#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 -0.27 0.01 1.61 0.15 -1.26 -5.19 113.70 108.75 1wff s SER 2 Ca 0.00 0.46 -0.29 0.00 0.70 0.00 0.00 55.95 56.81 1wff s SER 2 Cb 0.00 0.44 0.11 0.00 -1.71 0.00 0.00 66.02 64.86 1wff s SER 2 CO 0.00 -0.14 1.23 -0.94 1.20 0.00 0.00 173.24 174.59 1wff s SER 3 N -0.28 -0.07 0.00 5.45 1.04 -1.26 -5.16 113.70 113.42 1wff s SER 3 Ca 0.04 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1wff s SER 3 Cb -0.03 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1wff s SER 3 CO -0.07 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1wff n GLY 4 N -0.53 2.41 3.60 7.32 0.00 -1.26 -5.18 105.19 111.55 1wff n GLY 4 Ca -0.07 0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 1wff n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wff s SER 5 N 0.00 -0.72 0.02 1.61 0.01 -1.26 -5.18 113.70 108.18 1wff s SER 5 Ca 0.00 1.40 -0.29 0.00 1.31 0.00 0.00 55.95 58.37 1wff s SER 5 Cb 0.00 1.42 0.11 0.00 0.21 0.00 0.00 66.02 67.75 1wff s SER 5 CO 0.00 -0.24 1.23 -0.94 0.41 0.00 0.00 173.24 173.70 1wff s SER 6 N 0.37 -0.06 0.00 2.44 1.04 -1.26 -5.14 113.70 111.09 1wff s SER 6 Ca -0.00 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1wff s SER 6 Cb -0.05 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1wff s SER 6 CO 0.01 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1wff n GLY 7 N -0.57 1.76 3.63 7.32 0.00 -1.26 -5.17 105.19 110.90 1wff n GLY 7 Ca -0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.55 1wff n GLY 7 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wff s ILE 8 N 0.00 -0.95 -0.30 -0.61 2.07 -1.26 -5.14 121.20 115.01 1wff s ILE 8 Ca 0.00 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.14 1wff s ILE 8 Cb 0.00 -1.00 0.17 0.00 0.13 0.00 0.00 42.46 41.76 1wff s ILE 8 CO 0.00 0.00 0.87 -2.28 -1.91 0.00 0.00 174.94 171.62 1wff s HIS 9 N 2.85 -0.94 -0.25 3.50 2.46 -1.26 -5.17 115.29 116.48 1wff s HIS 9 Ca -0.06 1.23 -0.27 0.00 0.47 0.00 0.00 55.06 56.43 1wff s HIS 9 Cb -0.11 0.42 0.15 0.00 -0.13 0.00 0.00 32.58 32.90 1wff s HIS 9 CO -0.19 -0.50 1.18 -3.38 -2.47 0.00 0.00 174.74 169.38 1wff s HIS 10 N 2.77 -0.26 -0.20 3.88 -3.43 -1.26 -5.18 115.29 111.62 1wff s HIS 10 Ca 0.04 0.55 -0.14 0.00 -0.80 0.00 0.00 55.06 54.71 1wff s HIS 10 Cb -0.10 0.44 0.06 0.00 -1.43 0.00 0.00 32.58 31.55 1wff s HIS 10 CO -0.16 -0.18 0.50 -0.48 -2.00 0.00 0.00 174.74 172.42 1wff s LEU 11 N -0.47 -0.18 -0.03 5.38 0.05 -1.26 -5.14 118.68 117.03 1wff s LEU 11 Ca 0.04 1.06 -0.30 0.00 0.05 