#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 -0.13 -0.30 1.61 0.15 -1.26 -5.14 113.70 108.63 1wii s SER 2 Ca 0.00 0.74 -0.10 0.00 0.70 0.00 0.00 55.95 57.29 1wii s SER 2 Cb 0.00 0.79 0.14 0.00 -1.71 0.00 0.00 66.02 65.24 1wii s SER 2 CO 0.00 -0.21 0.69 -0.55 1.20 0.00 0.00 173.24 174.37 1wii s SER 3 N 1.94 -1.10 -0.47 5.45 0.15 -1.26 -5.10 113.70 113.32 1wii s SER 3 Ca -0.04 1.39 0.03 0.00 0.70 0.00 0.00 55.95 58.03 1wii s SER 3 Cb -0.11 2.20 0.20 0.00 -1.71 0.00 0.00 66.02 66.60 1wii s SER 3 CO -0.10 -0.21 0.84 -0.83 1.20 0.00 0.00 173.24 174.13 1wii s GLY 4 N 2.84 -1.45 0.00 9.45 0.00 -1.26 -5.14 107.32 111.76 1wii s GLY 4 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1wii s GLY 4 CO -0.19 3.85 0.00 -1.26 0.00 0.00 0.00 173.10 175.50 1wii n SER 5 N 2.88 0.00 -3.35 1.64 2.88 -1.26 -5.14 113.62 111.27 1wii n SER 5 Ca 0.16 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.57 1wii n SER 5 Cb 0.59 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.97 1wii n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wii s SER 6 N 0.00 1.03 0.43 -3.46 1.04 -1.26 -5.15 113.70 106.33 1wii s SER 6 Ca 0.00 -0.63 -0.18 0.00 0.48 0.00 0.00 55.95 55.62 1wii s SER 6 Cb 0.00 0.80 -0.09 0.00 0.10 0.00 0.00 66.02 66.83 1wii s SER 6 CO 0.00 -0.37 0.91 -0.83 0.98 0.00 0.00 173.24 173.94 1wii s GLY 7 N 2.40 2.25 -0.58 7.32 0.00 -1.26 -5.02 107.32 112.43 1wii s GLY 7 Ca 0.10 0.23 -0.18 0.00 0.00 0.00 0.00 44.72 44.87 1wii s GLY 7 CO -0.30 0.49 0.65 -1.60 0.00 0.00 0.00 173.10 172.34 1wii s ARG 8 N -3.46 3.03 -0.25 2.90 3.52 -1.26 -4.98 118.95 118.45 1wii s ARG 8 Ca 0.59 -1.44 -0.29 0.00 -0.13 0.00 0.00 55.73 54.46 1wii s ARG 8 Cb -0.10 -4.28 0.17 0.00 -1.56 0.00 0.00 34.95 29.19 1wii s ARG 8 CO 0.20 -1.48 1.25 -1.59 -0.81 0.00 0.00 175.30 172.87 1wii s LYS 9 N 2.36 0.23 0.37 5.12 -2.85 -1.26 -5.16 119.74 118.55 1wii s LYS 9 Ca 0.09 0.07 -0.26 0.00 -1.00 0.00 0.00 55.97 54.87 1wii s LYS 9 Cb -0.26 0.11 -0.09 0.00 -2.06 0.00 0.00 37.83 35.53 1wii s LYS 9 CO 0.05 -0.07 1.20 -1.25 0.10 0.00 0.00 175.35 175.38 1wii s PRO 10 N -0.94 4.17 0.76 1.78 0.04 -1.26 -5.02 135.00 134.53 1wii s PRO 10 Ca 0.05 1.94 -0.11 0.00 0.04 0.00 0.00 61.00 62.92 1wii s PRO 10 Cb -0.01 -2.82 0.05 0.00 0.04 0.00 0.00 34.50 31.76 1wii s PRO 10 CO -0.06 -0.25 1.09 -1.25 0.04 0.00 0.00 177.00 176.58 1wii s PRO 11 N -2.10 2.30 0.98 0.56 0.04 -1.26 -5.04 135.00 130.49 1wii s PRO 11 Ca 0.54 1.20 -0.12 0.00 0.04 0.00 0.00 61.00 62.66 1wii s PRO 11 Cb -0.33 -1.90 0.18 0.00 0.04 0.00 0.00 34.50 32.48 1wii s PRO 11 CO 0.43 -1.61 1.09 -1.25 0.04 0.00 0.00 177.00 175.70 1wii s PRO 12 N -4.80 0.57 0.79 0.56 0.04 -1.26 -5.05 135.00 125.85 1wii s PRO 12 Ca 0.62 0.