#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 0.01 0.20 1.61 0.01 -1.26 -5.18 113.70 109.09 1wff s SER 2 Ca 0.00 -0.77 -0.22 0.00 1.31 0.00 0.00 55.95 56.27 1wff s SER 2 Cb 0.00 0.44 0.07 0.00 0.21 0.00 0.00 66.02 66.74 1wff s SER 2 CO 0.00 -0.88 0.99 -0.55 0.41 0.00 0.00 173.24 173.20 1wff s SER 3 N -2.93 -0.05 0.00 2.44 0.15 -1.26 -5.19 113.70 106.86 1wff s SER 3 Ca 0.14 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1wff s SER 3 Cb 0.03 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1wff s SER 3 CO -0.02 -1.05 0.00 0.61 1.20 0.00 0.00 173.24 173.97 1wff n GLY 4 N -0.61 1.33 3.54 9.45 0.00 -1.26 -5.19 105.19 112.45 1wff n GLY 4 Ca -0.04 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.39 0.05 1.61 0.01 -1.26 -5.19 113.70 108.53 1wff s SER 5 Ca 0.00 -0.10 -0.27 0.00 1.31 0.00 0.00 55.95 56.88 1wff s SER 5 Cb 0.00 0.48 0.10 0.00 0.21 0.00 0.00 66.02 66.81 1wff s SER 5 CO 0.00 -0.81 1.19 -0.55 0.41 0.00 0.00 173.24 173.48 1wff s SER 6 N -2.66 -0.04 0.00 2.44 0.15 -1.26 -5.18 113.70 107.15 1wff s SER 6 Ca 0.05 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1wff s SER 6 Cb -0.01 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1wff s SER 6 CO -0.07 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.45 1wff n GLY 7 N -0.64 2.87 3.09 9.45 0.00 -1.26 -5.18 105.19 113.52 1wff n GLY 7 Ca -0.04 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1wff n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wff s ILE 8 N 0.00 0.03 -0.12 -0.61 -4.36 -1.26 -5.14 121.20 109.73 1wff s ILE 8 Ca 0.00 -0.28 -0.04 0.00 -0.26 0.00 0.00 60.65 60.07 1wff s ILE 8 Cb 0.00 -0.35 0.05 0.00 1.25 0.00 0.00 42.46 43.42 1wff s ILE 8 CO 0.00 -0.15 0.10 -1.00 0.24 0.00 0.00 174.94 174.12 1wff s HIS 9 N -0.52 0.09 -0.30 1.37 3.76 -1.26 -5.10 115.29 113.33 1wff s HIS 9 Ca -0.06 -0.02 -0.09 0.00 -0.15 0.00 0.00 55.06 54.74 1wff s HIS 9 Cb -0.04 -0.57 0.18 0.00 1.11 0.00 0.00 32.58 33.27 1wff s HIS 9 CO 0.01 -0.40 0.92 -1.58 -0.85 0.00 0.00 174.74 172.84 1wff s HIS 10 N 2.18 -0.85 -0.22 1.40 5.04 -1.26 -5.14 115.29 116.43 1wff s HIS 10 Ca 0.03 0.87 -0.03 0.00 -1.54 0.00 0.00 55.06 54.39 1wff s HIS 10 Cb -0.14 0.29 0.12 0.00 0.04 0.00 0.00 32.58 32.88 1wff s HIS 10 CO -0.07 -0.47 0.34 -0.51 -2.34 0.00 0.00 174.74 171.69 1wff s LEU 11 N 2.93 -0.51 0.13 8.88 1.43 -1.26 -5.14 118.68 125.13 1wff s LEU 11 Ca 0.07 0.23 -0.31 0.00 -1.03 0.00 0.00 54.13 53.08 1wff s LEU 11 Cb -0.11 0.97 -0.08 0.00 0.03 0.00 0.00 46.19 47.00 1wff s LEU 11 CO -0.15 -0.30 1.35 -2.16 0.23 0.00 0.00 