#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 4.55 -0.92 0.00 0.04 -1.26 -4.98 135.00 132.42 1it1 s PRO 2 Ca 0.00 1.83 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 1it1 s PRO 2 Cb 0.00 -3.11 0.24 0.00 0.04 0.00 0.00 34.50 31.67 1it1 s PRO 2 CO 0.00 0.12 0.88 0.15 0.04 0.00 0.00 177.00 178.19 1it1 s LYS 3 N -1.59 3.78 0.28 4.56 1.02 -1.26 -5.03 119.74 121.49 1it1 s LYS 3 Ca 0.46 -2.75 -0.26 0.00 0.02 0.00 0.00 55.97 53.44 1it1 s LYS 3 Cb -0.32 -4.44 -0.16 0.00 -0.52 0.00 0.00 37.83 32.39 1it1 s LYS 3 CO 0.41 -1.27 0.45 0.00 -0.92 0.00 0.00 175.35 174.03 1it1 n ALA 4 N 3.46 -2.57 -1.90 5.17 0.00 -1.26 -4.91 120.51 118.50 1it1 n ALA 4 Ca 0.17 0.33 -0.30 0.00 0.00 0.00 0.00 53.44 53.64 1it1 n ALA 4 Cb 0.44 -1.62 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 -1.10 3.03 1.32 0.00 0.04 -1.26 -5.04 135.00 132.00 1it1 s PRO 5 Ca 0.62 0.49 -0.20 0.00 0.04 0.00 0.00 61.00 61.95 1it1 s PRO 5 Cb -0.81 -2.06 0.31 0.00 0.04 0.00 0.00 34.50 31.99 1it1 s PRO 5 CO 0.58 -0.90 0.74 0.00 0.04 0.00 0.00 177.00 177.46 1it1 n ALA 6 N -2.91 -3.86 -2.22 8.56 0.00 -1.26 -4.74 120.51 114.08 1it1 n ALA 6 Ca 0.06 -1.62 -0.25 0.00 0.00 0.00 0.00 53.44 51.63 1it1 n ALA 6 Cb 0.56 -1.49 0.02 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.67 5.83 0.00 0.00 1.01 -1.26 -4.42 116.67 115.15 1it1 s ASP 7 Ca 0.60 0.59 0.00 0.00 0.71 0.00 0.00 52.55 54.46 1it1 s ASP 7 Cb -0.13 -1.76 0.00 0.00 1.01 0.00 0.00 42.92 42.04 1it1 s ASP 7 CO 0.53 -0.82 0.00 0.61 0.21 0.00 0.00 175.17 175.71 1it1 n GLY 8 N -2.32 0.80 0.00 0.21 0.00 -1.24 -4.93 105.19 97.71 1it1 n GLY 8 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.15 0.99 0.00 -1.07 -4.73 117.00 109.04 1it1 n LEU 9 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 56.01 56.05 1it1 n LEU 9 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.41 1it1 n LEU 9 CO 0.00 -1.31 0.15 -0.54 0.00 0.00 0.00 177.39 175.69 1it1 s LYS 10 N -2.27 0.57 -0.97 1.96 1.02 -1.26 -3.24 119.74 115.55 1it1 s LYS 10 Ca 0.00 0.94 -0.21 0.00 0.02 0.00 0.00 55.97 56.72 1it1 s LYS 10 Cb 0.00 0.51 0.09 0.00 -0.52 0.00 0.00 37.83 37.91 1it1 s LYS 10 CO 0.00 -0.69 1.28 -1.64 -0.92 0.00 0.00 175.35 173.38 1it1 s MET 11 N 2.85 3.58 -0.11 1.68 -1.94 0.80 -4.77 119.30 121.40 1it1 s MET 11 Ca 0.19 -1.42 0.16 0.00 -1.71 0.00 0.00 55.69 52.91 1it1 s MET 11 Cb -0.14 -5.11 0.60 0.00 2.01 0.00 0.00 34.83 32.19 1it1 s MET 11 CO -0.22 -1.99 1.52 -0.40 -0.01 0.00 0.00 175.02 173.92 1it1 n ASP 12 N 7.72 4.26 -0.24 3.03 5.68 -1.26 -0.66 116.55 135.09 1it1 n ASP 12 Ca 0.28 -2.49 0.25 0.00 -0.50 0.00 0.00 54.79 52.32 1it1 n ASP 12 Cb 0.50 -0.51 0.62 0.00 -1.14 0.00 0.00 41.12 40.59 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 3.21 0.20 -5.91 0.11 1.79 -1.92 -3.42 116.57 110.64 1it1 h LYS 13 Ca 0.00 -0.01 -0.58 0.00 -2.18 0.00 0.00 60.65 57.88 1it1 h LYS 13 Cb 1.33 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.88 1it1 h LYS 13 CO 0.19 0.13 -0.36 0.95 -1.08 0.00 0.00 179.45 179.29 1it1 s THR 14 N -5.22 1.84 0.52 -0.16 -4.23 -1.26 -4.98 