#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 -3.92 -3.43 1.61 7.64 -1.26 -4.93 113.62 109.33 1wii n SER 2 Ca 0.00 -0.78 -0.04 0.00 1.01 0.00 0.00 58.87 59.06 1wii n SER 2 Cb 0.00 -1.30 0.01 0.00 -1.01 0.00 0.00 64.21 61.91 1wii n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wii s SER 3 N -2.75 -0.04 0.00 6.43 1.04 -1.26 -5.16 113.70 111.96 1wii s SER 3 Ca 0.01 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1wii s SER 3 Cb -0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1wii s SER 3 CO 0.73 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1wii n GLY 4 N -0.62 0.87 3.54 7.32 0.00 -1.26 -5.16 105.19 109.87 1wii n GLY 4 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 1wii n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wii s SER 5 N 0.44 -0.65 -0.03 1.61 0.15 -1.26 -5.18 113.70 108.77 1wii s SER 5 Ca 0.00 0.79 -0.29 0.00 0.70 0.00 0.00 55.95 57.15 1wii s SER 5 Cb 0.00 0.63 0.10 0.00 -1.71 0.00 0.00 66.02 65.05 1wii s SER 5 CO 0.00 -0.55 0.89 -0.55 1.20 0.00 0.00 173.24 174.23 1wii s SER 6 N -1.00 -0.38 0.00 5.45 0.15 -1.26 -5.17 113.70 111.50 1wii s SER 6 Ca -0.09 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1wii s SER 6 Cb -0.01 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1wii s SER 6 CO 0.08 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.55 1wii n GLY 7 N -0.04 0.83 2.15 9.45 0.00 -1.26 -5.07 105.19 111.26 1wii n GLY 7 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 1wii n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wii n ARG 8 N 0.00 0.46 -2.83 1.61 0.00 -1.26 -5.06 116.66 109.58 1wii n ARG 8 Ca 0.00 -0.60 -0.09 0.00 -0.00 0.00 0.00 57.85 57.16 1wii n ARG 8 Cb 0.00 0.10 0.02 0.00 -0.00 0.00 0.00 32.46 32.58 1wii n ARG 8 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1wii n LYS 9 N -0.54 0.68 -2.20 2.89 4.01 -1.26 -5.13 118.16 116.61 1wii n LYS 9 Ca -0.11 -2.03 -0.42 0.00 -0.51 0.00 0.00 58.31 55.23 1wii n LYS 9 Cb 0.65 -1.45 -0.03 0.00 -0.51 0.00 0.00 35.03 33.69 1wii n LYS 9 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1wii s PRO 10 N 0.53 4.31 -0.18 1.97 0.04 -1.26 -4.96 135.00 135.45 1wii s PRO 10 Ca 0.32 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.09 1wii s PRO 10 Cb 0.15 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 1wii s PRO 10 CO -0.18 -0.48 1.58 -1.25 0.04 0.00 0.00 177.00 176.71 1wii s PRO 11 N 1.61 3.93 0.28 0.56 0.04 -1.26 -4.90 135.00 135.26 1wii s PRO 11 Ca 0.64 1.77 0.06 0.00 0.04 0.00 0.00 61.00 63.51 1wii s PRO 11 Cb -0.35 -3.99 0.39 0.00 0.04 0.00 0.00 34.50 30.60 1wii s PRO 11 