#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 4.11 -0.82 0.00 0.04 -1.26 -4.99 135.00 132.07 1it1 s PRO 2 Ca 0.00 1.64 -0.08 0.00 0.04 0.00 0.00 61.00 62.61 1it1 s PRO 2 Cb 0.00 -2.59 0.21 0.00 0.04 0.00 0.00 34.50 32.16 1it1 s PRO 2 CO 0.00 -0.22 0.73 0.15 0.04 0.00 0.00 177.00 177.70 1it1 s LYS 3 N -2.41 3.34 0.18 4.56 1.02 -1.26 -5.04 119.74 120.12 1it1 s LYS 3 Ca 0.58 -2.75 -0.29 0.00 0.02 0.00 0.00 55.97 53.53 1it1 s LYS 3 Cb -0.26 -4.16 -0.17 0.00 -0.52 0.00 0.00 37.83 32.72 1it1 s LYS 3 CO 0.32 -1.24 0.57 0.00 -0.92 0.00 0.00 175.35 174.08 1it1 n ALA 4 N 3.34 -2.95 -1.74 5.17 0.00 -1.26 -4.89 120.51 118.17 1it1 n ALA 4 Ca 0.15 0.45 -0.31 0.00 0.00 0.00 0.00 53.44 53.73 1it1 n ALA 4 Cb 0.41 -1.61 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 -0.89 3.27 0.55 0.00 0.04 -1.26 -4.99 135.00 131.73 1it1 s PRO 5 Ca 0.66 0.82 -0.21 0.00 0.04 0.00 0.00 61.00 62.31 1it1 s PRO 5 Cb -0.96 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.49 1it1 s PRO 5 CO 0.56 -0.82 1.19 0.00 0.04 0.00 0.00 177.00 177.96 1it1 n ALA 6 N -2.93 0.94 -0.75 8.56 0.00 -1.26 -4.74 120.51 120.34 1it1 n ALA 6 Ca 0.07 0.10 -0.31 0.00 0.00 0.00 0.00 53.44 53.30 1it1 n ALA 6 Cb 0.54 -2.24 0.17 0.00 0.00 0.00 0.00 19.45 17.92 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 -1.02 2.79 0.00 0.00 1.01 -1.26 -4.09 116.67 114.10 1it1 s ASP 7 Ca 0.73 2.02 0.00 0.00 0.71 0.00 0.00 52.55 56.01 1it1 s ASP 7 Cb -0.43 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 40.99 1it1 s ASP 7 CO 0.49 -3.15 0.00 0.61 0.21 0.00 0.00 175.17 173.32 1it1 n GLY 8 N 0.10 0.98 2.82 0.21 0.00 -1.22 -4.92 105.19 103.16 1it1 n GLY 8 Ca 0.10 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1it1 n GLY 8 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1it1 n LEU 9 N 0.00 0.00 -3.30 0.99 0.00 -0.99 -4.72 117.00 108.97 1it1 n LEU 9 Ca 0.00 -0.73 -0.07 0.00 0.00 0.00 0.00 56.01 55.21 1it1 n LEU 9 Cb 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 43.42 42.50 1it1 n LEU 9 CO 0.00 -2.66 -0.02 -0.54 0.00 0.00 0.00 177.39 174.17 1it1 s LYS 10 N -4.65 0.40 -0.74 1.96 1.02 -1.26 -2.57 119.74 113.90 1it1 s LYS 10 Ca 0.56 0.50 -0.26 0.00 0.02 0.00 0.00 55.97 56.79 1it1 s LYS 10 Cb -0.10 -0.26 0.03 0.00 -0.52 0.00 0.00 37.83 36.98 1it1 s LYS 10 CO 0.47 -0.75 1.25 -1.64 -0.92 0.00 0.00 175.35 173.76 1it1 s MET 11 N 2.60 3.20 -0.20 1.68 -1.94 0.71 -4.80 119.30 120.54 1it1 s MET 11 Ca 0.13 -0.33 0.16 0.00 -1.71 0.00 0.00 55.69 53.93 1it1 s MET 11 Cb -0.14 -4.23 0.58 0.00 2.01 0.00 0.00 34.83 33.04 1it1 s MET 11 CO -0.20 -2.12 1.49 -0.40 -0.01 0.00 0.00 175.02 173.77 1it1 n ASP 12 N 9.19 4.07 0.17 3.03 5.68 -1.26 -0.50 116.55 136.93 1it1 n ASP 12 Ca 0.03 -3.07 0.16 0.00 -0.50 0.00 0.00 54.79 51.42 1it1 n ASP 12 Cb 0.49 -0.58 0.77 0.00 -1.14 0.00 0.00 41.12 40.65 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 2.05 0.00 -5.60 0.11 1.79 -1.92 -3.43 116.57 109.58 1it1 h LYS 13 Ca 0.03 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.87 1it1 h LYS 13 Cb 1.57 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 32.14 