#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 0.69 0.68 1.61 0.01 -1.26 -5.14 113.70 110.29 1wii s SER 2 Ca 0.00 0.14 -0.17 0.00 1.31 0.00 0.00 55.95 57.23 1wii s SER 2 Cb 0.00 0.77 -0.07 0.00 0.21 0.00 0.00 66.02 66.93 1wii s SER 2 CO 0.00 -0.30 0.33 -1.54 0.41 0.00 0.00 173.24 172.14 1wii n SER 3 N 5.35 -1.91 -4.35 2.44 3.41 -1.26 -4.82 113.62 112.48 1wii n SER 3 Ca -0.05 0.60 -0.39 0.00 -0.26 0.00 0.00 58.87 58.77 1wii n SER 3 Cb 0.50 -1.12 0.02 0.00 -0.26 0.00 0.00 64.21 63.35 1wii n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wii n GLY 4 N 1.94 -2.38 3.01 5.00 0.00 -1.26 -4.99 105.19 106.50 1wii n GLY 4 Ca 0.09 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.07 1.17 -0.97 1.61 0.15 -1.26 -5.09 113.70 108.25 1wii s SER 5 Ca 0.62 -0.18 -0.14 0.00 0.70 0.00 0.00 55.95 56.95 1wii s SER 5 Cb -0.49 -0.27 0.20 0.00 -1.71 0.00 0.00 66.02 63.74 1wii s SER 5 CO 0.61 0.08 1.03 -0.94 1.20 0.00 0.00 173.24 175.22 1wii s SER 6 N 0.09 6.87 0.11 5.45 1.04 -1.26 -5.00 113.70 121.00 1wii s SER 6 Ca -0.01 -2.72 0.00 0.00 0.48 0.00 0.00 55.95 53.70 1wii s SER 6 Cb -0.07 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.75 1wii s SER 6 CO 0.00 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1wii n GLY 7 N 4.20 0.38 3.47 7.32 0.00 -1.26 -4.90 105.19 114.40 1wii n GLY 7 Ca 0.22 -0.68 0.01 0.00 0.00 0.00 0.00 46.02 45.56 1wii n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wii s ARG 8 N 0.00 0.29 0.01 1.61 1.70 -1.26 -5.18 118.95 116.12 1wii s ARG 8 Ca 0.00 0.64 -0.04 0.00 -0.47 0.00 0.00 55.73 55.86 1wii s ARG 8 Cb 0.00 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.66 1wii s ARG 8 CO 0.00 -0.08 0.06 -1.59 -1.08 0.00 0.00 175.30 172.61 1wii s LYS 9 N 2.03 0.39 -0.28 3.89 0.00 -1.26 -5.12 119.74 119.39 1wii s LYS 9 Ca -0.05 -0.47 -0.29 0.00 0.00 0.00 0.00 55.97 55.17 1wii s LYS 9 Cb -0.05 0.15 -0.02 0.00 0.00 0.00 0.00 37.83 37.92 1wii s LYS 9 CO -0.16 -0.08 1.66 -1.25 0.00 0.00 0.00 175.35 175.51 1wii s PRO 10 N -1.35 3.61 0.46 1.78 0.04 -1.26 -4.99 135.00 133.29 1wii s PRO 10 Ca -0.15 1.50 -0.23 0.00 0.04 0.00 0.00 61.00 62.16 1wii s PRO 10 Cb -0.08 -4.09 -0.07 0.00 0.04 0.00 0.00 34.50 30.29 1wii s PRO 10 CO 0.00 -1.52 1.16 -1.25 0.04 0.00 0.00 177.00 175.44 1wii s PRO 11 N 5.04 3.77 0.00 0.56 0.04 -1.26 -4.91 135.00 138.24 1wii s PRO 11 Ca 0.73 1.77 0.15 0.00 0.04 0.00 0.00 61.00 63.69 1wii s PRO 11 Cb -0.23 -2.41 0.89 0.00 0.04 0.00 0.00 34.50 32.79 1wii s PRO 11 CO 0.31 -0.54 1.31 -0.35 0.04 0.00 0.00 177.00 177.77 1wii n PRO 12 N -0.47 