#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2i n PRO 2 N 0.00 0.00 0.00 0.00 -0.04 -1.26 -5.09 135.00 128.61 1a2i n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1a2i n PRO 2 Cb 0.00 -0.28 0.00 0.00 -0.04 0.00 0.00 33.50 33.18 1a2i n PRO 2 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1a2i n LYS 3 N -0.15 0.00 -2.01 0.54 4.81 -1.26 -5.14 118.16 114.95 1a2i n LYS 3 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 1a2i n LYS 3 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 1a2i n LYS 3 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a2i s ALA 4 N -2.00 3.29 0.78 3.14 0.00 -1.26 -4.99 121.76 120.72 1a2i s ALA 4 Ca 0.00 1.29 -0.11 0.00 0.00 0.00 0.00 51.96 53.14 1a2i s ALA 4 Cb 0.00 -3.51 0.06 0.00 0.00 0.00 0.00 23.12 19.67 1a2i s ALA 4 CO 0.00 -0.88 1.09 -1.25 0.00 0.00 0.00 175.76 174.72 1a2i s PRO 5 N -2.23 2.22 0.27 0.00 0.04 -1.26 -5.04 135.00 129.00 1a2i s PRO 5 Ca 0.57 0.69 -0.04 0.00 0.04 0.00 0.00 61.00 62.25 1a2i s PRO 5 Cb -0.39 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.28 1a2i s PRO 5 CO 0.51 -1.53 0.14 0.00 0.04 0.00 0.00 177.00 176.16 1a2i n ALA 6 N -3.38 -0.87 -2.97 8.56 0.00 -1.26 -4.73 120.51 115.86 1a2i n ALA 6 Ca 0.07 -0.25 -0.21 0.00 0.00 0.00 0.00 53.44 53.05 1a2i n ALA 6 Cb 0.56 -0.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 1a2i n ALA 6 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1a2i s ASP 7 N -1.93 6.31 0.00 0.00 1.47 -1.26 -4.52 116.67 116.74 1a2i s ASP 7 Ca 0.11 0.07 0.00 0.00 1.18 0.00 0.00 52.55 53.91 1a2i s ASP 7 Cb -0.02 -1.86 0.00 0.00 -0.34 0.00 0.00 42.92 40.70 1a2i s ASP 7 CO 0.09 -0.06 0.00 0.61 0.68 0.00 0.00 175.17 176.49 1a2i n GLY 8 N -1.37 0.86 3.55 2.12 0.00 -1.25 -4.99 105.19 104.11 1a2i n GLY 8 Ca -0.09 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 1a2i n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a2i s LEU 9 N 0.00 3.26 -0.08 0.99 1.98 -1.10 -4.89 118.68 118.84 1a2i s LEU 9 Ca 0.00 -0.38 -0.04 0.00 -2.89 0.00 0.00 54.13 50.82 1a2i s LEU 9 Cb 0.00 -2.55 -0.04 0.00 0.66 0.00 0.00 46.19 44.26 1a2i s LEU 9 CO 0.00 -2.11 0.12 -0.75 -1.89 0.00 0.00 176.35 171.71 1a2i s LYS 10 N 6.26 3.31 -0.23 1.98 2.20 -1.26 -0.56 119.74 131.44 1a2i s LYS 10 Ca 0.53 -0.26 0.02 0.00 -0.36 0.00 0.00 55.97 55.89 1a2i s LYS 10 Cb -0.08 -3.06 0.05 0.00 -1.51 0.00 0.00 37.83 33.23 1a2i s LYS 10 CO 0.10 0.73 -0.10 0.00 -0.36 0.00 0.00 175.35 175.72 1a2i s MET 11 N -1.29 2.08 -0.88 4.03 0.23 0.40 -4.96 119.30 118.90 1a2i s MET 11 Ca 0.18 -1.06 0.01 0.00 -1.03 0.00 0.00 55.69 53.79 1a2i s MET 11 Cb -0.12 -2.64 0.29 0.00 -1.53 0.00 0.00 34.83 30.83 1a2i s MET 11 CO 0.08 -0.51 1.20 -1.91 -2.03 0.00 0.00 175.02 171.86 1a2i n GLU 12 N 4.58 3.76 0.00 3.16 0.00 -1.26 -2.57 120.64 128.31 1a2i n GLU 12 Ca -0.14 -4.63 0.11 0.00 0.00 0.00 0.00 57.16 52.49 1a2i n GLU 12 Cb 0.44 -2.39 -0.02 0.00 0.00 0.00 0.00 31.44 29.47 1a2i n GLU 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1a2i n ALA 13 N 0.91 4.33 -2.45 4.31 0.00 -1.26 -4.96 120.51 121.38 1a2i n ALA 13 Ca 0.30 -0.56 -0.23 0.00 0.00 0.00 0.00 53.44 52.94 1a2i n ALA 13 Cb 0.36 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 18.88 1a2i n ALA 13 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1a2i s THR 14 N -2.90 0.53 -0.77 