0.00 0.00 54.13 54.98 1wff s LEU 11 Cb -0.03 1.70 -0.05 0.00 -2.05 0.00 0.00 46.19 45.76 1wff s LEU 11 CO -0.06 -0.19 1.47 -2.16 -0.55 0.00 0.00 176.35 174.85 1wff s PRO 12 N 0.98 4.25 0.10 1.48 0.04 -1.26 -4.98 135.00 135.61 1wff s PRO 12 Ca -0.06 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 62.69 1wff s PRO 12 Cb -0.06 -3.69 -0.08 0.00 0.04 0.00 0.00 34.50 30.72 1wff s PRO 12 CO -0.08 -0.67 1.37 -1.25 0.04 0.00 0.00 177.00 176.41 1wff s PRO 13 N 2.92 4.33 -0.90 0.56 0.04 -1.26 -4.98 135.00 135.71 1wff s PRO 13 Ca 0.66 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 63.65 1wff s PRO 13 Cb -0.31 -3.28 0.23 0.00 0.04 0.00 0.00 34.50 31.18 1wff s PRO 13 CO 0.26 -0.42 0.83 0.08 0.04 0.00 0.00 177.00 177.79 1wff s VAL 14 N 1.17 5.20 -0.30 -0.36 1.01 -1.26 -4.92 120.40 120.94 1wff s VAL 14 Ca 0.64 -3.14 -0.11 0.00 0.00 0.00 0.00 61.98 59.37 1wff s VAL 14 Cb -0.36 -4.20 0.18 0.00 0.00 0.00 0.00 36.38 32.01 1wff s VAL 14 CO 0.30 -1.07 1.01 -0.75 0.00 0.00 0.00 175.10 174.59 1wff s LYS 15 N -0.64 0.21 -0.30 2.72 2.20 -1.26 -5.15 119.74 117.52 1wff s LYS 15 Ca 0.24 0.31 -0.11 0.00 -0.36 0.00 0.00 55.97 56.05 1wff s LYS 15 Cb -0.11 0.17 0.16 0.00 -1.51 0.00 0.00 37.83 36.53 1wff s LYS 15 CO -0.08 -0.28 0.82 0.00 -0.36 0.00 0.00 175.35 175.45 1wff s ALA 16 N 2.95 -2.47 -0.16 3.13 0.00 -1.26 -5.13 121.76 118.81 1wff s ALA 16 Ca 0.08 2.09 -0.29 0.00 0.00 0.00 0.00 51.96 53.84 1wff s ALA 16 Cb -0.08 -2.00 -0.03 0.00 0.00 0.00 0.00 23.12 21.00 1wff s ALA 16 CO -0.15 -1.03 1.57 -1.25 0.00 0.00 0.00 175.76 174.90 1wff s PRO 17 N 2.70 3.98 -0.08 0.00 0.04 -1.26 -5.01 135.00 135.38 1wff s PRO 17 Ca -0.01 1.82 0.02 0.00 0.04 0.00 0.00 61.00 62.87 1wff s PRO 17 Cb -0.10 -3.98 -0.03 0.00 0.04 0.00 0.00 34.50 30.44 1wff s PRO 17 CO -0.18 -1.06 -0.11 -0.48 0.04 0.00 0.00 177.00 175.21 1wff s LEU 18 N 4.57 2.89 0.24 -3.56 0.05 -1.26 -5.12 118.68 116.49 1wff s LEU 18 Ca 0.69 -0.16 -0.05 0.00 0.05 0.00 0.00 54.13 54.66 1wff s LEU 18 Cb -0.27 -1.62 -0.02 0.00 -2.05 0.00 0.00 46.19 42.23 1wff s LEU 18 CO 0.27 0.31 0.30 -1.10 -0.55 0.00 0.00 176.35 175.57 1wff s GLN 19 N -0.50 1.42 -0.26 1.48 -0.21 -1.26 -5.15 119.66 115.19 1wff s GLN 19 Ca 0.07 -1.52 -0.01 0.00 0.02 0.00 0.00 55.36 53.92 1wff s GLN 19 Cb -0.12 0.36 0.08 0.00 1.00 0.00 0.00 33.01 34.33 1wff s GLN 19 CO 0.02 -0.53 0.05 0.95 -2.12 0.00 0.00 175.29 173.66 1wff s THR 20 N -3.98 0.90 -0.18 -0.19 -4.23 -1.26 -5.09 115.64 101.61 1wff s THR 20 Ca 0.32 -1.11 -0.05 0.00 -1.18 0.00 0.00 61.69 