#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wff s SER 2 N 0.00 -0.40 0.07 1.61 0.01 -1.26 -5.19 113.70 108.55 1wff s SER 2 Ca 0.00 -0.11 -0.26 0.00 1.31 0.00 0.00 55.95 56.88 1wff s SER 2 Cb 0.00 0.51 0.09 0.00 0.21 0.00 0.00 66.02 66.83 1wff s SER 2 CO 0.00 -0.85 1.16 -0.94 0.41 0.00 0.00 173.24 173.01 1wff s SER 3 N -2.68 -0.04 0.17 2.44 1.04 -1.26 -5.20 113.70 108.17 1wff s SER 3 Ca 0.05 -0.36 -0.25 0.00 0.48 0.00 0.00 55.95 55.87 1wff s SER 3 Cb -0.02 0.31 0.06 0.00 0.10 0.00 0.00 66.02 66.48 1wff s SER 3 CO -0.07 -0.61 0.94 -0.83 0.98 0.00 0.00 173.24 173.65 1wff s GLY 4 N -3.32 -0.21 -0.11 7.32 0.00 -1.26 -5.18 107.32 104.56 1wff s GLY 4 Ca 0.20 0.07 -0.28 0.00 0.00 0.00 0.00 44.72 44.71 1wff s GLY 4 CO 0.01 0.05 0.67 -0.56 0.00 0.00 0.00 173.10 173.26 1wff s SER 5 N -2.96 -0.66 -0.04 1.64 0.01 -1.26 -5.10 113.70 105.34 1wff s SER 5 Ca 0.12 0.89 -0.07 0.00 1.31 0.00 0.00 55.95 58.21 1wff s SER 5 Cb -0.02 0.79 -0.02 0.00 0.21 0.00 0.00 66.02 66.98 1wff s SER 5 CO 0.03 -0.49 -0.13 -1.20 0.41 0.00 0.00 173.24 171.85 1wff n SER 6 N 1.46 1.02 -0.07 2.44 7.64 -1.26 -5.14 113.62 119.71 1wff n SER 6 Ca -0.18 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1wff n SER 6 Cb 0.56 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1wff n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wff n GLY 7 N 2.31 0.67 2.73 0.23 0.00 -1.26 -5.11 105.19 104.77 1wff n GLY 7 Ca -0.05 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 44.69 1wff n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wff s ILE 8 N 0.00 0.06 -0.16 -0.61 1.01 -1.26 -5.13 121.20 115.11 1wff s ILE 8 Ca 0.00 0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.84 1wff s ILE 8 Cb 0.00 -0.26 0.06 0.00 0.01 0.00 0.00 42.46 42.28 1wff s ILE 8 CO 0.00 0.18 0.38 -1.00 0.00 0.00 0.00 174.94 174.50 1wff s HIS 9 N 1.79 -0.57 -0.30 3.97 3.76 -1.26 -5.14 115.29 117.55 1wff s HIS 9 Ca 0.01 1.22 -0.17 0.00 -0.15 0.00 0.00 55.06 55.97 1wff s HIS 9 Cb -0.12 0.22 0.18 0.00 1.11 0.00 0.00 32.58 33.96 1wff s HIS 9 CO -0.03 -0.34 1.13 -1.58 -0.85 0.00 0.00 174.74 173.07 1wff s HIS 10 N 1.59 -0.38 -0.13 1.40 5.04 -1.26 -5.15 115.29 116.40 1wff s HIS 10 Ca -0.08 0.58 -0.04 0.00 -1.54 0.00 0.00 55.06 53.98 1wff s HIS 10 Cb -0.09 0.20 0.06 0.00 0.04 0.00 0.00 32.58 32.78 1wff s HIS 10 CO -0.12 -0.19 0.13 -0.51 -2.34 0.00 0.00 174.74 171.71 1wff s LEU 11 N 2.43 0.09 0.94 8.88 1.43 -1.26 -5.15 118.68 126.04 1wff s LEU 11 Ca -0.02 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 52.84 1wff s LEU 11 Cb -0.05 0.06 0.16 0.00 0.03 0.00 0.00 46.19 46.39 1wff