0.49 -0.66 0.56 -0.04 -1.26 -4.83 135.00 128.79 1wii n PRO 12 Ca 0.07 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.22 1wii n PRO 12 Cb 0.48 -1.48 0.18 0.00 -0.04 0.00 0.00 33.50 32.64 1wii n PRO 12 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1wii n LYS 13 N -0.98 -0.84 -3.68 0.54 2.85 -1.26 -5.04 118.16 109.75 1wii n LYS 13 Ca 0.11 -0.19 -0.11 0.00 -1.05 0.00 0.00 58.31 57.07 1wii n LYS 13 Cb 0.05 -2.23 -0.12 0.00 -0.65 0.00 0.00 35.03 32.09 1wii n LYS 13 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1wii s LYS 14 N -4.38 0.24 -0.07 -1.58 -2.85 -1.26 -5.14 119.74 104.70 1wii s LYS 14 Ca 0.65 0.81 0.00 0.00 -1.00 0.00 0.00 55.97 56.43 1wii s LYS 14 Cb -0.23 0.06 0.02 0.00 -2.06 0.00 0.00 37.83 35.63 1wii s LYS 14 CO 0.61 -0.24 -0.06 0.21 0.10 0.00 0.00 175.35 175.98 1wii s LYS 15 N 2.15 1.12 0.20 1.78 2.20 -1.26 -5.12 119.74 120.81 1wii s LYS 15 Ca -0.03 -0.15 -0.31 0.00 -0.36 0.00 0.00 55.97 55.12 1wii s LYS 15 Cb -0.11 -1.17 -0.10 0.00 -1.51 0.00 0.00 37.83 34.94 1wii s LYS 15 CO -0.10 -0.16 1.49 0.00 -0.36 0.00 0.00 175.35 176.21 1wii s MET 16 N 1.32 4.25 -0.45 4.03 0.23 -1.26 -4.94 119.30 122.49 1wii s MET 16 Ca -0.04 2.30 -0.29 0.00 -1.03 0.00 0.00 55.69 56.64 1wii s MET 16 Cb -0.14 -3.14 0.02 0.00 -1.53 0.00 0.00 34.83 30.04 1wii s MET 16 CO -0.03 -0.50 1.34 0.99 -2.03 0.00 0.00 175.02 174.80 1wii s THR 17 N 0.56 3.97 0.00 3.16 2.01 -1.26 -4.57 115.64 119.52 1wii s THR 17 Ca 0.64 0.97 0.00 0.00 0.31 0.00 0.00 61.69 63.62 1wii s THR 17 Cb -0.42 -4.34 0.00 0.00 0.01 0.00 0.00 72.50 67.75 1wii s THR 17 CO 0.37 -0.87 0.00 0.61 -0.69 0.00 0.00 174.62 174.04 1wii n GLY 18 N 5.04 0.15 3.02 4.40 0.00 -1.26 -5.17 105.19 111.37 1wii n GLY 18 Ca 0.15 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -0.04 -0.15 2.61 -1.32 -1.26 -5.13 115.64 110.34 1wii s THR 19 Ca 0.00 0.15 -0.03 0.00 -1.21 0.00 0.00 61.69 60.60 1wii s THR 19 Cb 0.00 -0.34 0.05 0.00 -1.51 0.00 0.00 72.50 70.70 1wii s THR 19 CO 0.00 0.06 0.06 -0.76 -2.21 0.00 0.00 174.62 171.77 1wii s LEU 20 N 1.19 0.66 -0.23 9.08 1.43 -1.26 -4.93 118.68 124.62 1wii s LEU 20 Ca -0.09 -0.55 0.10 0.00 -1.03 0.00 0.00 54.13 52.57 1wii s LEU 20 Cb -0.10 -0.38 0.43 0.00 0.03 0.00 0.00 46.19 46.17 1wii s LEU 20 CO -0.08 -0.30 1.21 -1.84 0.23 0.00 0.00 176.35 175.57 1wii n GLU 21 N 5.18 2.21 -1.98 1.70 0.28 -1.26 -4.94 120.64 121.83 1wii n GLU 21 Ca -0.07 -3.55 -0.01 0.00 -0.16 0.00 0.00 57.16 53.36 1wii n GLU 21 Cb 0.49 -1.79 -0.00 0.00 1.43 0.00 0.00 31.44 31.57 1wii n GLU 21 