1it1 h LYS 13 CO 0.29 0.00 -0.40 0.95 -1.08 0.00 0.00 179.45 179.21 1it1 s THR 14 N -4.80 1.44 0.34 -0.16 -4.23 -1.26 -4.97 115.64 102.00 1it1 s THR 14 Ca -0.05 -1.72 0.30 0.00 -1.18 0.00 0.00 61.69 59.04 1it1 s THR 14 Cb 0.17 -2.17 0.32 0.00 1.34 0.00 0.00 72.50 72.16 1it1 s THR 14 CO 0.61 0.00 2.05 0.11 -0.54 0.00 0.00 174.62 176.85 1it1 h LYS 15 N 1.03 0.00 -3.53 3.99 1.57 -1.96 -3.31 116.57 114.36 1it1 h LYS 15 Ca -0.40 0.00 -0.76 0.00 -1.87 0.00 0.00 60.65 57.62 1it1 h LYS 15 Cb 1.31 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.31 1it1 h LYS 15 CO 0.65 0.11 0.15 -0.65 -0.57 0.00 0.00 179.45 179.14 1it1 s GLN 16 N -4.00 3.67 0.30 3.15 -0.21 -1.26 -5.04 119.66 116.26 1it1 s GLN 16 Ca -0.02 -3.07 -0.29 0.00 0.02 0.00 0.00 55.36 52.00 1it1 s GLN 16 Cb 0.12 -4.27 -0.10 0.00 1.00 0.00 0.00 33.01 29.76 1it1 s GLN 16 CO 0.57 -1.25 1.29 -1.25 -2.12 0.00 0.00 175.29 172.52 1it1 s PRO 17 N -0.97 4.40 -0.00 2.91 0.04 -1.25 -4.90 135.00 135.23 1it1 s PRO 17 Ca 0.26 2.14 0.06 0.00 0.04 0.00 0.00 61.00 63.51 1it1 s PRO 17 Cb -0.10 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 1it1 s PRO 17 CO -0.09 -0.16 -0.20 0.08 0.04 0.00 0.00 177.00 176.67 1it1 s VAL 18 N -0.85 1.55 -0.14 -0.36 1.01 0.35 -4.87 120.40 117.08 1it1 s VAL 18 Ca 0.50 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 1it1 s VAL 18 Cb -0.38 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1it1 s VAL 18 CO 0.48 0.37 0.49 -0.69 0.00 0.00 0.00 175.10 175.75 1it1 s VAL 19 N -0.54 5.16 -0.28 2.92 1.01 -1.26 0.25 120.40 127.67 1it1 s VAL 19 Ca 0.07 0.95 -0.06 0.00 0.00 0.00 0.00 61.98 62.94 1it1 s VAL 19 Cb -0.08 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1it1 s VAL 19 CO -0.00 0.28 0.06 0.12 0.00 0.00 0.00 175.10 175.56 1it1 s PHE 20 N 0.94 3.13 -0.63 5.22 5.36 -1.06 -4.85 117.98 126.09 1it1 s PHE 20 Ca 0.25 -0.98 -0.20 0.00 -0.96 0.00 0.00 56.93 55.05 1it1 s PHE 20 Cb -0.15 -2.23 0.10 0.00 -0.34 0.00 0.00 43.02 40.40 1it1 s PHE 20 CO 0.10 -0.57 0.78 -0.80 -1.46 0.00 0.00 175.22 173.27 1it1 s ASN 21 N 1.49 6.21 0.49 6.13 0.01 -1.26 -2.34 114.94 125.67 1it1 s ASN 21 Ca 0.03 -1.39 0.29 0.00 -0.71 0.00 0.00 52.86 51.08 1it1 s ASN 21 Cb -0.17 -2.33 1.38 0.00 0.41 0.00 0.00 41.25 40.54 1it1 s ASN 21 CO 0.02 -1.18 1.81 0.45 -1.51 0.00 0.00 177.10 176.69 1it1 h HIS 22 N 9.23 0.24 -0.90 2.20 3.86 -1.85 0.27 115.15 128.19 1it1 h HIS 22 Ca -0.27 0.01 0.20 0.00 -1.16 0.00 0.00 60.37 59.15 1it1 h HIS 22 Cb 1.08 -0.07 -0.11 0.00 1.06 0.00 0.00 27.41 29.37 1it1 h HIS 22 CO 0.88 0.02 0.45 0.66 0.86 0.00 0.00 177.93 180.81 1it1 h SER 23 N 0.14 0.47 0.00 2.45 4.64 -1.90 2.14 113.55 121.50 1it1 h SER 23 Ca 0.54 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 1it1 h SER 23 Cb 1.87 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 64.02 1it1 h SER 23 CO -0.11 0.11 0.00 0.41 -0.87 0.00 0.00 176.83 176.37 1it1 n THR 24 N -4.95 0.00 0.00 2.95 -1.04 0.94 -3.18 114.28 109.00 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 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 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 -0.93 0.00 -0.14 -1.42 8.25 0.59 -4.71 115.22 116.86 1it1 n HIS 25 Ca 0.18 0.00 0.28 0.00 -0.26 0.00 0.00 57.72 57.92 1it1 n HIS 25 Cb 0.08 0.00 0.72 0.00 1.12 0.00 0.00 29.99 31.91 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 0.26 1.96 116.57 119.95 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 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 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 -2.60 2.88 -1.94 3.86 0.00 -1.26 -4.86 120.51 116.59 1it1 n ALA 27 Ca 0.17 -0.26 -0.29 0.00 0.00 0.00 0.00 53.44 53.07 1it1 n ALA 27 Cb 0.97 -1.30 0.16 0.00 0.00 0.00 0.00 19.45 19.29 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 0.66 -4.98 120.40 115.88 1it1 s VAL 28 Ca 0.21 -0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.87 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 0.81 -0.54 0.00 0.00 0.00 175.10 175.91 1it1 s LYS 29 N -5.71 3.23 0.63 2.72 3.01 -1.26 -4.86 119.74 117.49 1it1 s LYS 29 Ca 0.71 -0.57 0.22 0.00 -1.01 0.00 0.00 55.97 55.32 1it1 s LYS 29 Cb -0.05 -4.09 1.01 0.00 -1.01 0.00 0.00 37.83 33.70 1it1 s LYS 29 CO 0.51 -1.40 1.52 0.00 0.51 0.00 0.00 175.35 176.48 1it1 n GLY 31 N -1.51 -1.36 0.09 0.00 0.00 -1.26 -1.53 105.19 99.60 1it1 n GLY 31 Ca 0.09 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 0.17 0.00 1.61 1.82 0.54 -1.08 116.42 119.48 1it1 h ASP 32 Ca 0.00 -0.18 -0.06 0.00 -0.39 0.00 0.00 57.03 56.40 1it1 h ASP 32 Cb 0.67 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 1it1 h ASP 32 CO 0.00 1.11 -0.82 0.00 -1.61 0.00 0.00 179.24 177.92 1it1 n HIS 34 N -4.54 1.34 -0.67 0.00 8.25 -0.58 -4.98 115.22 114.04 1it1 n HIS 34 Ca -0.15 -1.87 -0.24 0.00 -0.26 0.00 0.00 57.72 55.21 1it1 n HIS 34 Cb 0.41 -1.14 0.03 0.00 1.12 0.00 0.00 29.99 30.41 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 0.78 -3.48 -1.84 4.41 1.44 -0.41 -3.49 115.22 112.62 1it1 n HIS 35 Ca 0.36 -0.02 -0.37 0.00 -2.01 0.00 0.00 57.72 55.67 1it1 n HIS 35 Cb 0.59 -0.95 -0.03 0.00 0.12 0.00 0.00 29.99 29.72 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 -1.33 2.40 0.19 -1.40 0.04 -1.26 -3.46 135.00 130.19 1it1 s PRO 36 Ca 0.27 0.92 0.05 0.00 0.04 0.00 0.00 61.00 62.28 1it1 s PRO 36 Cb -0.12 -4.48 -0.04 0.00 0.04 0.00 0.00 34.50 29.91 1it1 s PRO 36 CO 0.55 -2.98 0.19 0.08 0.04 0.00 0.00 177.00 174.88 1it1 s VAL 37 N 10.41 4.64 -0.90 -0.36 1.01 0.19 -4.37 120.40 131.01 1it1 s VAL 37 Ca 0.80 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1it1 s VAL 37 Cb -0.14 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1it1 s VAL 37 CO 0.22 -0.19 0.00 -3.20 0.00 0.00 0.00 175.10 171.94 1it1 n ASN 38 N -0.67 -2.39 0.00 3.32 5.15 -1.26 0.30 115.26 119.72 1it1 n ASN 38 Ca -0.08 0.22 0.00 0.00 -0.60 0.00 0.00 54.58 54.12 1it1 n ASN 38 Cb 0.56 -2.35 0.00 0.00 -0.53 0.00 0.00 39.78 37.45 1it1 n ASN 38 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1it1 n GLY 39 N -0.23 0.96 2.96 8.20 0.00 -1.26 -5.02 105.19 110.80 1it1 n GLY 39 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.68 0.16 -0.27 1.61 -2.85 0.89 -5.01 119.74 113.59 1it1 s LYS 40 Ca 