CO 0.29 -1.13 1.66 -1.00 0.04 0.00 0.00 177.00 176.86 1wii h PRO 12 N 10.17 0.25 0.00 0.56 0.13 -2.07 -3.46 132.00 137.58 1wii h PRO 12 Ca -0.34 -0.13 -0.27 0.00 -0.87 0.00 0.00 66.00 64.39 1wii h PRO 12 Cb 1.15 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 1wii h PRO 12 CO 0.99 0.66 -0.20 1.63 -0.23 0.00 0.00 178.00 180.85 1wii n LYS 13 N -3.99 1.43 -2.32 0.86 5.02 -1.26 -5.04 118.16 112.86 1wii n LYS 13 Ca -0.02 -1.53 0.00 0.00 -2.02 0.00 0.00 58.31 54.75 1wii n LYS 13 Cb 0.51 0.44 0.00 0.00 -0.02 0.00 0.00 35.03 35.97 1wii n LYS 13 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1wii n LYS 14 N -0.51 -5.42 -4.05 1.97 4.76 -1.26 -5.08 118.16 108.57 1wii n LYS 14 Ca -0.08 3.90 -0.10 0.00 -2.87 0.00 0.00 58.31 59.16 1wii n LYS 14 Cb 0.27 -4.73 -0.08 0.00 -1.84 0.00 0.00 35.03 28.65 1wii n LYS 14 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1wii s LYS 15 N -0.59 1.07 -0.43 1.97 2.47 -1.26 -5.02 119.74 117.94 1wii s LYS 15 Ca 0.00 -1.30 -0.28 0.00 -1.56 0.00 0.00 55.97 52.83 1wii s LYS 15 Cb 0.00 0.32 0.00 0.00 -1.46 0.00 0.00 37.83 36.69 1wii s LYS 15 CO 0.00 -0.36 1.52 1.41 0.16 0.00 0.00 175.35 178.08 1wii s MET 16 N -4.01 3.42 0.07 4.03 1.75 -1.26 -5.00 119.30 118.31 1wii s MET 16 Ca 0.21 0.94 0.01 0.00 -1.25 0.00 0.00 55.69 55.59 1wii s MET 16 Cb 0.05 -4.10 -0.04 0.00 2.84 0.00 0.00 34.83 33.58 1wii s MET 16 CO 0.01 -1.76 0.21 -0.08 -0.65 0.00 0.00 175.02 172.76 1wii s THR 17 N 6.05 5.34 -0.42 10.11 -1.32 -1.26 -5.08 115.64 129.06 1wii s THR 17 Ca 0.64 -0.45 0.05 0.00 -1.21 0.00 0.00 61.69 60.71 1wii s THR 17 Cb -0.15 -3.63 0.17 0.00 -1.51 0.00 0.00 72.50 67.39 1wii s THR 17 CO 0.31 0.10 0.46 -0.83 -2.21 0.00 0.00 174.62 172.46 1wii s GLY 18 N -2.61 0.04 -0.29 6.08 0.00 -1.26 -5.11 107.32 104.16 1wii s GLY 18 Ca 0.35 -1.32 -0.22 0.00 0.00 0.00 0.00 44.72 43.53 1wii s GLY 18 CO 0.28 2.79 1.28 -1.08 0.00 0.00 0.00 173.10 176.37 1wii s THR 19 N 0.82 0.00 -1.14 0.90 -1.32 -1.26 -5.07 115.64 108.58 1wii s THR 19 Ca 0.26 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.49 1wii s THR 19 Cb -0.05 -1.00 -0.17 0.00 -1.51 0.00 0.00 72.50 69.77 1wii s THR 19 CO -0.09 0.00 2.04 -0.76 -2.21 0.00 0.00 174.62 173.59 1wii s LEU 20 N 0.42 2.64 0.37 9.08 1.43 -1.26 -4.91 118.68 126.46 1wii s LEU 20 Ca 0.02 -1.30 -0.24 0.00 -1.03 0.00 0.00 54.13 51.58 1wii s LEU 20 Cb -0.04 -2.60 -0.10 0.00 0.03 0.00 0.00 46.19 43.48 1wii s LEU 20 CO -0.13 -4.07 0.98 -1.83 0.23 0.00 0.00 176.35 171.53 1wii s GLU 21 N 7.60 4.36 -0.10 1.70 -1.05 -1.26 -4.93 118.70 125.02 1wii s GLU 21 Ca 0.76 1.32 -0.02 0.00 -0.15 0.00 