#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 -0.31 -0.22 1.61 0.15 -1.26 -5.15 113.70 108.53 1wii s SER 2 Ca 0.00 -0.43 -0.04 0.00 0.70 0.00 0.00 55.95 56.18 1wii s SER 2 Cb 0.00 0.64 -0.01 0.00 -1.71 0.00 0.00 66.02 64.94 1wii s SER 2 CO 0.00 -1.15 -0.02 -0.94 1.20 0.00 0.00 173.24 172.33 1wii s SER 3 N -2.87 4.52 -0.23 5.45 1.04 -1.26 -4.97 113.70 115.38 1wii s SER 3 Ca 0.09 -0.33 0.06 0.00 0.48 0.00 0.00 55.95 56.25 1wii s SER 3 Cb -0.04 -1.78 -0.18 0.00 0.10 0.00 0.00 66.02 64.12 1wii s SER 3 CO 0.02 -0.00 -0.14 0.61 0.98 0.00 0.00 173.24 174.71 1wii n GLY 4 N 4.67 -0.50 1.40 7.32 0.00 -1.26 -5.11 105.19 111.71 1wii n GLY 4 Ca -0.18 -0.20 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 1.44 0.00 0.00 0.00 173.32 174.76 1wii n SER 5 N -3.07 -7.75 -3.15 1.61 7.64 -1.26 -5.01 113.62 102.63 1wii n SER 5 Ca -0.40 1.16 0.06 0.00 1.01 0.00 0.00 58.87 60.70 1wii n SER 5 Cb 1.00 -4.64 -0.00 0.00 -1.01 0.00 0.00 64.21 59.56 1wii n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wii s SER 6 N -7.03 -0.32 0.00 6.43 0.15 -1.26 -5.06 113.70 106.61 1wii s SER 6 Ca 0.00 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1wii s SER 6 Cb 0.00 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 1wii s SER 6 CO 0.00 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1wii n GLY 7 N 5.08 -0.16 3.54 9.45 0.00 -1.26 -5.04 105.19 116.80 1wii n GLY 7 Ca 0.10 0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1wii n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wii n ARG 8 N -2.36 -5.26 -1.60 1.61 1.74 -1.26 -4.86 116.66 104.67 1wii n ARG 8 Ca 0.00 0.68 -0.47 0.00 -0.77 0.00 0.00 57.85 57.29 1wii n ARG 8 Cb 0.00 -5.55 -0.03 0.00 -1.02 0.00 0.00 32.46 25.86 1wii n ARG 8 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1wii n LYS 9 N -4.37 1.39 -1.55 5.56 4.76 -1.26 -4.93 118.16 117.76 1wii n LYS 9 Ca -0.01 0.49 -0.32 0.00 -2.87 0.00 0.00 58.31 55.60 1wii n LYS 9 Cb 0.56 -2.00 0.07 0.00 -1.84 0.00 0.00 35.03 31.82 1wii n LYS 9 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1wii s PRO 10 N -0.65 2.57 1.01 1.97 0.04 -1.26 -5.04 135.00 133.64 1wii s PRO 10 Ca 0.69 1.30 -0.13 0.00 0.04 0.00 0.00 61.00 62.90 1wii s PRO 10 Cb -0.78 -1.93 0.20 0.00 0.04 0.00 0.00 34.50 32.03 1wii s PRO 10 CO 0.53 -1.42 1.09 -1.25 0.04 0.00 0.00 177.00 176.00 1wii s PRO 11 N -4.43 0.32 0.96 0.56 0.04 -1.26 -5.04 135.00 126.16 1wii s PRO 11 Ca 0.65 0.48 -0.12 0.00 0.04 0.00 0.00 61.00 62.04 1wii s PRO 11 Cb -0.19 -1.73 0.17 0.00 0.04 0.00 0.00 34.50 32.79 1wii s PRO 11 CO 0.48 -2.80 1.09 -1.25 0.04 0.00 0.00 177.00 174.56 1wii s PRO 12 N -4.97 0.71 -0.28 0.56 0.04 -1.26 -5.06 135.00 124.74 1wii s PRO 12 Ca 0.66 0.62 -0.04 0.00 0.04 0.00 0.00 61.00 62.28 1wii s PRO 12 Cb -0.19 -1.76 0.10 0.00 0.04 0.00 0.00 34.50 32.69 1wii s PRO 12 CO 0.58 -2.57 0.13 0.21 0.04 0.00 0.00 177.00 175.39 1wii s LYS 13 N -4.96 0.18 -0.30 4.56 2.20 -1.26 -5.10 119.74 115.07 1wii s LYS 13 Ca 0.65 -0.47 -0.18 0.00 -0.36 0.00 0.00 55.97 55.61 1wii s LYS 13 Cb -0.18 -1.20 0.20 0.00 -1.51 0.00 0.00 37.83 35.14 1wii s LYS 13 CO 0.57 -0.99 1.27 0.15 -0.36 0.00 0.00 175.35 176.00 1wii s LYS 14 N 2.12 0.08 0.11 4.03 1.02 -1.26 -5.19 119.74 120.65 1wii s LYS 14 Ca 0.08 0.12 -0.08 0.00 0.02 0.00 0.00 55.97 56.12 1wii s LYS 14 Cb -0.16 0.02 -0.01 0.00 -0.52 0.00 0.00 37.83 37.16 1wii s LYS 14 CO -0.34 -0.01 0.19 0.15 -0.92 0.00 0.00 175.35 174.42 1wii s LYS 15 N 0.86 0.93 0.02 1.68 3.01 -1.26 -5.08 119.74 119.89 1wii s LYS 15 Ca -0.05 -1.07 0.00 0.00 -1.01 0.00 0.00 55.97 53.84 1wii s LYS 15 Cb -0.03 0.34 0.00 0.00 -1.01 0.00 0.00 37.83 37.13 1wii s LYS 15 CO -0.11 -0.30 0.00 -0.12 0.51 0.00 0.00 175.35 175.33 1wii n MET 16 N -0.10 0.00 -2.92 1.68 1.56 -1.26 -5.00 117.12 111.08 1wii n MET 16 Ca -0.12 0.00 -0.11 0.00 -0.27 0.00 0.00 57.70 57.20 1wii n MET 16 Cb 0.63 -0.32 -0.03 0.00 2.15 0.00 0.00 33.22 35.64 1wii n MET 16 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1wii n THR 17 N -2.91 -0.23 0.00 1.12 5.66 -1.26 -4.63 114.28 112.03 1wii n THR 17 Ca 0.00 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1wii n THR 17 Cb 0.28 -0.28 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1wii n THR 17 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wii n GLY 18 N -1.28 0.03 3.83 1.09 0.00 -1.26 -5.10 105.19 102.49 1wii n GLY 18 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.80 3.81 -0.90 2.61 -1.32 -1.26 -4.87 115.64 112.91 1wii s THR 19 Ca 0.00 0.59 -0.26 0.00 -1.21 0.00 0.00 61.69 60.81 1wii s THR 19 Cb 0.00 -3.39 -0.18 0.00 -1.51 0.00 0.00 72.50 67.42 1wii s THR 19 CO 0.00 -0.77 2.27 -0.11 -2.21 0.00 0.00 174.62 173.80 1wii n LEU 20 N -3.15 1.49 -4.71 9.08 7.94 -1.26 -4.89 117.00 121.50 1wii n LEU 20 Ca 0.07 -1.88 -0.41 0.00 -1.11 0.00 0.00 56.01 52.68 1wii n LEU 20 Cb 0.55 -1.66 -0.04 0.00 0.53 0.00 0.00 43.42 42.80 1wii n LEU 20 CO 0.56 -3.04 0.54 -1.83 -1.11 0.00 0.00 177.39 172.51 1wii s GLU 21 N 8.70 4.48 -0.55 1.96 -1.05 -1.26 -4.96 118.70 126.02 1wii s GLU 21 Ca 0.88 1.13 0.01 0.00 -0.15 0.00 0.00 54.97 56.84 1wii s GLU 21 Cb -0.11 -3.46 0.45 0.00 -0.44 0.00 0.00 34.13 