#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 -0.34 -0.18 1.61 0.15 -1.26 -5.18 113.70 108.50 1wff s SER 2 Ca 0.00 0.65 -0.32 0.00 0.70 0.00 0.00 55.95 56.98 1wff s SER 2 Cb 0.00 0.66 0.14 0.00 -1.71 0.00 0.00 66.02 65.11 1wff s SER 2 CO 0.00 -0.11 1.15 -0.44 1.20 0.00 0.00 173.24 175.04 1wff s SER 3 N 0.18 -0.20 0.00 5.45 0.01 -1.26 -5.18 113.70 112.70 1wff s SER 3 Ca 0.04 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1wff s SER 3 Cb -0.05 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1wff s SER 3 CO -0.09 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1wff n GLY 4 N 0.19 4.49 3.34 3.44 0.00 -1.26 -5.18 105.19 110.22 1wff n GLY 4 Ca -0.03 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.35 0.31 1.61 0.01 -1.26 -5.18 113.70 108.83 1wff s SER 5 Ca 0.00 0.24 -0.19 0.00 1.31 0.00 0.00 55.95 57.30 1wff s SER 5 Cb 0.00 0.41 0.04 0.00 0.21 0.00 0.00 66.02 66.68 1wff s SER 5 CO 0.00 -0.56 0.77 -0.44 0.41 0.00 0.00 173.24 173.42 1wff s SER 6 N -1.50 -0.16 0.00 2.44 0.01 -1.26 -5.14 113.70 108.09 1wff s SER 6 Ca -0.10 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.38 1wff s SER 6 Cb -0.02 0.75 0.00 0.00 0.21 0.00 0.00 66.02 66.96 1wff s SER 6 CO 0.04 -1.43 0.00 0.61 0.41 0.00 0.00 173.24 172.87 1wff n GLY 7 N -0.49 -0.64 3.41 3.44 0.00 -1.26 -5.17 105.19 104.48 1wff n GLY 7 Ca -0.06 0.68 -0.30 0.00 0.00 0.00 0.00 46.02 46.35 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 2.47 -0.17 -0.61 1.01 -1.26 -5.13 121.20 117.50 1wff s ILE 8 Ca 0.00 -1.43 -0.18 0.00 0.00 0.00 0.00 60.65 59.04 1wff s ILE 8 Cb 0.00 -2.04 0.05 0.00 0.01 0.00 0.00 42.46 40.48 1wff s ILE 8 CO 0.00 0.26 0.51 -1.38 0.00 0.00 0.00 174.94 174.32 1wff s HIS 9 N -0.95 -0.54 0.27 3.97 -3.43 -1.26 -5.18 115.29 108.18 1wff s HIS 9 Ca 0.14 1.27 -0.20 0.00 -0.80 0.00 0.00 55.06 55.47 1wff s HIS 9 Cb -0.10 0.20 0.02 0.00 -1.43 0.00 0.00 32.58 31.26 1wff s HIS 9 CO 0.05 -0.30 0.67 -1.58 -2.00 0.00 0.00 174.74 171.58 1wff s HIS 10 N 0.05 -0.10 -0.30 0.38 5.04 -1.26 -5.17 115.29 113.94 1wff s HIS 10 Ca -0.02 -0.34 -0.07 0.00 -1.54 0.00 0.00 55.06 53.09 1wff s HIS 10 Cb -0.03 0.61 0.15 0.00 0.04 0.00 0.00 32.58 33.35 1wff s HIS 10 CO 0.02 -1.19 0.66 -1.17 -2.34 0.00 0.00 174.74 170.72 1wff s LEU 11 N -2.93 -1.18 0.20 8.88 1.98 -1.26 -5.15 118.68 119.22 1wff s LEU 11 Ca 0.13 1.28 -0.30 0.00 -2.89 0.00 0.00 54.13 52.35 1wff s LEU 11 Cb -0.05 2.21 -0.09 0.00 0.66 0.00 0.00 46.19 48.92 1wff s LEU 11 CO 0.07 -0.22 1.30 -2.16 -1.89 0.00 0.00 176.35 173.44 1wff