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.12 1wii s PRO 12 Cb -0.18 -1.75 0.08 0.00 0.04 0.00 0.00 34.50 32.69 1wii s PRO 12 CO 0.54 -2.65 1.15 -1.59 0.04 0.00 0.00 177.00 174.49 1wii s LYS 13 N -4.96 2.00 -0.13 4.56 0.00 -1.26 -5.10 119.74 114.86 1wii s LYS 13 Ca 0.65 0.05 -0.05 0.00 0.00 0.00 0.00 55.97 56.62 1wii s LYS 13 Cb -0.18 -1.99 0.06 0.00 0.00 0.00 0.00 37.83 35.72 1wii s LYS 13 CO 0.57 -1.54 0.27 0.15 0.00 0.00 0.00 175.35 174.81 1wii s LYS 14 N -5.52 0.17 0.31 1.78 3.01 -1.26 -5.16 119.74 113.07 1wii s LYS 14 Ca 0.62 0.72 -0.08 0.00 -1.01 0.00 0.00 55.97 56.22 1wii s LYS 14 Cb -0.11 -0.03 -0.06 0.00 -1.01 0.00 0.00 37.83 36.62 1wii s LYS 14 CO 0.48 -0.26 0.62 0.21 0.51 0.00 0.00 175.35 176.91 1wii s LYS 15 N 2.20 3.71 -0.25 1.68 2.36 -1.26 -5.09 119.74 123.10 1wii s LYS 15 Ca -0.01 0.20 -0.27 0.00 -2.55 0.00 0.00 55.97 53.34 1wii s LYS 15 Cb -0.12 -2.57 0.15 0.00 -1.05 0.00 0.00 37.83 34.24 1wii s LYS 15 CO -0.09 0.16 1.14 0.00 1.55 0.00 0.00 175.35 178.12 1wii s MET 16 N -3.48 0.39 -0.41 4.03 0.23 -1.26 -5.11 119.30 113.70 1wii s MET 16 Ca 0.47 0.28 0.07 0.00 -1.03 0.00 0.00 55.69 55.47 1wii s MET 16 Cb -0.11 0.19 0.22 0.00 -1.53 0.00 0.00 34.83 33.60 1wii s MET 16 CO 0.28 -0.08 0.49 -2.37 -2.03 0.00 0.00 175.02 171.30 1wii n THR 17 N 1.40 -0.82 -2.96 3.16 5.66 -1.26 -5.02 114.28 114.44 1wii n THR 17 Ca -0.10 -3.59 -0.01 0.00 -3.05 0.00 0.00 64.05 57.31 1wii n THR 17 Cb 0.57 -1.58 0.00 0.00 -1.55 0.00 0.00 70.33 67.77 1wii n THR 17 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1wii s GLY 18 N -0.73 -1.37 0.52 1.09 0.00 -1.26 -5.15 107.32 100.43 1wii s GLY 18 Ca 0.34 0.21 -0.18 0.00 0.00 0.00 0.00 44.72 45.08 1wii s GLY 18 CO -0.15 3.82 0.18 2.41 0.00 0.00 0.00 173.10 179.36 1wii n THR 19 N 3.68 1.03 -2.86 0.90 -1.04 -1.26 -3.03 114.28 111.70 1wii n THR 19 Ca 0.12 -0.50 -0.19 0.00 -2.04 0.00 0.00 64.05 61.44 1wii n THR 19 Cb 0.58 -0.30 0.01 0.00 -1.82 0.00 0.00 70.33 68.80 1wii n THR 19 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1wii n LEU 20 N 1.62 -1.24 -4.65 -4.42 -0.00 -1.26 -4.90 117.00 102.16 1wii n LEU 20 Ca 0.10 -0.34 -0.35 0.00 -0.00 0.00 0.00 56.01 55.43 1wii n LEU 20 Cb 0.47 -0.93 -0.10 0.00 -0.00 0.00 0.00 43.42 42.86 1wii n LEU 20 CO 0.53 0.12 -0.27 -1.83 -0.00 0.00 0.00 177.39 175.95 1wii s GLU 21 N -2.57 3.73 -0.36 1.96 -1.05 -1.17 -5.00 118.70 114.24 1wii s GLU 21 Ca 0.11 -0.36 -0.05 0.00 -0.15 0.00 0.00 54.97 54.52 1wii s GLU 21 Cb -0.01 -3.10 -0.10 0.00 -0.44 0.00 0.00 34.13 30.48 1wii s GLU 21 CO 0.52 0.38 3.16 0.25 0.95 0.00 0.00 175.26 180.52 1wii n THR 22 N 3.17 3.33 -3.67 1.83 -2.24 -1.26 -4.82 114.28 110.63 1wii n THR 22 Ca -0.17 -2.35 -0.14 0.00 -2.27 0.00 0.00 64.05 59.11 1wii n THR 22 Cb 0.53 -1.87 -0.08 0.00 -2.10 0.00 0.00 70.33 66.81 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 -0.21 0.71 0.25 -0.78 -0.21 -1.26 -4.41 119.66 113.75 1wii s GLN 23 Ca 0.63 0.58 -0.10 0.00 0.02 0.00 0.00 55.36 56.49 1wii s GLN 23 Cb 0.33 0.34 -0.01 0.00 1.00 0.00 0.00 33.01 34.67 1wii s GLN 23 CO -0.10 -0.13 0.42 -0.06 -2.12 0.00 0.00 175.29 173.29 1wii s PHE 24 N -0.13 0.58 0.30 0.91 0.08 -1.26 -4.94 117.98 113.52 1wii s PHE 24 Ca -0.03 -0.90 -0.26 0.00 0.12 0.00 0.00 56.93 55.85 1wii s PHE 24 Cb -0.03 0.03 -0.10 0.00 -0.57 0.00 0.00 43.02 42.35 1wii s PHE 24 CO 0.03 -0.95 0.92 0.99 -0.10 0.00 0.00 175.22 176.11 1wii s THR 25 N -3.94 4.22 -0.28 0.64 2.01 -1.26 -2.03 115.64 115.00 1wii s THR 25 Ca 0.26 1.82 -0.10 0.00 0.31 0.00 0.00 61.69 63.99 1wii s THR 25 Cb 0.01 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 1wii s THR 25 CO 0.11 0.21 0.16 0.00 -0.69 0.00 0.00 174.62 174.41 1wii h PRO 27 N 8.34 0.00 0.11 0.00 0.13 -1.97 1.96 132.00 140.57 1wii h PRO 27 Ca -0.35 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 1wii h PRO 27 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wii h PRO 27 CO 0.58 0.06 -0.06 0.74 -0.23 0.00 0.00 178.00 179.09 1wii h PHE 28 N 0.00 -0.14 0.00 1.56 -1.00 -2.01 -3.40 116.94 111.94 1wii h PHE 28 Ca -0.00 -0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.65 1wii h PHE 28 Cb 0.54 0.05 -0.02 0.00 3.61 0.00 0.00 35.95 40.12 1wii h PHE 28 CO 0.00 0.29 -1.50 0.00 -1.61 0.00 0.00 178.31 175.49 1wii n ASN 30 N -2.73 -7.13 -1.16 0.00 3.02 0.66 -4.96 115.26 102.96 1wii n ASN 30 Ca -0.15 0.47 -0.04 0.00 -0.03 0.00 0.00 54.58 54.83 1wii n ASN 30 Cb 0.67 -4.79 0.20 0.00 -0.61 0.00 0.00 39.78 35.25 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 -0.32 1.10 -2.79 3.10 -0.00 -1.26 -4.96 115.22 110.09 1wii n HIS 31 Ca 0.10 -1.57 -0.02 0.00 0.46 0.00 0.00 57.72 56.69 1wii n HIS 31 Cb 0.39 -0.49 -0.02 0.00 -0.12 0.00 0.00 29.99 29.76 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 -1.09 -3.18 -2.74 1.57 2.13 -1.26 -4.65 120.64 111.42 1wii n GLU 32 Ca 0.33 2.56 -0.02 0.00 0.66 0.00 0.00 57.16 60.69 1wii n GLU 32 Cb 1.04 -4.07 -0.02 0.00 0.27 0.00 0.00 31.44 28.65 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 