0.00 54.97 56.88 1wii s GLU 21 Cb -0.03 -2.55 -0.01 0.00 -0.44 0.00 0.00 34.13 31.10 1wii s GLU 21 CO 0.16 0.07 2.43 0.25 0.95 0.00 0.00 175.26 179.13 1wii n THR 22 N 0.04 2.49 -3.96 1.83 -2.24 -1.26 -4.81 114.28 106.38 1wii n THR 22 Ca 0.04 -1.16 -0.11 0.00 -2.27 0.00 0.00 64.05 60.55 1wii n THR 22 Cb 0.51 -1.59 -0.13 0.00 -2.10 0.00 0.00 70.33 67.03 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 -0.28 0.21 0.18 -0.78 -0.21 -1.26 -3.68 119.66 113.85 1wii s GLN 23 Ca 0.26 -0.33 -0.15 0.00 0.02 0.00 0.00 55.36 55.16 1wii s GLN 23 Cb 0.15 -0.01 0.02 0.00 1.00 0.00 0.00 33.01 34.17 1wii s GLN 23 CO -0.02 -0.01 0.45 -0.06 -2.12 0.00 0.00 175.29 173.54 1wii s PHE 24 N -0.73 0.02 0.27 0.91 0.40 -1.25 -4.99 117.98 112.61 1wii s PHE 24 Ca -0.07 -0.37 -0.29 0.00 -0.60 0.00 0.00 56.93 55.60 1wii s PHE 24 Cb -0.05 0.27 -0.09 0.00 0.51 0.00 0.00 43.02 43.65 1wii s PHE 24 CO -0.00 -0.86 0.98 0.99 0.70 0.00 0.00 175.22 177.03 1wii s THR 25 N -3.90 3.95 -0.36 0.64 2.01 -1.26 -3.46 115.64 113.26 1wii s THR 25 Ca 0.11 1.87 -0.16 0.00 0.31 0.00 0.00 61.69 63.82 1wii s THR 25 Cb 0.00 -4.15 -0.00 0.00 0.01 0.00 0.00 72.50 68.36 1wii s THR 25 CO -0.02 0.37 0.38 0.00 -0.69 0.00 0.00 174.62 174.65 1wii n PRO 27 N 5.43 0.11 0.05 0.00 -0.04 -1.26 0.10 135.00 139.39 1wii n PRO 27 Ca -0.09 0.35 -0.07 0.00 -0.04 0.00 0.00 63.50 63.65 1wii n PRO 27 Cb 0.49 -1.71 -0.05 0.00 -0.04 0.00 0.00 33.50 32.19 1wii n PRO 27 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1wii h PHE 28 N 0.00 -0.20 0.00 0.54 -1.00 -2.03 -3.41 116.94 110.84 1wii h PHE 28 Ca 0.00 -0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.48 1wii h PHE 28 Cb 0.31 0.07 -0.05 0.00 3.61 0.00 0.00 35.95 39.89 1wii h PHE 28 CO 0.00 0.08 -2.11 0.00 -1.61 0.00 0.00 178.31 174.67 1wii n ASN 30 N -3.05 -1.81 -3.61 0.00 4.13 0.28 -5.05 115.26 106.16 1wii n ASN 30 Ca -0.34 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 55.62 1wii n ASN 30 Cb 0.88 -0.90 -0.14 0.00 -1.54 0.00 0.00 39.78 38.07 1wii n ASN 30 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1wii s HIS 31 N -0.76 0.98 -0.36 3.10 3.76 -1.26 -4.97 115.29 115.79 1wii s HIS 31 Ca 0.00 -1.39 -0.33 0.00 -0.15 0.00 0.00 55.06 53.19 1wii s HIS 31 Cb 0.00 -1.26 -0.14 0.00 1.11 0.00 0.00 32.58 32.29 1wii s HIS 31 CO 0.00 -0.84 1.23 -1.91 -0.85 0.00 0.00 174.74 172.37 1wii n GLU 32 N 4.82 0.00 -2.68 1.40 2.13 -1.26 -2.71 120.64 122.34 1wii n GLU 32 Ca -0.01 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.77 1wii n GLU 32 Cb 0.41 -1.07 0.01 0.00 0.27 0.00 0.00 31.44 31.05 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 