176.35 175.33 1wff s PRO 12 N 2.50 4.35 1.06 1.29 0.04 -1.26 -5.02 135.00 137.96 1wff s PRO 12 Ca 0.10 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.03 1wff s PRO 12 Cb -0.15 -3.25 0.22 0.00 0.04 0.00 0.00 34.50 31.36 1wff s PRO 12 CO -0.14 -0.37 1.10 -1.25 0.04 0.00 0.00 177.00 176.37 1wff s PRO 13 N 0.82 -0.08 -0.02 0.56 0.04 -1.26 -5.08 135.00 129.98 1wff s PRO 13 Ca 0.62 0.35 0.01 0.00 0.04 0.00 0.00 61.00 62.02 1wff s PRO 13 Cb -0.36 -1.69 0.01 0.00 0.04 0.00 0.00 34.50 32.50 1wff s PRO 13 CO 0.32 -3.04 -0.02 0.54 0.04 0.00 0.00 177.00 174.84 1wff s VAL 14 N -2.97 0.26 0.21 -0.36 0.11 -1.26 -5.15 120.40 111.24 1wff s VAL 14 Ca 0.67 -0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 59.57 1wff s VAL 14 Cb -0.17 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.39 1wff s VAL 14 CO 0.57 0.13 0.38 -0.54 -3.33 0.00 0.00 175.10 172.31 1wff s LYS 15 N 0.53 1.36 -0.30 1.54 1.02 -1.26 -5.16 119.74 117.47 1wff s LYS 15 Ca -0.05 -1.22 -0.15 0.00 0.02 0.00 0.00 55.97 54.56 1wff s LYS 15 Cb -0.09 0.43 0.17 0.00 -0.52 0.00 0.00 37.83 37.82 1wff s LYS 15 CO -0.01 -0.54 1.05 0.00 -0.92 0.00 0.00 175.35 174.93 1wff s ALA 16 N -4.00 -2.92 -0.02 5.17 0.00 -1.26 -5.14 121.76 113.60 1wff s ALA 16 Ca 0.21 1.91 -0.30 0.00 0.00 0.00 0.00 51.96 53.77 1wff s ALA 16 Cb 0.01 -2.17 -0.05 0.00 0.00 0.00 0.00 23.12 20.91 1wff s ALA 16 CO 0.05 -1.04 1.46 -1.25 0.00 0.00 0.00 175.76 174.98 1wff s PRO 17 N 2.46 4.25 -0.52 0.00 0.04 -1.26 -4.99 135.00 134.98 1wff s PRO 17 Ca -0.01 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.06 1wff s PRO 17 Cb -0.06 -3.67 0.13 0.00 0.04 0.00 0.00 34.50 30.95 1wff s PRO 17 CO -0.16 -0.65 0.28 -0.51 0.04 0.00 0.00 177.00 175.99 1wff s LEU 18 N 2.81 4.72 -0.12 -3.56 1.43 -1.26 -5.05 118.68 117.64 1wff s LEU 18 Ca 0.66 -2.78 -0.01 0.00 -1.03 0.00 0.00 54.13 50.97 1wff s LEU 18 Cb -0.32 -1.72 0.04 0.00 0.03 0.00 0.00 46.19 44.22 1wff s LEU 18 CO 0.27 -0.31 -0.02 -1.10 0.23 0.00 0.00 176.35 175.41 1wff s GLN 19 N 0.04 1.01 -0.17 1.70 -1.52 -1.26 -5.11 119.66 114.34 1wff s GLN 19 Ca 0.16 -0.21 -0.02 0.00 -1.95 0.00 0.00 55.36 53.34 1wff s GLN 19 Cb -0.23 -1.55 0.05 0.00 -0.22 0.00 0.00 33.01 31.05 1wff s GLN 19 CO -0.02 -0.39 -0.00 0.99 -0.25 0.00 0.00 175.29 175.62 1wff s THR 20 N 1.82 0.77 0.64 -0.19 2.01 -1.26 -5.13 115.64 114.30 1wff s THR 20 Ca 0.03 -0.54 -0.17 0.00 0.31 0.00 0.00 61.69 61.32 1wff s THR 20 Cb -0.14 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 71.26 1wff s THR 20 CO -0.07 -0.03 1.20 -0.54 -0.69 0.00 0.00 174.62 174.49 