#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wff n SER 2 N 0.00 -3.82 -4.17 1.61 2.88 -1.26 -5.03 113.62 103.83 1wff n SER 2 Ca 0.00 -0.43 -0.13 0.00 -1.33 0.00 0.00 58.87 56.97 1wff n SER 2 Cb 0.00 -3.95 -0.11 0.00 -0.75 0.00 0.00 64.21 59.41 1wff n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wff s SER 3 N -3.60 1.34 0.00 -3.46 0.15 -1.26 -5.16 113.70 101.72 1wff s SER 3 Ca 0.24 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 56.03 1wff s SER 3 Cb -0.11 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 1wff s SER 3 CO 0.55 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.28 1wff n GLY 4 N 0.40 0.54 3.67 9.45 0.00 -1.26 -5.19 105.19 112.79 1wff n GLY 4 Ca -0.15 -0.89 -0.00 0.00 0.00 0.00 0.00 46.02 44.98 1wff n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wff s SER 5 N 0.00 -0.10 -0.16 1.61 1.04 -1.26 -5.19 113.70 109.63 1wff s SER 5 Ca 0.00 -0.23 -0.34 0.00 0.48 0.00 0.00 55.95 55.86 1wff s SER 5 Cb 0.00 0.28 0.13 0.00 0.10 0.00 0.00 66.02 66.53 1wff s SER 5 CO 0.00 -0.51 1.18 -0.55 0.98 0.00 0.00 173.24 174.34 1wff s SER 6 N -2.95 -0.15 0.00 7.02 0.15 -1.26 -5.18 113.70 111.33 1wff s SER 6 Ca 0.13 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1wff s SER 6 Cb 0.03 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1wff s SER 6 CO -0.02 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1wff n GLY 7 N -0.13 4.11 3.14 9.45 0.00 -1.26 -5.17 105.19 115.33 1wff n GLY 7 Ca -0.01 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.23 0.03 -0.16 -0.61 1.01 -1.26 -5.16 121.20 114.83 1wff s ILE 8 Ca 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.33 1wff s ILE 8 Cb 0.00 -0.40 0.05 0.00 0.01 0.00 0.00 42.46 42.12 1wff s ILE 8 CO 0.00 -0.13 0.38 -1.00 0.00 0.00 0.00 174.94 174.20 1wff s HIS 9 N -0.44 -0.53 -0.23 3.97 3.76 -1.26 -5.15 115.29 115.41 1wff s HIS 9 Ca -0.05 1.17 -0.10 0.00 -0.15 0.00 0.00 55.06 55.93 1wff s HIS 9 Cb -0.04 0.21 0.09 0.00 1.11 0.00 0.00 32.58 33.95 1wff s HIS 9 CO 0.01 -0.30 0.52 -1.58 -0.85 0.00 0.00 174.74 172.54 1wff s HIS 10 N 1.14 -0.90 -0.05 1.40 5.04 -1.26 -5.16 115.29 115.50 1wff s HIS 10 Ca -0.08 1.74 0.03 0.00 -1.54 0.00 0.00 55.06 55.22 1wff s HIS 10 Cb -0.07 0.46 -0.03 0.00 0.04 0.00 0.00 32.58 32.98 1wff s HIS 10 CO -0.10 -0.48 -0.11 -0.51 -2.34 0.00 0.00 174.74 171.20 1wff s LEU 11 N 2.07 2.91 0.21 8.88 1.43 -1.26 -5.10 118.68 127.81 1wff s LEU 11 Ca -0.07 -0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 1wff s LEU 11 Cb -0.09 -1.62 -0.09 0.00 0.03 0.00 0.00 46.19 44.42 1wff s LEU 11 CO -0.16 