3.44 -2.59 -2.24 5.31 5.02 -1.26 -5.01 118.16 120.82 1wii n LYS 33 Ca 0.26 2.23 -0.02 0.00 -2.02 0.00 0.00 58.31 58.76 1wii n LYS 33 Cb -0.04 -5.18 0.08 0.00 -0.02 0.00 0.00 35.03 29.87 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 0.07 -1.13 -3.83 4.39 7.64 -1.10 -5.03 113.62 114.63 1wii n SER 34 Ca 0.07 -1.93 -0.13 0.00 1.01 0.00 0.00 58.87 57.89 1wii n SER 34 Cb 0.25 0.51 -0.14 0.00 -1.01 0.00 0.00 64.21 63.83 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 0.21 3.08 -0.33 0.00 -1.08 -0.41 -3.82 116.67 114.32 1wii s ASP 36 Ca -0.01 -0.60 -0.12 0.00 -0.52 0.00 0.00 52.55 51.30 1wii s ASP 36 Cb -0.02 -1.43 -0.01 0.00 -1.46 0.00 0.00 42.92 39.99 1wii s ASP 36 CO -0.01 0.07 0.20 -0.69 0.52 0.00 0.00 175.17 175.27 1wii s VAL 37 N 0.88 4.98 -0.59 1.11 1.01 -1.24 -1.73 120.40 124.82 1wii s VAL 37 Ca -0.06 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 61.44 1wii s VAL 37 Cb -0.15 -3.56 0.15 0.00 0.00 0.00 0.00 36.38 32.81 1wii s VAL 37 CO -0.03 0.00 0.54 -0.54 0.00 0.00 0.00 175.10 175.07 1wii s LYS 38 N 1.67 3.06 -0.88 2.72 3.01 0.97 -4.96 119.74 125.33 1wii s LYS 38 Ca 0.05 -1.88 -0.25 0.00 -1.01 0.00 0.00 55.97 52.89 1wii s LYS 38 Cb -0.17 -4.28 0.04 0.00 -1.01 0.00 0.00 37.83 32.41 1wii s LYS 38 CO 0.09 -1.31 1.36 -1.64 0.51 0.00 0.00 175.35 174.36 1wii s MET 39 N 1.27 3.40 -0.59 1.68 -1.94 -1.26 -0.89 119.30 120.96 1wii s MET 39 Ca 0.06 -0.72 -0.24 0.00 -1.71 0.00 0.00 55.69 53.08 1wii s MET 39 Cb -0.26 -4.79 0.05 0.00 2.01 0.00 0.00 34.83 31.84 1wii s MET 39 CO 0.00 -2.17 0.97 0.34 -0.01 0.00 0.00 175.02 174.16 1wii s ASP 40 N 4.36 6.28 -0.01 3.03 -1.08 -1.20 -4.92 116.67 123.12 1wii s ASP 40 Ca 0.40 -0.53 -0.12 0.00 -0.52 0.00 0.00 52.55 51.79 1wii s ASP 40 Cb -0.04 -2.44 -0.06 0.00 -1.46 0.00 0.00 42.92 38.92 1wii s ASP 40 CO 0.02 -1.33 0.67 0.03 0.52 0.00 0.00 175.17 175.09 1wii h ARG 41 N 9.43 -0.40 -1.42 4.34 2.47 -1.93 0.85 114.38 127.72 1wii h ARG 41 Ca -0.27 0.03 0.48 0.00 -1.26 0.00 0.00 59.98 58.96 1wii h ARG 41 Cb 1.07 0.09 -0.13 0.00 -1.65 0.00 0.00 29.97 29.35 1wii h ARG 41 CO 1.13 -0.27 0.93 0.00 0.56 0.00 0.00 179.97 182.31 1wii h ALA 42 N -1.50 2.91 0.00 0.04 0.00 -1.99 1.52 119.26 120.23 1wii h ALA 42 Ca -0.04 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 1wii h ALA 42 Cb 0.32 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1wii h ALA 42 CO 0.07 -1.59 -1.66 0.54 0.00 0.00 0.00 179.25 176.61 1wii n ARG 43 N -4.67 0.64 -2.35 0.00 3.00 -1.21 -4.98 116.66 107.08 1wii n ARG 43 Ca 0.40 0.11 -0.13 0.00 -0.01 0.00 0.00 57.85 58.22 1wii n ARG 43 Cb 