#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 -0.12 0.09 1.61 0.15 -1.26 -5.18 113.70 108.99 1wii s SER 2 Ca 0.00 -0.70 -0.09 0.00 0.70 0.00 0.00 55.95 55.86 1wii s SER 2 Cb 0.00 0.53 -0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1wii s SER 2 CO 0.00 -1.01 0.20 -0.94 1.20 0.00 0.00 173.24 172.69 1wii s SER 3 N -2.93 0.10 0.00 5.45 1.04 -1.26 -5.17 113.70 110.93 1wii s SER 3 Ca 0.14 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1wii s SER 3 Cb 0.01 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1wii s SER 3 CO 0.00 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1wii n GLY 4 N -0.07 -1.42 0.00 7.32 0.00 -1.26 -5.13 105.19 104.63 1wii n GLY 4 Ca -0.15 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1wii n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wii n SER 5 N 0.68 0.00 -3.64 1.61 3.41 -1.26 -5.15 113.62 109.26 1wii n SER 5 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1wii n SER 5 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 1wii n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wii s SER 6 N 0.00 0.36 -0.30 4.04 0.01 -1.26 -5.11 113.70 111.45 1wii s SER 6 Ca 0.00 0.56 -0.11 0.00 1.31 0.00 0.00 55.95 57.71 1wii s SER 6 Cb 0.00 0.75 0.19 0.00 0.21 0.00 0.00 66.02 67.17 1wii s SER 6 CO 0.00 -0.25 1.06 -0.83 0.41 0.00 0.00 173.24 173.63 1wii s GLY 7 N 2.44 -1.00 -0.30 3.44 0.00 -1.26 -5.15 107.32 105.48 1wii s GLY 7 Ca 0.02 2.02 -0.17 0.00 0.00 0.00 0.00 44.72 46.59 1wii s GLY 7 CO -0.09 4.14 1.13 -1.60 0.00 0.00 0.00 173.10 176.68 1wii s ARG 8 N 2.83 0.18 -0.46 2.90 6.06 -1.26 -5.11 118.95 124.09 1wii s ARG 8 Ca 0.27 0.40 0.03 0.00 -2.50 0.00 0.00 55.73 53.93 1wii s ARG 8 Cb -0.01 0.19 0.21 0.00 0.06 0.00 0.00 34.95 35.40 1wii s ARG 8 CO -0.22 -0.05 0.89 0.36 -2.50 0.00 0.00 175.30 173.78 1wii n LYS 9 N 4.34 0.44 -1.91 5.12 2.85 -1.26 -5.16 118.16 122.58 1wii n LYS 9 Ca -0.11 -1.57 -0.34 0.00 -1.05 0.00 0.00 58.31 55.24 1wii n LYS 9 Cb 0.55 -0.98 0.03 0.00 -0.65 0.00 0.00 35.03 33.98 1wii n LYS 9 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1wii s PRO 10 N 0.80 2.97 0.59 -1.58 0.04 -1.26 -5.02 135.00 131.55 1wii s PRO 10 Ca 0.28 1.46 -0.18 0.00 0.04 0.00 0.00 61.00 62.61 1wii s PRO 10 Cb 0.09 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1wii s PRO 10 CO -0.10 -1.13 1.12 -1.25 0.04 0.00 0.00 177.00 175.68 1wii s PRO 11 N -3.84 3.15 0.02 0.56 0.04 -1.26 -4.98 135.00 128.69 1wii s PRO 11 Ca 0.69 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.95 1wii s PRO 11 Cb -0.22 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 