0.34 1.29 -2.16 0.23 0.00 0.00 176.35 175.90 1wff s PRO 12 N -0.84 4.40 0.81 1.29 0.04 -1.26 -5.02 135.00 134.43 1wff s PRO 12 Ca 0.12 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.10 1wff s PRO 12 Cb -0.11 -3.19 0.08 0.00 0.04 0.00 0.00 34.50 31.33 1wff s PRO 12 CO 0.02 -0.22 1.09 -1.25 0.04 0.00 0.00 177.00 176.68 1wff s PRO 13 N -0.31 1.93 -0.13 0.56 0.04 -1.26 -5.07 135.00 130.77 1wff s PRO 13 Ca 0.55 1.06 -0.04 0.00 0.04 0.00 0.00 61.00 62.61 1wff s PRO 13 Cb -0.36 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.36 1wff s PRO 13 CO 0.39 -1.84 0.10 0.08 0.04 0.00 0.00 177.00 175.78 1wff s VAL 14 N -2.91 -0.14 0.02 -0.36 1.01 -1.26 -5.14 120.40 111.62 1wff s VAL 14 Ca 0.62 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.51 1wff s VAL 14 Cb -0.17 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 35.80 1wff s VAL 14 CO 0.56 -0.09 0.35 -1.59 0.00 0.00 0.00 175.10 174.33 1wff s LYS 15 N 2.19 0.81 -0.28 2.72 -2.85 -1.26 -5.17 119.74 115.89 1wff s LYS 15 Ca 0.04 -0.33 -0.23 0.00 -1.00 0.00 0.00 55.97 54.44 1wff s LYS 15 Cb -0.14 0.36 0.12 0.00 -2.06 0.00 0.00 37.83 36.11 1wff s LYS 15 CO -0.07 -0.25 1.01 0.00 0.10 0.00 0.00 175.35 176.14 1wff s ALA 16 N -2.07 -2.02 0.31 0.59 0.00 -1.26 -5.16 121.76 112.15 1wff s ALA 16 Ca -0.08 1.94 -0.29 0.00 0.00 0.00 0.00 51.96 53.53 1wff s ALA 16 Cb -0.02 -1.48 -0.10 0.00 0.00 0.00 0.00 23.12 21.52 1wff s ALA 16 CO 0.00 -0.26 1.23 -1.25 0.00 0.00 0.00 175.76 175.48 1wff s PRO 17 N 0.44 4.46 -0.98 0.00 0.04 -1.26 -4.97 135.00 132.74 1wff s PRO 17 Ca 0.01 2.06 -0.18 0.00 0.04 0.00 0.00 61.00 62.93 1wff s PRO 17 Cb -0.05 -3.12 0.14 0.00 0.04 0.00 0.00 34.50 31.51 1wff s PRO 17 CO -0.08 -0.04 1.18 -0.51 0.04 0.00 0.00 177.00 177.59 1wff s LEU 18 N -1.60 5.04 -0.08 -3.56 1.02 -1.26 -4.99 118.68 113.25 1wff s LEU 18 Ca 0.47 -2.19 0.04 0.00 0.02 0.00 0.00 54.13 52.47 1wff s LEU 18 Cb -0.37 -2.40 0.00 0.00 0.02 0.00 0.00 46.19 43.44 1wff s LEU 18 CO 0.48 -1.02 -0.21 -1.58 0.02 0.00 0.00 176.35 174.04 1wff s GLN 19 N 2.53 2.61 0.01 1.70 0.74 -1.26 -5.13 119.66 120.85 1wff s GLN 19 Ca 0.34 -0.76 0.01 0.00 0.05 0.00 0.00 55.36 55.00 1wff s GLN 19 Cb -0.04 -2.04 -0.01 0.00 1.10 0.00 0.00 33.01 32.02 1wff s GLN 19 CO -0.08 0.18 -0.03 -0.08 -0.55 0.00 0.00 175.29 174.73 1wff s THR 20 N 0.32 0.23 -0.16 -0.34 -1.32 -1.26 -5.15 115.64 107.97 1wff s THR 20 Ca -0.15 -0.30 -0.05 0.00 -1.21 0.00 0.00 61.69 59.98 1wff s THR 20 Cb -0.17 -0.23 -0.03 0.00 -1.51 0.00 0.00 72.50 70.56 1wff s THR 20 CO 0.07 -0.05 0.01 -0.54 -2.21 0.00 0.00 174.62 171.90 