1.59 -1.71 0.00 0.00 0.00 0.00 0.00 32.46 32.34 1wii n ARG 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1wii n ASN 44 N -2.75 -4.16 -3.66 0.55 4.13 0.52 -4.95 115.26 104.94 1wii n ASN 44 Ca -0.12 -0.05 -0.20 0.00 1.68 0.00 0.00 54.58 55.88 1wii n ASN 44 Cb 0.84 -3.28 -0.17 0.00 -1.54 0.00 0.00 39.78 35.63 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 -0.13 -0.02 3.41 2.01 -0.59 0.50 115.64 118.10 1wii s THR 45 Ca 0.04 0.32 -0.27 0.00 0.31 0.00 0.00 61.69 62.09 1wii s THR 45 Cb -0.02 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.21 1wii s THR 45 CO 0.05 0.10 0.85 -0.83 -0.69 0.00 0.00 174.62 174.10 1wii s GLY 46 N 2.19 2.79 -0.19 4.40 0.00 0.22 -3.27 107.32 113.46 1wii s GLY 46 Ca 0.04 0.36 -0.01 0.00 0.00 0.00 0.00 44.72 45.11 1wii s GLY 46 CO -0.04 1.44 -0.13 0.14 0.00 0.00 0.00 173.10 174.51 1wii s VAL 47 N 0.84 2.72 0.27 1.40 1.01 -0.07 -1.47 120.40 125.10 1wii s VAL 47 Ca 0.45 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.78 1wii s VAL 47 Cb -0.20 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1wii s VAL 47 CO 0.24 0.49 0.22 -0.51 0.00 0.00 0.00 175.10 175.54 1wii s ILE 48 N 1.22 4.18 0.23 2.22 2.07 -0.11 -0.02 121.20 130.99 1wii s ILE 48 Ca 0.02 -1.41 -0.18 0.00 -1.41 0.00 0.00 60.65 57.68 1wii s ILE 48 Cb -0.14 -3.33 0.02 0.00 0.13 0.00 0.00 42.46 39.14 1wii s ILE 48 CO -0.06 -0.30 0.58 -0.94 -1.91 0.00 0.00 174.94 172.31 1wii s SER 49 N -3.88 -0.23 0.34 4.50 1.04 -0.70 -1.34 113.70 113.42 1wii s SER 49 Ca 0.35 -0.61 0.09 0.00 0.48 0.00 0.00 55.95 56.26 1wii s SER 49 Cb -0.07 0.63 -0.05 0.00 0.10 0.00 0.00 66.02 66.63 1wii s SER 49 CO 0.25 -1.17 0.04 0.00 0.98 0.00 0.00 173.24 173.35 1wii n THR 51 N -1.00 1.88 0.04 0.00 -2.24 -0.47 -4.34 114.28 108.16 1wii n THR 51 Ca -0.04 -2.90 0.00 0.00 -2.27 0.00 0.00 64.05 58.84 1wii n THR 51 Cb 0.62 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.89 0.00 0.07 2.28 0.31 -1.26 -4.90 118.33 113.94 1wii n VAL 52 Ca 0.17 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.60 1wii n VAL 52 Cb 0.75 -0.47 -0.04 0.00 -0.91 0.00 0.00 33.84 33.17 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 -2.63 -2.88 -4.77 0.00 4.77 -1.26 -5.08 117.00 105.15 1wii n LEU 54 Ca -0.03 -0.17 -0.26 0.00 -0.03 0.00 0.00 56.01 55.52 1wii n LEU 54 Cb 0.60 -1.17 -0.06 0.00 -2.33 0.00 0.00 43.42 40.46 1wii n LEU 54 CO 0.42 0.03 -0.13 -1.83 -1.33 0.00 0.00 177.39 174.54 1wii s GLU 55 N -3.43 2.22 -0.16 3.23 4.04 -1.26 -4.94 118.70 118.40 1wii s GLU 55 Ca 0.11 -1.96 -0.26 0.00 0.04 0.00 0.00 54.97 52.90 1wii s GLU 55 Cb -0.01 -1.94 0.07 0.00 0.02 