1.40 -3.57 -2.50 5.31 5.02 -1.26 -5.01 118.16 117.54 1wii n LYS 33 Ca -0.16 2.82 -0.03 0.00 -2.02 0.00 0.00 58.31 58.93 1wii n LYS 33 Cb 0.31 -4.64 0.10 0.00 -0.02 0.00 0.00 35.03 30.78 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 1.28 -1.32 -4.39 4.39 7.64 -0.86 -4.94 113.62 115.41 1wii n SER 34 Ca -0.17 -2.05 -0.20 0.00 1.01 0.00 0.00 58.87 57.46 1wii n SER 34 Cb 0.31 0.69 -0.10 0.00 -1.01 0.00 0.00 64.21 64.09 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 -3.38 1.22 -0.16 0.00 1.01 0.13 -4.14 116.67 111.35 1wii s ASP 36 Ca 0.28 0.03 -0.07 0.00 0.71 0.00 0.00 52.55 53.50 1wii s ASP 36 Cb 0.03 -0.15 -0.04 0.00 1.01 0.00 0.00 42.92 43.77 1wii s ASP 36 CO 0.10 -0.26 0.09 -0.69 0.21 0.00 0.00 175.17 174.62 1wii s VAL 37 N 2.17 5.04 -0.41 -1.27 1.01 -1.26 -0.59 120.40 125.08 1wii s VAL 37 Ca 0.05 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 1wii s VAL 37 Cb -0.12 -3.24 0.11 0.00 0.00 0.00 0.00 36.38 33.13 1wii s VAL 37 CO -0.03 0.52 0.18 -0.75 0.00 0.00 0.00 175.10 175.01 1wii s LYS 38 N -0.16 1.88 -0.62 2.72 2.47 0.12 -4.97 119.74 121.17 1wii s LYS 38 Ca 0.08 -1.94 -0.28 0.00 -1.56 0.00 0.00 55.97 52.28 1wii s LYS 38 Cb -0.12 -3.46 0.03 0.00 -1.46 0.00 0.00 37.83 32.82 1wii s LYS 38 CO 0.01 -1.04 1.21 -1.64 0.16 0.00 0.00 175.35 174.05 1wii s MET 39 N 0.90 3.42 -0.44 4.03 -1.94 -1.26 -1.75 119.30 122.25 1wii s MET 39 Ca 0.10 0.09 -0.10 0.00 -1.71 0.00 0.00 55.69 54.07 1wii s MET 39 Cb -0.22 -4.06 0.09 0.00 2.01 0.00 0.00 34.83 32.65 1wii s MET 39 CO -0.05 -1.81 0.31 0.34 -0.01 0.00 0.00 175.02 173.79 1wii s ASP 40 N 3.18 5.76 -0.04 3.03 -1.08 -1.22 -4.96 116.67 121.34 1wii s ASP 40 Ca 0.40 -1.55 -0.21 0.00 -0.52 0.00 0.00 52.55 50.67 1wii s ASP 40 Cb -0.08 -2.03 -0.15 0.00 -1.46 0.00 0.00 42.92 39.20 1wii s ASP 40 CO 0.22 -0.59 0.90 0.03 0.52 0.00 0.00 175.17 176.24 1wii h ARG 41 N 8.49 -0.28 -0.91 4.34 -0.00 -1.94 0.74 114.38 124.84 1wii h ARG 41 Ca -0.24 0.02 0.35 0.00 -0.50 0.00 0.00 59.98 59.62 1wii h ARG 41 Cb 1.09 0.06 -0.16 0.00 0.00 0.00 0.00 29.97 30.96 1wii h ARG 41 CO 0.81 0.10 0.39 0.00 0.00 0.00 0.00 179.97 181.27 1wii n ALA 42 N -2.57 0.84 0.83 0.04 0.00 -1.26 0.19 120.51 118.57 1wii n ALA 42 Ca -0.08 0.93 0.08 0.00 0.00 0.00 0.00 53.44 54.38 1wii n ALA 42 Cb 0.26 -0.88 -0.10 0.00 0.00 0.00 0.00 19.45 18.72 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 -5.11 1.11 -3.78 0.00 5.12 -1.22 -5.00 116.66 107.78 1wii n ARG 43 Ca 0.32 -0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.99 1wii n ARG 43 Cb 1.07 -1.34 0.03 0.00 -1.16 0.00 0.00 32.46 31.06 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 -1.43 -2.55 -3.64 0.55 3.02 0.50 -4.93 115.26 106.79 1wii n ASN 44 Ca 0.03 -0.80 -0.22 0.00 -0.03 0.00 0.00 54.58 53.56 1wii n ASN 44 Cb 0.28 -4.00 -0.17 0.00 -0.61 0.00 0.00 39.78 35.27 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 -3.54 -0.12 -0.30 3.41 2.01 -0.27 -1.01 115.64 115.82 1wii s THR 45 Ca 0.25 0.15 -0.25 0.00 0.31 0.00 0.00 61.69 62.15 1wii s THR 45 Cb -0.12 -0.36 0.00 0.00 0.01 0.00 0.00 72.50 72.03 1wii s THR 45 CO 0.82 -0.03 0.86 -0.83 -0.69 0.00 0.00 174.62 174.74 1wii s GLY 46 N 2.17 1.68 -0.24 4.40 0.00 0.39 -3.39 107.32 112.32 1wii s GLY 46 Ca 0.04 -0.32 -0.05 0.00 0.00 0.00 0.00 44.72 44.38 1wii s GLY 46 CO -0.06 1.87 0.01 0.14 0.00 0.00 0.00 173.10 175.06 1wii s VAL 47 N 3.10 3.72 0.36 1.40 1.01 -0.72 -1.12 120.40 128.15 1wii s VAL 47 Ca 0.35 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.98 1wii s VAL 47 Cb -0.14 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 1wii s VAL 47 CO 0.13 0.35 0.34 -0.51 0.00 0.00 0.00 175.10 175.41 1wii s ILE 48 N 1.52 3.37 0.20 2.22 2.07 0.31 0.11 121.20 131.00 1wii s ILE 48 Ca 0.05 -1.32 -0.23 0.00 -1.41 0.00 0.00 60.65 57.75 1wii s ILE 48 Cb -0.15 -3.16 0.05 0.00 0.13 0.00 0.00 42.46 39.33 1wii s ILE 48 CO -0.01 -0.13 0.74 -0.94 -1.91 0.00 0.00 174.94 172.69 1wii s SER 49 N -4.05 -0.35 0.33 4.50 1.04 0.24 -1.14 113.70 114.26 1wii s SER 49 Ca 0.43 -0.35 0.08 0.00 0.48 0.00 0.00 55.95 56.60 1wii s SER 49 Cb -0.06 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 1wii s SER 49 CO 0.27 -1.11 0.16 0.00 0.98 0.00 0.00 173.24 173.54 1wii n THR 51 N -1.16 1.64 0.00 0.00 -2.24 -0.32 -4.22 114.28 107.97 1wii n THR 51 Ca -0.03 -2.09 0.00 0.00 -2.27 0.00 0.00 64.05 59.66 1wii n THR 51 Cb 0.60 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.16 0.00 0.46 2.28 0.31 -1.26 -4.85 118.33 114.11 1wii n VAL 52 Ca 0.14 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.57 1wii n VAL 52 Cb 0.67 -0.72 -0.13 0.00 -0.91 0.00 0.00 33.84 32.75 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 -1.82 -3.22 -4.93 0.00 4.77 -1.26 -5.07 117.00 105.46 1wii n LEU 54 Ca 0.00 -0.26 -0.24 0.00 -0.03 0.00 0.00 56.01 55.48 1wii n LEU 54 Cb 0.41 -1.51 0.01 0.00 -2.33 0.00 0.00 43.42 40.00 1wii n LEU 54 CO 0.41 0.06 0.12 -1.61 -1.33 0.00 0.00 177.39 175.04 1wii s GLU 55 N -3.75 2.29 -0.22 3.23 0.41 -1.26 -4.91 118.70 114.50 1wii s GLU 55 Ca 0.13 -1.89 -0.27 0.00 -0.41 0.00 0.00 54.97 52.53 1wii s GLU 55 Cb -0.02 -2.25 0.11 0.00 -1.78 0.00 0.00 34.13 