1wff s LYS 21 N -0.37 3.70 0.06 7.08 1.02 -1.26 -5.11 119.74 124.86 1wff s LYS 21 Ca -0.02 -0.43 0.03 0.00 0.02 0.00 0.00 55.97 55.57 1wff s LYS 21 Cb -0.03 -3.02 -0.03 0.00 -0.52 0.00 0.00 37.83 34.23 1wff s LYS 21 CO -0.00 0.33 -0.09 -1.59 -0.92 0.00 0.00 175.35 173.08 1wff s LYS 22 N 0.16 0.62 0.05 1.68 -2.85 -1.26 -5.16 119.74 112.98 1wff s LYS 22 Ca 0.01 -0.88 0.05 0.00 -1.00 0.00 0.00 55.97 54.15 1wff s LYS 22 Cb -0.13 -0.36 -0.02 0.00 -2.06 0.00 0.00 37.83 35.26 1wff s LYS 22 CO 0.02 0.06 -0.14 -1.59 0.10 0.00 0.00 175.35 173.80 1wff s LYS 23 N -1.96 0.87 0.25 1.78 -2.85 -1.26 -5.11 119.74 111.46 1wff s LYS 23 Ca -0.05 -0.82 -0.24 0.00 -1.00 0.00 0.00 55.97 53.86 1wff s LYS 23 Cb -0.08 -0.87 -0.15 0.00 -2.06 0.00 0.00 37.83 34.67 1wff s LYS 23 CO -0.00 0.21 0.35 -0.89 0.10 0.00 0.00 175.35 175.11 1wff n ILE 24 N 1.68 1.42 -3.79 3.79 5.41 -1.26 -4.98 119.36 121.63 1wff n ILE 24 Ca -0.19 -0.46 -0.13 0.00 1.00 0.00 0.00 62.75 62.97 1wff n ILE 24 Cb 0.55 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 39.34 1wff n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wff s MET 25 N -0.92 0.08 -0.00 0.38 0.23 -1.26 -5.15 119.30 112.66 1wff s MET 25 Ca 0.57 0.24 0.01 0.00 -1.03 0.00 0.00 55.69 55.48 1wff s MET 25 Cb -0.76 -0.08 0.00 0.00 -1.53 0.00 0.00 34.83 32.46 1wff s MET 25 CO 0.53 -0.10 -0.02 0.15 -2.03 0.00 0.00 175.02 173.56 1wff s LYS 26 N 0.64 0.19 -0.28 3.16 1.02 -1.26 -5.13 119.74 118.09 1wff s LYS 26 Ca -0.05 -0.06 -0.24 0.00 0.02 0.00 0.00 55.97 55.64 1wff s LYS 26 Cb -0.07 -0.21 0.10 0.00 -0.52 0.00 0.00 37.83 37.14 1wff s LYS 26 CO -0.03 0.02 0.91 -3.38 -0.92 0.00 0.00 175.35 171.96 1wff s HIS 27 N 0.08 -0.61 0.49 3.18 -3.43 -1.26 -2.96 115.29 110.79 1wff s HIS 27 Ca -0.01 1.46 -0.17 0.00 -0.80 0.00 0.00 55.06 55.54 1wff s HIS 27 Cb -0.02 0.34 -0.14 0.00 -1.43 0.00 0.00 32.58 31.32 1wff s HIS 27 CO -0.00 -0.29 -0.13 0.00 -2.00 0.00 0.00 174.74 172.32 1wff n PHE 29 N -1.46 0.02 0.08 0.00 7.35 0.20 -3.28 117.46 120.37 1wff n PHE 29 Ca 0.08 0.01 -0.04 0.00 -0.76 0.00 0.00 57.45 56.73 1wff n PHE 29 Cb 0.45 -0.73 -0.02 0.00 0.35 0.00 0.00 39.48 39.54 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 -0.21 0.02 -2.13 5.85 -1.91 -3.42 115.31 113.51 1wff h LEU 30 Ca -0.24 0.01 -0.35 0.00 0.84 0.00 0.00 57.88 58.14 1wff h LEU 30 Cb 1.55 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.59 1wff h LEU 30 CO 0.01 0.02 -1.92 0.00 -0.34 0.00 0.00 178.44 176.22 1wff n GLY 32 N 1.53 1.82 3.77 0.00 0.00 -1.21 -5.04 105.19 106.07 1wff n GLY 32 Ca -0.41 