59.67 1wff s THR 20 Cb 0.03 -1.50 0.09 0.00 1.34 0.00 0.00 72.50 72.46 1wff s THR 20 CO 0.12 -0.42 0.33 -0.75 -0.54 0.00 0.00 174.62 173.36 1wff s LYS 21 N 1.64 0.24 0.15 3.99 2.47 -1.26 -5.13 119.74 121.85 1wff s LYS 21 Ca 0.04 0.76 -0.31 0.00 -1.56 0.00 0.00 55.97 54.90 1wff s LYS 21 Cb -0.17 -0.08 -0.10 0.00 -1.46 0.00 0.00 37.83 36.02 1wff s LYS 21 CO -0.16 -0.37 1.52 -1.59 0.16 0.00 0.00 175.35 174.92 1wff s LYS 22 N 2.50 4.24 -0.30 4.03 -2.85 -1.26 -4.93 119.74 121.17 1wff s LYS 22 Ca 0.03 2.29 0.08 0.00 -1.00 0.00 0.00 55.97 57.37 1wff s LYS 22 Cb -0.13 -3.18 0.46 0.00 -2.06 0.00 0.00 37.83 32.93 1wff s LYS 22 CO -0.11 -0.56 1.17 1.63 0.10 0.00 0.00 175.35 177.58 1wff n LYS 23 N 3.93 3.39 -3.07 1.78 5.02 -1.26 -5.04 118.16 122.92 1wff n LYS 23 Ca 0.13 -4.13 -0.40 0.00 -2.02 0.00 0.00 58.31 51.89 1wff n LYS 23 Cb 0.39 -2.20 -0.05 0.00 -0.02 0.00 0.00 35.03 33.15 1wff n LYS 23 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1wff s ILE 24 N -4.60 4.99 -0.14 -0.18 -1.09 -1.26 -5.04 121.20 113.87 1wff s ILE 24 Ca 0.48 1.29 -0.01 0.00 -2.23 0.00 0.00 60.65 60.18 1wff s ILE 24 Cb 0.40 -3.99 0.04 0.00 -1.58 0.00 0.00 42.46 37.33 1wff s ILE 24 CO 0.01 0.10 -0.05 -0.32 -1.23 0.00 0.00 174.94 173.45 1wff s MET 25 N 1.92 1.35 0.36 2.79 1.75 -1.26 -4.98 119.30 121.22 1wff s MET 25 Ca 0.31 -0.36 -0.12 0.00 -1.25 0.00 0.00 55.69 54.26 1wff s MET 25 Cb -0.16 -1.77 -0.08 0.00 2.84 0.00 0.00 34.83 35.66 1wff s MET 25 CO 0.11 -0.38 0.74 0.15 -0.65 0.00 0.00 175.02 174.99 1wff s LYS 26 N 1.70 3.88 -0.10 4.11 1.02 -1.26 -4.98 119.74 124.12 1wff s LYS 26 Ca 0.02 0.54 -0.14 0.00 0.02 0.00 0.00 55.97 56.42 1wff s LYS 26 Cb -0.14 -2.43 0.03 0.00 -0.52 0.00 0.00 37.83 34.78 1wff s LYS 26 CO -0.08 0.08 0.36 -3.38 -0.92 0.00 0.00 175.35 171.41 1wff s HIS 27 N -2.16 -0.34 0.52 3.18 -3.43 -1.26 -2.07 115.29 109.73 1wff s HIS 27 Ca 0.52 0.76 -0.19 0.00 -0.80 0.00 0.00 55.06 55.35 1wff s HIS 27 Cb -0.10 0.13 -0.12 0.00 -1.43 0.00 0.00 32.58 31.06 1wff s HIS 27 CO 0.24 -0.27 0.30 0.00 -2.00 0.00 0.00 174.74 173.01 1wff n PHE 29 N -1.48 0.17 0.02 0.00 7.35 0.18 -2.95 117.46 120.75 1wff n PHE 29 Ca 0.10 0.06 -0.03 0.00 -0.76 0.00 0.00 57.45 56.82 1wff n PHE 29 Cb 0.46 -0.80 -0.01 0.00 0.35 0.00 0.00 39.48 39.47 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 -0.14 0.05 -2.13 5.85 -1.91 -3.41 115.31 113.62 1wff h LEU 30 Ca -0.25 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.23 1wff h LEU 30 Cb 1.60 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.65 