#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2i s PRO 2 N 0.00 -0.58 0.67 0.00 0.04 -1.26 -5.07 135.00 128.80 1a2i s PRO 2 Ca 0.00 -0.36 -0.03 0.00 0.04 0.00 0.00 61.00 60.64 1a2i s PRO 2 Cb 0.00 -1.70 0.07 0.00 0.04 0.00 0.00 34.50 32.91 1a2i s PRO 2 CO 0.00 -3.24 0.95 0.15 0.04 0.00 0.00 177.00 174.90 1a2i s LYS 3 N -5.74 2.11 0.62 4.56 1.02 -1.26 -5.05 119.74 116.01 1a2i s LYS 3 Ca 0.74 -0.61 -0.18 0.00 0.02 0.00 0.00 55.97 55.94 1a2i s LYS 3 Cb -0.05 -2.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.96 1a2i s LYS 3 CO 0.55 -1.18 1.20 0.00 -0.92 0.00 0.00 175.35 175.00 1a2i s ALA 4 N -3.10 2.46 0.96 5.17 0.00 -1.26 -5.01 121.76 120.97 1a2i s ALA 4 Ca 0.61 0.96 -0.14 0.00 0.00 0.00 0.00 51.96 53.39 1a2i s ALA 4 Cb -0.09 -3.45 0.17 0.00 0.00 0.00 0.00 23.12 19.75 1a2i s ALA 4 CO 0.43 -1.32 1.16 -1.25 0.00 0.00 0.00 175.76 174.78 1a2i s PRO 5 N -3.50 0.75 1.16 0.00 0.04 -1.26 -5.02 135.00 127.17 1a2i s PRO 5 Ca 0.76 0.14 -0.17 0.00 0.04 0.00 0.00 61.00 61.77 1a2i s PRO 5 Cb -0.30 -1.81 0.19 0.00 0.04 0.00 0.00 34.50 32.63 1a2i s PRO 5 CO 0.36 -2.43 0.37 0.00 0.04 0.00 0.00 177.00 175.33 1a2i n ALA 6 N -3.90 -3.71 -2.64 8.56 0.00 -1.26 -4.82 120.51 112.74 1a2i n ALA 6 Ca 0.09 -1.32 -0.26 0.00 0.00 0.00 0.00 53.44 51.95 1a2i n ALA 6 Cb 0.59 -1.61 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 1a2i n ALA 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a2i s ASP 7 N -2.08 6.35 0.00 0.00 1.01 -1.26 -4.45 116.67 116.23 1a2i s ASP 7 Ca 0.59 0.51 0.00 0.00 0.71 0.00 0.00 52.55 54.36 1a2i s ASP 7 Cb -0.15 -2.06 0.00 0.00 1.01 0.00 0.00 42.92 41.72 1a2i s ASP 7 CO 0.63 -0.23 0.00 0.61 0.21 0.00 0.00 175.17 176.39 1a2i n GLY 8 N -1.38 1.04 3.56 0.21 0.00 -1.26 -4.99 105.19 102.37 1a2i n GLY 8 Ca -0.04 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.02 3.29 -0.24 0.99 1.98 -1.12 -4.91 118.68 118.66 1a2i s LEU 9 Ca 0.00 -0.68 -0.14 0.00 -2.89 0.00 0.00 54.13 50.41 1a2i s LEU 9 Cb 0.00 -2.56 -0.04 0.00 0.66 0.00 0.00 46.19 44.25 1a2i s LEU 9 CO 0.00 -2.14 0.34 -0.75 -1.89 0.00 0.00 176.35 171.91 1a2i s LYS 10 N 6.17 4.09 -0.35 1.98 2.20 -1.26 -1.62 119.74 130.96 1a2i s LYS 10 Ca 0.56 0.05 -0.06 0.00 -0.36 0.00 0.00 55.97 56.15 1a2i s LYS 10 Cb -0.06 -3.58 0.05 0.00 -1.51 0.00 0.00 37.83 32.72 1a2i s LYS 10 CO 0.03 -0.11 0.12 0.00 -0.36 0.00 0.00 175.35 175.03 1a2i s MET 11 N 1.56 2.58 -0.87 4.03 0.23 0.59 -4.94 119.30 122.49 1a2i s MET 11 Ca 0.15 -1.24 0.01 0.00 -1.03 0.00 0.00 55.69 53.58 1a2i s MET 11 Cb -0.15 -3.49 0.29 0.00 -1.53 0.00 0.00 34.83 29.95 1a2i s MET 11 CO 0.08 -0.71 1.21 -1.91 -2.03 0.00 0.00 175.02 171.66 1a2i n GLU 12 N 4.81 3.77 0.08 3.16 0.00 -1.26 -2.21 120.64 128.98 1a2i n GLU 12 Ca -0.12 -4.64 0.12 0.00 0.00 0.00 0.00 57.16 52.52 1a2i n GLU 12 Cb 0.44 -2.39 0.06 0.00 0.00 0.00 0.00 31.44 29.55 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 0.88 2.78 -2.62 4.31 0.00 -1.26 -4.93 120.51 119.67 1a2i n ALA 13 Ca 0.30 -0.26 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 1a2i n ALA 13 Cb 0.36 -1.11 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 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 -3.28 0.72 -0.75 0.00 -4.23 -1.26 -5.00 115.64 101.85 1a2i s THR 14 Ca 0.02 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.66 1a2i s THR 14 Cb 0.11 -2.21 0.12 0.00 1.34 0.00 0.00 72.50 71.86 1a2i s THR 14 CO 0.77 0.00 1.38 1.17 -0.54 0.00 0.00 174.62 177.40 1a2i n LYS 15 N -1.07 0.06 -3.88 3.99 4.81 -1.26 -3.95 118.16 116.85 1a2i n LYS 15 Ca -0.11 0.45 -0.30 0.00 -0.87 0.00 0.00 58.31 57.47 1a2i n LYS 15 Cb 0.65 -1.66 -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 -3.17 1.30 0.78 1.64 -1.52 -1.26 -5.11 119.66 112.32 1a2i s GLN 16 Ca 0.02 -1.77 -0.11 0.00 -1.95 0.00 0.00 55.36 51.54 1a2i s GLN 16 Cb 0.05 -2.74 0.06 0.00 -0.22 0.00 0.00 33.01 30.17 1a2i s GLN 16 CO 0.18 -1.01 1.09 -1.25 -0.25 0.00 0.00 175.29 174.05 1a2i s PRO 17 N 0.85 2.21 0.02 2.91 0.04 -1.25 -4.82 135.00 134.95 1a2i s PRO 17 Ca 0.13 0.69 -0.04 0.00 0.04 0.00 0.00 61.00 61.82 1a2i s PRO 17 Cb -0.20 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1a2i s PRO 17 CO -0.11 -1.55 0.05 0.08 0.04 0.00 0.00 177.00 175.52 1a2i s VAL 18 N -3.14 0.12 -0.23 -0.36 1.01 -0.94 -4.78 120.40 112.07 1a2i s VAL 18 Ca 0.60 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1a2i s VAL 18 Cb -0.14 -0.58 0.04 0.00 0.00 0.00 0.00 36.38 35.70 1a2i s VAL 18 CO 0.54 -0.53 -0.13 -0.69 0.00 0.00 0.00 175.10 174.29 1a2i s VAL 19 N -1.93 2.23 -0.09 2.92 1.01 -1.26 -0.30 120.40 122.97 1a2i s VAL 19 Ca -0.11 -1.31 -0.02 0.00 0.00 0.00 0.00 61.98 60.54 1a2i s VAL 19 Cb -0.06 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1a2i s VAL 19 CO -0.02 0.20 -0.02 0.12 0.00 0.00 0.00 175.10 175.38 1a2i s PHE 20 N 1.20 3.10 -0.23 5.22 5.36 -0.64 -4.93 117.98 127.06 1a2i s PHE 20 Ca -0.03 0.10 0.02 0.00 -0.96 0.00 0.00 56.93 56.06 1a2i s PHE 20 Cb -0.17 -1.80 0.04 0.00 -0.34 0.00 0.00 43.02 40.75 1a2i s PHE 20 CO -0.08 0.38 -0.13 -0.80 -1.46 0.00 0.00 175.22 173.13 1a2i s ASN 21 N -0.70 4.02 0.59 6.13 0.01 -1.26 -2.81 114.94 120.92 1a2i s ASN 21 Ca 0.11 -1.09 0.36 0.00 -0.71 0.00 0.00 52.86 51.53 1a2i s ASN 21 Cb -0.12 -1.55 1.79 0.00 0.41 0.00 0.00 41.25 41.79 1a2i s ASN 21 CO 0.02 -0.12 2.16 0.45 -1.51 0.00 0.00 177.10 178.10 1a2i h HIS 22 N 7.86 0.00 0.00 2.20 3.86 -1.87 0.47 115.15 127.66 1a2i h HIS 22 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 1a2i h HIS 22 Cb 1.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1a2i h HIS 22 CO 0.58 0.03 0.00 -1.13 0.86 0.00 0.00 177.93 178.27 1a2i n SER 23 N -3.25 0.00 -0.09 2.45 3.41 -1.26 -2.71 113.62 112.17 1a2i n SER 23 Ca -0.01 -0.32 -0.11 0.00 -0.26 0.00 0.00 58.87 58.17 1a2i n SER 23 Cb 0.20 -0.18 -0.12 0.00 -0.26 0.00 0.00 64.21 63.85 1a2i n SER 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1a2i n THR 24 N -1.18 1.19 -1.34 6.66 -1.04 0.14 -4.42 114.28 114.30 1a2i n THR 24 Ca 0.14 -0.63 -0.29 0.00 -2.04 0.00 0.00 64.05 61.22 1a2i n THR 24 Cb 0.15 -0.81 0.11 0.00 -1.82 0.00 0.00 70.33 67.96 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 -2.81 3.06 -0.11 -1.42 8.25 -1.11 -4.51 115.22 116.58 1a2i n HIS 25 Ca -0.31 -2.55 -0.09 0.00 -0.26 0.00 0.00 57.72 54.51 1a2i n HIS 25 Cb 1.00 -1.19 0.06 0.00 