#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wii s SER 2 N 0.00 6.16 -0.27 1.61 0.15 -1.26 -4.93 113.70 115.16 1wii s SER 2 Ca 0.00 1.89 -0.26 0.00 0.70 0.00 0.00 55.95 58.28 1wii s SER 2 Cb 0.00 -2.53 0.15 0.00 -1.71 0.00 0.00 66.02 61.93 1wii s SER 2 CO 0.00 -1.39 1.18 -0.55 1.20 0.00 0.00 173.24 173.67 1wii s SER 3 N 5.27 -0.29 0.05 5.45 0.15 -1.26 -5.16 113.70 117.91 1wii s SER 3 Ca 0.82 0.51 -0.21 0.00 0.70 0.00 0.00 55.95 57.77 1wii s SER 3 Cb -0.30 0.50 0.05 0.00 -1.71 0.00 0.00 66.02 64.56 1wii s SER 3 CO 0.33 -0.13 0.50 -0.83 1.20 0.00 0.00 173.24 174.31 1wii s GLY 4 N -0.10 -0.40 -0.43 9.45 0.00 -1.26 -5.01 107.32 109.57 1wii s GLY 4 Ca 0.04 0.54 0.02 0.00 0.00 0.00 0.00 44.72 45.32 1wii s GLY 4 CO -0.08 0.25 0.29 -0.45 0.00 0.00 0.00 173.10 173.10 1wii s SER 5 N -1.97 2.92 0.00 1.64 0.15 -1.26 -5.00 113.70 110.18 1wii s SER 5 Ca -0.05 -2.75 -0.05 0.00 0.70 0.00 0.00 55.95 53.80 1wii s SER 5 Cb -0.01 -0.73 -0.21 0.00 -1.71 0.00 0.00 66.02 63.36 1wii s SER 5 CO -0.02 -0.23 3.06 -0.24 1.20 0.00 0.00 173.24 177.00 1wii n SER 6 N 3.33 4.52 -4.34 5.45 2.88 -1.26 -4.89 113.62 119.32 1wii n SER 6 Ca 0.17 -2.33 -0.29 0.00 -1.33 0.00 0.00 58.87 55.09 1wii n SER 6 Cb 0.39 -1.20 -0.19 0.00 -0.75 0.00 0.00 64.21 62.46 1wii n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wii n GLY 7 N 2.47 -0.48 3.40 0.46 0.00 -1.26 -4.81 105.19 104.97 1wii n GLY 7 Ca 0.33 0.45 -0.08 0.00 0.00 0.00 0.00 46.02 46.73 1wii n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wii s ARG 8 N 7.54 0.47 0.15 1.61 0.52 -1.26 -5.11 118.95 122.87 1wii s ARG 8 Ca 1.29 1.04 -0.34 0.00 -0.52 0.00 0.00 55.73 57.19 1wii s ARG 8 Cb -0.98 0.22 -0.15 0.00 0.52 0.00 0.00 34.95 34.56 1wii s ARG 8 CO 0.52 -0.19 1.46 1.17 0.02 0.00 0.00 175.30 178.28 1wii n LYS 9 N 4.72 1.79 -2.10 3.54 3.00 -1.26 -4.87 118.16 122.98 1wii n LYS 9 Ca -0.17 0.64 -0.43 0.00 -0.00 0.00 0.00 58.31 58.35 1wii n LYS 9 Cb 0.54 -2.34 -0.03 0.00 0.00 0.00 0.00 35.03 33.20 1wii n LYS 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1wii s PRO 10 N 0.52 3.50 0.41 1.64 0.04 -1.26 -4.98 135.00 134.87 1wii s PRO 10 Ca 0.79 1.39 -0.25 0.00 0.04 0.00 0.00 61.00 62.97 1wii s PRO 10 Cb -0.76 -4.12 -0.08 0.00 0.04 0.00 0.00 34.50 29.57 1wii s PRO 10 CO 0.43 -1.65 1.18 -1.25 0.04 0.00 0.00 177.00 175.75 1wii s PRO 11 N 5.26 4.00 0.90 0.56 0.04 -1.26 -5.03 135.00 139.47 1wii s PRO 11 Ca 0.74 1.87 -0.12 0.00 0.04 0.00 0.00 61.00 63.53 1wii s PRO 11 Cb -0.21 -2.64 0.13 0.00 0.04 0.00 0.00 34.50 31.81 1wii s PRO 11 CO 0.32 -0.38 1.09 -1.25 0.04 0.00 0.00 177.00 176.83 1wii s PRO 