1wii s PRO 11 CO 0.37 -1.00 1.43 -1.25 0.04 0.00 0.00 177.00 176.59 1wii s PRO 12 N -3.59 4.28 -0.60 0.56 0.04 -1.26 -4.99 135.00 129.44 1wii s PRO 12 Ca 0.71 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.74 1wii s PRO 12 Cb -0.23 -3.54 0.15 0.00 0.04 0.00 0.00 34.50 30.93 1wii s PRO 12 CO 0.32 -0.57 0.40 0.21 0.04 0.00 0.00 177.00 177.40 1wii s LYS 13 N 2.26 2.47 -0.05 4.56 2.47 -1.26 -5.07 119.74 125.11 1wii s LYS 13 Ca 0.65 -2.47 -0.02 0.00 -1.56 0.00 0.00 55.97 52.57 1wii s LYS 13 Cb -0.33 -3.69 -0.04 0.00 -1.46 0.00 0.00 37.83 32.32 1wii s LYS 13 CO 0.28 -1.16 0.05 0.15 0.16 0.00 0.00 175.35 174.83 1wii s LYS 14 N 0.03 3.05 -0.52 4.03 1.02 -1.26 -5.02 119.74 121.07 1wii s LYS 14 Ca 0.16 -0.42 0.02 0.00 0.02 0.00 0.00 55.97 55.75 1wii s LYS 14 Cb -0.21 -2.85 0.47 0.00 -0.52 0.00 0.00 37.83 34.72 1wii s LYS 14 CO -0.03 0.68 1.74 1.17 -0.92 0.00 0.00 175.35 177.99 1wii n LYS 15 N 1.68 2.90 -4.39 1.68 4.81 -1.26 -4.98 118.16 118.60 1wii n LYS 15 Ca -0.16 -3.54 -0.26 0.00 -0.87 0.00 0.00 58.31 53.47 1wii n LYS 15 Cb 0.53 -2.25 -0.10 0.00 0.02 0.00 0.00 35.03 33.23 1wii n LYS 15 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1wii s MET 16 N -3.70 1.75 -0.23 1.64 -1.94 -1.26 -5.14 119.30 110.42 1wii s MET 16 Ca 0.59 -1.50 -0.27 0.00 -1.71 0.00 0.00 55.69 52.81 1wii s MET 16 Cb 0.47 -1.94 0.12 0.00 2.01 0.00 0.00 34.83 35.49 1wii s MET 16 CO 0.01 0.39 0.98 -0.08 -0.01 0.00 0.00 175.02 176.31 1wii s THR 17 N -1.89 0.00 -0.03 2.05 -1.32 -1.26 -5.10 115.64 108.09 1wii s THR 17 Ca 0.24 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.66 1wii s THR 17 Cb -0.07 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.90 1wii s THR 17 CO 0.13 0.00 -0.11 0.61 -2.21 0.00 0.00 174.62 173.03 1wii n GLY 18 N 1.74 -0.27 3.80 6.08 0.00 -1.26 -5.03 105.19 110.25 1wii n GLY 18 Ca -0.12 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1wii n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wii s THR 19 N -1.91 3.77 -0.91 2.61 2.01 -1.26 -5.00 115.64 114.95 1wii s THR 19 Ca -0.10 1.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.91 1wii s THR 19 Cb 0.01 -3.45 0.24 0.00 0.01 0.00 0.00 72.50 69.31 1wii s THR 19 CO 0.14 -0.24 0.86 -0.22 -0.69 0.00 0.00 174.62 174.47 1wii s LEU 20 N -3.48 6.41 0.18 4.42 2.96 -1.26 -5.05 118.68 122.86 1wii s LEU 20 Ca 0.67 -3.09 -0.22 0.00 -0.22 0.00 0.00 54.13 51.28 1wii s LEU 20 Cb -0.17 -2.16 -0.08 0.00 0.50 0.00 0.00 46.19 44.29 1wii s LEU 20 CO 0.20 -0.43 0.72 -1.83 -1.32 0.00 0.00 176.35 173.69 1wii s GLU 21 N -0.46 4.36 -0.14 1.98 -1.05 -1.26 -4.96 118.70 117.18 1wii s GLU 21 Ca 0.23 0.96 -0.02 0.00 -0.15 0.00 0.00 54.97 55.99 1wii s GLU 21 Cb -0.11 -3.07 0.03 0.00 -0.44 0.00 0.00 34.13 30.54 1wii s GLU 21 CO -0.08 0.49 2.34 0.25 0.95 0.00 0.00 175.26 179.21 1wii n THR 22 N 1.18 2.52 -3.98 1.83 -2.24 -1.26 -4.82 114.28 107.50 1wii n THR 22 Ca -0.05 -1.24 -0.09 0.00 -2.27 0.00 0.00 64.05 60.41 1wii n THR 22 Cb 0.50 -1.54 -0.11 0.00 -2.10 0.00 0.00 70.33 67.08 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 -0.54 0.37 0.22 -0.78 -0.21 -1.26 -4.44 119.66 113.02 1wii s GLN 23 Ca 0.26 -0.68 -0.16 0.00 0.02 0.00 0.00 55.36 54.80 1wii s GLN 23 Cb 0.16 0.13 0.01 0.00 1.00 0.00 0.00 33.01 34.32 1wii s GLN 23 CO -0.02 -0.07 0.52 -0.06 -2.12 0.00 0.00 175.29 173.54 1wii s PHE 24 N -1.80 0.06 0.20 0.91 0.40 -1.26 -4.99 117.98 111.51 1wii s PHE 24 Ca -0.13 -0.43 -0.24 0.00 -0.60 0.00 0.00 56.93 55.53 1wii s PHE 24 Cb -0.07 0.34 -0.08 0.00 0.51 0.00 0.00 43.02 43.71 1wii s PHE 24 CO -0.02 -0.97 0.78 0.99 0.70 0.00 0.00 175.22 176.70 1wii s THR 25 N -3.93 4.40 -0.34 0.64 2.01 -1.26 -3.15 115.64 114.00 1wii s THR 25 Ca 0.14 1.62 -0.16 0.00 0.31 0.00 0.00 61.69 63.60 1wii s THR 25 Cb -0.01 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 1wii s THR 25 CO 0.02 0.41 0.40 0.00 -0.69 0.00 0.00 174.62 174.77 1wii n PRO 27 N 5.48 0.24 -0.08 0.00 -0.04 -1.26 0.20 135.00 139.53 1wii n PRO 27 Ca -0.08 0.13 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 1wii n PRO 27 Cb 0.49 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 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 0.00 0.00 0.54 -1.00 -2.02 -3.41 116.94 111.05 1wii h PHE 28 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1wii h PHE 28 Cb 0.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.69 1wii h PHE 28 CO 0.00 0.72 -1.62 0.00 -1.61 0.00 0.00 178.31 175.81 1wii n ASN 30 N -1.97 -6.92 -3.87 0.00 3.02 0.53 -5.03 115.26 101.01 1wii n ASN 30 Ca -0.02 0.09 -0.28 0.00 -0.03 0.00 0.00 54.58 54.34 1wii n ASN 30 Cb 0.38 -4.65 -0.16 0.00 -0.61 0.00 0.00 39.78 34.74 1wii n ASN 30 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1wii s HIS 31 N -2.81 1.72 -0.03 3.10 3.76 -1.25 -4.94 115.29 114.85 1wii s HIS 31 Ca 0.06 -1.17 -0.36 0.00 -0.15 0.00 0.00 55.06 53.45 1wii s HIS 31 Cb -0.02 -1.31 -0.14 0.00 1.11 0.00 0.00 32.58 32.22 1wii s HIS 31 CO 0.63 -0.64 1.66 -1.91 -0.85 0.00 0.00 174.74 173.64 1wii n GLU 32 N 4.87 1.75 -3.06 1.40 2.13 -1.26 -2.98 120.64 123.48 1wii n GLU 32 Ca -0.11 0.64 -0.05 0.00 0.66 0.00 0.00 57.16 58.29 1wii n GLU 32 Cb 0.47 