s PRO 12 N 2.86 4.40 0.58 0.98 0.04 -1.26 -5.01 135.00 137.60 1wff s PRO 12 Ca 0.03 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.94 1wff s PRO 12 Cb -0.13 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1wff s PRO 12 CO -0.19 -0.23 1.12 -1.25 0.04 0.00 0.00 177.00 176.49 1wff s PRO 13 N -0.20 3.18 -0.07 0.56 0.04 -1.26 -5.06 135.00 132.18 1wff s PRO 13 Ca 0.56 1.54 -0.00 0.00 0.04 0.00 0.00 61.00 63.13 1wff s PRO 13 Cb -0.36 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.21 1wff s PRO 13 CO 0.39 -0.98 -0.04 0.08 0.04 0.00 0.00 177.00 176.49 1wff s VAL 14 N -1.96 0.64 0.34 -0.36 1.01 -1.26 -5.14 120.40 113.66 1wff s VAL 14 Ca 0.71 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.63 1wff s VAL 14 Cb -0.23 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1wff s VAL 14 CO 0.32 0.28 0.12 -0.54 0.00 0.00 0.00 175.10 175.28 1wff s LYS 15 N 1.53 1.70 0.03 2.72 3.01 -1.26 -5.18 119.74 122.30 1wff s LYS 15 Ca -0.01 -1.98 -0.14 0.00 -1.01 0.00 0.00 55.97 52.83 1wff s LYS 15 Cb -0.13 -0.48 0.02 0.00 -1.01 0.00 0.00 37.83 36.23 1wff s LYS 15 CO -0.04 -0.38 0.30 0.00 0.51 0.00 0.00 175.35 175.75 1wff s ALA 16 N -3.42 -0.70 0.87 5.17 0.00 -1.26 -5.17 121.76 117.26 1wff s ALA 16 Ca 0.32 0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.23 1wff s ALA 16 Cb 0.05 0.28 0.11 0.00 0.00 0.00 0.00 23.12 23.57 1wff s ALA 16 CO 0.16 -0.39 1.09 -1.25 0.00 0.00 0.00 175.76 175.37 1wff s PRO 17 N -2.34 1.46 0.84 0.00 0.04 -1.26 -5.06 135.00 128.68 1wff s PRO 17 Ca -0.06 0.89 -0.10 0.00 0.04 0.00 0.00 61.00 61.76 1wff s PRO 17 Cb -0.02 -1.83 0.14 0.00 0.04 0.00 0.00 34.50 32.84 1wff s PRO 17 CO -0.02 -2.12 1.17 -0.51 0.04 0.00 0.00 177.00 175.56 1wff s LEU 18 N -6.16 2.76 -0.56 -3.56 1.43 -1.26 -5.03 118.68 106.30 1wff s LEU 18 Ca 0.63 0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 53.83 1wff s LEU 18 Cb -0.18 -2.53 0.14 0.00 0.03 0.00 0.00 46.19 43.65 1wff s LEU 18 CO 0.57 -2.21 0.49 -1.10 0.23 0.00 0.00 176.35 174.33 1wff s GLN 19 N -5.56 2.93 -0.25 1.70 1.11 -1.26 -5.02 119.66 113.31 1wff s GLN 19 Ca 0.68 -1.83 0.00 0.00 0.01 0.00 0.00 55.36 54.22 1wff s GLN 19 Cb -0.06 -4.21 0.07 0.00 -1.01 0.00 0.00 33.01 27.79 1wff s GLN 19 CO 0.49 -1.29 -0.01 0.99 0.01 0.00 0.00 175.29 175.48 1wff s THR 20 N 1.34 1.40 0.03 -0.19 2.01 -1.26 -5.03 115.64 113.94 1wff s THR 20 Ca 0.06 -1.27 -0.28 0.00 0.31 0.00 0.00 61.69 60.50 1wff s THR 20 Cb -0.27 -1.77 -0.15 0.00 0.01 0.00 0.00 72.50 70.32 1wff s THR 20 CO 0.01 -0.24 1.30 0.11 -0.69 0.00 