0.00 -4.23 -1.26 -5.00 115.64 102.01 1a2i s THR 14 Ca 0.11 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.74 1a2i s THR 14 Cb 0.17 -2.42 0.12 0.00 1.34 0.00 0.00 72.50 71.70 1a2i s THR 14 CO 0.78 0.00 1.38 1.17 -0.54 0.00 0.00 174.62 177.41 1a2i n LYS 15 N -0.81 0.06 -3.87 3.99 4.81 -1.26 -4.05 118.16 117.03 1a2i n LYS 15 Ca -0.03 0.44 -0.30 0.00 -0.87 0.00 0.00 58.31 57.54 1a2i n LYS 15 Cb 0.65 -1.64 -0.15 0.00 0.02 0.00 0.00 35.03 33.90 1a2i n LYS 15 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1a2i s GLN 16 N -3.15 1.12 0.75 1.64 -1.52 -1.26 -5.12 119.66 112.12 1a2i s GLN 16 Ca 0.02 -1.39 -0.11 0.00 -1.95 0.00 0.00 55.36 51.94 1a2i s GLN 16 Cb 0.05 -2.55 0.04 0.00 -0.22 0.00 0.00 33.01 30.34 1a2i s GLN 16 CO 0.18 -0.92 1.08 -1.25 -0.25 0.00 0.00 175.29 174.13 1a2i s PRO 17 N 1.30 2.47 0.03 2.91 0.04 -1.26 -4.83 135.00 135.66 1a2i s PRO 17 Ca 0.08 0.78 -0.05 0.00 0.04 0.00 0.00 61.00 61.86 1a2i s PRO 17 Cb -0.18 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1a2i s PRO 17 CO -0.16 -1.39 0.08 0.08 0.04 0.00 0.00 177.00 175.65 1a2i s VAL 18 N -3.11 0.12 -0.24 -0.36 1.01 -1.06 -4.83 120.40 111.93 1a2i s VAL 18 Ca 0.60 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1a2i s VAL 18 Cb -0.14 -0.68 0.04 0.00 0.00 0.00 0.00 36.38 35.60 1a2i s VAL 18 CO 0.55 -0.54 -0.12 -0.69 0.00 0.00 0.00 175.10 174.30 1a2i s VAL 19 N -2.12 2.34 0.32 2.92 1.01 -1.26 -0.46 120.40 123.15 1a2i s VAL 19 Ca -0.09 -1.30 0.07 0.00 0.00 0.00 0.00 61.98 60.65 1a2i s VAL 19 Cb -0.04 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1a2i s VAL 19 CO -0.02 0.17 0.34 0.12 0.00 0.00 0.00 175.10 175.71 1a2i s PHE 20 N 1.21 3.05 -0.01 5.22 5.36 0.27 -4.90 117.98 128.18 1a2i s PHE 20 Ca -0.03 -0.22 -0.02 0.00 -0.96 0.00 0.00 56.93 55.70 1a2i s PHE 20 Cb -0.17 -1.79 0.00 0.00 -0.34 0.00 0.00 43.02 40.72 1a2i s PHE 20 CO -0.07 0.19 0.05 -0.80 -1.46 0.00 0.00 175.22 173.13 1a2i s ASN 21 N -4.03 -0.02 0.06 6.13 0.01 -1.26 -2.71 114.94 113.12 1a2i s ASN 21 Ca 0.41 0.02 0.22 0.00 -0.71 0.00 0.00 52.86 52.80 1a2i s ASN 21 Cb -0.08 0.11 -0.19 0.00 0.41 0.00 0.00 41.25 41.50 1a2i s ASN 21 CO 0.28 -0.07 0.73 1.41 -1.51 0.00 0.00 177.10 177.94 1a2i n HIS 22 N 2.80 0.39 1.70 2.20 8.25 -1.26 -3.79 115.22 125.51 1a2i n HIS 22 Ca -0.14 0.11 0.15 0.00 -0.26 0.00 0.00 57.72 57.58 1a2i n HIS 22 Cb 0.59 -0.67 0.83 0.00 1.12 0.00 0.00 29.99 31.86 1a2i n HIS 22 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1a2i n SER 23 N -2.41 0.00 -0.09 0.41 2.88 -1.26 -2.90 113.62 110.26 1a2i n SER 23 Ca -0.02 -0.69 -0.11 0.00 -1.33 0.00 0.00 58.87 56.72 1a2i n SER 23 Cb 0.55 -0.09 -0.10 0.00 -0.75 0.00 0.00 64.21 63.83 1a2i n SER 23 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1a2i n THR 24 N -1.09 1.04 -1.05 2.46 -1.04 -1.25 -4.45 114.28 108.90 1a2i n THR 24 Ca 0.20 -0.49 -0.24 0.00 -2.04 0.00 0.00 64.05 61.48 1a2i n THR 24 Cb 0.14 -0.96 0.13 0.00 -1.82 0.00 0.00 70.33 67.82 1a2i n THR 24 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1a2i n HIS 25 N -2.86 2.75 -0.20 -1.42 8.25 -1.19 -4.45 115.22 116.12 1a2i n HIS 25 Ca -0.30 -2.07 -0.09 0.00 -0.26 0.00 0.00 57.72 55.01 1a2i n HIS 25 Cb 0.90 -1.03 0.02 0.00 1.12 0.00 0.00 29.99 30.99 1a2i n HIS 25 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1a2i h