0.00 0.00 34.13 32.26 1wii s GLU 55 CO 0.18 -0.24 0.66 -2.00 -1.84 0.00 0.00 175.26 172.03 1wii s GLU 56 N -3.97 0.90 -0.03 -4.83 2.12 -1.26 -2.32 118.70 109.31 1wii s GLU 56 Ca 0.35 0.61 -0.05 0.00 0.36 0.00 0.00 54.97 56.24 1wii s GLU 56 Cb 0.03 0.43 0.01 0.00 0.26 0.00 0.00 34.13 34.85 1wii s GLU 56 CO 0.20 -0.19 0.13 0.12 -0.54 0.00 0.00 175.26 174.97 1wii s PHE 57 N -0.35 -0.06 0.15 5.30 5.36 -0.45 -4.99 117.98 122.94 1wii s PHE 57 Ca -0.05 0.14 0.08 0.00 -0.96 0.00 0.00 56.93 56.14 1wii s PHE 57 Cb -0.03 0.00 -0.04 0.00 -0.34 0.00 0.00 43.02 42.61 1wii s PHE 57 CO 0.05 -0.16 -0.10 -0.65 -1.46 0.00 0.00 175.22 172.90 1wii s GLN 58 N -0.54 2.06 -0.27 10.12 -0.21 -1.26 -0.94 119.66 128.62 1wii s GLN 58 Ca -0.06 -1.18 -0.25 0.00 0.02 0.00 0.00 55.36 53.89 1wii s GLN 58 Cb -0.04 -2.21 0.09 0.00 1.00 0.00 0.00 33.01 31.85 1wii s GLN 58 CO 0.01 0.46 0.82 -0.08 -2.12 0.00 0.00 175.29 174.38 1wii s THR 59 N -1.50 0.00 -0.08 -0.19 -1.32 -0.54 -5.01 115.64 107.00 1wii s THR 59 Ca 0.23 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.42 1wii s THR 59 Cb -0.10 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.85 1wii s THR 59 CO 0.14 0.00 1.51 -2.16 -2.21 0.00 0.00 174.62 171.90 1wii s PRO 60 N 0.39 4.21 0.44 7.08 0.04 -1.26 0.71 135.00 146.61 1wii s PRO 60 Ca 0.01 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.10 1wii s PRO 60 Cb -0.05 -3.87 -0.05 0.00 0.04 0.00 0.00 34.50 30.58 1wii s PRO 60 CO -0.02 -0.77 0.03 0.96 0.04 0.00 0.00 177.00 177.23 1wii s ILE 61 N 3.66 1.44 0.26 0.56 -5.25 0.18 -4.80 121.20 117.24 1wii s ILE 61 Ca 0.67 -2.00 0.05 0.00 -0.99 0.00 0.00 60.65 58.37 1wii s ILE 61 Cb -0.30 -2.59 -0.02 0.00 2.95 0.00 0.00 42.46 42.51 1wii s ILE 61 CO 0.25 0.00 0.25 0.35 -1.79 0.00 0.00 174.94 174.00 1wii n THR 62 N -1.04 0.00 0.18 8.37 -2.24 -1.26 -4.24 114.28 114.05 1wii n THR 62 Ca -0.10 -1.77 0.05 0.00 -2.27 0.00 0.00 64.05 59.96 1wii n THR 62 Cb 0.67 0.91 0.49 0.00 -2.10 0.00 0.00 70.33 70.30 1wii n THR 62 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 1wii h TYR 63 N 1.81 0.12 0.00 4.78 -0.00 -1.97 -2.19 116.97 119.52 1wii h TYR 63 Ca -0.18 -0.01 -0.21 0.00 -0.00 0.00 0.00 58.73 58.33 1wii h TYR 63 Cb 0.92 -0.04 -0.03 0.00 -0.00 0.00 0.00 36.73 37.58 1wii h TYR 63 CO 0.00 0.21 -1.11 -0.07 -0.00 0.00 0.00 178.16 177.19 1wii h LEU 64 N 0.12 0.00 -9.47 0.10 3.38 -2.05 -3.47 115.31 103.92 1wii h LEU 64 Ca 0.03 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.49 1wii h LEU 64 Cb 0.23 0.00 0.23 0.00 0.09 0.00 0.00 40.66 41.22 1wii h LEU 64 CO 0.01 0.88 -1.37 -1.20 0.09 0.00 0.00 