#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 4.44 -0.99 0.00 0.04 -1.26 -4.97 135.00 132.27 1it1 s PRO 2 Ca 0.00 1.85 -0.15 0.00 0.04 0.00 0.00 61.00 62.74 1it1 s PRO 2 Cb 0.00 -3.29 0.18 0.00 0.04 0.00 0.00 34.50 31.43 1it1 s PRO 2 CO 0.00 -0.21 1.10 0.15 0.04 0.00 0.00 177.00 178.08 1it1 s LYS 3 N 0.55 3.79 0.18 4.56 1.02 -1.26 -5.01 119.74 123.59 1it1 s LYS 3 Ca 0.57 -2.33 -0.29 0.00 0.02 0.00 0.00 55.97 53.94 1it1 s LYS 3 Cb -0.32 -4.77 -0.17 0.00 -0.52 0.00 0.00 37.83 32.05 1it1 s LYS 3 CO 0.32 -1.57 0.57 0.00 -0.92 0.00 0.00 175.35 173.75 1it1 n ALA 4 N 5.13 -2.95 -1.73 5.17 0.00 -1.26 -4.90 120.51 119.97 1it1 n ALA 4 Ca 0.24 0.45 -0.31 0.00 0.00 0.00 0.00 53.44 53.83 1it1 n ALA 4 Cb 0.46 -1.62 0.04 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.91 3.03 1.03 0.00 0.04 -1.26 -5.04 135.00 131.89 1it1 s PRO 5 Ca 0.66 0.74 -0.16 0.00 0.04 0.00 0.00 61.00 62.28 1it1 s PRO 5 Cb -0.96 -2.02 0.25 0.00 0.04 0.00 0.00 34.50 31.81 1it1 s PRO 5 CO 0.56 -0.98 0.57 0.00 0.04 0.00 0.00 177.00 177.19 1it1 n ALA 6 N -3.02 -3.47 -2.27 8.56 0.00 -1.26 -4.72 120.51 114.32 1it1 n ALA 6 Ca 0.07 -1.01 -0.26 0.00 0.00 0.00 0.00 53.44 52.24 1it1 n ALA 6 Cb 0.55 -0.09 0.01 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.57 6.05 0.00 0.00 1.01 -1.26 -4.38 116.67 115.52 1it1 s ASP 7 Ca 0.44 0.74 0.00 0.00 0.71 0.00 0.00 52.55 54.44 1it1 s ASP 7 Cb -0.08 -2.00 0.00 0.00 1.01 0.00 0.00 42.92 41.85 1it1 s ASP 7 CO 0.37 -0.68 0.00 0.61 0.21 0.00 0.00 175.17 175.68 1it1 n GLY 8 N -2.26 1.01 3.68 0.21 0.00 -1.15 -4.91 105.19 101.76 1it1 n GLY 8 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 4.05 -4.54 0.99 0.00 -0.58 -4.61 117.00 112.31 1it1 n LEU 9 Ca 0.00 0.96 -0.41 0.00 0.00 0.00 0.00 56.01 56.56 1it1 n LEU 9 Cb 0.00 -1.53 -0.09 0.00 0.00 0.00 0.00 43.42 41.80 1it1 n LEU 9 CO 0.00 0.17 0.10 -0.54 0.00 0.00 0.00 177.39 177.12 1it1 s LYS 10 N 3.35 3.50 -0.67 1.96 1.02 -1.26 0.35 119.74 127.98 1it1 s LYS 10 Ca 0.85 -0.41 -0.22 0.00 0.02 0.00 0.00 55.97 56.21 1it1 s LYS 10 Cb -0.48 -3.83 0.08 0.00 -0.52 0.00 0.00 37.83 33.08 1it1 s LYS 10 CO 0.40 -0.62 0.94 -1.64 -0.92 0.00 0.00 175.35 173.51 1it1 s MET 11 N 2.14 3.14 -0.17 1.68 -1.94 0.49 -4.83 119.30 119.81 1it1 s MET 11 Ca 0.14 -0.98 0.16 0.00 -1.71 0.00 0.00 55.69 53.29 1it1 s MET 11 Cb -0.16 -4.30 0.56 0.00 2.01 0.00 0.00 34.83 32.94 1it1 s MET 11 CO 0.12 -1.78 1.47 -0.40 -0.01 0.00 0.00 175.02 174.42 1it1 n ASP 12 N 7.42 4.12 -0.18 3.03 5.68 -1.26 0.13 116.55 135.49 1it1 n ASP 12 Ca -0.02 -2.90 0.29 0.00 -0.50 0.00 0.00 54.79 51.66 1it1 n ASP 12 Cb 0.45 -0.54 0.72 0.00 -1.14 0.00 0.00 41.12 40.61 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 2.23 0.00 0.00 0.11 1.79 -1.91 -3.42 116.57 115.37 1it1 h LYS 13 Ca 0.00 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.13 1it1 h LYS 13 Cb 1.47 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 32.06 1it1 h LYS 13 CO 0.25 0.00 -0.23 0.25 -1.08 0.00 0.00 179.45 178.64 1it1 n THR 14 N -4.09 0.00 0.24 -0.16 -2.24 -1.26 -4.90 114.28 101.86 