LYS 26 N 1.22 0.94 0.00 -0.41 1.57 -1.75 -1.57 116.57 116.58 1a2i h LYS 26 Ca 0.55 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1a2i h LYS 26 Cb 2.02 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.23 1a2i h LYS 26 CO 1.12 0.92 0.00 0.66 -0.57 0.00 0.00 179.45 181.59 1a2i h SER 27 N 0.83 0.00 -3.49 0.86 4.64 -1.91 -3.43 113.55 111.05 1a2i h SER 27 Ca 0.16 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.95 1a2i h SER 27 Cb 0.46 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 1a2i h SER 27 CO 0.02 0.00 0.13 -0.69 -0.87 0.00 0.00 176.83 175.42 1a2i s VAL 28 N -3.39 4.47 0.28 0.95 1.01 -0.59 -5.03 120.40 118.10 1a2i s VAL 28 Ca 0.04 1.53 -0.29 0.00 0.00 0.00 0.00 61.98 63.26 1a2i s VAL 28 Cb 0.09 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 1a2i s VAL 28 CO 0.42 0.45 1.19 -0.75 0.00 0.00 0.00 175.10 176.41 1a2i s LYS 29 N -1.34 4.52 0.52 2.72 2.20 -1.26 -4.90 119.74 122.20 1a2i s LYS 29 Ca 0.36 1.95 0.22 0.00 -0.36 0.00 0.00 55.97 58.15 1a2i s LYS 29 Cb -0.21 -3.16 1.38 0.00 -1.51 0.00 0.00 37.83 34.33 1a2i s LYS 29 CO 0.24 0.03 2.11 0.00 -0.36 0.00 0.00 175.35 177.37 1a2i n GLY 31 N -1.10 -0.88 0.08 0.00 0.00 -1.26 -0.91 105.19 101.12 1a2i n GLY 31 Ca -0.03 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 1a2i n GLY 31 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1a2i h ASP 32 N 0.42 0.17 0.00 1.61 1.82 -0.84 -3.35 116.42 116.26 1a2i h ASP 32 Ca 0.00 -0.22 -0.15 0.00 -0.39 0.00 0.00 57.03 56.27 1a2i h ASP 32 Cb 0.16 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.09 1a2i h ASP 32 CO 0.00 1.18 -1.35 0.00 -1.61 0.00 0.00 179.24 177.46 1a2i n HIS 34 N -4.10 1.36 -1.28 0.00 8.25 -0.09 -4.93 115.22 114.44 1a2i n HIS 34 Ca -0.24 -2.15 -0.40 0.00 -0.26 0.00 0.00 57.72 54.68 1a2i n HIS 34 Cb 0.56 -1.87 0.01 0.00 1.12 0.00 0.00 29.99 29.81 1a2i n HIS 34 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1a2i n HIS 35 N 3.55 -2.46 -2.38 4.41 1.44 -1.26 -4.57 115.22 113.96 1a2i n HIS 35 Ca 0.54 0.53 -0.43 0.00 -2.01 0.00 0.00 57.72 56.34 1a2i n HIS 35 Cb 0.32 -1.74 -0.02 0.00 0.12 0.00 0.00 29.99 28.67 1a2i n HIS 35 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1a2i s PRO 36 N -1.05 3.88 -0.01 -1.40 0.04 -1.26 -4.78 135.00 130.43 1a2i s PRO 36 Ca 0.58 1.28 -0.00 0.00 0.04 0.00 0.00 61.00 62.90 1a2i s PRO 36 Cb -0.55 -3.91 -0.00 0.00 0.04 0.00 0.00 34.50 30.08 1a2i s PRO 36 CO 0.64 -1.17 -0.00 0.28 0.04 0.00 0.00 177.00 176.79 1a2i h VAL 37 N 6.02 0.00 -0.74 -0.36 2.07 -1.85 -3.38 116.25 118.00 1a2i h VAL 37 Ca -0.27 -0.05 -0.41 0.00 0.82 0.00 0.00 66.70 66.79 1a2i h VAL 37 Cb 1.11 0.00 -0.23 0.00 -1.52 0.00 0.00 31.29 30.65 1a2i h VAL 37 CO 1.03 0.00 0.53 -3.20 0.02 0.00 0.00 177.57 175.95 1a2i n ASN 38 N -2.24 4.34 0.00 0.57 2.85 -1.26 -4.77 115.26 114.75 1a2i n ASN 38 Ca -0.00 -3.25 0.00 0.00 -0.11 0.00 0.00 54.58 51.22 1a2i n ASN 38 Cb 0.01 -0.81 0.00 0.00 1.24 0.00 0.00 39.78 40.21 1a2i n ASN 38 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1a2i n GLY 39 N -0.63 0.92 3.41 8.20 0.00 -1.26 -5.01 105.19 110.83 1a2i n GLY 39 Ca 0.45 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 1a2i n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a2i s LYS 40 N -0.13 2.05 -1.15 1.61 -2.85 -1.26 -4.98 119.74 113.04 1a2i s LYS 40 