#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 4.42 -0.89 0.00 0.04 -1.26 -4.99 135.00 132.32 1it1 s PRO 2 Ca 0.00 1.78 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1it1 s PRO 2 Cb 0.00 -2.96 0.23 0.00 0.04 0.00 0.00 34.50 31.82 1it1 s PRO 2 CO 0.00 0.01 0.84 0.15 0.04 0.00 0.00 177.00 178.04 1it1 s LYS 3 N -1.84 3.67 0.17 4.56 1.02 -1.26 -5.03 119.74 121.02 1it1 s LYS 3 Ca 0.50 -2.73 -0.30 0.00 0.02 0.00 0.00 55.97 53.46 1it1 s LYS 3 Cb -0.30 -4.38 -0.17 0.00 -0.52 0.00 0.00 37.83 32.45 1it1 s LYS 3 CO 0.39 -1.27 0.61 0.00 -0.92 0.00 0.00 175.35 174.16 1it1 n ALA 4 N 3.48 -3.00 -1.69 5.17 0.00 -1.26 -4.90 120.51 118.32 1it1 n ALA 4 Ca 0.17 0.46 -0.31 0.00 0.00 0.00 0.00 53.44 53.76 1it1 n ALA 4 Cb 0.44 -1.63 0.04 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.84 3.11 0.67 0.00 0.04 -1.26 -5.00 135.00 131.73 1it1 s PRO 5 Ca 0.68 0.83 -0.17 0.00 0.04 0.00 0.00 61.00 62.38 1it1 s PRO 5 Cb -0.98 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 31.53 1it1 s PRO 5 CO 0.56 -0.94 1.05 0.00 0.04 0.00 0.00 177.00 177.71 1it1 n ALA 6 N -3.01 0.24 -0.81 8.56 0.00 -1.26 -4.74 120.51 119.49 1it1 n ALA 6 Ca 0.07 -0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 1it1 n ALA 6 Cb 0.54 -2.17 0.16 0.00 0.00 0.00 0.00 19.45 17.98 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 -1.48 2.97 0.00 0.00 1.01 -1.26 -4.10 116.67 113.81 1it1 s ASP 7 Ca 0.77 1.99 0.00 0.00 0.71 0.00 0.00 52.55 56.02 1it1 s ASP 7 Cb -0.37 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.06 1it1 s ASP 7 CO 0.46 -3.04 0.00 0.61 0.21 0.00 0.00 175.17 173.42 1it1 n GLY 8 N -0.05 1.04 3.70 0.21 0.00 -1.17 -4.91 105.19 104.01 1it1 n GLY 8 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 4.39 -0.38 0.99 0.20 -0.62 -4.63 118.68 118.62 1it1 s LEU 9 Ca 0.00 2.75 -0.15 0.00 0.69 0.00 0.00 54.13 57.41 1it1 s LEU 9 Cb 0.00 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 42.19 1it1 s LEU 9 CO 0.00 -0.97 0.35 -0.54 -0.29 0.00 0.00 176.35 174.90 1it1 s LYS 10 N 2.20 3.27 -0.93 1.98 1.02 -1.26 0.38 119.74 126.40 1it1 s LYS 10 Ca 0.78 -0.71 -0.21 0.00 0.02 0.00 0.00 55.97 55.85 1it1 s LYS 10 Cb -0.46 -3.90 0.09 0.00 -0.52 0.00 0.00 37.83 33.04 1it1 s LYS 10 CO 0.34 -0.66 1.24 -1.64 -0.92 0.00 0.00 175.35 173.71 1it1 s MET 11 N 1.91 3.53 -0.19 1.68 -1.94 0.70 -4.79 119.30 120.20 1it1 s MET 11 Ca 0.09 -1.35 0.16 0.00 -1.71 0.00 0.00 55.69 52.88 1it1 s MET 11 Cb -0.17 -4.98 0.65 0.00 2.01 0.00 0.00 34.83 32.34 1it1 s MET 11 CO 0.12 -1.96 1.56 -0.40 -0.01 0.00 0.00 175.02 174.33 1it1 n ASP 12 N 7.69 4.66 -0.22 3.03 5.68 -1.26 0.07 116.55 136.20 1it1 n ASP 12 Ca 0.23 -2.90 0.31 0.00 -0.50 0.00 0.00 54.79 51.93 1it1 n ASP 12 Cb 0.49 -0.59 0.73 0.00 -1.14 0.00 0.00 41.12 40.62 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 2.86 0.00 0.00 0.11 1.79 -1.91 -3.42 116.57 116.00 1it1 h LYS 13 Ca 0.00 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 1it1 h LYS 13 Cb 1.63 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.27 1it1 h LYS 13 CO 0.32 0.00 -0.04 0.25 -1.08 0.00 0.00 179.45 178.90 1it1 n THR 14 N -4.19 0.00 0.22 -0.16 -2.24 -1.26 -4.94 114.28 101.71 1it1 n THR 14 Ca 0.21 -0.25 0.10 0.00 -2.27 0.00 0.00 64.05 61.84 1it1 n THR 14 Cb 1.06 -0.15 0.41 0.00 -2.10 0.00 0.00 70.33 69.55 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 -3.57 -0.78 6.56 -1.96 -3.35 116.57 113.47 1it1 h LYS 15 Ca -0.04 0.00 -0.77 0.00 -1.06 0.00 0.00 60.65 58.78 1it1 h LYS 15 Cb 0.14 0.00 -0.30 0.00 -0.57 0.00 0.00 32.23 31.50 1it1 h LYS 15 CO 0.07 0.23 0.17 -0.65 -2.06 0.00 0.00 179.45 177.21 1it1 s GLN 16 N -3.55 3.70 0.25 3.15 -0.21 -1.26 -5.04 119.66 116.70 1it1 s GLN 16 Ca 0.01 -3.00 -0.30 0.00 0.02 0.00 0.00 55.36 52.09 1it1 s GLN 16 Cb 0.10 -4.31 -0.10 0.00 1.00 0.00 0.00 33.01 29.70 1it1 s GLN 16 CO 0.64 -1.25 1.35 -1.25 -2.12 0.00 0.00 175.29 172.66 1it1 s PRO 17 N -0.86 4.35 -0.06 2.91 0.04 -1.25 -4.87 135.00 135.26 1it1 s PRO 17 Ca 0.26 2.17 0.04 0.00 0.04 0.00 0.00 61.00 63.51 1it1 s PRO 17 Cb -0.10 -3.14 -0.00 0.00 0.04 0.00 0.00 34.50 31.30 1it1 s PRO 17 CO -0.09 -0.28 -0.19 0.08 0.04 0.00 0.00 177.00 176.56 1it1 s VAL 18 N -0.23 1.62 -0.17 -0.36 1.01 0.11 -4.80 120.40 117.58 1it1 s VAL 18 Ca 0.56 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 61.49 1it1 s VAL 18 Cb -0.39 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1it1 s VAL 18 CO 0.43 0.46 0.80 -0.69 0.00 0.00 0.00 175.10 176.10 1it1 s VAL 19 N 0.14 4.90 -0.33 2.92 1.01 -1.25 0.25 120.40 128.05 1it1 s VAL 19 Ca -0.08 1.57 -0.11 0.00 0.00 0.00 0.00 61.98 63.36 1it1 s VAL 19 Cb -0.14 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 1it1 s VAL 19 CO 0.04 0.04 0.19 0.12 0.00 0.00 0.00 175.10 175.49 1it1 s PHE 20 N 2.07 3.20 -0.65 5.22 5.36 1.20 -4.82 117.98 129.57 1it1 s PHE 20 Ca 0.37 -0.47 -0.20 0.00 -0.96 0.00 0.00 56.93 55.67 1it1 s PHE 20 Cb -0.16 -2.41 0.10 0.00 -0.34 0.00 0.00 43.02 40.21 1it1 s PHE 20 CO 0.12 -0.44 0.81 -0.80 -1.46 0.00 0.00 175.22 173.45 1it1 s ASN 21 N 1.65 6.24 0.46 6.13 -0.87 -1.26 -1.59 114.94 125.69 1it1 s ASN 21 Ca 0.05 -1.42 0.26 0.00 -1.57 0.00 0.00 52.86 50.17 1it1 s ASN 21 Cb -0.17 -2.34 1.29 0.00 -0.02 0.00 0.00 41.25 40.01 1it1 s ASN 21 CO 0.08 -1.18 1.80 0.45 -2.57 0.00 0.00 177.10 175.69 1it1 h HIS 22 N 9.20 0.37 -0.90 2.20 3.86 -1.85 0.25 115.15 128.28 1it1 h HIS 22 Ca -0.24 0.01 0.20 0.00 -1.16 0.00 0.00 60.37 59.18 1it1 h HIS 22 Cb 1.08 -0.11 -0.11 0.00 1.06 0.00 0.00 27.41 29.33 1it1 h HIS 22 CO 0.90 0.04 0.44 1.03 0.86 0.00 0.00 177.93 181.20 1it1 h SER 23 N 0.22 0.45 0.04 2.45 0.87 -1.90 1.95 113.55 117.63 1it1 h SER 23 Ca 0.55 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.24 1it1 h SER 23 Cb 1.74 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.77 1it1 h SER 23 CO -0.16 0.10 0.00 0.41 -0.53 0.00 0.00 176.83 176.64 1it1 n THR 24 N -4.96 0.02 -0.03 2.23 -1.04 0.87 -3.12 114.28 108.25 1it1 n THR 24 Ca 0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1it1 n THR 24 Cb 0.59 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 -1.02 0.00 -0.05 -1.42 8.25 0.54 -4.68 115.22 116.84 1it1 n HIS 25 Ca 0.19 0.00 0.24 0.00 -0.26 0.00 0.00 57.72 57.90 1it1 n HIS 25 Cb 0.10 0.00 0.72 0.00 1.12 0.00 0.00 29.99 31.93 1it1 n HIS 