#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 -3.97 -3.62 1.61 7.64 -1.26 -5.08 113.62 108.94 1wii n SER 2 Ca 0.00 1.54 -0.10 0.00 1.01 0.00 0.00 58.87 61.31 1wii n SER 2 Cb 0.00 -5.09 -0.04 0.00 -1.01 0.00 0.00 64.21 58.07 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 -0.61 -0.32 0.00 6.43 1.04 -1.26 -5.17 113.70 113.82 1wii s SER 3 Ca -0.17 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1wii s SER 3 Cb 0.01 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1wii s SER 3 CO 0.46 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1wii n GLY 4 N -0.30 0.96 3.02 7.32 0.00 -1.26 -5.05 105.19 109.88 1wii n GLY 4 Ca -0.14 -2.01 -0.31 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.05 4.55 0.09 1.61 0.15 -1.26 -5.01 113.70 112.77 1wii s SER 5 Ca 0.00 -1.78 -0.35 0.00 0.70 0.00 0.00 55.95 54.52 1wii s SER 5 Cb 0.00 -1.53 -0.16 0.00 -1.71 0.00 0.00 66.02 62.61 1wii s SER 5 CO 0.00 -0.30 1.55 0.77 1.20 0.00 0.00 173.24 176.45 1wii h SER 6 N 7.72 -1.42 -0.42 5.45 4.64 -2.07 -3.44 113.55 124.01 1wii h SER 6 Ca -0.11 0.12 0.22 0.00 -0.47 0.00 0.00 61.79 61.56 1wii h SER 6 Cb 1.03 0.48 -0.22 0.00 -0.31 0.00 0.00 62.40 63.39 1wii h SER 6 CO 0.49 -0.64 0.14 -0.83 -0.87 0.00 0.00 176.83 175.12 1wii s GLY 7 N -2.11 -0.33 -0.29 -0.77 0.00 -1.26 -5.12 107.32 97.44 1wii s GLY 7 Ca -0.17 2.79 -0.34 0.00 0.00 0.00 0.00 44.72 47.00 1wii s GLY 7 CO 0.59 3.71 1.12 -2.13 0.00 0.00 0.00 173.10 176.39 1wii n ARG 8 N 5.39 0.00 -4.25 2.90 3.00 -1.26 -4.92 116.66 117.51 1wii n ARG 8 Ca -0.07 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.47 1wii n ARG 8 Cb 0.54 -1.14 -0.09 0.00 0.00 0.00 0.00 32.46 31.77 1wii n ARG 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1wii s LYS 9 N 1.72 2.56 0.95 -0.14 0.00 -1.26 -5.12 119.74 118.45 1wii s LYS 9 Ca 0.77 -0.78 -0.12 0.00 0.00 0.00 0.00 55.97 55.85 1wii s LYS 9 Cb -1.10 -2.54 0.16 0.00 0.00 0.00 0.00 37.83 34.36 1wii s LYS 9 CO 0.58 0.57 1.09 -1.25 0.00 0.00 0.00 175.35 176.34 1wii s PRO 10 N -1.91 0.81 0.50 1.78 0.04 -1.26 -5.01 135.00 129.94 1wii s PRO 10 Ca 0.22 0.66 -0.21 0.00 0.04 0.00 0.00 61.00 61.70 1wii s PRO 10 Cb -0.11 -1.77 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 1wii s PRO 10 CO 0.13 -2.51 1.15 -1.25 0.04 0.00 0.00 177.00 174.57 1wii s PRO 11 N -4.95 3.59 -0.59 0.56 0.04 -1.26 -4.94 135.00 127.45 1wii s PRO 11 Ca 0.64 1.70 -0.27 0.00 0.04 0.00 0.00 61.00 63.12 1wii s PRO 11 Cb -0.18 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 1wii s PRO 11 CO 0.57 -0.68 1.85 -1.25 0.04 0.00 0.00 177.00 177.53 1wii s