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 1wff n GLY 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wff n LYS 33 N -0.43 2.66 -2.09 1.61 4.81 -1.26 -4.59 118.16 118.87 1wff n LYS 33 Ca 0.00 0.93 -0.28 0.00 -0.87 0.00 0.00 58.31 58.09 1wff n LYS 33 Cb 0.00 -2.66 -0.05 0.00 0.02 0.00 0.00 35.03 32.34 1wff n LYS 33 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1wff s LYS 34 N -2.08 2.60 -1.10 1.64 -2.85 -1.26 -1.52 119.74 115.18 1wff s LYS 34 Ca 0.53 -0.76 -0.12 0.00 -1.00 0.00 0.00 55.97 54.62 1wff s LYS 34 Cb -0.48 -5.17 0.22 0.00 -2.06 0.00 0.00 37.83 30.35 1wff s LYS 34 CO 0.64 -3.58 1.18 0.95 0.10 0.00 0.00 175.35 174.63 1wff s THR 35 N 10.18 5.53 0.00 3.79 -4.23 -1.16 -4.94 115.64 124.82 1wff s THR 35 Ca 0.68 -2.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.29 1wff s THR 35 Cb -0.03 -4.71 0.00 0.00 1.34 0.00 0.00 72.50 69.10 1wff s THR 35 CO 0.06 -1.34 0.00 0.61 -0.54 0.00 0.00 174.62 173.41 1wff n GLY 36 N 3.55 1.25 0.10 3.99 0.00 -1.25 -4.00 105.19 108.82 1wff n GLY 36 Ca 0.27 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 1wff n GLY 36 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wff h LEU 37 N 0.00 -0.10-10.66 0.99 6.46 -1.94 -3.44 115.31 106.62 1wff h LEU 37 Ca 0.00 -0.49 -0.47 0.00 -0.12 0.00 0.00 57.88 56.80 1wff h LEU 37 Cb 0.00 0.03 0.05 0.00 -0.73 0.00 0.00 40.66 40.01 1wff h LEU 37 CO 0.00 0.53 -0.01 0.00 -0.62 0.00 0.00 178.44 178.34 1wff s ALA 38 N -3.42 4.22 -1.51 1.25 0.00 -1.26 -4.49 121.76 116.54 1wff s ALA 38 Ca -0.14 -1.91 -0.14 0.00 0.00 0.00 0.00 51.96 49.77 1wff s ALA 38 Cb -0.00 -1.74 0.10 0.00 0.00 0.00 0.00 23.12 21.49 1wff s ALA 38 CO 0.53 -1.11 0.77 2.41 0.00 0.00 0.00 175.76 178.35 1wff n THR 39 N -2.50 -1.39 -4.82 0.00 -1.04 -1.26 -4.74 114.28 98.52 1wff n THR 39 Ca 0.15 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.90 1wff n THR 39 Cb 0.61 -2.19 -0.15 0.00 -1.82 0.00 0.00 70.33 66.77 1wff n THR 39 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1wff s SER 40 N -3.10 2.23 0.23 8.00 1.04 -1.26 -4.18 113.70 116.66 1wff s SER 40 Ca 0.60 -0.38 -0.08 0.00 0.48 0.00 0.00 55.95 56.57 1wff s SER 40 Cb -0.32 -0.23 -0.02 0.00 0.10 0.00 0.00 66.02 65.56 1wff s SER 40 CO 0.74 0.21 0.35 -0.36 0.98 0.00 0.00 173.24 175.16 1wff s PHE 41 N -0.53 0.66 0.07 5.02 0.08 -1.22 -5.00 117.98 117.06 1wff s PHE 41 Ca 0.07 -0.97 0.05 0.00 0.12 0.00 0.00 56.93 56.20 1wff s PHE 41 Cb -0.08 -0.09 -0.03 0.00 -0.57 0.00 0.00 43.02 42.25 1wff s PHE 41 CO -0.00 -0.86 -0.14 -1.21 -0.10 0.00 0.00 175.22 172.91 1wff s GLU 42 N -4.07 0.81 0.36 0.44 