1wff s LYS 21 N 1.77 2.69 -0.43 4.92 1.02 -1.26 -4.99 119.74 123.45 1wff s LYS 21 Ca -0.00 1.77 -0.11 0.00 0.02 0.00 0.00 55.97 57.65 1wff s LYS 21 Cb -0.16 -1.90 0.08 0.00 -0.52 0.00 0.00 37.83 35.33 1wff s LYS 21 CO -0.07 -1.41 0.30 0.15 -0.92 0.00 0.00 175.35 173.39 1wff s LYS 22 N -3.59 2.68 -0.15 1.68 3.01 -1.26 -5.05 119.74 117.07 1wff s LYS 22 Ca 0.76 -1.46 -0.00 0.00 -1.01 0.00 0.00 55.97 54.25 1wff s LYS 22 Cb -0.29 -3.87 0.04 0.00 -1.01 0.00 0.00 37.83 32.69 1wff s LYS 22 CO 0.38 -0.99 -0.06 -1.59 0.51 0.00 0.00 175.35 173.60 1wff s LYS 23 N 1.47 1.46 0.02 1.68 -2.85 -1.26 -5.12 119.74 115.15 1wff s LYS 23 Ca 0.03 -0.42 -0.30 0.00 -1.00 0.00 0.00 55.97 54.28 1wff s LYS 23 Cb -0.24 -1.86 -0.05 0.00 -2.06 0.00 0.00 37.83 33.63 1wff s LYS 23 CO 0.03 -0.37 1.17 0.42 0.10 0.00 0.00 175.35 176.69 1wff s ILE 24 N 1.66 4.21 -0.84 3.79 -1.09 -1.26 -4.99 121.20 122.68 1wff s ILE 24 Ca 0.02 1.57 -0.08 0.00 -2.23 0.00 0.00 60.65 59.93 1wff s ILE 24 Cb -0.14 -4.01 0.22 0.00 -1.58 0.00 0.00 42.46 36.94 1wff s ILE 24 CO -0.08 0.09 0.75 -0.32 -1.23 0.00 0.00 174.94 174.16 1wff s MET 25 N 1.33 3.41 0.67 2.79 1.75 -1.26 -4.85 119.30 123.14 1wff s MET 25 Ca 0.57 -2.75 -0.13 0.00 -1.25 0.00 0.00 55.69 52.13 1wff s MET 25 Cb -0.27 -4.21 -0.00 0.00 2.84 0.00 0.00 34.83 33.19 1wff s MET 25 CO 0.27 -1.25 1.07 0.15 -0.65 0.00 0.00 175.02 174.61 1wff s LYS 26 N -0.40 2.95 -0.12 4.11 1.02 -1.26 -4.91 119.74 121.14 1wff s LYS 26 Ca 0.22 1.13 -0.16 0.00 0.02 0.00 0.00 55.97 57.18 1wff s LYS 26 Cb -0.12 -1.98 0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1wff s LYS 26 CO -0.08 -1.10 0.41 -3.38 -0.92 0.00 0.00 175.35 170.28 1wff s HIS 27 N -2.72 -0.40 0.42 3.18 -3.43 -1.26 -0.95 115.29 110.12 1wff s HIS 27 Ca 0.62 0.92 -0.20 0.00 -0.80 0.00 0.00 55.06 55.59 1wff s HIS 27 Cb -0.16 0.16 -0.15 0.00 -1.43 0.00 0.00 32.58 30.99 1wff s HIS 27 CO 0.47 -0.29 0.04 0.00 -2.00 0.00 0.00 174.74 172.96 1wff n PHE 29 N -1.11 0.54 0.00 0.00 7.35 0.50 -3.07 117.46 121.66 1wff n PHE 29 Ca 0.10 0.18 0.00 0.00 -0.76 0.00 0.00 57.45 56.97 1wff n PHE 29 Cb 0.41 -0.93 0.00 0.00 0.35 0.00 0.00 39.48 39.31 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 -2.70 0.00 -0.02 -2.13 7.94 -1.26 -4.59 117.00 114.24 1wff n LEU 30 Ca -0.13 0.57 -0.17 0.00 -1.11 0.00 0.00 56.01 55.17 1wff n LEU 30 Cb 0.83 -0.50 -0.14 0.00 0.53 0.00 0.00 43.42 44.15 1wff n LEU 30 CO 0.43 -0.50 0.20 0.00 -1.11 0.00 0.00 177.39 176.41 1wff n GLY 32 N 1.63 1.85 3.71 0.00 0.00 -1.17 -5.04 105.19 106.16 1wff n GLY 32 