0.00 174.62 175.11 1wff h LYS 21 N 7.97 -0.97 -1.54 4.92 1.79 -2.07 -3.47 116.57 123.20 1wff h LYS 21 Ca -0.16 0.07 0.09 0.00 -2.18 0.00 0.00 60.65 58.46 1wff h LYS 21 Cb 1.06 0.22 -0.24 0.00 -1.58 0.00 0.00 32.23 31.69 1wff h LYS 21 CO 0.42 -0.65 0.55 -1.59 -1.08 0.00 0.00 179.45 177.10 1wff s LYS 22 N -5.02 0.53 -0.20 3.15 -2.85 -1.26 -5.15 119.74 108.95 1wff s LYS 22 Ca -0.15 0.26 -0.04 0.00 -1.00 0.00 0.00 55.97 55.04 1wff s LYS 22 Cb 0.01 0.25 0.09 0.00 -2.06 0.00 0.00 37.83 36.13 1wff s LYS 22 CO 0.44 -0.14 0.20 0.15 0.10 0.00 0.00 175.35 176.10 1wff s LYS 23 N -0.71 0.17 -0.38 1.78 1.02 -1.26 -5.03 119.74 115.33 1wff s LYS 23 Ca 0.00 0.16 -0.03 0.00 0.02 0.00 0.00 55.97 56.12 1wff s LYS 23 Cb -0.02 -1.30 0.11 0.00 -0.52 0.00 0.00 37.83 36.10 1wff s LYS 23 CO -0.01 -0.66 2.51 -0.89 -0.92 0.00 0.00 175.35 175.38 1wff n ILE 24 N 5.31 3.10 -2.34 2.17 2.08 -1.26 -4.92 119.36 123.50 1wff n ILE 24 Ca -0.06 -2.40 -0.42 0.00 0.56 0.00 0.00 62.75 60.43 1wff n ILE 24 Cb 0.49 -1.51 -0.02 0.00 -0.75 0.00 0.00 39.64 37.85 1wff n ILE 24 CO 0.00 0.00 0.00 -0.32 0.56 0.00 0.00 176.55 176.79 1wff s MET 25 N -1.65 3.43 0.08 0.38 1.75 -1.26 -4.96 119.30 117.06 1wff s MET 25 Ca 0.48 0.77 0.02 0.00 -1.25 0.00 0.00 55.69 55.71 1wff s MET 25 Cb 0.33 -4.08 -0.04 0.00 2.84 0.00 0.00 34.83 33.88 1wff s MET 25 CO -0.12 -1.76 0.11 0.21 -0.65 0.00 0.00 175.02 172.81 1wff s LYS 26 N 5.25 3.00 -0.01 4.11 2.20 -1.25 -5.07 119.74 127.97 1wff s LYS 26 Ca 0.59 -0.64 -0.01 0.00 -0.36 0.00 0.00 55.97 55.55 1wff s LYS 26 Cb -0.13 -2.80 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 1wff s LYS 26 CO 0.30 0.58 0.02 -3.38 -0.36 0.00 0.00 175.35 172.51 1wff s HIS 27 N -1.41 -0.00 0.70 4.03 -3.43 -1.26 -2.24 115.29 111.67 1wff s HIS 27 Ca 0.30 0.02 -0.18 0.00 -0.80 0.00 0.00 55.06 54.41 1wff s HIS 27 Cb -0.12 -0.01 -0.15 0.00 -1.43 0.00 0.00 32.58 30.87 1wff s HIS 27 CO 0.23 -0.03 -0.40 0.00 -2.00 0.00 0.00 174.74 172.53 1wff n PHE 29 N -1.91 0.00 0.06 0.00 7.35 0.11 -3.39 117.46 119.69 1wff n PHE 29 Ca 0.04 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.70 1wff n PHE 29 Cb 0.51 -1.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.32 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 -0.15 0.03 -2.13 5.85 -1.91 -3.41 115.31 113.59 1wff h LEU 30 Ca -0.55 0.01 -0.31 0.00 0.84 0.00 0.00 57.88 57.86 1wff h LEU 30 Cb 2.25 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 43.28 1wff h LEU 30 CO 0.03 -0.06 -1.73 0.00 -0.34 0.00 0.00 178.44 176.33 1wff n GLY 32 N 