#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 -5.06 135.00 128.64 1a2i n PRO 2 Ca 0.00 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1a2i n PRO 2 Cb 0.00 -0.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.91 0.00 -2.00 0.54 4.81 -1.26 -5.15 118.16 114.20 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 -1.00 3.29 0.70 3.14 0.00 -1.26 -4.99 121.76 121.63 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 0.01 0.00 0.00 0.00 0.00 23.12 19.62 1a2i s ALA 4 CO 0.00 -0.88 1.06 -1.25 0.00 0.00 0.00 175.76 174.69 1a2i s PRO 5 N -2.24 2.93 1.21 0.00 0.04 -1.26 -5.03 135.00 130.66 1a2i s PRO 5 Ca 0.57 0.96 -0.18 0.00 0.04 0.00 0.00 61.00 62.39 1a2i s PRO 5 Cb -0.39 -1.99 0.25 0.00 0.04 0.00 0.00 34.50 32.40 1a2i s PRO 5 CO 0.51 -1.10 0.54 0.00 0.04 0.00 0.00 177.00 176.98 1a2i n ALA 6 N -3.13 -3.11 -1.98 8.56 0.00 -1.26 -4.70 120.51 114.88 1a2i n ALA 6 Ca 0.08 -1.41 -0.24 0.00 0.00 0.00 0.00 53.44 51.86 1a2i n ALA 6 Cb 0.53 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.67 1a2i n ALA 6 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1a2i s ASP 7 N -2.36 5.10 0.00 0.00 -1.08 -1.26 -4.38 116.67 112.68 1a2i s ASP 7 Ca 0.54 0.30 0.00 0.00 -0.52 0.00 0.00 52.55 52.87 1a2i s ASP 7 Cb -0.12 -1.09 0.00 0.00 -1.46 0.00 0.00 42.92 40.25 1a2i s ASP 7 CO 0.51 -1.34 0.00 0.61 0.52 0.00 0.00 175.17 175.47 1a2i n GLY 8 N -2.64 0.59 3.57 2.66 0.00 -1.25 -4.99 105.19 103.12 1a2i n GLY 8 Ca 0.07 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 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 3.35 0.21 0.99 1.98 -1.23 -4.87 118.68 119.11 1a2i s LEU 9 Ca 0.00 0.25 0.08 0.00 -2.89 0.00 0.00 54.13 51.57 1a2i s LEU 9 Cb 0.00 -2.89 -0.04 0.00 0.66 0.00 0.00 46.19 43.92 1a2i s LEU 9 CO 0.00 -1.89 0.02 -1.59 -1.89 0.00 0.00 176.35 171.00 1a2i s LYS 10 N 5.91 2.43 -0.19 1.98 -2.85 -1.26 0.30 119.74 126.07 1a2i s LYS 10 Ca 0.55 -1.19 -0.01 0.00 -1.00 0.00 0.00 55.97 54.33 1a2i s LYS 10 Cb -0.12 -2.33 0.05 0.00 -2.06 0.00 0.00 37.83 33.38 1a2i s LYS 10 CO 0.23 0.42 -0.03 0.00 0.10 0.00 0.00 175.35 176.08 1a2i s MET 11 N -3.24 1.25 -0.90 1.78 0.23 0.45 -4.96 119.30 113.91 1a2i s MET 11 Ca 0.29 -0.63 0.00 0.00 -1.03 0.00 0.00 55.69 54.32 1a2i s MET 11 Cb -0.08 -2.20 0.30 0.00 -1.53 0.00 0.00 34.83 31.31 1a2i s MET 11 CO 0.20 -0.54 1.31 -1.91 -2.03 0.00 0.00 175.02 172.05 1a2i n GLU 12 N 4.86 4.06 0.01 3.16 0.00 -1.26 -2.79 120.64 128.69 1a2i n GLU 12 Ca -0.11 -4.65 0.11 0.00 0.00 0.00 0.00 57.16 52.51 1a2i n GLU 12 Cb 0.46 -2.41 -0.04 0.00 0.00 0.00 0.00 31.44 29.45 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 0.72 3.81 -2.54 4.31 0.00 -1.26 -4.96 120.51 120.59 1a2i n ALA 13 Ca 0.32 -0.49 -0.26 0.00 0.00 0.00 0.00 53.44 53.01 1a2i n ALA 13 Cb 0.34 -0.87 -0.08 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.16 0.78 -0.80 0.00 -4.23 -1.26 -5.00 115.64 101.97 1a2i s THR 14 Ca 0.04 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.67 1a2i s THR 14 Cb 0.15 -2.41 0.11 0.00 1.34 0.00 0.00 72.50 71.70 1a2i s THR 14 CO 0.84 0.00 1.37 1.17 -0.54 0.00 0.00 174.62 177.45 1a2i n LYS 15 N -0.92 0.05 -3.92 3.99 4.81 -1.26 -4.03 118.16 116.88 1a2i n LYS 15 Ca -0.07 0.42 -0.31 0.00 -0.87 0.00 0.00 58.31 57.49 1a2i n LYS 15 Cb 0.65 -1.63 -0.15 0.00 0.02 0.00 0.00 35.03 33.93 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 -3.13 1.22 0.77 1.64 -1.52 -1.26 -5.11 119.66 112.25 1a2i s GLN 16 Ca 0.03 -1.61 -0.11 0.00 -1.95 0.00 0.00 55.36 51.72 1a2i s GLN 16 Cb 0.06 -2.78 0.05 0.00 -0.22 0.00 0.00 33.01 30.12 1a2i s GLN 16 CO 0.18 -0.96 1.09 -1.25 -0.25 0.00 0.00 175.29 174.10 1a2i s PRO 17 N 1.13 2.34 0.02 2.91 0.04 -1.26 -4.84 135.00 135.35 1a2i s PRO 17 Ca 0.11 0.73 -0.08 0.00 0.04 0.00 0.00 61.00 61.80 1a2i s PRO 17 Cb -0.19 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.41 1a2i s PRO 17 CO -0.14 -1.46 0.15 0.08 0.04 0.00 0.00 177.00 175.67 1a2i s VAL 18 N -3.12 0.10 -0.23 -0.36 1.01 -1.12 -4.80 120.40 111.88 1a2i s VAL 18 Ca 0.60 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1a2i s VAL 18 Cb -0.14 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.56 1a2i s VAL 18 CO 0.54 -0.47 -0.13 -0.69 0.00 0.00 0.00 175.10 174.35 1a2i s VAL 19 N -2.07 2.30 0.61 2.92 1.01 -1.26 -0.41 120.40 123.50 1a2i s VAL 19 Ca -0.09 -1.22 0.04 0.00 0.00 0.00 0.00 61.98 60.71 1a2i s VAL 19 Cb -0.04 -2.17 0.09 0.00 0.00 0.00 0.00 36.38 34.26 1a2i s VAL 19 CO -0.02 0.24 0.84 0.12 0.00 0.00 0.00 175.10 176.28 1a2i s PHE 20 N 1.23 1.84 -0.16 5.22 5.36 0.15 -4.90 117.98 126.71 1a2i s PHE 20 Ca -0.01 -0.42 -0.16 0.00 -0.96 0.00 0.00 56.93 55.37 1a2i s PHE 20 Cb -0.17 -2.60 0.04 0.00 -0.34 0.00 0.00 43.02 39.96 1a2i s PHE 20 CO -0.08 -1.24 0.46 -0.80 -1.46 0.00 0.00 175.22 172.10 1a2i s ASN 21 N -4.62 -0.46 -0.03 6.13 -0.87 -1.26 -3.48 114.94 110.34 1a2i s ASN 21 Ca 0.62 0.86 0.20 0.00 -1.57 0.00 0.00 52.86 52.98 1a2i s ASN 21 Cb -0.07 0.88 -0.31 0.00 -0.02 0.00 0.00 41.25 41.73 1a2i s ASN 21 CO 0.40 -0.19 0.45 1.41 -2.57 0.00 0.00 177.10 176.60 1a2i n HIS 22 N 2.67 0.00 1.56 2.20 8.25 -1.26 -3.89 115.22 124.75 1a2i n HIS 22 Ca -0.14 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.47 1a2i n HIS 22 Cb 0.57 -0.46 0.78 0.00 1.12 0.00 0.00 29.99 32.00 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 -2.20 0.08 -0.09 0.41 2.88 -1.26 -3.08 113.62 110.36 1a2i n SER 23 Ca -0.04 -0.42 -0.10 0.00 -1.33 0.00 0.00 58.87 56.98 1a2i n SER 23 Cb 0.53 -0.19 -0.12 0.00 -0.75 0.00 0.00 64.21 63.68 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 -1.16 1.16 -1.22 2.46 -1.04 -1.26 -4.41 114.28 108.82 1a2i n THR 24 Ca 0.17 -0.62 -0.28 0.00 -2.04 0.00 0.00 64.05 61.28 1a2i n THR 24 Cb 0.22 -0.80 0.13 0.00 -1.82 0.00 0.00 70.33 68.06 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 -2.79 3.04 -0.16 -1.42 8.25 -1.20 -4.46 115.22 116.47 1a2i n HIS 25 Ca -0.31 -2.32 -0.09 0.00 -0.26 0.00 0.00 57.72 54.74 1a2i n HIS 25 Cb 0.99 -1.15 0.05 0.00 1.12 0.00 0.00 29.99 31.00 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 1.41 0.95 0.00 -0.41 1.57 -1.75 -1.72 116.57 116.63 1a2i h LYS 26 Ca 0.60 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1a2i h LYS 26 Cb 1.92 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.16 1a2i h LYS 26 CO 1.28 1.02 0.00 -1.13 -0.57 0.00 0.00 179.45 180.05 1a2i n SER 27 N -4.14 0.31 -4.80 0.86 3.41 -1.26 -4.70 113.62 103.30 1a2i n SER 27 Ca 0.01 0.56 -0.39 0.00 -0.26 0.00 0.00 58.87 58.80 1a2i n SER 27 Cb 0.40 -0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 63.66 1a2i n SER 27 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1a2i s VAL 28 N -3.11 4.76 0.29 -3.33 1.01 -0.65 -5.04 120.40 114.34 1a2i s VAL 28 Ca 0.08 1.23 -0.29 0.00 0.00 0.00 0.00 61.98 62.99 1a2i s VAL 28 Cb 0.11 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 1a2i s VAL 28 CO 0.39 0.53 1.27 -0.54 0.00 0.00 0.00 175.10 176.75 1a2i s LYS 29 N -0.95 4.42 0.51 2.72 1.02 -1.26 -4.89 119.74 121.31 1a2i s LYS 29 Ca 0.29 2.10 0.17 0.00 0.02 0.00 0.00 55.97 58.55 1a2i s LYS 29 Cb -0.19 -3.12 1.27 0.00 -0.52 0.00 0.00 37.83 35.27 1a2i s LYS 29 CO 0.19 -0.12 2.12 0.00 -0.92 0.00 0.00 175.35 176.62 1a2i n GLY 31 N -1.37 -0.81 0.12 0.00 0.00 -1.26 -1.04 105.19 100.84 1a2i n GLY 31 Ca -0.03 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.75 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 0.50 0.00 0.00 1.61 1.82 -0.62 -3.36 116.42 116.37 1a2i h ASP 32 Ca 0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.56 1a2i h ASP 32 Cb 0.13 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.13 1a2i h ASP 32 CO 0.00 0.58 -0.95 0.00 -1.61 0.00 0.00 179.24 177.27 1a2i n HIS 34 N -3.64 1.96 -1.40 0.00 8.25 -0.20 -4.93 115.22 115.26 1a2i n HIS 34 Ca -0.12 -2.46 -0.40 0.00 -0.26 0.00 0.00 57.72 54.47 1a2i n HIS 34 Cb 0.41 -2.06 0.02 0.00 1.12 0.00 0.00 29.99 29.48 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 4.33 -1.22 -2.40 4.41 1.44 -1.26 -4.48 115.22 116.04 1a2i n HIS 35 Ca 0.59 0.52 -0.43 0.00 -2.01 0.00 0.00 57.72 56.39 1a2i n HIS 35 Cb 0.21 -1.89 -0.02 0.00 0.12 0.00 0.00 29.99 28.40 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 -1.56 4.15 0.00 -1.40 0.04 -1.26 -4.65 135.00 130.32 1a2i s PRO 36 Ca 0.63 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1a2i s PRO 36 Cb -0.53 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1a2i s PRO 36 CO 0.59 -0.82 0.00 0.28 0.04 0.00 0.00 177.00 177.09 1a2i n VAL 37 N 5.59 0.00 -0.87 -0.36 0.31 -1.23 -4.30 118.33 117.47 1a2i n VAL 37 Ca 0.14 0.36 -0.18 0.00 -0.01 0.00 0.00 64.34 64.65 1a2i n VAL 37 Cb 0.45 -1.14 0.05 0.00 -0.91 0.00 0.00 33.84 32.29 1a2i n VAL 37 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1a2i n ASN 38 N -1.73 6.29 0.00 4.52 2.85 -1.26 -4.72 115.26 121.22 1a2i n ASN 38 Ca 0.00 -3.13 0.00 0.00 -0.11 0.00 0.00 54.58 51.34 1a2i n ASN 38 Cb 0.00 -1.01 0.00 0.00 1.24 0.00 0.00 39.78 40.01 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 0.12 0.69 3.20 8.20 0.00 -1.26 -4.97 105.19 111.17 1a2i n GLY 39 Ca 0.34 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.30 3.07 -1.09 1.61 -2.85 -1.26 -4.99 119.74 113.92 1a2i s LYS 40 Ca 0.00 -0.84 -0.22 0.00 -1.00 0.00 0.00 55.97 53.91 1a2i s LYS 40 Cb 0.00 -2.44 0.01 0.00 -2.06 0.00 0.00 37.83 33.34 1a2i s LYS 40 CO 0.00 0.04 1.72 -2.00 0.10 0.00 0.00 175.35 175.21 1a2i s GLU 41 N 0.69 3.28 0.66 1.78 2.12 -1.26 -3.52 118.70 122.45 1a2i s GLU 41 Ca -0.10 -1.18 -0.11 0.00 0.36 0.00 0.00 54.97 53.95 1a2i s GLU 41 Cb -0.16 -5.32 -0.01 0.00 0.26 0.00 0.00 34.13 28.89 1a2i s GLU 41 CO 0.01 -2.78 1.06 0.34 -0.54 0.00 0.00 175.26 173.36 1a2i s ASP 42 N 5.70 5.83 -0.65 -1.70 2.15 -1.26 -4.92 116.67 121.82 1a2i s ASP 42 Ca 0.57 1.27 0.03 0.00 0.43 0.00 0.00 52.55 54.85 1a2i s ASP 42 Cb -0.01 -2.19 0.16 0.00 -0.30 0.00 0.00 42.92 40.58 1a2i s ASP 42 CO 0.01 -1.11 0.43 -0.31 -0.17 0.00 0.00 175.17 174.02 1a2i s TYR 43 N -3.27 3.44 0.36 -5.34 2.02 -1.26 -4.82 117.35 108.48 1a2i s TYR 43 Ca 0.57 -3.18 0.04 0.00 -0.37 0.00 0.00 57.07 54.12 1a2i s TYR 43 Cb -0.11 -2.86 -0.03 0.00 -0.40 0.00 0.00 41.96 38.56 1a2i s TYR 43 CO 0.53 -0.67 0.14 1.03 -1.57 0.00 0.00 175.55 175.01 1a2i s ARG 44 N -0.86 1.79 0.28 -0.62 0.52 -1.26 -5.13 118.95 113.66 1a2i s ARG 44 Ca 0.21 -2.06 -0.29 0.00 -0.52 0.00 0.00 55.73 53.08 1a2i s ARG 44 Cb -0.15 -0.42 -0.09 0.00 0.52 0.00 0.00 34.95 34.81 1a2i s ARG 44 CO -0.08 -0.45 0.99 0.15 0.02 0.00 0.00 175.30 175.92 1a2i s LYS 45 N -3.74 4.71 0.03 3.54 3.01 -1.26 -4.97 119.74 121.06 1a2i s LYS 45 Ca 0.30 1.54 -0.27 0.00 -1.01 0.00 0.00 55.97 56.53 1a2i s LYS 45 Cb 0.04 -3.12 -0.17 0.00 -1.01 0.00 0.00 37.83 33.57 1a2i s LYS 45 CO 0.16 0.35 1.38 0.00 0.51 0.00 0.00 175.35 177.76 1a2i n GLY 47 N -0.68 2.69 3.78 0.00 0.00 -1.26 -2.94 105.19 106.79 1a2i n GLY 47 Ca -0.10 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 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 2.42 4.96 -0.00 2.61 2.01 -1.19 -4.94 115.64 121.52 1a2i s THR 48 Ca 0.42 0.00 -0.34 0.00 0.31 0.00 0.00 61.69 62.08 1a2i s THR 48 Cb 0.16 -3.13 -0.13 0.00 0.01 0.00 0.00 72.50 69.41 1a2i s THR 48 CO -0.02 0.61 1.75 0.00 -0.69 0.00 0.00 174.62 176.27 1a2i n ALA 49 N 2.11 0.95 0.00 7.40 0.00 -1.26 -0.20 120.51 129.51 1a2i n ALA 49 Ca -0.19 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1a2i n ALA 49 Cb 0.54 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 3.99 2.80 0.00 0.00 0.00 -1.26 -4.96 105.19 105.75 1a2i n GLY 50 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 2.87 -0.84 0.00 8.25 -1.15 -4.59 115.22 119.76 1a2i n HIS 52 Ca 0.00 -2.78 0.08 0.00 -0.26 0.00 0.00 57.72 54.76 1a2i n HIS 52 Cb 0.00 -1.70 0.26 0.00 1.12 0.00 0.00 29.99 29.67 1a2i n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1a2i n ASP 53 N 2.99 3.97 -4.55 0.41 5.75 -1.25 -4.38 116.55 119.48 1a2i n ASP 53 Ca 0.34 -2.82 -0.42 0.00 -0.01 0.00 0.00 54.79 51.88 1a2i n ASP 53 Cb 0.36 -0.51 -0.03 0.00 -1.03 0.00 0.00 41.12 39.90 1a2i n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1a2i s SER 54 N -1.62 6.32 -0.27 -1.12 0.15 -1.07 -4.87 113.70 111.22 1a2i s SER 54 Ca 0.41 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.84 1a2i s SER 54 Cb 0.31 -2.53 0.25 0.00 -1.71 0.00 0.00 66.02 62.35 1a2i s SER 54 CO 0.11 -1.56 1.75 0.23 1.20 0.00 0.00 173.24 174.98 1a2i n MET 55 N 8.56 1.69 -2.72 5.44 2.81 -1.26 -3.23 117.12 128.41 1a2i n MET 55 Ca 0.05 -1.47 -0.37 0.00 -1.81 0.00 0.00 57.70 54.10 1a2i n MET 55 Cb 0.49 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 1a2i n MET 55 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1a2i