s LEU 11 CO -0.15 -0.30 1.09 -2.16 0.23 0.00 0.00 176.35 175.07 1wff s PRO 12 N 2.23 0.86 0.39 1.29 0.04 -1.26 -5.00 135.00 133.55 1wff s PRO 12 Ca 0.04 0.69 -0.26 0.00 0.04 0.00 0.00 61.00 61.51 1wff s PRO 12 Cb -0.14 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 1wff s PRO 12 CO -0.08 -2.48 1.19 -1.25 0.04 0.00 0.00 177.00 174.43 1wff s PRO 13 N -4.94 4.10 -0.14 0.56 0.04 -1.26 -5.04 135.00 128.31 1wff s PRO 13 Ca 0.64 1.91 0.02 0.00 0.04 0.00 0.00 61.00 63.62 1wff s PRO 13 Cb -0.18 -2.75 0.01 0.00 0.04 0.00 0.00 34.50 31.62 1wff s PRO 13 CO 0.57 -0.31 -0.21 0.54 0.04 0.00 0.00 177.00 177.64 1wff s VAL 14 N -1.36 2.00 -0.05 -0.36 0.11 -1.26 -5.12 120.40 114.36 1wff s VAL 14 Ca 0.56 -0.94 -0.13 0.00 -2.93 0.00 0.00 61.98 58.54 1wff s VAL 14 Cb -0.32 -1.77 0.02 0.00 -1.53 0.00 0.00 36.38 32.78 1wff s VAL 14 CO 0.41 0.54 0.29 -0.54 -3.33 0.00 0.00 175.10 172.48 1wff s LYS 15 N 0.85 0.53 -0.12 1.54 1.02 -1.26 -5.15 119.74 117.15 1wff s LYS 15 Ca -0.07 0.04 -0.00 0.00 0.02 0.00 0.00 55.97 55.96 1wff s LYS 15 Cb -0.15 0.24 0.02 0.00 -0.52 0.00 0.00 37.83 37.42 1wff s LYS 15 CO -0.02 -0.12 -0.09 0.00 -0.92 0.00 0.00 175.35 174.19 1wff s ALA 16 N -0.74 1.45 0.33 5.17 0.00 -1.26 -5.13 121.76 121.60 1wff s ALA 16 Ca -0.08 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 50.97 1wff s ALA 16 Cb -0.04 -0.94 -0.10 0.00 0.00 0.00 0.00 23.12 22.04 1wff s ALA 16 CO 0.02 -0.40 1.22 -1.25 0.00 0.00 0.00 175.76 175.35 1wff s PRO 17 N 1.65 4.36 -0.13 0.00 0.04 -1.26 -5.05 135.00 134.61 1wff s PRO 17 Ca 0.05 2.01 -0.08 0.00 0.04 0.00 0.00 61.00 63.02 1wff s PRO 17 Cb -0.13 -3.01 0.05 0.00 0.04 0.00 0.00 34.50 31.45 1wff s PRO 17 CO -0.09 -0.11 0.33 -1.17 0.04 0.00 0.00 177.00 176.00 1wff s LEU 18 N -1.87 0.26 -0.30 -3.56 2.96 -1.26 -5.14 118.68 109.78 1wff s LEU 18 Ca 0.50 0.70 -0.15 0.00 -0.22 0.00 0.00 54.13 54.95 1wff s LEU 18 Cb -0.35 1.05 0.17 0.00 0.50 0.00 0.00 46.19 47.56 1wff s LEU 18 CO 0.46 -0.17 1.05 0.00 -1.32 0.00 0.00 176.35 176.37 1wff s GLN 19 N 1.14 0.23 -0.09 1.98 0.00 -1.26 -5.03 119.66 116.62 1wff s GLN 19 Ca -0.08 0.52 -0.00 0.00 -0.00 0.00 0.00 55.36 55.80 1wff s GLN 19 Cb -0.08 0.31 0.06 0.00 0.00 0.00 0.00 33.01 33.30 1wff s GLN 19 CO -0.09 -0.12 1.93 0.25 0.00 0.00 0.00 175.29 177.26 1wff n THR 20 N 5.04 2.15 -3.71 3.63 -2.24 -1.26 -4.72 114.28 113.17 1wff n THR 20 Ca -0.08 -0.79 -0.37 0.00 -2.27 0.00 0.00 64.05 60.54 1wff n THR 20 Cb 0.53 -1.41 -0.10 0.00 -2.10 0.00 0.00 70.33 67.26 1wff n THR 20 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1wff s LYS 21 N -0.53 2.43 0.01 -0.78 2.20 -1.26 -5.06 119.74 116.75 1wff s LYS 21 Ca 0.09 -2.28 0.07 0.00 -0.36 0.00 0.00 55.97 53.48 1wff s LYS 21 Cb 0.07 -3.72 -0.02 0.00 -1.51 0.00 0.00 37.83 32.65 1wff s LYS 21 CO 0.00 -1.15 -0.21 -1.59 -0.36 0.00 0.00 175.35 172.04 1wff s LYS 22 N 0.37 1.56 -0.15 4.03 0.00 -1.26 -5.13 119.74 119.15 1wff s LYS 22 Ca 0.14 -0.82 -0.31 0.00 0.00 0.00 0.00 55.97 54.98 1wff s LYS 22 Cb -0.21 -1.57 0.13 0.00 0.00 0.00 0.00 37.83 36.18 1wff s LYS 22 CO -0.04 0.42 1.06 -1.59 0.00 0.00 0.00 175.35 175.20 1wff s LYS 23 N -0.76 0.52 -0.28 1.78 -2.85 -1.26 -5.12 119.74 111.77 1wff s LYS 23 Ca 0.08 -0.02 -0.43 0.00 -1.00 0.00 0.00 55.97 54.60 1wff s LYS 23 Cb -0.08 0.24 -0.19 0.00 -2.06 0.00 0.00 37.83 35.74 1wff s LYS 23 CO 0.00 -0.19 1.49 -0.89 0.10 0.00 0.00 175.35 175.86 1wff n ILE 24 N 0.33 0.07 -3.16 3.79 2.08 -1.26 -4.89 119.36 116.33 1wff n ILE 24 Ca -0.07 -0.01 -0.40 0.00 0.56 0.00 0.00 62.75 62.83 1wff n ILE 24 Cb 0.59 -0.59 -0.07 0.00 -0.75 0.00 0.00 39.64 38.82 1wff n ILE 24 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 1wff s MET 25 N 2.23 4.11 0.12 0.38 -1.94 -1.26 -4.84 119.30 118.10 1wff s MET 25 Ca 0.98 0.48 -0.05 0.00 -1.71 0.00 0.00 55.69 55.39 1wff s MET 25 Cb -1.30 -3.64 -0.02 0.00 2.01 0.00 0.00 34.83 31.88 1wff s MET 25 CO 0.69 -0.36 0.14 0.15 -0.01 0.00 0.00 175.02 175.63 1wff s LYS 26 N 2.35 0.94 -0.14 2.03 1.02 -1.26 -5.09 119.74 119.59 1wff s LYS 26 Ca 0.25 -1.24 -0.30 0.00 0.02 0.00 0.00 55.97 54.70 1wff s LYS 26 Cb -0.16 0.30 0.10 0.00 -0.52 0.00 0.00 37.83 37.56 1wff s LYS 26 CO 0.09 -0.29 0.88 -3.38 -0.92 0.00 0.00 175.35 171.72 1wff s HIS 27 N -3.97 -0.50 0.44 3.18 -3.43 -1.26 -1.27 115.29 108.47 1wff s HIS 27 Ca 0.16 0.91 -0.23 0.00 -0.80 0.00 0.00 55.06 55.10 1wff s HIS 27 Cb 0.06 0.42 -0.10 0.00 -1.43 0.00 0.00 32.58 31.52 1wff s HIS 27 CO -0.03 -0.43 0.89 0.00 -2.00 0.00 0.00 174.74 173.18 1wff n PHE 29 N -0.71 0.59 0.01 0.00 7.35 -0.05 -2.91 117.46 121.74 1wff n PHE 29 Ca 0.10 0.18 -0.01 0.00 -0.76 0.00 0.00 57.45 56.97 1wff n PHE 29 Cb 0.40 -0.86 -0.00 0.00 0.35 0.00 0.00 39.48 39.36 1wff n PHE 29 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1wff h LEU 30 N 0.00 -0.04 0.03 -2.13 5.85 -1.91 -3.42 115.31 113.69 1wff h LEU 30 Ca -0.10 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.46 1wff h LEU 30 Cb 1.27 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 1wff h LEU 30 CO 0.01 0.10 -0.90 0.00 -0.34 0.00 0.00 178.44 177.32 1wff n GLY 32 N 1.56 1.65 3.72 0.00 0.00 -1.14 -5.04 105.19 105.93 1wff n GLY 32 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1wff