12 N -2.35 1.25 -0.04 0.56 0.04 -1.26 -5.08 135.00 128.12 1wii s PRO 12 Ca 0.58 0.82 -0.29 0.00 0.04 0.00 0.00 61.00 62.15 1wii s PRO 12 Cb -0.31 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 32.50 1wii s PRO 12 CO 0.39 -2.24 0.75 0.21 0.04 0.00 0.00 177.00 176.15 1wii s LYS 13 N -4.93 0.98 -0.33 4.56 2.47 -1.26 -5.13 119.74 116.09 1wii s LYS 13 Ca 0.63 0.09 -0.01 0.00 -1.56 0.00 0.00 55.97 55.12 1wii s LYS 13 Cb -0.18 0.46 0.13 0.00 -1.46 0.00 0.00 37.83 36.78 1wii s LYS 13 CO 0.57 -0.34 0.18 -1.59 0.16 0.00 0.00 175.35 174.34 1wii s LYS 14 N -1.69 0.46 -0.39 4.03 -2.85 -1.26 -4.99 119.74 113.05 1wii s LYS 14 Ca -0.06 -1.09 0.05 0.00 -1.00 0.00 0.00 55.97 53.87 1wii s LYS 14 Cb -0.00 -1.29 0.44 0.00 -2.06 0.00 0.00 37.83 34.91 1wii s LYS 14 CO 0.04 -1.15 1.23 0.36 0.10 0.00 0.00 175.35 175.93 1wii n LYS 15 N 4.42 3.47 -1.22 1.78 0.00 -1.26 -5.04 118.16 120.31 1wii n LYS 15 Ca 0.06 -4.23 0.00 0.00 -0.00 0.00 0.00 58.31 54.14 1wii n LYS 15 Cb 0.39 -2.27 0.00 0.00 -0.00 0.00 0.00 35.03 33.15 1wii n LYS 15 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1wii n MET 16 N -0.63 -3.14 -1.04 -1.58 1.56 -1.26 -4.82 117.12 106.21 1wii n MET 16 Ca 0.43 2.33 -0.40 0.00 -0.27 0.00 0.00 57.70 59.80 1wii n MET 16 Cb 0.81 -2.45 -0.05 0.00 2.15 0.00 0.00 33.22 33.68 1wii n MET 16 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1wii n THR 17 N 0.50 0.45 -2.35 1.12 -1.04 -1.26 -4.92 114.28 106.79 1wii n THR 17 Ca 0.00 -0.11 -0.24 0.00 -2.04 0.00 0.00 64.05 61.66 1wii n THR 17 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 1wii n THR 17 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1wii s GLY 18 N -0.22 1.74 0.05 3.41 0.00 -1.26 -5.10 107.32 105.93 1wii s GLY 18 Ca 0.59 -1.08 0.05 0.00 0.00 0.00 0.00 44.72 44.27 1wii s GLY 18 CO 0.40 -0.71 -0.07 -1.08 0.00 0.00 0.00 173.10 171.65 1wii s THR 19 N -3.10 3.58 -0.83 0.90 -1.32 -1.26 -5.02 115.64 108.59 1wii s THR 19 Ca 0.60 -0.99 -0.26 0.00 -1.21 0.00 0.00 61.69 59.83 1wii s THR 19 Cb -0.10 -2.62 -0.15 0.00 -1.51 0.00 0.00 72.50 68.12 1wii s THR 19 CO 0.43 0.25 2.38 0.18 -2.21 0.00 0.00 174.62 175.65 1wii n LEU 20 N 1.12 1.72 -0.20 9.08 4.32 -1.26 -4.62 117.00 127.16 1wii n LEU 20 Ca -0.14 -1.62 0.09 0.00 -0.02 0.00 0.00 56.01 54.33 1wii n LEU 20 Cb 0.52 -1.67 0.16 0.00 -1.62 0.00 0.00 43.42 40.81 1wii n LEU 20 CO 0.33 -2.77 0.56 -1.84 -1.22 0.00 0.00 177.39 172.44 1wii n GLU 21 N 8.70 1.44 -1.78 3.23 0.28 -1.26 -4.96 120.64 126.30 1wii n GLU 21 Ca 0.46 -2.69 0.00 0.00 -0.16 0.00 0.00 57.16 54.78 1wii n GLU 21 Cb 0.43 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.76 