178.44 176.85 1wii n SER 65 N -3.22 -3.06 -4.21 -0.43 7.64 -0.82 -5.03 113.62 104.49 1wii n SER 65 Ca -0.04 0.09 -0.13 0.00 1.01 0.00 0.00 58.87 59.80 1wii n SER 65 Cb 0.92 -0.91 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 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 -2.99 0.97 0.06 1.43 2.02 -1.26 -4.88 118.70 114.05 1wii s GLU 66 Ca 0.50 -1.42 0.16 0.00 0.02 0.00 0.00 54.97 54.23 1wii s GLU 66 Cb -0.12 -0.38 0.69 0.00 0.10 0.00 0.00 34.13 34.42 1wii s GLU 66 CO 0.70 -0.00 1.51 -0.35 0.02 0.00 0.00 175.26 177.13 1wii n PRO 67 N -0.14 0.04 0.01 0.39 -0.04 -1.26 -2.65 135.00 131.35 1wii n PRO 67 Ca -0.10 0.29 -0.16 0.00 -0.04 0.00 0.00 63.50 63.49 1wii n PRO 67 Cb 0.61 -1.58 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 1wii n PRO 67 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1wii h VAL 68 N 0.00 0.84 -0.23 0.52 3.04 -1.96 -3.38 116.25 115.09 1wii h VAL 68 Ca 0.00 -2.59 -0.00 0.00 -1.01 0.00 0.00 66.70 63.10 1wii h VAL 68 Cb 0.27 2.55 -0.01 0.00 -2.01 0.00 0.00 31.29 32.09 1wii h VAL 68 CO 0.00 0.74 0.14 -0.78 -1.01 0.00 0.00 177.57 176.66 1wii h ASP 69 N 0.05 0.27 -1.01 3.17 3.58 -1.92 -2.54 116.42 118.02 1wii h ASP 69 Ca -0.33 -0.04 0.30 0.00 0.42 0.00 0.00 57.03 57.38 1wii h ASP 69 Cb 2.02 -0.07 -0.14 0.00 1.72 0.00 0.00 39.33 42.86 1wii h ASP 69 CO 0.11 0.23 0.58 0.58 -2.88 0.00 0.00 179.24 177.86 1wii h VAL 70 N 0.28 0.37 0.36 2.25 2.07 -1.73 0.66 116.25 120.51 1wii h VAL 70 Ca 0.08 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1wii h VAL 70 Cb 0.01 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.72 1wii h VAL 70 CO -0.02 0.07 -0.17 0.22 0.02 0.00 0.00 177.57 177.70 1wii h TYR 71 N 0.40 -0.44 -0.85 1.57 3.20 -1.63 -1.63 116.97 117.58 1wii h TYR 71 Ca 0.71 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.67 1wii h TYR 71 Cb 1.56 0.15 -0.07 0.00 1.54 0.00 0.00 36.73 39.90 1wii h TYR 71 CO -0.01 -0.15 0.50 1.03 -1.64 0.00 0.00 178.16 177.89 1wii h SER 72 N -0.72 0.72 -0.43 -2.11 0.87 -0.93 -1.74 113.55 109.21 1wii h SER 72 Ca -0.05 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1wii h SER 72 Cb 0.50 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1wii h SER 72 CO 0.08 0.41 0.23 0.44 -0.53 0.00 0.00 176.83 177.46 1wii h ASP 73 N 0.83 0.54 -0.92 6.23 3.32 -0.88 -2.49 116.42 123.04 1wii h ASP 73 Ca 0.41 -0.09 0.14 0.00 0.02 0.00 0.00 57.03 57.51 1wii h ASP 73 Cb 0.37 -0.14 -0.08 0.00 0.22 0.00 0.00 39.33 39.71 1wii h ASP 73 CO -0.25 0.48 0.59 -0.25 -1.72 0.00 0.00 179.24 178.09 1wii h TRP 74 N 0.56 0.90 0.47 4.55 7.01 -0.39 0.33 115.95 129.38 1wii h