8.01 -1.26 -3.71 118.70 119.28 1wff s GLU 42 Ca 0.29 -0.96 0.09 0.00 0.01 0.00 0.00 54.97 54.39 1wff s GLU 42 Cb 0.02 -0.80 -0.06 0.00 -4.31 0.00 0.00 34.13 28.99 1wff s GLU 42 CO 0.10 0.17 0.04 0.00 0.01 0.00 0.00 175.26 175.58 1wff h ARG 44 N 1.74 0.12 -0.48 0.00 2.47 -1.98 -2.95 114.38 113.30 1wff h ARG 44 Ca -0.43 -0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 58.15 1wff h ARG 44 Cb 1.25 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.55 1wff h ARG 44 CO 0.69 0.47 -0.05 0.00 0.56 0.00 0.00 179.97 181.64 1wff n GLY 46 N -0.31 1.99 3.09 0.00 0.00 -1.12 -5.04 105.19 103.79 1wff n GLY 46 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 2.77 0.04 1.61 0.01 -1.26 -4.97 114.94 111.14 1wff s ASN 47 Ca 0.00 -0.52 -0.30 0.00 -0.71 0.00 0.00 52.86 51.33 1wff s ASN 47 Cb 0.00 -1.26 -0.05 0.00 0.41 0.00 0.00 41.25 40.36 1wff s ASN 47 CO 0.00 0.01 1.11 0.21 -1.51 0.00 0.00 177.10 176.92 1wff s ASN 48 N 1.10 7.20 0.19 -1.22 2.47 -1.26 -3.79 114.94 119.63 1wff s ASN 48 Ca -0.02 1.88 0.03 0.00 0.42 0.00 0.00 52.86 55.16 1wff s ASN 48 Cb -0.14 -2.58 -0.05 0.00 -1.45 0.00 0.00 41.25 37.03 1wff s ASN 48 CO -0.05 -0.38 -0.03 -0.36 -3.72 0.00 0.00 177.10 172.56 1wff s PHE 49 N 1.02 1.37 1.04 0.43 0.08 -1.24 0.59 117.98 121.26 1wff s PHE 49 Ca 0.56 -0.92 -0.17 0.00 0.12 0.00 0.00 56.93 56.53 1wff s PHE 49 Cb -0.26 -0.77 0.22 0.00 -0.57 0.00 0.00 43.02 41.65 1wff s PHE 49 CO 0.29 -0.07 1.23 0.00 -0.10 0.00 0.00 175.22 176.57 1wff h ALA 51 N -1.96 1.52 -0.00 0.00 0.00 -1.95 1.49 119.26 118.36 1wff h ALA 51 Ca -0.45 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.18 1wff h ALA 51 Cb 1.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1wff h ALA 51 CO 0.39 0.39 -0.83 1.03 0.00 0.00 0.00 179.25 180.23 1wff h SER 52 N 0.64 0.18 -0.27 0.00 0.87 -1.96 -3.22 113.55 109.79 1wff h SER 52 Ca 0.16 -0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 1wff h SER 52 Cb 0.07 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 61.93 1wff h SER 52 CO -0.02 0.93 -0.03 1.41 -0.53 0.00 0.00 176.83 178.58 1wff n HIS 53 N -3.66 0.92 0.20 2.24 -0.00 -0.83 -4.60 115.22 109.49 1wff n HIS 53 Ca -0.03 -1.20 0.07 0.00 -0.00 0.00 0.00 57.72 56.56 1wff n HIS 53 Cb 0.78 -0.38 0.39 0.00 -0.00 0.00 0.00 29.99 30.78 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 1.28 0.00 -7.17 -0.41 0.11 0.21 -3.39 114.38 105.00 1wff h ARG 54 Ca 0.10 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 59.68 1wff h ARG 54 Cb 1.50 0.00 0.07 0.00 1.11 0.00 0.00 29.97 32.65 1wff h ARG 54 CO 0.27 0.32 0.39 0.71 0.10 