1it1 n THR 14 Ca 0.19 -1.24 0.11 0.00 -2.27 0.00 0.00 64.05 60.84 1it1 n THR 14 Cb 1.02 0.13 0.54 0.00 -2.10 0.00 0.00 70.33 69.92 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 -3.56 -0.78 6.56 -1.96 -3.33 116.57 113.49 1it1 h LYS 15 Ca -0.21 0.00 -0.76 0.00 -1.06 0.00 0.00 60.65 58.61 1it1 h LYS 15 Cb 0.67 0.00 -0.30 0.00 -0.57 0.00 0.00 32.23 32.03 1it1 h LYS 15 CO 0.35 0.18 0.15 -0.65 -2.06 0.00 0.00 179.45 177.42 1it1 s GLN 16 N -3.76 3.67 0.21 3.15 -0.21 -1.26 -5.04 119.66 116.41 1it1 s GLN 16 Ca -0.00 -3.00 -0.30 0.00 0.02 0.00 0.00 55.36 52.07 1it1 s GLN 16 Cb 0.11 -4.29 -0.09 0.00 1.00 0.00 0.00 33.01 29.73 1it1 s GLN 16 CO 0.61 -1.25 1.39 -1.25 -2.12 0.00 0.00 175.29 172.67 1it1 s PRO 17 N -0.85 4.32 -0.06 2.91 0.04 -1.25 -4.88 135.00 135.22 1it1 s PRO 17 Ca 0.26 2.18 0.05 0.00 0.04 0.00 0.00 61.00 63.53 1it1 s PRO 17 Cb -0.10 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 1it1 s PRO 17 CO -0.09 -0.36 -0.22 0.08 0.04 0.00 0.00 177.00 176.44 1it1 s VAL 18 N 0.23 1.84 -0.16 -0.36 1.01 0.12 -4.82 120.40 118.27 1it1 s VAL 18 Ca 0.59 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 61.40 1it1 s VAL 18 Cb -0.39 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1it1 s VAL 18 CO 0.39 0.52 0.75 -0.69 0.00 0.00 0.00 175.10 176.07 1it1 s VAL 19 N -0.03 4.95 -0.30 2.92 1.01 -1.25 0.19 120.40 127.88 1it1 s VAL 19 Ca -0.05 1.47 -0.10 0.00 0.00 0.00 0.00 61.98 63.29 1it1 s VAL 19 Cb -0.14 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1it1 s VAL 19 CO 0.04 0.09 0.17 0.12 0.00 0.00 0.00 175.10 175.52 1it1 s PHE 20 N 1.82 3.19 -0.67 5.22 5.36 1.07 -4.81 117.98 129.16 1it1 s PHE 20 Ca 0.35 -0.31 -0.19 0.00 -0.96 0.00 0.00 56.93 55.83 1it1 s PHE 20 Cb -0.17 -2.38 0.11 0.00 -0.34 0.00 0.00 43.02 40.25 1it1 s PHE 20 CO 0.13 -0.36 0.81 -0.80 -1.46 0.00 0.00 175.22 173.54 1it1 s ASN 21 N 1.67 6.29 0.45 6.13 -0.87 -1.26 -1.53 114.94 125.82 1it1 s ASN 21 Ca 0.06 -1.56 0.24 0.00 -1.57 0.00 0.00 52.86 50.02 1it1 s ASN 21 Cb -0.17 -2.33 1.24 0.00 -0.02 0.00 0.00 41.25 39.97 1it1 s ASN 21 CO 0.08 -1.11 1.80 0.45 -2.57 0.00 0.00 177.10 175.75 1it1 h HIS 22 N 9.08 0.44 -0.85 2.20 3.86 -1.85 0.21 115.15 128.24 1it1 h HIS 22 Ca -0.20 0.01 0.18 0.00 -1.16 0.00 0.00 60.37 59.21 1it1 h HIS 22 Cb 1.07 -0.13 -0.11 0.00 1.06 0.00 0.00 27.41 29.30 1it1 h HIS 22 CO 0.92 0.05 0.37 0.77 0.86 0.00 0.00 177.93 180.90 1it1 h SER 23 N 0.27 0.35 0.56 2.45 0.02 -1.89 2.84 113.55 118.16 1it1 h SER 23 Ca 0.56 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.63 1it1 h SER 23 Cb 1.65 0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.29 1it1 h SER 23 CO -0.19 0.08 0.00 0.41 -1.14 0.00 0.00 176.83 175.98 1it1 n THR 24 N -5.00 0.78 -0.00 -2.27 -1.04 0.72 -2.69 114.28 104.78 1it1 n THR 24 Ca 0.19 0.19 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 1it1 n THR 24 Cb 0.53 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 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 -1.48 0.00 0.33 -1.42 8.25 0.51 -4.62 115.22 116.79 1it1 n HIS 25 Ca 0.05 