25 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1it1 h LYS 26 N 0.00 0.00 -0.00 -0.41 1.57 0.20 1.74 116.57 119.67 1it1 h LYS 26 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1it1 h LYS 26 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1it1 h LYS 26 CO 0.00 0.00 -0.19 0.00 -0.57 0.00 0.00 179.45 178.69 1it1 n ALA 27 N -2.50 2.89 -1.94 3.86 0.00 -1.26 -4.86 120.51 116.70 1it1 n ALA 27 Ca 0.13 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 53.02 1it1 n ALA 27 Cb 0.82 -1.29 0.16 0.00 0.00 0.00 0.00 19.45 19.14 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 -2.70 2.03 -0.54 0.00 1.01 0.59 -4.99 120.40 115.81 1it1 s VAL 28 Ca 0.22 -0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 1it1 s VAL 28 Cb 0.19 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.70 1it1 s VAL 28 CO 0.54 0.00 0.77 -0.54 0.00 0.00 0.00 175.10 175.87 1it1 s LYS 29 N -5.73 3.20 0.61 2.72 3.01 -1.26 -4.86 119.74 117.43 1it1 s LYS 29 Ca 0.71 -0.67 0.25 0.00 -1.01 0.00 0.00 55.97 55.26 1it1 s LYS 29 Cb -0.05 -4.10 1.13 0.00 -1.01 0.00 0.00 37.83 33.80 1it1 s LYS 29 CO 0.51 -1.38 1.57 0.00 0.51 0.00 0.00 175.35 176.56 1it1 n GLY 31 N -1.56 -1.48 0.12 0.00 0.00 -1.26 -1.32 105.19 99.69 1it1 n GLY 31 Ca 0.12 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 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 0.55 0.00 1.61 1.82 0.56 -0.70 116.42 120.26 1it1 h ASP 32 Ca 0.00 -0.57 -0.11 0.00 -0.39 0.00 0.00 57.03 55.95 1it1 h ASP 32 Cb 0.72 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.53 1it1 h ASP 32 CO 0.00 1.44 -0.85 0.00 -1.61 0.00 0.00 179.24 178.22 1it1 n HIS 34 N -4.53 1.50 -0.61 0.00 8.25 -0.44 -4.99 115.22 114.40 1it1 n HIS 34 Ca -0.19 -1.54 -0.22 0.00 -0.26 0.00 0.00 57.72 55.50 1it1 n HIS 34 Cb 0.46 -0.76 0.02 0.00 1.12 0.00 0.00 29.99 30.83 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 0.03 -2.58 -2.04 4.41 -0.00 -0.27 -2.61 115.22 112.16 1it1 n HIS 35 Ca 0.29 0.09 -0.42 0.00 -0.00 0.00 0.00 57.72 57.67 1it1 n HIS 35 Cb 0.82 -0.86 -0.03 0.00 -0.00 0.00 0.00 29.99 29.93 1it1 n HIS 35 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1it1 s PRO 36 N -1.21 4.20 -0.17 -1.40 0.04 -1.26 -2.96 135.00 132.24 1it1 s PRO 36 Ca 0.24 2.16 0.16 0.00 0.04 0.00 0.00 61.00 63.60 1it1 s PRO 36 Cb -0.06 -3.87 0.70 0.00 0.04 0.00 0.00 34.50 31.30 1it1 s PRO 36 CO 0.48 -0.79 1.61 0.28 0.04 0.00 0.00 177.00 178.62 1it1 n VAL 37 N 5.26 2.24 0.00 -0.36 0.31 -1.15 -4.85 118.33 119.78 1it1 n VAL 37 Ca 0.16 -1.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.08 1it1 n VAL 37 Cb 0.43 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 1it1 n VAL 37 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1it1 n ASN 38 N 0.56 0.00 0.00 4.52 4.05 -1.26 -4.93 115.26 118.20 1it1 n ASN 38 Ca 0.25 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.28 1it1 n ASN 38 Cb 0.98 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.99 1it1 n ASN 38 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1it1 n GLY 39 N 0.00 -0.35 3.62 8.20 0.00 -1.26 -5.05 105.19 110.35 1it1 n GLY 39 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.04 