1wii n GLU 21 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1wii n THR 22 N -1.33 0.00 -4.73 3.84 5.66 -1.26 -4.84 114.28 111.61 1wii n THR 22 Ca 0.17 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.93 1wii n THR 22 Cb 0.67 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.30 1wii n THR 22 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1wii s GLN 23 N -3.52 1.31 0.10 1.09 -0.21 -1.26 -3.23 119.66 113.94 1wii s GLN 23 Ca 0.00 -0.64 -0.23 0.00 0.02 0.00 0.00 55.36 54.51 1wii s GLN 23 Cb 0.00 -1.29 0.06 0.00 1.00 0.00 0.00 33.01 32.79 1wii s GLN 23 CO 0.00 0.35 0.57 -0.06 -2.12 0.00 0.00 175.29 174.03 1wii s PHE 24 N -0.47 -0.49 0.54 0.91 0.40 -1.25 -5.03 117.98 112.59 1wii s PHE 24 Ca 0.06 0.41 -0.19 0.00 -0.60 0.00 0.00 56.93 56.61 1wii s PHE 24 Cb -0.07 0.46 -0.06 0.00 0.51 0.00 0.00 43.02 43.86 1wii s PHE 24 CO -0.00 -0.76 1.13 0.99 0.70 0.00 0.00 175.22 177.28 1wii s THR 25 N -3.14 3.19 -0.27 0.64 2.01 -1.26 -3.14 115.64 113.66 1wii s THR 25 Ca -0.02 0.74 -0.10 0.00 0.31 0.00 0.00 61.69 62.62 1wii s THR 25 Cb -0.00 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 1wii s THR 25 CO -0.07 -0.16 0.17 0.00 -0.69 0.00 0.00 174.62 173.87 1wii h PRO 27 N 8.25 0.00 0.28 0.00 0.13 -1.97 1.68 132.00 140.37 1wii h PRO 27 Ca -0.36 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 1wii h PRO 27 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wii h PRO 27 CO 0.57 0.04 -0.14 0.74 -0.23 0.00 0.00 178.00 178.98 1wii h PHE 28 N 0.00 -0.35 0.00 1.56 0.04 -2.00 -3.41 116.94 112.78 1wii h PHE 28 Ca -0.00 -0.01 -0.17 0.00 2.80 0.00 0.00 57.97 60.59 1wii h PHE 28 Cb 0.52 0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.75 1wii h PHE 28 CO 0.00 0.00 -1.63 0.00 -0.60 0.00 0.00 178.31 176.08 1wii n ASN 30 N -2.69 -6.83 -2.11 0.00 3.02 0.57 -4.96 115.26 102.26 1wii n ASN 30 Ca -0.18 0.43 -0.27 0.00 -0.03 0.00 0.00 54.58 54.52 1wii n ASN 30 Cb 0.73 -4.57 0.04 0.00 -0.61 0.00 0.00 39.78 35.37 1wii n ASN 30 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1wii n HIS 31 N -0.37 2.88 -3.00 3.10 -0.00 -1.26 -4.94 115.22 111.63 1wii n HIS 31 Ca 0.09 -2.48 -0.05 0.00 0.46 0.00 0.00 57.72 55.74 1wii n HIS 31 Cb 0.38 -0.71 0.01 0.00 -0.12 0.00 0.00 29.99 29.54 1wii n HIS 31 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1wii n GLU 32 N -0.79 -1.95 -2.83 1.57 2.13 -1.26 -4.46 120.64 113.05 1wii n GLU 32 Ca 0.50 1.79 -0.02 0.00 0.66 0.00 0.00 57.16 60.09 1wii n GLU 32 Cb 0.87 -3.32 -0.02 0.00 0.27 0.00 0.00 31.44 29.24 1wii n GLU 32 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1wii