PRO 12 N -2.95 2.69 0.27 0.56 0.04 -1.26 -4.98 135.00 129.37 1wii s PRO 12 Ca 0.67 0.67 -0.14 0.00 0.04 0.00 0.00 61.00 62.24 1wii s PRO 12 Cb -0.27 -4.37 -0.08 0.00 0.04 0.00 0.00 34.50 29.82 1wii s PRO 12 CO 0.31 -2.65 0.67 0.15 0.04 0.00 0.00 177.00 175.52 1wii s LYS 13 N 6.91 3.98 0.22 4.56 1.02 -1.26 -5.08 119.74 130.09 1wii s LYS 13 Ca 0.68 0.58 -0.22 0.00 0.02 0.00 0.00 55.97 57.02 1wii s LYS 13 Cb -0.13 -2.58 0.05 0.00 -0.52 0.00 0.00 37.83 34.64 1wii s LYS 13 CO 0.22 0.25 0.87 -1.59 -0.92 0.00 0.00 175.35 174.19 1wii s LYS 14 N -2.73 1.52 0.00 1.68 0.00 -1.26 -5.07 119.74 113.88 1wii s LYS 14 Ca 0.50 -0.88 0.00 0.00 0.00 0.00 0.00 55.97 55.59 1wii s LYS 14 Cb -0.12 0.49 0.00 0.00 0.00 0.00 0.00 37.83 38.21 1wii s LYS 14 CO 0.19 -0.70 0.00 1.63 0.00 0.00 0.00 175.35 176.47 1wii n LYS 15 N -0.50 0.00 -2.69 1.78 5.02 -1.26 -5.12 118.16 115.39 1wii n LYS 15 Ca -0.05 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.20 1wii n LYS 15 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.58 1wii n LYS 15 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1wii n MET 16 N -1.38 -3.95 -3.46 1.97 1.56 -1.26 -4.96 117.12 105.64 1wii n MET 16 Ca 0.00 3.05 -0.37 0.00 -0.27 0.00 0.00 57.70 60.11 1wii n MET 16 Cb 0.00 -4.63 -0.07 0.00 2.15 0.00 0.00 33.22 30.67 1wii n MET 16 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1wii s THR 17 N -0.83 5.26 -0.53 1.12 -1.32 -1.26 -5.04 115.64 113.04 1wii s THR 17 Ca -0.19 0.70 0.04 0.00 -1.21 0.00 0.00 61.69 61.02 1wii s THR 17 Cb 0.01 -3.70 0.16 0.00 -1.51 0.00 0.00 72.50 67.46 1wii s THR 17 CO 0.70 0.37 0.36 -0.83 -2.21 0.00 0.00 174.62 173.01 1wii s GLY 18 N 0.47 1.99 -0.20 6.08 0.00 -1.26 -5.07 107.32 109.33 1wii s GLY 18 Ca 0.20 -3.00 -0.13 0.00 0.00 0.00 0.00 44.72 41.79 1wii s GLY 18 CO 0.06 1.55 0.50 -1.59 0.00 0.00 0.00 173.10 173.62 1wii s THR 19 N -0.39 -0.01 -0.76 0.90 2.01 -1.26 -5.11 115.64 111.02 1wii s THR 19 Ca 0.25 0.05 -0.13 0.00 0.31 0.00 0.00 61.69 62.17 1wii s THR 19 Cb -0.08 -0.73 0.20 0.00 0.01 0.00 0.00 72.50 71.90 1wii s THR 19 CO -0.12 0.02 0.69 -0.76 -0.69 0.00 0.00 174.62 173.76 1wii s LEU 20 N 1.22 6.50 0.36 4.42 1.43 -1.26 -5.05 118.68 126.30 1wii s LEU 20 Ca -0.08 -2.57 -0.28 0.00 -1.03 0.00 0.00 54.13 50.18 1wii s LEU 20 Cb -0.07 -2.17 -0.10 0.00 0.03 0.00 0.00 46.19 43.89 1wii s LEU 20 CO -0.12 -0.59 1.33 -1.83 0.23 0.00 0.00 176.35 175.37 1wii s GLU 21 N 0.36 4.22 -0.16 1.70 -1.05 -1.26 -4.89 118.70 117.62 1wii s GLU 21 Ca 0.15 2.24 0.00 0.00 -0.15 0.00 0.00 54.97 57.22 1wii s GLU 21 Cb -0.14 -2.97 0.14 0.00 -0.44 