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.80 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 4.68 -1.69 -2.70 5.31 5.02 -1.26 -4.99 118.16 122.53 1wii n LYS 33 Ca 0.21 1.65 -0.03 0.00 -2.02 0.00 0.00 58.31 58.11 1wii n LYS 33 Cb 0.24 -5.40 0.11 0.00 -0.02 0.00 0.00 35.03 29.96 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 -1.31 -0.95 -3.85 4.39 7.64 -1.16 -4.99 113.62 113.39 1wii n SER 34 Ca 0.01 -2.28 -0.12 0.00 1.01 0.00 0.00 58.87 57.49 1wii n SER 34 Cb 0.51 0.52 -0.11 0.00 -1.01 0.00 0.00 64.21 64.12 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 -0.92 1.59 -0.16 0.00 -1.08 0.17 -3.99 116.67 112.28 1wii s ASP 36 Ca -0.10 -0.22 -0.07 0.00 -0.52 0.00 0.00 52.55 51.64 1wii s ASP 36 Cb -0.05 -0.66 -0.04 0.00 -1.46 0.00 0.00 42.92 40.71 1wii s ASP 36 CO 0.01 -0.07 0.09 -0.69 0.52 0.00 0.00 175.17 175.04 1wii s VAL 37 N 1.19 5.06 -0.45 1.11 1.01 -1.26 -0.70 120.40 126.36 1wii s VAL 37 Ca -0.06 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 1wii s VAL 37 Cb -0.14 -3.26 0.12 0.00 0.00 0.00 0.00 36.38 33.11 1wii s VAL 37 CO -0.02 0.51 0.25 -0.75 0.00 0.00 0.00 175.10 175.09 1wii s LYS 38 N -0.10 2.10 -0.48 2.72 2.20 0.16 -4.96 119.74 121.38 1wii s LYS 38 Ca 0.08 -1.98 -0.29 0.00 -0.36 0.00 0.00 55.97 53.42 1wii s LYS 38 Cb -0.12 -3.60 0.03 0.00 -1.51 0.00 0.00 37.83 32.63 1wii s LYS 38 CO 0.01 -1.09 1.17 -1.64 -0.36 0.00 0.00 175.35 173.43 1wii s MET 39 N 0.86 3.70 -0.36 4.03 -1.94 -1.26 -0.77 119.30 123.57 1wii s MET 39 Ca 0.10 0.59 -0.05 0.00 -1.71 0.00 0.00 55.69 54.62 1wii s MET 39 Cb -0.22 -3.92 0.06 0.00 2.01 0.00 0.00 34.83 32.76 1wii s MET 39 CO -0.04 -1.41 0.13 0.34 -0.01 0.00 0.00 175.02 174.03 1wii s ASP 40 N 2.63 5.28 -0.07 3.03 -1.08 -1.19 -4.98 116.67 120.28 1wii s ASP 40 Ca 0.49 -1.41 -0.12 0.00 -0.52 0.00 0.00 52.55 50.99 1wii s ASP 40 Cb -0.08 -1.85 -0.08 0.00 -1.46 0.00 0.00 42.92 39.45 1wii s ASP 40 CO 0.32 -0.39 0.47 0.03 0.52 0.00 0.00 175.17 176.12 1wii h ARG 41 N 8.18 -0.23 -0.75 4.34 -0.00 -1.93 0.73 114.38 124.72 1wii h ARG 41 Ca -0.21 0.02 0.21 0.00 -0.50 0.00 0.00 59.98 59.50 1wii h ARG 41 Cb 1.07 0.05 -0.14 0.00 0.00 0.00 0.00 29.97 30.95 1wii h ARG 41 CO 0.64 0.01 0.01 0.00 0.00 0.00 0.00 179.97 180.63 1wii n ALA 42 N -2.70 0.38 -0.01 0.04 0.00 -1.26 0.11 120.51 117.07 1wii n ALA 42 Ca -0.05 0.81 0.03 0.00 0.00 0.00 0.00 53.44 54.23 1wii n ALA 42 Cb 0.17 -0.59 -0.13 0.00 0.00 0.00 0.00 19.45 18.90 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 -5.05 0.65 -2.91 0.00 5.12 -1.25 -5.00 116.66 108.22 1wii n ARG 43 Ca 0.18 -0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.99 