Ca 0.00 -0.98 -0.06 0.00 -1.00 0.00 0.00 55.97 53.93 1a2i s LYS 40 Cb 0.00 -2.14 0.26 0.00 -2.06 0.00 0.00 37.83 33.89 1a2i s LYS 40 CO 0.00 0.54 1.60 0.39 0.10 0.00 0.00 175.35 177.99 1a2i n GLU 41 N 1.79 4.19 -2.54 1.78 1.02 -1.26 -3.19 120.64 122.44 1a2i n GLU 41 Ca -0.16 -4.23 -0.37 0.00 -0.02 0.00 0.00 57.16 52.38 1a2i n GLU 41 Cb 0.52 -2.65 -0.04 0.00 -0.02 0.00 0.00 31.44 29.25 1a2i n GLU 41 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1a2i s ASP 42 N -0.86 6.78 -0.96 1.62 -4.77 -1.26 -4.98 116.67 112.24 1a2i s ASP 42 Ca 0.34 2.05 -0.14 0.00 -3.30 0.00 0.00 52.55 51.50 1a2i s ASP 42 Cb 0.06 -2.59 0.20 0.00 -1.09 0.00 0.00 42.92 39.50 1a2i s ASP 42 CO 0.07 -0.48 1.02 -0.31 0.70 0.00 0.00 175.17 176.17 1a2i s TYR 43 N -1.63 3.63 0.43 2.11 2.02 -1.26 -4.88 117.35 117.78 1a2i s TYR 43 Ca 0.57 -1.96 0.04 0.00 -0.37 0.00 0.00 57.07 55.35 1a2i s TYR 43 Cb -0.23 -4.02 -0.04 0.00 -0.40 0.00 0.00 41.96 37.27 1a2i s TYR 43 CO 0.28 -1.18 0.04 1.03 -1.57 0.00 0.00 175.55 174.15 1a2i s ARG 44 N 0.82 1.99 0.06 -0.62 0.52 -1.26 -5.09 118.95 115.37 1a2i s ARG 44 Ca 0.28 -2.20 -0.29 0.00 -0.52 0.00 0.00 55.73 53.00 1a2i s ARG 44 Cb -0.08 -1.26 -0.05 0.00 0.52 0.00 0.00 34.95 34.09 1a2i s ARG 44 CO -0.08 -0.27 0.92 0.15 0.02 0.00 0.00 175.30 176.04 1a2i s LYS 45 N -3.80 4.61 0.12 3.54 3.01 -1.26 -4.95 119.74 121.01 1a2i s LYS 45 Ca 0.22 1.35 -0.20 0.00 -1.01 0.00 0.00 55.97 56.33 1a2i s LYS 45 Cb 0.05 -3.40 -0.06 0.00 -1.01 0.00 0.00 37.83 33.41 1a2i s LYS 45 CO 0.11 0.14 1.74 0.00 0.51 0.00 0.00 175.35 177.85 1a2i n GLY 47 N -1.15 2.95 3.75 0.00 0.00 -1.26 -2.89 105.19 106.59 1a2i n GLY 47 Ca -0.04 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 1a2i n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a2i s THR 48 N 1.41 5.28 -0.34 2.61 2.01 -0.97 -4.92 115.64 120.72 1a2i s THR 48 Ca 0.60 0.59 -0.31 0.00 0.31 0.00 0.00 61.69 62.88 1a2i s THR 48 Cb 0.27 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 69.04 1a2i s THR 48 CO -0.01 0.42 2.25 0.00 -0.69 0.00 0.00 174.62 176.59 1a2i n ALA 49 N 3.29 1.28 0.00 7.40 0.00 -1.26 0.62 120.51 131.84 1a2i n ALA 49 Ca -0.12 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1a2i n ALA 49 Cb 0.52 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 17.22 1a2i n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a2i n GLY 50 N 6.21 1.73 0.00 0.00 0.00 -1.26 -5.00 105.19 106.87 1a2i n GLY 50 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1a2i n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a2i n HIS 52 N 0.00 2.88 -3.51 0.00 8.25 -1.14 -4.74 115.22 116.96 1a2i n HIS 52 Ca 0.00 -3.28 -0.27 0.00 -0.26 0.00 0.00 57.72 53.92 1a2i n HIS 52 Cb 0.00 -0.94 -0.10 0.00 1.12 0.00 0.00 29.99 30.08 1a2i n HIS 52 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1a2i n ASP 53 N 1.05 1.44 -0.08 0.41 2.03 -1.24 -4.36 116.55 115.79 1a2i n ASP 53 Ca 0.28 -2.87 -0.10 0.00 0.52 0.00 0.00 54.79 52.62 1a2i n ASP 53 Cb 0.36 -0.65 -0.10 0.00 -0.72 0.00 0.00 41.12 40.01 1a2i n ASP 53 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1a2i n SER 54 N 1.94 1.95 -2.97 1.67 2.88 -1.15 -4.85 113.62 113.09 1a2i n SER 54 Ca 0.25 -0.05 -0.22 0.00 -1.33 0.00 0.00 58.87 57.52 1a2i n SER 54 Cb 0.44 0.27 0.04 0.00 -0.75 0.00 0.00 64.21 64.21 1a2i n SER 54 