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.66 1it1 n HIS 25 Cb 0.19 0.00 0.79 0.00 1.12 0.00 0.00 29.99 32.10 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 -0.02 -0.41 5.09 0.45 1.33 116.57 123.01 1it1 h LYS 26 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1it1 h LYS 26 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1it1 h LYS 26 CO 0.00 0.00 -0.32 0.00 -2.09 0.00 0.00 179.45 177.04 1it1 n ALA 27 N -1.89 3.21 -1.94 0.07 0.00 -1.26 -4.93 120.51 113.77 1it1 n ALA 27 Ca -0.02 -0.59 -0.29 0.00 0.00 0.00 0.00 53.44 52.55 1it1 n ALA 27 Cb 0.41 -0.89 0.16 0.00 0.00 0.00 0.00 19.45 19.12 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 -2.37 2.03 -0.54 0.00 1.01 0.46 -4.98 120.40 116.01 1it1 s VAL 28 Ca 0.23 -0.11 -0.23 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 33.68 1it1 s VAL 28 CO 0.50 0.00 0.87 -0.54 0.00 0.00 0.00 175.10 175.93 1it1 s LYS 29 N -5.71 3.28 0.62 2.72 3.01 -1.26 -4.86 119.74 117.54 1it1 s LYS 29 Ca 0.71 -0.40 0.23 0.00 -1.01 0.00 0.00 55.97 55.50 1it1 s LYS 29 Cb -0.05 -4.06 1.05 0.00 -1.01 0.00 0.00 37.83 33.75 1it1 s LYS 29 CO 0.51 -1.43 1.52 0.00 0.51 0.00 0.00 175.35 176.46 1it1 n GLY 31 N -1.54 -1.29 0.08 0.00 0.00 -1.26 -1.75 105.19 99.42 1it1 n GLY 31 Ca 0.11 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 0.11 0.00 1.61 1.82 0.51 -1.40 116.42 119.08 1it1 h ASP 32 Ca 0.00 -0.12 -0.10 0.00 -0.39 0.00 0.00 57.03 56.43 1it1 h ASP 32 Cb 0.59 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.55 1it1 h ASP 32 CO 0.00 1.07 -1.00 0.00 -1.61 0.00 0.00 179.24 177.69 1it1 n HIS 34 N -4.50 1.46 -0.66 0.00 8.25 -0.72 -4.99 115.22 114.06 1it1 n HIS 34 Ca -0.19 -1.92 -0.24 0.00 -0.26 0.00 0.00 57.72 55.11 1it1 n HIS 34 Cb 0.48 -1.22 0.02 0.00 1.12 0.00 0.00 29.99 30.39 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 0.77 -3.28 -1.89 4.41 1.44 -0.53 -3.56 115.22 112.59 1it1 n HIS 35 Ca 0.41 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.73 1it1 n HIS 35 Cb 0.59 -0.94 -0.03 0.00 0.12 0.00 0.00 29.99 29.73 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 -1.24 2.67 0.19 -1.40 0.04 -1.26 -3.45 135.00 130.55 1it1 s PRO 36 Ca 0.27 1.06 0.06 0.00 0.04 0.00 0.00 61.00 62.43 1it1 s PRO 36 Cb -0.13 -4.40 -0.04 0.00 0.04 0.00 0.00 34.50 29.97 1it1 s PRO 36 CO 0.53 -2.65 0.15 0.08 0.04 0.00 0.00 177.00 175.15 1it1 s VAL 37 N 9.35 4.42 -0.81 -0.36 1.01 0.18 -4.41 120.40 129.78 1it1 s VAL 37 Ca 0.79 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1it1 s VAL 37 Cb -0.17 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1it1 s VAL 37 CO 0.26 -0.19 0.00 -3.20 0.00 0.00 0.00 175.10 171.96 1it1 n ASN 38 N -0.62 -2.30 0.00 3.32 2.85 -1.26 0.32 115.26 117.57 1it1 n ASN 38 Ca -0.08 0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 1it1 n ASN 38 Cb 0.56 -2.26 0.00 0.00 1.24 0.00 0.00 39.78 39.32 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 -0.28 1.23 2.89 8.20 0.00 -1.26 -5.01 105.19 110.95 1it1 n GLY 39 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.63 0.07 -0.28 1.61 -2.85 0.94 -5.01 119.74 113.59 1it1 s LYS 40 Ca 0.00 -0.06 -0.28 0.00 -1.00 0.00 0.00 55.97 54.63 1it1 s LYS 40 Cb 0.00 -0.05 -0.03 0.00 -2.06 0.00 0.00 37.83 35.69 1it1 s LYS 40 CO 0.00 0.01 1.90 -1.21 0.10 0.00 0.00 175.35 176.16 1it1 s GLU 41 N -0.10 3.35 -0.62 1.78 2.02 -1.26 0.50 118.70 124.37 1it1 s GLU 41 Ca -0.01 1.66 -0.26 0.00 0.02 0.00 0.00 54.97 56.38 1it1 s GLU 41 Cb -0.01 -4.23 -0.05 0.00 0.10 0.00 0.00 34.13 29.94 1it1 s GLU 41 CO -0.00 -1.84 2.08 -0.51 0.02 0.00 0.00 175.26 175.01 1it1 s ASP 42 N 6.47 4.88 -0.46 -0.19 1.11 -1.22 -4.80 116.67 122.46 1it1 s ASP 42 Ca 0.85 0.43 -0.07 0.00 0.18 0.00 0.00 52.55 53.94 1it1 s ASP 42 Cb -0.26 -2.53 -0.20 0.00 1.07 0.00 0.00 42.92 41.00 1it1 s ASP 42 CO 0.34 -2.70 3.39 -1.22 1.18 0.00 0.00 175.17 176.16 1it1 n TYR 43 N 14.35 0.75 -4.53 4.23 4.01 -1.26 -4.72 117.16 129.99 1it1 n TYR 43 Ca 0.30 -1.95 -0.25 0.00 -0.16 0.00 0.00 57.90 55.84 1it1 n TYR 43 Cb 0.52 -1.81 -0.09 0.00 -0.31 0.00 0.00 39.34 37.64 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 1.08 1.88 0.15 -0.72 -2.07 -1.26 -5.03 119.66 113.69 1it1 s GLN 44 Ca 0.67 -2.12 -0.32 0.00 -1.82 0.00 0.00 55.36 51.77 1it1 s GLN 44 Cb 0.29 -0.83 -0.17 0.00 -1.09 0.00 0.00 33.01 31.21 1it1 s GLN 44 CO -0.03 -0.36 0.82 0.36 -1.32 0.00 0.00 175.29 174.75 1it1 n LYS 45 N -0.89 0.33 -0.31 9.60 2.85 -1.26 -4.78 118.16 123.71 1it1 n LYS 45 Ca -0.06 0.12 0.10 0.00 -1.05 0.00 0.00 58.31 57.41 1it1 n LYS 45 Cb 0.66 -1.36 0.31 0.00 -0.65 0.00 0.00 35.03 33.99 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 -2.39 5.95 -0.95 0.00 0.00 -1.26 -0.98 120.51 120.87 1it1 n ALA 47 Ca 0.18 -4.28 -0.01 0.00 0.00 0.00 0.00 53.44 49.33 1it1 n ALA 47 Cb 0.41 -1.53 0.01 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.45 0.00 0.62 0.00 -1.04 -0.89 -4.21 114.28 108.32 1it1 n THR 48 Ca 0.47 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.56 1it1 n THR 48 Cb 0.37 -0.04 0.35 0.00 -1.82 0.00 0.00 70.33 69.18 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 -1.59 1.77 -1.95 2.41 0.00 -1.26 -2.91 120.51 116.98 1it1 n ALA 49 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1it1 n ALA 49 Cb 0.03 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.00 0.54 0.00 0.00 0.00 -1.26 -4.97 105.19 99.50 1it1 n GLY 50 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.21 -0.30 0.00 8.25 -0.15 -4.42 115.22 118.81 1it1 n HIS 52 Ca 0.00 -1.58 0.05 0.00 -0.26 0.00 0.00 57.72 55.93 1it1 n HIS 52 Cb 0.00 -1.63 0.28 0.00 1.12 0.00 0.00 29.99 29.76 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 2.62 4.26 -4.56 0.41 5.75 -1.22 -2.91 116.55 120.91 1it1 n ASP 53 Ca 0.44 -2.63 -0.41 0.00 -0.01 0.00 0.00 54.79 52.18 1it1 n ASP 53 Cb 0.82 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 40.26 1it1 n ASP 53 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1it1 s ASN 54 N -0.54 6.24 0.00 -1.12 -0.87 -1.17 -4.84 114.94 112.64 1it1 s ASN 54 Ca 0.38 -0.27 0.00 0.00 -1.57 0.00 0.00 52.86 51.40 1it1 s ASN 54 Cb 0.29 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.96 