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.57 4.38 0.22 1.61 2.20 -1.26 -4.69 119.74 121.63 1wff s LYS 33 Ca 0.00 0.76 -0.31 0.00 -0.36 0.00 0.00 55.97 56.06 1wff s LYS 33 Cb 0.00 -3.47 -0.15 0.00 -1.51 0.00 0.00 37.83 32.70 1wff s LYS 33 CO 0.00 0.02 1.14 0.36 -0.36 0.00 0.00 175.35 176.51 1wff n LYS 34 N 4.00 1.35 -3.74 4.03 -0.00 -1.26 -1.40 118.16 121.13 1wff n LYS 34 Ca -0.02 0.48 -0.26 0.00 -0.00 0.00 0.00 58.31 58.50 1wff n LYS 34 Cb 0.51 -1.95 -0.17 0.00 -0.00 0.00 0.00 35.03 33.42 1wff n LYS 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1wff s THR 35 N -0.47 0.47 1.04 0.58 -4.23 -0.13 -4.83 115.64 108.07 1wff s THR 35 Ca 0.67 -0.33 -0.16 0.00 -1.18 0.00 0.00 61.69 60.69 1wff s THR 35 Cb -0.77 -0.87 0.26 0.00 1.34 0.00 0.00 72.50 72.46 1wff s THR 35 CO 0.54 -0.06 0.58 0.61 -0.54 0.00 0.00 174.62 175.75 1wff n GLY 36 N 5.09 -3.31 0.23 3.99 0.00 -1.26 -3.98 105.19 105.94 1wff n GLY 36 Ca -0.08 -1.08 0.01 0.00 0.00 0.00 0.00 46.02 44.87 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 0.06 0.12 0.99 5.85 -1.92 0.12 115.31 120.53 1wff h LEU 37 Ca -0.26 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1wff h LEU 37 Cb 0.88 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1wff h LEU 37 CO 0.16 0.04 -0.06 0.00 -0.34 0.00 0.00 178.44 178.24 1wff h ALA 38 N 1.47 -0.31 -1.32 1.25 0.00 -2.02 -3.30 119.26 115.03 1wff h ALA 38 Ca 0.32 -0.03 0.46 0.00 0.00 0.00 0.00 54.91 55.65 1wff h ALA 38 Cb 0.46 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.17 1wff h ALA 38 CO -0.38 -0.29 0.84 1.15 0.00 0.00 0.00 179.25 180.56 1wff h THR 39 N -0.48 0.04 -2.71 0.00 2.02 -1.87 -3.38 112.91 106.54 1wff h THR 39 Ca -0.02 -0.01 -0.53 0.00 0.77 0.00 0.00 66.41 66.62 1wff h THR 39 Cb 0.12 0.01 0.02 0.00 -1.74 0.00 0.00 68.15 66.56 1wff h THR 39 CO 0.03 0.01 0.98 -0.94 0.37 0.00 0.00 175.52 175.96 1wff s SER 40 N -4.36 6.61 0.28 4.18 1.04 0.40 -4.25 113.70 117.59 1wff s SER 40 Ca -0.08 2.49 0.12 0.00 0.48 0.00 0.00 55.95 58.96 1wff s SER 40 Cb 0.31 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.81 1wff s SER 40 CO 0.82 -0.87 -0.19 -0.36 0.98 0.00 0.00 173.24 173.62 1wff s PHE 41 N 2.42 2.25 -0.05 5.02 0.08 -1.21 -4.95 117.98 121.55 1wff s PHE 41 Ca 0.73 -0.35 0.06 0.00 0.12 0.00 0.00 56.93 57.49 1wff s PHE 41 Cb -0.40 -0.99 -0.01 0.00 -0.57 0.00 0.00 43.02 41.05 1wff s PHE 41 CO 0.32 0.69 -0.25 -2.00 -0.10 0.00 0.00 175.22 173.88 1wff s GLU 42 N -3.52 2.47 0.27 0.44 2.56 -1.26 -3.42 118.70 116.23 1wff s GLU 42 Ca 0.30 -0.90 0.08 0.00 0.00 0.00 0.00 54.97 54.44 1wff