n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wff s LYS 33 N -0.01 4.57 0.45 1.61 2.20 -1.26 -4.61 119.74 122.68 1wff s LYS 33 Ca 0.00 1.54 -0.24 0.00 -0.36 0.00 0.00 55.97 56.91 1wff s LYS 33 Cb 0.00 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 32.84 1wff s LYS 33 CO 0.00 -0.02 1.17 0.36 -0.36 0.00 0.00 175.35 176.50 1wff n LYS 34 N 3.46 1.63 -3.31 4.03 0.00 -1.26 -0.20 118.16 122.51 1wff n LYS 34 Ca 0.05 0.59 -0.25 0.00 -0.00 0.00 0.00 58.31 58.70 1wff n LYS 34 Cb 0.49 -2.27 -0.08 0.00 -0.00 0.00 0.00 35.03 33.17 1wff n LYS 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1wff n THR 35 N -0.50 -0.02 -0.10 0.58 -2.24 -0.40 -4.78 114.28 106.82 1wff n THR 35 Ca 0.08 -4.21 -0.21 0.00 -2.27 0.00 0.00 64.05 57.44 1wff n THR 35 Cb 0.41 -1.95 -0.11 0.00 -2.10 0.00 0.00 70.33 66.57 1wff n THR 35 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1wff h GLY 36 N 4.39 0.00 -0.68 3.38 0.00 -1.89 -3.39 103.07 104.89 1wff h GLY 36 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.32 1wff h GLY 36 CO 0.54 0.00 -0.07 1.04 0.00 0.00 0.00 176.54 178.05 1wff n LEU 37 N -4.44 0.00 -1.79 3.11 4.32 -1.26 -4.70 117.00 112.24 1wff n LEU 37 Ca -0.31 -0.34 -0.06 0.00 -0.02 0.00 0.00 56.01 55.27 1wff n LEU 37 Cb 0.67 -0.54 -0.09 0.00 -1.62 0.00 0.00 43.42 41.84 1wff n LEU 37 CO 0.19 -2.12 1.29 0.00 -1.22 0.00 0.00 177.39 175.53 1wff n ALA 38 N -3.71 5.11 -0.01 -1.18 0.00 -1.26 -3.58 120.51 115.89 1wff n ALA 38 Ca -0.08 -0.94 0.03 0.00 0.00 0.00 0.00 53.44 52.45 1wff n ALA 38 Cb 0.24 -1.73 -0.06 0.00 0.00 0.00 0.00 19.45 17.90 1wff n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1wff n THR 39 N 2.06 0.03 -1.66 0.00 5.66 -1.26 -5.02 114.28 114.08 1wff n THR 39 Ca 0.22 -0.18 -0.56 0.00 -3.05 0.00 0.00 64.05 60.48 1wff n THR 39 Cb 0.70 0.26 -0.07 0.00 -1.55 0.00 0.00 70.33 69.67 1wff n THR 39 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1wff n SER 40 N -1.79 1.94 -4.50 1.09 3.41 -1.23 -4.55 113.62 107.99 1wff n SER 40 Ca -0.02 1.10 -0.24 0.00 -0.26 0.00 0.00 58.87 59.46 1wff n SER 40 Cb 0.23 -1.13 -0.11 0.00 -0.26 0.00 0.00 64.21 62.94 1wff n SER 40 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1wff s PHE 41 N 2.28 2.16 0.03 7.33 0.08 -1.24 -5.07 117.98 123.56 1wff s PHE 41 Ca 0.94 -0.71 0.06 0.00 0.12 0.00 0.00 56.93 57.33 1wff s PHE 41 Cb -1.07 -1.35 -0.02 0.00 -0.57 0.00 0.00 43.02 40.02 1wff s PHE 41 CO 0.60 0.31 -0.17 -1.83 -0.10 0.00 0.00 175.22 174.03 1wff s GLU 42 N -3.74 1.19 0.32 0.44 1.03 -1.26 -3.53 118.70 113.16 1wff s GLU 42 Ca 0.33 -0.80 0.08 0.00 0.03 0.00 0.00 54.97 54.60 1wff s GLU 