0.00 0.00 179.97 181.76 1wff s TYR 55 N -3.68 2.83 0.02 4.08 2.02 -1.26 -4.86 117.35 116.50 1wff s TYR 55 Ca -0.00 1.54 -0.15 0.00 -0.37 0.00 0.00 57.07 58.08 1wff s TYR 55 Cb 0.11 -3.11 -0.08 0.00 -0.40 0.00 0.00 41.96 38.48 1wff s TYR 55 CO 0.67 -1.33 1.16 0.00 -1.57 0.00 0.00 175.55 174.48 1wff h ALA 56 N 0.55 -1.08 -0.98 3.71 0.00 -1.96 -3.05 119.26 116.45 1wff h ALA 56 Ca -0.48 -0.12 0.24 0.00 0.00 0.00 0.00 54.91 54.56 1wff h ALA 56 Cb 1.23 0.21 -0.13 0.00 0.00 0.00 0.00 17.79 19.11 1wff h ALA 56 CO 0.56 -1.04 0.54 1.05 0.00 0.00 0.00 179.25 180.37 1wff h GLU 57 N -0.57 0.51 -1.02 0.00 4.11 -1.93 0.24 114.58 115.92 1wff h GLU 57 Ca -0.06 -0.03 0.26 0.00 0.07 0.00 0.00 59.36 59.60 1wff h GLU 57 Cb 0.42 -0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.43 1wff h GLU 57 CO 0.09 0.34 0.61 0.00 0.07 0.00 0.00 179.01 180.12 1wff h ALA 58 N 1.73 1.90 -0.17 1.06 0.00 -1.87 0.67 119.26 122.59 1wff h ALA 58 Ca 0.63 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.56 1wff h ALA 58 Cb 1.21 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1wff h ALA 58 CO -0.50 -0.38 -0.35 -2.39 0.00 0.00 0.00 179.25 175.63 1wff n HIS 59 N -4.85 0.56 -3.73 0.00 1.44 0.71 -4.98 115.22 104.36 1wff n HIS 59 Ca 0.27 -1.59 -0.23 0.00 -2.01 0.00 0.00 57.72 54.16 1wff n HIS 59 Cb 0.80 -0.36 0.00 0.00 0.12 0.00 0.00 29.99 30.56 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 -1.10 -1.26 3.70 -1.39 0.00 0.23 -4.84 105.19 100.53 1wff n GLY 60 Ca 0.26 0.62 -0.39 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.77 3.10 0.01 0.00 6.94 -1.26 -4.65 115.26 118.63 1wff n ASN 62 Ca 0.11 -3.84 0.00 0.00 -0.02 0.00 0.00 54.58 50.83 1wff n ASN 62 Cb 0.44 -0.46 -0.11 0.00 -2.36 0.00 0.00 39.78 37.30 1wff n ASN 62 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wff n TYR 63 N -0.95 0.68 -3.30 -2.53 4.19 -1.26 -4.99 117.16 109.00 1wff n TYR 63 Ca 0.30 0.23 -0.15 0.00 3.31 0.00 0.00 57.90 61.58 1wff n TYR 63 Cb 0.81 -0.99 0.08 0.00 0.49 0.00 0.00 39.34 39.74 1wff n TYR 63 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1wff n ASP 64 N -2.77 -2.24 -3.77 2.98 -0.08 -1.26 -4.74 116.55 104.67 1wff n ASP 64 Ca -0.13 -0.57 -0.48 0.00 -1.51 0.00 0.00 54.79 52.11 1wff n ASP 64 Cb 0.85 -4.74 -0.11 0.00 2.34 0.00 0.00 41.12 39.46 1wff n ASP 64 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1wff n TYR 65 N -3.82 0.86 -3.91 -0.67 4.02 -1.26 -4.88 117.16 107.50 1wff n TYR 65 Ca -0.26 0.58 -0.34 0.00 -0.01 0.00 0.00 57.90 57.87 1wff n TYR 65 Cb 0.65 -2.02 -0.05 0.00 -0.02 0.00 0.00 39.34 37.90 1wff n TYR 