1it1 s ASN 54 CO 0.11 -1.73 0.73 0.23 -2.57 0.00 0.00 177.10 173.87 1it1 n MET 55 N 9.09 0.99 0.19 -0.60 2.81 -1.26 -3.58 117.12 124.76 1it1 n MET 55 Ca 0.05 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.06 1it1 n MET 55 Cb 0.49 -1.27 0.25 0.00 -0.71 0.00 0.00 33.22 31.98 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 -0.10 7.83 1.82 -1.99 -3.46 116.42 120.53 1it1 h ASP 56 Ca 0.00 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.60 1it1 h ASP 56 Cb 0.73 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.72 1it1 h ASP 56 CO 0.00 0.00 -0.04 0.29 -1.61 0.00 0.00 179.24 177.88 1it1 n LYS 57 N -2.88 -1.90 0.00 0.28 5.02 -1.24 -4.62 118.16 112.82 1it1 n LYS 57 Ca 0.04 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1it1 n LYS 57 Cb 0.50 -5.02 0.00 0.00 -0.02 0.00 0.00 35.03 30.49 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 0.57 2.44 -1.55 1.97 4.76 -1.26 -4.82 118.16 120.26 1it1 n LYS 58 Ca -0.02 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.05 1it1 n LYS 58 Cb 0.51 -0.18 -0.03 0.00 -1.84 0.00 0.00 35.03 33.49 1it1 n LYS 58 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1it1 n ASP 59 N -0.35 2.40 -1.43 4.39 -0.08 -1.26 -4.78 116.55 115.44 1it1 n ASP 59 Ca 0.00 -0.41 -0.08 0.00 -1.51 0.00 0.00 54.79 52.78 1it1 n ASP 59 Cb 0.00 -1.57 0.06 0.00 2.34 0.00 0.00 41.12 41.95 1it1 n ASP 59 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1it1 n LYS 60 N 8.97 1.43 0.00 -0.67 4.76 -1.26 -4.00 118.16 127.39 1it1 n LYS 60 Ca 0.37 -1.04 0.00 0.00 -2.87 0.00 0.00 58.31 54.77 1it1 n LYS 60 Cb 0.53 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 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 0.86 -1.96 4.39 2.88 -1.26 -5.00 113.62 113.47 1it1 n SER 61 Ca 0.21 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.61 1it1 n SER 61 Cb 0.90 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.57 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 4.76 -0.77 -1.46 0.00 -1.26 -4.06 120.51 114.72 1it1 n ALA 62 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 53.44 51.19 1it1 n ALA 62 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 -0.51 -0.13 -3.76 0.00 4.81 -1.26 -4.76 118.16 112.55 1it1 n LYS 63 Ca 0.44 -0.18 -0.35 0.00 -0.87 0.00 0.00 58.31 57.34 1it1 n LYS 63 Cb 1.39 -0.62 -0.08 0.00 0.02 0.00 0.00 35.03 35.74 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 -0.03 2.02 0.07 3.14 0.00 -1.26 -3.02 107.32 108.24 1it1 s GLY 64 Ca 0.00 -0.71 -0.28 0.00 0.00 0.00 0.00 44.72 43.72 1it1 s GLY 64 CO 0.00 0.15 1.44 -1.82 0.00 0.00 0.00 173.10 172.87 1it1 h TYR 65 N 6.74 -1.11 -0.06 1.90 3.20 -1.58 -2.99 116.97 123.06 1it1 h TYR 65 Ca -0.40 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.48 1it1 h TYR 65 Cb 1.15 0.43 -0.01 0.00 1.54 0.00 0.00 36.73 39.84 1it1 h TYR 65 CO 0.58 -0.54 -0.04 -0.92 -1.64 0.00 0.00 178.16 175.61 1it1 h TYR 66 N -0.81 -0.13 0.00 -3.82 5.03 -1.89 0.88 116.97 116.24 1it1 h TYR 66 Ca -0.05 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.27 1it1 h TYR 66 