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1a2i n MET 55 N -2.80 -5.10 -3.39 -1.46 2.81 -1.26 -4.96 117.12 100.95 1a2i n MET 55 Ca -0.29 0.87 -0.25 0.00 -1.81 0.00 0.00 57.70 56.22 1a2i n MET 55 Cb 0.92 -5.68 -0.10 0.00 -0.71 0.00 0.00 33.22 27.65 1a2i n MET 55 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1a2i s ASP 56 N -2.79 1.98 0.23 7.83 1.01 -1.26 -5.00 116.67 118.67 1a2i s ASP 56 Ca 0.33 -2.36 -0.15 0.00 0.71 0.00 0.00 52.55 51.07 1a2i s ASP 56 Cb -0.14 -0.16 0.28 0.00 1.01 0.00 0.00 42.92 43.90 1a2i s ASP 56 CO 0.40 -0.25 1.57 0.50 0.21 0.00 0.00 175.17 177.60 1a2i h LYS 57 N 6.49 -0.03 -2.60 8.23 3.11 -1.97 0.25 116.57 130.04 1a2i h LYS 57 Ca 0.13 0.00 -0.48 0.00 -2.81 0.00 0.00 60.65 57.49 1a2i h LYS 57 Cb 0.97 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.19 1a2i h LYS 57 CO 0.28 -0.02 2.18 0.36 -2.81 0.00 0.00 179.45 179.43 1a2i n LYS 58 N -5.51 3.05 0.05 1.90 0.00 -1.26 -3.82 118.16 112.58 1a2i n LYS 58 Ca 0.10 -1.76 0.00 0.00 -0.00 0.00 0.00 58.31 56.65 1a2i n LYS 58 Cb 0.41 -2.48 0.00 0.00 -0.00 0.00 0.00 35.03 32.96 1a2i n LYS 58 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1a2i n ASP 59 N 3.11 0.75 0.00 -5.58 -0.08 0.87 -5.11 116.55 110.51 1a2i n ASP 59 Ca 0.65 0.16 0.00 0.00 -1.51 0.00 0.00 54.79 54.08 1a2i n ASP 59 Cb 0.50 -0.18 0.00 0.00 2.34 0.00 0.00 41.12 43.78 1a2i n ASP 59 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1a2i n LYS 60 N -3.39 0.00 0.00 -0.67 4.01 -1.25 -4.84 118.16 112.02 1a2i n LYS 60 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1a2i n LYS 60 Cb 0.08 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.60 1a2i n LYS 60 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1a2i n SER 61 N 1.64 0.00 0.00 4.39 7.64 -1.26 -2.44 113.62 123.59 1a2i n SER 61 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a2i n SER 61 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1a2i n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a2i n ALA 62 N 0.06 0.00 0.32 -0.43 0.00 -1.26 -4.91 120.51 114.29 1a2i n ALA 62 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1a2i n ALA 62 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 1a2i n ALA 62 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1a2i n LYS 63 N -0.93 0.04 -2.31 0.00 2.85 -1.22 -4.46 118.16 112.12 1a2i n LYS 63 Ca 0.00 0.37 -0.38 0.00 -1.05 0.00 0.00 58.31 57.25 1a2i n LYS 63 Cb 0.00 -1.58 -0.03 0.00 -0.65 0.00 0.00 35.03 32.76 1a2i n LYS 63 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1a2i s GLY 64 N -3.12 0.61 0.22 2.58 0.00 -1.02 -2.91 107.32 103.69 1a2i s GLY 64 Ca 0.04 -1.30 -0.07 0.00 0.00 0.00 0.00 44.72 43.39 1a2i s GLY 64 CO 0.20 3.03 1.78 -1.82 0.00 0.00 0.00 173.10 176.29 1a2i h TYR 65 N 11.80 0.61 0.00 1.90 3.20 -1.78 0.43 116.97 133.13 1a2i h TYR 65 Ca -0.14 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1a2i h TYR 65 Cb 1.07 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.18 1a2i h TYR 65 CO 1.14 0.22 0.00 0.98 -1.64 0.00 0.00 178.16 178.86 1a2i n TYR 66 N -4.87 0.00 -0.02 -3.82 4.19 -1.26 -2.25 117.16 109.13 1a2i n TYR 66 Ca 0.10 0.00 0.07 0.00 3.31 0.00 0.00 57.90 61.39 1a2i n TYR 66 Cb 0.26 0.00 -0.16 0.00 0.49 0.00 0.00 39.34 39.94 1a2i n TYR 66 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 