1.59 1.85 3.82 0.00 0.00 -1.22 -5.03 105.19 106.19 1wff n GLY 32 Ca -0.37 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.35 3.90 0.48 1.61 2.20 -1.26 -4.60 119.74 121.72 1wff s LYS 33 Ca 0.00 1.15 -0.24 0.00 -0.36 0.00 0.00 55.97 56.51 1wff s LYS 33 Cb 0.00 -2.12 -0.08 0.00 -1.51 0.00 0.00 37.83 34.12 1wff s LYS 33 CO 0.00 -0.32 1.34 0.36 -0.36 0.00 0.00 175.35 176.37 1wff n LYS 34 N -1.21 1.93 -3.47 4.03 2.85 -1.26 -1.11 118.16 119.93 1wff n LYS 34 Ca 0.08 0.70 -0.18 0.00 -1.05 0.00 0.00 58.31 57.85 1wff n LYS 34 Cb 0.53 -2.52 -0.12 0.00 -0.65 0.00 0.00 35.03 32.28 1wff n LYS 34 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1wff s THR 35 N -1.24 -0.34 0.00 0.58 -4.23 -0.95 -4.78 115.64 104.69 1wff s THR 35 Ca 0.65 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 1wff s THR 35 Cb -0.46 -0.77 0.00 0.00 1.34 0.00 0.00 72.50 72.61 1wff s THR 35 CO 0.55 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 1wff n GLY 36 N 5.32 -1.80 0.06 3.99 0.00 -1.26 -3.91 105.19 107.59 1wff n GLY 36 Ca -0.05 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 1wff n GLY 36 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wff h LEU 37 N 0.00 0.06 -0.00 0.99 -0.00 -1.93 -1.16 115.31 113.28 1wff h LEU 37 Ca 0.00 -0.24 -0.03 0.00 -0.00 0.00 0.00 57.88 57.61 1wff h LEU 37 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 1wff h LEU 37 CO 0.00 0.29 -0.11 0.00 -0.00 0.00 0.00 178.44 178.61 1wff h ALA 38 N 0.78 0.01 -0.07 1.53 0.00 -2.04 -3.34 119.26 116.13 1wff h ALA 38 Ca 0.01 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.53 1wff h ALA 38 Cb 0.25 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1wff h ALA 38 CO 0.00 -0.02 -0.34 1.15 0.00 0.00 0.00 179.25 180.04 1wff h THR 39 N -0.66 0.27 -1.82 0.00 2.02 -1.90 -3.41 112.91 107.41 1wff h THR 39 Ca -0.01 0.00 -0.67 0.00 0.77 0.00 0.00 66.41 66.50 1wff h THR 39 Cb 0.89 0.27 0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1wff h THR 39 CO 0.02 0.00 0.80 -1.54 0.37 0.00 0.00 175.52 175.17 1wff n SER 40 N -5.42 2.53 -4.66 4.18 3.41 -0.44 -4.36 113.62 108.87 1wff n SER 40 Ca -0.04 1.07 -0.30 0.00 -0.26 0.00 0.00 58.87 59.34 1wff n SER 40 Cb 0.33 -1.26 -0.09 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 2.32 2.16 -0.04 7.33 0.08 -1.23 -4.93 117.98 123.67 1wff s PHE 41 Ca 0.90 -0.84 0.04 0.00 0.12 0.00 0.00 56.93 57.15 1wff s PHE 41 Cb -0.89 -1.65 -0.00 0.00 -0.57 0.00 0.00 43.02 39.91 1wff s PHE 41 CO 0.52 0.30 -0.18 -1.83 -0.10 0.00 0.00 175.22 173.93 1wff s GLU 42 N -3.80 