0.00 0.00 34.13 30.71 1wii s GLU 21 CO -0.07 -0.31 1.75 0.25 0.95 0.00 0.00 175.26 177.83 1wii n THR 22 N 0.57 2.15 -4.03 1.83 -2.24 -1.26 -4.81 114.28 106.48 1wii n THR 22 Ca 0.01 -0.93 -0.14 0.00 -2.27 0.00 0.00 64.05 60.73 1wii n THR 22 Cb 0.42 -1.22 -0.14 0.00 -2.10 0.00 0.00 70.33 67.29 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 -0.97 0.29 0.04 -0.78 1.11 -1.26 -3.93 119.66 114.16 1wii s GLN 23 Ca 0.17 -0.25 -0.07 0.00 0.01 0.00 0.00 55.36 55.22 1wii s GLN 23 Cb 0.13 -0.21 -0.01 0.00 -1.01 0.00 0.00 33.01 31.92 1wii s GLN 23 CO 0.01 0.05 0.12 -0.06 0.01 0.00 0.00 175.29 175.42 1wii s PHE 24 N -0.39 0.17 0.56 0.91 0.40 -1.21 -4.99 117.98 113.43 1wii s PHE 24 Ca -0.02 -0.46 -0.19 0.00 -0.60 0.00 0.00 56.93 55.66 1wii s PHE 24 Cb -0.03 -0.11 -0.05 0.00 0.51 0.00 0.00 43.02 43.33 1wii s PHE 24 CO -0.00 -0.39 1.13 0.99 0.70 0.00 0.00 175.22 177.65 1wii s THR 25 N -2.66 3.17 -0.27 0.64 2.01 -1.26 -3.09 115.64 114.18 1wii s THR 25 Ca -0.04 0.70 -0.08 0.00 0.31 0.00 0.00 61.69 62.58 1wii s THR 25 Cb -0.01 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 1wii s THR 25 CO -0.05 -0.18 0.09 0.00 -0.69 0.00 0.00 174.62 173.79 1wii h PRO 27 N 8.26 0.00 0.02 0.00 0.13 -1.97 1.90 132.00 140.34 1wii h PRO 27 Ca -0.36 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1wii h PRO 27 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1wii h PRO 27 CO 0.59 0.19 -0.01 0.74 -0.23 0.00 0.00 178.00 179.28 1wii h PHE 28 N 0.00 -0.02 0.00 1.56 -1.00 -2.01 -3.40 116.94 112.07 1wii h PHE 28 Ca -0.00 -0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 1wii h PHE 28 Cb 0.63 0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.19 1wii h PHE 28 CO 0.00 0.29 -1.20 0.00 -1.61 0.00 0.00 178.31 175.78 1wii n ASN 30 N -2.74 -5.36 -1.12 0.00 4.13 0.65 -4.99 115.26 105.82 1wii n ASN 30 Ca -0.07 0.90 -0.01 0.00 1.68 0.00 0.00 54.58 57.08 1wii n ASN 30 Cb 0.56 -3.72 0.14 0.00 -1.54 0.00 0.00 39.78 35.22 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 0.50 0.68 -2.85 3.10 -0.00 -1.26 -4.96 115.22 110.42 1wii n HIS 31 Ca -0.02 -1.57 -0.01 0.00 0.46 0.00 0.00 57.72 56.57 1wii n HIS 31 Cb 0.04 -0.26 -0.01 0.00 -0.12 0.00 0.00 29.99 29.64 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 -0.82 -2.67 -2.79 1.57 2.13 -1.26 -4.59 120.64 112.21 1wii n GLU 32 Ca 0.23 2.26 -0.02 0.00 0.66 0.00 0.00 57.16 60.29 1wii n GLU 32 Cb 0.81 -3.86 -0.02 0.00 0.27 0.00 0.00 31.44 28.64 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 1.15 -3.22 -2.70 5.31 5.02 -1.26 -5.01 118.16 117.44 1wii n LYS 33 Ca -0.06 2.59 -0.07 0.00 -2.02 0.00 0.00 58.31 58.75 1wii n LYS 33 Cb 0.23 -4.16 0.12 0.00 -0.02 0.00 0.00 35.03 31.20 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 1.36 -1.81 -3.71 4.39 7.64 -1.18 -4.96 113.62 115.36 1wii n SER 34 Ca -0.15 -2.45 -0.14 0.00 1.01 0.00 0.00 58.87 57.13 1wii n SER 34 Cb 0.31 0.97 -0.09 0.00 -1.01 0.00 0.00 64.21 64.38 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 -0.43 3.30 -0.25 0.00 2.15 -0.87 -3.31 116.67 117.26 1wii s ASP 36 Ca -0.06 -0.47 -0.09 0.00 0.43 0.00 0.00 52.55 52.36 1wii s ASP 36 Cb -0.03 -1.07 -0.04 0.00 -0.30 0.00 0.00 42.92 41.47 1wii s ASP 36 CO 0.03 0.23 0.13 -0.69 -0.17 0.00 0.00 175.17 174.70 1wii s VAL 37 N -0.04 5.01 -0.49 1.11 1.01 -1.25 -2.48 120.40 123.27 1wii s VAL 37 Ca -0.06 0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 1wii s VAL 37 Cb -0.15 -3.35 0.11 0.00 0.00 0.00 0.00 36.38 32.99 1wii s VAL 37 CO 0.05 0.33 0.42 -0.54 0.00 0.00 0.00 175.10 175.35 1wii s LYS 38 N 1.32 2.85 -0.85 2.72 -0.14 0.06 -4.96 119.74 120.73 1wii s LYS 38 Ca 0.06 -1.59 -0.24 0.00 -1.36 0.00 0.00 55.97 52.85 1wii s LYS 38 Cb -0.15 -4.13 0.06 0.00 -1.68 0.00 0.00 37.83 31.94 1wii s LYS 38 CO 0.06 -1.18 1.26 -1.64 -0.76 0.00 0.00 175.35 173.08 1wii s MET 39 N 1.55 3.37 -0.43 1.68 -1.94 -1.26 -1.00 119.30 121.27 1wii s MET 39 Ca 0.04 -0.89 -0.23 0.00 -1.71 0.00 0.00 55.69 52.90 1wii s MET 39 Cb -0.27 -4.70 0.02 0.00 2.01 0.00 0.00 34.83 31.89 1wii s MET 39 CO 0.03 -2.05 0.80 0.34 -0.01 0.00 0.00 175.02 174.13 1wii s ASP 40 N 4.13 6.45 -0.11 3.03 2.15 -1.14 -4.93 116.67 126.26 1wii s ASP 40 Ca 0.36 0.02 -0.10 0.00 0.43 0.00 0.00 52.55 53.26 1wii s ASP 40 Cb -0.06 -2.40 -0.09 0.00 -0.30 0.00 0.00 42.92 40.07 1wii s ASP 40 CO 0.02 -0.89 0.28 0.03 -0.17 0.00 0.00 175.17 174.44 1wii h ARG 41 N 8.88 -0.02 -0.98 4.34 2.47 -1.94 0.67 114.38 127.80 1wii h ARG 41 Ca -0.25 0.00 0.38 0.00 -1.26 0.00 0.00 59.98 58.85 1wii h ARG 41 Cb 1.09 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.27 1wii h ARG 41 CO 0.96 0.31 0.58 0.00 0.56 0.00 0.00 179.97 182.37 1wii n ALA 42 N -2.72 0.99 0.29 0.04 0.00 -1.26 0.15 120.51 118.01 1wii n ALA 42 Ca -0.03 0.82 0.06 0.00 0.00 0.00 0.00 53.44 54.29 1wii n ALA 42 Cb 0.16 -0.89 -0.09 0.00 0.00 0.00 0.00 19.45 18.64 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 -4.73 1.51 -3.40 0.00 5.12 -1.25 -5.02 116.66 108.89 1wii n ARG 43 Ca 0.33 -0.06 -0.18 0.00 -1.93 0.00 0.00 57.85 56.01 1wii n ARG 43 Cb 1.20 -1.22 0.08 0.00 -1.16 0.00 0.00 32.46 31.36 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 -1.65 -3.19 -3.65 0.55 