65 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1wff s LYS 66 N 5.97 3.42 -1.69 -0.72 2.47 -1.26 -4.39 119.74 123.53 1wff s LYS 66 Ca 1.09 -0.27 -0.18 0.00 -1.56 0.00 0.00 55.97 55.04 1wff s LYS 66 Cb -1.25 -3.11 0.15 0.00 -1.46 0.00 0.00 37.83 32.16 1wff s LYS 66 CO 0.53 0.70 0.82 0.43 0.16 0.00 0.00 175.35 178.00 1wff n SER 67 N 1.27 -3.53 0.03 1.43 7.64 -1.26 -4.77 113.62 114.42 1wff n SER 67 Ca -0.14 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 58.76 1wff n SER 67 Cb 0.53 -2.89 0.00 0.00 -1.01 0.00 0.00 64.21 60.84 1wff n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wff n ALA 68 N -4.42 3.00 0.00 -0.43 0.00 -1.26 -5.09 120.51 112.31 1wff n ALA 68 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1wff n ALA 68 Cb 0.49 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.20 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 2.52 -1.71 3.10 0.00 0.00 -1.26 -5.18 105.19 102.66 1wff n GLY 69 Ca 0.00 0.74 -0.10 0.00 0.00 0.00 0.00 46.02 46.66 1wff n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wff s ARG 70 N 0.00 0.64 0.01 1.61 1.04 -1.26 -5.07 118.95 115.92 1wff s ARG 70 Ca 0.00 -1.10 -0.05 0.00 -1.04 0.00 0.00 55.73 53.54 1wff s ARG 70 Cb 0.00 -0.06 -0.02 0.00 -2.04 0.00 0.00 34.95 32.83 1wff s ARG 70 CO 0.00 -0.04 -0.10 -2.13 -0.04 0.00 0.00 175.30 173.00 1wff n ARG 71 N 0.50 0.15 -1.33 3.89 0.63 -1.26 -5.04 116.66 114.19 1wff n ARG 71 Ca -0.16 0.06 -0.45 0.00 -0.92 0.00 0.00 57.85 56.38 1wff n ARG 71 Cb 0.59 -0.70 -0.02 0.00 0.45 0.00 0.00 32.46 32.77 1wff n ARG 71 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1wff n TYR 72 N -3.61 -0.86 -3.74 -0.14 9.36 -1.26 -4.92 117.16 111.98 1wff n TYR 72 Ca -0.04 0.86 -0.36 0.00 3.32 0.00 0.00 57.90 61.68 1wff n TYR 72 Cb 0.14 -1.85 -0.07 0.00 -0.63 0.00 0.00 39.34 36.93 1wff n TYR 72 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1wff s LEU 73 N 3.23 4.28 -0.04 2.98 1.43 -1.26 -5.09 118.68 124.21 1wff s LEU 73 Ca 0.61 0.36 0.04 0.00 -1.03 0.00 0.00 54.13 54.11 1wff s LEU 73 Cb -0.83 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.25 1wff s LEU 73 CO 0.56 0.24 -0.15 -0.70 0.23 0.00 0.00 176.35 176.53 1wff s GLU 74 N -0.10 1.61 -0.80 1.70 2.56 -1.26 -5.09 118.70 117.31 1wff s GLU 74 Ca 0.12 -0.52 -0.17 0.00 0.00 0.00 0.00 54.97 54.40 1wff s GLU 74 Cb -0.12 -1.40 0.16 0.00 2.00 0.00 0.00 34.13 34.77 1wff s GLU 74 CO 0.01 0.19 0.88 -2.00 -0.56 0.00 0.00 175.26 173.78 1wff s GLU 75 N 0.15 3.46 -0.21 4.30 2.12 -1.26 -4.98 118.70 122.29 1wff s GLU 75 Ca -0.05 -1.92 -0.14 0.00 0.36 0.00 0.00 54.97 