0.84 -0.08 1.61 -2.85 -1.26 -5.08 119.74 112.88 1it1 s LYS 40 Ca 0.00 0.91 -0.30 0.00 -1.00 0.00 0.00 55.97 55.58 1it1 s LYS 40 Cb 0.00 0.41 -0.08 0.00 -2.06 0.00 0.00 37.83 36.10 1it1 s LYS 40 CO 0.00 -0.12 2.06 0.39 0.10 0.00 0.00 175.35 177.78 1it1 n GLU 41 N 2.49 2.42 -1.75 1.78 1.02 -1.26 -2.92 120.64 122.42 1it1 n GLU 41 Ca -0.14 0.82 -0.41 0.00 -0.02 0.00 0.00 57.16 57.41 1it1 n GLU 41 Cb 0.55 -3.03 -0.03 0.00 -0.02 0.00 0.00 31.44 28.92 1it1 n GLU 41 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1it1 s ASP 42 N 5.84 5.32 -1.36 1.62 1.11 -1.07 -4.85 116.67 123.28 1it1 s ASP 42 Ca 0.94 1.37 -0.09 0.00 0.18 0.00 0.00 52.55 54.95 1it1 s ASP 42 Cb -0.45 -2.51 0.11 0.00 1.07 0.00 0.00 42.92 41.13 1it1 s ASP 42 CO 0.41 -2.15 2.20 -1.22 1.18 0.00 0.00 175.17 175.59 1it1 n TYR 43 N 12.39 2.85 -4.19 4.23 4.01 -1.26 -4.67 117.16 130.52 1it1 n TYR 43 Ca 0.28 -2.86 -0.12 0.00 -0.16 0.00 0.00 57.90 55.05 1it1 n TYR 43 Cb 0.48 -2.06 -0.10 0.00 -0.31 0.00 0.00 39.34 37.35 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 0.54 1.12 -0.09 -0.72 -2.07 -1.26 -5.08 119.66 112.10 1it1 s GLN 44 Ca 0.48 -1.57 -0.40 0.00 -1.82 0.00 0.00 55.36 52.05 1it1 s GLN 44 Cb 0.14 0.19 -0.19 0.00 -1.09 0.00 0.00 33.01 32.06 1it1 s GLN 44 CO -0.04 -0.32 1.28 1.63 -1.32 0.00 0.00 175.29 176.51 1it1 n LYS 45 N -0.22 0.37 -0.32 9.60 5.02 -1.26 -4.75 118.16 126.60 1it1 n LYS 45 Ca -0.01 0.14 0.20 0.00 -2.02 0.00 0.00 58.31 56.62 1it1 n LYS 45 Cb 0.65 -1.68 0.40 0.00 -0.02 0.00 0.00 35.03 34.38 1it1 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1it1 n ALA 47 N -2.61 5.81 -1.00 0.00 0.00 -1.26 -0.96 120.51 120.49 1it1 n ALA 47 Ca 0.28 -4.59 0.00 0.00 0.00 0.00 0.00 53.44 49.13 1it1 n ALA 47 Cb 0.91 -1.84 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 -0.15 0.00 0.96 0.00 -1.04 -0.47 -4.36 114.28 109.22 1it1 n THR 48 Ca 0.44 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.57 1it1 n THR 48 Cb 0.29 0.00 0.56 0.00 -1.82 0.00 0.00 70.33 69.37 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 -2.74 2.18 -1.82 2.41 0.00 -1.26 -3.46 120.51 115.82 1it1 n ALA 49 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1it1 n ALA 49 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 1.00 0.04 0.00 0.00 0.00 -1.26 -4.96 105.19 100.02 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 1.33 -0.97 0.00 8.25 -0.13 -4.42 115.22 119.27 1it1 n HIS 52 Ca 0.00 -2.32 0.03 0.00 -0.26 0.00 0.00 57.72 55.16 1it1 n HIS 52 Cb 0.00 -2.05 0.36 0.00 1.12 0.00 0.00 29.99 29.42 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 3.16 5.25 -4.56 0.41 2.03 -1.21 -3.47 116.55 118.17 1it1 n ASP 53 Ca 0.61 -3.05 -0.41 0.00 0.52 0.00 0.00 54.79 52.45 1it1 n ASP 53 Cb 0.50 -0.69 -0.03 0.00 -0.72 0.00 0.00 41.12 40.18 1it1 n ASP 53 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1it1 s ASN 54 N -1.01 6.28 0.00 1.67 2.47 -1.19 -4.84 114.94 118.32 1it1 s ASN 54 Ca 0.54 -0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.59 1it1 s ASN 54 Cb 0.42 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.66 1it1 s ASN 54 CO 0.14 -1.70 