#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1it1 s PRO 2 N 0.00 3.74 -0.87 0.00 0.04 -1.26 -4.99 135.00 131.66 1it1 s PRO 2 Ca 0.00 1.59 -0.09 0.00 0.04 0.00 0.00 61.00 62.54 1it1 s PRO 2 Cb 0.00 -2.26 0.22 0.00 0.04 0.00 0.00 34.50 32.50 1it1 s PRO 2 CO 0.00 -0.52 0.79 0.15 0.04 0.00 0.00 177.00 177.46 1it1 s LYS 3 N -2.93 3.52 0.21 4.56 1.02 -1.26 -5.04 119.74 119.82 1it1 s LYS 3 Ca 0.66 -2.77 -0.28 0.00 0.02 0.00 0.00 55.97 53.60 1it1 s LYS 3 Cb -0.23 -4.27 -0.17 0.00 -0.52 0.00 0.00 37.83 32.64 1it1 s LYS 3 CO 0.28 -1.25 0.53 0.00 -0.92 0.00 0.00 175.35 173.98 1it1 n ALA 4 N 3.36 -2.76 -1.81 5.17 0.00 -1.26 -4.90 120.51 118.31 1it1 n ALA 4 Ca 0.16 0.43 -0.31 0.00 0.00 0.00 0.00 53.44 53.72 1it1 n ALA 4 Cb 0.42 -1.62 0.03 0.00 0.00 0.00 0.00 19.45 18.28 1it1 n ALA 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1it1 s PRO 5 N -1.03 3.15 1.28 0.00 0.04 -1.26 -5.03 135.00 132.15 1it1 s PRO 5 Ca 0.64 0.68 -0.18 0.00 0.04 0.00 0.00 61.00 62.18 1it1 s PRO 5 Cb -0.91 -2.04 0.31 0.00 0.04 0.00 0.00 34.50 31.90 1it1 s PRO 5 CO 0.56 -0.88 0.81 0.00 0.04 0.00 0.00 177.00 177.53 1it1 n ALA 6 N -2.94 -3.83 -1.91 8.56 0.00 -1.26 -4.73 120.51 114.39 1it1 n ALA 6 Ca 0.07 -1.50 -0.30 0.00 0.00 0.00 0.00 53.44 51.70 1it1 n ALA 6 Cb 0.55 -1.72 0.01 0.00 0.00 0.00 0.00 19.45 18.29 1it1 n ALA 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1it1 s ASP 7 N -2.54 6.13 0.00 0.00 1.01 -1.26 -4.36 116.67 115.65 1it1 s ASP 7 Ca 0.65 1.33 0.00 0.00 0.71 0.00 0.00 52.55 55.23 1it1 s ASP 7 Cb -0.18 -2.37 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1it1 s ASP 7 CO 0.61 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.69 1it1 n GLY 8 N -2.73 1.18 3.66 0.21 0.00 -1.07 -4.92 105.19 101.53 1it1 n GLY 8 Ca 0.06 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1it1 n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1it1 s LEU 9 N 0.00 4.30 -0.41 0.99 0.20 -0.08 -4.69 118.68 119.00 1it1 s LEU 9 Ca 0.00 2.16 -0.17 0.00 0.69 0.00 0.00 54.13 56.81 1it1 s LEU 9 Cb 0.00 -3.54 0.02 0.00 -0.43 0.00 0.00 46.19 42.24 1it1 s LEU 9 CO 0.00 -0.89 0.41 -0.54 -0.29 0.00 0.00 176.35 175.04 1it1 s LYS 10 N 3.79 3.17 -0.51 1.98 1.02 -1.26 0.27 119.74 128.19 1it1 s LYS 10 Ca 0.70 -0.72 -0.22 0.00 0.02 0.00 0.00 55.97 55.75 1it1 s LYS 10 Cb -0.32 -3.94 0.04 0.00 -0.52 0.00 0.00 37.83 33.10 1it1 s LYS 10 CO 0.27 -0.78 0.79 -1.64 -0.92 0.00 0.00 175.35 173.07 1it1 s MET 11 N 2.07 3.28 -0.15 1.68 -1.94 0.73 -4.87 119.30 120.11 1it1 s MET 11 Ca 0.11 -0.42 0.15 0.00 -1.71 0.00 0.00 55.69 53.83 1it1 s MET 11 Cb -0.17 -4.03 0.50 0.00 2.01 0.00 0.00 34.83 33.13 1it1 s MET 11 CO 0.13 -1.30 1.40 -0.40 -0.01 0.00 0.00 175.02 174.84 1it1 n ASP 12 N 6.84 3.75 -0.21 3.03 5.68 -1.26 -1.36 116.55 133.02 1it1 n ASP 12 Ca -0.01 -2.82 0.31 0.00 -0.50 0.00 0.00 54.79 51.77 1it1 n ASP 12 Cb 0.47 -0.49 0.73 0.00 -1.14 0.00 0.00 41.12 40.69 1it1 n ASP 12 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1it1 h LYS 13 N 1.91 0.00 0.00 0.11 1.79 -1.92 -3.41 116.57 115.04 1it1 h LYS 13 Ca 0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 1it1 h LYS 13 Cb 1.32 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.88 1it1 h LYS 13 CO 0.19 0.00 -0.38 0.25 -1.08 0.00 0.00 179.45 178.43 1it1 n THR 14 N -4.15 0.00 0.26 -0.16 -2.24 -1.26 -4.96 114.28 101.77 1it1 n THR 14 Ca 0.20 -2.20 0.14 0.00 -2.27 0.00 0.00 64.05 59.92 1it1 n THR 14 Cb 1.06 0.26 0.63 0.00 -2.10 0.00 0.00 70.33 70.19 1it1 n THR 14 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1it1 h LYS 15 N 0.00 0.00 -3.55 -0.78 6.56 -1.96 -3.33 116.57 113.50 1it1 h LYS 15 Ca -0.37 0.00 -0.76 0.00 -1.06 0.00 0.00 60.65 58.45 1it1 h LYS 15 Cb 1.21 0.00 -0.30 0.00 -0.57 0.00 0.00 32.23 32.57 1it1 h LYS 15 CO 0.61 0.11 0.17 -0.65 -2.06 0.00 0.00 179.45 177.63 1it1 s GLN 16 N -3.77 3.70 0.20 3.15 1.11 -1.26 -5.04 119.66 117.75 1it1 s GLN 16 Ca -0.00 -3.04 -0.30 0.00 0.01 0.00 0.00 55.36 52.03 1it1 s GLN 16 Cb 0.10 -4.30 -0.09 0.00 -1.01 0.00 0.00 33.01 27.71 1it1 s GLN 16 CO 0.58 -1.25 1.37 -1.25 0.01 0.00 0.00 175.29 174.75 1it1 s PRO 17 N -0.92 4.33 -0.06 2.91 0.04 -1.25 -4.91 135.00 135.14 1it1 s PRO 17 Ca 0.26 2.15 0.05 0.00 0.04 0.00 0.00 61.00 63.51 1it1 s PRO 17 Cb -0.10 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 1it1 s PRO 17 CO -0.09 -0.35 -0.23 0.08 0.04 0.00 0.00 177.00 176.45 1it1 s VAL 18 N 0.25 1.90 -0.41 -0.36 1.01 -0.46 -4.79 120.40 117.54 1it1 s VAL 18 Ca 0.59 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 1it1 s VAL 18 Cb -0.39 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.40 1it1 s VAL 18 CO 0.38 0.53 0.78 -0.69 0.00 0.00 0.00 175.10 176.10 1it1 s VAL 19 N -0.06 4.69 -0.22 2.92 1.01 -1.25 -0.19 120.40 127.29 1it1 s VAL 19 Ca -0.05 0.61 -0.20 0.00 0.00 0.00 0.00 61.98 62.33 1it1 s VAL 19 Cb -0.14 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 1it1 s VAL 19 CO 0.04 -0.60 0.61 0.12 0.00 0.00 0.00 175.10 175.27 1it1 s PHE 20 N 3.21 3.34 -0.62 5.22 5.36 0.75 -4.74 117.98 130.49 1it1 s PHE 20 Ca 0.30 0.85 -0.16 0.00 -0.96 0.00 0.00 56.93 56.97 1it1 s PHE 20 Cb -0.13 -2.79 0.15 0.00 -0.34 0.00 0.00 43.02 39.92 1it1 s PHE 20 CO 0.20 -0.22 0.58 -0.80 -1.46 0.00 0.00 175.22 173.52 1it1 s ASN 21 N 1.31 6.35 0.44 6.13 -0.87 -1.26 -0.90 114.94 126.14 1it1 s ASN 21 Ca 0.27 -2.03 0.24 0.00 -1.57 0.00 0.00 52.86 49.77 1it1 s ASN 21 Cb -0.16 -2.21 1.24 0.00 -0.02 0.00 0.00 41.25 40.09 1it1 s ASN 21 CO 0.09 -0.79 1.80 0.45 -2.57 0.00 0.00 177.10 176.08 1it1 h HIS 22 N 8.60 0.44 -0.87 2.20 3.86 -1.85 0.21 115.15 127.74 1it1 h HIS 22 Ca -0.19 0.02 0.18 0.00 -1.16 0.00 0.00 60.37 59.22 1it1 h HIS 22 Cb 1.08 -0.13 -0.11 0.00 1.06 0.00 0.00 27.41 29.31 1it1 h HIS 22 CO 0.82 0.05 0.40 0.66 0.86 0.00 0.00 177.93 180.72 1it1 h SER 23 N 0.27 0.40 0.53 2.45 4.64 -1.90 2.69 113.55 122.64 1it1 h SER 23 Ca 0.56 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 62.01 1it1 h SER 23 Cb 1.66 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1it1 h SER 23 CO -0.20 0.10 0.00 0.41 -0.87 0.00 0.00 176.83 176.27 1it1 n THR 24 N -4.97 0.46 -0.01 2.95 -1.04 0.71 -2.83 114.28 109.55 1it1 n THR 24 Ca 0.19 0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.32 1it1 n THR 24 Cb 0.55 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 1it1 n THR 24 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1it1 n HIS 25 N -1.38 0.00 0.09 -1.42 8.25 0.50 -4.63 115.22 116.63 1it1 n HIS 25 Ca 0.08 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.74 1it1 n HIS 25 Cb 0.20 0.00 0.74 0.00 1.12 0.00 0.00 29.99 32.05 1it1 n HIS 25 