#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 -0.08 0.01 1.61 1.04 -1.26 -5.19 113.70 109.83 1wff s SER 2 Ca 0.00 -0.36 -0.29 0.00 0.48 0.00 0.00 55.95 55.78 1wff s SER 2 Cb 0.00 0.35 0.10 0.00 0.10 0.00 0.00 66.02 66.57 1wff s SER 2 CO 0.00 -0.66 1.00 -0.94 0.98 0.00 0.00 173.24 173.62 1wff s SER 3 N -3.16 -0.25 0.00 7.02 1.04 -1.26 -5.18 113.70 111.92 1wff s SER 3 Ca 0.17 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1wff s SER 3 Cb 0.00 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1wff s SER 3 CO 0.01 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.24 1wff n GLY 4 N -0.31 4.40 3.48 7.32 0.00 -1.26 -5.18 105.19 113.64 1wff n GLY 4 Ca -0.07 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 1wff n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wff s SER 5 N 0.00 -0.53 -0.28 1.61 0.15 -1.26 -5.18 113.70 108.21 1wff s SER 5 Ca 0.00 0.23 -0.25 0.00 0.70 0.00 0.00 55.95 56.62 1wff s SER 5 Cb 0.00 0.51 0.13 0.00 -1.71 0.00 0.00 66.02 64.96 1wff s SER 5 CO 0.00 -0.75 1.10 -0.94 1.20 0.00 0.00 173.24 173.85 1wff s SER 6 N -2.13 -0.37 -0.12 5.45 1.04 -1.26 -5.18 113.70 111.12 1wff s SER 6 Ca -0.02 0.70 -0.30 0.00 0.48 0.00 0.00 55.95 56.81 1wff s SER 6 Cb -0.01 0.70 0.12 0.00 0.10 0.00 0.00 66.02 66.93 1wff s SER 6 CO -0.05 -0.14 0.96 -0.83 0.98 0.00 0.00 173.24 174.16 1wff s GLY 7 N 0.09 -0.33 -0.09 7.32 0.00 -1.26 -5.18 107.32 107.87 1wff s GLY 7 Ca 0.04 1.77 -0.15 0.00 0.00 0.00 0.00 44.72 46.37 1wff s GLY 7 CO -0.07 0.88 0.37 -0.26 0.00 0.00 0.00 173.10 174.02 1wff s ILE 8 N -1.55 0.02 -0.00 0.90 -0.00 -1.26 -5.17 121.20 114.14 1wff s ILE 8 Ca -0.01 -0.19 -0.04 0.00 -0.00 0.00 0.00 60.65 60.41 1wff s ILE 8 Cb -0.01 -0.60 -0.00 0.00 -0.00 0.00 0.00 42.46 41.85 1wff s ILE 8 CO -0.00 -0.11 0.08 -1.00 -0.00 0.00 0.00 174.94 173.91 1wff s HIS 9 N -0.50 0.06 -0.30 1.37 3.76 -1.26 -5.15 115.29 113.27 1wff s HIS 9 Ca -0.06 -0.14 -0.15 0.00 -0.15 0.00 0.00 55.06 54.57 1wff s HIS 9 Cb -0.04 -0.06 0.16 0.00 1.11 0.00 0.00 32.58 33.75 1wff s HIS 9 CO 0.03 -0.20 0.97 -3.38 -0.85 0.00 0.00 174.74 171.31 1wff s HIS 10 N -1.02 -0.72 -0.23 1.40 -3.43 -1.26 -5.15 115.29 104.88 1wff s HIS 10 Ca -0.11 1.25 -0.08 0.00 -0.80 0.00 0.00 55.06 55.31 1wff s HIS 10 Cb -0.06 0.43 -0.04 0.00 -1.43 0.00 0.00 32.58 31.48 1wff s HIS 10 CO 0.00 -0.36 0.10 -0.48 -2.00 0.00 0.00 174.74 172.01 1wff s LEU 11 N 2.47 3.77 0.74 5.38 0.05 -1.26 -5.09 118.68 124.74 1wff s LEU 11 Ca -0.03 -0.02 -0.12 0.00 0.05 0.00 0.00 54.13 54.01 1wff s LEU 11 Cb -0.06 -2.00 0.04 0.00 -2.05 0.00 