n LYS 33 N 0.75 -2.90 -2.71 5.31 4.76 -1.26 -4.98 118.16 117.13 1wii n LYS 33 Ca 0.00 2.37 -0.03 0.00 -2.87 0.00 0.00 58.31 57.78 1wii n LYS 33 Cb 0.32 -3.61 0.10 0.00 -1.84 0.00 0.00 35.03 29.99 1wii n LYS 33 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1wii n SER 34 N 1.52 -0.68 -3.89 4.39 7.64 -1.19 -4.95 113.62 116.47 1wii n SER 34 Ca -0.15 -2.29 -0.11 0.00 1.01 0.00 0.00 58.87 57.34 1wii n SER 34 Cb 0.31 0.41 -0.12 0.00 -1.01 0.00 0.00 64.21 63.81 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 -0.60 2.81 -0.25 0.00 2.15 -0.78 -3.87 116.67 116.13 1wii s ASP 36 Ca -0.07 -0.50 -0.10 0.00 0.43 0.00 0.00 52.55 52.31 1wii s ASP 36 Cb -0.04 -1.26 -0.04 0.00 -0.30 0.00 0.00 42.92 41.27 1wii s ASP 36 CO 0.00 0.14 0.14 -0.69 -0.17 0.00 0.00 175.17 174.59 1wii s VAL 37 N 0.39 5.07 -0.59 1.11 1.01 -1.20 -2.38 120.40 123.81 1wii s VAL 37 Ca -0.17 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 1wii s VAL 37 Cb -0.17 -3.38 0.14 0.00 0.00 0.00 0.00 36.38 32.97 1wii s VAL 37 CO 0.08 0.32 0.57 -0.54 0.00 0.00 0.00 175.10 175.53 1wii s LYS 38 N 1.34 3.09 -0.77 2.72 -0.14 0.71 -4.97 119.74 121.72 1wii s LYS 38 Ca 0.07 -1.76 -0.25 0.00 -1.36 0.00 0.00 55.97 52.67 1wii s LYS 38 Cb -0.15 -4.32 0.05 0.00 -1.68 0.00 0.00 37.83 31.73 1wii s LYS 38 CO 0.06 -1.36 1.23 -1.64 -0.76 0.00 0.00 175.35 172.88 1wii s MET 39 N 1.58 3.25 -0.50 1.68 -1.94 -1.26 -1.46 119.30 120.65 1wii s MET 39 Ca 0.07 -0.56 -0.18 0.00 -1.71 0.00 0.00 55.69 53.31 1wii s MET 39 Cb -0.26 -4.39 0.06 0.00 2.01 0.00 0.00 34.83 32.24 1wii s MET 39 CO 0.02 -2.07 0.58 0.34 -0.01 0.00 0.00 175.02 173.87 1wii s ASP 40 N 3.91 6.21 -0.01 3.03 -1.08 -1.18 -4.94 116.67 122.59 1wii s ASP 40 Ca 0.34 -0.97 -0.23 0.00 -0.52 0.00 0.00 52.55 51.17 1wii s ASP 40 Cb -0.09 -2.27 -0.15 0.00 -1.46 0.00 0.00 42.92 38.96 1wii s ASP 40 CO 0.09 -0.83 1.04 0.03 0.52 0.00 0.00 175.17 176.01 1wii h ARG 41 N 8.94 -0.42 -1.02 4.34 -0.00 -1.92 0.50 114.38 124.81 1wii h ARG 41 Ca -0.28 0.03 0.27 0.00 -0.50 0.00 0.00 59.98 59.50 1wii h ARG 41 Cb 1.10 0.09 -0.07 0.00 0.00 0.00 0.00 29.97 31.09 1wii h ARG 41 CO 0.94 -0.09 0.68 0.00 0.00 0.00 0.00 179.97 181.51 1wii h ALA 42 N -0.48 2.46 -0.01 0.04 0.00 -1.97 0.70 119.26 120.00 1wii h ALA 42 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wii h ALA 42 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1wii h ALA 42 CO 0.07 -0.81 -0.53 0.54 0.00 0.00 0.00 179.25 178.52 1wii n ARG 43 N -4.48 0.86 -3.22 0.00 1.74 -1.19 -4.95 116.66 105.42 1wii n ARG 43 Ca 0.23 -0.68 -0.19 0.00 -0.77 0.00 0.00 57.85 56.44 1wii n ARG 43 