s GLU 42 Cb -0.04 -2.15 -0.04 0.00 2.00 0.00 0.00 34.13 33.90 1wff s GLU 42 CO 0.14 0.42 0.18 0.00 -0.56 0.00 0.00 175.26 175.45 1wff h ARG 44 N 1.52 0.58 -0.31 0.00 2.47 -1.97 0.13 114.38 116.79 1wff h ARG 44 Ca -0.47 -0.03 -0.12 0.00 -1.26 0.00 0.00 59.98 58.10 1wff h ARG 44 Cb 1.24 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.42 1wff h ARG 44 CO 0.60 0.38 -0.29 0.00 0.56 0.00 0.00 179.97 181.23 1wff n GLY 46 N -0.20 1.76 3.45 0.00 0.00 0.45 -5.09 105.19 105.57 1wff n GLY 46 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 4.73 -0.20 1.61 0.01 -1.26 -4.88 114.94 112.95 1wff s ASN 47 Ca 0.00 -0.19 -0.29 0.00 -0.71 0.00 0.00 52.86 51.66 1wff s ASN 47 Cb 0.00 -1.79 0.00 0.00 0.41 0.00 0.00 41.25 39.87 1wff s ASN 47 CO 0.00 0.11 1.09 0.21 -1.51 0.00 0.00 177.10 177.00 1wff s ASN 48 N 0.74 7.07 0.29 -1.22 2.47 -1.26 -3.55 114.94 119.49 1wff s ASN 48 Ca -0.01 1.48 0.06 0.00 0.42 0.00 0.00 52.86 54.81 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 0.02 -0.67 -0.03 -0.36 -3.72 0.00 0.00 177.10 172.33 1wff s PHE 49 N 3.16 1.98 0.82 0.43 0.08 -1.22 0.19 117.98 123.42 1wff s PHE 49 Ca 0.47 -0.74 -0.12 0.00 0.12 0.00 0.00 56.93 56.66 1wff s PHE 49 Cb -0.17 -1.18 0.10 0.00 -0.57 0.00 0.00 43.02 41.20 1wff s PHE 49 CO 0.09 0.24 1.18 0.00 -0.10 0.00 0.00 175.22 176.63 1wff h ALA 51 N -1.10 2.36 0.03 0.00 0.00 -1.98 2.00 119.26 120.56 1wff h ALA 51 Ca -0.45 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.20 1wff h ALA 51 Cb 1.31 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1wff h ALA 51 CO 0.60 -0.50 -1.01 1.03 0.00 0.00 0.00 179.25 179.37 1wff h SER 52 N 0.10 0.56 -0.29 0.00 0.87 -1.96 -3.28 113.55 109.55 1wff h SER 52 Ca 0.25 -0.48 -0.11 0.00 -1.23 0.00 0.00 61.79 60.22 1wff h SER 52 Cb 0.85 -0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 62.57 1wff h SER 52 CO -0.02 1.29 -0.05 1.41 -0.53 0.00 0.00 176.83 178.93 1wff n HIS 53 N -3.72 0.96 0.17 2.24 -0.00 -0.18 -4.60 115.22 110.09 1wff n HIS 53 Ca -0.08 -1.31 0.04 0.00 -0.00 0.00 0.00 57.72 56.37 1wff n HIS 53 Cb 0.88 -0.41 0.28 0.00 -0.00 0.00 0.00 29.99 30.74 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 1.20 0.00 -7.39 -0.41 0.11 0.31 -3.39 114.38 104.80 1wff h ARG 54 Ca 0.13 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.72 1wff h ARG 54 Cb 1.54 0.00 0.11 0.00 1.11 0.00 0.00 29.97 32.73 1wff h ARG 54 CO 0.30 0.43 0.34 0.71 0.10 0.00 0.00 179.97 181.85 1wff s TYR 55 N -3.55 2.84 -0.01 4.08 1.51 -1.26 -4.84 117.35 116.11 1wff s TYR 55 Ca 0.00 1.23 -0.10 0.00 -1.01 0.00 0.00 