0.60 0.23 -3.72 0.00 0.00 177.10 172.66 1it1 n MET 55 N 9.00 0.99 0.20 0.43 2.81 -1.26 -3.65 117.12 125.64 1it1 n MET 55 Ca 0.05 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.07 1it1 n MET 55 Cb 0.49 -1.39 0.24 0.00 -0.71 0.00 0.00 33.22 31.86 1it1 n MET 55 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1it1 h ASP 56 N 0.01 0.00 -0.36 7.83 3.58 -1.99 -3.46 116.42 122.03 1it1 h ASP 56 Ca 0.00 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.30 1it1 h ASP 56 Cb 0.60 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.59 1it1 h ASP 56 CO 0.00 0.00 -0.13 0.29 -2.88 0.00 0.00 179.24 176.52 1it1 n LYS 57 N -2.91 -1.81 0.00 0.28 5.02 -1.24 -4.64 118.16 112.86 1it1 n LYS 57 Ca 0.04 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 1it1 n LYS 57 Cb 0.50 -5.17 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 1it1 n LYS 57 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1it1 n LYS 58 N -0.20 1.13 -1.83 1.97 5.02 -1.26 -4.84 118.16 118.14 1it1 n LYS 58 Ca -0.07 -0.05 -0.39 0.00 -2.02 0.00 0.00 58.31 55.78 1it1 n LYS 58 Cb 0.55 -0.31 -0.03 0.00 -0.02 0.00 0.00 35.03 35.23 1it1 n LYS 58 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1it1 s ASP 59 N -0.17 5.10 -0.12 4.39 -1.08 -1.26 -4.80 116.67 118.72 1it1 s ASP 59 Ca 0.00 0.87 0.03 0.00 -0.52 0.00 0.00 52.55 52.93 1it1 s ASP 59 Cb 0.00 -2.52 0.25 0.00 -1.46 0.00 0.00 42.92 39.19 1it1 s ASP 59 CO 0.00 -2.41 1.14 0.29 0.52 0.00 0.00 175.17 174.71 1it1 n LYS 60 N 8.97 1.81 0.00 4.34 4.76 -1.26 -3.99 118.16 132.79 1it1 n LYS 60 Ca 0.27 -1.03 0.00 0.00 -2.87 0.00 0.00 58.31 54.68 1it1 n LYS 60 Cb 0.52 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 1it1 n LYS 60 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1it1 n SER 61 N 0.06 0.15 -2.03 4.39 2.88 -1.26 -5.00 113.62 112.81 1it1 n SER 61 Ca 0.15 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.64 1it1 n SER 61 Cb 0.76 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 64.53 1it1 n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1it1 n ALA 62 N -3.00 4.60 -0.18 -1.46 0.00 -1.26 -4.18 120.51 115.03 1it1 n ALA 62 Ca 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 53.44 51.11 1it1 n ALA 62 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 -0.11 1.95 -3.31 0.00 3.00 -1.26 -4.78 118.16 113.65 1it1 n LYS 63 Ca 0.41 -0.07 -0.38 0.00 -0.00 0.00 0.00 58.31 58.27 1it1 n LYS 63 Cb 1.40 -0.38 -0.06 0.00 0.00 0.00 0.00 35.03 35.99 1it1 n LYS 63 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1it1 s GLY 64 N -0.30 2.30 0.07 3.14 0.00 -1.26 -3.18 107.32 108.09 1it1 s GLY 64 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 44.72 44.16 1it1 s GLY 64 CO 0.00 0.84 1.47 -1.82 0.00 0.00 0.00 173.10 173.59 1it1 h TYR 65 N 6.93 -1.18 -0.18 1.90 3.20 -1.63 -3.07 116.97 122.95 1it1 h TYR 65 Ca -0.39 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.50 1it1 h TYR 65 Cb 1.17 0.45 -0.02 0.00 1.54 0.00 0.00 36.73 39.87 1it1 h TYR 65 CO 0.64 -0.57 -0.10 0.98 -1.64 0.00 0.00 178.16 177.47 1it1 n TYR 66 N -5.00 -0.08 0.00 -3.82 4.19 -1.26 -0.69 117.16 110.50 1it1 n TYR 66 Ca -0.10 0.22 