0.00 -0.08 -0.28 0.00 -1.00 0.00 0.00 55.97 54.60 1it1 s LYS 40 Cb 0.00 0.07 -0.03 0.00 -2.06 0.00 0.00 37.83 35.80 1it1 s LYS 40 CO 0.00 -0.03 1.89 -1.21 0.10 0.00 0.00 175.35 176.10 1it1 s GLU 41 N -0.37 3.38 -0.62 1.78 2.02 -1.26 0.52 118.70 124.16 1it1 s GLU 41 Ca -0.04 1.68 -0.26 0.00 0.02 0.00 0.00 54.97 56.36 1it1 s GLU 41 Cb -0.03 -4.22 -0.04 0.00 0.10 0.00 0.00 34.13 29.95 1it1 s GLU 41 CO 0.00 -1.80 2.00 -0.51 0.02 0.00 0.00 175.26 174.97 1it1 s ASP 42 N 6.32 5.04 -1.06 -0.19 1.11 -1.22 -4.82 116.67 121.86 1it1 s ASP 42 Ca 0.85 0.37 -0.08 0.00 0.18 0.00 0.00 52.55 53.86 1it1 s ASP 42 Cb -0.26 -2.53 -0.14 0.00 1.07 0.00 0.00 42.92 41.05 1it1 s ASP 42 CO 0.34 -2.57 3.17 -1.22 1.18 0.00 0.00 175.17 176.08 1it1 n TYR 43 N 13.71 1.60 -4.42 4.23 4.01 -1.26 -4.72 117.16 130.30 1it1 n TYR 43 Ca 0.26 -2.54 -0.21 0.00 -0.16 0.00 0.00 57.90 55.26 1it1 n TYR 43 Cb 0.52 -2.16 -0.11 0.00 -0.31 0.00 0.00 39.34 37.28 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 1.64 1.60 -0.05 -0.72 -2.07 -1.26 -5.05 119.66 113.75 1it1 s GLN 44 Ca 0.68 -1.88 -0.40 0.00 -1.82 0.00 0.00 55.36 51.94 1it1 s GLN 44 Cb 0.23 -0.75 -0.18 0.00 -1.09 0.00 0.00 33.01 31.22 1it1 s GLN 44 CO -0.04 -0.21 1.30 1.63 -1.32 0.00 0.00 175.29 176.65 1it1 n LYS 45 N -0.64 0.56 -0.33 9.60 5.02 -1.26 -4.74 118.16 126.37 1it1 n LYS 45 Ca -0.02 0.20 0.25 0.00 -2.02 0.00 0.00 58.31 56.72 1it1 n LYS 45 Cb 0.67 -1.78 0.47 0.00 -0.02 0.00 0.00 35.03 34.37 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 -2.54 5.76 -1.00 0.00 0.00 -1.26 -2.46 120.51 119.00 1it1 n ALA 47 Ca 0.32 -4.64 0.00 0.00 0.00 0.00 0.00 53.44 49.12 1it1 n ALA 47 Cb 1.06 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.02 0.00 0.15 0.00 -1.04 -0.21 -4.52 114.28 108.64 1it1 n THR 48 Ca 0.43 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.46 1it1 n THR 48 Cb 0.29 0.00 0.15 0.00 -1.82 0.00 0.00 70.33 68.95 1it1 n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1it1 h ALA 49 N -2.01 0.78 -0.86 2.41 0.00 -1.96 -3.32 119.26 114.31 1it1 h ALA 49 Ca 0.00 -0.47 -0.39 0.00 0.00 0.00 0.00 54.91 54.04 1it1 h ALA 49 Cb 0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 17.30 1it1 h ALA 49 CO 0.00 0.65 -1.03 0.41 0.00 0.00 0.00 179.25 179.28 1it1 n GLY 50 N 0.77 3.23 0.00 0.00 0.00 -1.26 -4.89 105.19 103.03 1it1 n GLY 50 Ca 0.01 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 0.11 -1.15 0.00 8.25 -1.03 -4.34 115.22 117.06 1it1 n HIS 52 Ca 0.00 -1.44 -0.08 0.00 -0.26 0.00 0.00 57.72 55.94 1it1 n HIS 52 Cb 0.00 -1.54 0.26 0.00 1.12 0.00 0.00 29.99 29.83 1it1 n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1it1 n ASP 53 N 2.60 4.09 -4.57 0.41 5.75 -1.21 -3.53 116.55 120.10 1it1 n ASP 53 Ca 0.41 -3.38 -0.42 0.00 -0.01 0.00 0.00 54.79 51.39 1it1 n ASP 53 Cb 0.81 -0.72 -0.03 0.00 -1.03 0.00 0.00 41.12 40.15 1it1 n ASP 53 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1it1 s ASN 54 N -1.47 6.29 0.00 -1.12 2.47 -1.20 -4.85 114.94 115.07 1it1 s ASN 54 Ca 0.52 -0.09 0.00 0.00 0.42 0.00 0.00 52.86 53.71 1it1 s ASN 54 Cb 0.43 