1.12 0.00 0.00 29.99 30.98 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 1.64 0.83 0.00 -0.41 1.57 -1.72 -2.02 116.57 116.46 1a2i h LYS 26 Ca 0.59 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1a2i h LYS 26 Cb 1.56 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.83 1a2i h LYS 26 CO 1.34 0.98 0.00 0.66 -0.57 0.00 0.00 179.45 181.86 1a2i h SER 27 N 0.72 0.00 -3.50 0.86 4.64 -1.90 -3.43 113.55 110.94 1a2i h SER 27 Ca 0.10 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.89 1a2i h SER 27 Cb 0.76 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.82 1a2i h SER 27 CO 0.06 0.00 0.12 -0.69 -0.87 0.00 0.00 176.83 175.45 1a2i s VAL 28 N -3.30 4.49 0.35 0.95 1.01 -0.76 -5.04 120.40 118.10 1a2i s VAL 28 Ca 0.06 1.48 -0.27 0.00 0.00 0.00 0.00 61.98 63.25 1a2i s VAL 28 Cb 0.10 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 1a2i s VAL 28 CO 0.48 0.42 1.11 -0.54 0.00 0.00 0.00 175.10 176.57 1a2i s LYS 29 N -1.43 4.34 0.39 2.72 1.02 -1.26 -4.92 119.74 120.59 1a2i s LYS 29 Ca 0.37 1.73 0.10 0.00 0.02 0.00 0.00 55.97 58.20 1a2i s LYS 29 Cb -0.20 -2.86 0.79 0.00 -0.52 0.00 0.00 37.83 35.04 1a2i s LYS 29 CO 0.23 -0.04 1.91 0.00 -0.92 0.00 0.00 175.35 176.53 1a2i n GLY 31 N -0.85 -1.03 0.10 0.00 0.00 -1.26 0.03 105.19 102.18 1a2i n GLY 31 Ca -0.01 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 0.37 0.00 1.61 1.82 -1.31 -3.34 116.42 115.58 1a2i h ASP 32 Ca 0.00 -0.41 -0.17 0.00 -0.39 0.00 0.00 57.03 56.06 1a2i h ASP 32 Cb 0.17 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.04 1a2i h ASP 32 CO 0.00 1.32 -1.42 0.00 -1.61 0.00 0.00 179.24 177.54 1a2i n HIS 34 N -4.06 1.53 -1.34 0.00 8.25 0.10 -4.93 115.22 114.78 1a2i n HIS 34 Ca -0.25 -2.29 -0.40 0.00 -0.26 0.00 0.00 57.72 54.53 1a2i n HIS 34 Cb 0.58 -1.96 0.02 0.00 1.12 0.00 0.00 29.99 29.75 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 3.62 -1.86 -2.39 4.41 1.44 -1.25 -4.56 115.22 114.63 1a2i n HIS 35 Ca 0.57 0.50 -0.43 0.00 -2.01 0.00 0.00 57.72 56.35 1a2i n HIS 35 Cb 0.29 -1.81 -0.02 0.00 0.12 0.00 0.00 29.99 28.57 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 -1.37 4.01 -0.03 -1.40 0.04 -1.26 -4.72 135.00 130.27 1a2i s PRO 36 Ca 0.61 1.43 -0.01 0.00 0.04 0.00 0.00 61.00 63.07 1a2i s PRO 36 Cb -0.52 -3.86 -0.00 0.00 0.04 0.00 0.00 34.50 30.16 1a2i s PRO 36 CO 0.61 -1.00 -0.03 0.28 0.04 0.00 0.00 177.00 176.91 1a2i h VAL 37 N 5.82 0.00 -0.90 -0.36 2.07 -1.85 -3.39 116.25 117.63 1a2i h VAL 37 Ca -0.27 -0.20 -0.53 0.00 0.82 0.00 0.00 66.70 66.52 1a2i h VAL 37 Cb 1.11 0.00 -0.27 0.00 -1.52 0.00 0.00 31.29 30.60 1a2i h VAL 37 CO 1.01 0.00 0.68 -3.20 0.02 0.00 0.00 177.57 176.08 1a2i n ASN 38 N -2.69 5.36 0.00 0.57 2.85 -1.26 -4.78 115.26 115.31 1a2i n ASN 38 Ca -0.01 -3.54 0.00 0.00 -0.11 0.00 0.00 54.58 50.91 1a2i n ASN 38 Cb 0.04 -0.89 0.00 0.00 1.24 0.00 0.00 39.78 40.17 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 -0.86 1.00 3.42 8.20 0.00 -1.26 -5.00 105.19 110.69 1a2i n GLY 39 Ca 0.55 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.06 1.65 -1.15 1.61 -2.85 -1.26 -4.99 119.74 112.68 1a2i s LYS 40 Ca 0.00 -1.22 -0.10 0.00 -1.00 0.00 