#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8g s LEU 5 N 0.00 4.04 0.24 -3.43 1.98 -1.26 -5.01 118.68 115.24 3i8g s LEU 5 Ca 0.00 -0.12 0.00 0.00 -2.89 0.00 0.00 54.13 51.12 3i8g s LEU 5 Cb 0.00 -2.59 0.00 0.00 0.66 0.00 0.00 46.19 44.26 3i8g s LEU 5 CO 0.00 -0.09 0.00 0.29 -1.89 0.00 0.00 176.35 174.66 3i8g n LYS 6 N -1.32 0.00 -3.55 1.98 4.01 -1.26 -5.06 118.16 112.97 3i8g n LYS 6 Ca -0.08 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.31 3i8g n LYS 6 Cb 0.58 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 35.00 3i8g n LYS 6 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3i8g s LYS 7 N -1.62 2.67 -0.30 1.97 1.02 -1.26 -4.75 119.74 117.47 3i8g s LYS 7 Ca 0.00 -1.49 -0.02 0.00 0.02 0.00 0.00 55.97 54.48 3i8g s LYS 7 Cb 0.00 -3.88 -0.02 0.00 -0.52 0.00 0.00 37.83 33.41 3i8g s LYS 7 CO 0.00 -1.02 0.27 0.41 -0.92 0.00 0.00 175.35 174.09 3i8g n GLY 8 N 4.98 0.30 0.00 -3.33 0.00 -1.26 -4.97 105.19 100.91 3i8g n GLY 8 Ca -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3i8g n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i8g n VAL 9 N -1.99 0.00 -1.30 1.61 0.31 -1.26 -4.81 118.33 110.89 3i8g n VAL 9 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3i8g n VAL 9 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 3i8g n VAL 9 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3i8g n PHE 10 N 0.00 0.00 -1.22 3.52 3.72 -1.26 -4.86 117.46 117.36 3i8g n PHE 10 Ca 0.00 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.04 3i8g n PHE 10 Cb 0.00 0.02 0.08 0.00 -0.94 0.00 0.00 39.48 38.64 3i8g n PHE 10 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 3i8g n VAL 11 N 0.00 1.73 -2.47 -4.37 3.14 -1.26 -4.72 118.33 110.38 3i8g n VAL 11 Ca 0.00 -0.36 -0.29 0.00 -2.96 0.00 0.00 64.34 60.73 3i8g n VAL 11 Cb 0.09 -0.79 -0.00 0.00 -1.06 0.00 0.00 33.84 32.08 3i8g n VAL 11 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 3i8g s ASP 12 N -1.58 6.32 -0.14 6.55 -0.00 -1.26 -4.87 116.67 121.68 3i8g s ASP 12 Ca 0.66 1.12 -0.15 0.00 -0.00 0.00 0.00 52.55 54.17 3i8g s ASP 12 Cb -0.33 -2.33 -0.13 0.00 -0.00 0.00 0.00 42.92 40.13 3i8g s ASP 12 CO 0.58 -0.62 0.25 0.44 -0.00 0.00 0.00 175.17 175.82 3i8g h ASP 13 N 0.30 0.00 0.00 0.27 3.32 -2.01 -3.32 116.42 114.98 3i8g h ASP 13 Ca -0.46 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.17 3i8g h ASP 13 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3i8g h ASP 13 CO 0.62 0.92 0.11 1.12 -1.72 0.00 0.00 179.24 180.30 3i8g h HIS 14 N -1.00 0.00 0.08 4.55 2.07 -1.99 -0.79 115.15 118.07 3i8g h HIS 14 Ca -0.08 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.44 3i8g h HIS 14 Cb 0.69 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.67 3i8g h HIS 14 CO 0.07 0.00 -0.04 1.25 -3.07 0.00 0.00 177.93 176.14 3i8g h LEU 