Cb 0.70 0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.04 1it1 h TYR 66 CO -0.20 -0.03 0.00 1.58 -1.32 0.00 0.00 178.16 178.19 1it1 n HIS 67 N -3.12 0.00 -0.07 -3.82 -0.00 -1.21 0.15 115.22 107.15 1it1 n HIS 67 Ca 0.00 0.00 0.25 0.00 0.46 0.00 0.00 57.72 58.43 1it1 n HIS 67 Cb 0.02 -0.01 0.58 0.00 -0.12 0.00 0.00 29.99 30.46 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 -1.92 2.58 0.03 1.57 0.00 -1.44 1.37 119.26 121.46 1it1 h ALA 68 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 1it1 h ALA 68 Cb 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1it1 h ALA 68 CO 0.00 -1.26 -1.67 0.52 0.00 0.00 0.00 179.25 176.84 1it1 h MET 69 N 0.00 0.07 0.00 0.00 2.07 0.25 -3.12 114.93 114.19 1it1 h MET 69 Ca 0.36 -0.12 0.00 0.00 -2.07 0.00 0.00 59.70 57.87 1it1 h MET 69 Cb 2.10 0.04 0.00 0.00 -1.87 0.00 0.00 31.60 31.88 1it1 h MET 69 CO -0.00 0.72 -0.46 0.72 1.07 0.00 0.00 176.91 178.96 1it1 n HIS 70 N -3.19 0.00 -3.09 -0.22 -0.00 0.40 -0.30 115.22 108.83 1it1 n HIS 70 Ca -0.18 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.22 1it1 n HIS 70 Cb 1.04 -0.01 -0.06 0.00 -0.00 0.00 0.00 29.99 30.96 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 -1.88 6.73 -0.13 0.41 1.11 0.44 -4.56 116.67 118.79 1it1 s ASP 71 Ca 0.03 1.26 -0.13 0.00 0.18 0.00 0.00 52.55 53.89 1it1 s ASP 71 Cb 0.07 -2.36 -0.05 0.00 1.07 0.00 0.00 42.92 41.64 1it1 s ASP 71 CO 0.36 -0.24 -0.26 0.29 1.18 0.00 0.00 175.17 176.50 1it1 n LYS 72 N -0.53 0.40 -0.46 8.23 4.01 -1.26 -3.42 118.16 125.13 1it1 n LYS 72 Ca 0.03 0.16 -0.14 0.00 -0.51 0.00 0.00 58.31 57.86 1it1 n LYS 72 Cb 0.53 -1.20 -0.01 0.00 -0.51 0.00 0.00 35.03 33.84 1it1 n LYS 72 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1it1 n GLY 73 N 1.93 2.55 3.89 0.72 0.00 -1.26 -4.52 105.19 108.51 1it1 n GLY 73 Ca -0.17 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 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 3.92 4.26 0.46 2.61 -4.23 -1.26 -4.95 115.64 116.45 1it1 s THR 74 Ca 0.25 -1.24 0.37 0.00 -1.18 0.00 0.00 61.69 59.90 1it1 s THR 74 Cb 0.07 -3.43 0.57 0.00 1.34 0.00 0.00 72.50 71.05 1it1 s THR 74 CO -0.02 -0.26 1.49 1.17 -0.54 0.00 0.00 174.62 176.46 1it1 n LYS 75 N -1.37 -0.02 -4.24 3.99 3.00 -1.26 -4.49 118.16 113.77 1it1 n LYS 75 Ca -0.05 1.14 -0.16 0.00 -0.00 0.00 0.00 58.31 59.24 1it1 n LYS 75 Cb 0.58 -2.37 -0.09 0.00 0.00 0.00 0.00 35.03 33.15 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 -5.02 1.45 -0.25 5.64 0.08 -1.26 -5.08 117.98 113.54 1it1 s PHE 76 Ca -0.06 -1.50 -0.29 0.00 0.12 0.00 0.00 56.93 55.20 1it1 s PHE 76 Cb 0.28 -0.64 -0.03 0.00 -0.57 0.00 0.00 43.02 42.06 1it1 s PHE 76 CO 0.81 -0.73 1.70 -1.59 -0.10 0.00 0.00 175.22 175.30 1it1 s LYS 77 N -3.83 3.65 0.86 0.44 -2.85 -1.26 -4.91 119.74 111.83 1it1 s LYS 77 Ca 0.40 1.62 -0.15 0.00 -1.00 0.00 0.00 55.97 56.85 1it1 s LYS 77 Cb 0.05 -4.10 0.20 0.00 -2.06 0.00 0.00 37.83 31.92 1it1 s LYS 77 CO 0.19 -1.48 1.13 -1.13 0.10 0.00 0.00 175.35 174.16 1it1 n SER 78 N 9.06 -0.07 0.06 0.03 3.41 -1.26 -4.64 113.62 120.21 