57.07 57.19 1wff s TYR 55 Cb 0.11 -3.07 -0.05 0.00 -0.11 0.00 0.00 41.96 38.83 1wff s TYR 55 CO 0.70 -1.71 0.62 0.00 -1.11 0.00 0.00 175.55 174.06 1wff h ALA 56 N -1.05 -0.57 -1.09 3.71 0.00 -1.97 -3.25 119.26 115.05 1wff h ALA 56 Ca -0.46 -0.08 0.30 0.00 0.00 0.00 0.00 54.91 54.67 1wff h ALA 56 Cb 1.26 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 1wff h ALA 56 CO 0.58 -0.54 0.74 1.05 0.00 0.00 0.00 179.25 181.08 1wff h GLU 57 N -0.64 0.20 -0.91 0.00 4.11 -1.94 0.21 114.58 115.61 1wff h GLU 57 Ca -0.04 -0.01 0.15 0.00 0.07 0.00 0.00 59.36 59.53 1wff h GLU 57 Cb 0.27 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.38 1wff h GLU 57 CO 0.06 0.13 0.50 0.00 0.07 0.00 0.00 179.01 179.78 1wff h ALA 58 N 1.54 1.40 -0.21 1.06 0.00 -1.90 -1.67 119.26 119.48 1wff h ALA 58 Ca 0.58 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.45 1wff h ALA 58 Cb 1.83 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.49 1wff h ALA 58 CO -0.17 -0.03 -0.31 -2.39 0.00 0.00 0.00 179.25 176.34 1wff n HIS 59 N -4.81 0.66 -3.95 0.00 1.44 0.61 -4.99 115.22 104.18 1wff n HIS 59 Ca 0.19 -1.60 -0.37 0.00 -2.01 0.00 0.00 57.72 53.92 1wff n HIS 59 Cb 0.45 -0.38 0.01 0.00 0.12 0.00 0.00 29.99 30.19 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 -1.11 -0.92 3.67 -1.39 0.00 -0.52 -4.79 105.19 100.13 1wff n GLY 60 Ca 0.27 0.39 -0.42 0.00 0.00 0.00 0.00 46.02 46.27 1wff n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wff h ASN 62 N 2.02 0.10 -0.03 0.00 2.35 -1.94 -3.47 115.58 114.63 1wff h ASN 62 Ca -0.46 -0.23 -0.72 0.00 -0.55 0.00 0.00 56.30 54.34 1wff h ASN 62 Cb 1.31 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 39.59 1wff h ASN 62 CO 0.60 1.21 1.40 0.00 -1.65 0.00 0.00 177.43 178.99 1wff n TYR 63 N -3.16 1.06 -1.51 1.19 4.19 -1.26 -4.72 117.16 112.95 1wff n TYR 63 Ca -0.20 0.69 -0.48 0.00 3.31 0.00 0.00 57.90 61.22 1wff n TYR 63 Cb 1.05 -2.31 -0.05 0.00 0.49 0.00 0.00 39.34 38.51 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 8.12 2.62 -4.39 2.98 -0.08 -1.26 -4.88 116.55 119.65 1wff n ASP 64 Ca 0.57 0.34 -0.45 0.00 -1.51 0.00 0.00 54.79 53.74 1wff n ASP 64 Cb -0.02 -1.38 -0.01 0.00 2.34 0.00 0.00 41.12 42.04 1wff n ASP 64 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1wff s TYR 65 N 7.62 3.64 -0.09 -0.67 2.02 -1.26 -4.97 117.35 123.63 1wff s TYR 65 Ca 1.06 -2.00 -0.15 0.00 -0.37 0.00 0.00 57.07 55.61 1wff s TYR 65 Cb -0.64 -4.06 0.03 0.00 -0.40 0.00 0.00 41.96 36.89 1wff s TYR 65 CO 0.44 -1.21 0.36 0.15 -1.57 0.00 0.00 175.55 173.72 1wff s LYS 66 N 0.87 