1.85 0.30 0.44 -1.05 -1.26 -3.93 118.70 111.25 1wff s GLU 42 Ca 0.21 -0.63 0.08 0.00 -0.15 0.00 0.00 54.97 54.47 1wff s GLU 42 Cb 0.06 -1.60 -0.03 0.00 -0.44 0.00 0.00 34.13 32.11 1wff s GLU 42 CO 0.11 0.25 0.21 0.00 0.95 0.00 0.00 175.26 176.78 1wff h ARG 44 N 1.43 0.26 -0.02 0.00 2.47 -1.94 0.51 114.38 117.10 1wff h ARG 44 Ca -0.46 -0.02 -0.22 0.00 -1.26 0.00 0.00 59.98 58.03 1wff h ARG 44 Cb 1.25 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 1wff h ARG 44 CO 0.60 0.17 -0.90 0.00 0.56 0.00 0.00 179.97 180.40 1wff n GLY 46 N 0.87 1.77 3.62 0.00 0.00 0.18 -5.05 105.19 106.58 1wff n GLY 46 Ca -0.06 -0.56 -0.45 0.00 0.00 0.00 0.00 46.02 44.95 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 0.02 1.71 -4.74 1.61 3.02 -1.26 -4.38 115.26 111.24 1wff n ASN 47 Ca 0.00 1.18 -0.39 0.00 -0.03 0.00 0.00 54.58 55.33 1wff n ASN 47 Cb 0.00 -1.33 -0.05 0.00 -0.61 0.00 0.00 39.78 37.79 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 -0.37 7.04 0.29 6.41 2.47 -1.26 -3.64 114.94 125.87 1wff s ASN 48 Ca 0.60 1.24 0.02 0.00 0.42 0.00 0.00 52.86 55.15 1wff s ASN 48 Cb -0.69 -2.41 -0.06 0.00 -1.45 0.00 0.00 41.25 36.65 1wff s ASN 48 CO 0.59 0.00 0.08 -0.36 -3.72 0.00 0.00 177.10 173.69 1wff s PHE 49 N 0.21 1.71 0.64 0.43 0.08 -1.25 0.09 117.98 119.88 1wff s PHE 49 Ca 0.35 -1.10 -0.10 0.00 0.12 0.00 0.00 56.93 56.20 1wff s PHE 49 Cb -0.19 -1.05 -0.01 0.00 -0.57 0.00 0.00 43.02 41.20 1wff s PHE 49 CO 0.19 -0.21 1.02 0.00 -0.10 0.00 0.00 175.22 176.12 1wff h ALA 51 N -0.39 2.44 0.09 0.00 0.00 -1.93 1.87 119.26 121.35 1wff h ALA 51 Ca -0.45 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.16 1wff h ALA 51 Cb 1.23 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1wff h ALA 51 CO 0.63 -1.01 -1.36 1.03 0.00 0.00 0.00 179.25 178.53 1wff h SER 52 N 0.00 0.30 -0.27 0.00 0.87 -1.96 -3.32 113.55 109.17 1wff h SER 52 Ca 0.31 -0.38 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 1wff h SER 52 Cb 1.65 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.50 1wff h SER 52 CO -0.00 1.31 -0.00 1.41 -0.53 0.00 0.00 176.83 179.01 1wff n HIS 53 N -3.43 0.95 0.30 2.24 -0.00 0.18 -4.57 115.22 110.90 1wff n HIS 53 Ca -0.11 -0.97 0.16 0.00 -0.00 0.00 0.00 57.72 56.81 1wff n HIS 53 Cb 1.02 -0.33 0.68 0.00 -0.00 0.00 0.00 29.99 31.35 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 1.65 0.00 -6.69 -0.41 0.11 0.25 -3.40 114.38 105.88 1wff h ARG 54 Ca 0.03 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 59.61 1wff h ARG 54 Cb 1.47 