0.00 0.00 3.31 0.00 0.00 57.90 61.33 1it1 n TYR 66 Cb 0.39 -0.51 0.00 0.00 0.49 0.00 0.00 39.34 39.71 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 -3.39 0.00 0.06 2.98 -0.00 -1.20 0.14 115.22 113.81 1it1 n HIS 67 Ca 0.00 0.00 0.19 0.00 0.46 0.00 0.00 57.72 58.38 1it1 n HIS 67 Cb 0.05 0.00 0.53 0.00 -0.12 0.00 0.00 29.99 30.45 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 -1.94 2.29 0.04 1.57 0.00 -1.44 1.20 119.26 120.98 1it1 h ALA 68 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 1it1 h ALA 68 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1it1 h ALA 68 CO 0.00 -1.06 -1.76 0.52 0.00 0.00 0.00 179.25 176.96 1it1 h MET 69 N 0.00 0.09 0.00 0.00 2.07 0.22 -3.04 114.93 114.27 1it1 h MET 69 Ca 0.24 -0.16 0.00 0.00 -2.07 0.00 0.00 59.70 57.71 1it1 h MET 69 Cb 1.83 0.06 0.00 0.00 -1.87 0.00 0.00 31.60 31.62 1it1 h MET 69 CO -0.00 0.76 -0.48 0.72 1.07 0.00 0.00 176.91 178.97 1it1 n HIS 70 N -3.21 0.00 -2.37 -0.22 -0.00 0.38 -0.16 115.22 109.64 1it1 n HIS 70 Ca -0.21 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.23 1it1 n HIS 70 Cb 1.05 -0.01 0.01 0.00 -0.00 0.00 0.00 29.99 31.04 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 -1.94 6.12 0.00 0.41 1.11 0.39 -4.56 116.67 118.21 1it1 s ASP 71 Ca 0.03 1.03 -0.05 0.00 0.18 0.00 0.00 52.55 53.74 1it1 s ASP 71 Cb 0.07 -2.21 -0.02 0.00 1.07 0.00 0.00 42.92 41.83 1it1 s ASP 71 CO 0.38 -0.76 -0.10 0.29 1.18 0.00 0.00 175.17 176.16 1it1 n LYS 72 N -2.47 0.16 -0.48 8.23 5.02 -1.26 -2.90 118.16 124.46 1it1 n LYS 72 Ca 0.03 0.06 -0.14 0.00 -2.02 0.00 0.00 58.31 56.24 1it1 n LYS 72 Cb 0.55 -0.77 -0.01 0.00 -0.02 0.00 0.00 35.03 34.78 1it1 n LYS 72 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1it1 n GLY 73 N 2.85 2.57 3.88 0.72 0.00 -1.26 -4.52 105.19 109.44 1it1 n GLY 73 Ca -0.06 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 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 3.87 4.43 0.47 2.61 -4.23 -1.26 -4.95 115.64 116.58 1it1 s THR 74 Ca 0.26 -1.25 0.38 0.00 -1.18 0.00 0.00 61.69 59.90 1it1 s THR 74 Cb 0.07 -3.47 0.57 0.00 1.34 0.00 0.00 72.50 71.01 1it1 s THR 74 CO -0.02 -0.29 1.50 1.17 -0.54 0.00 0.00 174.62 176.44 1it1 n LYS 75 N -1.33 -0.02 -4.25 3.99 3.00 -1.26 -4.48 118.16 113.81 1it1 n LYS 75 Ca -0.06 1.14 -0.15 0.00 -0.00 0.00 0.00 58.31 59.24 1it1 n LYS 75 Cb 0.58 -2.39 -0.09 0.00 0.00 0.00 0.00 35.03 33.13 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 -5.03 1.42 -0.22 5.64 0.08 -1.26 -5.08 117.98 113.53 1it1 s PHE 76 Ca -0.06 -1.44 -0.29 0.00 0.12 0.00 0.00 56.93 55.26 1it1 s PHE 76 Cb 0.28 -0.68 -0.03 0.00 -0.57 0.00 0.00 43.02 42.02 1it1 s PHE 76 CO 0.81 -0.66 1.72 -1.59 -0.10 0.00 0.00 175.22 175.40 1it1 s LYS 77 N -3.91 3.70 1.02 0.44 -2.85 -1.26 -4.92 119.74 111.96 1it1 s LYS 77 Ca 0.39 1.72 -0.17 0.00 -1.00 0.00 0.00 55.97 56.91 1it1 s LYS 77 Cb 0.06 -4.10 0.23 0.00 -2.06 0.00 0.00 37.83 31.96 1it1 s LYS 77 CO 0.17 -1.42 1.33 -1.54 0.10 0.00 0.00 175.35 173.99 1it1 s SER 78 N 4.84 2.59 0.01 0.03 1.04 -1.26 -4.60 113.70 116.35 1it1 s SER 78 Ca 0.76 0.20 -0.05 0.00 0.48 0.00 0.00 55.95 57.34 1it1 s SER 