1a2i n HIS 67 N -0.99 0.07 0.12 2.98 -0.00 0.14 -3.75 115.22 113.80 1a2i n HIS 67 Ca 0.19 0.02 0.10 0.00 0.46 0.00 0.00 57.72 58.49 1a2i n HIS 67 Cb 0.09 -0.62 0.27 0.00 -0.12 0.00 0.00 29.99 29.60 1a2i n HIS 67 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 1a2i n VAL 68 N -2.38 0.75 0.07 3.57 0.24 -0.72 -2.21 118.33 117.64 1a2i n VAL 68 Ca -0.09 -0.80 0.01 0.00 -2.04 0.00 0.00 64.34 61.43 1a2i n VAL 68 Cb 0.68 0.51 -0.02 0.00 -1.47 0.00 0.00 33.84 33.54 1a2i n VAL 68 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1a2i n MET 69 N 1.31 3.38 0.08 7.34 2.81 -1.19 -3.72 117.12 127.12 1a2i n MET 69 Ca 0.20 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 1a2i n MET 69 Cb 0.53 -0.83 0.00 0.00 -0.71 0.00 0.00 33.22 32.21 1a2i n MET 69 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1a2i n HIS 70 N -1.31 -1.11 -1.32 2.03 8.25 -1.25 -2.77 115.22 117.74 1a2i n HIS 70 Ca 0.00 0.20 -0.51 0.00 -0.26 0.00 0.00 57.72 57.15 1a2i n HIS 70 Cb 0.06 0.36 -0.06 0.00 1.12 0.00 0.00 29.99 31.46 1a2i n HIS 70 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1a2i n ASP 71 N -3.16 -0.23 -0.10 0.41 -0.08 -0.94 -3.92 116.55 108.53 1a2i n ASP 71 Ca 0.00 1.03 -0.12 0.00 -1.51 0.00 0.00 54.79 54.19 1a2i n ASP 71 Cb 0.00 -0.83 -0.15 0.00 2.34 0.00 0.00 41.12 42.49 1a2i n ASP 71 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1a2i n LYS 72 N 1.25 0.68 -0.89 -0.67 5.02 -1.26 -4.54 118.16 117.74 1a2i n LYS 72 Ca 0.17 0.05 -0.33 0.00 -2.02 0.00 0.00 58.31 56.18 1a2i n LYS 72 Cb 0.10 -1.53 -0.04 0.00 -0.02 0.00 0.00 35.03 33.54 1a2i n LYS 72 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1a2i n ASN 73 N -2.90 3.10 -4.22 4.39 4.13 -1.26 -4.80 115.26 113.70 1a2i n ASN 73 Ca -0.36 -2.50 -0.18 0.00 1.68 0.00 0.00 54.58 53.22 1a2i n ASN 73 Cb 1.11 -1.03 -0.11 0.00 -1.54 0.00 0.00 39.78 38.21 1a2i n ASN 73 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1a2i s THR 74 N 4.57 1.25 0.42 3.41 -4.23 -1.26 -5.02 115.64 114.78 1a2i s THR 74 Ca 0.48 -1.60 0.26 0.00 -1.18 0.00 0.00 61.69 59.65 1a2i s THR 74 Cb 0.12 -1.40 0.28 0.00 1.34 0.00 0.00 72.50 72.84 1a2i s THR 74 CO 0.07 -0.37 2.06 0.50 -0.54 0.00 0.00 174.62 176.35 1a2i h LYS 75 N 3.74 0.00 -6.42 3.99 3.64 -1.95 -3.43 116.57 116.15 1a2i h LYS 75 Ca -0.40 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.36 1a2i h LYS 75 Cb 1.19 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.87 1a2i h LYS 75 CO 0.48 0.13 -0.74 -0.06 -2.27 0.00 0.00 179.45 176.99 1a2i s PHE 76 N -4.25 2.54 0.10 1.91 0.08 -1.26 -5.08 117.98 112.02 1a2i s PHE 76 Ca -0.03 -0.26 -0.31 0.00 0.12 0.00 0.00 56.93 56.45 1a2i s PHE 76 Cb 0.13 -1.21 -0.09 0.00 -0.57 0.00 0.00 43.02 41.28 1a2i s PHE 76 CO 0.60 0.55 1.66 0.15 -0.10 0.00 0.00 175.22 178.07 1a2i s LYS 77 N -2.98 4.19 0.30 0.44 1.02 -1.26 -4.99 119.74 116.45 1a2i s LYS 77 Ca 0.25 2.38 0.04 0.00 0.02 0.00 0.00 55.97 58.66 1a2i s LYS 77 Cb -0.08 -3.49 -0.02 0.00 -0.52 0.00 0.00 37.83 33.72 1a2i s LYS 77 CO 0.15 -0.72 0.44 -1.54 -0.92 0.00 0.00 175.35 172.76 1a2i s SER 78 N 2.14 6.19 0.04 2.83 1.04 -1.26 -4.85 113.70 119.83 1a2i s SER 78 Ca 0.74 0.08 -0.12 0.00 0.48 0.00 0.00 55.95 57.13 1a2i s SER 78 Cb -0.42 -1.70 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 1a2i s SER 78 CO 0.32 -0.25 1.19 0.00 