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.52 1wff h ARG 54 CO 0.24 0.00 0.14 0.71 0.10 0.00 0.00 179.97 181.16 1wff s TYR 55 N -3.62 3.52 0.08 4.08 1.51 -1.26 -4.71 117.35 116.95 1wff s TYR 55 Ca 0.01 1.37 -0.33 0.00 -1.01 0.00 0.00 57.07 57.12 1wff s TYR 55 Cb 0.09 -2.63 -0.16 0.00 -0.11 0.00 0.00 41.96 39.15 1wff s TYR 55 CO 0.50 0.20 1.61 0.00 -1.11 0.00 0.00 175.55 176.75 1wff h ALA 56 N 2.82 -0.88 -0.85 3.71 0.00 -1.96 -2.71 119.26 119.39 1wff h ALA 56 Ca -0.48 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.38 1wff h ALA 56 Cb 1.18 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 19.37 1wff h ALA 56 CO 0.65 -1.02 0.48 1.05 0.00 0.00 0.00 179.25 180.41 1wff h GLU 57 N -0.85 0.74 -1.03 0.00 4.11 -1.93 0.19 114.58 115.80 1wff h GLU 57 Ca -0.06 -0.04 0.33 0.00 0.07 0.00 0.00 59.36 59.66 1wff h GLU 57 Cb 0.72 -0.17 -0.15 0.00 0.50 0.00 0.00 28.75 29.65 1wff h GLU 57 CO 0.03 0.49 0.60 0.00 0.07 0.00 0.00 179.01 180.19 1wff h ALA 58 N 1.50 2.05 -0.52 1.06 0.00 -1.81 0.20 119.26 121.73 1wff h ALA 58 Ca 0.43 0.18 -0.38 0.00 0.00 0.00 0.00 54.91 55.14 1wff h ALA 58 Cb 0.47 0.16 -0.30 0.00 0.00 0.00 0.00 17.79 18.12 1wff h ALA 58 CO -0.29 -0.66 -0.71 -2.39 0.00 0.00 0.00 179.25 175.21 1wff n HIS 59 N -5.01 1.92 -3.95 0.00 1.44 -0.45 -4.98 115.22 104.19 1wff n HIS 59 Ca 0.32 -2.01 -0.30 0.00 -2.01 0.00 0.00 57.72 53.73 1wff n HIS 59 Cb 1.03 -0.32 -0.04 0.00 0.12 0.00 0.00 29.99 30.79 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 -0.84 -0.34 2.94 -1.39 0.00 0.72 -4.74 105.19 101.55 1wff n GLY 60 Ca 0.37 0.19 -0.35 0.00 0.00 0.00 0.00 46.02 46.22 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 2.36 0.99 -4.44 0.00 6.94 -1.26 -4.97 115.26 114.87 1wff n ASN 62 Ca 0.06 -0.03 -0.41 0.00 -0.02 0.00 0.00 54.58 54.18 1wff n ASN 62 Cb 0.44 0.64 0.01 0.00 -2.36 0.00 0.00 39.78 38.51 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 -2.77 -0.65 -2.43 -2.53 9.36 -1.26 -4.81 117.16 112.07 1wff n TYR 63 Ca -0.32 0.60 -0.39 0.00 3.32 0.00 0.00 57.90 61.11 1wff n TYR 63 Cb 1.04 -1.97 -0.03 0.00 -0.63 0.00 0.00 39.34 37.75 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 -0.96 6.04 -0.63 2.98 2.15 -1.26 -4.91 116.67 120.07 1wff s ASP 64 Ca 0.63 -0.69 -0.38 0.00 0.43 0.00 0.00 52.55 52.54 1wff s ASP 64 Cb -0.60 -2.56 -0.18 0.00 -0.30 0.00 0.00 42.92 39.28 1wff s ASP 64 CO 0.58 -1.90 2.33 -1.22 -0.17 0.00 0.00 175.17 174.79 1wff n TYR 65 N 10.17 1.04 -3.73 -5.34 4.01 -1.26 -4.89 117.16 117.17 1wff n TYR 65 Ca 0.19 0.56 -0.12 0.00 -0.16 0.00 