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1wii n THR 22 N -0.93 -0.03 -3.66 3.84 -2.24 -1.26 -4.82 114.28 105.18 1wii n THR 22 Ca 0.27 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.93 1wii n THR 22 Cb 0.80 -0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.83 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 -3.98 0.98 0.19 -0.78 -0.21 -1.26 -3.94 119.66 110.66 1wii s GLN 23 Ca 0.00 -0.52 -0.23 0.00 0.02 0.00 0.00 55.36 54.64 1wii s GLN 23 Cb 0.00 0.43 0.06 0.00 1.00 0.00 0.00 33.01 34.50 1wii s GLN 23 CO 0.00 -0.36 0.65 -0.06 -2.12 0.00 0.00 175.29 173.40 1wii s PHE 24 N -3.05 -0.42 0.53 0.91 0.40 -1.05 -5.01 117.98 110.28 1wii s PHE 24 Ca -0.02 0.14 -0.20 0.00 -0.60 0.00 0.00 56.93 56.26 1wii s PHE 24 Cb 0.00 0.61 -0.07 0.00 0.51 0.00 0.00 43.02 44.08 1wii s PHE 24 CO -0.07 -0.96 1.11 0.99 0.70 0.00 0.00 175.22 176.99 1wii s THR 25 N -3.78 3.32 -0.29 0.64 2.01 -1.26 -3.30 115.64 112.97 1wii s THR 25 Ca 0.04 0.82 -0.12 0.00 0.31 0.00 0.00 61.69 62.75 1wii s THR 25 Cb -0.03 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 1wii s THR 25 CO -0.07 -0.18 0.21 0.00 -0.69 0.00 0.00 174.62 173.90 1wii n PRO 27 N 5.09 0.16 0.01 0.00 -0.04 -1.26 0.23 135.00 139.19 1wii n PRO 27 Ca -0.13 0.39 -0.18 0.00 -0.04 0.00 0.00 63.50 63.54 1wii n PRO 27 Cb 0.51 -1.80 -0.13 0.00 -0.04 0.00 0.00 33.50 32.04 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 0.44 0.00 0.54 -1.00 -2.00 -3.42 116.94 111.50 1wii h PHE 28 Ca 0.00 -0.30 -0.04 0.00 2.81 0.00 0.00 57.97 60.44 1wii h PHE 28 Cb 0.33 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 1wii h PHE 28 CO 0.00 1.19 -1.16 0.00 -1.61 0.00 0.00 178.31 176.73 1wii n ASN 30 N -2.62 -1.89 -3.45 0.00 4.13 0.63 -5.01 115.26 107.05 1wii n ASN 30 Ca -0.05 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 55.98 1wii n ASN 30 Cb 0.55 -0.94 -0.11 0.00 -1.54 0.00 0.00 39.78 37.73 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 -0.68 0.03 0.05 3.10 3.76 -1.26 -4.91 115.29 115.37 1wii s HIS 31 Ca 0.00 -0.78 -0.21 0.00 -0.15 0.00 0.00 55.06 53.92 1wii s HIS 31 Cb 0.00 -0.67 -0.11 0.00 1.11 0.00 0.00 32.58 32.90 1wii s HIS 31 CO 0.00 -0.88 0.52 -1.91 -0.85 0.00 0.00 174.74 171.61 1wii n GLU 32 N 4.87 0.00 -3.08 1.40 2.13 -1.26 -3.03 120.64 121.67 1wii n GLU 32 Ca 0.02 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.68 1wii n GLU 32 Cb 0.43 -0.79 0.02 0.00 0.27 0.00 0.00 31.44 31.37 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 0.79 -2.18 0.00 5.31 5.02 -1.26 -4.95 118.16 120.89 1wii n LYS 33 Ca 0.12 1.86 0.00 0.00 -2.02 0.00 