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.68 1it1 s ASN 54 CO 0.10 -1.65 1.41 0.23 -3.72 0.00 0.00 177.10 173.47 1it1 n MET 55 N 8.84 0.97 -0.00 0.43 2.81 -1.26 -3.31 117.12 125.59 1it1 n MET 55 Ca 0.07 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 56.05 1it1 n MET 55 Cb 0.49 -1.01 -0.13 0.00 -0.71 0.00 0.00 33.22 31.86 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 0.97 0.70 -1.53 7.83 2.03 -1.26 -4.94 116.55 120.34 1it1 n ASP 56 Ca 0.00 -0.54 -0.10 0.00 0.52 0.00 0.00 54.79 54.67 1it1 n ASP 56 Cb 0.49 1.40 -0.04 0.00 -0.72 0.00 0.00 41.12 42.25 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 -1.78 -1.45 0.00 -0.67 5.02 -1.23 -4.59 118.16 113.46 1it1 n LYS 57 Ca 0.00 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 1it1 n LYS 57 Cb 0.40 -4.84 0.00 0.00 -0.02 0.00 0.00 35.03 30.57 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 -1.89 3.35 -1.58 1.97 5.02 -1.26 -4.85 118.16 118.93 1it1 n LYS 58 Ca -0.10 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.77 1it1 n LYS 58 Cb 0.38 -0.68 -0.03 0.00 -0.02 0.00 0.00 35.03 34.68 1it1 n LYS 58 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1it1 n ASP 59 N -0.64 2.90 -0.71 4.39 2.03 -1.26 -4.78 116.55 118.48 1it1 n ASP 59 Ca 0.00 0.01 0.02 0.00 0.52 0.00 0.00 54.79 55.35 1it1 n ASP 59 Cb 0.04 -1.54 0.11 0.00 -0.72 0.00 0.00 41.12 39.00 1it1 n ASP 59 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1it1 n LYS 60 N 8.80 1.88 0.00 -0.67 4.76 -1.26 -4.25 118.16 127.42 1it1 n LYS 60 Ca 0.33 -0.83 0.00 0.00 -2.87 0.00 0.00 58.31 54.94 1it1 n LYS 60 Cb 0.46 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 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 0.15 0.00 -1.91 4.39 2.88 -1.26 -4.97 113.62 112.89 1it1 n SER 61 Ca 0.07 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.67 1it1 n SER 61 Cb 0.40 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 64.25 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 3.98 -0.01 -1.46 0.00 -1.26 -4.17 120.51 114.59 1it1 n ALA 62 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 53.44 51.45 1it1 n ALA 62 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 0.52 5.53 -1.60 0.00 4.81 -1.26 -4.75 118.16 121.41 1it1 n LYS 63 Ca 0.30 -0.05 -0.32 0.00 -0.87 0.00 0.00 58.31 57.37 1it1 n LYS 63 Cb 1.23 -0.50 0.06 0.00 0.02 0.00 0.00 35.03 35.84 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 -0.80 1.86 -0.15 3.14 0.00 -1.26 -3.22 107.32 106.89 1it1 s GLY 64 Ca 0.00 0.30 0.05 0.00 0.00 0.00 0.00 44.72 45.07 1it1 s GLY 64 CO 0.00 0.63 0.24 2.98 0.00 0.00 0.00 173.10 176.95 1it1 n TYR 65 N -2.90 0.65 0.02 1.90 9.36 -1.21 -4.14 117.16 120.84 1it1 n TYR 65 Ca 0.09 0.18 -0.08 0.00 3.32 0.00 0.00 57.90 61.41 1it1 n TYR 65 Cb 0.53 -1.10 -0.13 0.00 -0.63 0.00 0.00 39.34 38.01 1it1 n TYR 65 CO 0.00 0.00 0.00 -0.92 0.22 0.00 0.00 176.86 176.16 1it1 h TYR 66 N 0.02 0.00 0.00 2.98 5.03 -1.87 -3.33 116.97 119.80 1it1 h TYR 66 Ca -0.45 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.86 1it1 h TYR 66 Cb 2.04 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.32 1it1 h TYR 