115.64 102.16 1it1 s THR 14 Ca -0.07 -1.54 0.33 0.00 -1.18 0.00 0.00 61.69 59.24 1it1 s THR 14 Cb 0.23 -2.38 0.36 0.00 1.34 0.00 0.00 72.50 72.05 1it1 s THR 14 CO 0.78 0.00 2.21 0.11 -0.54 0.00 0.00 174.62 177.19 1it1 h LYS 15 N 0.93 0.00 -3.50 3.99 6.56 -1.96 -3.28 116.57 119.30 1it1 h LYS 15 Ca -0.39 0.00 -0.76 0.00 -1.06 0.00 0.00 60.65 58.44 1it1 h LYS 15 Cb 1.29 0.00 -0.31 0.00 -0.57 0.00 0.00 32.23 32.65 1it1 h LYS 15 CO 0.60 0.04 0.22 -0.65 -2.06 0.00 0.00 179.45 177.60 1it1 s GLN 16 N -4.31 3.80 0.43 3.15 -0.21 -1.26 -5.04 119.66 116.21 1it1 s GLN 16 Ca -0.04 -3.16 -0.25 0.00 0.02 0.00 0.00 55.36 51.93 1it1 s GLN 16 Cb 0.14 -4.32 -0.08 0.00 1.00 0.00 0.00 33.01 29.74 1it1 s GLN 16 CO 0.52 -1.25 1.25 -1.25 -2.12 0.00 0.00 175.29 172.45 1it1 s PRO 17 N -1.15 3.88 -0.01 2.91 0.04 -1.24 -4.87 135.00 134.55 1it1 s PRO 17 Ca 0.28 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.37 1it1 s PRO 17 Cb -0.09 -2.64 -0.00 0.00 0.04 0.00 0.00 34.50 31.81 1it1 s PRO 17 CO -0.09 -0.52 -0.07 0.08 0.04 0.00 0.00 177.00 176.43 1it1 s VAL 18 N -1.35 0.59 -0.15 -0.36 1.01 0.17 -4.77 120.40 115.55 1it1 s VAL 18 Ca 0.59 -0.29 -0.21 0.00 0.00 0.00 0.00 61.98 62.07 1it1 s VAL 18 Cb -0.35 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1it1 s VAL 18 CO 0.44 0.18 0.63 -0.69 0.00 0.00 0.00 175.10 175.66 1it1 s VAL 19 N 0.03 5.05 -0.32 2.92 1.01 -1.26 0.28 120.40 128.11 1it1 s VAL 19 Ca 0.00 1.22 -0.08 0.00 0.00 0.00 0.00 61.98 63.12 1it1 s VAL 19 Cb -0.05 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.39 1it1 s VAL 19 CO -0.00 0.18 0.12 0.12 0.00 0.00 0.00 175.10 175.52 1it1 s PHE 20 N 1.41 3.19 -0.66 5.22 5.36 -1.20 -4.82 117.98 126.48 1it1 s PHE 20 Ca 0.31 -0.96 -0.22 0.00 -0.96 0.00 0.00 56.93 55.09 1it1 s PHE 20 Cb -0.16 -2.31 0.08 0.00 -0.34 0.00 0.00 43.02 40.28 1it1 s PHE 20 CO 0.12 -0.59 0.94 -0.80 -1.46 0.00 0.00 175.22 173.43 1it1 s ASN 21 N 1.52 6.18 0.42 6.13 0.01 -1.26 -2.61 114.94 125.33 1it1 s ASN 21 Ca 0.02 -1.06 0.21 0.00 -0.71 0.00 0.00 52.86 51.32 1it1 s ASN 21 Cb -0.18 -2.40 1.16 0.00 0.41 0.00 0.00 41.25 40.24 1it1 s ASN 21 CO 0.04 -1.40 1.80 0.45 -1.51 0.00 0.00 177.10 176.48 1it1 h HIS 22 N 9.51 0.54 -0.80 2.20 3.86 -1.85 0.18 115.15 128.79 1it1 h HIS 22 Ca -0.28 0.02 0.17 0.00 -1.16 0.00 0.00 60.37 59.12 1it1 h HIS 22 Cb 1.07 -0.16 -0.11 0.00 1.06 0.00 0.00 27.41 29.28 1it1 h HIS 22 CO 0.96 0.07 0.31 0.66 0.86 0.00 0.00 177.93 180.78 1it1 h SER 23 N 0.34 0.25 0.44 2.45 4.64 -1.89 2.87 113.55 122.65 1it1 h SER 23 Ca 0.56 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 62.01 1it1 h SER 23 Cb 1.53 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.74 1it1 h SER 23 CO -0.23 0.05 0.00 0.41 -0.87 0.00 0.00 176.83 176.19 1it1 n THR 24 N -5.04 1.04 -0.02 2.95 -1.04 0.63 -2.43 114.28 110.36 1it1 n THR 24 Ca 0.17 0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.44 1it1 n THR 24 Cb 0.50 -1.03 0.00 0.00 -1.82 0.00 0.00 70.33 67.98 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 0.12 -1.42 8.25 0.55 -4.63 115.22 116.60 