0.00 57.90 58.37 1wff n TYR 65 Cb 0.50 -2.36 -0.12 0.00 -0.31 0.00 0.00 39.34 37.04 1wff n TYR 65 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1wff s LYS 66 N 7.04 0.26 -0.98 -0.72 -0.14 -1.26 -4.84 119.74 119.09 1wff s LYS 66 Ca 1.23 0.54 -0.06 0.00 -1.36 0.00 0.00 55.97 56.32 1wff s LYS 66 Cb -1.29 -0.05 0.01 0.00 -1.68 0.00 0.00 37.83 34.82 1wff s LYS 66 CO 0.57 -0.14 0.85 0.45 -0.76 0.00 0.00 175.35 176.33 1wff n SER 67 N 3.96 -4.82 -3.83 2.83 2.88 -1.26 -4.99 113.62 108.39 1wff n SER 67 Ca -0.22 -0.40 -0.30 0.00 -1.33 0.00 0.00 58.87 56.62 1wff n SER 67 Cb 0.54 -3.83 -0.13 0.00 -0.75 0.00 0.00 64.21 60.04 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 -3.24 2.73 0.00 -1.46 0.00 -1.26 -4.93 121.76 113.60 1wff s ALA 68 Ca 0.38 -2.94 0.00 0.00 0.00 0.00 0.00 51.96 49.40 1wff s ALA 68 Cb -0.17 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 20.93 1wff s ALA 68 CO 0.53 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.66 1wff n GLY 69 N 3.31 2.11 3.25 0.00 0.00 -1.26 -4.83 105.19 107.77 1wff n GLY 69 Ca 0.07 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 1.05 0.88 1.61 3.52 -1.26 -5.14 118.95 119.62 1wff s ARG 70 Ca 0.00 -1.27 -0.10 0.00 -0.13 0.00 0.00 55.73 54.23 1wff s ARG 70 Cb 0.00 -0.95 0.13 0.00 -1.56 0.00 0.00 34.95 32.57 1wff s ARG 70 CO 0.00 0.18 1.12 -0.98 -0.81 0.00 0.00 175.30 174.81 1wff s ARG 71 N -2.72 1.29 1.30 5.12 1.70 -1.26 -4.58 118.95 119.81 1wff s ARG 71 Ca 0.10 1.34 -0.21 0.00 -0.47 0.00 0.00 55.73 56.48 1wff s ARG 71 Cb -0.05 -1.77 0.32 0.00 -0.57 0.00 0.00 34.95 32.88 1wff s ARG 71 CO 0.03 -2.37 1.04 -0.47 -1.08 0.00 0.00 175.30 172.46 1wff s TYR 72 N -2.74 -0.08 0.00 5.89 5.04 -1.26 -4.83 117.35 119.37 1wff s TYR 72 Ca 0.65 0.48 -0.03 0.00 -2.44 0.00 0.00 57.07 55.73 1wff s TYR 72 Cb -0.21 -3.26 -0.14 0.00 0.35 0.00 0.00 41.96 38.70 1wff s TYR 72 CO 0.58 -4.38 2.63 1.28 -1.34 0.00 0.00 175.55 174.32 1wff n LEU 73 N -5.14 4.73 -3.48 6.97 4.77 -1.26 -4.65 117.00 118.94 1wff n LEU 73 Ca 0.14 -2.57 -0.20 0.00 -0.03 0.00 0.00 56.01 53.35 1wff n LEU 73 Cb 0.60 -1.16 0.06 0.00 -2.33 0.00 0.00 43.42 40.59 1wff n LEU 73 CO 0.43 1.22 0.01 1.21 -1.33 0.00 0.00 177.39 178.92 1wff n GLU 74 N 2.11 -3.83 -2.07 3.23 2.13 -1.26 -5.00 120.64 115.96 1wff n GLU 74 Ca 0.22 0.73 -0.28 0.00 0.66 0.00 0.00 57.16 58.48 1wff n GLU 74 Cb 0.66 -5.39 0.16 0.00 0.27 0.00 0.00 31.44 27.13 1wff n GLU 74 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1wff s GLU 75 N -5.30 1.01 -0.06 5.31 -1.05 -1.26 -5.01 118.70 