1wii n ARG 43 Cb 0.58 -1.63 0.04 0.00 -1.16 0.00 0.00 32.46 30.29 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 -2.60 -3.48 -3.66 0.55 4.13 0.30 -4.96 115.26 105.55 1wii n ASN 44 Ca -0.13 -0.26 -0.20 0.00 1.68 0.00 0.00 54.58 55.68 1wii n ASN 44 Cb 0.79 -2.59 -0.17 0.00 -1.54 0.00 0.00 39.78 36.27 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 -3.15 -0.16 -0.30 3.41 2.01 -0.12 -0.65 115.64 116.69 1wii s THR 45 Ca 0.20 0.32 -0.23 0.00 0.31 0.00 0.00 61.69 62.29 1wii s THR 45 Cb -0.09 -0.26 -0.00 0.00 0.01 0.00 0.00 72.50 72.16 1wii s THR 45 CO 0.33 0.11 0.74 -0.83 -0.69 0.00 0.00 174.62 174.28 1wii s GLY 46 N 2.21 1.73 -0.29 4.40 0.00 0.25 -3.20 107.32 112.42 1wii s GLY 46 Ca 0.04 -0.46 -0.10 0.00 0.00 0.00 0.00 44.72 44.21 1wii s GLY 46 CO -0.05 1.67 0.15 0.14 0.00 0.00 0.00 173.10 175.01 1wii s VAL 47 N 2.84 4.72 0.31 1.40 1.01 0.05 -2.01 120.40 128.72 1wii s VAL 47 Ca 0.30 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.13 1wii s VAL 47 Cb -0.14 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 1wii s VAL 47 CO 0.12 0.17 0.31 -0.51 0.00 0.00 0.00 175.10 175.18 1wii s ILE 48 N 1.65 4.03 0.24 2.22 2.07 -0.04 0.38 121.20 131.75 1wii s ILE 48 Ca 0.06 -1.27 -0.17 0.00 -1.41 0.00 0.00 60.65 57.86 1wii s ILE 48 Cb -0.16 -3.35 0.02 0.00 0.13 0.00 0.00 42.46 39.09 1wii s ILE 48 CO 0.07 -0.23 0.58 -0.94 -1.91 0.00 0.00 174.94 172.51 1wii s SER 49 N -3.99 -0.21 0.36 4.50 1.04 0.12 -1.06 113.70 114.46 1wii s SER 49 Ca 0.39 -0.66 0.08 0.00 0.48 0.00 0.00 55.95 56.24 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 0.27 -1.18 0.14 0.00 0.98 0.00 0.00 173.24 173.45 1wii n THR 51 N -1.15 1.46 0.00 0.00 -2.24 -0.71 -4.36 114.28 107.28 1wii n THR 51 Ca -0.03 -2.55 0.00 0.00 -2.27 0.00 0.00 64.05 59.20 1wii n THR 51 Cb 0.62 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 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 -0.53 0.00 0.47 2.28 0.31 -1.26 -4.90 118.33 114.70 1wii n VAL 52 Ca 0.16 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.57 1wii n VAL 52 Cb 0.87 -0.10 -0.11 0.00 -0.91 0.00 0.00 33.84 33.59 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 -1.65 -3.91 -4.58 0.00 4.77 -1.26 -5.07 117.00 105.30 1wii n LEU 54 Ca 0.01 -0.34 -0.25 0.00 -0.03 0.00 0.00 56.01 55.39 1wii n LEU 54 Cb 0.32 -1.91 -0.10 0.00 -2.33 0.00 0.00 43.42 39.41 1wii n LEU 54 CO 0.34 0.01 -0.35 -1.61 -1.33 0.00 0.00 177.39 174.45 1wii s GLU 55 N -3.67 1.94 -0.10 3.23 0.41 -1.26 -4.93 118.70 114.32 1wii s GLU 55 Ca 0.22 -1.85 -0.18 0.00 -0.41 0.00 0.00 54.97 