15 N 0.00 -0.09 -0.95 6.12 7.12 -1.98 -3.05 115.31 122.48 3i8g h LEU 15 Ca 0.00 -0.21 0.14 0.00 0.13 0.00 0.00 57.88 57.94 3i8g h LEU 15 Cb 0.23 0.02 -0.09 0.00 -0.53 0.00 0.00 40.66 40.29 3i8g h LEU 15 CO 0.00 0.49 0.56 -0.07 -0.13 0.00 0.00 178.44 179.29 3i8g h LEU 16 N -1.00 0.77 -0.24 2.25 4.07 -1.44 0.28 115.31 120.00 3i8g h LEU 16 Ca -0.01 0.07 0.03 0.00 0.08 0.00 0.00 57.88 58.04 3i8g h LEU 16 Cb 0.30 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 41.92 3i8g h LEU 16 CO 0.02 0.37 -0.26 -0.08 -1.08 0.00 0.00 178.44 177.40 3i8g h GLU 17 N 0.83 -0.15 -0.98 1.13 4.81 -1.25 2.31 114.58 121.28 3i8g h GLU 17 Ca 0.50 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.87 3i8g h GLU 17 Cb 0.61 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.93 3i8g h GLU 17 CO -0.31 -0.10 0.62 -0.22 -0.73 0.00 0.00 179.01 178.27 3i8g h LYS 18 N -0.15 0.88 0.41 1.92 1.63 -1.11 -2.57 116.57 117.58 3i8g h LYS 18 Ca 0.04 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 3i8g h LYS 18 Cb 0.26 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 3i8g h LYS 18 CO -0.31 0.58 -0.20 0.28 -3.45 0.00 0.00 179.45 176.36 3i8g h VAL 19 N 0.91 0.58 0.09 2.00 2.07 0.32 -3.23 116.25 118.99 3i8g h VAL 19 Ca 0.50 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 3i8g h VAL 19 Cb 0.59 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3i8g h VAL 19 CO -0.27 0.06 -0.04 0.25 0.02 0.00 0.00 177.57 177.59 3i8g h LEU 20 N -0.75 -0.10 0.00 2.57 7.12 0.39 -2.26 115.31 122.28 3i8g h LEU 20 Ca -0.06 -0.21 0.00 0.00 0.13 0.00 0.00 57.88 57.75 3i8g h LEU 20 Cb 0.52 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.68 3i8g h LEU 20 CO 0.09 0.15 0.09 -1.84 -0.13 0.00 0.00 178.44 176.80 3i8g n GLU 21 N -5.03 0.00 -0.06 1.25 0.28 -0.99 0.15 120.64 116.24 3i8g n GLU 21 Ca -0.08 0.34 0.12 0.00 -0.16 0.00 0.00 57.16 57.38 3i8g n GLU 21 Cb 0.17 -1.59 0.37 0.00 1.43 0.00 0.00 31.44 31.82 3i8g n GLU 21 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3i8g n LEU 22 N -1.32 2.03 -0.03 -1.84 -0.00 -0.85 -3.91 117.00 111.07 3i8g n LEU 22 Ca 0.00 -0.78 -0.13 0.00 -0.00 0.00 0.00 56.01 55.10 3i8g n LEU 22 Cb 0.09 -0.08 -0.14 0.00 -0.00 0.00 0.00 43.42 43.29 3i8g n LEU 22 CO 0.00 0.39 -0.75 -3.20 -0.00 0.00 0.00 177.39 173.83 3i8g n ASN 23 N 0.57 1.17 -3.31 1.96 5.15 0.39 -3.13 115.26 118.06 3i8g n ASN 23 Ca 0.17 0.26 -0.08 0.00 -0.60 0.00 0.00 54.58 54.33 3i8g n ASN 23 Cb 0.41 -0.16 -0.08 0.00 -0.53 0.00 0.00 39.78 39.42 3i8g n ASN 23 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i8g n ALA 24 N -2.75 0.62 -0.43 5.20 0.00 -1.25 0.20 120.51 122.11 3i8g n ALA 24 Ca -0.25 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.47 3i8g n ALA 24 Cb 1.06 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.44 3i8g n ALA 24 