0.00 46.19 42.12 1wff s LEU 11 CO -0.18 0.06 1.10 -2.16 -0.55 0.00 0.00 176.35 174.62 1wff s PRO 12 N 1.08 2.41 -0.85 1.48 0.04 -1.26 -4.91 135.00 132.99 1wff s PRO 12 Ca 0.05 1.23 -0.25 0.00 0.04 0.00 0.00 61.00 62.08 1wff s PRO 12 Cb -0.14 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1wff s PRO 12 CO 0.04 -1.54 1.93 -1.25 0.04 0.00 0.00 177.00 176.22 1wff s PRO 13 N -4.67 2.57 -0.44 0.56 0.04 -1.26 -4.91 135.00 126.89 1wff s PRO 13 Ca 0.63 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1wff s PRO 13 Cb -0.18 -4.95 0.12 0.00 0.04 0.00 0.00 34.50 29.53 1wff s PRO 13 CO 0.52 -3.26 0.20 0.08 0.04 0.00 0.00 177.00 174.58 1wff s VAL 14 N 9.88 2.97 -0.26 -0.36 1.01 -1.26 -5.05 120.40 127.33 1wff s VAL 14 Ca 0.69 -2.45 0.01 0.00 0.00 0.00 0.00 61.98 60.23 1wff s VAL 14 Cb -0.08 -3.06 0.07 0.00 0.00 0.00 0.00 36.38 33.32 1wff s VAL 14 CO 0.03 -0.71 -0.00 -0.75 0.00 0.00 0.00 175.10 173.67 1wff s LYS 15 N 0.69 1.34 -0.16 2.72 2.47 -1.26 -5.11 119.74 120.42 1wff s LYS 15 Ca 0.12 -1.08 -0.11 0.00 -1.56 0.00 0.00 55.97 53.34 1wff s LYS 15 Cb -0.22 -2.52 -0.05 0.00 -1.46 0.00 0.00 37.83 33.59 1wff s LYS 15 CO -0.05 -0.73 0.19 0.00 0.16 0.00 0.00 175.35 174.93 1wff s ALA 16 N 1.41 3.70 1.17 3.13 0.00 -1.26 -5.10 121.76 124.81 1wff s ALA 16 Ca -0.00 -0.59 -0.14 0.00 0.00 0.00 0.00 51.96 51.23 1wff s ALA 16 Cb -0.18 -2.20 0.21 0.00 0.00 0.00 0.00 23.12 20.94 1wff s ALA 16 CO -0.10 0.25 0.73 -0.35 0.00 0.00 0.00 175.76 176.29 1wff n PRO 17 N 3.14 -2.46 -4.37 0.00 -0.04 -1.26 -5.09 135.00 124.92 1wff n PRO 17 Ca -0.16 -1.17 -0.20 0.00 -0.04 0.00 0.00 63.50 61.93 1wff n PRO 17 Cb 0.53 -1.10 -0.10 0.00 -0.04 0.00 0.00 33.50 32.78 1wff n PRO 17 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1wff s LEU 18 N 0.00 2.55 0.20 1.53 0.05 -1.26 -5.16 118.68 116.60 1wff s LEU 18 Ca 0.48 -1.05 0.09 0.00 0.05 0.00 0.00 54.13 53.71 1wff s LEU 18 Cb -0.05 -0.73 -0.04 0.00 -2.05 0.00 0.00 46.19 43.32 1wff s LEU 18 CO 0.37 -0.16 -0.09 -1.10 -0.55 0.00 0.00 176.35 174.81 1wff s GLN 19 N -3.64 2.05 -0.29 1.48 -0.21 -1.26 -5.12 119.66 112.67 1wff s GLN 19 Ca 0.25 -1.34 -0.01 0.00 0.02 0.00 0.00 55.36 54.27 1wff s GLN 19 Cb -0.01 -2.12 0.09 0.00 1.00 0.00 0.00 33.01 31.98 1wff s GLN 19 CO 0.09 0.41 0.08 0.95 -2.12 0.00 0.00 175.29 174.70 1wff s THR 20 N -1.87 0.95 -0.21 -0.19 -4.23 -1.26 -5.10 115.64 103.73 1wff s THR 20 Ca 0.26 -1.34 -0.28 0.00 -1.18 0.00 0.00 61.69 59.14 1wff s THR 20 Cb -0.08 -1.66 0.13 0.00 1.34 0.00 0.00 72.50 72.23 1wff s THR 20 CO 0.16 -0.58 1.06 -1.59 -0.54 0.00 0.00 174.62 