1wff h LEU 30 CO 0.02 0.33 -1.32 0.00 -0.34 0.00 0.00 178.44 177.13 1wff n GLY 32 N 1.61 1.74 3.91 0.00 0.00 -1.15 -5.04 105.19 106.25 1wff n GLY 32 Ca -0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.67 3.53 0.27 1.61 2.20 -1.26 -4.75 119.74 120.67 1wff s LYS 33 Ca 0.00 -0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 55.04 1wff s LYS 33 Cb 0.00 -2.92 -0.10 0.00 -1.51 0.00 0.00 37.83 33.30 1wff s LYS 33 CO 0.00 0.51 1.37 -1.59 -0.36 0.00 0.00 175.35 175.28 1wff s LYS 34 N -2.74 4.31 0.03 4.03 -2.85 -1.26 -0.54 119.74 120.72 1wff s LYS 34 Ca 0.38 2.24 -0.04 0.00 -1.00 0.00 0.00 55.97 57.55 1wff s LYS 34 Cb -0.12 -3.11 -0.01 0.00 -2.06 0.00 0.00 37.83 32.53 1wff s LYS 34 CO 0.27 -0.31 -0.08 0.25 0.10 0.00 0.00 175.35 175.57 1wff n THR 35 N 1.80 1.21 0.00 3.79 -2.24 -0.88 -4.86 114.28 113.11 1wff n THR 35 Ca 0.04 0.31 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 1wff n THR 35 Cb 0.41 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 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 3.00 0.30 0.39 3.38 0.00 -1.18 -4.42 105.19 106.66 1wff n GLY 36 Ca -0.04 -1.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.11 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 1.47 0.04 0.99 0.00 -1.26 -3.99 117.00 114.25 1wff n LEU 37 Ca 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 56.01 56.19 1wff n LEU 37 Cb 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 43.42 42.86 1wff n LEU 37 CO 0.00 0.43 0.21 0.00 0.00 0.00 0.00 177.39 178.03 1wff h ALA 38 N -0.60 -0.45 -0.87 1.96 0.00 -2.03 -3.34 119.26 113.93 1wff h ALA 38 Ca -0.47 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.56 1wff h ALA 38 Cb 1.43 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 19.12 1wff h ALA 38 CO -0.26 -0.44 -0.35 1.15 0.00 0.00 0.00 179.25 179.34 1wff h THR 39 N -0.24 0.06 -0.01 0.00 2.02 -1.88 -3.40 112.91 109.46 1wff h THR 39 Ca -0.01 0.00 -0.63 0.00 0.77 0.00 0.00 66.41 66.54 1wff h THR 39 Cb 0.09 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.53 1wff h THR 39 CO 0.02 0.00 1.06 -1.54 0.37 0.00 0.00 175.52 175.43 1wff n SER 40 N -5.48 0.61 -4.54 4.18 3.41 -1.26 -4.70 113.62 105.85 1wff n SER 40 Ca 0.09 0.56 -0.29 0.00 -0.26 0.00 0.00 58.87 58.97 1wff n SER 40 Cb 0.40 -0.73 -0.10 0.00 -0.26 0.00 0.00 64.21 63.51 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 4.82 2.63 -0.17 7.33 0.08 -1.23 -4.97 117.98 126.47 1wff s PHE 41 Ca 0.97 -0.21 -0.04 0.00 0.12 0.00 0.00 56.93 57.77 1wff s PHE 41 Cb -1.22 