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1it1 h LYS 26 N 0.00 0.00 -0.01 -0.41 2.10 0.41 1.34 116.57 120.00 1it1 h LYS 26 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1it1 h LYS 26 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1it1 h LYS 26 CO 0.00 0.00 -0.27 0.00 -2.00 0.00 0.00 179.45 177.18 1it1 n ALA 27 N -2.34 3.10 -1.94 0.07 0.00 -1.26 -4.89 120.51 113.24 1it1 n ALA 27 Ca 0.07 -0.41 -0.28 0.00 0.00 0.00 0.00 53.44 52.82 1it1 n ALA 27 Cb 0.62 -1.12 0.16 0.00 0.00 0.00 0.00 19.45 19.11 1it1 n ALA 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1it1 s VAL 28 N -2.51 2.04 -0.54 0.00 1.01 0.46 -4.98 120.40 115.88 1it1 s VAL 28 Ca 0.24 -0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.88 1it1 s VAL 28 Cb 0.19 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.70 1it1 s VAL 28 CO 0.52 0.00 0.82 -0.54 0.00 0.00 0.00 175.10 175.90 1it1 s LYS 29 N -5.70 3.23 0.62 2.72 3.01 -1.26 -4.86 119.74 117.50 1it1 s LYS 29 Ca 0.71 -0.55 0.23 0.00 -1.01 0.00 0.00 55.97 55.34 1it1 s LYS 29 Cb -0.05 -4.08 1.00 0.00 -1.01 0.00 0.00 37.83 33.69 1it1 s LYS 29 CO 0.51 -1.40 1.49 0.00 0.51 0.00 0.00 175.35 176.46 1it1 n GLY 31 N -1.55 -1.38 0.10 0.00 0.00 -1.26 -1.54 105.19 99.55 1it1 n GLY 31 Ca 0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 1it1 n GLY 31 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1it1 h ASP 32 N 0.00 0.00 0.00 1.61 1.82 0.52 -0.80 116.42 119.57 1it1 h ASP 32 Ca 0.00 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.54 1it1 h ASP 32 Cb 0.70 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.70 1it1 h ASP 32 CO 0.00 0.76 -1.14 0.00 -1.61 0.00 0.00 179.24 177.26 1it1 n HIS 34 N -4.47 1.34 -0.60 0.00 8.25 -0.59 -4.98 115.22 114.17 1it1 n HIS 34 Ca -0.20 -1.76 -0.21 0.00 -0.26 0.00 0.00 57.72 55.29 1it1 n HIS 34 Cb 0.52 -0.86 0.02 0.00 1.12 0.00 0.00 29.99 30.79 1it1 n HIS 34 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1it1 n HIS 35 N 0.42 -2.68 -1.79 4.41 1.44 -0.31 -3.08 115.22 113.63 1it1 n HIS 35 Ca 0.26 0.04 -0.36 0.00 -2.01 0.00 0.00 57.72 55.66 1it1 n HIS 35 Cb 0.61 -0.84 -0.03 0.00 0.12 0.00 0.00 29.99 29.85 1it1 n HIS 35 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1it1 s PRO 36 N -1.01 2.32 0.22 -1.40 0.04 -1.26 -3.34 135.00 130.57 1it1 s PRO 36 Ca 0.25 0.95 -0.08 0.00 0.04 0.00 0.00 61.00 62.15 1it1 s PRO 36 Cb -0.14 -4.53 -0.07 0.00 0.04 0.00 0.00 34.50 29.80 1it1 s PRO 36 CO 0.45 -3.11 0.52 0.08 0.04 0.00 0.00 177.00 174.98 1it1 s VAL 37 N 10.91 4.98 0.00 -0.36 1.01 0.71 -4.55 120.40 133.11 1it1 s VAL 37 Ca 0.83 0.36 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1it1 s VAL 37 Cb -0.14 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1it1 s VAL 37 CO 0.22 -0.07 0.00 -3.20 0.00 0.00 0.00 175.10 172.05 1it1 n ASN 38 N -0.15 0.00 0.00 3.32 2.85 -1.26 0.36 115.26 120.38 1it1 n ASN 38 Ca -0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1it1 n ASN 38 Cb 0.52 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.54 1it1 n ASN 38 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1it1 n GLY 39 N 0.00 -1.42 3.50 8.20 0.00 -1.26 -5.11 105.19 109.10 1it1 n GLY 39 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1it1 n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1it1 s LYS 40 N 0.00 1.36 -0.38 1.61 -2.85 0.16 -5.06 119.74 114.58 1it1 s LYS 40 Ca 0.00 -0.56 -0.29 0.00 -1.00 0.00 0.00 55.97 54.13 1it1 s LYS 40 Cb 0.00 0.59 0.01 0.00 -2.06 0.00 0.00 37.83 36.37 1it1 s LYS 40 CO 0.00 -0.60 1.37 -1.21 0.10 0.00 0.00 175.35 175.01 1it1 s GLU 41 N -3.77 3.67 -0.59 1.78 2.02 -1.26 0.26 118.70 120.82 1it1 s GLU 41 Ca 0.03 1.01 -0.27 0.00 0.02 0.00 0.00 54.97 55.76 1it1 s GLU 41 Cb -0.02 -3.98 -0.02 0.00 0.10 0.00 0.00 34.13 30.21 1it1 s GLU 41 CO -0.10 -1.44 1.90 -0.51 0.02 0.00 0.00 175.26 175.14 1it1 s ASP 42 N 3.57 5.23 -0.03 -0.19 1.11 -1.18 -4.82 116.67 120.36 1it1 s ASP 42 Ca 0.59 0.43 -0.06 0.00 0.18 0.00 0.00 52.55 53.70 1it1 s ASP 42 Cb -0.14 -2.53 -0.26 0.00 1.07 0.00 0.00 42.92 41.06 1it1 s ASP 42 CO 0.30 -2.39 3.60 -1.22 1.18 0.00 0.00 175.17 176.65 1it1 n TYR 43 N 12.89 0.06 -4.55 4.23 4.01 -1.26 -4.68 117.16 127.86 1it1 n TYR 43 Ca 0.22 -1.53 -0.25 0.00 -0.16 0.00 0.00 57.90 56.17 1it1 n TYR 43 Cb 0.52 -1.61 -0.11 0.00 -0.31 0.00 0.00 39.34 37.84 1it1 n TYR 43 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 1it1 s GLN 44 N 0.96 1.84 0.08 -0.72 -2.07 -1.26 -5.05 119.66 113.44 1it1 s GLN 44 Ca 0.67 -2.04 -0.35 0.00 -1.82 0.00 0.00 55.36 51.82 1it1 s GLN 44 Cb 0.32 -1.26 -0.19 0.00 -1.09 0.00 0.00 33.01 30.80 1it1 s GLN 44 CO -0.01 -0.14 0.86 0.36 -1.32 0.00 0.00 175.29 175.05 1it1 n LYS 45 N -0.86 0.04 -0.35 9.60 2.85 -1.26 -4.76 118.16 123.43 1it1 n LYS 45 Ca -0.05 0.02 0.15 0.00 -1.05 0.00 0.00 58.31 57.38 1it1 n LYS 45 Cb 0.67 -1.32 0.36 0.00 -0.65 0.00 0.00 35.03 34.08 1it1 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1it1 n ALA 47 N -2.34 5.93 -1.00 0.00 0.00 -1.26 0.65 120.51 122.49 1it1 n ALA 47 Ca 0.25 -4.32 0.00 0.00 0.00 0.00 0.00 53.44 49.36 1it1 n ALA 47 Cb 0.66 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1it1 n ALA 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1it1 n THR 48 N -0.40 0.00 0.88 0.00 -1.04 -0.67 -4.18 114.28 108.87 1it1 n THR 48 Ca 0.47 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.58 1it1 n THR 48 Cb 0.35 0.00 0.50 0.00 -1.82 0.00 0.00 70.33 69.36 1it1 n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1it1 n ALA 49 N -2.25 2.05 -1.88 2.41 0.00 -1.26 -3.27 120.51 116.31 1it1 n ALA 49 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1it1 n ALA 49 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1it1 n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1it1 n GLY 50 N 0.62 0.25 0.00 0.00 0.00 -1.26 -4.97 105.19 99.83 1it1 n GLY 50 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1it1 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1it1 n HIS 52 N 0.00 1.26 -1.16 0.00 8.25 0.21 -4.42 115.22 119.36 1it1 n HIS 52 Ca 0.00 -2.27 -0.07 0.00 -0.26 0.00 0.00 57.72 55.11 1it1 n HIS 52 Cb 0.00 -2.02 0.25 0.00 1.12 0.00 0.00 29.99 29.35 1it1 n HIS 52 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1it1 n ASP 53 N 3.14 3.99 -4.57 0.41 -0.08 -1.21 -3.57 116.55 114.67 1it1 n ASP 53 Ca 0.60 -3.39 -0.42 0.00 -1.51 0.00 0.00 54.79 50.06 1it1 n ASP 53 Cb 0.52 -0.72 -0.03 0.00 2.34 0.00 0.00 41.12 43.23 1it1 n ASP 53 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1it1 s ASN 54 N -1.53 6.35 0.00 1.67 2.47 -1.22 -4.84 114.94 117.83 1it1 s ASN 54 Ca 0.52 -0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.77 