173.12 1wff s LYS 21 N 1.59 0.50 -0.20 3.99 -2.85 -1.26 -5.17 119.74 116.34 1wff s LYS 21 Ca 0.08 0.25 -0.10 0.00 -1.00 0.00 0.00 55.97 55.20 1wff s LYS 21 Cb -0.17 0.24 0.07 0.00 -2.06 0.00 0.00 37.83 35.91 1wff s LYS 21 CO -0.21 -0.13 0.47 0.15 0.10 0.00 0.00 175.35 175.72 1wff s LYS 22 N -0.68 0.43 -0.19 1.78 -0.14 -1.26 -5.14 119.74 114.54 1wff s LYS 22 Ca 0.01 0.95 0.01 0.00 -1.36 0.00 0.00 55.97 55.58 1wff s LYS 22 Cb -0.02 0.13 0.03 0.00 -1.68 0.00 0.00 37.83 36.28 1wff s LYS 22 CO -0.02 -0.18 -0.18 0.15 -0.76 0.00 0.00 175.35 174.35 1wff s LYS 23 N 1.80 2.83 -0.42 1.68 1.02 -1.26 -5.07 119.74 120.33 1wff s LYS 23 Ca -0.08 -0.87 -0.41 0.00 0.02 0.00 0.00 55.97 54.63 1wff s LYS 23 Cb -0.09 -2.57 -0.18 0.00 -0.52 0.00 0.00 37.83 34.47 1wff s LYS 23 CO -0.14 -0.26 1.39 -0.89 -0.92 0.00 0.00 175.35 174.53 1wff n ILE 24 N 4.61 0.00 -3.80 2.17 2.08 -1.26 -4.91 119.36 118.25 1wff n ILE 24 Ca -0.20 0.00 -0.30 0.00 0.56 0.00 0.00 62.75 62.81 1wff n ILE 24 Cb 0.49 -0.42 -0.15 0.00 -0.75 0.00 0.00 39.64 38.81 1wff n ILE 24 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1wff s MET 25 N 2.53 0.92 0.28 0.38 0.23 -1.26 -5.11 119.30 117.26 1wff s MET 25 Ca 0.92 -1.20 0.03 0.00 -1.03 0.00 0.00 55.69 54.41 1wff s MET 25 Cb -1.31 -2.27 -0.06 0.00 -1.53 0.00 0.00 34.83 29.66 1wff s MET 25 CO 0.71 -0.94 0.06 -1.59 -2.03 0.00 0.00 175.02 171.23 1wff s LYS 26 N 1.47 1.48 -0.00 3.16 0.00 -1.26 -5.17 119.74 119.42 1wff s LYS 26 Ca 0.09 -1.80 -0.29 0.00 0.00 0.00 0.00 55.97 53.96 1wff s LYS 26 Cb -0.18 -0.56 0.10 0.00 0.00 0.00 0.00 37.83 37.19 1wff s LYS 26 CO -0.20 -0.21 1.04 -3.38 0.00 0.00 0.00 175.35 172.60 1wff s HIS 27 N -3.51 -0.19 0.44 1.78 -3.43 -1.26 -3.90 115.29 105.21 1wff s HIS 27 Ca 0.35 0.04 -0.21 0.00 -0.80 0.00 0.00 55.06 54.44 1wff s HIS 27 Cb 0.08 0.56 -0.14 0.00 -1.43 0.00 0.00 32.58 31.65 1wff s HIS 27 CO 0.13 -0.51 0.18 0.00 -2.00 0.00 0.00 174.74 172.54 1wff n PHE 29 N -1.13 0.59 0.00 0.00 7.35 0.12 -3.14 117.46 121.24 1wff n PHE 29 Ca 0.11 0.20 0.00 0.00 -0.76 0.00 0.00 57.45 57.00 1wff n PHE 29 Cb 0.42 -1.02 0.00 0.00 0.35 0.00 0.00 39.48 39.23 1wff n PHE 29 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1wff n LEU 30 N -2.81 0.15 -0.10 -2.13 7.94 -1.26 -4.60 117.00 114.18 1wff n LEU 30 Ca -0.18 0.74 -0.23 0.00 -1.11 0.00 0.00 56.01 55.23 1wff n LEU 30 Cb 0.95 -0.44 -0.12 0.00 0.53 0.00 0.00 43.42 44.35 1wff n LEU 30 CO 0.44 -0.44 -0.78 0.00 -1.11 0.00 0.00 177.39 175.50 1wff n GLY 32 N 1.51 1.80 3.73 0.00 0.00 -1.19 -5.03 105.19 106.01 1wff n GLY 32 Ca -0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 4.15 -0.45 1.61 2.47 -1.26 -4.46 119.74 121.79 1wff s LYS 33 Ca 0.00 2.54 -0.28 0.00 -1.56 0.00 0.00 55.97 56.67 1wff s LYS 33 Cb 0.00 -3.07 -0.02 0.00 -1.46 0.00 0.00 37.83 33.28 1wff s LYS 33 CO 0.00 -0.66 1.86 0.15 0.16 0.00 0.00 175.35 176.86 1wff s LYS 34 N 0.37 2.99 0.34 4.03 -0.14 -1.26 -0.36 119.74 125.70 1wff s LYS 34 Ca 0.68 1.12 0.04 0.00 -1.36 0.00 0.00 55.97 56.45 1wff s LYS 34 Cb -0.47 -4.29 0.06 0.00 -1.68 0.00 0.00 37.83 31.44 1wff s LYS 34 CO 0.39 -2.28 0.47 0.25 -0.76 0.00 0.00 175.35 173.42 1wff n THR 35 N 7.38 0.00 -2.85 2.17 -2.24 -1.25 -4.96 114.28 112.52 1wff n THR 35 Ca 0.23 -1.03 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1wff n THR 35 Cb 0.49 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 1wff n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wff n GLY 36 N 1.02 2.29 0.36 3.38 0.00 -1.26 -4.76 105.19 106.22 1wff n GLY 36 Ca 0.09 -0.99 0.02 0.00 0.00 0.00 0.00 46.02 45.14 1wff n GLY 36 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wff n LEU 37 N 0.00 -0.51 -0.02 0.99 7.94 -1.26 0.49 117.00 124.64 1wff n LEU 37 Ca 0.00 1.65 -0.01 0.00 -1.11 0.00 0.00 56.01 56.54 1wff n LEU 37 Cb 0.00 -0.43 -0.00 0.00 0.53 0.00 0.00 43.42 43.52 1wff n LEU 37 CO 0.00 -1.53 -0.09 0.00 -1.11 0.00 0.00 177.39 174.66 1wff n ALA 38 N -3.56 0.12 -0.27 1.96 0.00 -1.26 -4.37 120.51 113.13 1wff n ALA 38 Ca 0.12 -0.21 0.22 0.00 0.00 0.00 0.00 53.44 53.58 1wff n ALA 38 Cb 0.42 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.29 1wff n ALA 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wff n THR 39 N -2.86 -0.35 -2.48 0.00 -1.04 -1.21 -4.23 114.28 102.10 1wff n THR 39 Ca -0.02 1.73 -0.41 0.00 -2.04 0.00 0.00 64.05 63.31 1wff n THR 39 Cb 0.07 -2.72 -0.04 0.00 -1.82 0.00 0.00 70.33 65.82 1wff n THR 39 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1wff s SER 40 N -4.72 7.24 0.38 8.00 0.15 0.18 -3.83 113.70 121.09 1wff s SER 40 Ca -0.08 2.16 0.04 0.00 0.70 0.00 0.00 55.95 58.76 1wff s SER 40 Cb 0.27 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.94 1wff s SER 40 CO 0.65 -0.22 0.12 -0.36 1.20 0.00 0.00 173.24 174.63 1wff s PHE 41 N -0.46 1.79 0.02 3.44 0.40 -1.23 -4.83 117.98 117.11 1wff s PHE 41 Ca 0.49 -1.23 0.08 0.00 -0.60 0.00 0.00 56.93 55.66 1wff s PHE 41 Cb -0.31 -1.14 -0.02 0.00 0.51 0.00 0.00 43.02 42.06 1wff s PHE 41 CO 0.37 -0.27 -0.23 -1.83 0.70 0.00 0.00 175.22 173.96 1wff s GLU 42 N -3.77 1.69 0.28 0.44 1.03 -1.26 -3.92 118.70 113.19 1wff s GLU 42 Ca 0.28 -0.93 0.10 