0.00 58.31 58.26 1wii n LYS 33 Cb 0.09 -3.95 0.00 0.00 -0.02 0.00 0.00 35.03 31.15 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 0.08 0.00 -4.74 4.39 7.64 -1.17 -5.05 113.62 114.77 1wii n SER 34 Ca 0.02 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.55 1wii n SER 34 Cb 0.46 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.59 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 -0.01 3.54 -0.18 0.00 2.15 -0.87 -2.54 116.67 118.76 1wii s ASP 36 Ca 0.09 -0.46 -0.08 0.00 0.43 0.00 0.00 52.55 52.52 1wii s ASP 36 Cb -0.12 -0.50 -0.04 0.00 -0.30 0.00 0.00 42.92 41.96 1wii s ASP 36 CO -0.00 0.27 0.10 -0.69 -0.17 0.00 0.00 175.17 174.68 1wii s VAL 37 N -0.83 5.17 -0.44 1.11 1.01 -1.25 -2.72 120.40 122.44 1wii s VAL 37 Ca 0.13 0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 1wii s VAL 37 Cb -0.10 -3.33 0.10 0.00 0.00 0.00 0.00 36.38 33.05 1wii s VAL 37 CO 0.03 0.47 0.29 -0.75 0.00 0.00 0.00 175.10 175.14 1wii s LYS 38 N 0.15 2.43 -0.67 2.72 2.20 0.17 -4.98 119.74 121.76 1wii s LYS 38 Ca 0.07 -1.67 -0.27 0.00 -0.36 0.00 0.00 55.97 53.74 1wii s LYS 38 Cb -0.12 -3.81 0.03 0.00 -1.51 0.00 0.00 37.83 32.43 1wii s LYS 38 CO -0.00 -1.09 1.25 -1.64 -0.36 0.00 0.00 175.35 173.51 1wii s MET 39 N 1.34 3.32 -0.44 4.03 -1.94 -1.26 -1.58 119.30 122.77 1wii s MET 39 Ca 0.05 -0.03 -0.14 0.00 -1.71 0.00 0.00 55.69 53.86 1wii s MET 39 Cb -0.25 -4.11 0.05 0.00 2.01 0.00 0.00 34.83 32.53 1wii s MET 39 CO -0.01 -1.97 0.33 0.34 -0.01 0.00 0.00 175.02 173.71 1wii s ASP 40 N 3.46 6.02 -0.10 3.03 -1.08 -1.23 -4.95 116.67 121.81 1wii s ASP 40 Ca 0.39 -1.20 -0.15 0.00 -0.52 0.00 0.00 52.55 51.06 1wii s ASP 40 Cb -0.08 -2.13 -0.12 0.00 -1.46 0.00 0.00 42.92 39.13 1wii s ASP 40 CO 0.19 -0.55 0.49 0.03 0.52 0.00 0.00 175.17 175.85 1wii h ARG 41 N 8.63 -0.09 -0.70 4.34 2.47 -1.93 0.70 114.38 127.81 1wii h ARG 41 Ca -0.27 0.01 0.28 0.00 -1.26 0.00 0.00 59.98 58.74 1wii h ARG 41 Cb 1.11 0.02 -0.13 0.00 -1.65 0.00 0.00 29.97 29.32 1wii h ARG 41 CO 0.80 0.33 0.33 0.00 0.56 0.00 0.00 179.97 181.98 1wii n ALA 42 N -2.67 0.67 0.21 0.04 0.00 -1.26 0.16 120.51 117.65 1wii n ALA 42 Ca -0.05 0.71 0.06 0.00 0.00 0.00 0.00 53.44 54.16 1wii n ALA 42 Cb 0.22 -0.69 -0.09 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 -4.62 1.35 -3.31 0.00 5.12 -1.25 -5.02 116.66 108.93 1wii n ARG 43 Ca 0.25 -0.07 -0.17 0.00 -1.93 0.00 0.00 57.85 55.93 1wii n ARG 43 Cb 0.85 -1.22 0.07 0.00 -1.16 0.00 0.00 32.46 31.00 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 -1.69 -3.85 -3.67 0.55 4.13 0.41 -4.92 