Cb 0.91 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.85 1wii n ARG 43 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1wii n ASN 44 N -0.48 -2.74 -3.72 0.55 4.13 0.24 -4.89 115.26 108.36 1wii n ASN 44 Ca 0.09 -0.23 -0.20 0.00 1.68 0.00 0.00 54.58 55.91 1wii n ASN 44 Cb 0.42 -2.34 -0.18 0.00 -1.54 0.00 0.00 39.78 36.14 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 -2.71 0.06 -0.40 3.41 2.01 -0.70 0.54 115.64 117.85 1wii s THR 45 Ca 0.32 0.30 -0.21 0.00 0.31 0.00 0.00 61.69 62.41 1wii s THR 45 Cb -0.18 -0.27 0.01 0.00 0.01 0.00 0.00 72.50 72.08 1wii s THR 45 CO 0.39 0.20 0.64 -0.83 -0.69 0.00 0.00 174.62 174.33 1wii s GLY 46 N 1.95 1.72 -0.28 4.40 0.00 0.21 -3.13 107.32 112.20 1wii s GLY 46 Ca 0.03 -1.06 -0.11 0.00 0.00 0.00 0.00 44.72 43.58 1wii s GLY 46 CO -0.04 1.52 0.21 0.14 0.00 0.00 0.00 173.10 174.94 1wii s VAL 47 N 2.79 5.29 0.28 1.40 1.01 -0.53 -2.61 120.40 128.03 1wii s VAL 47 Ca 0.23 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.52 1wii s VAL 47 Cb -0.14 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1wii s VAL 47 CO 0.17 0.24 0.12 -0.51 0.00 0.00 0.00 175.10 175.13 1wii s ILE 48 N 1.76 3.73 0.26 2.22 2.07 -0.66 -0.20 121.20 130.36 1wii s ILE 48 Ca 0.08 -1.64 -0.21 0.00 -1.41 0.00 0.00 60.65 57.47 1wii s ILE 48 Cb -0.16 -3.10 0.03 0.00 0.13 0.00 0.00 42.46 39.36 1wii s ILE 48 CO 0.10 -0.31 0.69 -0.94 -1.91 0.00 0.00 174.94 172.57 1wii s SER 49 N -3.80 -0.30 0.34 4.50 1.04 -1.00 -0.60 113.70 113.88 1wii s SER 49 Ca 0.34 -0.52 0.08 0.00 0.48 0.00 0.00 55.95 56.34 1wii s SER 49 Cb -0.06 0.70 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 1wii s SER 49 CO 0.23 -1.27 0.14 0.00 0.98 0.00 0.00 173.24 173.32 1wii n THR 51 N -1.15 2.19 0.00 0.00 -2.24 0.77 -4.32 114.28 109.52 1wii n THR 51 Ca -0.03 -3.74 0.00 0.00 -2.27 0.00 0.00 64.05 58.01 1wii n THR 51 Cb 0.61 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.71 0.00 0.45 2.28 0.31 -1.26 -4.92 118.33 114.48 1wii n VAL 52 Ca 0.33 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.76 1wii n VAL 52 Cb 0.91 -0.13 -0.14 0.00 -0.91 0.00 0.00 33.84 33.57 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 -1.93 -3.19 -4.85 0.00 4.77 -1.26 -5.07 117.00 105.47 1wii n LEU 54 Ca -0.00 -0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 55.50 1wii n LEU 54 Cb 0.46 -1.45 -0.04 0.00 -2.33 0.00 0.00 43.42 40.07 1wii n LEU 54 CO 0.44 0.05 -0.03 -1.61 -1.33 0.00 0.00 177.39 174.91 1wii s GLU 55 N -3.64 2.36 -0.18 3.23 0.41 -1.26 -4.92 118.70 114.69 1wii s GLU 55 Ca 0.14 -1.77 -0.29 0.00 -0.41 0.00 0.00 54.97 52.63 1wii s GLU 