66 CO 0.03 0.98 0.00 1.58 -1.32 0.00 0.00 178.16 179.44 1it1 n HIS 67 N -3.18 0.00 0.22 -3.82 -0.00 -1.26 -0.21 115.22 106.97 1it1 n HIS 67 Ca -0.09 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.21 1it1 n HIS 67 Cb 0.99 -0.44 0.45 0.00 -0.12 0.00 0.00 29.99 30.87 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 1.93 0.07 1.57 0.00 -1.76 0.93 119.26 120.00 1it1 h ALA 68 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1it1 h ALA 68 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1it1 h ALA 68 CO 0.00 -0.84 -1.83 -1.33 0.00 0.00 0.00 179.25 175.25 1it1 n MET 69 N -2.91 0.68 0.04 0.00 2.81 -0.99 -3.50 117.12 113.25 1it1 n MET 69 Ca 0.04 0.36 0.11 0.00 -1.81 0.00 0.00 57.70 56.40 1it1 n MET 69 Cb 0.82 -1.69 -0.08 0.00 -0.71 0.00 0.00 33.22 31.56 1it1 n MET 69 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1it1 n HIS 70 N -3.82 0.40 -2.71 2.03 -0.00 0.71 0.99 115.22 112.82 1it1 n HIS 70 Ca -0.35 0.12 -0.43 0.00 -0.00 0.00 0.00 57.72 57.07 1it1 n HIS 70 Cb 0.91 -0.65 -0.03 0.00 -0.00 0.00 0.00 29.99 30.23 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 -4.72 7.07 0.01 0.41 1.11 0.31 -4.53 116.67 116.34 1it1 s ASP 71 Ca -0.03 1.33 0.00 0.00 0.18 0.00 0.00 52.55 54.03 1it1 s ASP 71 Cb 0.12 -2.52 -0.26 0.00 1.07 0.00 0.00 42.92 41.33 1it1 s ASP 71 CO 0.85 -0.60 0.88 0.07 1.18 0.00 0.00 175.17 177.55 1it1 h LYS 72 N 7.43 0.19 -2.91 8.23 2.10 -1.89 -3.37 116.57 126.35 1it1 h LYS 72 Ca -0.22 -0.32 -0.63 0.00 -2.00 0.00 0.00 60.65 57.48 1it1 h LYS 72 Cb 1.08 0.12 0.02 0.00 -0.90 0.00 0.00 32.23 32.55 1it1 h LYS 72 CO 0.94 1.03 3.50 0.41 -2.00 0.00 0.00 179.45 183.32 1it1 n GLY 73 N 1.62 4.16 3.75 0.07 0.00 -1.26 -4.64 105.19 108.90 1it1 n GLY 73 Ca -0.15 -1.48 -0.22 0.00 0.00 0.00 0.00 46.02 44.16 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 2.03 3.49 0.31 2.61 -4.23 -1.26 -4.99 115.64 113.59 1it1 s THR 74 Ca 0.70 -1.63 0.05 0.00 -1.18 0.00 0.00 61.69 59.63 1it1 s THR 74 Cb 0.19 -3.07 0.39 0.00 1.34 0.00 0.00 72.50 71.36 1it1 s THR 74 CO -0.06 -0.26 1.51 1.17 -0.54 0.00 0.00 174.62 176.45 1it1 n LYS 75 N -1.14 -0.07 -4.63 3.99 3.00 -1.26 -4.55 118.16 113.49 1it1 n LYS 75 Ca -0.04 1.42 -0.29 0.00 -0.00 0.00 0.00 58.31 59.39 1it1 n LYS 75 Cb 0.60 -2.31 -0.08 0.00 0.00 0.00 0.00 35.03 33.24 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 -5.86 1.79 -0.28 5.64 0.08 -1.26 -5.07 117.98 113.02 1it1 s PHE 76 Ca -0.12 -1.18 -0.29 0.00 0.12 0.00 0.00 56.93 55.47 1it1 s PHE 76 Cb 0.29 -1.34 -0.01 0.00 -0.57 0.00 0.00 43.02 41.39 1it1 s PHE 76 CO 0.75 -0.10 1.53 -1.59 -0.10 0.00 0.00 175.22 175.71 1it1 s LYS 77 N -3.77 3.75 1.01 0.44 -2.85 -1.26 -4.93 119.74 112.14 1it1 s LYS 77 Ca 0.14 1.43 -0.17 0.00 -1.00 0.00 0.00 55.97 56.37 1it1 s LYS 77 Cb 0.01 -4.01 0.23 0.00 -2.06 0.00 0.00 37.83 32.00 1it1 s LYS 77 CO 0.09 -1.34 1.34 -1.54 0.10 0.00 0.00 175.35 173.99 1it1 s SER 78 N 4.02 2.65 0.02 0.03 1.04 -1.26 -4.59 113.70 115.60 1it1 s SER 78 Ca 0.67 0.19 -0.11 0.00 0.48 0.00 0.00 55.95 57.18 1it1 s SER 78 Cb -0.21 -0.15 -0.06 0.00 0.10 0.00 0.00 66.02 65.70 1it1 s SER 78 CO 0.29 -3.02 1.16 0.00 0.98 0.00 0.00 173.24 172.65 1it1 h VAL 80 N -0.38 1.12 -0.47 0.00 2.07 0.35 0.15 116.25 119.08 1it1 h VAL 80 Ca -0.04 -1.