42 Cb 0.06 -1.24 -0.04 0.00 -0.80 0.00 0.00 34.13 32.12 1wff s GLU 42 CO 0.15 0.32 0.20 0.00 -1.33 0.00 0.00 175.26 174.59 1wff h ARG 44 N 1.44 0.44 -0.30 0.00 2.47 -1.94 0.13 114.38 116.63 1wff h ARG 44 Ca -0.45 -0.03 -0.12 0.00 -1.26 0.00 0.00 59.98 58.13 1wff h ARG 44 Cb 1.25 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.46 1wff h ARG 44 CO 0.61 0.29 -0.31 0.00 0.56 0.00 0.00 179.97 181.12 1wff n GLY 46 N -0.16 1.82 3.48 0.00 0.00 0.47 -5.02 105.19 105.78 1wff n GLY 46 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1wff n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wff s ASN 47 N -2.00 4.50 -0.27 1.61 0.01 -1.26 -4.88 114.94 112.64 1wff s ASN 47 Ca 0.00 -0.17 -0.29 0.00 -0.71 0.00 0.00 52.86 51.69 1wff s ASN 47 Cb 0.00 -1.55 0.01 0.00 0.41 0.00 0.00 41.25 40.12 1wff s ASN 47 CO 0.00 0.22 1.13 0.21 -1.51 0.00 0.00 177.10 177.15 1wff s ASN 48 N 0.04 6.93 0.31 -1.22 2.47 -1.26 -3.38 114.94 118.83 1wff s ASN 48 Ca -0.02 1.24 0.09 0.00 0.42 0.00 0.00 52.86 54.59 1wff s ASN 48 Cb -0.14 -2.54 -0.06 0.00 -1.45 0.00 0.00 41.25 37.06 1wff s ASN 48 CO 0.03 -0.85 -0.10 -0.36 -3.72 0.00 0.00 177.10 172.11 1wff s PHE 49 N 3.64 2.21 0.85 0.43 0.08 -1.23 -0.87 117.98 123.09 1wff s PHE 49 Ca 0.48 -0.55 -0.12 0.00 0.12 0.00 0.00 56.93 56.86 1wff s PHE 49 Cb -0.15 -1.23 0.10 0.00 -0.57 0.00 0.00 43.02 41.18 1wff s PHE 49 CO 0.14 0.48 1.13 0.00 -0.10 0.00 0.00 175.22 176.88 1wff h ALA 51 N -1.26 2.37 0.04 0.00 0.00 -1.98 2.05 119.26 120.48 1wff h ALA 51 Ca -0.49 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.17 1wff h ALA 51 Cb 1.31 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1wff h ALA 51 CO 0.62 -0.59 -1.03 1.03 0.00 0.00 0.00 179.25 179.28 1wff h SER 52 N 0.00 0.43 -0.19 0.00 0.87 -1.98 -3.29 113.55 109.40 1wff h SER 52 Ca 0.22 -0.39 -0.06 0.00 -1.23 0.00 0.00 61.79 60.33 1wff h SER 52 Cb 0.92 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.71 1wff h SER 52 CO -0.00 1.22 -0.11 1.41 -0.53 0.00 0.00 176.83 178.82 1wff n HIS 53 N -3.65 0.63 0.18 2.24 -0.00 0.09 -4.64 115.22 110.06 1wff n HIS 53 Ca -0.07 -1.25 0.03 0.00 -0.00 0.00 0.00 57.72 56.44 1wff n HIS 53 Cb 0.89 -0.33 0.33 0.00 -0.00 0.00 0.00 29.99 30.89 1wff n HIS 53 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 1wff h ARG 54 N 0.99 0.00 -7.09 -0.41 0.11 0.31 -3.40 114.38 104.89 1wff h ARG 54 Ca 0.07 0.00 -0.46 0.00 0.10 0.00 0.00 59.98 59.70 1wff h ARG 54 Cb 1.