52.75 1wii s GLU 55 Cb -0.03 -1.81 0.04 0.00 -1.78 0.00 0.00 34.13 30.55 1wii s GLU 55 CO 0.38 0.14 0.45 -2.00 -0.49 0.00 0.00 175.26 173.74 1wii s GLU 56 N -3.66 0.67 0.04 1.61 2.12 -1.26 -0.71 118.70 117.51 1wii s GLU 56 Ca 0.33 0.29 -0.00 0.00 0.36 0.00 0.00 54.97 55.96 1wii s GLU 56 Cb 0.01 0.31 -0.03 0.00 0.26 0.00 0.00 34.13 34.69 1wii s GLU 56 CO 0.18 -0.15 -0.03 0.12 -0.54 0.00 0.00 175.26 174.83 1wii s PHE 57 N -0.54 0.42 0.13 5.30 5.36 -0.23 -4.97 117.98 123.46 1wii s PHE 57 Ca -0.07 -0.78 0.10 0.00 -0.96 0.00 0.00 56.93 55.23 1wii s PHE 57 Cb -0.03 -0.30 -0.04 0.00 -0.34 0.00 0.00 43.02 42.30 1wii s PHE 57 CO 0.03 -0.27 -0.25 -0.65 -1.46 0.00 0.00 175.22 172.63 1wii s GLN 58 N -2.64 1.35 -0.24 10.12 -0.21 -1.26 -0.86 119.66 125.91 1wii s GLN 58 Ca -0.04 -1.33 -0.26 0.00 0.02 0.00 0.00 55.36 53.75 1wii s GLN 58 Cb -0.01 -1.77 0.09 0.00 1.00 0.00 0.00 33.01 32.31 1wii s GLN 58 CO -0.05 0.41 0.83 -0.08 -2.12 0.00 0.00 175.29 174.28 1wii s THR 59 N -1.15 0.00 -0.01 -0.19 -1.32 -0.85 -4.98 115.64 107.14 1wii s THR 59 Ca 0.13 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.31 1wii s THR 59 Cb -0.10 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.84 1wii s THR 59 CO 0.06 0.00 1.46 -2.16 -2.21 0.00 0.00 174.62 171.77 1wii s PRO 60 N 0.08 4.25 0.33 7.08 0.04 -1.26 0.86 135.00 146.38 1wii s PRO 60 Ca -0.00 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.12 1wii s PRO 60 Cb -0.04 -3.65 -0.02 0.00 0.04 0.00 0.00 34.50 30.82 1wii s PRO 60 CO -0.00 -0.65 0.23 0.44 0.04 0.00 0.00 177.00 177.06 1wii n ILE 61 N 4.85 0.00 -3.83 0.56 -6.64 0.18 -4.80 119.36 109.68 1wii n ILE 61 Ca 0.14 -2.28 -0.09 0.00 -1.77 0.00 0.00 62.75 58.74 1wii n ILE 61 Cb 0.43 1.05 -0.06 0.00 -1.44 0.00 0.00 39.64 39.62 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 -3.20 0.10 0.34 7.28 -4.23 -1.26 -4.07 115.64 110.59 1wii s THR 62 Ca 0.32 -1.09 0.12 0.00 -1.18 0.00 0.00 61.69 59.86 1wii s THR 62 Cb 0.02 -1.47 0.37 0.00 1.34 0.00 0.00 72.50 72.76 1wii s THR 62 CO 0.23 -0.44 1.53 0.00 -0.54 0.00 0.00 174.62 175.40 1wii n TYR 63 N -0.16 0.91 -0.17 3.99 4.11 -1.26 0.15 117.16 124.74 1wii n TYR 63 Ca -0.13 1.16 -0.10 0.00 -0.00 0.00 0.00 57.90 58.84 1wii n TYR 63 Cb 0.63 -1.41 0.00 0.00 -0.00 0.00 0.00 39.34 38.56 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 0.82 -9.24 -3.48 3.38 -2.03 -3.45 115.31 101.32 1wii h LEU 64 Ca 0.72 -0.30 -0.58 0.00 0.09 0.00 0.00 57.88 57.81 1wii h LEU 64 Cb 1.76 -0.22 0.19 0.00 0.09 0.00 0.00 40.66 42.48 1wii h LEU 64 CO -0.82 0.92 -0.95 -1.20 0.09 0.00 0.00 178.44 176.48 