n ASP 56 N 0.09 6.48 -0.43 7.83 8.00 -1.26 -4.81 116.55 132.45 1a2i n ASP 56 Ca 0.29 -3.69 0.36 0.00 0.71 0.00 0.00 54.79 52.46 1a2i n ASP 56 Cb 0.79 -0.98 0.64 0.00 -0.02 0.00 0.00 41.12 41.55 1a2i n ASP 56 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1a2i h LYS 57 N 3.81 0.06 -2.94 -1.24 3.64 -1.98 0.49 116.57 118.42 1a2i h LYS 57 Ca 0.41 -0.00 -0.78 0.00 -1.27 0.00 0.00 60.65 59.01 1a2i h LYS 57 Cb 0.37 -0.01 -0.21 0.00 -0.41 0.00 0.00 32.23 31.97 1a2i h LYS 57 CO 1.07 0.04 1.51 1.17 -2.27 0.00 0.00 179.45 180.97 1a2i n LYS 58 N -4.82 4.39 0.00 1.90 3.00 -1.26 -4.05 118.16 117.32 1a2i n LYS 58 Ca 0.38 -4.06 0.00 0.00 -0.00 0.00 0.00 58.31 54.63 1a2i n LYS 58 Cb 1.42 -2.66 0.00 0.00 0.00 0.00 0.00 35.03 33.79 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 1.96 0.00 -2.29 3.14 2.03 0.16 -5.13 116.55 116.43 1a2i n ASP 59 Ca 0.40 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.67 1a2i n ASP 59 Cb 0.31 0.27 -0.03 0.00 -0.72 0.00 0.00 41.12 40.95 1a2i n ASP 59 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1a2i n LYS 60 N -2.16 -3.43 -3.76 -0.67 4.01 -1.25 -5.09 118.16 105.81 1a2i n LYS 60 Ca 0.00 2.71 -0.05 0.00 -0.51 0.00 0.00 58.31 60.46 1a2i n LYS 60 Cb 0.00 -3.99 -0.02 0.00 -0.51 0.00 0.00 35.03 30.52 1a2i n LYS 60 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1a2i s SER 61 N -0.49 -0.22 0.16 4.39 0.15 -1.26 -4.95 113.70 111.48 1a2i s SER 61 Ca -0.21 -0.42 -0.20 0.00 0.70 0.00 0.00 55.95 55.82 1a2i s SER 61 Cb 0.01 0.55 0.07 0.00 -1.71 0.00 0.00 66.02 64.94 1a2i s SER 61 CO 0.56 -1.00 1.64 0.00 1.20 0.00 0.00 173.24 175.63 1a2i h ALA 62 N 2.00 0.04 0.00 5.45 0.00 -1.98 0.65 119.26 125.41 1a2i h ALA 62 Ca -0.23 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1a2i h ALA 62 Cb 1.24 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 1a2i h ALA 62 CO 0.25 -0.59 -0.09 0.87 0.00 0.00 0.00 179.25 179.70 1a2i h LYS 63 N -0.15 0.00 -5.27 0.00 1.57 -1.96 -3.40 116.57 107.35 1a2i h LYS 63 Ca 0.17 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1a2i h LYS 63 Cb 0.42 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1a2i h LYS 63 CO -0.43 0.09 0.28 0.41 -0.57 0.00 0.00 179.45 179.23 1a2i n GLY 64 N -0.73 -0.22 0.30 3.86 0.00 0.23 -2.58 105.19 106.05 1a2i n GLY 64 Ca -0.02 0.26 0.10 0.00 0.00 0.00 0.00 46.02 46.36 1a2i n GLY 64 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1a2i h TYR 65 N 12.37 0.59 0.00 1.61 3.20 -1.77 1.45 116.97 134.42 1a2i h TYR 65 Ca 0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1a2i h TYR 65 Cb 1.02 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.16 1a2i h TYR 65 CO 1.19 -0.00 0.00 0.98 -1.64 0.00 0.00 178.16 178.68 1a2i n TYR 66 N -5.03 0.00 0.69 -3.82 4.19 -1.26 -2.29 117.16 109.64 1a2i n TYR 66 Ca 0.19 0.00 0.08 0.00 3.31 0.00 0.00 57.90 61.48 1a2i n TYR 66 Cb 0.56 0.00 -0.10 0.00 0.49 0.00 0.00 39.34 40.29 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 -0.97 0.00 -0.07 2.98 -0.00 0.49 -3.94 115.22 113.70 1a2i n HIS 67 Ca 0.20 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.45 1a2i n HIS 67 Cb 0.09 -0.06 0.18 