112.34 1wff s GLU 75 Ca 0.23 -0.51 -0.30 0.00 -0.15 0.00 0.00 54.97 54.24 1wff s GLU 75 Cb -0.05 -1.96 -0.03 0.00 -0.44 0.00 0.00 34.13 31.65 1wff s GLU 75 CO 0.78 -2.11 1.19 0.00 0.95 0.00 0.00 175.26 176.06 1wff s ALA 76 N -3.69 3.49 0.00 -0.84 0.00 -1.26 -5.02 121.76 114.44 1wff s ALA 76 Ca 0.71 0.60 -0.12 0.00 0.00 0.00 0.00 51.96 53.15 1wff s ALA 76 Cb -0.05 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1wff s ALA 76 CO 0.51 -0.75 0.25 -0.80 0.00 0.00 0.00 175.76 174.96 1wff s ASN 77 N 1.45 -0.10 1.11 0.00 0.01 -1.26 -5.17 114.94 110.98 1wff s ASN 77 Ca 0.55 -0.06 -0.09 0.00 -0.71 0.00 0.00 52.86 52.55 1wff s ASN 77 Cb -0.24 0.28 0.14 0.00 0.41 0.00 0.00 41.25 41.84 1wff s ASN 77 CO 0.22 -0.45 0.49 -0.81 -1.51 0.00 0.00 177.10 175.03 1wff n PRO 78 N 1.21 -1.97 -3.81 -0.60 -0.04 -1.26 -5.03 135.00 123.49 1wff n PRO 78 Ca -0.21 -0.78 -0.36 0.00 -0.04 0.00 0.00 63.50 62.10 1wff n PRO 78 Cb 0.56 -0.73 -0.07 0.00 -0.04 0.00 0.00 33.50 33.23 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 -1.88 5.46 0.18 0.52 -7.23 -1.26 -5.09 120.40 111.10 1wff s VAL 79 Ca 0.32 0.24 -0.10 0.00 -1.81 0.00 0.00 61.98 60.63 1wff s VAL 79 Cb -0.03 -3.44 -0.01 0.00 0.56 0.00 0.00 36.38 33.46 1wff s VAL 79 CO 0.24 0.56 0.32 -0.44 -0.31 0.00 0.00 175.10 175.47 1wff s SER 80 N -0.59 0.01 1.22 4.85 0.01 -1.26 -5.16 113.70 112.77 1wff s SER 80 Ca 0.13 -0.88 -0.18 0.00 1.31 0.00 0.00 55.95 56.34 1wff s SER 80 Cb -0.12 0.46 0.25 0.00 0.21 0.00 0.00 66.02 66.82 1wff s SER 80 CO 0.03 -0.94 0.57 0.61 0.41 0.00 0.00 173.24 173.92 1wff n GLY 81 N -0.25 -2.74 3.65 3.44 0.00 -1.26 -4.86 105.19 103.16 1wff n GLY 81 Ca -0.06 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 -4.11 4.01 -0.34 1.61 0.04 -1.26 -4.98 135.00 129.97 1wff s PRO 82 Ca 0.59 1.84 0.01 0.00 0.04 0.00 0.00 61.00 63.48 1wff s PRO 82 Cb -0.15 -3.97 0.11 0.00 0.04 0.00 0.00 34.50 30.53 1wff s PRO 82 CO 0.58 -1.03 0.11 0.45 0.04 0.00 0.00 177.00 177.16 1wff s SER 83 N 3.49 4.10 0.35 6.66 0.15 -1.26 -5.11 113.70 122.09 1wff s SER 83 Ca 0.69 -1.91 0.05 0.00 0.70 0.00 0.00 55.95 55.48 1wff s SER 83 Cb -0.27 -1.04 -0.03 0.00 -1.71 0.00 0.00 66.02 62.97 1wff s SER 83 CO 0.27 -0.38 0.19 -0.94 1.20 0.00 0.00 173.24 173.57 1wff s SER 84 N 1.27 2.07 0.00 5.45 1.04 -1.26 -5.25 113.70 117.01 1wff s SER 84 Ca 0.11 -1.67 0.00 0.00 0.48 0.00 0.00 55.95 54.87 1wff s SER 84 Cb -0.19 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1wff s SER 84 CO -0.18 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.69