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 39.85 1wff s PHE 41 CO 0.54 0.43 -0.03 -2.00 -0.10 0.00 0.00 175.22 174.06 1wff s GLU 42 N -2.35 3.64 0.39 0.44 2.56 -1.26 -3.24 118.70 118.88 1wff s GLU 42 Ca 0.21 -0.53 0.02 0.00 0.00 0.00 0.00 54.97 54.67 1wff s GLU 42 Cb -0.10 -2.95 -0.01 0.00 2.00 0.00 0.00 34.13 33.07 1wff s GLU 42 CO 0.13 0.17 0.57 0.00 -0.56 0.00 0.00 175.26 175.57 1wff h ARG 44 N 0.65 0.41 -0.43 0.00 3.08 -1.94 0.21 114.38 116.36 1wff h ARG 44 Ca -0.47 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.41 1wff h ARG 44 Cb 1.25 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1wff h ARG 44 CO 0.57 0.27 -0.28 0.00 -1.07 0.00 0.00 179.97 179.46 1wff n GLY 46 N -0.04 1.78 3.47 0.00 0.00 0.74 -5.04 105.19 106.11 1wff n GLY 46 Ca -0.01 0.00 -0.34 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 4.64 -0.23 1.61 0.01 -1.26 -4.88 114.94 112.83 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 -1.75 -0.01 0.00 0.41 0.00 0.00 41.25 39.90 1wff s ASN 47 CO 0.00 0.17 1.35 0.21 -1.51 0.00 0.00 177.10 177.32 1wff s ASN 48 N 0.36 6.73 0.34 -1.22 2.47 -1.26 -3.67 114.94 118.69 1wff s ASN 48 Ca -0.05 1.50 0.06 0.00 0.42 0.00 0.00 52.86 54.78 1wff s ASN 48 Cb -0.15 -2.54 -0.07 0.00 -1.45 0.00 0.00 41.25 37.05 1wff s ASN 48 CO 0.03 -0.98 -0.00 -0.36 -3.72 0.00 0.00 177.10 172.07 1wff s PHE 49 N 4.15 2.18 0.80 0.43 0.08 -1.20 0.47 117.98 124.89 1wff s PHE 49 Ca 0.59 -0.75 -0.11 0.00 0.12 0.00 0.00 56.93 56.78 1wff s PHE 49 Cb -0.21 -1.40 0.10 0.00 -0.57 0.00 0.00 43.02 40.94 1wff s PHE 49 CO 0.21 0.28 1.15 0.00 -0.10 0.00 0.00 175.22 176.76 1wff h ALA 51 N -1.00 2.15 -0.01 0.00 0.00 -1.97 2.07 119.26 120.50 1wff h ALA 51 Ca -0.45 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.22 1wff h ALA 51 Cb 1.31 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.06 1wff h ALA 51 CO 0.59 -0.28 -0.94 1.03 0.00 0.00 0.00 179.25 179.65 1wff h SER 52 N 0.25 0.60 -0.32 0.00 0.87 -2.00 -3.27 113.55 109.69 1wff h SER 52 Ca 0.25 -0.47 -0.11 0.00 -1.23 0.00 0.00 61.79 60.22 1wff h SER 52 Cb 0.63 -0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 62.34 1wff h SER 52 CO -0.05 1.27 -0.03 1.41 -0.53 0.00 0.00 176.83 178.90 1wff n HIS 53 N -3.77 1.03 0.10 2.24 -0.00 -0.36 -4.61 115.22 109.86 1wff n HIS 53 Ca -0.07 -1.31 -0.03 0.00 -0.00 0.00 0.00 57.72 56.30 1wff n HIS 53 Cb 0.83 -0.42 0.15 0.00 -0.00 0.00 0.00 29.99 30.55 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 1.25 0.16 -7.19 -0.41 0.11 0.32 -3.39 114.38 105.23 