1it1 s ASN 54 Cb 0.43 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.67 1it1 s ASN 54 CO 0.09 -1.59 0.51 0.23 -3.72 0.00 0.00 177.10 172.62 1it1 n MET 55 N 8.70 0.97 0.01 0.43 2.81 -1.26 -3.27 117.12 125.52 1it1 n MET 55 Ca 0.07 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.08 1it1 n MET 55 Cb 0.49 -1.46 0.16 0.00 -0.71 0.00 0.00 33.22 31.70 1it1 n MET 55 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1it1 n ASP 56 N 0.04 0.60 -1.61 7.83 2.03 -1.26 -4.91 116.55 119.27 1it1 n ASP 56 Ca 0.00 -0.30 -0.06 0.00 0.52 0.00 0.00 54.79 54.96 1it1 n ASP 56 Cb 0.26 0.41 -0.02 0.00 -0.72 0.00 0.00 41.12 41.05 1it1 n ASP 56 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1it1 n LYS 57 N -1.63 -1.63 0.00 -0.67 4.01 -1.22 -4.56 118.16 112.45 1it1 n LYS 57 Ca 0.05 0.32 0.00 0.00 -0.51 0.00 0.00 58.31 58.17 1it1 n LYS 57 Cb 0.36 -4.58 0.00 0.00 -0.51 0.00 0.00 35.03 30.30 1it1 n LYS 57 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1it1 n LYS 58 N -1.81 2.37 -1.74 1.97 4.76 -1.26 -4.92 118.16 117.53 1it1 n LYS 58 Ca -0.06 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.00 1it1 n LYS 58 Cb 0.31 -0.82 -0.03 0.00 -1.84 0.00 0.00 35.03 32.65 1it1 n LYS 58 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1it1 s ASP 59 N -1.79 4.92 -0.01 4.39 2.15 -1.26 -4.78 116.67 120.30 1it1 s ASP 59 Ca 0.00 1.00 0.03 0.00 0.43 0.00 0.00 52.55 54.01 1it1 s ASP 59 Cb 0.00 -2.51 0.11 0.00 -0.30 0.00 0.00 42.92 40.21 1it1 s ASP 59 CO 0.00 -2.52 1.00 0.29 -0.17 0.00 0.00 175.17 173.77 1it1 n LYS 60 N 8.97 1.33 0.00 4.34 4.76 -1.26 -4.04 118.16 132.27 1it1 n LYS 60 Ca 0.30 -0.42 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1it1 n LYS 60 Cb 0.52 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.51 1it1 n LYS 60 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1it1 n SER 61 N -0.11 0.00 -2.15 4.39 7.64 -1.26 -4.94 113.62 117.19 1it1 n SER 61 Ca 0.04 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.74 1it1 n SER 61 Cb 0.16 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.58 1it1 n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1it1 n ALA 62 N -3.00 5.28 -0.07 -0.43 0.00 -1.26 -4.21 120.51 116.82 1it1 n ALA 62 Ca 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 53.44 50.71 1it1 n ALA 62 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1it1 n ALA 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1it1 n LYS 63 N -0.83 2.50 -1.37 0.00 4.81 -1.26 -4.82 118.16 117.19 1it1 n LYS 63 Ca 0.54 -0.02 -0.31 0.00 -0.87 0.00 0.00 58.31 57.64 1it1 n LYS 63 Cb 1.58 -0.26 0.08 0.00 0.02 0.00 0.00 35.03 36.44 1it1 n LYS 63 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1it1 s GLY 64 N -0.36 1.68 -0.05 3.14 0.00 -1.26 -3.30 107.32 107.17 1it1 s GLY 64 Ca 0.00 0.21 0.20 0.00 0.00 0.00 0.00 44.72 45.12 1it1 s GLY 64 CO 0.00 0.54 0.46 2.98 0.00 0.00 0.00 173.10 177.08 1it1 n TYR 65 N -3.38 0.29 0.99 1.90 9.36 -1.20 -4.22 117.16 120.90 1it1 n TYR 65 Ca 0.09 0.09 0.11 0.00 3.32 0.00 0.00 57.90 61.51 1it1 n TYR 65 Cb 0.53 -0.82 0.02 0.00 -0.63 0.00 0.00 39.34 38.44 1it1 n TYR 65 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1it1 n TYR 66 N -2.58 0.00 0.00 2.98 4.19 -1.26 -4.28 117.16 116.20 1it1 n TYR 66 Ca -0.14 