55 Cb -0.02 -2.18 0.12 0.00 -1.78 0.00 0.00 34.13 30.27 1wii s GLU 55 CO 0.26 -0.30 0.96 -2.00 -0.49 0.00 0.00 175.26 173.69 1wii s GLU 56 N -4.11 0.63 0.13 1.61 2.12 -1.26 -1.94 118.70 115.88 1wii s GLU 56 Ca 0.42 0.30 -0.05 0.00 0.36 0.00 0.00 54.97 55.99 1wii s GLU 56 Cb -0.01 0.30 -0.02 0.00 0.26 0.00 0.00 34.13 34.66 1wii s GLU 56 CO 0.24 -0.17 0.16 0.12 -0.54 0.00 0.00 175.26 175.07 1wii s PHE 57 N -0.74 0.54 0.04 5.30 5.36 0.24 -4.96 117.98 123.77 1wii s PHE 57 Ca -0.02 -0.94 0.04 0.00 -0.96 0.00 0.00 56.93 55.05 1wii s PHE 57 Cb -0.02 -0.24 -0.02 0.00 -0.34 0.00 0.00 43.02 42.40 1wii s PHE 57 CO 0.01 -0.59 -0.11 -0.65 -1.46 0.00 0.00 175.22 172.42 1wii s GLN 58 N -3.98 0.70 -0.19 10.12 -0.21 -1.26 -1.66 119.66 123.19 1wii s GLN 58 Ca 0.17 -0.74 -0.28 0.00 0.02 0.00 0.00 55.36 54.53 1wii s GLN 58 Cb 0.05 -0.62 0.09 0.00 1.00 0.00 0.00 33.01 33.54 1wii s GLN 58 CO -0.02 0.14 0.82 -0.08 -2.12 0.00 0.00 175.29 174.04 1wii s THR 59 N -1.05 0.00 -0.09 -0.19 -1.32 -1.07 -5.00 115.64 106.91 1wii s THR 59 Ca -0.03 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.15 1wii s THR 59 Cb -0.08 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.86 1wii s THR 59 CO 0.01 0.00 1.52 -2.16 -2.21 0.00 0.00 174.62 171.78 1wii s PRO 60 N -0.37 4.20 0.28 7.08 0.04 -1.26 0.65 135.00 145.61 1wii s PRO 60 Ca -0.03 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.04 1wii s PRO 60 Cb -0.03 -3.91 -0.05 0.00 0.04 0.00 0.00 34.50 30.55 1wii s PRO 60 CO 0.02 -0.80 0.11 0.96 0.04 0.00 0.00 177.00 177.33 1wii s ILE 61 N 3.86 0.54 0.06 0.56 -5.25 0.19 -4.80 121.20 116.35 1wii s ILE 61 Ca 0.67 -2.00 -0.03 0.00 -0.99 0.00 0.00 60.65 58.30 1wii s ILE 61 Cb -0.29 -2.60 -0.03 0.00 2.95 0.00 0.00 42.46 42.49 1wii s ILE 61 CO 0.24 0.00 0.03 0.42 -1.79 0.00 0.00 174.94 173.84 1wii s THR 62 N -3.67 0.19 0.25 8.37 -4.23 -1.26 -3.73 115.64 111.56 1wii s THR 62 Ca 0.37 -1.57 0.10 0.00 -1.18 0.00 0.00 61.69 59.40 1wii s THR 62 Cb 0.07 -1.37 0.28 0.00 1.34 0.00 0.00 72.50 72.82 1wii s THR 62 CO 0.15 -0.87 1.15 0.00 -0.54 0.00 0.00 174.62 174.51 1wii n TYR 63 N 0.20 0.69 -0.10 3.99 4.11 -1.26 0.25 117.16 125.04 1wii n TYR 63 Ca -0.15 0.87 -0.12 0.00 -0.00 0.00 0.00 57.90 58.50 1wii n TYR 63 Cb 0.61 -1.19 -0.03 0.00 -0.00 0.00 0.00 39.34 38.73 1wii n TYR 63 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 1wii h LEU 64 N 0.00 0.62 -9.00 -3.48 3.38 -2.02 -3.45 115.31 101.36 1wii h LEU 64 Ca 0.55 -0.38 -0.56 0.00 0.09 0.00 0.00 57.88 57.58 1wii h LEU 64 Cb 1.34 -0.17 0.23 0.00 0.09 0.00 0.00 40.66 42.15 1wii h LEU 64 CO -0.61 0.86 -1.74 -1.20 