 175.93 1wii h ILE 75 N 0.41 0.00 0.00 2.65 1.08 -1.09 -2.04 117.51 118.52 1wii h ILE 75 Ca 0.65 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 65.11 1wii h ILE 75 Cb 1.55 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.30 1wii h ILE 75 CO -0.41 0.00 -0.08 0.44 -0.69 0.00 0.00 178.15 177.42 1wii h ASP 76 N -1.12 0.00 -0.49 1.72 5.19 -1.23 -0.63 116.42 119.88 1wii h ASP 76 Ca -0.11 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.25 1wii h ASP 76 Cb 0.86 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.34 1wii h ASP 76 CO 0.18 0.08 0.15 0.00 -3.12 0.00 0.00 179.24 176.53 1wii h ALA 77 N 1.92 1.25 0.08 3.45 0.00 -0.14 -3.08 119.26 122.74 1wii h ALA 77 Ca -0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.50 1wii h ALA 77 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1wii h ALA 77 CO 0.01 0.53 -1.14 0.00 0.00 0.00 0.00 179.25 178.64 1wii n GLU 79 N -4.14 -0.07 0.08 0.00 -0.58 -0.32 0.39 120.64 116.00 1wii n GLU 79 Ca -0.24 1.41 -0.22 0.00 -0.42 0.00 0.00 57.16 57.70 1wii n GLU 79 Cb 0.79 -2.25 -0.13 0.00 -0.57 0.00 0.00 31.44 29.27 1wii n GLU 79 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1wii h SER 80 N 0.00 0.75 -2.98 1.62 0.02 -1.69 -3.46 113.55 107.80 1wii h SER 80 Ca 0.58 -0.85 -0.58 0.00 -0.84 0.00 0.00 61.79 60.10 1wii h SER 80 Cb 1.22 -0.24 0.15 0.00 0.14 0.00 0.00 62.40 63.67 1wii h SER 80 CO -0.88 1.53 -0.09 0.61 -1.14 0.00 0.00 176.83 176.86 1wii n GLY 81 N 1.43 -0.79 0.00 -3.77 0.00 0.16 -4.82 105.19 97.41 1wii n GLY 81 Ca -0.14 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.95 1wii n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wii n PRO 82 N -0.03 0.49 -0.17 1.61 -0.04 -1.26 -4.08 135.00 131.52 1wii n PRO 82 Ca 0.11 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.52 1wii n PRO 82 Cb 0.43 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 1wii n PRO 82 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1wii h SER 83 N 0.00 -0.92 -4.80 3.54 0.02 -1.88 -3.43 113.55 106.09 1wii h SER 83 Ca 0.00 0.14 -0.21 0.00 -0.84 0.00 0.00 61.79 60.87 1wii h SER 83 Cb 0.00 0.40 -0.15 0.00 0.14 0.00 0.00 62.40 62.80 1wii h SER 83 CO 0.00 -0.10 -0.68 -0.94 -1.14 0.00 0.00 176.83 173.97 1wii s SER 84 N -4.04 0.94 0.00 3.07 1.04 -1.26 -5.22 113.70 108.23 1wii s SER 84 Ca -0.05 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.31 1wii s SER 84 Cb 0.05 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1wii s SER 84 CO 0.26 -0.54 0.29 0.61 0.98 0.00 0.00 173.24 174.84