115.26 106.21 1wii n ASN 44 Ca -0.01 -0.49 -0.25 0.00 1.68 0.00 0.00 54.58 55.52 1wii n ASN 44 Cb 0.28 -4.36 -0.17 0.00 -1.54 0.00 0.00 39.78 33.99 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 -3.29 0.09 -0.16 3.41 2.01 -0.04 -0.13 115.64 117.53 1wii s THR 45 Ca 0.25 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.88 1wii s THR 45 Cb -0.11 -0.56 -0.00 0.00 0.01 0.00 0.00 72.50 71.83 1wii s THR 45 CO 0.61 -0.10 1.05 -0.83 -0.69 0.00 0.00 174.62 174.67 1wii s GLY 46 N 2.07 2.02 -0.21 4.40 0.00 0.26 -3.56 107.32 112.31 1wii s GLY 46 Ca 0.02 0.31 -0.03 0.00 0.00 0.00 0.00 44.72 45.02 1wii s GLY 46 CO -0.07 2.08 -0.05 0.14 0.00 0.00 0.00 173.10 175.20 1wii s VAL 47 N 2.61 3.35 0.23 1.40 1.01 -0.61 -1.27 120.40 127.11 1wii s VAL 47 Ca 0.47 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 62.02 1wii s VAL 47 Cb -0.17 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1wii s VAL 47 CO 0.13 0.44 0.07 -0.51 0.00 0.00 0.00 175.10 175.23 1wii s ILE 48 N 1.33 3.93 0.18 2.22 2.07 0.75 -0.66 121.20 131.02 1wii s ILE 48 Ca 0.04 -1.55 -0.19 0.00 -1.41 0.00 0.00 60.65 57.53 1wii s ILE 48 Cb -0.14 -3.07 0.04 0.00 0.13 0.00 0.00 42.46 39.42 1wii s ILE 48 CO -0.02 -0.28 0.54 -0.94 -1.91 0.00 0.00 174.94 172.33 1wii s SER 49 N -3.49 -0.36 0.31 4.50 1.04 -1.10 -0.64 113.70 113.95 1wii s SER 49 Ca 0.31 -0.29 0.09 0.00 0.48 0.00 0.00 55.95 56.53 1wii s SER 49 Cb -0.08 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 1wii s SER 49 CO 0.21 -1.01 0.11 0.00 0.98 0.00 0.00 173.24 173.53 1wii n THR 51 N -1.08 1.46 0.00 0.00 -2.24 -0.87 -4.27 114.28 107.28 1wii n THR 51 Ca -0.04 -2.62 0.00 0.00 -2.27 0.00 0.00 64.05 59.12 1wii n THR 51 Cb 0.60 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.50 0.00 0.29 2.28 0.31 -1.26 -4.89 118.33 114.56 1wii n VAL 52 Ca 0.17 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.53 1wii n VAL 52 Cb 0.88 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.77 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 -1.28 -3.51 -4.54 0.00 4.77 -1.26 -5.07 117.00 106.11 1wii n LEU 54 Ca 0.01 -0.29 -0.24 0.00 -0.03 0.00 0.00 56.01 55.46 1wii n LEU 54 Cb 0.13 -1.63 -0.09 0.00 -2.33 0.00 0.00 43.42 39.50 1wii n LEU 54 CO 0.15 0.04 -0.41 -1.61 -1.33 0.00 0.00 177.39 174.23 1wii s GLU 55 N -3.59 1.91 0.04 3.23 0.41 -1.26 -4.94 118.70 114.50 1wii s GLU 55 Ca 0.19 -1.66 -0.16 0.00 -0.41 0.00 0.00 54.97 52.93 1wii s GLU 55 Cb -0.02 -1.91 0.03 0.00 -1.78 0.00 0.00 34.13 30.45 1wii s GLU 55 CO 0.31 0.32 0.35 -2.00 -0.49 0.00 0.00 175.26 173.75 