0.00 55.97 53.65 1a2i s LYS 40 Cb 0.00 -2.01 0.25 0.00 -2.06 0.00 0.00 37.83 34.01 1a2i s LYS 40 CO 0.00 0.48 1.30 0.39 0.10 0.00 0.00 175.35 177.61 1a2i n GLU 41 N 1.06 3.64 -2.49 1.78 1.02 -1.26 -3.08 120.64 121.31 1a2i n GLU 41 Ca -0.17 -4.26 -0.42 0.00 -0.02 0.00 0.00 57.16 52.29 1a2i n GLU 41 Cb 0.53 -2.69 -0.03 0.00 -0.02 0.00 0.00 31.44 29.23 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 1.23 7.10 -1.23 1.62 1.47 -1.26 -4.95 116.67 120.64 1a2i s ASP 42 Ca 0.35 1.84 -0.12 0.00 1.18 0.00 0.00 52.55 55.80 1a2i s ASP 42 Cb -0.05 -2.57 0.18 0.00 -0.34 0.00 0.00 42.92 40.14 1a2i s ASP 42 CO -0.03 -0.51 1.61 -1.22 0.68 0.00 0.00 175.17 175.70 1a2i n TYR 43 N 4.70 4.12 -4.70 2.11 4.01 -1.26 -4.89 117.16 121.24 1a2i n TYR 43 Ca 0.10 -3.13 -0.31 0.00 -0.16 0.00 0.00 57.90 54.40 1a2i n TYR 43 Cb 0.47 -2.06 -0.09 0.00 -0.31 0.00 0.00 39.34 37.34 1a2i n TYR 43 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1a2i s ARG 44 N 0.94 2.09 0.03 -0.72 3.52 -1.26 -5.10 118.95 118.45 1a2i s ARG 44 Ca 0.41 -2.28 -0.30 0.00 -0.13 0.00 0.00 55.73 53.43 1a2i s ARG 44 Cb 0.02 -1.54 -0.05 0.00 -1.56 0.00 0.00 34.95 31.81 1a2i s ARG 44 CO 0.00 -0.24 1.24 0.15 -0.81 0.00 0.00 175.30 175.65 1a2i s LYS 45 N -3.81 4.38 0.21 5.12 3.01 -1.26 -4.91 119.74 122.48 1a2i s LYS 45 Ca 0.18 1.80 -0.10 0.00 -1.01 0.00 0.00 55.97 56.84 1a2i s LYS 45 Cb 0.05 -3.42 0.27 0.00 -1.01 0.00 0.00 37.83 33.72 1a2i s LYS 45 CO 0.09 -0.36 1.74 0.00 0.51 0.00 0.00 175.35 177.33 1a2i n GLY 47 N -1.29 3.03 3.81 0.00 0.00 -1.26 -2.61 105.19 106.86 1a2i n GLY 47 Ca 0.08 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.58 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 1.40 5.23 -0.28 2.61 2.01 -0.72 -4.91 115.64 120.98 1a2i s THR 48 Ca 0.61 0.62 -0.31 0.00 0.31 0.00 0.00 61.69 62.92 1a2i s THR 48 Cb 0.27 -3.62 -0.08 0.00 0.01 0.00 0.00 72.50 69.07 1a2i s THR 48 CO -0.01 0.52 2.21 0.00 -0.69 0.00 0.00 174.62 176.65 1a2i n ALA 49 N 2.50 1.46 0.00 7.40 0.00 -1.26 0.42 120.51 131.03 1a2i n ALA 49 Ca -0.14 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1a2i n ALA 49 Cb 0.53 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 17.23 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 6.15 2.00 0.00 0.00 0.00 -1.26 -5.01 105.19 107.07 1a2i n GLY 50 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 2.76 -3.50 0.00 8.25 -1.07 -4.77 115.22 116.89 1a2i n HIS 52 Ca 0.00 -2.81 -0.27 0.00 -0.26 0.00 0.00 57.72 54.38 1a2i n HIS 52 Cb 0.00 -1.33 -0.10 0.00 1.12 0.00 0.00 29.99 29.68 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 1.54 0.82 -0.08 0.41 2.03 -1.25 -4.40 116.55 115.62 1a2i n ASP 53 Ca 0.26 -2.71 -0.10 0.00 0.52 0.00 0.00 54.79 52.75 1a2i n ASP 53 Cb 0.34 -0.63 -0.10 0.00 -0.72 0.00 0.00 41.12 40.02 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 2.27 2.13 -3.47 1.67 2.88 -1.23 -4.85 113.62 113.02 1a2i n SER 54 Ca 0.26 -0.06 -0.25 0.00 -1.33 0.00 0.00 58.87 57.49 1a2i n SER 54 Cb 0.45 0.19 0.01 0.00 -0.75 0.00 0.00 64.21 64.11 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 -2.82 -4.31 -0.07 -1.46 2.81 -1.26 -4.83 117.12 105.19 1a2i n MET 