#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 4.45 -0.97 0.00 0.04 -1.26 -4.97 135.00 132.28 1it1 s PRO 2 Ca 0.00 1.83 -0.15 0.00 0.04 0.00 0.00 61.00 62.73 1it1 s PRO 2 Cb 0.00 -3.30 0.20 0.00 0.04 0.00 0.00 34.50 31.44 1it1 s PRO 2 CO 0.00 -0.20 1.05 0.15 0.04 0.00 0.00 177.00 178.04 1it1 s LYS 3 N 0.57 3.80 0.16 4.56 1.02 -1.26 -5.01 119.74 123.57 1it1 s LYS 3 Ca 0.57 -2.41 -0.31 0.00 0.02 0.00 0.00 55.97 53.84 1it1 s LYS 3 Cb -0.31 -4.71 -0.18 0.00 -0.52 0.00 0.00 37.83 32.12 1it1 s LYS 3 CO 0.32 -1.51 0.67 0.00 -0.92 0.00 0.00 175.35 173.92 1it1 n ALA 4 N 4.79 -2.94 -1.66 5.17 0.00 -1.26 -4.89 120.51 119.72 1it1 n ALA 4 Ca 0.23 0.48 -0.31 0.00 0.00 0.00 0.00 53.44 53.83 1it1 n ALA 4 Cb 0.46 -1.66 0.03 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.77 3.17 1.31 0.00 0.04 -1.26 -5.04 135.00 132.45 1it1 s PRO 5 Ca 0.70 0.94 -0.22 0.00 0.04 0.00 0.00 61.00 62.47 1it1 s PRO 5 Cb -1.00 -2.02 0.33 0.00 0.04 0.00 0.00 34.50 31.85 1it1 s PRO 5 CO 0.56 -0.91 0.93 0.00 0.04 0.00 0.00 177.00 177.62 1it1 n ALA 6 N -2.84 -4.27 -1.48 8.56 0.00 -1.26 -4.67 120.51 114.55 1it1 n ALA 6 Ca 0.07 -1.52 -0.18 0.00 0.00 0.00 0.00 53.44 51.81 1it1 n ALA 6 Cb 0.54 -0.12 0.20 0.00 0.00 0.00 0.00 19.45 20.06 1it1 n ALA 6 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1it1 n ASP 7 N -5.32 -0.80 0.00 0.00 8.00 -1.26 -4.29 116.55 112.88 1it1 n ASP 7 Ca 0.14 -1.27 0.00 0.00 0.71 0.00 0.00 54.79 54.36 1it1 n ASP 7 Cb 0.57 -0.88 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1it1 n ASP 7 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1it1 n GLY 8 N -3.14 0.48 3.67 0.44 0.00 -1.25 -4.95 105.19 100.45 1it1 n GLY 8 Ca 0.14 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 4.31 -0.30 0.99 0.20 -1.10 -4.78 118.68 118.01 1it1 s LEU 9 Ca 0.00 2.15 -0.08 0.00 0.69 0.00 0.00 54.13 56.89 1it1 s LEU 9 Cb 0.00 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 1it1 s LEU 9 CO 0.00 -0.82 0.10 -0.54 -0.29 0.00 0.00 176.35 174.79 1it1 s LYS 10 N 3.20 3.18 -0.63 1.98 1.02 -1.26 0.28 119.74 127.51 1it1 s LYS 10 Ca 0.67 -0.80 -0.23 0.00 0.02 0.00 0.00 55.97 55.64 1it1 s LYS 10 Cb -0.32 -3.42 0.06 0.00 -0.52 0.00 0.00 37.83 33.64 1it1 s LYS 10 CO 0.27 -0.42 0.95 0.00 -0.92 0.00 0.00 175.35 175.22 1it1 s MET 11 N 1.54 3.16 -0.19 1.68 0.23 0.73 -4.83 119.30 121.61 1it1 s MET 11 Ca 0.03 -0.71 0.16 0.00 -1.03 0.00 0.00 55.69 54.14 1it1 s MET 11 Cb -0.17 -4.19 0.64 0.00 -1.53 0.00 0.00 34.83 29.58 1it1 s MET 11 CO 0.03 -1.73 1.54 -0.40 -2.03 0.00 0.00 175.02 172.44 1it1 n ASP 12 N 7.62 4.55 -0.23 -1.18 5.75 -1.26 -0.36 116.55 131.45 1it1 n ASP 12 Ca -0.03 -2.91 0.31 0.00 -0.01 0.00 0.00 54.79 52.15 1it1 n ASP 12 Cb 0.46 -0.58 0.73 0.00 -1.03 0.00 0.00 41.12 40.70 1it1 n ASP 12 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1it1 h LYS 13 N 2.72 0.00 -5.59 0.11 1.79 -1.91 -3.42 116.57 110.27 1it1 h LYS 13 Ca 0.00 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.85 1it1 h LYS 13 Cb 1.61 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 32.16 1it1 h LYS 13 CO 0.31 0.00 -0.47 0.95 -1.08 0.00 0.00 179.45 179.16 1it1 s THR 14 N -4.95 1.65 0.57 -0.16 -4.23 -1.26 -4.96 115.64 102.30 1it1 s THR 14 Ca -0.05 -1.81 0.34 0.00 -1.18 0.00 0.00 61.69 58.99 1it1 s THR 14 Cb 0.22 -2.45 0.37 0.00 1.34 0.00 0.00 72.50 71.98 1it1 s THR 14 CO 0.78 0.00 2.26 0.11 -0.54 0.00 0.00 174.62 177.22 1it1 h LYS 15 N 1.27 0.00 -3.52 3.99 1.57 -1.97 -3.26 116.57 114.65 1it1 h LYS 15 Ca -0.42 0.00 -0.76 0.00 -1.87 0.00 0.00 60.65 57.60 1it1 h LYS 15 Cb 1.29 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.29 1it1 h LYS 15 CO 0.70 0.02 0.17 -0.65 -0.57 0.00 0.00 179.45 179.12 1it1 s GLN 16 N -4.40 3.71 0.25 3.15 -0.21 -1.26 -5.04 119.66 115.86 1it1 s GLN 16 Ca -0.04 -3.09 -0.30 0.00 0.02 0.00 0.00 55.36 51.94 1it1 s GLN 16 Cb 0.14 -4.28 -0.10 0.00 1.00 0.00 0.00 33.01 29.77 1it1 s GLN 16 CO 0.51 -1.25 1.37 -1.25 -2.12 0.00 0.00 175.29 172.56 1it1 s PRO 17 N -1.02 4.32 0.25 2.91 0.04 -1.23 -4.88 135.00 135.39 1it1 s PRO 17 Ca 0.27 2.21 0.12 0.00 0.04 0.00 0.00 61.00 63.63 1it1 s PRO 17 Cb -0.10 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 1it1 s PRO 17 CO -0.09 -0.32 -0.19 0.08 0.04 0.00 0.00 177.00 176.51 1it1 s VAL 18 N -0.21 2.54 -0.20 -0.36 1.01 0.52 -4.81 120.40 118.88 1it1 s VAL 18 Ca 0.56 -2.25 -0.05 0.00 0.00 0.00 0.00 61.98 60.24 1it1 s VAL 18 Cb -0.40 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1it1 s VAL 18 CO 0.44 -0.31 0.00 -0.69 0.00 0.00 0.00 175.10 174.54 1it1 s VAL 19 N -2.24 3.99 -0.27 2.92 1.01 -1.25 0.26 120.40 124.82 1it1 s VAL 19 Ca 0.27 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 1it1 s VAL 19 Cb -0.06 -2.80 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 1it1 s VAL 19 CO 0.14 0.43 0.06 0.12 0.00 0.00 0.00 175.10 175.85 1it1 s PHE 20 N 0.94 3.11 -0.67 5.22 5.36 0.79 -4.88 117.98 127.86 1it1 s PHE 20 Ca 0.01 -0.85 -0.19 0.00 -0.96 0.00 0.00 56.93 54.94 1it1 s PHE 20 Cb -0.14 -2.23 0.12 0.00 -0.34 0.00 0.00 43.02 40.43 1it1 s PHE 20 CO 0.02 -0.53 0.79 -0.80 -1.46 0.00 0.00 175.22 173.24 1it1 s ASN 21 N 1.52 6.31 0.46 6.13 0.01 -1.26 -2.70 114.94 125.41 1it1 s ASN 21 Ca 0.04 -1.64 0.26 0.00 -0.71 0.00 0.00 52.86 50.81 1it1 s ASN 21 Cb -0.16 -2.31 1.29 0.00 0.41 0.00 0.00 41.25 40.48 1it1 s ASN 21 CO 0.02 -1.07 1.80 0.45 -1.51 0.00 0.00 177.10 176.79 1it1 h HIS 22 N 9.00 0.36 -0.85 2.20 3.86 -1.83 0.22 115.15 128.11 1it1 h HIS 22 Ca -0.19 0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.20 1it1 h HIS 22 Cb 1.07 -0.10 -0.10 0.00 1.06 0.00 0.00 27.41 29.33 1it1 h HIS 22 CO 0.91 0.04 0.40 0.66 0.86 0.00 0.00 177.93 180.80 1it1 h SER 23 N 0.22 0.42 0.57 2.45 4.64 -1.90 2.92 113.55 122.86 1it1 h SER 23 Ca 0.56 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 1it1 h SER 23 Cb 1.75 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.90 1it1 h SER 23 CO -0.16 0.13 0.00 0.41 -0.87 0.00 0.00 176.83 176.34 1it1 n THR 24 N -4.95 0.92 0.04 2.95 -1.04 0.75 -2.56 114.28 110.40 1it1 n THR 24 Ca 0.18 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.42 1it1 n THR 24 Cb 0.50 -1.