1wii s GLU 56 N -3.58 0.86 -0.17 1.61 2.12 -1.26 -0.37 118.70 117.90 1wii s GLU 56 Ca 0.31 -0.43 -0.23 0.00 0.36 0.00 0.00 54.97 54.98 1wii s GLU 56 Cb -0.05 0.38 0.06 0.00 0.26 0.00 0.00 34.13 34.78 1wii s GLU 56 CO 0.17 -0.28 0.60 0.12 -0.54 0.00 0.00 175.26 175.33 1wii s PHE 57 N -2.48 -0.63 0.15 5.30 5.36 0.18 -4.96 117.98 120.90 1wii s PHE 57 Ca -0.05 1.41 0.11 0.00 -0.96 0.00 0.00 56.93 57.43 1wii s PHE 57 Cb -0.01 0.26 -0.04 0.00 -0.34 0.00 0.00 43.02 42.89 1wii s PHE 57 CO -0.03 -0.39 -0.24 -0.65 -1.46 0.00 0.00 175.22 172.45 1wii s GLN 58 N -0.15 1.52 -0.24 10.12 -0.21 -1.26 -0.18 119.66 129.26 1wii s GLN 58 Ca -0.04 -1.36 -0.26 0.00 0.02 0.00 0.00 55.36 53.72 1wii s GLN 58 Cb -0.03 -1.93 0.09 0.00 1.00 0.00 0.00 33.01 32.13 1wii s GLN 58 CO 0.03 0.44 0.80 -0.08 -2.12 0.00 0.00 175.29 174.37 1wii s THR 59 N -1.25 0.00 0.13 -0.19 -1.32 -0.40 -5.01 115.64 107.60 1wii s THR 59 Ca 0.17 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.34 1wii s THR 59 Cb -0.10 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.82 1wii s THR 59 CO 0.08 0.00 1.35 -2.16 -2.21 0.00 0.00 174.62 171.68 1wii s PRO 60 N 0.05 4.35 0.39 7.08 0.04 -1.26 0.91 135.00 146.55 1wii s PRO 60 Ca -0.01 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.11 1wii s PRO 60 Cb -0.04 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 1wii s PRO 60 CO 0.01 -0.38 0.16 0.96 0.04 0.00 0.00 177.00 177.78 1wii s ILE 61 N 0.88 0.48 0.05 0.56 -5.25 0.82 -4.76 121.20 113.97 1wii s ILE 61 Ca 0.62 -2.00 -0.02 0.00 -0.99 0.00 0.00 60.65 58.26 1wii s ILE 61 Cb -0.36 -2.39 -0.03 0.00 2.95 0.00 0.00 42.46 42.63 1wii s ILE 61 CO 0.32 0.00 0.01 0.42 -1.79 0.00 0.00 174.94 173.90 1wii s THR 62 N -3.29 0.18 0.46 8.37 -4.23 -1.26 -4.42 115.64 111.45 1wii s THR 62 Ca 0.28 -1.49 0.36 0.00 -1.18 0.00 0.00 61.69 59.65 1wii s THR 62 Cb 0.03 -1.20 0.54 0.00 1.34 0.00 0.00 72.50 73.21 1wii s THR 62 CO 0.17 -0.82 1.52 0.00 -0.54 0.00 0.00 174.62 174.95 1wii n TYR 63 N 0.43 0.53 0.06 3.99 4.11 -1.26 0.24 117.16 125.27 1wii n TYR 63 Ca -0.16 0.54 -0.18 0.00 -0.00 0.00 0.00 57.90 58.09 1wii n TYR 63 Cb 0.60 -0.98 -0.09 0.00 -0.00 0.00 0.00 39.34 38.87 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 0.74 -9.02 -3.48 3.38 -2.05 -3.46 115.31 101.42 1wii h LEU 64 Ca 0.87 -0.62 -0.58 0.00 0.09 0.00 0.00 57.88 57.65 1wii h LEU 64 Cb 2.98 -0.23 0.21 0.00 0.09 0.00 0.00 40.66 43.71 1wii h LEU 64 CO -0.35 1.42 -1.44 -1.20 0.09 0.00 0.00 178.44 176.96 1wii n SER 65 N -3.78 -4.62 -4.43 -0.43 7.64 0.66 -4.99 113.62 103.67 1wii n SER 