1wii n SER 65 N -4.35 -2.99 -4.62 -0.43 7.64 0.41 -4.99 113.62 104.28 1wii n SER 65 Ca 0.01 0.59 -0.23 0.00 1.01 0.00 0.00 58.87 60.24 1wii n SER 65 Cb 0.31 -0.98 -0.08 0.00 -1.01 0.00 0.00 64.21 62.45 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 -1.73 2.18 0.00 1.43 2.02 -1.26 -4.83 118.70 116.51 1wii s GLU 66 Ca 0.58 -1.51 0.15 0.00 0.02 0.00 0.00 54.97 54.21 1wii s GLU 66 Cb -0.41 -2.08 0.71 0.00 0.10 0.00 0.00 34.13 32.46 1wii s GLU 66 CO 0.65 0.32 1.42 -0.35 0.02 0.00 0.00 175.26 177.31 1wii n PRO 67 N -0.87 0.16 -0.05 0.39 -0.04 -1.26 -2.44 135.00 130.89 1wii n PRO 67 Ca -0.06 0.17 -0.10 0.00 -0.04 0.00 0.00 63.50 63.47 1wii n PRO 67 Cb 0.60 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.33 1.54 -0.09 0.52 3.14 -1.26 -4.30 118.33 116.55 1wii n VAL 68 Ca 0.06 -0.80 -0.12 0.00 -2.96 0.00 0.00 64.34 60.52 1wii n VAL 68 Cb 0.13 -0.90 -0.04 0.00 -1.06 0.00 0.00 33.84 31.97 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 0.52 -0.81 6.55 3.58 -1.89 -3.12 116.42 121.26 1wii h ASP 69 Ca -0.40 -0.37 0.19 0.00 0.42 0.00 0.00 57.03 56.87 1wii h ASP 69 Cb 2.09 -0.14 -0.12 0.00 1.72 0.00 0.00 39.33 42.88 1wii h ASP 69 CO 0.06 0.78 0.23 0.58 -2.88 0.00 0.00 179.24 178.00 1wii h VAL 70 N 0.26 0.45 0.21 2.25 2.07 -1.74 -1.66 116.25 118.09 1wii h VAL 70 Ca 0.06 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1wii h VAL 70 Cb 0.55 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1wii h VAL 70 CO 0.03 0.05 -0.48 0.22 0.02 0.00 0.00 177.57 177.41 1wii h TYR 71 N 0.28 -1.36 -0.63 1.57 3.20 -1.73 -1.48 116.97 116.83 1wii h TYR 71 Ca 0.48 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.49 1wii h TYR 71 Cb 0.88 0.57 -0.12 0.00 1.54 0.00 0.00 36.73 39.60 1wii h TYR 71 CO -0.25 -0.58 -0.36 1.03 -1.64 0.00 0.00 178.16 176.36 1wii h SER 72 N -0.78 -1.24 -0.49 -2.11 0.87 -1.36 0.34 113.55 108.79 1wii h SER 72 Ca -0.01 0.24 0.10 0.00 -1.23 0.00 0.00 61.79 60.88 1wii h SER 72 Cb 0.76 0.61 -0.08 0.00 -0.44 0.00 0.00 62.40 63.24 1wii h SER 72 CO -0.22 -0.31 -0.03 0.44 -0.53 0.00 0.00 176.83 176.19 1wii h ASP 73 N -0.16 -0.26 -0.98 6.23 5.19 -1.13 -0.35 116.42 124.96 1wii h ASP 73 Ca 0.23 0.12 0.23 0.00 -0.62 0.00 0.00 57.03 57.00 1wii h ASP 73 Cb 0.56 0.23 -0.12 0.00 0.18 0.00 0.00 39.33 40.17 1wii h ASP 73 CO -0.71 -0.09 0.57 -0.25 -3.12 0.00 0.00 179.24 175.63 1wii h TRP 74 N 0.09 0.97 0.25 4.55 7.01 0.12 0.44 115.95 129.38 1wii h TRP 74 Ca 0.24 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.27 1wii h TRP 74 Cb 0.37 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 27.15 1wii