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.01 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 -1.62 0.00 0.07 -1.42 8.25 0.44 -4.61 115.22 116.34 1it1 n HIS 25 Ca 0.03 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.70 1it1 n HIS 25 Cb 0.19 0.00 0.70 0.00 1.12 0.00 0.00 29.99 32.00 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 0.07 0.00 -0.02 -0.41 2.10 0.48 1.85 116.57 120.64 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 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 1it1 h LYS 26 CO 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 179.45 177.40 1it1 n ALA 27 N -2.28 2.63 -1.95 0.07 0.00 -1.26 -4.92 120.51 112.80 1it1 n ALA 27 Ca 0.09 -0.56 -0.26 0.00 0.00 0.00 0.00 53.44 52.70 1it1 n ALA 27 Cb 0.73 -0.98 0.12 0.00 0.00 0.00 0.00 19.45 19.32 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 -2.07 2.14 -0.56 0.00 1.01 0.63 -4.98 120.40 116.57 1it1 s VAL 28 Ca 0.31 -0.30 -0.27 0.00 0.00 0.00 0.00 61.98 61.72 1it1 s VAL 28 Cb 0.20 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.78 1it1 s VAL 28 CO 0.35 0.00 1.09 -0.54 0.00 0.00 0.00 175.10 176.00 1it1 s LYS 29 N -5.41 3.46 0.64 2.72 3.01 -1.26 -4.83 119.74 118.06 1it1 s LYS 29 Ca 0.67 0.09 0.26 0.00 -1.01 0.00 0.00 55.97 55.98 1it1 s LYS 29 Cb -0.06 -4.02 1.38 0.00 -1.01 0.00 0.00 37.83 34.12 1it1 s LYS 29 CO 0.47 -1.57 1.79 0.00 0.51 0.00 0.00 175.35 176.55 1it1 n GLY 31 N -1.36 -0.59 0.07 0.00 0.00 -1.26 -2.39 105.19 99.66 1it1 n GLY 31 Ca 0.03 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 1.25 -0.01 0.02 1.61 3.58 0.44 -2.23 116.42 121.08 1it1 h ASP 32 Ca 0.00 -0.79 -0.00 0.00 0.42 0.00 0.00 57.03 56.66 1it1 h ASP 32 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1it1 h ASP 32 CO 0.00 0.86 -0.01 0.00 -2.88 0.00 0.00 179.24 177.21 1it1 n HIS 34 N -4.73 1.21 -0.79 0.00 8.25 -1.00 -4.98 115.22 113.18 1it1 n HIS 34 Ca -0.05 -1.82 -0.28 0.00 -0.26 0.00 0.00 57.72 55.31 1it1 n HIS 34 Cb 0.22 -1.27 0.03 0.00 1.12 0.00 0.00 29.99 30.08 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 1.07 -3.79 -1.91 4.41 1.44 -0.84 -3.58 115.22 112.03 1it1 n HIS 35 Ca 0.41 0.02 -0.39 0.00 -2.01 0.00 0.00 57.72 55.75 1it1 n HIS 35 Cb 0.62 -1.12 -0.03 0.00 0.12 0.00 0.00 29.99 29.58 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 -1.43 2.60 0.11 -1.40 0.04 -1.26 -3.38 135.00 130.27 1it1 s PRO 36 Ca 0.32 0.92 0.02 0.00 0.04 0.00 0.00 61.00 62.31 1it1 s PRO 36 Cb -0.17 -4.41 -0.04 0.00 0.04 0.00 0.00 34.50 29.92 1it1 s PRO 36 CO 0.62 -2.74 0.20 0.08 0.04 0.00 0.00 177.00 175.19 1it1 s VAL 37 N 9.54 5.09 -0.68 -0.36 1.01 0.39 -4.32 120.40 131.06 1it1 s VAL 37 Ca 0.76 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1it1 s VAL 37 Cb -0.15 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1it1 s VAL 37 CO 0.24 0.03 0.00 -3.20 0.00 0.00 0.00 175.10 172.16 1it1 n ASN 38 N -0.04 -2.73 0.00 3.32 2.85 -1.26 0.33 115.26 117.73 1it1 n ASN 38 Ca -0.07 0.30 0.00 0.00 -0.11 0.00 0.00 54.58 54.70 1it1 n ASN 38 Cb 0.53 -2.41 0.00 0.00 1.24 0.00 0.00 39.78 39.13 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 -0.63 2.00 2.96 8.20 0.00 -1.26 -4.99 105.19 111.47 1it1 n GLY 39 Ca -0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.26 0.48 -0.31 1.61 -2.85 1.02 -5.00 119.74 114.42 1it1 s LYS 40 Ca 0.00 -0.19 -0.29 0.00 -1.00 0.00 0.00 55.97 54.49 1it1 s LYS 40 Cb 0.00 -0.47 -0.01 0.00 -2.06 0.00 0.00 37.83 35.28 1it1 s LYS 40 CO 0.00 0.11 1.65 -1.21 0.10 0.00 0.00 175.35 175.99 1it1 s GLU 41 N -0.05 3.54 -0.61 1.78 2.02 -1.26 0.15 118.70 124.27 1it1 s GLU 41 Ca 0.01 1.39 -0.26 0.00 0.02 0.00 0.00 54.97 56.13 1it1 s GLU 41 Cb -0.03 -4.10 -0.03 0.00 0.10 0.00 0.00 34.13 30.06 1it1 s GLU 41 CO -0.00 -1.60 1.97 -0.51 0.02 0.00 0.00 175.26 175.13 1it1 s ASP 42 N 4.98 5.10 -0.54 -0.19 1.11 -1.22 -4.82 116.67 121.09 1it1 s ASP 42 Ca 0.73 0.39 -0.07 0.00 0.18 0.00 0.00 52.55 53.78 1it1 s ASP 42 Cb -0.21 -2.53 -0.15 0.00 1.07 0.00 0.00 42.92 41.10 1it1 s ASP 42 CO 0.32 -2.51 3.26 -1.22 1.18 0.00 0.00 175.17 176.20 1it1 n TYR 43 N 13.45 0.98 -4.58 4.23 4.01 -1.26 -4.66 117.16 129.34 1it1 n TYR 43 Ca 0.25 -2.03 -0.26 0.00 -0.16 0.00 0.00 57.90 55.70 1it1 n TYR 43 Cb 0.52 -1.79 -0.10 0.00 -0.31 0.00 0.00 39.34 37.66 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 0.72 1.89 0.07 -0.72 -2.07 -1.26 -5.04 119.66 113.25 1it1 s GLN 44 Ca 0.66 -2.10 -0.37 0.00 -1.82 0.00 0.00 55.36 51.72 1it1 s GLN 44 Cb 0.29 -1.26 -0.17 0.00 -1.09 0.00 0.00 33.01 30.78 1it1 s GLN 44 CO -0.05 -0.19 1.28 1.63 -1.32 0.00 0.00 175.29 176.64 1it1 n LYS 45 N -0.92 0.91 -0.32 9.60 5.02 -1.26 -4.77 118.16 126.42 1it1 n LYS 45 Ca -0.07 0.33 0.21 0.00 -2.02 0.00 0.00 58.31 56.77 1it1 n LYS 45 Cb 0.67 -1.94 0.43 0.00 -0.02 0.00 0.00 35.03 34.16 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 -2.46 6.00 -1.00 0.00 0.00 -1.26 -0.79 120.51 121.00 1it1 n ALA 47 Ca 0.29 -4.55 0.00 0.00 0.00 0.00 0.00 53.44 49.18 1it1 n ALA 47 Cb 0.93 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 0.93 0.00 -1.04 -0.41 -4.45 114.28 109.16 1it1 n THR 48 Ca 0.46 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.60 1it1 n THR 48 Cb 0.27 0.00 0.56 0.00 -1.82 0.00 0.00 70.33 69.35 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 -2.76 2.20 -1.90 2.41 0.00 -1.26 -3.58 120.51 115.61 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 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 1.15 0.35 0.00 0.00 0.00 -1.26 -4.96 105.19 100.48 1it1 n GLY 50 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.47 -0.75 0.00 8.25 0.03 -4.42 115.22 118.80 1it1 n HIS 52 Ca 0.00 -1.73 -0.03 0.00 -0.26 0.00 0.00 57.72 55.69 1it1 n HIS 52 Cb 0.00 -1.71 0.29 0.00 1.12 0.00 0.00 29.99 29.68 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 2.76 4.62 -4.58 0.41 5.68 -1.20 -3.26 116.55 120.99 1it1 n ASP 53 Ca 0.48 -3.02 -0.42 0.00 -0.50 0.00 0.00 54.79 51.33 1it1 n ASP 53 Cb 0.73 -0.71 -0.02 0.00 -1.14 0.00 0.00 41.12 39.98 1it1 n ASP 53 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1it1 s ASN 54 N -0.79 6.40 0.00 -1.12 2.47 -1.18 -4.84 114.94 115.89 1it1 s ASN 54 Ca 0.48 0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.80 