65 Ca -0.10 0.45 -0.23 0.00 1.01 0.00 0.00 58.87 60.00 1wii n SER 65 Cb 0.89 -0.82 -0.10 0.00 -1.01 0.00 0.00 64.21 63.17 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 -1.48 1.56 0.00 1.43 2.02 -1.26 -4.86 118.70 116.11 1wii s GLU 66 Ca 0.50 -1.67 0.15 0.00 0.02 0.00 0.00 54.97 53.96 1wii s GLU 66 Cb -0.36 -1.63 0.73 0.00 0.10 0.00 0.00 34.13 32.97 1wii s GLU 66 CO 0.73 0.31 1.41 -0.35 0.02 0.00 0.00 175.26 177.38 1wii n PRO 67 N -0.38 0.19 -0.04 0.39 -0.04 -1.26 -2.48 135.00 131.39 1wii n PRO 67 Ca -0.07 0.16 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1wii n PRO 67 Cb 0.59 -1.50 -0.14 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 -1.30 1.59 -0.00 0.52 3.14 -1.26 -4.29 118.33 116.72 1wii n VAL 68 Ca 0.07 -0.77 -0.12 0.00 -2.96 0.00 0.00 64.34 60.56 1wii n VAL 68 Cb 0.12 -1.07 -0.07 0.00 -1.06 0.00 0.00 33.84 31.76 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 0.08 -1.03 6.55 1.82 -1.90 -2.87 116.42 119.08 1wii h ASP 69 Ca -0.39 -0.22 0.30 0.00 -0.39 0.00 0.00 57.03 56.34 1wii h ASP 69 Cb 2.06 -0.02 -0.13 0.00 0.68 0.00 0.00 39.33 41.92 1wii h ASP 69 CO 0.06 0.27 0.61 0.58 -1.61 0.00 0.00 179.24 179.15 1wii h VAL 70 N -0.12 0.39 0.64 2.25 2.07 -1.75 -0.63 116.25 119.09 1wii h VAL 70 Ca 0.02 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1wii h VAL 70 Cb 0.23 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1wii h VAL 70 CO -0.00 0.07 -0.31 0.22 0.02 0.00 0.00 177.57 177.58 1wii h TYR 71 N 0.40 -0.79 -0.71 1.57 3.20 -1.69 -1.80 116.97 117.14 1wii h TYR 71 Ca 0.70 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.70 1wii h TYR 71 Cb 1.57 0.26 -0.10 0.00 1.54 0.00 0.00 36.73 40.00 1wii h TYR 71 CO -0.01 -0.45 0.18 1.03 -1.64 0.00 0.00 178.16 177.28 1wii h SER 72 N -1.07 0.04 -0.49 -2.11 0.87 -1.07 -0.31 113.55 109.41 1wii h SER 72 Ca -0.09 0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1wii h SER 72 Cb 0.70 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.81 1wii h SER 72 CO 0.14 -0.01 0.30 0.44 -0.53 0.00 0.00 176.83 177.17 1wii h ASP 73 N 0.29 0.51 -0.84 6.23 5.19 -1.14 -2.39 116.42 124.26 1wii h ASP 73 Ca 0.40 -0.00 0.11 0.00 -0.62 0.00 0.00 57.03 56.92 1wii h ASP 73 Cb 0.65 -0.11 -0.08 0.00 0.18 0.00 0.00 39.33 39.97 1wii h ASP 73 CO -0.48 0.36 0.47 -0.25 -3.12 0.00 0.00 179.24 176.22 1wii h TRP 74 N 0.61 0.84 0.44 4.55 7.01 -0.16 0.53 115.95 129.77 1wii h TRP 74 Ca 0.19 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 1wii h TRP 74 Cb -0.02 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 26.77 1wii