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.07 1it1 n TYR 66 Cb 0.82 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.65 1it1 n TYR 66 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 1it1 n HIS 67 N 0.25 0.00 0.31 2.98 -0.00 -1.26 -2.96 115.22 114.55 1it1 n HIS 67 Ca 0.10 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.38 1it1 n HIS 67 Cb 0.49 -0.26 0.52 0.00 -0.12 0.00 0.00 29.99 30.63 1it1 n HIS 67 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1it1 h ALA 68 N -2.00 1.51 0.15 1.57 0.00 -1.82 1.24 119.26 119.90 1it1 h ALA 68 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 1it1 h ALA 68 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1it1 h ALA 68 CO 0.00 -0.51 -1.91 0.52 0.00 0.00 0.00 179.25 177.35 1it1 h MET 69 N 0.00 0.32 0.00 0.00 2.86 -1.75 -3.19 114.93 113.17 1it1 h MET 69 Ca 0.00 -0.54 0.00 0.00 -2.06 0.00 0.00 59.70 57.10 1it1 h MET 69 Cb 1.05 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.92 1it1 h MET 69 CO 0.00 1.26 -1.37 0.72 1.06 0.00 0.00 176.91 178.58 1it1 n HIS 70 N -3.52 0.00 -3.15 -0.22 -0.00 -0.17 0.11 115.22 108.27 1it1 n HIS 70 Ca -0.29 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.04 1it1 n HIS 70 Cb 1.06 -0.22 -0.06 0.00 -0.00 0.00 0.00 29.99 30.77 1it1 n HIS 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1it1 s ASP 71 N -3.44 7.21 0.00 0.41 1.11 0.41 -4.65 116.67 117.72 1it1 s ASP 71 Ca -0.00 1.43 0.00 0.00 0.18 0.00 0.00 52.55 54.16 1it1 s ASP 71 Cb 0.13 -2.42 0.00 0.00 1.07 0.00 0.00 42.92 41.70 1it1 s ASP 71 CO 0.76 0.25 0.00 2.29 1.18 0.00 0.00 175.17 179.64 1it1 n LYS 72 N 1.67 1.70 -1.97 8.23 0.00 -1.26 -4.28 118.16 122.24 1it1 n LYS 72 Ca -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.20 1it1 n LYS 72 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.52 1it1 n LYS 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1it1 n GLY 73 N 5.00 -0.21 3.88 2.58 0.00 -1.26 -4.86 105.19 110.31 1it1 n GLY 73 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1it1 n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1it1 s THR 74 N -1.82 2.94 0.45 2.61 -4.23 -1.26 -4.86 115.64 109.47 1it1 s THR 74 Ca 0.00 0.31 0.35 0.00 -1.18 0.00 0.00 61.69 61.17 1it1 s THR 74 Cb 0.00 -3.26 0.54 0.00 1.34 0.00 0.00 72.50 71.11 1it1 s THR 74 CO 0.00 -0.40 1.48 1.17 -0.54 0.00 0.00 174.62 176.33 1it1 n LYS 75 N -3.18 -0.03 -4.28 3.99 3.00 -1.26 -4.48 118.16 111.92 1it1 n LYS 75 Ca 0.07 1.15 -0.17 0.00 -0.00 0.00 0.00 58.31 59.36 1it1 n LYS 75 Cb 0.58 -2.36 -0.09 0.00 0.00 0.00 0.00 35.03 33.17 1it1 n LYS 75 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1it1 s PHE 76 N -5.06 1.54 -0.24 5.64 0.08 -1.26 -5.08 117.98 113.60 1it1 s PHE 76 Ca -0.06 -1.48 -0.29 0.00 0.12 0.00 0.00 56.93 55.22 1it1 s PHE 76 Cb 0.28 -0.73 -0.03 0.00 -0.57 0.00 0.00 43.02 41.98 1it1 s PHE 76 CO 0.80 -0.67 1.68 -1.59 -0.10 0.00 0.00 175.22 175.34 1it1 s LYS 77 N -3.78 3.68 0.94 0.44 -2.85 -1.26 -4.79 119.74 112.12 1it1 s LYS 77 Ca 0.38 1.63 -0.15 0.00 -1.00 0.00 0.00 55.97 56.83 1it1 s LYS 77 Cb 0.05 -4.09 0.17 0.00 -2.06 0.00 0.00 37.83 31.90 1it1 s LYS 77 CO 0.20 -1.44 1.25 -1.54 0.10 0.00 0.00 175.35 173.92 1it1 s SER 78 N 4.78 3.27 0.01 0.03 1.04 -1.26 -4.59 113.70 116.98 1it1 s SER 78 Ca 0.75 0.48 -0.09 0.00 0.48 0.00 0.00 55.95 57.57 1it1 s SER 