30.19 1wii s GLU 55 CO 0.27 -0.64 0.94 -2.00 -0.49 0.00 0.00 175.26 173.34 1wii s GLU 56 N -4.36 0.64 -0.13 1.61 2.12 -1.26 -2.21 118.70 115.11 1wii s GLU 56 Ca 0.42 0.48 -0.07 0.00 0.36 0.00 0.00 54.97 56.16 1wii s GLU 56 Cb -0.03 0.31 0.05 0.00 0.26 0.00 0.00 34.13 34.72 1wii s GLU 56 CO 0.26 -0.13 0.30 0.12 -0.54 0.00 0.00 175.26 175.26 1wii s PHE 57 N -0.31 -0.42 0.06 5.30 5.36 -0.30 -4.96 117.98 122.71 1wii s PHE 57 Ca -0.00 0.94 0.01 0.00 -0.96 0.00 0.00 56.93 56.92 1wii s PHE 57 Cb -0.03 0.12 -0.04 0.00 -0.34 0.00 0.00 43.02 42.73 1wii s PHE 57 CO -0.01 -0.26 0.13 -0.65 -1.46 0.00 0.00 175.22 172.97 1wii s GLN 58 N 1.25 3.15 -0.21 10.12 -0.21 -1.26 -0.53 119.66 131.96 1wii s GLN 58 Ca -0.09 -0.55 -0.27 0.00 0.02 0.00 0.00 55.36 54.48 1wii s GLN 58 Cb -0.09 -2.88 0.07 0.00 1.00 0.00 0.00 33.01 31.10 1wii s GLN 58 CO -0.09 0.60 0.72 -0.08 -2.12 0.00 0.00 175.29 174.31 1wii s THR 59 N -1.40 0.00 0.06 -0.19 -1.32 -0.28 -4.99 115.64 107.51 1wii s THR 59 Ca 0.30 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.48 1wii s THR 59 Cb -0.12 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.80 1wii s THR 59 CO 0.23 0.00 1.41 -2.16 -2.21 0.00 0.00 174.62 171.88 1wii s PRO 60 N -0.04 4.30 0.15 7.08 0.04 -1.26 0.15 135.00 145.42 1wii s PRO 60 Ca -0.03 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.07 1wii s PRO 60 Cb -0.04 -3.43 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 1wii s PRO 60 CO 0.03 -0.51 0.09 0.44 0.04 0.00 0.00 177.00 177.08 1wii n ILE 61 N 4.33 0.00 -3.81 0.56 -6.64 -0.18 -4.75 119.36 108.87 1wii n ILE 61 Ca 0.12 -0.98 -0.11 0.00 -1.77 0.00 0.00 62.75 60.01 1wii n ILE 61 Cb 0.43 0.42 -0.08 0.00 -1.44 0.00 0.00 39.64 38.97 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 -2.34 0.10 0.30 7.28 -4.23 -1.26 -4.32 115.64 111.16 1wii s THR 62 Ca 0.12 -0.80 0.13 0.00 -1.18 0.00 0.00 61.69 59.96 1wii s THR 62 Cb 0.01 -0.89 0.32 0.00 1.34 0.00 0.00 72.50 73.27 1wii s THR 62 CO 0.09 -0.44 1.36 0.00 -0.54 0.00 0.00 174.62 175.08 1wii n TYR 63 N 0.70 0.87 -0.12 3.99 4.11 -1.26 0.23 117.16 125.68 1wii n TYR 63 Ca -0.19 1.02 -0.13 0.00 -0.00 0.00 0.00 57.90 58.60 1wii n TYR 63 Cb 0.59 -1.35 -0.02 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 0.96 -9.08 -3.48 3.38 -2.03 -3.45 115.31 101.60 1wii h LEU 64 Ca 0.67 -0.45 -0.57 0.00 0.09 0.00 0.00 57.88 57.62 1wii h LEU 64 Cb 1.69 -0.27 0.21 0.00 0.09 0.00 0.00 40.66 42.38 1wii h LEU 64 CO -0.71 1.21 -1.43 -1.20 0.09 0.00 0.00 178.44 176.41 1wii n SER 65 N -4.11 -4.60 -4.57 -0.43 7.64 0.64 -4.99 113.62 