0.09 0.00 0.00 178.44 175.84 1wii n SER 65 N -4.44 -5.61 -4.42 -0.43 7.64 0.71 -4.99 113.62 102.08 1wii n SER 65 Ca -0.03 0.27 -0.26 0.00 1.01 0.00 0.00 58.87 59.86 1wii n SER 65 Cb 0.34 -0.78 -0.12 0.00 -1.01 0.00 0.00 64.21 62.65 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 -1.83 1.52 0.00 1.43 2.02 -1.26 -4.84 118.70 115.74 1wii s GLU 66 Ca 0.43 -1.55 0.15 0.00 0.02 0.00 0.00 54.97 54.02 1wii s GLU 66 Cb -0.24 -1.81 0.76 0.00 0.10 0.00 0.00 34.13 32.94 1wii s GLU 66 CO 0.80 0.38 1.41 -0.35 0.02 0.00 0.00 175.26 177.52 1wii n PRO 67 N 0.17 0.22 -0.06 0.39 -0.04 -1.26 -2.43 135.00 131.99 1wii n PRO 67 Ca -0.12 0.14 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 1wii n PRO 67 Cb 0.56 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.27 1.51 -0.18 0.52 3.14 -1.26 -4.31 118.33 116.47 1wii n VAL 68 Ca 0.07 -0.81 -0.08 0.00 -2.96 0.00 0.00 64.34 60.57 1wii n VAL 68 Cb 0.12 -0.82 0.01 0.00 -1.06 0.00 0.00 33.84 32.09 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 0.00 0.73 -0.91 6.55 1.82 -1.90 -2.80 116.42 119.91 1wii h ASP 69 Ca -0.44 -0.18 0.14 0.00 -0.39 0.00 0.00 57.03 56.16 1wii h ASP 69 Cb 2.12 -0.19 -0.09 0.00 0.68 0.00 0.00 39.33 41.85 1wii h ASP 69 CO 0.05 0.71 0.53 0.58 -1.61 0.00 0.00 179.24 179.49 1wii h VAL 70 N 0.71 0.80 0.09 2.25 2.07 -1.75 -2.31 116.25 118.11 1wii h VAL 70 Ca 0.17 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1wii h VAL 70 Cb 0.22 -0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 29.90 1wii h VAL 70 CO -0.01 0.14 -0.41 0.22 0.02 0.00 0.00 177.57 177.53 1wii h TYR 71 N 0.77 -1.14 -0.91 1.57 3.20 -1.68 0.46 116.97 119.24 1wii h TYR 71 Ca 0.48 0.03 0.22 0.00 3.14 0.00 0.00 58.73 62.60 1wii h TYR 71 Cb 0.61 0.49 -0.12 0.00 1.54 0.00 0.00 36.73 39.24 1wii h TYR 71 CO -0.05 -0.50 0.43 0.77 -1.64 0.00 0.00 178.16 177.18 1wii h SER 72 N -0.62 0.41 -0.36 -2.11 0.02 -1.45 0.92 113.55 110.36 1wii h SER 72 Ca 0.03 0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 1wii h SER 72 Cb 0.66 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1wii h SER 72 CO -0.25 0.03 -0.02 0.44 -1.14 0.00 0.00 176.83 175.89 1wii h ASP 73 N 0.45 0.63 -0.71 3.07 5.19 -1.10 -2.83 116.42 121.12 1wii h ASP 73 Ca 0.57 -0.32 0.13 0.00 -0.62 0.00 0.00 57.03 56.79 1wii h ASP 73 Cb 1.08 -0.17 -0.05 0.00 0.18 0.00 0.00 39.33 40.37 1wii h ASP 73 CO -0.51 0.80 0.48 -0.25 -3.12 0.00 0.00 179.24 176.64 1wii h TRP 74 N 0.45 0.49 0.36 4.55 7.01 0.13 -0.38 115.95 128.57 1wii h TRP 74 Ca 0.10 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.10 1wii h TRP 74 Cb 0.48 