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.43 1wff h ARG 54 CO 0.19 0.42 0.36 0.71 0.10 0.00 0.00 179.97 181.75 1wff s TYR 55 N -3.89 3.22 0.05 4.08 1.51 -1.26 -4.67 117.35 116.40 1wff s TYR 55 Ca -0.02 1.58 -0.28 0.00 -1.01 0.00 0.00 57.07 57.33 1wff s TYR 55 Cb 0.13 -2.91 -0.17 0.00 -0.11 0.00 0.00 41.96 38.89 1wff s TYR 55 CO 0.71 -0.40 1.49 0.00 -1.11 0.00 0.00 175.55 176.24 1wff h ALA 56 N 1.59 -0.60 -0.95 3.71 0.00 -1.96 -2.99 119.26 118.06 1wff h ALA 56 Ca -0.49 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.38 1wff h ALA 56 Cb 1.19 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 19.13 1wff h ALA 56 CO 0.60 -0.77 0.58 1.05 0.00 0.00 0.00 179.25 180.71 1wff h GLU 57 N -0.73 0.88 -1.01 0.00 4.11 -1.94 0.12 114.58 116.01 1wff h GLU 57 Ca -0.06 -0.05 0.27 0.00 0.07 0.00 0.00 59.36 59.58 1wff h GLU 57 Cb 0.53 -0.20 -0.13 0.00 0.50 0.00 0.00 28.75 29.45 1wff h GLU 57 CO 0.10 0.58 0.60 0.00 0.07 0.00 0.00 179.01 180.36 1wff h ALA 58 N 1.53 1.87 -0.57 1.06 0.00 -1.87 0.70 119.26 121.98 1wff h ALA 58 Ca 0.48 0.13 -0.40 0.00 0.00 0.00 0.00 54.91 55.12 1wff h ALA 58 Cb 0.50 0.05 -0.28 0.00 0.00 0.00 0.00 17.79 18.06 1wff h ALA 58 CO -0.28 -0.37 -0.44 -2.39 0.00 0.00 0.00 179.25 175.77 1wff n HIS 59 N -4.90 1.99 -4.01 0.00 1.44 -0.39 -4.98 115.22 104.39 1wff n HIS 59 Ca 0.28 -2.07 -0.36 0.00 -2.01 0.00 0.00 57.72 53.56 1wff n HIS 59 Cb 0.81 -0.48 0.00 0.00 0.12 0.00 0.00 29.99 30.45 1wff n HIS 59 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1wff n GLY 60 N -0.89 -0.58 3.05 -1.39 0.00 0.24 -4.76 105.19 100.86 1wff n GLY 60 Ca 0.40 0.24 -0.37 0.00 0.00 0.00 0.00 46.02 46.29 1wff n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wff n ASN 62 N 2.95 2.35 -3.89 0.00 4.13 -1.26 -4.99 115.26 114.55 1wff n ASN 62 Ca 0.03 0.01 -0.54 0.00 1.68 0.00 0.00 54.58 55.75 1wff n ASN 62 Cb 0.50 -0.14 -0.08 0.00 -1.54 0.00 0.00 39.78 38.53 1wff n ASN 62 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wff n TYR 63 N -2.92 1.20 -1.90 3.10 9.36 -1.26 -4.71 117.16 120.03 1wff n TYR 63 Ca -0.12 0.93 -0.32 0.00 3.32 0.00 0.00 57.90 61.72 1wff n TYR 63 Cb 0.61 -1.82 -0.04 0.00 -0.63 0.00 0.00 39.34 37.46 1wff n TYR 63 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1wff s ASP 64 N 1.78 4.91 -0.52 2.98 -1.08 -1.26 -4.80 116.67 118.68 1wff s ASP 64 Ca 0.84 0.17 0.02 0.00 -0.52 0.00 0.00 52.55 53.05 1wff s ASP 64 Cb -1.19 -2.53 0.45 0.00 -1.46 0.00 0.00 42.92 38.18 1wff s ASP 64 CO 0.62 -2.75 1.68 0.00 0.52 0.00 0.00 175.17 175.24 1wff n TYR 65 N 14.39 3.04 -0.08 -5.34 0.18 -1.26 -4.64 117.16 123.45 1wff n TYR 65 Ca 0.32 -2.69 -0.16 0.00 1.88 0.00 0.00 57.90 57.25 1wff n TYR 65 Cb 0.50 -0.98 -0.12 0.00 -0.38 0.00 0.00 39.34 38.37 1wff n TYR 65 CO 0.00 0.00 