0.00 0.03 0.00 0.00 54.97 54.45 1wff s GLU 42 Cb 0.04 -1.74 -0.05 0.00 -0.80 0.00 0.00 34.13 31.58 1wff s GLU 42 CO 0.15 0.46 -0.03 0.00 -1.33 0.00 0.00 175.26 174.52 1wff h ARG 44 N 1.92 0.21 0.03 0.00 2.47 -1.93 0.77 114.38 117.86 1wff h ARG 44 Ca -0.43 -0.01 -0.22 0.00 -1.26 0.00 0.00 59.98 58.05 1wff h ARG 44 Cb 1.25 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.52 1wff h ARG 44 CO 0.61 0.14 -0.98 0.00 0.56 0.00 0.00 179.97 180.30 1wff n GLY 46 N 1.05 2.70 3.50 0.00 0.00 0.27 -5.04 105.19 107.67 1wff n GLY 46 Ca -0.05 -0.97 -0.44 0.00 0.00 0.00 0.00 46.02 44.55 1wff n GLY 46 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wff n ASN 47 N 0.05 -0.03 -4.70 1.61 3.02 -1.26 -4.29 115.26 109.66 1wff n ASN 47 Ca 0.00 1.06 -0.39 0.00 -0.03 0.00 0.00 54.58 55.23 1wff n ASN 47 Cb 0.00 -1.16 -0.06 0.00 -0.61 0.00 0.00 39.78 37.95 1wff n ASN 47 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1wff s ASN 48 N -0.80 6.71 0.27 6.41 2.47 -1.26 -3.59 114.94 125.15 1wff s ASN 48 Ca 0.62 0.85 0.04 0.00 0.42 0.00 0.00 52.86 54.79 1wff s ASN 48 Cb -0.71 -2.31 -0.06 0.00 -1.45 0.00 0.00 41.25 36.72 1wff s ASN 48 CO 0.58 -0.08 -0.00 -0.36 -3.72 0.00 0.00 177.10 173.52 1wff s PHE 49 N 0.98 1.78 0.69 0.43 0.08 -1.25 0.15 117.98 120.83 1wff s PHE 49 Ca 0.28 -0.87 -0.11 0.00 0.12 0.00 0.00 56.93 56.35 1wff s PHE 49 Cb -0.16 -1.06 0.01 0.00 -0.57 0.00 0.00 43.02 41.24 1wff s PHE 49 CO 0.11 0.06 1.07 0.00 -0.10 0.00 0.00 175.22 176.36 1wff h ALA 51 N -0.64 2.45 0.09 0.00 0.00 -1.96 2.13 119.26 121.32 1wff h ALA 51 Ca -0.45 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.17 1wff h ALA 51 Cb 1.23 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1wff h ALA 51 CO 0.61 -1.02 -1.35 1.03 0.00 0.00 0.00 179.25 178.52 1wff h SER 52 N 0.00 0.28 -0.27 0.00 0.87 -1.94 -3.32 113.55 109.18 1wff h SER 52 Ca 0.31 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1wff h SER 52 Cb 1.67 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 1wff h SER 52 CO -0.00 1.29 0.00 1.41 -0.53 0.00 0.00 176.83 178.99 1wff n HIS 53 N -3.42 0.86 0.21 2.24 -0.00 0.20 -4.58 115.22 110.73 1wff n HIS 53 Ca -0.10 -0.83 0.06 0.00 -0.00 0.00 0.00 57.72 56.85 1wff n HIS 53 Cb 1.02 -0.27 0.48 0.00 -0.00 0.00 0.00 29.99 31.21 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 1.79 0.00 -6.40 -0.41 0.11 0.30 -3.41 114.38 106.37 1wff h ARG 54 Ca 0.00 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.54 1wff h ARG 54 Cb 1.34 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.39 1wff h ARG 54 CO 0.19 0.27 