78 Cb -0.26 -0.18 -0.03 0.00 0.10 0.00 0.00 66.02 65.65 1it1 s SER 78 CO 0.31 -3.06 1.05 0.00 0.98 0.00 0.00 173.24 172.52 1it1 h VAL 80 N -0.20 0.73 -0.31 0.00 2.07 -0.82 -0.02 116.25 117.71 1it1 h VAL 80 Ca -0.02 -1.08 -0.14 0.00 0.82 0.00 0.00 66.70 66.28 1it1 h VAL 80 Cb 0.15 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1it1 h VAL 80 CO 0.03 0.25 -0.37 1.23 0.02 0.00 0.00 177.57 178.73 1it1 h GLY 81 N 1.59 0.87 2.00 2.17 0.00 -1.42 0.62 103.07 108.90 1it1 h GLY 81 Ca -0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 47.33 46.37 1it1 h GLY 81 CO 0.03 0.83 -0.16 0.00 0.00 0.00 0.00 176.54 177.25 1it1 h HIS 83 N 0.00 -0.25 -0.78 0.00 3.86 -0.69 0.33 115.15 117.62 1it1 h HIS 83 Ca -0.00 -0.01 0.20 0.00 -1.16 0.00 0.00 60.37 59.40 1it1 h HIS 83 Cb 1.04 0.08 -0.04 0.00 1.06 0.00 0.00 27.41 29.55 1it1 h HIS 83 CO 0.00 0.06 0.54 1.25 0.86 0.00 0.00 177.93 180.64 1it1 h LEU 84 N -0.99 0.16 0.11 2.43 6.46 -0.96 0.67 115.31 123.20 1it1 h LEU 84 Ca -0.03 0.01 -0.16 0.00 -0.12 0.00 0.00 57.88 57.59 1it1 h LEU 84 Cb 0.42 -0.02 0.02 0.00 -0.73 0.00 0.00 40.66 40.35 1it1 h LEU 84 CO 0.05 0.07 -0.68 -0.33 -0.62 0.00 0.00 178.44 176.93 1it1 h GLU 85 N 0.17 0.26 0.00 1.25 5.08 -1.50 -1.31 114.58 118.53 1it1 h GLU 85 Ca 0.38 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1it1 h GLU 85 Cb 1.25 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1it1 h GLU 85 CO -0.07 1.20 0.00 2.41 -1.00 0.00 0.00 179.01 181.55 1it1 n THR 86 N -4.20 0.91 -0.16 1.13 -1.04 0.11 -1.62 114.28 109.41 1it1 n THR 86 Ca -0.13 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1it1 n THR 86 Cb 0.76 -1.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 1it1 n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1it1 n ALA 87 N -1.33 1.90 0.18 2.41 0.00 0.09 -4.70 120.51 119.07 1it1 n ALA 87 Ca 0.04 -0.81 0.10 0.00 0.00 0.00 0.00 53.44 52.77 1it1 n ALA 87 Cb 0.08 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.05 1it1 n ALA 87 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1it1 h GLY 88 N 0.00 0.00 0.00 0.00 0.00 -0.26 0.46 103.07 103.28 1it1 h GLY 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1it1 h GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1it1 n ALA 89 N -1.69 2.09 -3.64 3.60 0.00 -1.26 -4.87 120.51 114.74 1it1 n ALA 89 Ca -0.01 -0.64 -0.28 0.00 0.00 0.00 0.00 53.44 52.50 1it1 n ALA 89 Cb 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.35 3.13 0.58 0.00 2.15 0.15 -4.95 116.67 117.38 1it1 s ASP 90 Ca 0.00 -3.19 0.28 0.00 0.43 0.00 0.00 52.55 50.07 1it1 s ASP 90 Cb 0.00 -0.97 0.98 0.00 -0.30 0.00 0.00 42.92 42.62 1it1 s ASP 90 CO 0.00 -0.17 1.28 0.00 -0.17 0.00 0.00 175.17 176.11 1it1 n ALA 91 N 2.76 1.07 0.00 3.66 0.00 -1.26 0.26 120.51 127.01 1it1 n ALA 91 Ca 0.21 0.37 -0.18 0.00 0.00 0.00 0.00 53.44 53.84 1it1 n ALA 91 Cb 0.40 -0.64 -0.10 0.00 0.00 0.00 0.00 19.45 19.11 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 0.56 0.11 0.00 0.00 0.00 -1.92 -3.01 119.26 115.00 1it1 h ALA 92 Ca 0.53 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1it1 h ALA 92 Cb 2.94 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 