30.56 1wii s GLU 21 CO 0.13 -0.02 1.74 -2.37 0.95 0.00 0.00 175.26 175.69 1wii n THR 22 N 3.92 3.25 -5.05 1.83 5.66 -1.26 -4.71 114.28 117.92 1wii n THR 22 Ca 0.02 -3.44 -0.28 0.00 -3.05 0.00 0.00 64.05 57.30 1wii n THR 22 Cb 0.51 -1.16 -0.16 0.00 -1.55 0.00 0.00 70.33 67.97 1wii n THR 22 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1wii s GLN 23 N -3.76 1.85 0.09 1.09 -0.21 -1.26 -3.98 119.66 113.48 1wii s GLN 23 Ca 0.60 -0.76 -0.15 0.00 0.02 0.00 0.00 55.36 55.07 1wii s GLN 23 Cb 0.47 -1.72 0.03 0.00 1.00 0.00 0.00 33.01 32.79 1wii s GLN 23 CO -0.01 0.41 0.35 -0.06 -2.12 0.00 0.00 175.29 173.87 1wii s PHE 24 N -0.37 -0.15 0.48 0.91 0.40 -1.25 -5.03 117.98 112.98 1wii s PHE 24 Ca 0.05 -0.09 -0.20 0.00 -0.60 0.00 0.00 56.93 56.08 1wii s PHE 24 Cb -0.10 0.17 -0.09 0.00 0.51 0.00 0.00 43.02 43.52 1wii s PHE 24 CO 0.00 -0.61 1.03 0.99 0.70 0.00 0.00 175.22 177.33 1wii s THR 25 N -3.29 3.82 -0.20 0.64 2.01 -1.26 -2.40 115.64 114.96 1wii s THR 25 Ca -0.00 1.14 -0.22 0.00 0.31 0.00 0.00 61.69 62.92 1wii s THR 25 Cb 0.01 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 1wii s THR 25 CO -0.08 -0.24 0.68 0.00 -0.69 0.00 0.00 174.62 174.28 1wii h PRO 27 N 7.53 0.00 0.00 0.00 0.13 -1.98 0.81 132.00 138.50 1wii h PRO 27 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1wii h PRO 27 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1wii h PRO 27 CO 0.79 0.00 -0.01 0.74 -0.23 0.00 0.00 178.00 179.29 1wii h PHE 28 N 0.00 0.00 0.05 1.56 -1.00 -2.02 -3.42 116.94 112.10 1wii h PHE 28 Ca 0.00 0.00 -0.36 0.00 2.81 0.00 0.00 57.97 60.42 1wii h PHE 28 Cb 0.39 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.90 1wii h PHE 28 CO 0.00 0.00 -2.18 0.00 -1.61 0.00 0.00 178.31 174.52 1wii n ASN 30 N -3.25 -6.47 -2.36 0.00 4.13 0.28 -4.98 115.26 102.61 1wii n ASN 30 Ca -0.35 0.61 -0.26 0.00 1.68 0.00 0.00 54.58 56.26 1wii n ASN 30 Cb 1.04 -4.28 0.01 0.00 -1.54 0.00 0.00 39.78 35.01 1wii n ASN 30 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1wii n HIS 31 N -0.08 3.24 -2.24 3.10 8.25 -1.26 -4.93 115.22 121.29 1wii n HIS 31 Ca 0.06 -2.88 0.00 0.00 -0.26 0.00 0.00 57.72 54.64 1wii n HIS 31 Cb 0.24 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.18 1wii n HIS 31 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1wii n GLU 32 N -0.54 -0.23 -2.16 -0.41 0.28 -1.26 -4.33 120.64 111.99 1wii n GLU 32 Ca 0.41 0.53 -0.01 0.00 -0.16 0.00 0.00 57.16 57.92 1wii n GLU 32 Cb 0.74 -0.63 -0.01 0.00 1.43 0.00 0.00 31.44 32.97 1wii n GLU 32 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wii