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.19 1it1 h VAL 80 Cb 0.30 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1it1 h VAL 80 CO 0.06 0.32 -0.13 1.23 0.02 0.00 0.00 177.57 179.08 1it1 h GLY 81 N 1.17 1.00 2.00 2.17 0.00 -1.63 0.16 103.07 107.95 1it1 h GLY 81 Ca -0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 47.33 46.43 1it1 h GLY 81 CO 0.04 0.76 -0.29 0.00 0.00 0.00 0.00 176.54 177.05 1it1 h HIS 83 N 0.00 -0.18 -0.56 0.00 3.86 -0.30 0.83 115.15 118.81 1it1 h HIS 83 Ca -0.00 -0.00 0.15 0.00 -1.16 0.00 0.00 60.37 59.35 1it1 h HIS 83 Cb 1.22 0.06 -0.03 0.00 1.06 0.00 0.00 27.41 29.72 1it1 h HIS 83 CO 0.00 0.25 0.40 1.25 0.86 0.00 0.00 177.93 180.69 1it1 h LEU 84 N -0.91 0.06 0.01 2.43 6.46 -0.79 0.10 115.31 122.67 1it1 h LEU 84 Ca -0.02 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.61 1it1 h LEU 84 Cb 0.51 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 1it1 h LEU 84 CO 0.03 0.03 -0.71 -0.33 -0.62 0.00 0.00 178.44 176.84 1it1 h GLU 85 N 0.07 0.02 0.00 1.25 4.39 -1.51 -2.96 114.58 115.84 1it1 h GLU 85 Ca 0.27 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1it1 h GLU 85 Cb 0.97 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1it1 h GLU 85 CO -0.02 1.02 0.14 1.15 -1.16 0.00 0.00 179.01 180.14 1it1 h THR 86 N -0.93 0.00 0.07 1.13 2.02 0.13 0.01 112.91 115.33 1it1 h THR 86 Ca -0.19 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.66 1it1 h THR 86 Cb 1.21 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 1it1 h THR 86 CO -0.09 0.00 -1.87 0.00 0.37 0.00 0.00 175.52 173.93 1it1 n ALA 87 N -1.83 1.17 -0.95 6.16 0.00 -0.03 -5.00 120.51 120.02 1it1 n ALA 87 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1it1 n ALA 87 Cb 0.19 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1it1 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1it1 n GLY 88 N 1.79 3.85 2.63 0.00 0.00 -0.01 -2.02 105.19 111.43 1it1 n GLY 88 Ca -0.25 0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 12.17 6.39 -3.87 4.61 0.00 -1.26 -4.77 120.51 133.77 1it1 n ALA 89 Ca 0.00 -3.66 -0.29 0.00 0.00 0.00 0.00 53.44 49.49 1it1 n ALA 89 Cb 0.00 -1.91 -0.11 0.00 0.00 0.00 0.00 19.45 17.42 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 -1.08 4.97 0.56 0.00 -1.08 -0.85 -4.92 116.67 114.27 1it1 s ASP 90 Ca 0.56 -3.84 0.30 0.00 -0.52 0.00 0.00 52.55 49.04 1it1 s ASP 90 Cb 0.44 -1.67 1.02 0.00 -1.46 0.00 0.00 42.92 41.26 1it1 s ASP 90 CO -0.25 -0.09 1.27 0.00 0.52 0.00 0.00 175.17 176.62 1it1 n ALA 91 N 2.01 1.12 0.03 3.66 0.00 -1.26 0.33 120.51 126.40 1it1 n ALA 91 Ca 0.20 0.39 -0.20 0.00 0.00 0.00 0.00 53.44 53.83 1it1 n ALA 91 Cb 0.35 -0.67 -0.11 0.00 0.00 0.00 0.00 19.45 19.02 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 0.58 0.12 0.00 0.00 0.00 -1.95 -2.30 119.26 115.71 1it1 h ALA 92 Ca 0.56 -0.67 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1it1 h ALA 92 Cb 2.94 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 