78 Cb -0.25 -0.69 -0.05 0.00 0.10 0.00 0.00 66.02 65.13 1it1 s SER 78 CO 0.31 -2.66 1.13 0.00 0.98 0.00 0.00 173.24 173.00 1it1 h VAL 80 N -0.31 0.81 -0.17 0.00 2.07 0.54 0.42 116.25 119.60 1it1 h VAL 80 Ca -0.03 -0.76 -0.14 0.00 0.82 0.00 0.00 66.70 66.58 1it1 h VAL 80 Cb 0.24 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1it1 h VAL 80 CO 0.05 0.19 -0.45 1.23 0.02 0.00 0.00 177.57 178.61 1it1 h GLY 81 N 0.97 0.67 2.00 2.17 0.00 -1.64 0.11 103.07 107.35 1it1 h GLY 81 Ca -0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 47.33 46.42 1it1 h GLY 81 CO 0.03 0.75 -0.33 0.00 0.00 0.00 0.00 176.54 176.98 1it1 h HIS 83 N 0.00 -0.35 -0.92 0.00 3.86 -0.01 0.93 115.15 118.66 1it1 h HIS 83 Ca -0.00 -0.01 0.26 0.00 -1.16 0.00 0.00 60.37 59.46 1it1 h HIS 83 Cb 1.13 0.12 -0.04 0.00 1.06 0.00 0.00 27.41 29.68 1it1 h HIS 83 CO 0.00 -0.20 0.65 1.25 0.86 0.00 0.00 177.93 180.49 1it1 h LEU 84 N -1.09 0.04 0.00 2.43 6.46 -0.88 0.14 115.31 122.40 1it1 h LEU 84 Ca -0.04 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.63 1it1 h LEU 84 Cb 0.32 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1it1 h LEU 84 CO 0.06 0.01 -0.56 -0.33 -0.62 0.00 0.00 178.44 177.01 1it1 h GLU 85 N 0.04 0.00 0.00 1.25 4.39 -1.50 -2.90 114.58 115.86 1it1 h GLU 85 Ca 0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.14 1it1 h GLU 85 Cb 1.70 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.35 1it1 h GLU 85 CO -0.02 0.83 0.20 1.15 -1.16 0.00 0.00 179.01 180.00 1it1 h THR 86 N -1.00 0.00 0.08 1.13 2.02 0.18 0.55 112.91 115.87 1it1 h THR 86 Ca -0.14 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.71 1it1 h THR 86 Cb 0.99 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 1it1 h THR 86 CO -0.09 0.00 -1.82 0.00 0.37 0.00 0.00 175.52 173.98 1it1 h ALA 87 N 1.57 0.54 -0.94 6.16 0.00 -0.84 -3.49 119.26 122.26 1it1 h ALA 87 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 54.91 53.53 1it1 h ALA 87 Cb 0.39 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1it1 h ALA 87 CO 0.00 1.39 0.00 0.41 0.00 0.00 0.00 179.25 181.05 1it1 n GLY 88 N 1.78 3.54 2.58 0.00 0.00 0.18 -2.10 105.19 111.18 1it1 n GLY 88 Ca -0.24 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 1it1 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1it1 n ALA 89 N 11.63 6.35 -3.89 4.61 0.00 -1.26 -4.75 120.51 133.20 1it1 n ALA 89 Ca 0.00 -3.38 -0.29 0.00 0.00 0.00 0.00 53.44 49.78 1it1 n ALA 89 Cb 0.00 -1.98 -0.12 0.00 0.00 0.00 0.00 19.45 17.35 1it1 n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1it1 s ASP 90 N -0.43 4.88 0.56 0.00 -1.08 -0.89 -4.92 116.67 114.78 1it1 s ASP 90 Ca 0.54 -3.82 0.32 0.00 -0.52 0.00 0.00 52.55 49.06 1it1 s ASP 90 Cb 0.41 -1.65 1.08 0.00 -1.46 0.00 0.00 42.92 41.29 1it1 s ASP 90 CO -0.26 -0.09 1.30 0.00 0.52 0.00 0.00 175.17 176.64 1it1 n ALA 91 N 2.02 1.19 0.04 3.66 0.00 -1.26 0.32 120.51 126.48 1it1 n ALA 91 Ca 0.19 0.41 -0.20 0.00 0.00 0.00 0.00 53.44 53.84 1it1 n ALA 91 Cb 0.35 -0.71 -0.11 0.00 0.00 0.00 0.00 19.45 18.98 1it1 n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1it1 h ALA 92 N 0.62 0.12 0.00 0.00 0.00 -1.95 -2.39 119.26 115.65 1it1 h ALA 92 Ca 0.59 -0.70 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1it1 h ALA 92 Cb 3.01 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 