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i8g n LYS 25 N 3.88 0.00 -1.05 0.00 5.02 -1.26 -4.49 118.16 120.27 3i8g n LYS 25 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 3i8g n LYS 25 Cb 0.26 -2.78 0.00 0.00 -0.02 0.00 0.00 35.03 32.49 3i8g n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8g n GLY 26 N -2.00 -2.48 0.00 0.72 0.00 0.54 -5.13 105.19 96.85 3i8g n GLY 26 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3i8g n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i8g n GLU 27 N 0.25 3.59 -0.98 1.61 4.71 -1.18 -5.04 120.64 123.60 3i8g n GLU 27 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.84 3i8g n GLU 27 Cb 0.00 0.00 0.26 0.00 -1.01 0.00 0.00 31.44 30.69 3i8g n GLU 27 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3i8g s LYS 28 N 1.84 -1.80 0.10 3.49 -0.14 -1.26 -5.05 119.74 116.92 3i8g s LYS 28 Ca 0.00 -0.18 0.06 0.00 -1.36 0.00 0.00 55.97 54.49 3i8g s LYS 28 Cb 0.00 -1.54 -0.03 0.00 -1.68 0.00 0.00 37.83 34.58 3i8g s LYS 28 CO 0.00 -4.07 -0.16 -0.98 -0.76 0.00 0.00 175.35 169.38 3i8g s ARG 29 N -5.48 0.99 0.00 1.68 1.70 -1.26 -5.04 118.95 111.54 3i8g s ARG 29 Ca 0.72 -1.14 0.00 0.00 -0.47 0.00 0.00 55.73 54.84 3i8g s ARG 29 Cb -0.08 -1.02 0.00 0.00 -0.57 0.00 0.00 34.95 33.28 3i8g s ARG 29 CO 0.56 0.22 0.00 -0.11 -1.08 0.00 0.00 175.30 174.89 3i8g n LEU 30 N 0.89 0.00 -3.71 -1.89 -0.00 -1.26 -5.05 117.00 105.98 3i8g n LEU 30 Ca -0.18 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.70 3i8g n LEU 30 Cb 0.55 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.84 3i8g n LEU 30 CO 0.24 0.00 -0.16 -0.51 -0.00 0.00 0.00 177.39 176.96 3i8g s ILE 31 N 0.00 -0.13 -0.68 1.96 2.07 -1.26 -5.06 121.20 118.09 3i8g s ILE 31 Ca 0.00 0.20 -0.10 0.00 -1.41 0.00 0.00 60.65 59.34 3i8g s ILE 31 Cb 0.00 -0.35 0.18 0.00 0.13 0.00 0.00 42.46 42.42 3i8g s ILE 31 CO 0.00 0.08 0.57 -0.54 -1.91 0.00 0.00 174.94 173.15 3i8g s LYS 32 N 1.56 3.04 0.35 3.50 1.02 -1.26 -0.81 119.74 127.13 3i8g s LYS 32 Ca -0.06 -2.33 -0.04 0.00 0.02 0.00 0.00 55.97 53.56 3i8g s LYS 32 Cb -0.11 -4.11 0.08 0.00 -0.52 0.00 0.00 37.83 33.17 3i8g s LYS 32 CO -0.08 -1.24 0.47 -2.37 -0.92 0.00 0.00 175.35 171.22 3i8g n THR 33 N 4.04 0.00 0.00 2.17 5.66 -1.15 -5.01 114.28 119.99 3i8g n THR 33 Ca 0.07 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 3i8g n THR 33 Cb 0.42 -1.58 0.00 0.00 -1.55 0.00 0.00 70.33 67.63 3i8g n THR 33 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 3i8g n TRP 34 N -2.44 0.00 -3.27 1.09 8.01 -1.26 -3.78 117.44 115.79 3i8g n TRP 34 Ca 0.07 0.00 -0.45 0.00 -1.31 0.00 0.00 57.50 55.81 3i8g n TRP 34 Cb 0.23 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.47 3i8g n TRP 34 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 3i8g s SER 35 N -0.28 6.18 0.07 -0.99 1.04 -1.26 -4.86 113.70 113.59 3i8g s SER 35 Ca 0.00 -1.42 0.18 0.00 0.48 0.00 0.00 55.95 55.19 3i8g s SER 35 Cb 0.00 -2.23 -0.13 0.00 0.10 0.00 0.00 66.02 63.76 3i8g s SER 35 CO 0.00 -0.85 0.81 -2.11 0.98 0.00 0.00 173.24 172.07 3i8g n ARG 36 N 5.60 0.62 -0.45 4.02 1.85 -1.26 -4.08 116.66 122.96 3i8g n ARG 36 Ca -0.11 0.19 0.41 0.00 -1.00 0.00 0.00 57.85 57.34 3i8g n ARG 36 Cb 0.43 -1.79 0.77 0.00 -1.05 0.00 0.00 32.46 30.82 3i8g n ARG 36 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i8g h ARG 37 N 0.00 0.00 -6.60 2.89 -0.00 -1.98 -3.00 114.38 105.68 3i8g h ARG 37 Ca -0.15 0.00 -0.59 0.00 -0.50 0.00 0.00 59.98 58.74 3i8g h ARG 37 Cb 1.52 0.00 0.10 0.00 0.00 0.00 0.00 29.97 31.60 3i8g h ARG 37 CO 0.04 0.00 0.38 -1.13 0.00 0.00 0.00 179.97 179.26 3i8g n SER 38 N -4.06 2.17 -2.50 7.04 3.41 -1.26 -4.73 113.62 113.69 3i8g n SER 38 Ca 0.32 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 60.11 3i8g n SER 38 Cb 1.52 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 3i8g n SER 38 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3i8g n THR 39 N 0.62 0.00 -3.77 6.66 -1.04 -1.26 -3.26 114.28 112.22 3i8g n THR 39 Ca 0.08 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.80 3i8g n THR 39 Cb 0.33 -1.11 -0.16 0.00 -1.82 0.00 0.00 70.33 67.57 3i8g n THR 39 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3i8g s ILE 40 N -0.95 0.82 0.62 12.58 2.07 -1.25 -4.68 121.20 130.41 3i8g s ILE 40 Ca 0.00 -0.93 -0.02 0.00 -1.41 0.00 0.00 60.65 58.29 3i8g s ILE 40 Cb 0.00 -1.36 0.05 0.00 0.13 0.00 0.00 42.46 41.27 3i8g s ILE 40 CO 0.00 -0.33 0.88 -0.69 -1.91 0.00 0.00 174.94 172.90 3i8g s VAL 41 N 1.70 2.52 0.00 4.00 1.01 -1.26 -4.34 120.40 124.02 3i8g s VAL 41 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3i8g s VAL 41 Cb -0.17 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.19 3i8g s VAL 41 CO -0.13 -0.01 0.00 -0.81 0.00 0.00 0.00 175.10 174.15 3i8g n PRO 42 N -2.61 0.00 0.00 2.72 -0.04 -1.26 -2.49 135.00 131.32 3i8g n PRO 42 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3i8g n PRO 42 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 3i8g n PRO 42 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3i8g n GLU 43 N 0.00 0.00 0.00 0.54 4.07 -1.26 1.03 120.64 125.02 3i8g n GLU 43 Ca 0.00 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.12 3i8g n GLU 43 Cb 0.00 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.45 3i8g n GLU 43 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i8g n MET 44 N 0.00 0.03 -1.11 5.31 0.00 -1.26 -4.68 117.12 115.41 3i8g n MET 44 Ca 0.00 0.32 -0.30 0.00 0.00 0.00 0.00 57.70 57.73 3i8g n MET 44 Cb 0.00 -1.50 0.15 0.00 0.00 0.00 0.00 33.22 31.87 3i8g n MET 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 3i8g s VAL 45 N -2.72 2.49 -1.32 