55 Ca -0.28 0.59 -0.12 0.00 -1.81 0.00 0.00 57.70 56.08 1a2i n MET 55 Cb 0.89 -5.39 -0.05 0.00 -0.71 0.00 0.00 33.22 27.96 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 -2.50 1.82 0.00 7.83 9.92 -1.26 -4.98 116.55 127.37 1a2i n ASP 56 Ca -0.01 0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1a2i n ASP 56 Cb 0.55 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 1a2i n ASP 56 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1a2i n LYS 57 N -3.29 0.00 -0.96 -1.24 0.00 -1.26 -4.55 118.16 106.85 1a2i n LYS 57 Ca -0.25 0.00 -0.26 0.00 0.00 0.00 0.00 58.31 57.80 1a2i n LYS 57 Cb 0.71 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.70 1a2i n LYS 57 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1a2i n LYS 58 N 0.00 2.62 -2.68 1.64 0.00 -1.26 -3.67 118.16 114.81 1a2i n LYS 58 Ca 0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 58.31 56.63 1a2i n LYS 58 Cb 0.00 -2.49 0.08 0.00 0.00 0.00 0.00 35.03 32.62 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 3.69 -1.47 -4.30 3.14 2.03 -1.26 -5.10 116.55 113.28 1a2i n ASP 59 Ca 0.56 -2.20 -0.57 0.00 0.52 0.00 0.00 54.79 53.10 1a2i n ASP 59 Cb 0.27 1.25 -0.12 0.00 -0.72 0.00 0.00 41.12 41.79 1a2i n ASP 59 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1a2i n LYS 60 N 0.10 0.03 -3.82 -0.67 2.85 -1.24 -4.53 118.16 110.88 1a2i n LYS 60 Ca -0.09 0.01 -0.06 0.00 -1.05 0.00 0.00 58.31 57.12 1a2i n LYS 60 Cb 0.73 -1.53 -0.01 0.00 -0.65 0.00 0.00 35.03 33.56 1a2i n LYS 60 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1a2i s SER 61 N 6.55 -0.20 0.17 -5.58 0.15 -1.26 -4.96 113.70 108.56 1a2i s SER 61 Ca 1.22 -0.56 -0.16 0.00 0.70 0.00 0.00 55.95 57.15 1a2i s SER 61 Cb -1.44 0.63 0.11 0.00 -1.71 0.00 0.00 66.02 63.61 1a2i s SER 61 CO 0.63 -1.18 1.69 0.00 1.20 0.00 0.00 173.24 175.57 1a2i h ALA 62 N 2.00 0.34 0.00 5.45 0.00 -1.96 0.66 119.26 125.75 1a2i h ALA 62 Ca -0.22 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1a2i h ALA 62 Cb 1.24 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1a2i h ALA 62 CO 0.25 -0.41 -0.01 0.87 0.00 0.00 0.00 179.25 179.95 1a2i h LYS 63 N 0.07 0.00 -5.73 0.00 1.79 -1.92 -3.39 116.57 107.39 1a2i h LYS 63 Ca 0.20 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.36 1a2i h LYS 63 Cb 0.29 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.90 1a2i h LYS 63 CO -0.36 0.01 0.80 0.20 -1.08 0.00 0.00 179.45 179.02 1a2i s GLY 64 N -4.17 0.08 0.32 3.86 0.00 0.23 -3.46 107.32 104.18 1a2i s GLY 64 Ca -0.02 -1.26 0.06 0.00 0.00 0.00 0.00 44.72 43.50 1a2i s GLY 64 CO 0.48 3.56 1.82 -1.82 0.00 0.00 0.00 173.10 177.13 1a2i h TYR 65 N 12.26 1.01 0.00 1.90 3.20 -1.78 0.92 116.97 134.49 1a2i h TYR 65 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1a2i h TYR 65 Cb 1.04 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.00 1a2i h TYR 65 CO 1.18 0.31 0.00 0.98 -1.64 0.00 0.00 178.16 178.98 1a2i n TYR 66 N -4.67 0.00 0.49 -3.82 4.19 -1.26 -2.44 117.16 109.66 1a2i n TYR 66 Ca 0.21 0.00 0.10 0.00 3.31 0.00 0.00 57.90 61.51 1a2i n TYR 66 Cb 0.50 -0.02 -0.13 0.00 0.49 0.00 0.00 39.34 40.18 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 -1.02 0.00 -0.15 2.98 -0.00 0.31 -3.91 115.22 113.43 1a2i n HIS 67 Ca 0.21 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.50 1a2i n HIS 67 Cb 0.11 -0.21 0.27 0.00 -0.12 0.00 0.00 29.99 30.04 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 -1.80 0.85 0.08 3.57 0.24 -0.82 -2.68 118.33 117.77 1a2i n VAL 68 Ca 0.00 -0.92 0.01 0.00 -2.04 0.00 0.00 64.34 61.39 1a2i n VAL 68 Cb 0.40 0.64 -0.02 0.00 -1.47 0.00 0.00 33.84 33.40 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 1.45 3.64 0.08 7.34 2.81 -1.21 -3.75 117.12 127.47 1a2i n MET 69 Ca 0.21 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 1a2i n MET 69 Cb 0.59 -0.81 0.00 0.00 -0.71 0.00 0.00 33.22 32.28 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 -1.28 -1.26 -1.52 2.03 8.25 -1.25 -2.79 115.22 117.39 1a2i n HIS 70 Ca 0.00 0.22 -0.59 0.00 -0.26 0.00 0.00 57.72 57.09 1a2i n HIS 70 Cb 0.06 0.38 -0.08 0.00 1.12 0.00 0.00 29.99 31.47 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 -3.21 0.55 -0.06 0.41 2.03 -1.09 -3.92 116.55 111.26 1a2i n ASP 71 Ca 0.00 1.10 -0.10 0.00 0.52 0.00 0.00 54.79 56.31 1a2i n ASP 71 Cb 0.00 -0.84 -0.15 0.00 -0.72 0.00 0.00 41.12 39.41 1a2i n ASP 71 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1a2i n LYS 72 N 2.54 0.66 -0.97 -0.67 4.01 -1.26 -4.53 118.16 117.94 1a2i n LYS 72 Ca 0.24 0.15 -0.33 0.00 -0.51 0.00 0.00 58.31 57.86 1a2i n LYS 72 Cb 0.01 -1.66 -0.03 0.00 -0.51 0.00 0.00 35.03 32.83 1a2i n LYS 72 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1a2i n ASN 73 N -2.93 3.80 -4.25 4.39 0.23 -1.26 -4.80 115.26 110.44 1a2i n ASN 73 Ca -0.25 -2.51 -0.17 0.00 -0.53 0.00 0.00 54.58 51.12 1a2i n ASN 73 Cb 1.10 -1.13 -0.11 0.00 -2.08 0.00 0.00 39.78 37.56 1a2i n ASN 73 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1a2i s THR 74 N 4.12 1.34 0.40 5.53 -4.23 -1.26 -5.02 115.64 116.52 1a2i s THR 74 Ca 0.48 -1.84 0.21 0.00 -1.18 0.00 0.00 61.69 59.36 1a2i s THR 74 Cb 0.12 -1.64 0.22 0.00 1.34 0.00 0.00 72.50 72.54 1a2i s THR 74 CO 0.03 -0.50 1.99 0.50 -0.54 0.00 0.00 174.62 176.10 1a2i h LYS 75 N 3.27 0.00 -6.34 3.99 3.64 -1.98 -3.43 116.57 115.72 1a2i h LYS 75 Ca -0.39 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.39 1a2i h LYS 75 Cb 1.20 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.89 1a2i h LYS 75 CO 0.54 0.19 -0.70 -0.06 -2.27 0.00 0.00 179.45 177.16 1a2i s PHE 76 N -4.29 2.64 0.10 1.91 0.08 -1.26 -5.08 117.98 112.07 1a2i s PHE 76 Ca -0.03 -0.23 -0.31 0.00 0.12 0.00 0.00 56.93 56.48 1a2i s PHE 76 Cb 0.14 -1.23 -0.09 0.00 -0.57 0.00 0.00 43.02 41.26 1a2i s PHE 76 CO 0.65 0.57 1.66 0.15 -0.10 0.00 0.00 175.22 178.14 1a2i s LYS 77 N -3.18 4.19 0.18 0.44 1.02 -1.26 -4.99 119.74 116.15 1a2i s LYS 77 Ca 0.28 2.38 0.02 0.00 0.02 0.00 0.00 55.97 58.66 1a2i s LYS 77 Cb -0.08 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 1a2i s LYS 77 CO 0.17 -0.72 0.33 -1.54 -0.92 0.00 0.00 175.35 172.67 1a2i s SER 78 N 2.12 6.35 0.05 2.83 1.04 -1.26 -4.84 113.70 119.98 1a2i s SER 78 Ca 0.74 0.22 -0.10 0.00 0.48 0.00 0.00 55.95 57.28 1a2i s SER 78 Cb -0.42 -1.93 -0.03 0.00 0.10 0.00 0.00 66.02 63.74 