103.21 1wii n SER 65 Ca -0.02 0.40 -0.24 0.00 1.01 0.00 0.00 58.87 60.02 1wii n SER 65 Cb 0.52 -0.85 -0.09 0.00 -1.01 0.00 0.00 64.21 62.78 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 2.04 0.06 1.43 2.02 -1.26 -4.85 118.70 116.40 1wii s GLU 66 Ca 0.49 -1.50 0.16 0.00 0.02 0.00 0.00 54.97 54.15 1wii s GLU 66 Cb -0.32 -2.03 0.70 0.00 0.10 0.00 0.00 34.13 32.58 1wii s GLU 66 CO 0.74 0.37 1.51 -0.35 0.02 0.00 0.00 175.26 177.55 1wii n PRO 67 N -0.60 0.05 -0.00 0.39 -0.04 -1.26 -2.49 135.00 131.05 1wii n PRO 67 Ca -0.07 0.30 -0.09 0.00 -0.04 0.00 0.00 63.50 63.59 1wii n PRO 67 Cb 0.59 -1.59 -0.14 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.99 0.08 0.52 3.04 -1.95 -3.37 116.25 115.56 1wii h VAL 68 Ca 0.00 -2.81 -0.00 0.00 -1.01 0.00 0.00 66.70 62.88 1wii h VAL 68 Cb 0.27 2.51 0.00 0.00 -2.01 0.00 0.00 31.29 32.06 1wii h VAL 68 CO 0.00 0.61 -0.04 -0.78 -1.01 0.00 0.00 177.57 176.35 1wii h ASP 69 N 0.01 -0.09 -0.99 3.17 3.58 -1.90 -2.97 116.42 117.23 1wii h ASP 69 Ca -0.25 -0.22 0.29 0.00 0.42 0.00 0.00 57.03 57.27 1wii h ASP 69 Cb 1.98 0.02 -0.14 0.00 1.72 0.00 0.00 39.33 42.91 1wii h ASP 69 CO 0.09 0.18 0.55 0.58 -2.88 0.00 0.00 179.24 177.76 1wii h VAL 70 N -0.36 0.37 0.92 2.25 2.07 -1.73 -1.16 116.25 118.62 1wii h VAL 70 Ca -0.01 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 1wii h VAL 70 Cb 0.31 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1wii h VAL 70 CO 0.02 0.07 -0.44 0.22 0.02 0.00 0.00 177.57 177.46 1wii h TYR 71 N 0.39 -1.15 -1.04 1.57 3.20 -1.68 -1.74 116.97 116.52 1wii h TYR 71 Ca 0.69 -0.03 0.28 0.00 3.14 0.00 0.00 58.73 62.81 1wii h TYR 71 Cb 1.49 0.38 -0.12 0.00 1.54 0.00 0.00 36.73 40.02 1wii h TYR 71 CO -0.03 -0.71 0.64 1.03 -1.64 0.00 0.00 178.16 177.44 1wii h SER 72 N -1.27 0.54 0.12 -2.11 0.87 -1.16 0.25 113.55 110.78 1wii h SER 72 Ca -0.13 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1wii h SER 72 Cb 0.95 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1wii h SER 72 CO 0.21 0.04 -0.06 0.44 -0.53 0.00 0.00 176.83 176.93 1wii h ASP 73 N 0.44 -0.13 -0.96 6.23 3.32 -1.07 -2.81 116.42 121.43 1wii h ASP 73 Ca 0.66 -0.15 0.20 0.00 0.02 0.00 0.00 57.03 57.76 1wii h ASP 73 Cb 1.50 0.03 -0.09 0.00 0.22 0.00 0.00 39.33 41.00 1wii h ASP 73 CO -0.43 0.07 0.61 -0.25 -1.72 0.00 0.00 179.24 177.53 1wii h TRP 74 N -0.34 0.77 0.94 4.55 7.01 -0.04 0.19 115.95 129.03 1wii h TRP 74 Ca -0.02 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.96 1wii h TRP 74 Cb 0.28 -0.23 0.01 0.00 -2.10 0.00 0.00 29.16 27.11 1wii h TRP 74 CO -0.01 