0.00 -0.22 -2.08 0.00 0.00 176.86 174.56 1wff h LYS 66 N 2.12 0.00 -3.34 -3.48 3.64 -1.99 -3.41 116.57 110.11 1wff h LYS 66 Ca 0.51 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 59.18 1wff h LYS 66 Cb 1.07 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.54 1wff h LYS 66 CO 1.25 0.93 -0.13 -1.12 -2.27 0.00 0.00 179.45 178.10 1wff s SER 67 N -6.38 5.89 -0.27 4.20 0.01 -1.26 -4.80 113.70 111.10 1wff s SER 67 Ca -0.21 -3.62 0.13 0.00 1.31 0.00 0.00 55.95 53.56 1wff s SER 67 Cb 0.00 -1.90 0.48 0.00 0.21 0.00 0.00 66.02 64.81 1wff s SER 67 CO 0.62 -0.21 1.16 0.00 0.41 0.00 0.00 173.24 175.22 1wff n ALA 68 N 2.47 4.03 0.00 1.44 0.00 -1.26 -4.92 120.51 122.26 1wff n ALA 68 Ca 0.20 -3.37 0.00 0.00 0.00 0.00 0.00 53.44 50.27 1wff n ALA 68 Cb 0.37 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1wff n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wff n GLY 69 N -0.66 3.79 3.77 0.00 0.00 -1.26 -5.12 105.19 105.71 1wff n GLY 69 Ca 0.29 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1wff n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wff s ARG 70 N 0.00 4.02 -1.18 1.61 6.06 -1.26 -3.44 118.95 124.76 1wff s ARG 70 Ca 0.00 1.86 -0.03 0.00 -2.50 0.00 0.00 55.73 55.05 1wff s ARG 70 Cb 0.00 -2.66 0.00 0.00 0.06 0.00 0.00 34.95 32.35 1wff s ARG 70 CO 0.00 -0.35 1.01 -2.13 -2.50 0.00 0.00 175.30 171.33 1wff n ARG 71 N 0.03 -6.71 -2.24 5.12 3.00 -1.26 -4.86 116.66 109.74 1wff n ARG 71 Ca 0.04 0.79 -0.28 0.00 -0.00 0.00 0.00 57.85 58.41 1wff n ARG 71 Cb 0.46 -5.67 0.04 0.00 0.00 0.00 0.00 32.46 27.29 1wff n ARG 71 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 1wff s TYR 72 N -3.32 3.28 0.19 -0.14 1.13 -1.22 -5.06 117.35 112.21 1wff s TYR 72 Ca 0.21 0.77 -0.23 0.00 -1.41 0.00 0.00 57.07 56.41 1wff s TYR 72 Cb -0.09 -2.83 -0.08 0.00 -1.10 0.00 0.00 41.96 37.85 1wff s TYR 72 CO 0.68 -0.93 0.76 -0.51 -2.51 0.00 0.00 175.55 173.05 1wff s LEU 73 N -5.10 4.47 -0.17 -3.49 1.43 -1.26 -5.06 118.68 109.51 1wff s LEU 73 Ca 0.55 1.55 -0.09 0.00 -1.03 0.00 0.00 54.13 55.11 1wff s LEU 73 Cb -0.11 -3.44 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 1wff s LEU 73 CO 0.47 0.12 0.15 -1.83 0.23 0.00 0.00 176.35 175.49 1wff s GLU 74 N -1.54 3.95 -0.67 1.70 1.03 -1.26 -5.03 118.70 116.89 1wff s GLU 74 Ca 0.39 -0.16 -0.26 0.00 0.03 0.00 0.00 54.97 54.97 1wff s GLU 74 Cb -0.20 -3.34 -0.01 0.00 -0.80 0.00 0.00 34.13 29.77 1wff s GLU 74 CO 0.24 0.46 1.74 -2.00 -1.33 0.00 0.00 175.26 174.36 1wff s GLU 75 N -0.10 2.76 -0.39 -4.83 2.12 -1.26 -4.91 118.70 112.08 1wff s GLU 75 Ca 0.11 0.33 -0.28 0.00 0.36 0.00 0.00 