3.17 -7.23 7.07 -3.38 120.40 118.47 3i8g s VAL 45 Ca 0.02 0.16 -0.10 0.00 -1.81 0.00 0.00 61.98 60.25 3i8g s VAL 45 Cb 0.02 -2.58 0.08 0.00 0.56 0.00 0.00 36.38 34.47 3i8g s VAL 45 CO 0.05 -0.21 0.53 0.61 -0.31 0.00 0.00 175.10 175.77 3i8g n GLY 46 N -0.86 -0.48 0.62 2.32 0.00 -0.80 -4.84 105.19 101.14 3i8g n GLY 46 Ca 0.07 0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 3i8g n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i8g n HIS 47 N -3.99 0.00 0.00 1.61 -0.00 -1.22 -4.93 115.22 106.70 3i8g n HIS 47 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3i8g n HIS 47 Cb 0.53 -0.36 0.00 0.00 -0.00 0.00 0.00 29.99 30.16 3i8g n HIS 47 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 3i8g n THR 48 N -3.70 0.00 -1.18 1.59 -2.24 -1.26 -4.59 114.28 102.91 3i8g n THR 48 Ca -0.18 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.31 3i8g n THR 48 Cb 0.50 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.93 3i8g n THR 48 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3i8g s ILE 49 N -1.27 1.86 -0.46 2.28 1.09 0.16 -4.28 121.20 120.58 3i8g s ILE 49 Ca 0.00 0.00 0.03 0.00 -1.10 0.00 0.00 60.65 59.58 3i8g s ILE 49 Cb 0.00 -2.52 0.15 0.00 -1.06 0.00 0.00 42.46 39.03 3i8g s ILE 49 CO 0.00 0.00 0.31 0.00 -0.10 0.00 0.00 174.94 175.15 3i8g s ALA 50 N -3.02 1.97 -0.38 9.38 0.00 0.01 0.52 121.76 130.23 3i8g s ALA 50 Ca 0.67 -2.63 -0.29 0.00 0.00 0.00 0.00 51.96 49.72 3i8g s ALA 50 Cb -0.15 -1.79 -0.00 0.00 0.00 0.00 0.00 23.12 21.18 3i8g s ALA 50 CO 0.57 -2.05 1.57 0.08 0.00 0.00 0.00 175.76 175.93 3i8g s VAL 51 N 0.08 3.72 0.34 0.00 1.01 -0.96 -2.95 120.40 121.64 3i8g s VAL 51 Ca 0.24 0.73 -0.29 0.00 0.00 0.00 0.00 61.98 62.66 3i8g s VAL 51 Cb -0.11 -3.98 -0.11 0.00 0.00 0.00 0.00 36.38 32.17 3i8g s VAL 51 CO -0.09 -0.63 1.54 0.00 0.00 0.00 0.00 175.10 175.91 3i8g n TYR 52 N 9.45 2.92 0.94 5.22 9.36 -1.25 -2.33 117.16 141.48 3i8g n TYR 52 Ca 0.19 0.36 0.11 0.00 3.32 0.00 0.00 57.90 61.88 3i8g n TYR 52 Cb 0.48 -2.56 0.07 0.00 -0.63 0.00 0.00 39.34 36.69 3i8g n TYR 52 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3i8g n ASN 53 N 1.27 2.65 0.00 2.98 0.23 -1.06 -4.89 115.26 116.44 3i8g n ASN 53 Ca 0.05 -1.82 0.00 0.00 -0.53 0.00 0.00 54.58 52.27 3i8g n ASN 53 Cb 0.38 0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 3i8g n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i8g n GLY 54 N 1.30 2.07 0.00 4.83 0.00 -1.26 -4.70 105.19 107.43 3i8g n GLY 54 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3i8g n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i8g n LYS 55 N -0.09 1.14 -3.69 1.61 4.81 -1.26 -5.11 118.16 115.57 3i8g n LYS 55 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 3i8g n LYS 55 Cb 0.00 -0.74 -0.09 0.00 0.02 0.00 0.00 35.03 34.22 3i8g n LYS 55 