20.85 1it1 h ALA 92 CO -0.01 0.67 -0.32 0.87 0.00 0.00 0.00 179.25 180.46 1it1 h LYS 93 N 0.37 0.00 0.00 0.00 1.57 0.48 -2.44 116.57 116.55 1it1 h LYS 93 Ca -0.13 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.54 1it1 h LYS 93 Cb 1.70 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.99 1it1 h LYS 93 CO 0.20 0.32 -0.50 -0.22 -0.57 0.00 0.00 179.45 178.69 1it1 h LYS 94 N 0.00 0.00 0.00 3.15 3.64 -0.61 0.13 116.57 122.88 1it1 h LYS 94 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1it1 h LYS 94 Cb 1.01 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1it1 h LYS 94 CO 0.04 0.50 -0.81 1.57 -2.27 0.00 0.00 179.45 178.49 1it1 h LYS 95 N 0.00 0.00 0.06 1.90 5.09 -1.24 0.21 116.57 122.59 1it1 h LYS 95 Ca -0.01 0.00 -0.35 0.00 0.09 0.00 0.00 60.65 60.38 1it1 h LYS 95 Cb 1.20 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.50 1it1 h LYS 95 CO 0.07 0.05 -1.98 -0.85 -2.09 0.00 0.00 179.45 174.65 1it1 n GLU 96 N -2.82 0.68 -0.01 0.07 0.28 -0.94 -2.53 120.64 115.37 1it1 n GLU 96 Ca -0.00 0.31 -0.00 0.00 -0.16 0.00 0.00 57.16 57.31 1it1 n GLU 96 Cb 0.59 -1.66 -0.00 0.00 1.43 0.00 0.00 31.44 31.79 1it1 n GLU 96 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1it1 h LEU 97 N -0.30 -0.02 0.00 -1.84 3.38 -0.90 -0.54 115.31 115.09 1it1 h LEU 97 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1it1 h LEU 97 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1it1 h LEU 97 CO -0.07 0.18 -0.52 0.71 0.09 0.00 0.00 178.44 178.83 1it1 h THR 98 N -0.40 0.00 -1.56 0.22 1.35 -1.63 -3.44 112.91 107.44 1it1 h THR 98 Ca -0.00 -0.71 -0.72 0.00 -0.55 0.00 0.00 66.41 64.43 1it1 h THR 98 Cb 0.02 1.40 0.03 0.00 -1.73 0.00 0.00 68.15 67.87 1it1 h THR 98 CO 0.00 0.00 0.72 0.61 -0.25 0.00 0.00 175.52 176.61 1it1 n GLY 99 N 1.25 0.68 0.05 5.82 0.00 0.71 -4.87 105.19 108.82 1it1 n GLY 99 Ca 0.03 0.85 -0.02 0.00 0.00 0.00 0.00 46.02 46.88 1it1 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1it1 n LYS 101 N -4.07 3.76 -2.68 0.00 5.02 -1.26 -4.19 118.16 114.75 1it1 n LYS 101 Ca -0.03 -2.46 -0.03 0.00 -2.02 0.00 0.00 58.31 53.77 1it1 n LYS 101 Cb 0.12 -1.97 0.13 0.00 -0.02 0.00 0.00 35.03 33.28 1it1 n LYS 101 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1it1 n GLY 102 N 0.72 1.96 0.00 0.72 0.00 -1.26 -5.02 105.19 102.31 1it1 n GLY 102 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1it1 n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1it1 n SER 103 N -1.41 0.00 -0.06 1.61 3.41 -1.05 -4.41 113.62 111.71 1it1 n SER 103 Ca -0.15 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.44 1it1 n SER 103 Cb 0.87 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.68 1it1 n SER 103 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1it1 n LYS 104 N 0.00 0.84 0.14 4.33 4.76 -0.21 -4.33 118.16 123.69 1it1 n LYS 104 Ca 0.00 -0.08 0.03 0.00 -2.87 0.00 0.00 58.31 55.39 1it1 n LYS 104 Cb 0.00 -1.47 0.05 0.00 -1.84 0.00 0.00 35.03 31.77 1it1 n LYS 104 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1it1 n HIS 106 N -3.25 2.63 1.96 0.00 8.25 -1.26 -4.51 115.22 119.04 1it1 n HIS 106 Ca 0.02 -4.16 0.16 0.00 -0.26 0.00 0.00 57.72 53.48 1it1 n HIS 106 Cb 0.72 -0.49 0.92 0.00 1.12 0.00 0.00 29.99 32.26 1it1 n HIS 106 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43