0.98 0.00 0.00 173.24 175.49 1a2i h VAL 80 N -0.19 1.23 0.06 0.00 2.07 -1.72 0.16 116.25 117.86 1a2i h VAL 80 Ca 0.01 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.74 1a2i h VAL 80 Cb 0.23 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1a2i h VAL 80 CO -0.17 0.31 -0.50 1.23 0.02 0.00 0.00 177.57 178.46 1a2i h GLY 81 N 1.02 -1.05 0.91 2.17 0.00 -1.35 1.70 103.07 106.48 1a2i h GLY 81 Ca 0.20 0.61 -0.02 0.00 0.00 0.00 0.00 47.33 48.12 1a2i h GLY 81 CO -0.01 -0.25 0.11 0.00 0.00 0.00 0.00 176.54 176.39 1a2i h HIS 83 N 0.37 0.57 -0.91 0.00 3.86 -0.30 0.50 115.15 119.23 1a2i h HIS 83 Ca 0.10 0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.44 1a2i h HIS 83 Cb 0.22 -0.14 -0.07 0.00 1.06 0.00 0.00 27.41 28.49 1a2i h HIS 83 CO 0.00 0.13 0.59 0.28 0.86 0.00 0.00 177.93 179.79 1a2i h VAL 84 N 0.51 1.00 -0.03 2.45 2.07 0.30 1.54 116.25 124.09 1a2i h VAL 84 Ca 0.40 -0.33 -0.19 0.00 0.82 0.00 0.00 66.70 67.40 1a2i h VAL 84 Cb 0.54 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1a2i h VAL 84 CO -0.35 0.17 -0.81 -0.33 0.02 0.00 0.00 177.57 176.27 1a2i h GLU 85 N 0.95 0.29 0.09 1.57 4.39 -0.07 0.16 114.58 121.96 1a2i h GLU 85 Ca 0.42 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1a2i h GLU 85 Cb 0.35 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1a2i h GLU 85 CO -0.18 0.96 -0.04 0.28 -1.16 0.00 0.00 179.01 178.87 1a2i h VAL 86 N 0.18 1.15 -0.12 3.13 2.07 0.17 -3.20 116.25 119.63 1a2i h VAL 86 Ca -0.04 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 1a2i h VAL 86 Cb 1.41 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1a2i h VAL 86 CO 0.13 0.30 -0.17 0.00 0.02 0.00 0.00 177.57 177.86 1a2i h ALA 87 N -0.02 1.49 -0.28 1.67 0.00 0.20 -3.45 119.26 118.87 1a2i h ALA 87 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1a2i h ALA 87 Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1a2i h ALA 87 CO 0.02 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.04 1a2i n GLY 88 N -0.82 0.85 2.38 0.00 0.00 0.56 -1.17 105.19 106.99 1a2i n GLY 88 Ca -0.01 0.73 -0.24 0.00 0.00 0.00 0.00 46.02 46.51 1a2i n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a2i n ALA 89 N 7.62 3.13 -0.04 4.61 0.00 -1.26 -4.80 120.51 129.76 1a2i n ALA 89 Ca 0.00 -3.97 -0.05 0.00 0.00 0.00 0.00 53.44 49.42 1a2i n ALA 89 Cb 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 1a2i n ALA 89 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a2i n ASP 90 N 0.69 3.14 0.00 0.00 -0.08 -0.32 -5.04 116.55 114.94 1a2i n ASP 90 Ca 0.26 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 1a2i n ASP 90 Cb 0.51 0.45 0.00 0.00 2.34 0.00 0.00 41.12 44.42 1a2i n ASP 90 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1a2i n ALA 91 N -2.43 0.00 -0.34 -1.67 0.00 -1.26 -4.41 120.51 110.40 1a2i n ALA 91 Ca -0.14 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.58 1a2i n ALA 91 Cb 0.73 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.71 1a2i n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a2i h ALA 92 N 0.00 2.11 0.14 0.00 0.00 -1.96 1.57 119.26 121.12 1a2i h ALA 92 Ca 0.00 0.20 -0.30 0.00 0.00 0.00 0.00 54.91 54.82 1a2i h ALA 92 Cb 0.00 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1a2i h ALA 92 CO 0.00 -0.77 -1.39 0.87 0.00 0.00 0.00 179.25 177.96 1a2i h LYS 93 N 