TRP 74 Ca 0.15 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 1wii h TRP 74 Cb 0.06 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 26.84 1wii h TRP 74 CO -0.02 0.33 -0.23 0.82 -2.79 0.00 0.00 178.44 176.55 1wii h ILE 75 N 0.76 0.00 -0.04 2.65 1.08 -1.08 -1.71 117.51 119.16 1wii h ILE 75 Ca 0.47 -0.02 0.01 0.00 -0.39 0.00 0.00 64.86 64.93 1wii h ILE 75 Cb 0.69 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.44 1wii h ILE 75 CO -0.23 0.00 0.03 0.44 -0.69 0.00 0.00 178.15 177.70 1wii h ASP 76 N -0.66 0.00 -0.34 1.72 5.19 -1.36 -0.34 116.42 120.63 1wii h ASP 76 Ca -0.06 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.28 1wii h ASP 76 Cb 0.49 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 1wii h ASP 76 CO 0.11 0.00 -0.00 0.00 -3.12 0.00 0.00 179.24 176.22 1wii h ALA 77 N 1.97 1.19 0.09 3.45 0.00 -0.17 -3.20 119.26 122.58 1wii h ALA 77 Ca 0.02 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.47 1wii h ALA 77 Cb 0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1wii h ALA 77 CO -0.00 0.53 -1.05 0.00 0.00 0.00 0.00 179.25 178.74 1wii n GLU 79 N -4.14 -0.06 -1.27 0.00 1.02 -0.25 -4.44 120.64 111.50 1wii n GLU 79 Ca -0.21 1.14 -0.36 0.00 -0.02 0.00 0.00 57.16 57.70 1wii n GLU 79 Cb 0.79 -1.83 0.07 0.00 -0.02 0.00 0.00 31.44 30.45 1wii n GLU 79 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wii n SER 80 N -5.02 -0.95 0.00 1.62 7.64 -1.22 -4.19 113.62 111.49 1wii n SER 80 Ca 0.20 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.68 1wii n SER 80 Cb 0.64 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 1wii n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wii n GLY 81 N 1.56 2.19 3.61 0.23 0.00 -1.26 -5.06 105.19 106.45 1wii n GLY 81 Ca 0.10 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 -0.81 -0.52 1.61 0.04 -1.26 -4.93 135.00 129.13 1wii s PRO 82 Ca 0.00 0.09 -0.03 0.00 0.04 0.00 0.00 61.00 61.10 1wii s PRO 82 Cb 0.00 -1.63 0.17 0.00 0.04 0.00 0.00 34.50 33.08 1wii s PRO 82 CO 0.00 -3.47 2.46 -1.13 0.04 0.00 0.00 177.00 174.90 1wii n SER 83 N -4.62 6.77 -2.00 6.66 3.41 -1.26 -4.92 113.62 117.65 1wii n SER 83 Ca 0.11 -3.35 0.00 0.00 -0.26 0.00 0.00 58.87 55.37 1wii n SER 83 Cb 0.59 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 1wii n SER 83 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wii n SER 84 N 0.39 -8.71 0.00 4.04 2.88 -1.26 -5.26 113.62 105.70 1wii n SER 84 Ca 0.48 1.32 0.00 0.00 -1.33 0.00 0.00 58.87 59.34 1wii n SER 84 Cb 0.50 -4.92 0.00 0.00 -0.75 0.00 0.00 64.21 59.05 1wii n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42