h TRP 74 CO -0.33 0.07 -0.14 0.82 -2.79 0.00 0.00 178.44 176.08 1wii h ILE 75 N 0.58 0.00 -0.19 2.65 1.08 -0.58 -2.12 117.51 118.94 1wii h ILE 75 Ca 0.62 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 65.14 1wii h ILE 75 Cb 1.14 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 1wii h ILE 75 CO -0.47 0.00 0.15 0.44 -0.69 0.00 0.00 178.15 177.58 1wii h ASP 76 N -0.35 0.00 -0.63 1.72 3.32 -1.31 -0.66 116.42 118.51 1wii h ASP 76 Ca -0.03 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1wii h ASP 76 Cb 0.28 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1wii h ASP 76 CO 0.04 0.00 0.32 0.00 -1.72 0.00 0.00 179.24 177.89 1wii h ALA 77 N 1.87 1.33 0.12 3.45 0.00 0.12 -1.16 119.26 124.98 1wii h ALA 77 Ca 0.09 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 1wii h ALA 77 Cb 0.39 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1wii h ALA 77 CO -0.00 0.53 -1.27 0.00 0.00 0.00 0.00 179.25 178.50 1wii h GLU 79 N -0.35 0.52 -6.20 0.00 5.08 -1.16 -3.42 114.58 109.05 1wii h GLU 79 Ca -0.27 -0.03 -0.49 0.00 -1.00 0.00 0.00 59.36 57.57 1wii h GLU 79 Cb 1.71 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.81 1wii h GLU 79 CO 0.07 0.34 -0.41 -1.12 -1.00 0.00 0.00 179.01 176.89 1wii s SER 80 N -5.46 5.21 0.00 1.42 0.01 -0.45 -5.09 113.70 109.34 1wii s SER 80 Ca -0.13 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1wii s SER 80 Cb 0.18 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.61 1wii s SER 80 CO 0.76 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 174.52 1wii n GLY 81 N -1.46 1.14 3.55 3.44 0.00 -1.26 -4.71 105.19 105.88 1wii n GLY 81 Ca 0.01 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 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 1.94 2.62 0.00 1.61 0.04 -1.26 -4.75 135.00 135.20 1wii s PRO 82 Ca 0.00 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1wii s PRO 82 Cb 0.00 -4.42 0.00 0.00 0.04 0.00 0.00 34.50 30.12 1wii s PRO 82 CO 0.00 -2.76 0.00 0.43 0.04 0.00 0.00 177.00 174.71 1wii n SER 83 N 12.82 0.00 -3.66 6.66 7.64 -1.26 -5.18 113.62 130.64 1wii n SER 83 Ca 0.21 0.00 0.04 0.00 1.01 0.00 0.00 58.87 60.13 1wii n SER 83 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1wii n SER 83 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wii s SER 84 N 0.00 -0.00 0.00 6.43 0.15 -1.26 -5.13 113.70 113.89 1wii s SER 84 Ca 0.00 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1wii s SER 84 Cb 0.00 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1wii s SER 84 CO 0.00 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.03