0.33 0.71 0.10 0.00 0.00 179.97 181.57 1wff s TYR 55 N -4.20 3.68 0.13 4.08 2.02 -1.26 -4.69 117.35 117.11 1wff s TYR 55 Ca -0.03 1.67 -0.28 0.00 -0.37 0.00 0.00 57.07 58.06 1wff s TYR 55 Cb 0.14 -3.07 -0.07 0.00 -0.40 0.00 0.00 41.96 38.56 1wff s TYR 55 CO 0.68 0.05 1.48 0.00 -1.57 0.00 0.00 175.55 176.19 1wff h ALA 56 N 6.54 -0.57 -1.02 3.71 0.00 -1.96 0.44 119.26 126.41 1wff h ALA 56 Ca -0.41 0.07 0.26 0.00 0.00 0.00 0.00 54.91 54.82 1wff h ALA 56 Cb 1.22 1.25 -0.12 0.00 0.00 0.00 0.00 17.79 20.14 1wff h ALA 56 CO 0.74 -0.90 0.61 1.05 0.00 0.00 0.00 179.25 180.75 1wff h GLU 57 N -0.12 0.51 -1.01 0.00 4.11 -1.93 0.35 114.58 116.49 1wff h GLU 57 Ca 0.12 -0.03 0.25 0.00 0.07 0.00 0.00 59.36 59.77 1wff h GLU 57 Cb 0.42 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.47 1wff h GLU 57 CO -0.73 0.34 0.66 0.00 0.07 0.00 0.00 179.01 179.35 1wff h ALA 58 N 1.72 2.24 -0.48 1.06 0.00 -0.43 -0.70 119.26 122.67 1wff h ALA 58 Ca 0.65 0.05 -0.35 0.00 0.00 0.00 0.00 54.91 55.25 1wff h ALA 58 Cb 1.32 0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.81 1wff h ALA 58 CO -0.45 -0.61 -0.77 -2.39 0.00 0.00 0.00 179.25 175.03 1wff n HIS 59 N -4.58 1.73 -4.06 0.00 1.44 0.11 -4.94 115.22 104.92 1wff n HIS 59 Ca 0.24 -1.94 -0.32 0.00 -2.01 0.00 0.00 57.72 53.69 1wff n HIS 59 Cb 0.84 -0.30 -0.05 0.00 0.12 0.00 0.00 29.99 30.60 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 -0.76 -0.32 3.32 -1.39 0.00 -0.27 -4.74 105.19 101.03 1wff n GLY 60 Ca 0.32 0.20 -0.43 0.00 0.00 0.00 0.00 46.02 46.11 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 2.23 1.99 -3.99 0.00 4.13 -1.26 -4.95 115.26 113.41 1wff n ASN 62 Ca 0.12 -0.01 -0.41 0.00 1.68 0.00 0.00 54.58 55.96 1wff n ASN 62 Cb 0.38 -0.51 -0.01 0.00 -1.54 0.00 0.00 39.78 38.10 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 -3.51 -1.44 -2.98 3.10 9.36 -1.26 -4.84 117.16 115.59 1wff n TYR 63 Ca -0.47 0.68 -0.44 0.00 3.32 0.00 0.00 57.90 60.99 1wff n TYR 63 Cb 0.95 -1.69 -0.04 0.00 -0.63 0.00 0.00 39.34 37.93 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 -0.92 6.20 0.43 2.98 2.15 -1.26 -4.97 116.67 121.28 1wff s ASP 64 Ca 0.56 -1.24 0.07 0.00 0.43 0.00 0.00 52.55 52.37 1wff s ASP 64 Cb -0.68 -2.36 -0.02 0.00 -0.30 0.00 0.00 42.92 39.56 1wff s ASP 64 CO 0.56 -1.28 0.37 -0.72 -0.17 0.00 0.00 175.17 173.93 1wff s TYR 65 N 3.36 2.57 -0.30 -5.34 -0.85 -1.26 -5.14 117.35 110.40 1wff s TYR 65 Ca 0.18 -0.54 -0.16 0.00 -0.52 0.00 0.00 57.07 56.03 1wff s TYR 65 Cb -0.20 -2.13 0.17 0.00 0.38 0.00 0.00 41.96 40.18 1wff s TYR 65 CO 0.08 -0.14 1.02 0.21 -1.52 0.00 0.00 175.55 175.20 1wff s LYS 66 N -4.13 0.28 -1.51 -3.49 2.20 -1.26 -4.95 119.74 106.87 1wff s LYS 66 Ca 0.46 0.63 -0.05 0.00 -0.36 0.00 0.00 55.97 56.65 1wff s LYS 66 Cb -0.02 0.30 0.02 0.00 -1.51 0.00 0.00 37.83 36.61 1wff s LYS 66 CO 0.27 -0.08 0.57 0.45 -0.36 0.00 0.00 175.35 176.19 1wff n SER 67 N 4.54 -5.68 -4.45 1.43 2.88 -1.26 -4.91 113.62 106.18 1wff n SER 67 Ca -0.11 -0.29 -0.44 0.00 -1.33 0.00 0.00 58.87 56.69 1wff n SER 67 Cb 0.54 -4.60 -0.02 0.00 -0.75 0.00 0.00 64.21 59.38 1wff n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wff s ALA 68 N -3.13 3.55 0.00 -1.46 0.00 -1.26 -4.86 121.76 114.60 1wff s ALA 68 Ca 0.31 -2.93 0.00 0.00 0.00 0.00 0.00 51.96 49.34 1wff s ALA 68 Cb -0.14 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 18.93 1wff s ALA 68 CO 0.38 -2.90 0.00 0.41 0.00 0.00 0.00 175.76 173.65 1wff n GLY 69 N 5.10 0.67 3.90 0.00 0.00 -1.26 -5.00 105.19 108.59 1wff n GLY 69 Ca 0.27 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 1wff n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wff s ARG 70 N 0.00 3.22 -0.57 1.61 0.52 -1.26 -4.99 118.95 117.48 1wff s ARG 70 Ca 0.00 0.32 0.01 0.00 -0.52 0.00 0.00 55.73 55.54 1wff s ARG 70 Cb 0.00 -2.20 0.50 0.00 0.52 0.00 0.00 34.95 33.77 1wff s ARG 70 CO 0.00 -0.62 1.90 0.54 0.02 0.00 0.00 175.30 177.15 1wff n ARG 71 N -2.63 2.65 -1.57 3.54 5.12 -1.26 -4.94 116.66 117.57 1wff n ARG 71 Ca 0.04 -3.31 -0.37 0.00 -1.93 0.00 0.00 57.85 52.28 1wff n ARG 71 Cb 0.56 -2.24 0.05 0.00 -1.16 0.00 0.00 32.46 29.67 1wff n ARG 71 CO 0.00 0.00 0.00 2.48 -1.93 0.00 0.00 177.63 178.18 1wff n TYR 72 N -0.96 0.49 -3.76 -1.55 4.11 -1.26 -4.97 117.16 109.27 1wff n TYR 72 Ca 0.59 0.43 -0.37 0.00 -0.00 0.00 0.00 57.90 58.55 1wff n TYR 72 Cb 0.92 -2.09 -0.12 0.00 -0.00 0.00 0.00 39.34 38.05 1wff n TYR 72 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.86 176.38 1wff s LEU 73 N -1.65 4.75 0.83 -3.48 2.34 -1.26 -5.10 118.68 115.11 1wff s LEU 73 Ca 0.75 -1.57 -0.12 0.00 0.06 0.00 0.00 54.13 53.25 1wff s LEU 73 Cb -0.41 -1.85 0.09 0.00 -0.56 0.00 0.00 46.19 43.46 1wff s LEU 73 CO 0.48 -0.44 1.10 -1.61 -1.06 0.00 0.00 176.35 174.82 1wff s GLU 74 N 1.28 1.85 0.33 1.48 0.41 -1.26 -5.01 118.70 117.78 1wff s GLU 74 Ca 0.02 0.61 -0.27 0.00 -0.41 0.00 0.00 54.97 54.92 1wff s GLU 74 Cb -0.22 -1.89 -0.09 0.00 -1.78 0.00 0.00 34.13 30.15 1wff s GLU 74 CO -0.01 -1.78 1.10 -2.00 -0.49 0.00 0.00 175.26 172.09 1wff s GLU 75 N -5.14 4.43 -0.23 1.61 2.56 -1.26 -4.96 118.70 115.70 1wff s GLU 75 Ca 0.61 1.75 -0.29 