53.22 1wff s GLU 75 Cb -0.11 -4.57 0.06 0.00 0.26 0.00 0.00 34.13 29.77 1wff s GLU 75 CO 0.02 -1.53 0.53 0.00 -0.54 0.00 0.00 175.26 173.74 1wff s ALA 76 N 1.72 -1.38 -0.18 6.30 0.00 -1.26 -5.12 121.76 121.84 1wff s ALA 76 Ca 0.22 1.78 -0.37 0.00 0.00 0.00 0.00 51.96 53.59 1wff s ALA 76 Cb -0.12 -1.05 -0.13 0.00 0.00 0.00 0.00 23.12 21.81 1wff s ALA 76 CO -0.05 -0.29 1.83 0.09 0.00 0.00 0.00 175.76 177.33 1wff n ASN 77 N 3.78 2.97 -3.54 0.00 3.02 -1.26 -4.95 115.26 115.28 1wff n ASN 77 Ca -0.19 1.01 -0.29 0.00 -0.03 0.00 0.00 54.58 55.07 1wff n ASN 77 Cb 0.57 -1.27 0.25 0.00 -0.61 0.00 0.00 39.78 38.72 1wff n ASN 77 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1wff n PRO 78 N 6.14 -3.13 -4.51 3.52 -0.04 -1.26 -5.09 135.00 130.64 1wff n PRO 78 Ca 0.25 -1.72 -0.25 0.00 -0.04 0.00 0.00 63.50 61.74 1wff n PRO 78 Cb 0.22 -1.62 -0.10 0.00 -0.04 0.00 0.00 33.50 31.96 1wff n PRO 78 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1wff s VAL 79 N -2.95 2.11 -0.62 0.52 -7.23 -1.26 -5.07 120.40 105.90 1wff s VAL 79 Ca 0.70 -2.21 -0.27 0.00 -1.81 0.00 0.00 61.98 58.39 1wff s VAL 79 Cb -0.07 -2.56 -0.00 0.00 0.56 0.00 0.00 36.38 34.31 1wff s VAL 79 CO 0.54 -0.25 1.65 -0.55 -0.31 0.00 0.00 175.10 176.17 1wff s SER 80 N -3.56 5.66 0.45 4.85 0.15 -1.26 -4.97 113.70 115.02 1wff s SER 80 Ca 0.31 0.20 0.06 0.00 0.70 0.00 0.00 55.95 57.22 1wff s SER 80 Cb 0.02 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 1wff s SER 80 CO 0.15 -2.10 0.10 -0.83 1.20 0.00 0.00 173.24 171.76 1wff s GLY 81 N 6.35 2.56 1.08 9.45 0.00 -1.26 -5.14 107.32 120.36 1wff s GLY 81 Ca 0.58 -1.70 -0.15 0.00 0.00 0.00 0.00 44.72 43.45 1wff s GLY 81 CO 0.21 -2.04 1.10 2.56 0.00 0.00 0.00 173.10 174.92 1wff s PRO 82 N -3.87 -0.24 0.27 2.90 0.04 -1.26 -5.09 135.00 127.75 1wff s PRO 82 Ca 0.30 0.29 -0.20 0.00 0.04 0.00 0.00 61.00 61.43 1wff s PRO 82 Cb 0.05 -1.68 0.02 0.00 0.04 0.00 0.00 34.50 32.93 1wff s PRO 82 CO 0.16 -3.13 0.69 0.45 0.04 0.00 0.00 177.00 175.21 1wff s SER 83 N -3.60 -0.24 -0.18 6.66 0.15 -1.26 -5.16 113.70 110.07 1wff s SER 83 Ca 0.67 -0.65 -0.21 0.00 0.70 0.00 0.00 55.95 56.46 1wff s SER 83 Cb -0.16 0.71 0.06 0.00 -1.71 0.00 0.00 66.02 64.92 1wff s SER 83 CO 0.57 -1.32 0.57 -0.55 1.20 0.00 0.00 173.24 173.71 1wff s SER 84 N -2.93 -0.58 0.00 5.45 0.15 -1.26 -5.35 113.70 109.18 1wff s SER 84 Ca 0.13 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.80 1wff s SER 84 Cb -0.05 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.29 1wff s SER 84 CO 0.07 -0.27 0.47 0.61 1.20 0.00 0.00 173.24 175.32