0.00 -0.12 0.00 0.00 29.99 30.08 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 -1.51 0.81 0.06 3.57 0.24 -0.59 -3.11 118.33 117.79 1a2i n VAL 68 Ca 0.02 -0.90 0.01 0.00 -2.04 0.00 0.00 64.34 61.43 1a2i n VAL 68 Cb 0.30 0.66 -0.01 0.00 -1.47 0.00 0.00 33.84 33.31 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 0.85 6.23 0.10 7.34 2.81 -1.18 -3.77 117.12 129.49 1a2i n MET 69 Ca 0.14 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 1a2i n MET 69 Cb 0.46 -0.59 0.00 0.00 -0.71 0.00 0.00 33.22 32.38 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 -1.06 -1.64 -1.34 2.03 -0.00 -1.25 -2.95 115.22 109.01 1a2i n HIS 70 Ca 0.00 0.29 -0.48 0.00 -0.00 0.00 0.00 57.72 57.54 1a2i n HIS 70 Cb 0.02 0.43 -0.04 0.00 -0.00 0.00 0.00 29.99 30.41 1a2i n HIS 70 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1a2i n ASP 71 N -3.33 -0.94 -0.09 0.41 -0.08 -1.18 -3.92 116.55 107.43 1a2i n ASP 71 Ca 0.00 1.07 -0.10 0.00 -1.51 0.00 0.00 54.79 54.25 1a2i n ASP 71 Cb 0.00 -0.89 -0.11 0.00 2.34 0.00 0.00 41.12 42.46 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 1.04 1.03 -0.80 -0.67 5.02 -1.26 -4.44 118.16 118.09 1a2i n LYS 72 Ca 0.17 0.05 -0.28 0.00 -2.02 0.00 0.00 58.31 56.23 1a2i n LYS 72 Cb 0.20 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 1a2i n LYS 72 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1a2i n ASN 73 N -2.80 3.50 -4.28 4.39 5.15 -1.26 -4.79 115.26 115.17 1a2i n ASN 73 Ca -0.30 -2.42 -0.21 0.00 -0.60 0.00 0.00 54.58 51.06 1a2i n ASN 73 Cb 0.95 -1.02 -0.12 0.00 -0.53 0.00 0.00 39.78 39.06 1a2i n ASN 73 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1a2i s THR 74 N 4.23 1.57 0.42 -0.44 -4.23 -1.26 -5.01 115.64 110.91 1a2i s THR 74 Ca 0.43 -1.71 0.27 0.00 -1.18 0.00 0.00 61.69 59.50 1a2i s THR 74 Cb 0.11 -1.60 0.30 0.00 1.34 0.00 0.00 72.50 72.64 1a2i s THR 74 CO 0.04 -0.28 2.08 0.50 -0.54 0.00 0.00 174.62 176.41 1a2i h LYS 75 N 3.62 0.00 -6.33 3.99 3.64 -1.99 -3.43 116.57 116.06 1a2i h LYS 75 Ca -0.42 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.35 1a2i h LYS 75 Cb 1.20 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.88 1a2i h LYS 75 CO 0.47 0.11 -0.73 -0.06 -2.27 0.00 0.00 179.45 176.98 1a2i s PHE 76 N -4.20 2.50 0.07 1.91 0.08 -1.26 -5.09 117.98 112.00 1a2i s PHE 76 Ca -0.03 -0.27 -0.31 0.00 0.12 0.00 0.00 56.93 56.44 1a2i s PHE 76 Cb 0.13 -1.15 -0.08 0.00 -0.57 0.00 0.00 43.02 41.35 1a2i s PHE 76 CO 0.58 0.60 1.62 0.15 -0.10 0.00 0.00 175.22 178.07 1a2i s LYS 77 N -3.25 4.21 0.18 0.44 1.02 -1.26 -4.99 119.74 116.09 1a2i s LYS 77 Ca 0.28 2.30 0.02 0.00 0.02 0.00 0.00 55.97 58.58 1a2i s LYS 77 Cb -0.07 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 1a2i s LYS 77 CO 0.16 -0.70 0.33 -1.54 -0.92 0.00 0.00 175.35 172.67 1a2i s SER 78 N 2.20 6.35 0.05 2.83 1.04 -1.26 -4.84 113.70 120.05 1a2i s SER 78 Ca 0.72 0.22 -0.10 0.00 0.48 0.00 0.00 55.95 57.27 1a2i s SER 78 Cb -0.39 -1.93 -0.03 0.00 0.10 0.00 0.00 66.02 63.77 1a2i s SER 78 CO 0.32 0.00 1.17 0.00 0.98 0.00 0.00 173.24 175.71 1a2i h VAL 80 N -0.08 1.20 0.28 0.00 2.07 -1.74 0.61 116.25 118.60 1a2i h VAL 80 Ca 0.03 