1it1 n SER 78 Ca 0.20 -1.39 -0.02 0.00 -0.26 0.00 0.00 58.87 57.40 1it1 n SER 78 Cb 0.46 -0.87 -0.01 0.00 -0.26 0.00 0.00 64.21 63.52 1it1 n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1it1 h VAL 80 N -0.16 1.11 -0.35 0.00 2.07 -0.92 -0.25 116.25 117.74 1it1 h VAL 80 Ca -0.02 -1.13 -0.09 0.00 0.82 0.00 0.00 66.70 66.28 1it1 h VAL 80 Cb 0.11 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1it1 h VAL 80 CO 0.02 0.31 -0.14 1.23 0.02 0.00 0.00 177.57 179.02 1it1 h GLY 81 N 1.12 0.78 2.00 2.17 0.00 -1.57 0.26 103.07 107.84 1it1 h GLY 81 Ca -0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 1it1 h GLY 81 CO 0.04 0.62 -0.05 0.00 0.00 0.00 0.00 176.54 177.15 1it1 h HIS 83 N 0.00 -0.16 -0.12 0.00 3.86 -0.51 1.10 115.15 119.32 1it1 h HIS 83 Ca -0.00 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1it1 h HIS 83 Cb 0.80 0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.32 1it1 h HIS 83 CO 0.00 -0.10 0.46 1.25 0.86 0.00 0.00 177.93 180.40 1it1 h LEU 84 N -1.00 0.00 0.01 2.43 6.46 -0.57 -1.02 115.31 121.62 1it1 h LEU 84 Ca -0.02 0.00 -0.41 0.00 -0.12 0.00 0.00 57.88 57.33 1it1 h LEU 84 Cb 0.13 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.00 1it1 h LEU 84 CO 0.03 0.00 -2.42 -0.62 -0.62 0.00 0.00 178.44 174.81 1it1 n GLU 85 N -3.03 0.63 0.14 1.25 1.02 -1.14 -4.19 120.64 115.31 1it1 n GLU 85 Ca 0.01 0.22 0.09 0.00 -0.02 0.00 0.00 57.16 57.46 1it1 n GLU 85 Cb 0.54 -1.53 0.48 0.00 -0.02 0.00 0.00 31.44 30.90 1it1 n GLU 85 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1it1 n THR 86 N -3.71 1.15 0.06 2.62 -1.04 0.38 -0.91 114.28 112.82 1it1 n THR 86 Ca -0.48 0.70 -0.09 0.00 -2.04 0.00 0.00 64.05 62.14 1it1 n THR 86 Cb 0.94 -1.70 -0.13 0.00 -1.82 0.00 0.00 70.33 67.62 1it1 n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1it1 h ALA 87 N 1.92 0.36 -5.65 2.41 0.00 -1.40 -3.49 119.26 113.41 1it1 h ALA 87 Ca 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 54.91 53.82 1it1 h ALA 87 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1it1 h ALA 87 CO 0.00 1.24 -0.32 0.41 0.00 0.00 0.00 179.25 180.58 1it1 n GLY 88 N 1.43 -1.21 4.09 0.00 0.00 -0.09 -3.12 105.19 106.29 1it1 n GLY 88 Ca -0.05 0.65 -0.44 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.62 -2.54 -3.69 4.61 0.00 -1.26 -4.90 120.51 111.10 1it1 n ALA 89 Ca -0.04 -0.55 -0.29 0.00 0.00 0.00 0.00 53.44 52.56 1it1 n ALA 89 Cb 0.54 -2.49 -0.12 0.00 0.00 0.00 0.00 19.45 17.37 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 -3.63 3.49 0.52 0.00 2.15 -1.18 -4.95 116.67 113.07 1it1 s ASP 90 Ca 0.44 -2.94 0.38 0.00 0.43 0.00 0.00 52.55 50.86 1it1 s ASP 90 Cb -0.24 -1.05 1.32 0.00 -0.30 0.00 0.00 42.92 42.65 1it1 s ASP 90 CO 0.97 -0.21 1.33 0.00 -0.17 0.00 0.00 175.17 177.09 1it1 n ALA 91 N 3.12 1.45 -0.02 3.66 0.00 -1.26 0.25 120.51 127.70 1it1 n ALA 91 Ca 0.14 0.50 -0.16 0.00 0.00 0.00 0.00 53.44 53.92 1it1 n ALA 91 Cb 0.37 -0.87 -0.11 0.00 0.00 0.00 0.00 19.45 18.84 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 0.75 0.06 0.00 0.00 0.00 -1.96 -3.09 119.26 