3.02 0.39 -4.92 115.26 105.81 1wii n ASN 44 Ca -0.00 -0.56 -0.20 0.00 -0.03 0.00 0.00 54.58 53.78 1wii n ASN 44 Cb 0.28 -4.85 -0.17 0.00 -0.61 0.00 0.00 39.78 34.43 1wii n ASN 44 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wii s THR 45 N -3.33 -0.14 -0.26 3.41 2.01 0.35 -0.28 115.64 117.40 1wii s THR 45 Ca 0.16 0.30 -0.26 0.00 0.31 0.00 0.00 61.69 62.20 1wii s THR 45 Cb -0.07 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 72.17 1wii s THR 45 CO 0.69 0.08 0.88 -0.83 -0.69 0.00 0.00 174.62 174.75 1wii s GLY 46 N 2.19 1.72 -0.25 4.40 0.00 0.33 -2.88 107.32 112.83 1wii s GLY 46 Ca 0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 44.72 44.59 1wii s GLY 46 CO -0.05 1.91 0.00 0.14 0.00 0.00 0.00 173.10 175.10 1wii s VAL 47 N 3.01 3.54 0.34 1.40 1.01 -0.17 -1.72 120.40 127.80 1wii s VAL 47 Ca 0.37 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1wii s VAL 47 Cb -0.15 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 1wii s VAL 47 CO 0.09 0.27 0.37 -0.51 0.00 0.00 0.00 175.10 175.32 1wii s ILE 48 N 1.47 3.69 0.10 2.22 2.07 -0.31 -0.76 121.20 129.67 1wii s ILE 48 Ca 0.04 -1.22 -0.25 0.00 -1.41 0.00 0.00 60.65 57.81 1wii s ILE 48 Cb -0.16 -3.26 0.08 0.00 0.13 0.00 0.00 42.46 39.25 1wii s ILE 48 CO -0.01 -0.16 0.66 -0.94 -1.91 0.00 0.00 174.94 172.58 1wii s SER 49 N -4.08 -0.56 0.30 4.50 1.04 -1.03 -1.30 113.70 112.58 1wii s SER 49 Ca 0.43 0.13 0.07 0.00 0.48 0.00 0.00 55.95 57.05 1wii s SER 49 Cb -0.07 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 1wii s SER 49 CO 0.28 -0.86 0.32 0.00 0.98 0.00 0.00 173.24 173.97 1wii n THR 51 N -1.39 1.08 0.02 0.00 -2.24 -0.89 -4.14 114.28 106.72 1wii n THR 51 Ca -0.04 -1.11 0.00 0.00 -2.27 0.00 0.00 64.05 60.63 1wii n THR 51 Cb 0.59 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.49 0.40 0.34 2.28 0.31 -1.26 -4.80 118.33 115.10 1wii n VAL 52 Ca 0.02 0.13 0.11 0.00 -0.01 0.00 0.00 64.34 64.60 1wii n VAL 52 Cb 0.30 -1.52 -0.01 0.00 -0.91 0.00 0.00 33.84 31.71 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 -2.23 -3.17 -4.88 0.00 4.77 -1.26 -5.07 117.00 105.16 1wii n LEU 54 Ca 0.00 -0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 55.51 1wii n LEU 54 Cb 0.49 -1.