0.00 0.00 0.00 0.00 54.97 57.04 1wff s GLU 75 Cb -0.15 -2.95 -0.03 0.00 2.00 0.00 0.00 34.13 33.01 1wff s GLU 75 CO 0.54 0.03 1.62 0.00 -0.56 0.00 0.00 175.26 176.89 1wff s ALA 76 N -1.32 3.25 -0.37 6.30 0.00 -1.26 -4.97 121.76 123.39 1wff s ALA 76 Ca 0.50 0.45 -0.17 0.00 0.00 0.00 0.00 51.96 52.73 1wff s ALA 76 Cb -0.29 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 18.97 1wff s ALA 76 CO 0.38 -1.98 0.47 -0.80 0.00 0.00 0.00 175.76 173.83 1wff s ASN 77 N 4.29 6.26 -0.37 0.00 -0.87 -1.26 -5.03 114.94 117.96 1wff s ASN 77 Ca 0.71 -0.22 -0.28 0.00 -1.57 0.00 0.00 52.86 51.50 1wff s ASN 77 Cb -0.25 -2.25 -0.01 0.00 -0.02 0.00 0.00 41.25 38.73 1wff s ASN 77 CO 0.29 -0.48 1.71 -2.16 -2.57 0.00 0.00 177.10 173.89 1wff s PRO 78 N 2.28 3.35 -0.17 -0.60 0.04 -1.26 -4.98 135.00 133.67 1wff s PRO 78 Ca 0.16 1.26 -0.22 0.00 0.04 0.00 0.00 61.00 62.24 1wff s PRO 78 Cb -0.16 -4.17 -0.02 0.00 0.04 0.00 0.00 34.50 30.19 1wff s PRO 78 CO 0.13 -1.84 0.68 0.08 0.04 0.00 0.00 177.00 176.10 1wff s VAL 79 N 6.66 5.00 0.98 -0.36 1.01 -1.26 -5.03 120.40 127.40 1wff s VAL 79 Ca 0.74 1.33 -0.15 0.00 0.00 0.00 0.00 61.98 63.90 1wff s VAL 79 Cb -0.20 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1wff s VAL 79 CO 0.33 0.12 -0.22 -1.20 0.00 0.00 0.00 175.10 174.12 1wff n SER 80 N 4.84 -3.90 0.00 3.32 7.64 -1.26 -4.32 113.62 119.94 1wff n SER 80 Ca -0.00 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1wff n SER 80 Cb 0.50 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1wff n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wff n GLY 81 N 2.48 1.07 3.55 0.23 0.00 -1.26 -4.88 105.19 106.38 1wff n GLY 81 Ca 0.02 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 2.64 0.31 1.61 0.04 -1.26 -4.94 135.00 133.40 1wff s PRO 82 Ca 0.00 0.63 0.04 0.00 0.04 0.00 0.00 61.00 61.71 1wff s PRO 82 Cb 0.00 -4.38 -0.03 0.00 0.04 0.00 0.00 34.50 30.12 1wff s PRO 82 CO 0.00 -2.72 0.19 -1.12 0.04 0.00 0.00 177.00 173.39 1wff s SER 83 N 8.07 1.50 0.20 6.66 0.01 -1.26 -4.88 113.70 124.00 1wff s SER 83 Ca 0.68 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 56.34 1wff s SER 83 Cb -0.13 0.44 -0.05 0.00 0.21 0.00 0.00 66.02 66.50 1wff s SER 83 CO 0.21 -0.94 0.08 -0.55 0.41 0.00 0.00 173.24 172.46 1wff s SER 84 N -3.36 0.74 0.00 2.44 0.15 -1.26 -5.24 113.70 107.17 1wff s SER 84 Ca 0.37 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 55.70 1wff s SER 84 Cb 0.04 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1wff s SER 84 CO 0.19 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.51