1wff h ARG 54 Ca 0.14 -0.11 -0.48 0.00 0.10 0.00 0.00 59.98 59.63 1wff h ARG 54 Cb 1.58 0.01 0.04 0.00 1.11 0.00 0.00 29.97 32.72 1wff h ARG 54 CO 0.33 0.70 0.38 0.71 0.10 0.00 0.00 179.97 182.19 1wff s TYR 55 N -3.75 3.19 0.03 4.08 1.51 -1.26 -4.70 117.35 116.44 1wff s TYR 55 Ca -0.03 1.50 -0.26 0.00 -1.01 0.00 0.00 57.07 57.26 1wff s TYR 55 Cb 0.12 -2.92 -0.17 0.00 -0.11 0.00 0.00 41.96 38.89 1wff s TYR 55 CO 0.78 -0.78 1.38 0.00 -1.11 0.00 0.00 175.55 175.82 1wff h ALA 56 N 0.69 -0.45 -0.89 3.71 0.00 -1.96 -3.09 119.26 117.28 1wff h ALA 56 Ca -0.47 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.39 1wff h ALA 56 Cb 1.20 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.09 1wff h ALA 56 CO 0.59 -0.63 0.52 1.05 0.00 0.00 0.00 179.25 180.77 1wff h GLU 57 N -0.68 0.79 -0.94 0.00 4.11 -1.93 0.26 114.58 116.18 1wff h GLU 57 Ca -0.05 -0.05 0.21 0.00 0.07 0.00 0.00 59.36 59.55 1wff h GLU 57 Cb 0.48 -0.18 -0.12 0.00 0.50 0.00 0.00 28.75 29.43 1wff h GLU 57 CO 0.08 0.52 0.50 0.00 0.07 0.00 0.00 179.01 180.17 1wff h ALA 58 N 1.51 1.56 -0.49 1.06 0.00 -1.88 0.12 119.26 121.14 1wff h ALA 58 Ca 0.45 0.13 -0.30 0.00 0.00 0.00 0.00 54.91 55.18 1wff h ALA 58 Cb 0.47 0.05 -0.19 0.00 0.00 0.00 0.00 17.79 18.12 1wff h ALA 58 CO -0.28 -0.24 -0.18 -2.39 0.00 0.00 0.00 179.25 176.16 1wff n HIS 59 N -4.93 1.61 -4.02 0.00 1.44 -0.43 -4.97 115.22 103.93 1wff n HIS 59 Ca 0.23 -1.90 -0.33 0.00 -2.01 0.00 0.00 57.72 53.71 1wff n HIS 59 Cb 0.64 -0.55 -0.03 0.00 0.12 0.00 0.00 29.99 30.18 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 -1.01 -0.42 3.32 -1.39 0.00 0.03 -4.71 105.19 101.01 1wff n GLY 60 Ca 0.38 0.21 -0.47 0.00 0.00 0.00 0.00 46.02 46.15 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 1.96 2.02 -3.66 0.00 6.94 -1.26 -4.97 115.26 116.29 1wff n ASN 62 Ca 0.17 0.03 -0.34 0.00 -0.02 0.00 0.00 54.58 54.43 1wff n ASN 62 Cb 0.25 -0.60 0.01 0.00 -2.36 0.00 0.00 39.78 37.07 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 -3.45 -2.51 -3.21 -2.53 9.36 -1.26 -4.86 117.16 108.71 1wff n TYR 63 Ca -0.42 0.39 -0.43 0.00 3.32 0.00 0.00 57.90 60.76 1wff n TYR 63 Cb 0.99 -1.45 -0.07 0.00 -0.63 0.00 0.00 39.34 38.18 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 -0.86 6.23 -0.44 2.98 -1.08 -1.26 -4.93 116.67 117.31 1wff s ASP 64 Ca 0.49 -0.80 0.05 0.00 -0.52 0.00 0.00 52.55 51.77 1wff s ASP 64 Cb -0.43 -2.27 0.43 0.00 -1.46 0.00 0.00 42.92 39.19 1wff s ASP 64 CO 0.57 -0.78 1.30 0.00 0.52 0.00 0.00 175.17 176.78 1wff n TYR 65 N 5.97 3.11 -0.13 -5.34 0.18 -1.26 -4.71 117.16 114.98 1wff n TYR 65 Ca -0.06 -2.70 -0.28 0.00 1.88 0.00 0.00 57.90 56.74 1wff n TYR 65 Cb 0.46 -0.39 -0.10 0.00 -0.38 0.00 0.00 39.34 38.93 1wff n TYR 65 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1wff n LYS 66 N -0.61 0.60 -0.04 -3.48 4.01 -1.26 -4.43 118.16 112.95 1wff n LYS 66 Ca 0.44 0.29 -0.13 0.00 -0.51 0.00 0.00 58.31 58.39 1wff n LYS 66 Cb 0.74 -1.53 -0.09 0.00 -0.51 0.00 0.00 35.03 33.64 1wff n LYS 66 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1wff h SER 67 N -0.89 0.24 -0.92 4.39 4.64 -1.90 -3.26 113.55 115.84 1wff h SER 67 Ca -0.65 -0.55 0.18 0.00 -0.47 0.00 0.00 61.79 60.30 1wff h SER 67 Cb 1.62 -0.07 -0.17 0.00 -0.31 0.00 0.00 62.40 63.47 1wff h SER 67 CO -0.37 0.74 -0.26 0.00 -0.87 0.00 0.00 176.83 176.08 1wff n ALA 68 N -2.42 0.15 -3.00 5.18 0.00 -1.26 -4.67 120.51 114.48 1wff n ALA 68 Ca -0.08 0.99 0.00 0.00 0.00 0.00 0.00 53.44 54.36 1wff n ALA 68 Cb 0.36 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.55 6.58 3.89 0.00 0.00 -1.23 -5.16 105.19 107.73 1wff n GLY 69 Ca 0.14 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 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 1.29 0.45 -0.36 1.61 1.04 -1.26 -4.82 118.95 116.89 1wff s ARG 70 Ca 0.00 -0.35 0.01 0.00 -1.04 0.00 0.00 55.73 54.35 1wff s ARG 70 Cb 0.00 -1.82 0.11 0.00 -2.04 0.00 0.00 34.95 31.20 1wff s ARG 70 CO 0.00 -2.55 0.14 1.03 -0.04 0.00 0.00 175.30 173.88 1wff s ARG 71 N -5.82 1.06 -0.17 3.89 0.52 -1.26 -4.84 118.95 112.32 1wff s ARG 71 Ca 0.73 -1.55 -0.12 0.00 -0.52 0.00 0.00 55.73 54.27 1wff s ARG 71 Cb -0.05 -2.33 -0.22 0.00 0.52 0.00 0.00 34.95 32.87 1wff s ARG 71 CO 0.53 -1.04 0.23 0.98 0.02 0.00 0.00 175.30 176.03 1wff n TYR 72 N 4.27 1.03 -2.44 -0.53 4.19 -1.26 -4.87 117.16 117.56 1wff n TYR 72 Ca 0.03 0.30 -0.42 0.00 3.31 0.00 0.00 57.90 61.12 1wff n TYR 72 Cb 0.39 -1.12 -0.03 0.00 0.49 0.00 0.00 39.34 39.07 1wff n TYR 72 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1wff s LEU 73 N -7.36 4.27 -0.06 2.98 1.02 -1.26 -5.03 118.68 113.25 1wff s LEU 73 Ca -0.27 1.83 0.04 0.00 0.02 0.00 0.00 54.13 55.75 1wff s LEU 73 Cb 0.07 -3.56 -0.02 0.00 0.02 0.00 0.00 46.19 42.70 1wff s LEU 73 CO 0.68 -0.61 -0.16 -1.61 0.02 0.00 0.00 176.35 174.67 1wff s GLU 74 N 2.32 2.56 -0.25 1.70 2.02 -1.26 -5.11 118.70 120.67 1wff s GLU 74 Ca 0.56 -0.73 -0.10 0.00 0.02 0.00 0.00 54.97 54.73 1wff s GLU 74 Cb -0.25 -2.36 -0.05 0.00 0.10 0.00 0.00 34.13 31.57 1wff s GLU 74 CO 0.22 0.57 0.14 -1.83 0.02 0.00 