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.13 1wii n LEU 54 CO 0.41 0.05 0.02 -1.61 -1.33 0.00 0.00 177.39 174.93 1wii s GLU 55 N -3.63 2.34 -0.23 3.23 0.41 -1.26 -4.89 118.70 114.66 1wii s GLU 55 Ca 0.13 -1.83 -0.27 0.00 -0.41 0.00 0.00 54.97 52.60 1wii s GLU 55 Cb -0.02 -2.20 0.11 0.00 -1.78 0.00 0.00 34.13 30.24 1wii s GLU 55 CO 0.25 -0.44 0.91 -2.00 -0.49 0.00 0.00 175.26 173.50 1wii s GLU 56 N -4.21 0.66 0.02 1.61 2.12 -1.26 -1.70 118.70 115.95 1wii s GLU 56 Ca 0.41 0.58 -0.05 0.00 0.36 0.00 0.00 54.97 56.26 1wii s GLU 56 Cb -0.02 0.32 -0.01 0.00 0.26 0.00 0.00 34.13 34.68 1wii s GLU 56 CO 0.24 -0.12 0.08 0.12 -0.54 0.00 0.00 175.26 175.04 1wii s PHE 57 N -0.12 0.16 0.12 5.30 5.36 -0.42 -4.97 117.98 123.40 1wii s PHE 57 Ca 0.00 -0.38 0.11 0.00 -0.96 0.00 0.00 56.93 55.70 1wii s PHE 57 Cb -0.04 -0.12 -0.04 0.00 -0.34 0.00 0.00 43.02 42.48 1wii s PHE 57 CO -0.01 -0.30 -0.26 -0.65 -1.46 0.00 0.00 175.22 172.54 1wii s GLN 58 N -1.90 1.48 -0.24 10.12 -0.21 -1.26 -1.16 119.66 126.49 1wii s GLN 58 Ca -0.11 -1.30 -0.26 0.00 0.02 0.00 0.00 55.36 53.71 1wii s GLN 58 Cb -0.05 -1.92 0.09 0.00 1.00 0.00 0.00 33.01 32.12 1wii s GLN 58 CO -0.01 0.46 0.81 -0.08 -2.12 0.00 0.00 175.29 174.34 1wii s THR 59 N -1.02 0.00 0.10 -0.19 -1.32 -0.70 -5.00 115.64 107.50 1wii s THR 59 Ca 0.14 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.31 1wii s THR 59 Cb -0.10 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.82 1wii s THR 59 CO 0.06 0.00 1.37 -2.16 -2.21 0.00 0.00 174.62 171.67 1wii s PRO 60 N 0.05 4.33 0.15 7.08 0.04 -1.26 0.12 135.00 145.51 1wii s PRO 60 Ca -0.01 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.09 1wii s PRO 60 Cb -0.04 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 1wii s PRO 60 CO 0.00 -0.42 0.09 0.44 0.04 0.00 0.00 177.00 177.15 1wii n ILE 61 N 3.99 0.00 -3.75 0.56 -6.64 0.62 -4.76 119.36 109.38 1wii n ILE 61 Ca 0.11 -0.99 -0.10 0.00 -1.77 0.00 0.00 62.75 60.01 1wii n ILE 61 Cb 0.43 0.44 -0.04 0.00 -1.44 0.00 0.00 39.64 39.03 1wii n ILE 61 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 1wii s THR 62 N -2.40 0.02 0.50 7.28 -4.23 -1.26 -4.40 115.64 111.16 1wii s THR 62 Ca 0.13 -0.80 0.28 0.00 -1.18 0.00 0.00 61.69 60.12 1wii s THR 62 Cb 0.01 -1.61 0.46 0.00 1.34 0.00 0.00 72.50 72.70 1wii s THR 62 CO 0.09 -0.11 1.87 0.10 -0.54 0.00 0.00 174.62 176.03 1wii h TYR 63 N 2.19 0.15 0.00 3.99 -0.00 -1.96 0.86 116.97 122.21 1wii h TYR 63 Ca -0.28 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.43 1wii h TYR 63 Cb 1.26 -0.05 -0.00 0.00 0.00 0.00 0.00 36.73 37.94 1wii h TYR 63 CO 0.35 0.03 -0.17 -0.07 -0.00 0.00 0.00 178.16 178.30 1wii h LEU 64 N 0.11 0.00-10.29 0.10 3.38 -2.05 -3.46 115.31 103.09 1wii h LEU 64 Ca 0.45 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.91 1wii h LEU 64 Cb 1.62 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.53 1wii h LEU 64 CO -0.06 0.09 0.27 -0.44 0.09 0.00 0.00 178.44 