0.56 -1.74 -0.62 -0.14 -1.26 -4.91 119.74 112.50 1wff s LYS 66 Ca 0.30 0.23 -0.18 0.00 -1.36 0.00 0.00 55.97 54.96 1wff s LYS 66 Cb -0.07 0.26 0.18 0.00 -1.68 0.00 0.00 37.83 36.52 1wff s LYS 66 CO -0.07 -0.12 0.44 0.45 -0.76 0.00 0.00 175.35 175.29 1wff n SER 67 N 2.16 -1.13 -0.01 2.83 2.88 -1.26 -4.80 113.62 114.29 1wff n SER 67 Ca -0.17 -1.21 -0.09 0.00 -1.33 0.00 0.00 58.87 56.07 1wff n SER 67 Cb 0.57 -1.54 -0.03 0.00 -0.75 0.00 0.00 64.21 62.46 1wff n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wff h ALA 68 N 0.90 0.03 -2.01 -1.46 0.00 -1.90 -3.35 119.26 111.46 1wff h ALA 68 Ca -0.59 0.06 -0.52 0.00 0.00 0.00 0.00 54.91 53.85 1wff h ALA 68 Cb 1.34 0.20 -0.40 0.00 0.00 0.00 0.00 17.79 18.93 1wff h ALA 68 CO 0.82 -0.53 -1.14 0.41 0.00 0.00 0.00 179.25 178.81 1wff n GLY 69 N -1.23 3.30 2.21 0.00 0.00 -1.26 -4.92 105.19 103.28 1wff n GLY 69 Ca -0.03 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.21 1wff n GLY 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wff n ARG 70 N 0.83 -1.91 -0.06 1.61 0.63 -1.26 -4.82 116.66 111.69 1wff n ARG 70 Ca 0.23 0.56 -0.04 0.00 -0.92 0.00 0.00 57.85 57.69 1wff n ARG 70 Cb 0.59 -5.00 -0.02 0.00 0.45 0.00 0.00 32.46 28.48 1wff n ARG 70 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1wff h ARG 71 N 0.00 0.00 -5.31 -0.14 1.12 -1.91 -3.45 114.38 104.69 1wff h ARG 71 Ca -0.24 0.00 -0.62 0.00 -1.11 0.00 0.00 59.98 58.01 1wff h ARG 71 Cb 1.00 0.00 -0.13 0.00 -0.01 0.00 0.00 29.97 30.83 1wff h ARG 71 CO 0.31 0.13 -0.06 0.71 -3.11 0.00 0.00 179.97 177.94 1wff s TYR 72 N -1.90 3.26 0.14 2.20 2.02 -1.26 -5.02 117.35 116.80 1wff s TYR 72 Ca -0.08 0.58 -0.34 0.00 -0.37 0.00 0.00 57.07 56.86 1wff s TYR 72 Cb 0.01 -2.69 -0.16 0.00 -0.40 0.00 0.00 41.96 38.72 1wff s TYR 72 CO 0.16 -0.27 1.14 1.47 -1.57 0.00 0.00 175.55 176.47 1wff n LEU 73 N 5.50 1.21 -4.57 -1.29 -0.00 -1.26 -4.19 117.00 112.39 1wff n LEU 73 Ca -0.05 1.14 -0.19 0.00 -0.00 0.00 0.00 56.01 56.91 1wff n LEU 73 Cb 0.50 -1.16 -0.09 0.00 -0.00 0.00 0.00 43.42 42.67 1wff n LEU 73 CO 0.40 -1.44 1.24 -0.70 -0.00 0.00 0.00 177.39 176.89 1wff s GLU 74 N -0.27 1.71 -0.37 1.47 -6.30 -1.26 -4.67 118.70 109.01 1wff s GLU 74 Ca 0.76 -0.50 0.06 0.00 -2.50 0.00 0.00 54.97 52.79 1wff s GLU 74 Cb -0.91 -5.03 0.44 0.00 0.00 0.00 0.00 34.13 28.63 1wff s GLU 74 CO 0.52 -4.77 1.21 -1.91 0.02 0.00 0.00 175.26 170.33 1wff n GLU 75 N 8.35 3.49 -3.79 4.30 2.13 -1.26 -4.98 120.64 128.88 1wff n GLU 75 Ca 0.43 -4.25 -0.24 0.00 0.66 0.00 0.00 57.16 53.76 1wff n GLU 75 Cb 0.46 -2.27 -0.17 