n LYS 33 N 1.11 -2.28 -2.54 3.44 5.02 -1.26 -4.97 118.16 116.68 1wii n LYS 33 Ca 0.00 1.98 -0.04 0.00 -2.02 0.00 0.00 58.31 58.23 1wii n LYS 33 Cb 0.30 -3.42 0.09 0.00 -0.02 0.00 0.00 35.03 31.98 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 0.65 -1.40 -3.80 4.39 7.64 -1.05 -4.95 113.62 115.11 1wii n SER 34 Ca -0.11 -2.09 -0.13 0.00 1.01 0.00 0.00 58.87 57.56 1wii n SER 34 Cb 0.16 0.75 -0.14 0.00 -1.01 0.00 0.00 64.21 63.97 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 0.60 3.79 -0.26 0.00 2.15 0.00 -3.81 116.67 119.13 1wii s ASP 36 Ca -0.05 -0.42 -0.10 0.00 0.43 0.00 0.00 52.55 52.41 1wii s ASP 36 Cb -0.06 -1.58 -0.04 0.00 -0.30 0.00 0.00 42.92 40.93 1wii s ASP 36 CO -0.02 0.11 0.15 -0.69 -0.17 0.00 0.00 175.17 174.54 1wii s VAL 37 N 0.69 5.01 -0.44 1.11 1.01 -1.26 -1.54 120.40 124.98 1wii s VAL 37 Ca -0.07 0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.83 1wii s VAL 37 Cb -0.16 -3.37 0.05 0.00 0.00 0.00 0.00 36.38 32.91 1wii s VAL 37 CO 0.02 0.29 0.33 -0.54 0.00 0.00 0.00 175.10 175.20 1wii s LYS 38 N 1.60 2.91 -0.62 2.72 3.01 0.10 -4.97 119.74 124.50 1wii s LYS 38 Ca 0.07 -1.25 -0.23 0.00 -1.01 0.00 0.00 55.97 53.55 1wii s LYS 38 Cb -0.15 -4.00 0.06 0.00 -1.01 0.00 0.00 37.83 32.72 1wii s LYS 38 CO 0.08 -0.91 0.96 -1.64 0.51 0.00 0.00 175.35 174.36 1wii s MET 39 N 1.62 3.20 -0.44 1.68 -1.94 -1.26 -1.06 119.30 121.10 1wii s MET 39 Ca 0.04 -0.57 -0.14 0.00 -1.71 0.00 0.00 55.69 53.31 1wii s MET 39 Cb -0.22 -4.15 0.06 0.00 2.01 0.00 0.00 34.83 32.53 1wii s MET 39 CO 0.07 -1.69 0.34 0.34 -0.01 0.00 0.00 175.02 174.07 1wii s ASP 40 N 3.32 6.04 -0.09 3.03 2.15 -1.19 -4.95 116.67 124.97 1wii s ASP 40 Ca 0.26 -1.23 -0.21 0.00 0.43 0.00 0.00 52.55 51.80 1wii s ASP 40 Cb -0.15 -2.14 -0.17 0.00 -0.30 0.00 0.00 42.92 40.16 1wii s ASP 40 CO 0.14 -0.57 0.75 0.03 -0.17 0.00 0.00 175.17 175.35 1wii h ARG 41 N 8.65 -0.08 -0.89 4.34 -0.00 -1.94 0.57 114.38 125.03 1wii h ARG 41 Ca -0.27 0.01 0.31 0.00 -0.50 0.00 0.00 59.98 59.52 1wii h ARG 41 Cb 1.11 0.02 -0.16 0.00 0.00 0.00 0.00 29.97 30.93 1wii h ARG 41 CO 0.81 0.48 0.25 0.00 0.00 0.00 0.00 179.97 181.52 1wii n ALA 42 N -2.59 0.69 0.25 0.04 0.00 -1.26 0.10 120.51 117.74 1wii n ALA 42 Ca -0.07 0.93 0.10 0.00 0.00 0.00 0.00 53.44 54.39 1wii n ALA 42 Cb 0.30 -0.80 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 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 -5.15 0.60 -3.23 0.00 5.12 -1.24 -5.01 116.66 107.75 1wii n ARG 43 Ca 0.27 -0.13 -0.16 0.00 -1.93 0.00 0.00 57.85 55.91 1wii n ARG 43 Cb 0.92 -1.46 