1a2i s SER 78 CO 0.33 -0.00 1.18 0.00 0.98 0.00 0.00 173.24 175.72 1a2i h VAL 80 N -0.06 1.23 0.06 0.00 2.07 -1.73 -0.11 116.25 117.71 1a2i h VAL 80 Ca 0.04 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1a2i h VAL 80 Cb 0.16 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1a2i h VAL 80 CO -0.25 0.30 -0.50 1.23 0.02 0.00 0.00 177.57 178.37 1a2i h GLY 81 N 0.99 -1.05 0.93 2.17 0.00 -0.80 1.68 103.07 106.98 1a2i h GLY 81 Ca 0.19 0.62 -0.02 0.00 0.00 0.00 0.00 47.33 48.11 1a2i h GLY 81 CO -0.01 -0.26 0.13 0.00 0.00 0.00 0.00 176.54 176.41 1a2i h HIS 83 N 0.42 0.57 -0.83 0.00 3.86 -0.34 0.47 115.15 119.29 1a2i h HIS 83 Ca 0.12 0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.43 1a2i h HIS 83 Cb 0.21 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.49 1a2i h HIS 83 CO 0.00 0.14 0.54 0.28 0.86 0.00 0.00 177.93 179.75 1a2i h VAL 84 N 0.51 1.02 -0.03 2.45 2.07 0.30 1.68 116.25 124.25 1a2i h VAL 84 Ca 0.38 -0.30 -0.19 0.00 0.82 0.00 0.00 66.70 67.41 1a2i h VAL 84 Cb 0.51 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1a2i h VAL 84 CO -0.34 0.16 -0.81 -0.33 0.02 0.00 0.00 177.57 176.27 1a2i h GLU 85 N 0.88 0.29 0.10 1.57 4.39 -0.02 0.75 114.58 122.55 1a2i h GLU 85 Ca 0.37 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1a2i h GLU 85 Cb 0.29 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1a2i h GLU 85 CO -0.14 0.95 -0.05 0.28 -1.16 0.00 0.00 179.01 178.90 1a2i h VAL 86 N 0.18 0.95 -0.44 3.13 2.07 0.16 -3.30 116.25 118.99 1a2i h VAL 86 Ca -0.04 -1.35 -0.11 0.00 0.82 0.00 0.00 66.70 66.02 1a2i h VAL 86 Cb 1.40 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 1a2i h VAL 86 CO 0.13 0.27 -0.17 0.00 0.02 0.00 0.00 177.57 177.82 1a2i h ALA 87 N -0.30 0.86 0.00 1.67 0.00 0.23 -3.46 119.26 118.26 1a2i h ALA 87 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1a2i h ALA 87 Cb 0.55 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1a2i h ALA 87 CO 0.02 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.32 1a2i n GLY 88 N -0.28 2.38 2.71 0.00 0.00 0.26 -1.14 105.19 109.13 1a2i n GLY 88 Ca 0.01 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 6.66 5.81 0.09 4.61 0.00 -1.26 -4.44 120.51 131.98 1a2i n ALA 89 Ca 0.00 -4.60 0.05 0.00 0.00 0.00 0.00 53.44 48.89 1a2i n ALA 89 Cb 0.00 -1.86 -0.07 0.00 0.00 0.00 0.00 19.45 17.52 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 -0.13 2.23 -1.57 0.00 -0.08 -0.29 -5.11 116.55 111.60 1a2i n ASP 90 Ca 0.44 -0.15 0.04 0.00 -1.51 0.00 0.00 54.79 53.61 1a2i n ASP 90 Cb 0.29 1.36 -0.02 0.00 2.34 0.00 0.00 41.12 45.09 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 -1.72 -2.44 0.00 -1.67 0.00 -1.26 -4.65 120.51 108.77 1a2i n ALA 91 Ca -0.01 0.61 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1a2i n ALA 91 Cb 0.24 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1a2i n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a2i n ALA 92 N -3.06 0.00 -0.12 0.00 0.00 -1.26 -4.46 120.51 111.61 1a2i n ALA 92 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 1a2i n ALA 92 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 1a2i n ALA 92 