20.77 1it1 h ALA 92 CO -0.01 0.63 -0.39 0.87 0.00 0.00 0.00 179.25 180.35 1it1 h LYS 93 N 0.31 0.00 0.00 0.00 1.79 0.50 -2.02 116.57 117.15 1it1 h LYS 93 Ca -0.12 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.27 1it1 h LYS 93 Cb 1.63 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.27 1it1 h LYS 93 CO 0.19 0.39 -0.38 0.87 -1.08 0.00 0.00 179.45 179.43 1it1 h LYS 94 N 0.00 0.00 0.00 3.15 1.57 -0.72 0.16 116.57 120.73 1it1 h LYS 94 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1it1 h LYS 94 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1it1 h LYS 94 CO 0.05 0.38 -0.87 1.57 -0.57 0.00 0.00 179.45 180.01 1it1 h LYS 95 N 0.00 0.00 0.03 3.15 5.09 -1.09 -0.06 116.57 123.69 1it1 h LYS 95 Ca -0.00 0.00 -0.37 0.00 0.09 0.00 0.00 60.65 60.36 1it1 h LYS 95 Cb 1.10 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 33.38 1it1 h LYS 95 CO 0.05 0.00 -2.13 -0.85 -2.09 0.00 0.00 179.45 174.43 1it1 n GLU 96 N -2.56 0.65 -0.01 0.07 0.28 -0.79 -2.32 120.64 115.96 1it1 n GLU 96 Ca 0.01 0.29 -0.01 0.00 -0.16 0.00 0.00 57.16 57.30 1it1 n GLU 96 Cb 0.52 -1.61 -0.00 0.00 1.43 0.00 0.00 31.44 31.78 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 -0.44 -0.03 -0.36 -1.84 3.38 -0.85 0.68 115.31 115.85 1it1 h LEU 97 Ca -0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1it1 h LEU 97 Cb 1.74 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.50 1it1 h LEU 97 CO -0.15 0.23 -0.21 0.35 0.09 0.00 0.00 178.44 178.74 1it1 n THR 98 N -3.53 0.00 -1.68 0.22 -2.24 -1.10 -4.72 114.28 101.23 1it1 n THR 98 Ca -0.00 -0.09 -0.47 0.00 -2.27 0.00 0.00 64.05 61.22 1it1 n THR 98 Cb 0.02 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 1it1 n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1it1 n GLY 99 N 1.33 1.49 0.05 3.38 0.00 -0.05 -4.89 105.19 106.50 1it1 n GLY 99 Ca 0.12 0.81 -0.01 0.00 0.00 0.00 0.00 46.02 46.95 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 -4.35 4.43 -2.17 0.00 4.01 -1.26 -4.22 118.16 114.60 1it1 n LYS 101 Ca -0.01 -3.07 -0.03 0.00 -0.51 0.00 0.00 58.31 54.69 1it1 n LYS 101 Cb 0.03 -2.14 0.06 0.00 -0.51 0.00 0.00 35.03 32.47 1it1 n LYS 101 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1it1 n GLY 102 N 0.53 1.56 0.00 0.72 0.00 -1.26 -5.01 105.19 101.73 1it1 n GLY 102 Ca 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.98 0.00 -0.05 1.61 3.41 -0.98 -4.39 113.62 112.24 1it1 n SER 103 Ca -0.18 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1it1 n SER 103 Cb 0.83 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.63 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 0.80 0.14 4.33 4.76 0.23 -4.22 118.16 124.20 1it1 n LYS 104 Ca 0.00 -0.09 0.03 0.00 -2.87 0.00 0.00 58.31 55.38 1it1 n LYS 104 Cb 0.00 -1.48 0.06 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 3.33 0.00 0.00 8.25 -1.26 -4.58 115.22 117.71 1it1 n HIS 106 Ca 0.02 -3.65 0.00 0.00 -0.26 0.00 0.00 57.72 53.83 1it1 n HIS 106 Cb 0.71 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.47 1it1 n HIS 106 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43