1it1 n HIS 25 Ca 0.04 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.69 1it1 n HIS 25 Cb 0.15 0.00 0.69 0.00 1.12 0.00 0.00 29.99 31.95 1it1 n HIS 25 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1it1 h LYS 26 N 0.00 0.00 -0.01 -0.41 2.10 0.46 1.96 116.57 120.67 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 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1it1 h LYS 26 CO 0.00 0.00 -0.28 0.00 -2.00 0.00 0.00 179.45 177.17 1it1 n ALA 27 N -2.18 3.13 -1.94 0.07 0.00 -1.26 -4.91 120.51 113.41 1it1 n ALA 27 Ca 0.07 -0.49 -0.29 0.00 0.00 0.00 0.00 53.44 52.73 1it1 n ALA 27 Cb 0.70 -1.03 0.17 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.41 2.02 -0.54 0.00 1.01 0.66 -4.99 120.40 116.16 1it1 s VAL 28 Ca 0.24 -0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.91 1it1 s VAL 28 Cb 0.19 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.70 1it1 s VAL 28 CO 0.50 0.00 0.77 -0.54 0.00 0.00 0.00 175.10 175.83 1it1 s LYS 29 N -5.75 3.20 0.62 2.72 3.01 -1.26 -4.86 119.74 117.41 1it1 s LYS 29 Ca 0.72 -0.67 0.24 0.00 -1.01 0.00 0.00 55.97 55.26 1it1 s LYS 29 Cb -0.04 -4.09 1.10 0.00 -1.01 0.00 0.00 37.83 33.78 1it1 s LYS 29 CO 0.51 -1.37 1.56 0.00 0.51 0.00 0.00 175.35 176.56 1it1 n GLY 31 N -1.54 -1.39 0.14 0.00 0.00 -1.26 -1.40 105.19 99.73 1it1 n GLY 31 Ca 0.11 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 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 0.67 0.00 1.61 1.82 0.54 -1.37 116.42 119.70 1it1 h ASP 32 Ca 0.00 -0.70 -0.04 0.00 -0.39 0.00 0.00 57.03 55.90 1it1 h ASP 32 Cb 0.66 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.44 1it1 h ASP 32 CO 0.00 1.54 -0.51 0.00 -1.61 0.00 0.00 179.24 178.66 1it1 n HIS 34 N -4.62 1.35 -0.74 0.00 8.25 -0.50 -4.99 115.22 113.98 1it1 n HIS 34 Ca -0.10 -1.87 -0.26 0.00 -0.26 0.00 0.00 57.72 55.22 1it1 n HIS 34 Cb 0.29 -1.27 0.03 0.00 1.12 0.00 0.00 29.99 30.16 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 0.94 -3.59 -1.86 4.41 1.44 -0.52 -3.68 115.22 112.37 1it1 n HIS 35 Ca 0.42 0.01 -0.38 0.00 -2.01 0.00 0.00 57.72 55.76 1it1 n HIS 35 Cb 0.60 -1.05 -0.03 0.00 0.12 0.00 0.00 29.99 29.63 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 -1.36 2.47 0.18 -1.40 0.04 -1.26 -3.53 135.00 130.14 1it1 s PRO 36 Ca 0.30 0.94 0.05 0.00 0.04 0.00 0.00 61.00 62.33 1it1 s PRO 36 Cb -0.16 -4.45 -0.04 0.00 0.04 0.00 0.00 34.50 29.90 1it1 s PRO 36 CO 0.58 -2.89 0.19 0.08 0.04 0.00 0.00 177.00 175.00 1it1 s VAL 37 N 10.12 4.68 -0.75 -0.36 1.01 0.11 -4.38 120.40 130.84 1it1 s VAL 37 Ca 0.79 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1it1 s VAL 37 Cb -0.15 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1it1 s VAL 37 CO 0.23 -0.16 0.00 -3.20 0.00 0.00 0.00 175.10 171.97 1it1 n ASN 38 N -0.58 -2.55 0.00 3.32 2.85 -1.26 0.32 115.26 117.36 1it1 n ASN 38 Ca -0.08 0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 1it1 n ASN 38 Cb 0.55 -2.35 0.00 0.00 1.24 0.00 0.00 39.78 39.22 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 -0.47 1.66 2.92 8.20 0.00 -1.26 -5.00 105.19 111.24 1it1 n GLY 39 Ca -0.09 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 -0.41 0.06 -0.24 1.61 -2.85 0.94 -5.01 119.74 113.83 1it1 s LYS 40 Ca 0.00 0.10 -0.28 0.00 -1.00 0.00 0.00 55.97 54.79 1it1 s LYS 40 Cb 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 37.83 35.73 1it1 s LYS 40 CO 0.00 -0.03 1.97 -1.21 0.10 0.00 0.00 175.35 176.18 1it1 s GLU 41 N 0.16 3.38 -0.52 1.78 2.02 -1.26 0.06 118.70 124.32 1it1 s GLU 41 Ca -0.01 1.81 -0.26 0.00 0.02 0.00 0.00 54.97 56.53 1it1 s GLU 41 Cb -0.02 -4.25 -0.04 0.00 0.10 0.00 0.00 34.13 29.92 1it1 s GLU 41 CO -0.00 -1.81 2.13 -0.51 0.02 0.00 0.00 175.26 175.08 1it1 s ASP 42 N 6.64 4.93 -1.54 -0.19 1.11 -1.23 -4.82 116.67 121.56 1it1 s ASP 42 Ca 0.88 0.81 -0.09 0.00 0.18 0.00 0.00 52.55 54.33 1it1 s ASP 42 Cb -0.29 -2.52 -0.03 0.00 1.07 0.00 0.00 42.92 41.16 1it1 s ASP 42 CO 0.34 -2.55 2.76 -1.22 1.18 0.00 0.00 175.17 175.68 1it1 n TYR 43 N 14.01 2.56 -4.27 4.23 4.01 -1.26 -4.74 117.16 131.70 1it1 n TYR 43 Ca 0.28 -3.02 -0.15 0.00 -0.16 0.00 0.00 57.90 54.84 1it1 n TYR 43 Cb 0.53 -2.35 -0.10 0.00 -0.31 0.00 0.00 39.34 37.11 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 1.53 1.40 0.16 -0.72 -2.07 -1.26 -5.02 119.66 113.67 1it1 s GLN 44 Ca 0.64 -1.77 -0.32 0.00 -1.82 0.00 0.00 55.36 52.09 1it1 s GLN 44 Cb 0.18 0.02 -0.17 0.00 -1.09 0.00 0.00 33.01 31.95 1it1 s GLN 44 CO -0.07 -0.39 0.94 1.63 -1.32 0.00 0.00 175.29 176.08 1it1 n LYS 45 N -0.43 0.61 -0.30 9.60 5.02 -1.26 -4.79 118.16 126.60 1it1 n LYS 45 Ca 0.02 0.21 0.09 0.00 -2.02 0.00 0.00 58.31 56.61 1it1 n LYS 45 Cb 0.66 -1.56 0.25 0.00 -0.02 0.00 0.00 35.03 34.36 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 -2.45 6.37 -0.69 0.00 0.00 -1.26 -1.06 120.51 121.43 1it1 n ALA 47 Ca 0.19 -4.19 -0.06 0.00 0.00 0.00 0.00 53.44 49.37 1it1 n ALA 47 Cb 0.51 -2.16 0.10 0.00 0.00 0.00 0.00 19.45 17.89 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 -1.08 0.00 -1.04 -0.79 -4.43 114.28 106.95 1it1 n THR 48 Ca 0.52 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 62.20 1it1 n THR 48 Cb 0.28 -0.34 -0.02 0.00 -1.82 0.00 0.00 70.33 68.42 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 -3.51 6.11 0.00 2.41 0.00 -1.26 -2.54 120.51 121.72 1it1 n ALA 49 Ca -0.07 -2.88 0.00 0.00 0.00 0.00 0.00 53.44 50.49 1it1 n ALA 49 Cb 0.21 -3.23 0.00 0.00 0.00 0.00 0.00 19.45 16.43 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 3.72 0.42 0.00 0.00 0.00 -1.26 -5.09 105.19 102.98 1it1 n GLY 50 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 0.41 -0.93 0.00 8.25 -0.23 -4.43 115.22 118.29 1it1 n HIS 52 Ca 0.00 -1.70 -0.10 0.00 -0.26 0.00 0.00 57.72 55.66 1it1 n HIS 52 Cb 0.00 -1.69 0.26 0.00 1.12 0.00 0.00 29.99 29.67 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 2.73 4.43 -4.59 0.41 5.75 -1.19 -3.18 116.55 120.91 1it1 n ASP 53 Ca 0.47 -3.22 -0.42 0.00 -0.01 0.00 0.00 54.79 51.60 1it1 n ASP 53 Cb 0.76 -0.75 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 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 -0.95 6.48 0.00 -1.12 2.47 -1.17 -4.84 114.94 115.80 1it1 s ASN 54 Ca 0.52 0.22 0.00 0.00 0.42 0.00 0.00 52.86 54.02 1it1 s ASN 54 Cb 0.42 -2.55 0.02 0.00 -1.45 0.00 0.00 41.25 37.69 1it1 s ASN 54 CO 0.12 -1.43 0.99 0.23 -3.72 0.00 0.00 177.10 173.29 1it1 n MET 55 N 8.29 0.98 0.00 0.43 2.81 -1.26 -3.21 117.12 125.16 1it1 n MET 55 Ca 0.10 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 56.13 1it1 n MET 55 Cb 0.49 -1.01 0.64 0.00 -0.71 0.00 0.00 33.22 32.64 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 -0.51 0.00 -1.99 7.83 -0.08 -1.26 -4.86 116.55 115.68 1it1 n ASP 56 Ca 0.00 0.37 -0.03 0.00 -1.51 0.00 0.00 54.79 53.63 1it1 n ASP 56 Cb 0.00 -0.46 -0.00 0.00 2.34 0.00 0.00 41.12 43.00 1it1 n ASP 56 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1it1 n LYS 57 N -1.46 -2.22 0.00 -0.67 0.00 -1.22 -4.51 118.16 108.09 1it1 n LYS 57 Ca 0.08 0.13 0.00 0.00 0.00 0.00 0.00 58.31 58.53 1it1 n LYS 57 Cb 0.32 -4.49 0.00 0.00 0.00 0.00 0.00 35.03 30.86 1it1 n LYS 57 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1it1 n LYS 58 N -2.08 2.45 -1.49 1.64 -0.00 -1.26 -4.85 118.16 112.57 1it1 n LYS 58 Ca -0.03 0.00 -0.48 0.00 -0.00 0.00 0.00 58.31 57.80 1it1 n LYS 58 Cb 0.37 -0.63 -0.06 0.00 -0.00 0.00 0.00 35.03 34.71 1it1 n LYS 58 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1it1 n ASP 59 N -0.70 2.46 -1.27 -5.58 2.03 -1.26 -4.78 116.55 107.44 1it1 n ASP 59 Ca 0.00 0.34 -0.03 0.00 0.52 0.00 0.00 54.79 55.61 1it1 n ASP 59 Cb 0.08 -1.35 0.12 0.00 -0.72 0.00 0.00 41.12 39.25 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 8.38 2.07 0.00 -0.67 4.76 -1.26 -4.29 118.16 127.15 1it1 n LYS 60 Ca 0.38 -1.25 0.00 0.00 -2.87 0.00 0.00 58.31 54.57 1it1 n LYS 60 Cb 0.30 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 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 0.05 0.00 -1.95 4.39 2.88 -1.26 -4.99 113.62 112.74 1it1 n SER 61 Ca 0.17 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.73 1it1 n SER 61 Cb 0.80 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.63 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 4.20 -0.09 -1.46 0.00 -1.26 -4.18 120.51 114.72 1it1 n ALA 62 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.33 1it1 n ALA 62 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 0.29 3.21 -2.58 0.00 3.00 -1.26 -4.76 118.16 116.05 1it1 n LYS 63 Ca 0.34 -0.12 -0.35 0.00 -0.00 0.00 0.00 58.31 58.18 1it1 n LYS 63 Cb 1.29 -0.52 -0.04 0.00 0.00 0.00 0.00 35.03 35.75 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 -0.49 2.64 0.27 3.14 0.00 -1.26 -3.07 107.32 108.54 1it1 s GLY 64 Ca 0.00 0.63 0.23 0.00 0.00 0.00 0.00 44.72 45.58 1it1 s GLY 64 CO 0.00 1.01 1.31 -1.82 0.00 0.00 0.00 173.10 173.61 1it1 h TYR 65 N 2.18 0.00 0.01 1.90 3.20 -1.51 -3.33 116.97 119.42 1it1 h TYR 65 Ca -0.49 0.00 -0.38 0.00 3.14 0.00 0.00 58.73 61.00 1it1 h TYR 65 Cb 1.21 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.42 1it1 h TYR 65 CO 0.58 0.00 -2.38 0.98 -1.64 0.00 0.00 178.16 175.70 1it1 n TYR 66 N -2.71 0.17 0.00 -3.82 