0.07 0.00 -1.16 0.00 0.00 32.46 30.83 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 -1.99 -3.43 -3.65 0.55 3.02 0.28 -4.94 115.26 105.11 1wii n ASN 44 Ca -0.02 -0.47 -0.18 0.00 -0.03 0.00 0.00 54.58 53.88 1wii n ASN 44 Cb 0.46 -4.16 -0.16 0.00 -0.61 0.00 0.00 39.78 35.31 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 -3.27 -0.21 -0.28 3.41 2.01 -0.08 -0.83 115.64 116.38 1wii s THR 45 Ca 0.19 0.29 -0.23 0.00 0.31 0.00 0.00 61.69 62.25 1wii s THR 45 Cb -0.08 -0.31 -0.00 0.00 0.01 0.00 0.00 72.50 72.11 1wii s THR 45 CO 0.58 0.09 0.76 -0.83 -0.69 0.00 0.00 174.62 174.53 1wii s GLY 46 N 2.25 1.74 -0.22 4.40 0.00 0.38 -3.20 107.32 112.68 1wii s GLY 46 Ca 0.04 -0.38 -0.06 0.00 0.00 0.00 0.00 44.72 44.31 1wii s GLY 46 CO -0.06 1.69 0.03 0.14 0.00 0.00 0.00 173.10 174.90 1wii s VAL 47 N 2.83 4.08 0.29 1.40 1.01 -0.22 -1.68 120.40 128.10 1wii s VAL 47 Ca 0.31 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.10 1wii s VAL 47 Cb -0.15 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1wii s VAL 47 CO 0.11 0.39 0.23 -0.51 0.00 0.00 0.00 175.10 175.32 1wii s ILE 48 N 1.27 4.01 0.25 2.22 2.07 -0.57 0.00 121.20 130.45 1wii s ILE 48 Ca 0.04 -1.42 -0.20 0.00 -1.41 0.00 0.00 60.65 57.67 1wii s ILE 48 Cb -0.15 -3.29 0.02 0.00 0.13 0.00 0.00 42.46 39.18 1wii s ILE 48 CO 0.02 -0.28 0.65 -0.94 -1.91 0.00 0.00 174.94 172.48 1wii s SER 49 N -3.90 -0.27 0.36 4.50 1.04 -0.59 -0.48 113.70 114.37 1wii s SER 49 Ca 0.36 -0.57 0.08 0.00 0.48 0.00 0.00 55.95 56.30 1wii s SER 49 Cb -0.07 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 1wii s SER 49 CO 0.25 -1.24 0.16 0.00 0.98 0.00 0.00 173.24 173.40 1wii n THR 51 N -1.19 1.52 0.00 0.00 -2.24 -0.85 -4.29 114.28 107.24 1wii n THR 51 Ca -0.02 -2.51 0.00 0.00 -2.27 0.00 0.00 64.05 59.24 1wii n THR 51 Cb 0.62 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 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 -0.63 0.00 0.52 2.28 0.31 -1.26 -4.89 118.33 114.66 1wii n VAL 52 Ca 0.15 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.54 1wii n VAL 52 Cb 0.83 -0.01 -0.07 0.00 -0.91 0.00 0.00 33.84 33.67 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 -1.34 -3.90 -4.87 0.00 4.77 -1.26 -5.06 117.00 105.34 1wii n LEU 54 Ca 0.02 -0.37 -0.21 0.00 -0.03 0.00 0.00 56.01 55.42 1wii n LEU 54 Cb 0.20 -1.92 -0.03 0.00 -2.33 0.00 0.00 43.42 39.34 1wii n LEU 54 CO 0.25 0.05 -0.03 -1.61 -1.33 0.00 0.00 177.39 174.72 1wii s GLU 55 N -3.74 2.65 -0.19 3.23 0.41 -1.26 -4.90 118.70 114.90 1wii s GLU 55 Ca 0.24 -1.40 -0.27 0.00 -0.41 0.00 0.00 54.97 