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.39 1wii h TRP 74 CO 0.04 0.20 -0.17 0.82 -2.79 0.00 0.00 178.44 176.54 1wii h ILE 75 N 0.43 0.63 0.00 2.65 1.08 -1.11 -2.19 117.51 119.01 1wii h ILE 75 Ca 0.34 -0.42 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1wii h ILE 75 Cb 0.73 0.84 -0.00 0.00 -3.07 0.00 0.00 36.82 35.32 1wii h ILE 75 CO -0.11 0.08 -0.03 0.44 -0.69 0.00 0.00 178.15 177.84 1wii h ASP 76 N -0.73 0.00 1.56 1.72 3.32 -1.32 -0.22 116.42 120.75 1wii h ASP 76 Ca -0.05 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1wii h ASP 76 Cb 0.50 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1wii h ASP 76 CO 0.08 0.03 -0.29 0.00 -1.72 0.00 0.00 179.24 177.34 1wii h ALA 77 N 1.97 0.83 0.00 3.45 0.00 -0.82 -3.05 119.26 121.64 1wii h ALA 77 Ca -0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 54.91 54.34 1wii h ALA 77 Cb 0.21 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1wii h ALA 77 CO 0.00 0.37 -1.69 0.00 0.00 0.00 0.00 179.25 177.93 1wii n GLU 79 N -4.38 0.13 -3.74 0.00 0.28 -0.22 -4.41 120.64 108.31 1wii n GLU 79 Ca -0.39 0.63 -0.15 0.00 -0.16 0.00 0.00 57.16 57.09 1wii n GLU 79 Cb 0.73 -1.94 -0.16 0.00 1.43 0.00 0.00 31.44 31.50 1wii n GLU 79 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1wii s SER 80 N -3.94 0.23 0.00 -1.84 0.15 -1.15 -4.75 113.70 102.39 1wii s SER 80 Ca -0.02 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1wii s SER 80 Cb 0.06 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1wii s SER 80 CO 0.18 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1wii n GLY 81 N 4.49 3.61 3.74 9.45 0.00 -1.26 -4.48 105.19 120.75 1wii n GLY 81 Ca -0.21 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 1wii n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wii s PRO 82 N -2.38 1.71 0.04 1.61 0.04 -1.26 -5.06 135.00 129.70 1wii s PRO 82 Ca 0.00 0.97 -0.04 0.00 0.04 0.00 0.00 61.00 61.97 1wii s PRO 82 Cb 0.00 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.70 1wii s PRO 82 CO 0.00 -1.97 0.19 0.45 0.04 0.00 0.00 177.00 175.71 1wii n SER 83 N -3.72 -0.34 0.10 6.66 2.88 -1.26 -5.11 113.62 112.83 1wii n SER 83 Ca 0.08 -1.19 0.00 0.00 -1.33 0.00 0.00 58.87 56.43 1wii n SER 83 Cb 0.54 0.56 0.00 0.00 -0.75 0.00 0.00 64.21 64.56 1wii n SER 83 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wii n SER 84 N -0.77 0.20 0.00 -3.46 2.88 -1.26 -5.27 113.62 105.95 1wii n SER 84 Ca -0.01 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1wii n SER 84 Cb 0.11 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1wii n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42