115.03 1it1 h ALA 92 Ca 0.72 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1it1 h ALA 92 Cb 3.18 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 20.97 1it1 h ALA 92 CO -0.01 0.18 -0.55 0.87 0.00 0.00 0.00 179.25 179.74 1it1 h LYS 93 N -0.32 0.00 0.00 0.00 1.79 0.29 -2.81 116.57 115.52 1it1 h LYS 93 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1it1 h LYS 93 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1it1 h LYS 93 CO 0.07 0.55 0.00 1.63 -1.08 0.00 0.00 179.45 180.62 1it1 n LYS 94 N -3.33 0.84 -0.05 3.15 5.02 0.40 -0.81 118.16 123.38 1it1 n LYS 94 Ca 0.01 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.24 1it1 n LYS 94 Cb 0.71 -1.35 -0.05 0.00 -0.02 0.00 0.00 35.03 34.32 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 -0.85 0.70 -0.02 1.97 4.81 -1.13 -3.13 118.16 120.51 1it1 n LYS 95 Ca 0.14 0.05 -0.17 0.00 -0.87 0.00 0.00 58.31 57.45 1it1 n LYS 95 Cb 0.06 -1.19 -0.07 0.00 0.02 0.00 0.00 35.03 33.85 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 0.00 0.79 0.00 1.64 5.08 -1.38 -0.22 114.58 120.50 1it1 h GLU 96 Ca -0.21 -0.65 -0.06 0.00 -1.00 0.00 0.00 59.36 57.44 1it1 h GLU 96 Cb 1.36 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 1it1 h GLU 96 CO -0.03 1.25 -0.59 -0.07 -1.00 0.00 0.00 179.01 178.58 1it1 h LEU 97 N 0.54 0.00 0.00 1.33 3.38 -1.23 -0.49 115.31 118.85 1it1 h LEU 97 Ca -0.05 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1it1 h LEU 97 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1it1 h LEU 97 CO 0.16 0.93 -0.80 0.35 0.09 0.00 0.00 178.44 179.17 1it1 n THR 98 N -4.59 0.16 -1.66 0.22 -2.24 -1.25 -4.77 114.28 100.15 1it1 n THR 98 Ca -0.13 -0.18 -0.50 0.00 -2.27 0.00 0.00 64.05 60.97 1it1 n THR 98 Cb 0.35 0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.40 1.22 0.04 3.38 0.00 -0.09 -4.87 105.19 106.28 1it1 n GLY 99 Ca 0.03 0.88 -0.00 0.00 0.00 0.00 0.00 46.02 46.93 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 -4.17 3.99 -2.65 0.00 4.76 -1.26 -4.20 118.16 114.64 1it1 n LYS 101 Ca -0.00 -2.56 -0.05 0.00 -2.87 0.00 0.00 58.31 52.83 1it1 n LYS 101 Cb 0.01 -2.05 0.11 0.00 -1.84 0.00 0.00 35.03 31.25 1it1 n LYS 101 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1it1 n GLY 102 N 0.65 1.27 0.00 0.72 0.00 -1.26 -5.02 105.19 101.55 1it1 n GLY 102 Ca 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.84 0.00 -0.06 1.61 3.41 -1.23 -4.50 113.62 112.02 1it1 n SER 103 Ca -0.09 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.51 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 0.82 0.07 4.33 4.76 -0.19 -4.36 118.16 123.59 1it1 n LYS 104 Ca 0.00 -0.08 -0.08 0.00 -2.87 0.00 0.00 58.31 55.27 1it1 n LYS 104 Cb 0.00 -1.47 -0.10 0.00 -1.84 0.00 0.00 35.03 31.62 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 -3.43 3.43 1.81 0.00 8.25 -1.26 -4.53 115.22 119.49 1it1 n HIS 106 Ca -0.02 -4.27 0.14 0.00 -0.26 0.00 0.00 57.72 53.32 1it1 n HIS 106 Cb 0.93 -0.69 0.86 0.00 1.12 0.00 0.00 29.99 32.20 1it1 n HIS 106 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41