0.00 0.27 0.00 0.00 31.44 29.73 1wff n GLU 75 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wff s ALA 76 N -3.60 0.83 -0.57 4.31 0.00 -1.26 -5.07 121.76 116.39 1wff s ALA 76 Ca 0.50 -0.22 0.05 0.00 0.00 0.00 0.00 51.96 52.30 1wff s ALA 76 Cb 0.41 -0.79 0.20 0.00 0.00 0.00 0.00 23.12 22.94 1wff s ALA 76 CO -0.06 -0.47 0.51 -1.71 0.00 0.00 0.00 175.76 174.03 1wff n ASN 77 N 5.11 1.87 -4.56 0.00 2.85 -1.26 -5.05 115.26 114.21 1wff n ASN 77 Ca -0.08 -2.97 -0.28 0.00 -0.11 0.00 0.00 54.58 51.14 1wff n ASN 77 Cb 0.50 -0.67 -0.05 0.00 1.24 0.00 0.00 39.78 40.80 1wff n ASN 77 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1wff s PRO 78 N -1.25 2.56 -0.16 1.20 0.04 -1.26 -4.90 135.00 131.23 1wff s PRO 78 Ca 0.32 -0.21 -0.04 0.00 0.04 0.00 0.00 61.00 61.11 1wff s PRO 78 Cb 0.05 -5.00 0.06 0.00 0.04 0.00 0.00 34.50 29.64 1wff s PRO 78 CO -0.14 -3.33 0.08 0.54 0.04 0.00 0.00 177.00 174.19 1wff s VAL 79 N 10.02 -0.01 -0.30 -0.36 0.11 -1.26 -5.11 120.40 123.50 1wff s VAL 79 Ca 0.70 -0.15 -0.16 0.00 -2.93 0.00 0.00 61.98 59.44 1wff s VAL 79 Cb -0.07 -0.59 0.19 0.00 -1.53 0.00 0.00 36.38 34.37 1wff s VAL 79 CO 0.01 -0.22 1.15 -0.55 -3.33 0.00 0.00 175.10 172.16 1wff s SER 80 N 2.10 -0.24 0.00 3.54 0.15 -1.26 -5.16 113.70 112.83 1wff s SER 80 Ca 0.02 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1wff s SER 80 Cb -0.16 1.12 0.00 0.00 -1.71 0.00 0.00 66.02 65.27 1wff s SER 80 CO -0.08 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1wff n GLY 81 N 3.47 3.27 1.34 9.45 0.00 -1.26 -5.17 105.19 116.30 1wff n GLY 81 Ca -0.17 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 1wff n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wff n PRO 82 N 0.00 -1.83 -2.30 1.61 -0.04 -1.26 -4.95 135.00 126.24 1wff n PRO 82 Ca 0.00 -0.67 -0.42 0.00 -0.04 0.00 0.00 63.50 62.37 1wff n PRO 82 Cb 0.00 -0.62 -0.03 0.00 -0.04 0.00 0.00 33.50 32.81 1wff n PRO 82 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wff s SER 83 N -2.63 6.91 0.03 3.54 0.15 -1.26 -5.00 113.70 115.43 1wff s SER 83 Ca 0.27 2.01 -0.19 0.00 0.70 0.00 0.00 55.95 58.75 1wff s SER 83 Cb -0.03 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.76 1wff s SER 83 CO 0.21 -0.68 0.42 -0.94 1.20 0.00 0.00 173.24 173.44 1wff s SER 84 N 1.79 -0.30 0.00 5.45 1.04 -1.26 -5.36 113.70 115.06 1wff s SER 84 Ca 0.61 0.07 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1wff s SER 84 Cb -0.29 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1wff s SER 84 CO 0.25 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.45