0.20 0.30 0.00 0.00 1.57 -1.91 -2.12 116.57 114.61 1a2i h LYS 93 Ca 0.78 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1a2i h LYS 93 Cb 1.94 0.19 0.00 0.00 0.08 0.00 0.00 32.23 34.44 1a2i h LYS 93 CO -0.63 1.22 0.00 1.17 -0.57 0.00 0.00 179.45 180.64 1a2i n LYS 94 N -3.53 0.01 -0.00 3.15 4.81 0.49 0.29 118.16 123.39 1a2i n LYS 94 Ca -0.13 0.37 0.03 0.00 -0.87 0.00 0.00 58.31 57.70 1a2i n LYS 94 Cb 1.04 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 34.56 1a2i n LYS 94 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1a2i n LYS 95 N -1.47 4.86 0.00 1.64 4.81 0.14 -2.50 118.16 125.64 1a2i n LYS 95 Ca 0.02 -0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.49 1a2i n LYS 95 Cb 0.07 -0.79 0.01 0.00 0.02 0.00 0.00 35.03 34.34 1a2i n LYS 95 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1a2i n ASP 96 N -1.16 1.11 0.00 3.14 9.92 0.40 -3.64 116.55 126.32 1a2i n ASP 96 Ca 0.01 -1.05 0.00 0.00 -0.53 0.00 0.00 54.79 53.22 1a2i n ASP 96 Cb 0.09 0.35 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 1a2i n ASP 96 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1a2i n LEU 97 N -0.16 0.90 -0.44 0.64 4.77 0.84 -2.81 117.00 120.75 1a2i n LEU 97 Ca 0.03 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.07 1a2i n LEU 97 Cb 0.14 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.38 1a2i n LEU 97 CO 0.07 0.12 0.61 0.35 -1.33 0.00 0.00 177.39 177.21 1a2i n THR 98 N -2.77 1.57 -1.64 -5.08 -2.24 -1.21 -4.79 114.28 98.12 1a2i n THR 98 Ca 0.00 -1.54 -0.35 0.00 -2.27 0.00 0.00 64.05 59.89 1a2i n THR 98 Cb 0.45 0.12 0.07 0.00 -2.10 0.00 0.00 70.33 68.87 1a2i n THR 98 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1a2i s GLY 99 N -1.69 2.51 -0.22 3.38 0.00 -1.04 -4.82 107.32 105.44 1a2i s GLY 99 Ca 0.25 0.95 -0.20 0.00 0.00 0.00 0.00 44.72 45.72 1a2i s GLY 99 CO 0.07 1.35 0.12 0.00 0.00 0.00 0.00 173.10 174.64 1a2i s LYS 101 N -2.38 1.16 -0.58 0.00 2.36 -1.26 -4.68 119.74 114.36 1a2i s LYS 101 Ca -0.30 -0.50 -0.02 0.00 -2.55 0.00 0.00 55.97 52.60 1a2i s LYS 101 Cb 0.07 -1.12 0.00 0.00 -1.05 0.00 0.00 37.83 35.73 1a2i s LYS 101 CO 0.56 0.30 0.50 1.17 1.55 0.00 0.00 175.35 179.43 1a2i n LYS 102 N 2.76 -3.31 -2.65 4.03 4.81 -1.18 -5.00 118.16 117.62 1a2i n LYS 102 Ca -0.14 0.38 -0.09 0.00 -0.87 0.00 0.00 58.31 57.59 1a2i n LYS 102 Cb 0.55 -4.04 -0.02 0.00 0.02 0.00 0.00 35.03 31.55 1a2i n LYS 102 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1a2i n SER 103 N -1.31 2.26 0.11 3.14 3.41 0.41 -4.79 113.62 116.85 1a2i n SER 103 Ca -0.07 -1.60 -0.04 0.00 -0.26 0.00 0.00 58.87 56.91 1a2i n SER 103 Cb 0.55 0.08 0.08 0.00 -0.26 0.00 0.00 64.21 64.67 1a2i n SER 103 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1a2i h LYS 104 N 0.00 0.06 0.00 4.33 1.79 -1.77 -3.35 116.57 117.64 1a2i h LYS 104 Ca -0.11 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1a2i h LYS 104 Cb 0.35 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1a2i h LYS 104 CO 0.19 0.76 -0.11 0.00 -1.08 0.00 0.00 179.45 179.21 1a2i s HIS 106 N -1.51 3.62 -1.30 0.00 3.76 -1.25 -4.45 115.29 114.16 1a2i s HIS 106 Ca -0.03 0.64 0.10 0.00 -0.15 0.00 0.00 55.06 55.62 1a2i s HIS 106 Cb 0.00 -2.03 0.08 0.00 1.11 0.00 0.00 32.58 31.75 1a2i s HIS 106 CO 0.05 0.69 0.83 -0.85 -0.85 0.00 0.00 174.74 174.61