4.19 -1.26 -4.24 117.16 109.49 1it1 n TYR 66 Ca 0.02 0.04 0.00 0.00 3.31 0.00 0.00 57.90 61.27 1it1 n TYR 66 Cb 0.52 -1.02 0.00 0.00 0.49 0.00 0.00 39.34 39.33 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 -3.15 0.00 0.26 2.98 -0.00 -1.26 -0.05 115.22 114.01 1it1 n HIS 67 Ca -0.40 0.00 0.09 0.00 0.46 0.00 0.00 57.72 57.87 1it1 n HIS 67 Cb 1.04 -0.41 0.38 0.00 -0.12 0.00 0.00 29.99 30.88 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 -1.95 1.87 0.05 1.57 0.00 -1.81 0.97 119.26 119.96 1it1 h ALA 68 Ca 0.00 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 1it1 h ALA 68 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1it1 h ALA 68 CO 0.00 -0.81 -1.93 -1.33 0.00 0.00 0.00 179.25 175.18 1it1 n MET 69 N -2.79 0.66 0.06 0.00 2.81 -0.93 -3.64 117.12 113.29 1it1 n MET 69 Ca 0.02 0.34 0.11 0.00 -1.81 0.00 0.00 57.70 56.36 1it1 n MET 69 Cb 0.81 -1.66 -0.06 0.00 -0.71 0.00 0.00 33.22 31.59 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 -3.83 0.62 -2.74 2.03 -0.00 0.93 0.90 115.22 113.12 1it1 n HIS 70 Ca -0.37 0.18 -0.42 0.00 -0.00 0.00 0.00 57.72 57.11 1it1 n HIS 70 Cb 0.91 -0.80 -0.03 0.00 -0.00 0.00 0.00 29.99 30.07 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 -5.06 7.15 -0.10 0.41 1.11 0.32 -4.50 116.67 116.00 1it1 s ASP 71 Ca -0.03 1.42 -0.17 0.00 0.18 0.00 0.00 52.55 53.94 1it1 s ASP 71 Cb 0.11 -2.53 -0.27 0.00 1.07 0.00 0.00 42.92 41.30 1it1 s ASP 71 CO 0.83 -0.46 0.60 0.07 1.18 0.00 0.00 175.17 177.40 1it1 h LYS 72 N 7.19 0.24 -3.26 8.23 2.10 -1.89 -3.37 116.57 125.81 1it1 h LYS 72 Ca -0.29 -0.40 -0.35 0.00 -2.00 0.00 0.00 60.65 57.61 1it1 h LYS 72 Cb 1.13 0.15 0.01 0.00 -0.90 0.00 0.00 32.23 32.62 1it1 h LYS 72 CO 0.87 1.19 2.24 0.41 -2.00 0.00 0.00 179.45 182.16 1it1 n GLY 73 N 1.71 3.01 3.78 0.07 0.00 -1.26 -4.56 105.19 107.94 1it1 n GLY 73 Ca -0.23 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 1it1 n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1it1 s THR 74 N 3.11 4.06 0.41 2.61 -4.23 -1.26 -4.97 115.64 115.38 1it1 s THR 74 Ca 0.40 -1.54 0.29 0.00 -1.18 0.00 0.00 61.69 59.67 1it1 s THR 74 Cb 0.12 -3.23 0.45 0.00 1.34 0.00 0.00 72.50 71.18 1it1 s THR 74 CO -0.03 -0.33 1.50 1.17 -0.54 0.00 0.00 174.62 176.39 1it1 n LYS 75 N -1.13 -0.04 -4.42 3.99 3.00 -1.26 -4.50 118.16 113.80 1it1 n LYS 75 Ca -0.07 1.23 -0.22 0.00 -0.00 0.00 0.00 58.31 59.25 1it1 n LYS 75 Cb 0.58 -2.37 -0.09 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 -5.23 1.73 -0.27 5.64 0.08 -1.26 -5.08 117.98 113.58 1it1 s PHE 76 Ca -0.07 -1.35 -0.29 0.00 0.12 0.00 0.00 56.93 55.33 1it1 s PHE 76 Cb 0.30 -1.00 -0.02 0.00 -0.57 0.00 0.00 43.02 41.74 1it1 s PHE 76 CO 0.78 -0.44 1.54 -1.59 -0.10 0.00 0.00 175.22 175.40 1it1 s LYS 77 N -3.71 3.75 0.94 0.44 -2.85 -1.26 -4.91 119.74 112.14 1it1 s LYS 77 Ca 0.31 1.47 -0.15 0.00 -1.00 0.00 0.00 55.97 56.59 1it1 s LYS 77 Cb 0.04 -4.01 0.17 0.00 -2.06 0.00 0.00 37.83 31.97 1it1 s LYS 77 CO 0.18 -1.34 1.27 -1.54 0.10 0.00 0.00 175.35 174.02 1it1 s SER 78 N 4.05 3.32 0.04 0.03 1.04 -1.26 -4.58 