20.76 1it1 h ALA 92 CO -0.01 0.43 -0.13 0.87 0.00 0.00 0.00 179.25 180.41 1it1 h LYS 93 N 0.05 0.00 0.00 0.00 1.57 0.32 -1.12 116.57 117.38 1it1 h LYS 93 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1it1 h LYS 93 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1it1 h LYS 93 CO 0.13 0.13 0.00 1.63 -0.57 0.00 0.00 179.45 180.78 1it1 n LYS 94 N -3.41 0.31 -0.05 3.15 5.02 -0.34 0.70 118.16 123.54 1it1 n LYS 94 Ca -0.01 0.10 -0.09 0.00 -2.02 0.00 0.00 58.31 56.29 1it1 n LYS 94 Cb 0.31 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 1it1 n LYS 94 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1it1 n LYS 95 N -1.24 0.24 -0.15 1.97 4.81 -0.56 -2.47 118.16 120.75 1it1 n LYS 95 Ca 0.10 0.07 -0.10 0.00 -0.87 0.00 0.00 58.31 57.51 1it1 n LYS 95 Cb 0.13 -1.08 -0.01 0.00 0.02 0.00 0.00 35.03 34.09 1it1 n LYS 95 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1it1 h GLU 96 N -0.14 0.76 0.00 1.64 5.08 -1.13 0.32 114.58 121.12 1it1 h GLU 96 Ca -0.24 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1it1 h GLU 96 Cb 1.31 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1it1 h GLU 96 CO -0.08 0.81 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.49 1it1 h LEU 97 N 0.61 0.00 0.00 1.33 3.38 0.03 0.30 115.31 120.96 1it1 h LEU 97 Ca 0.13 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1it1 h LEU 97 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1it1 h LEU 97 CO 0.02 0.52 -1.15 0.71 0.09 0.00 0.00 178.44 178.62 1it1 h THR 98 N -0.86 0.28 -1.67 0.22 1.35 -1.64 -3.44 112.91 107.15 1it1 h THR 98 Ca 0.00 -1.55 -0.69 0.00 -0.55 0.00 0.00 66.41 63.63 1it1 h THR 98 Cb 0.18 1.82 0.05 0.00 -1.73 0.00 0.00 68.15 68.46 1it1 h THR 98 CO 0.00 0.16 0.55 0.61 -0.25 0.00 0.00 175.52 176.59 1it1 n GLY 99 N 1.29 0.57 0.04 5.82 0.00 0.11 -4.87 105.19 108.15 1it1 n GLY 99 Ca -0.05 0.75 -0.01 0.00 0.00 0.00 0.00 46.02 46.71 1it1 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1it1 s LYS 101 N -1.48 3.60 0.00 0.00 -2.85 -1.26 -3.98 119.74 113.76 1it1 s LYS 101 Ca -0.01 -0.46 0.00 0.00 -1.00 0.00 0.00 55.97 54.50 1it1 s LYS 101 Cb 0.00 -3.78 0.00 0.00 -2.06 0.00 0.00 37.83 31.99 1it1 s LYS 101 CO 0.02 -0.45 0.00 0.41 0.10 0.00 0.00 175.35 175.43 1it1 n GLY 102 N 5.00 0.60 0.00 0.59 0.00 -1.23 -5.08 105.19 105.07 1it1 n GLY 102 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.00 -0.06 1.61 3.41 -1.25 -4.77 113.62 112.56 1it1 n SER 103 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1it1 n SER 103 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 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 0.09 4.33 4.76 0.11 -4.40 118.16 123.88 1it1 n LYS 104 Ca 0.00 -0.08 -0.12 0.00 -2.87 0.00 0.00 58.31 55.24 1it1 n LYS 104 Cb 0.00 -1.47 -0.12 0.00 -1.84 0.00 0.00 35.03 31.60 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 -3.49 3.61 0.34 0.00 8.25 -1.26 -4.50 115.22 118.18 1it1 n HIS 106 Ca -0.05 -4.05 0.03 0.00 -0.26 0.00 0.00 57.72 53.39 1it1 n HIS 106 Cb 0.97 -0.84 0.16 0.00 1.12 0.00 0.00 29.99 31.40 1it1 n HIS 106 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41