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1a2i h LYS 93 N 0.00 0.84 0.00 0.00 1.57 -1.91 -1.82 116.57 115.25 1a2i h LYS 93 Ca 0.00 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1a2i h LYS 93 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1a2i h LYS 93 CO 0.00 1.04 0.00 0.36 -0.57 0.00 0.00 179.45 180.28 1a2i n LYS 94 N -4.19 0.02 0.00 3.15 2.85 -1.26 0.26 118.16 118.98 1a2i n LYS 94 Ca -0.02 0.40 0.11 0.00 -1.05 0.00 0.00 58.31 57.75 1a2i n LYS 94 Cb 0.47 -1.55 -0.12 0.00 -0.65 0.00 0.00 35.03 33.18 1a2i n LYS 94 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1a2i n LYS 95 N -1.59 0.36 0.00 -1.58 4.81 -0.74 -0.42 118.16 119.00 1a2i n LYS 95 Ca 0.01 -0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 1a2i n LYS 95 Cb 0.09 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 33.60 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 -1.95 1.39 0.00 3.14 8.00 0.86 -3.79 116.55 124.21 1a2i n ASP 96 Ca -0.00 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.09 1a2i n ASP 96 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 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 -0.20 0.80 -0.13 0.64 4.77 0.72 -2.82 117.00 120.77 1a2i n LEU 97 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 1a2i n LEU 97 Cb 0.11 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1a2i n LEU 97 CO 0.00 0.08 0.49 0.35 -1.33 0.00 0.00 177.39 176.98 1a2i n THR 98 N -2.73 0.85 -1.76 -5.08 -2.24 -0.98 -4.78 114.28 97.57 1a2i n THR 98 Ca 0.00 -0.93 -0.37 0.00 -2.27 0.00 0.00 64.05 60.48 1a2i n THR 98 Cb 0.42 0.58 0.06 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.88 2.87 -0.14 3.38 0.00 0.44 -4.87 107.32 108.11 1a2i s GLY 99 Ca 0.05 1.24 -0.10 0.00 0.00 0.00 0.00 44.72 45.91 1a2i s GLY 99 CO 0.03 1.68 -0.04 0.00 0.00 0.00 0.00 173.10 174.78 1a2i s LYS 101 N -2.09 2.57 -0.31 0.00 2.36 -1.26 -4.62 119.74 116.38 1a2i s LYS 101 Ca -0.13 -0.87 -0.00 0.00 -2.55 0.00 0.00 55.97 52.41 1a2i s LYS 101 Cb 0.02 -2.20 0.00 0.00 -1.05 0.00 0.00 37.83 34.60 1a2i s LYS 101 CO 0.24 0.41 0.26 1.63 1.55 0.00 0.00 175.35 179.44 1a2i n LYS 102 N 2.89 -1.74 -3.29 4.03 5.02 -1.22 -5.02 118.16 118.82 1a2i n LYS 102 Ca -0.17 0.22 -0.15 0.00 -2.02 0.00 0.00 58.31 56.19 1a2i n LYS 102 Cb 0.52 -3.38 -0.03 0.00 -0.02 0.00 0.00 35.03 32.12 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 -1.50 2.19 0.10 4.39 3.41 0.26 -4.72 113.62 117.75 1a2i n SER 103 Ca -0.07 -2.10 -0.06 0.00 -0.26 0.00 0.00 58.87 56.38 1a2i n SER 103 Cb 0.54 0.29 0.04 0.00 -0.26 0.00 0.00 64.21 64.82 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 0.10 0.00 4.33 1.79 -1.76 -3.34 116.57 117.68 1a2i h LYS 104 Ca -0.19 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1a2i h LYS 104 Cb 0.63 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1a2i h LYS 104 CO 0.32 0.84 -0.03 0.00 -1.08 0.00 0.00 179.45 179.49 1a2i s HIS 106 N -1.48 3.44 -0.24 0.00 3.76 -1.25 -4.49 115.29 115.01 1a2i s HIS 106 Ca -0.01 0.30 0.02 0.00 -0.15 0.00 0.00 55.06 55.22 1a2i s HIS 106 Cb 0.00 -1.79 0.02 0.00 1.11 0.00 0.00 32.58 31.91 1a2i s HIS 106 CO 0.01 0.61 0.56 -0.85 -0.85 0.00 0.00 174.74 174.23