113.70 116.33 1it1 s SER 78 Ca 0.68 0.44 -0.19 0.00 0.48 0.00 0.00 55.95 57.35 1it1 s SER 78 Cb -0.22 -0.62 -0.10 0.00 0.10 0.00 0.00 66.02 65.19 1it1 s SER 78 CO 0.29 -2.62 1.29 0.00 0.98 0.00 0.00 173.24 173.18 1it1 h VAL 80 N -0.61 1.26 -0.46 0.00 2.07 0.22 0.51 116.25 119.24 1it1 h VAL 80 Ca -0.05 -1.54 -0.10 0.00 0.82 0.00 0.00 66.70 65.83 1it1 h VAL 80 Cb 0.49 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1it1 h VAL 80 CO 0.03 0.43 -0.11 1.23 0.02 0.00 0.00 177.57 179.18 1it1 h GLY 81 N 1.43 0.97 2.00 2.17 0.00 -1.58 0.16 103.07 108.22 1it1 h GLY 81 Ca -0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.49 1it1 h GLY 81 CO 0.06 0.72 -0.20 0.00 0.00 0.00 0.00 176.54 177.13 1it1 h HIS 83 N 0.00 -0.24 -0.18 0.00 3.86 -0.45 0.29 115.15 118.44 1it1 h HIS 83 Ca -0.00 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 1it1 h HIS 83 Cb 1.10 0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.64 1it1 h HIS 83 CO 0.00 -0.15 0.51 1.25 0.86 0.00 0.00 177.93 180.40 1it1 h LEU 84 N -0.85 0.00 0.09 2.43 6.46 -0.81 0.81 115.31 123.43 1it1 h LEU 84 Ca -0.03 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 57.41 1it1 h LEU 84 Cb 0.19 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 1it1 h LEU 84 CO 0.04 0.00 -1.76 -0.08 -0.62 0.00 0.00 178.44 176.03 1it1 h GLU 85 N 0.00 0.19 0.00 1.25 4.22 -1.50 -2.95 114.58 115.78 1it1 h GLU 85 Ca 0.09 -0.32 0.00 0.00 0.08 0.00 0.00 59.36 59.21 1it1 h GLU 85 Cb 1.11 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1it1 h GLU 85 CO -0.00 1.15 0.00 2.41 -2.18 0.00 0.00 179.01 180.39 1it1 n THR 86 N -3.80 0.38 -1.51 0.32 -1.04 0.10 -2.23 114.28 106.51 1it1 n THR 86 Ca -0.32 0.09 0.05 0.00 -2.04 0.00 0.00 64.05 61.84 1it1 n THR 86 Cb 0.93 -0.86 0.07 0.00 -1.82 0.00 0.00 70.33 68.65 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 -1.18 2.11 0.29 2.41 0.00 -0.34 -4.76 120.51 119.05 1it1 n ALA 87 Ca 0.09 -1.78 0.04 0.00 0.00 0.00 0.00 53.44 51.78 1it1 n ALA 87 Cb 0.09 -0.43 0.18 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.70 -0.73 0.00 0.00 0.00 -0.95 -2.06 105.19 100.75 1it1 n GLY 88 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.46 1.63 -3.68 4.61 0.00 -1.26 -4.90 120.51 115.45 1it1 n ALA 89 Ca 0.02 -0.47 -0.28 0.00 0.00 0.00 0.00 53.44 52.71 1it1 n ALA 89 Cb 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.19 3.36 0.59 0.00 -1.08 -0.87 -4.94 116.67 113.54 1it1 s ASP 90 Ca 0.00 -3.35 0.27 0.00 -0.52 0.00 0.00 52.55 48.95 1it1 s ASP 90 Cb 0.00 -1.09 0.94 0.00 -1.46 0.00 0.00 42.92 41.31 1it1 s ASP 90 CO 0.00 -0.15 1.28 0.00 0.52 0.00 0.00 175.17 176.82 1it1 n ALA 91 N 2.56 1.03 0.07 3.66 0.00 -1.26 0.27 120.51 126.84 1it1 n ALA 91 Ca 0.22 0.35 -0.21 0.00 0.00 0.00 0.00 53.44 53.80 1it1 n ALA 91 Cb 0.40 -0.62 -0.13 0.00 0.00 0.00 0.00 19.45 19.10 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 0.54 0.01 0.00 0.00 0.00 -1.92 -2.98 119.26 114.91 1it1 h ALA 92 Ca 0.51 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1it1 h ALA 92 Cb 2.92 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 