0.18 -0.46 0.82 -2.79 0.00 0.00 178.44 176.18 1wii h ILE 75 N 0.56 0.05 0.00 2.65 1.08 -1.16 -1.56 117.51 119.13 1wii h ILE 75 Ca 0.53 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.97 1wii h ILE 75 Cb 1.08 0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 34.88 1wii h ILE 75 CO -0.27 0.00 -0.12 -0.78 -0.69 0.00 0.00 178.15 176.29 1wii h ASP 76 N -1.28 0.00 0.11 1.72 3.58 -1.23 -0.62 116.42 118.70 1wii h ASP 76 Ca -0.13 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.22 1wii h ASP 76 Cb 0.99 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 1wii h ASP 76 CO 0.20 0.12 -0.34 0.00 -2.88 0.00 0.00 179.24 176.35 1wii h ALA 77 N 1.88 1.12 0.07 -0.78 0.00 -0.29 -2.61 119.26 118.64 1wii h ALA 77 Ca -0.00 -0.38 -0.25 0.00 0.00 0.00 0.00 54.91 54.29 1wii h ALA 77 Cb 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1wii h ALA 77 CO 0.02 0.56 -1.30 0.00 0.00 0.00 0.00 179.25 178.53 1wii h GLU 79 N -0.56 0.65 0.00 0.00 4.39 -1.18 -3.41 114.58 114.48 1wii h GLU 79 Ca -0.31 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1wii h GLU 79 Cb 1.57 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 1wii h GLU 79 CO -0.03 0.43 0.00 0.45 -1.16 0.00 0.00 179.01 178.70 1wii n SER 80 N -4.83 0.00 -4.75 1.42 2.88 -0.99 -5.10 113.62 102.26 1wii n SER 80 Ca 0.22 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.34 1wii n SER 80 Cb 0.55 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 1wii n SER 80 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wii s GLY 81 N 0.00 2.58 0.31 0.46 0.00 -1.12 -4.79 107.32 104.76 1wii s GLY 81 Ca 0.00 1.16 -0.29 0.00 0.00 0.00 0.00 44.72 45.59 1wii s GLY 81 CO 0.00 2.04 1.23 2.56 0.00 0.00 0.00 173.10 178.93 1wii s PRO 82 N -0.58 4.46 -0.74 2.90 0.04 -1.26 -4.95 135.00 134.87 1wii s PRO 82 Ca 0.55 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.63 1wii s PRO 82 Cb -0.38 -3.12 0.39 0.00 0.04 0.00 0.00 34.50 31.44 1wii s PRO 82 CO 0.42 -0.04 2.05 -1.13 0.04 0.00 0.00 177.00 178.33 1wii n SER 83 N 1.02 7.60 -2.00 6.66 3.41 -1.26 -4.97 113.62 124.08 1wii n SER 83 Ca -0.00 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.82 1wii n SER 83 Cb 0.43 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 1wii n SER 83 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wii n SER 84 N -0.70 -8.70 -0.84 4.04 7.64 -1.26 -5.38 113.62 108.43 1wii n SER 84 Ca 0.58 1.32 0.10 0.00 1.01 0.00 0.00 58.87 61.89 1wii n SER 84 Cb 0.46 -4.91 0.09 0.00 -1.01 0.00 0.00 64.21 58.84 1wii n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64