1it1 s ASN 54 Cb 0.38 -2.55 0.02 0.00 -1.45 0.00 0.00 41.25 37.64 1it1 s ASN 54 CO 0.12 -1.54 0.98 0.23 -3.72 0.00 0.00 177.10 173.18 1it1 n MET 55 N 8.58 0.97 0.07 0.43 2.81 -1.26 -3.27 117.12 125.46 1it1 n MET 55 Ca 0.08 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.10 1it1 n MET 55 Cb 0.49 -1.00 0.47 0.00 -0.71 0.00 0.00 33.22 32.47 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 -0.50 0.56 -1.54 7.83 -0.08 -1.26 -4.87 116.55 116.69 1it1 n ASP 56 Ca 0.00 0.55 -0.05 0.00 -1.51 0.00 0.00 54.79 53.79 1it1 n ASP 56 Cb 0.00 -0.70 -0.02 0.00 2.34 0.00 0.00 41.12 42.74 1it1 n ASP 56 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1it1 n LYS 57 N -2.02 -1.57 0.00 -0.67 5.02 -1.21 -4.54 118.16 113.16 1it1 n LYS 57 Ca 0.06 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1it1 n LYS 57 Cb 0.40 -4.51 0.00 0.00 -0.02 0.00 0.00 35.03 30.90 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 -1.71 0.86 0.24 1.97 4.76 -1.26 -4.79 118.16 118.22 1it1 n LYS 58 Ca -0.05 -0.05 0.07 0.00 -2.87 0.00 0.00 58.31 55.41 1it1 n LYS 58 Cb 0.28 -0.32 0.59 0.00 -1.84 0.00 0.00 35.03 33.73 1it1 n LYS 58 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1it1 h ASP 59 N 0.00 0.00 -4.04 4.39 3.58 -1.93 -3.45 116.42 114.98 1it1 h ASP 59 Ca 0.00 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 1it1 h ASP 59 Cb 0.16 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 1it1 h ASP 59 CO 0.00 0.09 -0.08 1.17 -2.88 0.00 0.00 179.24 177.54 1it1 n LYS 60 N -4.40 -2.40 -0.60 0.28 0.00 -1.26 -4.86 118.16 104.92 1it1 n LYS 60 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 58.31 58.45 1it1 n LYS 60 Cb 0.16 -4.59 0.00 0.00 0.00 0.00 0.00 35.03 30.60 1it1 n LYS 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1it1 n SER 61 N -1.08 1.41 -0.55 3.14 2.88 -1.26 -5.00 113.62 113.17 1it1 n SER 61 Ca -0.04 -0.35 0.04 0.00 -1.33 0.00 0.00 58.87 57.19 1it1 n SER 61 Cb 0.43 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.01 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 2.55 -0.12 -1.46 0.00 -1.26 -3.57 120.51 113.65 1it1 n ALA 62 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1it1 n ALA 62 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 0.22 2.26 -2.44 0.00 0.00 -1.26 -4.76 118.16 112.18 1it1 n LYS 63 Ca 0.08 -0.19 -0.32 0.00 0.00 0.00 0.00 58.31 57.88 1it1 n LYS 63 Cb 0.27 -0.63 -0.04 0.00 0.00 0.00 0.00 35.03 34.64 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 -0.38 2.08 0.12 3.14 0.00 -1.23 -3.10 107.32 107.95 1it1 s GLY 64 Ca 0.00 0.18 0.21 0.00 0.00 0.00 0.00 44.72 45.11 1it1 s GLY 64 CO 0.00 0.45 0.85 2.98 0.00 0.00 0.00 173.10 177.38 1it1 n TYR 65 N -1.52 0.71 1.06 1.90 9.36 -1.20 -3.99 117.16 123.48 1it1 n TYR 65 Ca 0.06 0.21 0.12 0.00 3.32 0.00 0.00 57.90 61.61 1it1 n TYR 65 Cb 0.54 -0.87 0.09 0.00 -0.63 0.00 0.00 39.34 38.48 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 -2.61 0.00 -0.02 2.98 4.19 -1.26 -4.20 117.16 116.24 1it1 n TYR 66 Ca -0.03 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.16 1it1 n TYR 66 Cb 0.61 -0.03 -0.00 0.00 0.49 0.00 0.00 39.34 40.41 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 -0.09 0.25 0.14 2.98 -0.00 -1.26 -3.04 115.22 114.20 1it1 n HIS 67 Ca 0.10 0.11 0.05 0.00 0.46 0.00 0.00 57.72 58.44 1it1 n HIS 67 Cb 0.45 -0.38 0.28 0.00 -0.12 0.00 0.00 29.99 30.22 1it1 n HIS 67 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1it1 n ALA 68 N -2.68 0.55 -0.10 1.57 0.00 -1.26 0.81 120.51 119.40 1it1 n ALA 68 Ca -0.02 0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.29 1it1 n ALA 68 Cb 0.08 -0.68 -0.12 0.00 0.00 0.00 0.00 19.45 18.73 1it1 n ALA 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1it1 n MET 69 N -1.93 0.65 0.01 0.00 2.81 -1.26 -3.37 117.12 114.04 1it1 n MET 69 Ca -0.01 0.24 0.11 0.00 -1.81 0.00 0.00 57.70 56.24 1it1 n MET 69 Cb 0.35 -1.58 -0.11 0.00 -0.71 0.00 0.00 33.22 31.17 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 -3.66 0.19 -2.77 2.03 -0.00 -0.61 0.12 115.22 110.52 1it1 n HIS 70 Ca -0.44 0.06 -0.42 0.00 -0.00 0.00 0.00 57.72 56.92 1it1 n HIS 70 Cb 0.95 -0.51 -0.03 0.00 -0.00 0.00 0.00 29.99 30.40 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 -4.40 7.05 -0.10 0.41 1.11 0.24 -4.53 116.67 116.44 1it1 s ASP 71 Ca -0.03 1.30 -0.17 0.00 0.18 0.00 0.00 52.55 53.83 1it1 s ASP 71 Cb 0.14 -2.50 -0.27 0.00 1.07 0.00 0.00 42.92 41.35 1it1 s ASP 71 CO 0.87 -0.51 0.57 0.07 1.18 0.00 0.00 175.17 177.36 1it1 h LYS 72 N 7.36 0.23 -3.17 8.23 2.10 -1.90 -3.36 116.57 126.07 1it1 h LYS 72 Ca -0.26 -0.40 -0.36 0.00 -2.00 0.00 0.00 60.65 57.63 1it1 h LYS 72 Cb 1.11 0.15 0.01 0.00 -0.90 0.00 0.00 32.23 32.59 1it1 h LYS 72 CO 0.89 1.19 2.22 0.41 -2.00 0.00 0.00 179.45 182.16 1it1 n GLY 73 N 1.72 3.08 3.75 0.07 0.00 -1.26 -4.49 105.19 108.06 1it1 n GLY 73 Ca -0.24 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.65 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 2.91 3.53 0.49 2.61 -4.23 -1.26 -4.96 115.64 114.74 1it1 s THR 74 Ca 0.44 -1.64 0.42 0.00 -1.18 0.00 0.00 61.69 59.72 1it1 s THR 74 Cb 0.13 -3.07 0.63 0.00 1.34 0.00 0.00 72.50 71.53 1it1 s THR 74 CO -0.03 -0.27 1.50 1.17 -0.54 0.00 0.00 174.62 176.44 1it1 n LYS 75 N -1.12 -0.01 -4.36 3.99 3.00 -1.26 -4.46 118.16 113.93 1it1 n LYS 75 Ca -0.05 1.10 -0.22 0.00 -0.00 0.00 0.00 58.31 59.14 1it1 n LYS 75 Cb 0.60 -2.39 -0.08 0.00 0.00 0.00 0.00 35.03 33.16 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 -4.92 1.77 -0.27 5.64 0.08 -1.26 -5.10 117.98 113.92 1it1 s PHE 76 Ca -0.06 -1.56 -0.29 0.00 0.12 0.00 0.00 56.93 55.14 1it1 s PHE 76 Cb 0.27 -0.86 0.01 0.00 -0.57 0.00 0.00 43.02 41.87 1it1 s PHE 76 CO 0.83 -0.70 1.12 -1.59 -0.10 0.00 0.00 175.22 174.78 1it1 s LYS 77 N -3.51 4.13 0.79 0.44 -2.85 -1.26 -4.84 119.74 112.62 1it1 s LYS 77 Ca 0.35 1.27 -0.12 0.00 -1.00 0.00 0.00 55.97 56.47 1it1 s LYS 77 Cb 0.02 -3.73 0.06 0.00 -2.06 0.00 0.00 37.83 32.12 1it1 s LYS 77 CO 0.24 -0.82 1.13 0.45 0.10 0.00 0.00 175.35 176.44 1it1 s SER 78 N 1.73 4.65 0.22 0.03 0.15 -1.26 -4.46 113.70 114.77 1it1 s SER 78 Ca 0.48 1.06 -0.12 0.00 0.70 0.00 0.00 55.95 58.06 1it1 s SER 78 Cb -0.15 -1.72 0.29 0.00 -1.71 0.00 0.00 66.02 62.72 1it1 s SER 78 CO 0.14 -1.84 1.62 0.00 1.20 0.00 0.00 173.24 174.35 1it1 h VAL 80 N 0.01 1.31 -0.52 0.00 2.07 0.56 -1.92 116.25 117.76 1it1 h VAL 80 Ca 0.34 -2.96 -0.12 0.00 0.82 0.00 0.00 66.70 64.77 1it1 h VAL 80 Cb 0.52 2.