53.13 1wii s GLU 55 Cb -0.03 -2.45 0.08 0.00 -1.78 0.00 0.00 34.13 29.94 1wii s GLU 55 CO 0.39 -0.05 0.74 -2.00 -0.49 0.00 0.00 175.26 173.84 1wii s GLU 56 N -4.08 0.88 0.11 1.61 2.12 -1.26 -1.68 118.70 116.40 1wii s GLU 56 Ca 0.45 0.69 -0.06 0.00 0.36 0.00 0.00 54.97 56.40 1wii s GLU 56 Cb -0.05 0.42 -0.01 0.00 0.26 0.00 0.00 34.13 34.75 1wii s GLU 56 CO 0.28 -0.18 0.16 0.12 -0.54 0.00 0.00 175.26 175.10 1wii s PHE 57 N -0.22 0.37 0.05 5.30 5.36 0.37 -4.96 117.98 124.26 1wii s PHE 57 Ca -0.04 -0.80 0.05 0.00 -0.96 0.00 0.00 56.93 55.19 1wii s PHE 57 Cb -0.03 -0.17 -0.03 0.00 -0.34 0.00 0.00 43.02 42.46 1wii s PHE 57 CO 0.04 -0.56 -0.14 -0.65 -1.46 0.00 0.00 175.22 172.45 1wii s GLN 58 N -3.92 0.86 -0.23 10.12 -0.21 -1.26 -1.52 119.66 123.49 1wii s GLN 58 Ca 0.11 -0.84 -0.26 0.00 0.02 0.00 0.00 55.36 54.38 1wii s GLN 58 Cb 0.05 -0.86 0.09 0.00 1.00 0.00 0.00 33.01 33.30 1wii s GLN 58 CO -0.06 0.20 0.82 -0.08 -2.12 0.00 0.00 175.29 174.05 1wii s THR 59 N -1.06 0.00 0.08 -0.19 -1.32 -0.68 -5.00 115.64 107.47 1wii s THR 59 Ca -0.01 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.17 1wii s THR 59 Cb -0.09 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.83 1wii s THR 59 CO 0.02 0.00 1.39 -2.16 -2.21 0.00 0.00 174.62 171.65 1wii s PRO 60 N -0.02 4.32 0.29 7.08 0.04 -1.26 0.14 135.00 145.59 1wii s PRO 60 Ca -0.01 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.10 1wii s PRO 60 Cb -0.04 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 1wii s PRO 60 CO 0.00 -0.47 0.27 0.96 0.04 0.00 0.00 177.00 177.81 1wii s ILE 61 N 1.47 0.00 0.05 0.56 -5.25 -0.01 -4.75 121.20 113.28 1wii s ILE 61 Ca 0.64 -1.94 -0.03 0.00 -0.99 0.00 0.00 60.65 58.33 1wii s ILE 61 Cb -0.35 -2.51 -0.02 0.00 2.95 0.00 0.00 42.46 42.53 1wii s ILE 61 CO 0.29 0.00 0.04 0.42 -1.79 0.00 0.00 174.94 173.91 1wii s THR 62 N -3.60 0.17 0.30 8.37 -4.23 -1.26 -4.07 115.64 111.32 1wii s THR 62 Ca 0.39 -1.44 0.16 0.00 -1.18 0.00 0.00 61.69 59.62 1wii s THR 62 Cb 0.03 -1.22 0.29 0.00 1.34 0.00 0.00 72.50 72.95 1wii s THR 62 CO 0.22 -0.79 1.31 0.00 -0.54 0.00 0.00 174.62 174.82 1wii n TYR 63 N 0.37 0.94 -0.12 3.99 4.11 -1.26 0.25 117.16 125.44 1wii n TYR 63 Ca -0.16 0.98 -0.12 0.00 -0.00 0.00 0.00 57.90 58.60 1wii n TYR 63 Cb 0.60 -1.38 -0.03 0.00 -0.00 0.00 0.00 39.34 38.54 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 0.83 -8.72 -3.48 3.38 -2.04 -3.45 115.31 101.83 1wii h LEU 64 Ca 0.69 -0.42 -0.58 0.00 0.09 0.00 0.00 57.88 57.66 1wii h LEU 64 Cb 1.81 -0.23 0.18 0.00 0.09 0.00 0.00 40.66 42.51 1wii h LEU 