20.80 1it1 h ALA 92 CO -0.01 0.61 -0.07 0.87 0.00 0.00 0.00 179.25 180.65 1it1 h LYS 93 N 0.17 0.00 -0.04 0.00 1.57 0.35 -2.38 116.57 116.24 1it1 h LYS 93 Ca -0.16 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.43 1it1 h LYS 93 Cb 1.78 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.08 1it1 h LYS 93 CO 0.21 0.07 -0.80 0.87 -0.57 0.00 0.00 179.45 179.23 1it1 h LYS 94 N 0.00 0.33 0.00 3.15 1.57 -1.09 0.59 116.57 121.12 1it1 h LYS 94 Ca -0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1it1 h LYS 94 Cb 0.47 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1it1 h LYS 94 CO 0.01 0.97 0.00 1.57 -0.57 0.00 0.00 179.45 181.43 1it1 h LYS 95 N 0.21 0.00 0.03 3.15 5.09 -1.29 -0.25 116.57 123.51 1it1 h LYS 95 Ca -0.04 0.00 -0.39 0.00 0.09 0.00 0.00 60.65 60.31 1it1 h LYS 95 Cb 1.39 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 33.67 1it1 h LYS 95 CO 0.13 0.00 -2.34 -0.85 -2.09 0.00 0.00 179.45 174.30 1it1 n GLU 96 N -2.98 0.67 -0.03 0.07 0.28 -1.01 -2.82 120.64 114.82 1it1 n GLU 96 Ca 0.04 0.19 -0.08 0.00 -0.16 0.00 0.00 57.16 57.16 1it1 n GLU 96 Cb 0.49 -1.57 -0.06 0.00 1.43 0.00 0.00 31.44 31.72 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 -0.07 -0.05 0.00 -1.84 3.38 0.10 0.48 115.31 117.30 1it1 h LEU 97 Ca -0.55 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 56.99 1it1 h LEU 97 Cb 1.90 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1it1 h LEU 97 CO -0.07 0.63 -1.03 0.35 0.09 0.00 0.00 178.44 178.42 1it1 n THR 98 N -4.76 0.02 -1.68 0.22 -2.24 -0.57 -4.75 114.28 100.52 1it1 n THR 98 Ca -0.05 -0.08 -0.49 0.00 -2.27 0.00 0.00 64.05 61.15 1it1 n THR 98 Cb 0.24 0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 69.10 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 1.46 1.40 0.04 3.38 0.00 -0.21 -4.88 105.19 106.38 1it1 n GLY 99 Ca 0.03 0.86 -0.00 0.00 0.00 0.00 0.00 46.02 46.91 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 4.42 -2.66 0.00 5.02 -1.26 -4.18 118.16 115.33 1it1 n LYS 101 Ca -0.00 -2.88 -0.04 0.00 -2.02 0.00 0.00 58.31 53.37 1it1 n LYS 101 Cb 0.00 -2.14 0.12 0.00 -0.02 0.00 0.00 35.03 32.99 1it1 n LYS 101 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1it1 n GLY 102 N 0.69 1.69 0.00 0.72 0.00 -1.26 -5.02 105.19 102.01 1it1 n GLY 102 Ca 0.26 -0.15 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 -1.14 0.00 -0.06 1.61 3.41 -1.13 -4.45 113.62 111.86 1it1 n SER 103 Ca -0.12 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.48 1it1 n SER 103 Cb 0.86 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.66 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 0.08 4.33 4.76 0.16 -4.37 118.16 123.93 1it1 n LYS 104 Ca 0.00 -0.08 -0.09 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 s HIS 106 N -2.78 3.55 -2.07 0.00 3.76 -1.26 -4.51 115.29 111.98 1it1 s HIS 106 Ca -0.01 -3.18 0.31 0.00 -0.15 0.00 0.00 55.06 52.04 1it1 s HIS 106 Cb 0.09 -2.90 1.78 0.00 1.11 0.00 0.00 32.58 32.67 1it1 s HIS 106 CO 0.83 -0.66 2.16 0.43 -0.85 0.00 0.00 174.74 176.65