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 1it1 h VAL 80 CO -0.70 0.75 -0.16 1.23 0.02 0.00 0.00 177.57 178.70 1it1 h GLY 81 N 3.24 1.11 1.88 2.17 0.00 -0.83 1.00 103.07 111.63 1it1 h GLY 81 Ca -0.07 -0.94 -0.10 0.00 0.00 0.00 0.00 47.33 46.23 1it1 h GLY 81 CO 0.10 0.86 -0.55 0.00 0.00 0.00 0.00 176.54 176.95 1it1 h HIS 83 N 0.00 -0.35 -0.82 0.00 3.86 -1.01 0.81 115.15 117.63 1it1 h HIS 83 Ca -0.02 -0.01 0.24 0.00 -1.16 0.00 0.00 60.37 59.42 1it1 h HIS 83 Cb 1.36 0.12 -0.03 0.00 1.06 0.00 0.00 27.41 29.91 1it1 h HIS 83 CO 0.00 -0.08 0.59 1.25 0.86 0.00 0.00 177.93 180.55 1it1 h LEU 84 N -1.03 0.01 0.00 2.43 6.46 -0.93 0.12 115.31 122.37 1it1 h LEU 84 Ca -0.04 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.60 1it1 h LEU 84 Cb 0.43 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 1it1 h LEU 84 CO 0.06 0.00 -0.69 -0.33 -0.62 0.00 0.00 178.44 176.86 1it1 h GLU 85 N 0.01 0.00 0.00 1.25 5.08 -1.52 -2.87 114.58 116.53 1it1 h GLU 85 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1it1 h GLU 85 Cb 1.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1it1 h GLU 85 CO -0.01 0.89 0.07 1.15 -1.00 0.00 0.00 179.01 180.10 1it1 h THR 86 N -1.00 0.00 0.04 1.13 2.02 0.14 -0.75 112.91 114.48 1it1 h THR 86 Ca -0.18 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.66 1it1 h THR 86 Cb 1.08 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.95 1it1 h THR 86 CO -0.11 0.00 -2.01 0.00 0.37 0.00 0.00 175.52 173.77 1it1 n ALA 87 N -1.78 1.31 -0.90 6.16 0.00 0.34 -5.04 120.51 120.61 1it1 n ALA 87 Ca -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1it1 n ALA 87 Cb 0.10 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 1.81 2.37 2.17 0.00 0.00 -0.29 -2.25 105.19 108.99 1it1 n GLY 88 Ca -0.28 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.15 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 7.63 6.20 -3.85 4.61 0.00 -1.26 -4.68 120.51 129.15 1it1 n ALA 89 Ca 0.00 -2.23 -0.30 0.00 0.00 0.00 0.00 53.44 50.92 1it1 n ALA 89 Cb 0.00 -2.12 -0.11 0.00 0.00 0.00 0.00 19.45 17.22 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 1.20 5.04 0.55 0.00 -1.08 -0.96 -4.92 116.67 116.50 1it1 s ASP 90 Ca 0.58 -3.81 0.35 0.00 -0.52 0.00 0.00 52.55 49.15 1it1 s ASP 90 Cb 0.32 -1.69 1.22 0.00 -1.46 0.00 0.00 42.92 41.31 1it1 s ASP 90 CO -0.09 -0.11 1.33 0.00 0.52 0.00 0.00 175.17 176.82 1it1 n ALA 91 N 2.07 1.33 0.01 3.66 0.00 -1.26 0.32 120.51 126.65 1it1 n ALA 91 Ca 0.20 0.46 -0.19 0.00 0.00 0.00 0.00 53.44 53.91 1it1 n ALA 91 Cb 0.35 -0.80 -0.09 0.00 0.00 0.00 0.00 19.45 18.91 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 0.69 0.18 0.00 0.00 0.00 -1.95 -1.94 119.26 116.24 1it1 h ALA 92 Ca 0.66 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1it1 h ALA 92 Cb 3.13 