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1a2i h VAL 80 Cb 0.17 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1a2i h VAL 80 CO -0.24 0.26 -0.51 1.23 0.02 0.00 0.00 177.57 178.34 1a2i h GLY 81 N 0.88 -1.21 0.93 2.17 0.00 -0.77 1.57 103.07 106.65 1a2i h GLY 81 Ca 0.16 0.62 -0.03 0.00 0.00 0.00 0.00 47.33 48.08 1a2i h GLY 81 CO -0.00 -0.32 0.12 0.00 0.00 0.00 0.00 176.54 176.34 1a2i h HIS 83 N 0.46 0.54 -0.90 0.00 3.86 -0.44 0.51 115.15 119.18 1a2i h HIS 83 Ca 0.12 0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.46 1a2i h HIS 83 Cb 0.24 -0.13 -0.06 0.00 1.06 0.00 0.00 27.41 28.52 1a2i h HIS 83 CO 0.01 0.13 0.58 0.28 0.86 0.00 0.00 177.93 179.79 1a2i h VAL 84 N 0.49 0.99 -0.03 2.45 2.07 0.27 1.56 116.25 124.05 1a2i h VAL 84 Ca 0.38 -0.32 -0.20 0.00 0.82 0.00 0.00 66.70 67.38 1a2i h VAL 84 Cb 0.50 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1a2i h VAL 84 CO -0.34 0.17 -0.83 -0.33 0.02 0.00 0.00 177.57 176.26 1a2i h GLU 85 N 0.92 0.32 0.12 1.57 4.39 -0.12 0.28 114.58 122.06 1a2i h GLU 85 Ca 0.41 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1a2i h GLU 85 Cb 0.37 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1a2i h GLU 85 CO -0.17 0.98 -0.06 0.28 -1.16 0.00 0.00 179.01 178.88 1a2i h VAL 86 N 0.20 0.99 -0.29 3.13 2.07 0.18 -3.23 116.25 119.29 1a2i h VAL 86 Ca -0.05 -1.23 -0.06 0.00 0.82 0.00 0.00 66.70 66.19 1a2i h VAL 86 Cb 1.43 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 1a2i h VAL 86 CO 0.14 0.26 -0.08 0.00 0.02 0.00 0.00 177.57 177.90 1a2i h ALA 87 N -0.17 1.32 -0.54 1.67 0.00 0.21 -3.46 119.26 118.29 1a2i h ALA 87 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1a2i h ALA 87 Cb 0.55 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1a2i h ALA 87 CO 0.03 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.15 1a2i n GLY 88 N -0.75 1.60 2.57 0.00 0.00 0.97 -1.68 105.19 107.91 1a2i n GLY 88 Ca 0.01 0.49 -0.24 0.00 0.00 0.00 0.00 46.02 46.28 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 9.15 3.55 -0.02 4.61 0.00 -1.26 -4.76 120.51 131.78 1a2i n ALA 89 Ca 0.00 -4.18 0.03 0.00 0.00 0.00 0.00 53.44 49.29 1a2i n ALA 89 Cb 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 19.45 18.54 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 0.20 2.30 0.00 0.00 2.03 -0.67 -5.03 116.55 115.38 1a2i n ASP 90 Ca 0.28 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.59 1a2i n ASP 90 Cb 0.49 1.34 0.00 0.00 -0.72 0.00 0.00 41.12 42.24 1a2i n ASP 90 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a2i n ALA 91 N -2.04 0.00 -0.36 -1.67 0.00 -1.26 -4.41 120.51 110.76 1a2i n ALA 91 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 1a2i n ALA 91 Cb 0.45 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.94 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 0.19 -0.25 0.00 0.00 -1.95 1.56 119.26 118.81 1a2i h ALA 92 Ca 0.00 0.28 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 1a2i h ALA 92 Cb 0.00 0.97 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1a2i h ALA 92 CO 0.00 -0.60 -0.35 0.87 0.00 0.00 0.00 179.25 179.16 1a2i h LYS 93 N -0.02 0.54 0.00 0.00 1.79 -1.90 0.29 116.57 117.28 1a2i h LYS 93 Ca 0.35 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1a2i h LYS 93 Cb 0.60 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1a2i h LYS 93 CO -0.96 0.82 0.00 1.17 -1.08 0.00 0.00 179.45 179.40 1a2i n LYS 94 N -4.06 0.03 0.00 3.15 4.81 0.48 0.29 118.16 122.85 1a2i n LYS 94 Ca -0.01 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 1a2i n LYS 94 Cb 0.48 -1.57 -0.00 0.00 0.02 0.00 0.00 35.03 33.96 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 -1.62 4.92 0.00 1.64 4.81 0.19 -2.88 118.16 125.22 1a2i n LYS 95 Ca 0.01 -0.13 0.04 0.00 -0.87 0.00 0.00 58.31 57.36 1a2i n LYS 95 Cb 0.08 -0.66 -0.03 0.00 0.02 0.00 0.00 35.03 34.44 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 -0.77 0.58 0.00 3.14 8.00 0.92 -3.56 116.55 124.86 1a2i n ASP 96 Ca 0.00 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.71 1a2i n ASP 96 Cb 0.02 0.84 0.00 0.00 -0.02 0.00 0.00 41.12 41.96 1a2i n ASP 96 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1a2i n LEU 97 N -0.92 2.07 -0.25 0.64 4.77 0.82 -3.06 117.00 121.07 1a2i n LEU 97 Ca 0.02 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.09 1a2i n LEU 97 Cb 0.14 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.39 1a2i n LEU 97 CO 0.14 0.34 0.60 0.35 -1.33 0.00 0.00 177.39 177.49 1a2i n THR 98 N -2.64 1.93 -1.31 -5.08 -2.24 -1.18 -4.77 114.28 98.99 1a2i n THR 98 Ca 0.00 -2.12 -0.33 0.00 -2.27 0.00 0.00 64.05 59.33 1a2i n THR 98 Cb 0.49 -0.20 0.10 0.00 -2.10 0.00 0.00 70.33 68.62 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 -2.57 2.09 -0.24 3.38 0.00 -1.14 -4.77 107.32 104.06 1a2i s GLY 99 Ca 0.33 0.69 -0.08 0.00 0.00 0.00 0.00 44.72 45.66 1a2i s GLY 99 CO 0.04 1.08 -0.14 0.00 0.00 0.00 0.00 173.10 174.09 1a2i s LYS 101 N -2.50 0.66 -0.82 0.00 2.20 -1.26 -4.77 119.74 113.25 1a2i s LYS 101 Ca -0.34 -0.34 -0.02 0.00 -0.36 0.00 0.00 55.97 54.91 1a2i s LYS 101 Cb 0.10 -0.63 0.00 0.00 -1.51 0.00 0.00 37.83 35.79 1a2i s LYS 101 CO 0.58 0.17 0.70 1.63 -0.36 0.00 0.00 175.35 178.07 1a2i n LYS 102 N 2.74 -4.66 -2.80 4.03 5.02 -1.23 -5.02 118.16 116.24 1a2i n LYS 102 Ca -0.14 0.55 -0.11 0.00 -2.02 0.00 0.00 58.31 56.59 1a2i n LYS 102 Cb 0.57 -4.72 -0.02 0.00 -0.02 0.00 0.00 35.03 30.84 1a2i n LYS 102 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1a2i n SER 103 N -2.09 2.28 0.11 4.39 3.41 0.19 -4.84 113.62 117.08 1a2i n SER 103 Ca -0.12 -1.77 -0.03 0.00 -0.26 0.00 0.00 58.87 56.69 1a2i n SER 103 Cb 0.59 0.09 0.08 0.00 -0.26 0.00 0.00 64.21 64.71 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 0.01 0.00 4.33 1.79 -1.79 -3.35 116.57 117.56 1a2i h LYS 104 Ca -0.14 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1a2i h LYS 104 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1a2i h LYS 104 CO 0.24 0.74 -0.08 0.00 -1.08 0.00 0.00 179.45 179.27 1a2i s HIS 106 N -1.43 3.57 0.00 0.00 3.76 -1.25 -4.42 115.29 115.51 1a2i s HIS 106 Ca -0.02 0.64 0.00 0.00 -0.15 0.00 0.00 55.06 55.53 1a2i s HIS 106 Cb 0.00 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.64 1a2i s HIS 106 CO 0.03 0.56 0.00 0.39 -0.85 0.00 0.00 174.74 174.87