0.00 175.26 174.38 1wff s GLU 75 N -0.58 3.95 -0.03 1.61 1.03 -1.26 -5.08 118.70 118.33 1wff s GLU 75 Ca 0.08 -0.33 0.03 0.00 0.03 0.00 0.00 54.97 54.78 1wff s GLU 75 Cb -0.11 -3.50 -0.00 0.00 -0.80 0.00 0.00 34.13 29.71 1wff s GLU 75 CO 0.01 -0.04 -0.12 0.00 -1.33 0.00 0.00 175.26 173.78 1wff s ALA 76 N 1.31 1.12 -0.32 -0.84 0.00 -1.26 -5.08 121.76 116.69 1wff s ALA 76 Ca 0.07 -0.48 -0.33 0.00 0.00 0.00 0.00 51.96 51.22 1wff s ALA 76 Cb -0.14 -0.38 -0.09 0.00 0.00 0.00 0.00 23.12 22.50 1wff s ALA 76 CO 0.06 0.20 2.22 0.09 0.00 0.00 0.00 175.76 178.33 1wff n ASN 77 N 3.18 2.48 -3.30 0.00 3.02 -1.26 -4.94 115.26 114.44 1wff n ASN 77 Ca -0.18 0.31 -0.23 0.00 -0.03 0.00 0.00 54.58 54.46 1wff n ASN 77 Cb 0.54 -1.37 0.19 0.00 -0.61 0.00 0.00 39.78 38.53 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 8.42 -2.64 -4.49 3.52 -0.04 -1.26 -5.09 135.00 133.42 1wff n PRO 78 Ca 0.38 -1.32 -0.23 0.00 -0.04 0.00 0.00 63.50 62.28 1wff n PRO 78 Cb 0.31 -1.24 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.50 1.66 -0.02 0.52 -7.23 -1.26 -5.16 120.40 106.42 1wff s VAL 79 Ca 0.54 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 1wff s VAL 79 Cb -0.05 -2.67 0.01 0.00 0.56 0.00 0.00 36.38 34.23 1wff s VAL 79 CO 0.41 -0.15 -0.02 -0.94 -0.31 0.00 0.00 175.10 174.09 1wff s SER 80 N -3.53 0.41 0.00 4.85 1.04 -1.26 -5.11 113.70 110.10 1wff s SER 80 Ca 0.33 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1wff s SER 80 Cb 0.06 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1wff s SER 80 CO 0.15 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1wff n GLY 81 N 3.59 1.55 3.67 7.32 0.00 -1.26 -4.84 105.19 115.21 1wff n GLY 81 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 4.21 0.11 1.61 0.04 -1.26 -4.96 135.00 134.76 1wff s PRO 82 Ca 0.00 2.01 -0.25 0.00 0.04 0.00 0.00 61.00 62.80 1wff s PRO 82 Cb 0.00 -3.83 0.08 0.00 0.04 0.00 0.00 34.50 30.79 1wff s PRO 82 CO 0.00 -0.75 1.10 -1.54 0.04 0.00 0.00 177.00 175.84 1wff s SER 83 N 2.67 -0.05 0.03 6.66 1.04 -1.26 -5.13 113.70 117.65 1wff s SER 83 Ca 0.67 -0.45 -0.28 0.00 0.48 0.00 0.00 55.95 56.37 1wff s SER 83 Cb -0.30 0.39 -0.14 0.00 0.10 0.00 0.00 66.02 66.06 1wff s SER 83 CO 0.25 -0.75 0.72 -1.20 0.98 0.00 0.00 173.24 173.24 1wff n SER 84 N -0.88 -0.16 0.00 7.02 7.64 -1.26 -5.25 113.62 120.73 1wff n SER 84 Ca -0.04 0.85 0.10 0.00 1.01 0.00 0.00 58.87 60.80 1wff n SER 84 Cb 0.60 -0.68 0.62 0.00 -1.01 0.00 0.00 64.21 63.74 1wff n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64