178.39 1wii s SER 65 N -6.18 3.75 0.23 -0.43 0.01 0.30 -5.05 113.70 106.32 1wii s SER 65 Ca 0.06 1.97 0.10 0.00 1.31 0.00 0.00 55.95 59.39 1wii s SER 65 Cb 0.06 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 1wii s SER 65 CO 0.69 -2.54 -0.10 -1.61 0.41 0.00 0.00 173.24 170.09 1wii s GLU 66 N -4.79 2.00 0.00 12.44 0.41 -1.26 -4.85 118.70 122.65 1wii s GLU 66 Ca 0.64 -1.45 0.14 0.00 -0.41 0.00 0.00 54.97 53.89 1wii s GLU 66 Cb -0.20 -2.05 0.64 0.00 -1.78 0.00 0.00 34.13 30.75 1wii s GLU 66 CO 0.57 0.39 1.44 -0.35 -0.49 0.00 0.00 175.26 176.81 1wii n PRO 67 N -0.38 0.06 0.00 0.39 -0.04 -1.26 -2.34 135.00 131.44 1wii n PRO 67 Ca -0.08 0.22 -0.04 0.00 -0.04 0.00 0.00 63.50 63.57 1wii n PRO 67 Cb 0.58 -1.50 -0.11 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 -1.44 1.33 -0.09 0.52 3.14 -1.26 -4.09 118.33 116.45 1wii n VAL 68 Ca 0.04 -0.74 -0.12 0.00 -2.96 0.00 0.00 64.34 60.57 1wii n VAL 68 Cb 0.15 -0.82 -0.04 0.00 -1.06 0.00 0.00 33.84 32.07 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 0.49 -0.81 6.55 1.82 -1.88 -2.76 116.42 119.82 1wii h ASP 69 Ca -0.23 -0.36 0.11 0.00 -0.39 0.00 0.00 57.03 56.16 1wii h ASP 69 Cb 1.77 -0.13 -0.06 0.00 0.68 0.00 0.00 39.33 41.59 1wii h ASP 69 CO 0.06 0.73 0.53 0.58 -1.61 0.00 0.00 179.24 179.53 1wii h VAL 70 N 0.24 0.92 0.28 2.25 2.07 -1.73 -1.64 116.25 118.64 1wii h VAL 70 Ca 0.07 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1wii h VAL 70 Cb 0.52 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1wii h VAL 70 CO 0.02 0.13 -0.13 0.22 0.02 0.00 0.00 177.57 177.83 1wii h TYR 71 N 0.71 -0.34 -0.80 1.57 3.20 -1.67 -2.74 116.97 116.89 1wii h TYR 71 Ca 0.38 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.38 1wii h TYR 71 Cb 0.52 0.11 -0.09 0.00 1.54 0.00 0.00 36.73 38.81 1wii h TYR 71 CO -0.00 -0.02 0.40 1.03 -1.64 0.00 0.00 178.16 177.93 1wii h SER 72 N -0.69 0.48 -0.40 -2.11 0.87 -1.16 -1.30 113.55 109.24 1wii h SER 72 Ca -0.04 0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.65 1wii h SER 72 Cb 0.48 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.40 1wii h SER 72 CO 0.06 0.22 0.14 0.44 -0.53 0.00 0.00 176.83 177.17 1wii h ASP 73 N 0.60 0.15 -1.00 6.23 3.32 -1.27 -1.77 116.42 122.68 1wii h ASP 73 Ca 0.43 0.04 0.16 0.00 0.02 0.00 0.00 57.03 57.68 1wii h ASP 73 Cb 0.57 0.03 -0.10 0.00 0.22 0.00 0.00 39.33 40.05 1wii h ASP 73 CO -0.34 0.12 0.62 -0.25 -1.72 0.00 0.00 179.24 177.67 1wii h TRP 74 N 0.30 1.08 0.77 4.55 7.01 -0.93 0.54 115.95 129.27 1wii h TRP 74 Ca 0.18 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.18 