64 CO -0.65 1.07 -1.17 -1.20 0.09 0.00 0.00 178.44 176.58 1wii n SER 65 N -4.24 -3.73 -4.62 -0.43 7.64 0.69 -4.98 113.62 103.95 1wii n SER 65 Ca -0.02 0.60 -0.23 0.00 1.01 0.00 0.00 58.87 60.23 1wii n SER 65 Cb 0.44 -0.82 -0.08 0.00 -1.01 0.00 0.00 64.21 62.75 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 -1.05 2.21 0.00 1.43 2.02 -1.26 -4.86 118.70 117.19 1wii s GLU 66 Ca 0.54 -1.46 0.15 0.00 0.02 0.00 0.00 54.97 54.22 1wii s GLU 66 Cb -0.46 -2.11 0.83 0.00 0.10 0.00 0.00 34.13 32.49 1wii s GLU 66 CO 0.65 0.36 1.39 -0.35 0.02 0.00 0.00 175.26 177.33 1wii n PRO 67 N -0.82 0.33 -0.06 0.39 -0.04 -1.26 -2.57 135.00 130.96 1wii n PRO 67 Ca -0.06 0.08 -0.16 0.00 -0.04 0.00 0.00 63.50 63.32 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 -1.16 1.59 -0.12 0.52 3.14 -1.26 -4.23 118.33 116.80 1wii n VAL 68 Ca 0.09 -0.70 -0.09 0.00 -2.96 0.00 0.00 64.34 60.69 1wii n VAL 68 Cb 0.09 -1.26 -0.01 0.00 -1.06 0.00 0.00 33.84 31.60 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 0.02 0.47 -0.84 6.55 1.82 -1.91 -2.71 116.42 119.83 1wii h ASP 69 Ca -0.47 -0.09 0.15 0.00 -0.39 0.00 0.00 57.03 56.23 1wii h ASP 69 Cb 2.03 -0.12 -0.10 0.00 0.68 0.00 0.00 39.33 41.83 1wii h ASP 69 CO 0.02 0.42 0.42 0.58 -1.61 0.00 0.00 179.24 179.07 1wii h VAL 70 N 0.48 0.70 0.65 2.25 2.07 -1.76 -1.85 116.25 118.80 1wii h VAL 70 Ca 0.13 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1wii h VAL 70 Cb 0.06 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1wii h VAL 70 CO -0.02 0.11 -0.43 0.22 0.02 0.00 0.00 177.57 177.46 1wii h TYR 71 N 0.58 -1.17 -0.61 1.57 3.20 -1.66 -1.57 116.97 117.32 1wii h TYR 71 Ca 0.46 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.44 1wii h TYR 71 Cb 0.68 0.42 -0.12 0.00 1.54 0.00 0.00 36.73 39.25 1wii h TYR 71 CO -0.10 -0.64 -0.22 1.03 -1.64 0.00 0.00 178.16 176.60 1wii h SER 72 N -1.03 -0.77 -0.24 -2.11 0.87 -1.33 -0.81 113.55 108.14 1wii h SER 72 Ca -0.09 0.20 0.06 0.00 -1.23 0.00 0.00 61.79 60.73 1wii h SER 72 Cb 0.84 0.45 -0.07 0.00 -0.44 0.00 0.00 62.40 63.17 1wii h SER 72 CO 0.07 -0.24 -0.23 0.44 -0.53 0.00 0.00 176.83 176.33 1wii h ASP 73 N -0.06 -0.75 -1.01 6.23 5.19 -1.20 -0.63 116.42 124.18 1wii h ASP 73 Ca 0.28 0.14 0.25 0.00 -0.62 0.00 0.00 57.03 57.08 1wii h ASP 73 Cb 0.50 0.36 -0.12 0.00 0.18 0.00 0.00 39.33 40.24 1wii h ASP 73 CO -0.66 -0.27 0.60 -0.25 -3.12 0.00 0.00 179.24 175.54 1wii h TRP 74 N -0.24 0.98 0.56 4.55 7.01 -0.12 0.29 115.95 128.99 1wii h TRP 74 Ca 0.14 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.14 1wii h TRP 74 Cb 0.45 