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 20.93 1it1 h ALA 92 CO -0.01 0.60 -0.42 0.87 0.00 0.00 0.00 179.25 180.30 1it1 h LYS 93 N 0.34 0.00 0.00 0.00 1.57 0.49 -2.47 116.57 116.50 1it1 h LYS 93 Ca -0.09 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 1it1 h LYS 93 Cb 1.50 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.79 1it1 h LYS 93 CO 0.17 0.42 -0.41 0.87 -0.57 0.00 0.00 179.45 179.93 1it1 h LYS 94 N 0.00 0.00 0.00 3.15 1.57 -0.18 0.11 116.57 121.23 1it1 h LYS 94 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1it1 h LYS 94 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1it1 h LYS 94 CO 0.05 0.41 -0.94 1.57 -0.57 0.00 0.00 179.45 179.97 1it1 h LYS 95 N 0.00 0.00 0.06 3.15 5.09 -1.23 0.25 116.57 123.88 1it1 h LYS 95 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 60.65 60.39 1it1 h LYS 95 Cb 1.15 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.44 1it1 h LYS 95 CO 0.05 0.07 -1.93 -0.85 -2.09 0.00 0.00 179.45 174.70 1it1 n GLU 96 N -2.78 0.68 -0.01 0.07 0.28 -0.94 -2.43 120.64 115.50 1it1 n GLU 96 Ca -0.01 0.33 -0.00 0.00 -0.16 0.00 0.00 57.16 57.31 1it1 n GLU 96 Cb 0.61 -1.67 -0.00 0.00 1.43 0.00 0.00 31.44 31.80 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 -0.32 -0.02 0.00 -1.84 3.38 -0.93 -0.41 115.31 115.17 1it1 h LEU 97 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1it1 h LEU 97 Cb 1.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1it1 h LEU 97 CO -0.07 0.20 -0.56 0.71 0.09 0.00 0.00 178.44 178.81 1it1 h THR 98 N -0.44 0.00 -1.68 0.22 1.35 -1.63 -3.44 112.91 107.29 1it1 h THR 98 Ca -0.00 -0.53 -0.70 0.00 -0.55 0.00 0.00 66.41 64.64 1it1 h THR 98 Cb 0.02 1.16 0.03 0.00 -1.73 0.00 0.00 68.15 67.63 1it1 h THR 98 CO 0.00 0.00 0.73 0.61 -0.25 0.00 0.00 175.52 176.61 1it1 n GLY 99 N 1.32 0.76 0.05 5.82 0.00 0.84 -4.88 105.19 109.10 1it1 n GLY 99 Ca 0.03 0.82 -0.02 0.00 0.00 0.00 0.00 46.02 46.85 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 -4.18 4.12 -2.68 0.00 4.81 -1.26 -4.20 118.16 114.77 1it1 n LYS 101 Ca -0.03 -2.68 -0.03 0.00 -0.87 0.00 0.00 58.31 54.70 1it1 n LYS 101 Cb 0.13 -2.07 0.13 0.00 0.02 0.00 0.00 35.03 33.23 1it1 n LYS 101 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1it1 n GLY 102 N 0.69 1.97 0.00 3.14 0.00 -1.26 -5.02 105.19 104.71 1it1 n GLY 102 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.44 0.00 -0.06 1.61 3.41 -1.02 -4.38 113.62 111.74 1it1 n SER 103 Ca -0.16 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.44 1it1 n SER 103 Cb 0.88 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 0.83 0.16 4.33 4.76 -0.16 -4.31 118.16 123.77 1it1 n LYS 104 Ca 0.00 -0.08 0.04 0.00 -2.87 0.00 0.00 58.31 55.40 1it1 n LYS 104 Cb 0.00 -1.47 0.08 0.00 -1.84 0.00 0.00 35.03 31.79 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 -3.23 2.68 1.80 0.00 8.25 -1.26 -4.44 115.22 119.03 1it1 n HIS 106 Ca 0.02 -4.06 0.15 0.00 -0.26 0.00 0.00 57.72 53.58 1it1 n HIS 106 Cb 0.69 -0.49 0.78 0.00 1.12 0.00 0.00 29.99 32.09 1it1 n HIS 106 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41