1wii h TRP 74 Cb 0.16 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 26.89 1wii h TRP 74 CO -0.15 0.33 -0.46 0.82 -2.79 0.00 0.00 178.44 176.19 1wii h ILE 75 N 0.85 0.08 0.00 2.65 1.08 -1.08 -0.91 117.51 120.18 1wii h ILE 75 Ca 0.54 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.99 1wii h ILE 75 Cb 0.73 0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 34.55 1wii h ILE 75 CO -0.32 0.00 -0.08 0.44 -0.69 0.00 0.00 178.15 177.50 1wii h ASP 76 N -1.15 0.00 0.53 1.72 3.32 -1.24 -1.07 116.42 118.53 1wii h ASP 76 Ca -0.10 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.82 1wii h ASP 76 Cb 0.92 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1wii h ASP 76 CO 0.11 0.08 -0.59 0.00 -1.72 0.00 0.00 179.24 177.12 1wii h ALA 77 N 1.92 0.98 0.11 3.45 0.00 0.54 -2.75 119.26 123.50 1wii h ALA 77 Ca -0.00 -0.54 -0.36 0.00 0.00 0.00 0.00 54.91 54.01 1wii h ALA 77 Cb 0.47 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1wii h ALA 77 CO 0.01 0.74 -1.96 0.00 0.00 0.00 0.00 179.25 178.03 1wii h GLU 79 N -0.04 0.92 -3.40 0.00 4.39 -1.27 -3.48 114.58 111.69 1wii h GLU 79 Ca -0.43 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1wii h GLU 79 Cb 1.95 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 30.37 1wii h GLU 79 CO 0.04 0.61 -0.31 0.45 -1.16 0.00 0.00 179.01 178.64 1wii n SER 80 N -4.64 -1.82 -3.42 1.42 2.88 -1.04 -5.00 113.62 101.99 1wii n SER 80 Ca 0.14 0.27 -0.27 0.00 -1.33 0.00 0.00 58.87 57.68 1wii n SER 80 Cb 0.24 -1.85 -0.08 0.00 -0.75 0.00 0.00 64.21 61.77 1wii n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wii n GLY 81 N 0.32 4.84 0.00 0.46 0.00 -1.26 -4.87 105.19 104.68 1wii n GLY 81 Ca -0.08 -2.78 0.08 0.00 0.00 0.00 0.00 46.02 43.24 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 0.84 0.38 -0.13 1.61 -0.04 -1.26 -4.07 135.00 132.33 1wii n PRO 82 Ca 0.30 0.05 -0.03 0.00 -0.04 0.00 0.00 63.50 63.78 1wii n PRO 82 Cb 0.41 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 1wii n PRO 82 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wii n SER 83 N -1.11 -0.33 -2.68 3.54 2.88 -1.26 -4.56 113.62 110.11 1wii n SER 83 Ca 0.10 1.18 -0.04 0.00 -1.33 0.00 0.00 58.87 58.78 1wii n SER 83 Cb 0.08 -0.39 0.05 0.00 -0.75 0.00 0.00 64.21 63.20 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 -3.67 -1.59 0.00 -3.46 2.88 -1.26 -5.34 113.62 101.18 1wii n SER 84 Ca 0.01 -1.56 0.00 0.00 -1.33 0.00 0.00 58.87 55.99 1wii n SER 84 Cb 0.08 0.85 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 1wii n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42