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.23 1wii h TRP 74 CO -0.39 0.05 -0.32 0.82 -2.79 0.00 0.00 178.44 175.81 1wii h ILE 75 N 0.56 0.00 -0.02 2.65 1.08 -0.62 -1.85 117.51 119.31 1wii h ILE 75 Ca 0.65 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 65.12 1wii h ILE 75 Cb 1.27 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.02 1wii h ILE 75 CO -0.47 0.00 0.02 0.44 -0.69 0.00 0.00 178.15 177.45 1wii h ASP 76 N -0.82 0.00 -0.54 1.72 3.32 -1.12 -0.52 116.42 118.45 1wii h ASP 76 Ca -0.08 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 1wii h ASP 76 Cb 0.65 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1wii h ASP 76 CO 0.09 0.00 0.19 0.00 -1.72 0.00 0.00 179.24 177.81 1wii h ALA 77 N 1.99 1.24 0.01 3.45 0.00 -0.12 -3.16 119.26 122.67 1wii h ALA 77 Ca 0.01 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1wii h ALA 77 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1wii h ALA 77 CO -0.00 0.54 -0.63 0.00 0.00 0.00 0.00 179.25 179.16 1wii n GLU 79 N -4.50 -0.05 -3.88 0.00 -0.58 -0.31 -1.70 120.64 109.63 1wii n GLU 79 Ca -0.21 1.05 -0.29 0.00 -0.42 0.00 0.00 57.16 57.30 1wii n GLU 79 Cb 0.59 -1.80 -0.12 0.00 -0.57 0.00 0.00 31.44 29.55 1wii n GLU 79 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1wii s SER 80 N -4.78 4.95 0.00 1.62 0.15 -1.20 -4.90 113.70 109.55 1wii s SER 80 Ca -0.08 -3.86 0.00 0.00 0.70 0.00 0.00 55.95 52.71 1wii s SER 80 Cb 0.24 -1.66 0.00 0.00 -1.71 0.00 0.00 66.02 62.88 1wii s SER 80 CO 0.57 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.53 1wii n GLY 81 N 1.98 -1.83 0.00 9.45 0.00 -0.69 -4.92 105.19 109.19 1wii n GLY 81 Ca 0.20 0.90 0.05 0.00 0.00 0.00 0.00 46.02 47.17 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 0.00 0.49 0.04 1.61 -0.04 -1.26 -3.38 135.00 132.45 1wii n PRO 82 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1wii n PRO 82 Cb 0.00 -1.29 -0.04 0.00 -0.04 0.00 0.00 33.50 32.13 1wii n PRO 82 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wii h SER 83 N 0.00 -0.18 -3.86 3.54 0.87 -1.94 -3.45 113.55 108.53 1wii h SER 83 Ca 0.00 -0.14 -0.51 0.00 -1.23 0.00 0.00 61.79 59.91 1wii h SER 83 Cb 0.00 0.05 0.04 0.00 -0.44 0.00 0.00 62.40 62.04 1wii h SER 83 CO 0.00 0.35 0.51 -0.44 -0.53 0.00 0.00 176.83 176.73 1wii s SER 84 N -5.40 6.96 0.00 6.23 0.01 -1.22 -5.28 113.70 115.01 1wii s SER 84 Ca -0.06 2.37 0.00 0.00 1.31 0.00 0.00 55.95 59.56 1wii s SER 84 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1wii s SER 84 CO 0.22 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.11