h TRP 74 CO -0.06 0.29 -0.45 0.82 -2.79 0.00 0.00 178.44 176.26 1wii h ILE 75 N 0.74 0.00 0.00 2.65 1.08 -0.88 -1.65 117.51 119.45 1wii h ILE 75 Ca 0.43 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.89 1wii h ILE 75 Cb 0.48 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.23 1wii h ILE 75 CO -0.29 0.00 -0.02 0.44 -0.69 0.00 0.00 178.15 177.59 1wii h ASP 76 N -0.88 0.00 -0.16 1.72 5.19 -1.36 -1.03 116.42 119.91 1wii h ASP 76 Ca -0.06 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.29 1wii h ASP 76 Cb 0.77 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.26 1wii h ASP 76 CO -0.06 0.02 -0.10 0.00 -3.12 0.00 0.00 179.24 175.99 1wii h ALA 77 N 1.98 1.27 0.07 3.45 0.00 0.01 -0.89 119.26 125.15 1wii h ALA 77 Ca -0.00 -0.25 -0.27 0.00 0.00 0.00 0.00 54.91 54.38 1wii h ALA 77 Cb 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1wii h ALA 77 CO 0.00 0.48 -1.47 0.00 0.00 0.00 0.00 179.25 178.27 1wii h GLU 79 N -0.50 0.25 -1.43 0.00 4.39 -1.25 -3.40 114.58 112.65 1wii h GLU 79 Ca -0.35 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.16 1wii h GLU 79 Cb 1.63 -0.06 -0.25 0.00 -0.10 0.00 0.00 28.75 29.98 1wii h GLU 79 CO -0.04 0.17 -0.54 0.45 -1.16 0.00 0.00 179.01 177.88 1wii s SER 80 N -5.35 -0.34 0.10 1.42 0.15 -0.34 -5.09 113.70 104.25 1wii s SER 80 Ca -0.13 -0.96 -0.10 0.00 0.70 0.00 0.00 55.95 55.46 1wii s SER 80 Cb 0.12 1.36 -0.06 0.00 -1.71 0.00 0.00 66.02 65.73 1wii s SER 80 CO 0.71 -0.23 0.43 -0.83 1.20 0.00 0.00 173.24 174.51 1wii s GLY 81 N 1.85 2.36 0.31 9.45 0.00 -1.18 -4.57 107.32 115.54 1wii s GLY 81 Ca 0.15 -0.34 0.10 0.00 0.00 0.00 0.00 44.72 44.63 1wii s GLY 81 CO -0.10 -0.11 1.70 -0.56 0.00 0.00 0.00 173.10 174.03 1wii h PRO 82 N 3.63 0.09 0.00 2.90 0.13 -1.91 -3.46 132.00 133.37 1wii h PRO 82 Ca -0.49 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1wii h PRO 82 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wii h PRO 82 CO 0.67 0.55 0.00 0.45 -0.23 0.00 0.00 178.00 179.44 1wii n SER 83 N -3.97 0.00 -1.33 1.44 2.88 -1.26 -5.16 113.62 106.22 1wii n SER 83 Ca -0.02 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.70 1wii n SER 83 Cb 0.51 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.92 1wii n SER 83 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wii n SER 84 N 0.00 -7.81 -0.60 -3.46 7.64 -1.26 -5.23 113.62 102.90 1wii n SER 84 Ca 0.00 0.70 0.13 0.00 1.01 0.00 0.00 58.87 60.71 1wii n SER 84 Cb 0.00 -4.18 0.41 0.00 -1.01 0.00 0.00 64.21 59.44 1wii n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64