54.97 55.49 1wff s GLU 75 Cb -0.12 -4.42 -0.08 0.00 0.26 0.00 0.00 34.13 29.78 1wff s GLU 75 CO 0.01 -2.65 2.33 0.00 -0.54 0.00 0.00 175.26 174.40 1wff n ALA 76 N 12.08 1.21 -2.88 6.30 0.00 -1.26 -4.94 120.51 131.02 1wff n ALA 76 Ca 0.18 -0.51 -0.31 0.00 0.00 0.00 0.00 53.44 52.80 1wff n ALA 76 Cb 0.51 -2.96 -0.17 0.00 0.00 0.00 0.00 19.45 16.83 1wff n ALA 76 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wff s ASN 77 N 9.85 3.02 -0.23 0.00 3.84 -1.26 -5.09 114.94 125.06 1wff s ASN 77 Ca 1.03 -0.52 -0.29 0.00 0.21 0.00 0.00 52.86 53.29 1wff s ASN 77 Cb -0.39 -0.99 -0.02 0.00 -0.55 0.00 0.00 41.25 39.30 1wff s ASN 77 CO 0.34 0.22 1.62 -2.16 -2.79 0.00 0.00 177.10 174.33 1wff s PRO 78 N -0.01 3.76 -0.25 0.43 0.04 -1.26 -4.95 135.00 132.75 1wff s PRO 78 Ca -0.08 1.62 -0.27 0.00 0.04 0.00 0.00 61.00 62.31 1wff s PRO 78 Cb -0.15 -4.05 0.15 0.00 0.04 0.00 0.00 34.50 30.49 1wff s PRO 78 CO 0.05 -1.34 1.16 0.54 0.04 0.00 0.00 177.00 177.44 1wff s VAL 79 N 5.32 0.00 0.76 -0.36 0.11 -1.26 -5.17 120.40 119.80 1wff s VAL 79 Ca 0.72 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.66 1wff s VAL 79 Cb -0.24 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.65 1wff s VAL 79 CO 0.30 0.00 1.09 -0.94 -3.33 0.00 0.00 175.10 172.22 1wff s SER 80 N -0.38 4.63 0.63 3.54 1.04 -1.26 -4.96 113.70 116.93 1wff s SER 80 Ca 0.03 1.83 -0.17 0.00 0.48 0.00 0.00 55.95 58.12 1wff s SER 80 Cb -0.03 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 63.50 1wff s SER 80 CO -0.06 -1.95 0.55 0.61 0.98 0.00 0.00 173.24 173.36 1wff n GLY 81 N -1.20 -1.44 3.77 7.32 0.00 -1.26 -4.92 105.19 107.46 1wff n GLY 81 Ca 0.09 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1wff n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wff s PRO 82 N -2.37 3.86 0.11 1.61 0.04 -1.26 -4.90 135.00 132.09 1wff s PRO 82 Ca 0.68 1.82 -0.24 0.00 0.04 0.00 0.00 61.00 63.29 1wff s PRO 82 Cb -0.41 -2.51 -0.14 0.00 0.04 0.00 0.00 34.50 31.49 1wff s PRO 82 CO 0.55 -0.48 0.52 0.45 0.04 0.00 0.00 177.00 178.08 1wff n SER 83 N -0.28 -0.70 0.31 6.66 2.88 -1.26 -4.86 113.62 116.37 1wff n SER 83 Ca 0.06 0.88 -0.16 0.00 -1.33 0.00 0.00 58.87 58.32 1wff n SER 83 Cb 0.47 -0.73 -0.08 0.00 -0.75 0.00 0.00 64.21 63.12 1wff n SER 83 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wff h SER 84 N 1.21 -0.67 0.00 -3.46 0.87 -2.04 -3.56 113.55 105.90 1wff h SER 84 Ca -0.27 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1wff h SER 84 Cb 1.11 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1wff h SER 84 CO 0.46 -0.36 0.00 0.61 -0.53 0.00 0.00 176.83 177.00