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 3i8g s GLN 56 N -1.49 0.62 -0.34 1.64 -2.07 -1.26 -5.11 119.66 111.64 3i8g s GLN 56 Ca 0.00 0.74 -0.28 0.00 -1.82 0.00 0.00 55.36 54.00 3i8g s GLN 56 Cb 0.00 0.30 -0.03 0.00 -1.09 0.00 0.00 33.01 32.19 3i8g s GLN 56 CO 0.00 -0.07 1.97 -1.01 -1.32 0.00 0.00 175.29 174.85 3i8g s HIS 57 N 0.28 1.56 -0.29 9.60 3.76 -1.26 -2.57 115.29 126.38 3i8g s HIS 57 Ca -0.00 0.70 -0.27 0.00 -0.15 0.00 0.00 55.06 55.34 3i8g s HIS 57 Cb -0.04 -4.02 0.01 0.00 1.11 0.00 0.00 32.58 29.64 3i8g s HIS 57 CO 0.01 -3.14 0.96 0.14 -0.85 0.00 0.00 174.74 171.85 3i8g s VAL 58 N 7.95 4.66 -0.29 -0.90 -7.23 -0.98 -4.88 120.40 118.73 3i8g s VAL 58 Ca 0.85 1.60 -0.28 0.00 -1.81 0.00 0.00 61.98 62.34 3i8g s VAL 58 Cb -0.24 -4.29 -0.03 0.00 0.56 0.00 0.00 36.38 32.39 3i8g s VAL 58 CO 0.32 -0.32 1.88 -2.16 -0.31 0.00 0.00 175.10 174.51 3i8g s PRO 59 N 3.28 3.34 -0.27 4.82 0.04 -1.26 -2.26 135.00 142.68 3i8g s PRO 59 Ca 0.40 1.60 -0.01 0.00 0.04 0.00 0.00 61.00 63.03 3i8g s PRO 59 Cb -0.14 -4.22 0.04 0.00 0.04 0.00 0.00 34.50 30.22 3i8g s PRO 59 CO 0.12 -1.85 -0.04 0.54 0.04 0.00 0.00 177.00 175.81 3i8g s VAL 60 N 7.03 2.89 0.87 -0.36 0.11 0.19 -4.98 120.40 126.15 3i8g s VAL 60 Ca 0.84 -1.23 -0.11 0.00 -2.93 0.00 0.00 61.98 58.55 3i8g s VAL 60 Cb -0.25 -2.57 0.12 0.00 -1.53 0.00 0.00 36.38 32.14 3i8g s VAL 60 CO 0.34 0.04 1.09 -0.47 -3.33 0.00 0.00 175.10 172.77 3i8g s TYR 61 N 1.28 2.34 -0.05 1.54 5.04 -1.26 -0.67 117.35 125.57 3i8g s TYR 61 Ca -0.03 1.34 0.00 0.00 -2.44 0.00 0.00 57.07 55.94 3i8g s TYR 61 Cb -0.18 -3.14 0.02 0.00 0.35 0.00 0.00 41.96 39.01 3i8g s TYR 61 CO -0.03 -2.30 -0.03 -1.50 -1.34 0.00 0.00 175.55 170.36 3i8g s ILE 62 N -2.91 0.49 0.07 3.14 1.10 -1.26 -4.79 121.20 117.04 3i8g s ILE 62 Ca 0.63 -0.05 0.08 0.00 -0.51 0.00 0.00 60.65 60.81 3i8g s ILE 62 Cb -0.18 -0.56 -0.04 0.00 0.15 0.00 0.00 42.46 41.84 3i8g s ILE 62 CO 0.57 0.24 -0.19 0.28 -2.11 0.00 0.00 174.94 173.72 3i8g s THR 63 N 1.25 2.72 0.27 4.00 -1.32 -1.26 -1.90 115.64 119.40 3i8g s THR 63 Ca -0.06 -1.36 0.04 0.00 -1.21 0.00 0.00 61.69 59.11 3i8g s THR 63 Cb -0.14 -2.18 0.35 0.00 -1.51 0.00 0.00 72.50 69.02 3i8g s THR 63 CO -0.02 0.24 1.34 -1.84 -2.21 0.00 0.00 174.62 172.13 3i8g n GLU 64 N 1.25 -0.07 -0.30 7.08 0.28 -1.26 -0.67 120.64 126.96 3i8g n GLU 64 Ca -0.16 1.26 0.05 0.00 -0.16 0.00 0.00 57.16 58.15 3i8g n GLU 64 Cb 0.52 -2.05 0.25 0.00 1.43 0.00 0.00 31.44 31.60 3i8g n GLU 64 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 3i8g h ASN 65 N 0.00 0.88 0.00 -1.84 4.21 -2.01 -2.69 115.58 114.12 3i8g h ASN 65 Ca 0.55 0.01 0.00 0.00 1.21 0.00 0.00 56.30 58.07 3i8g h ASN 65 Cb 1.21 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 38.23 3i8g h ASN 65 CO -0.78 0.55 0.04 0.23 -1.29 0.00 0.00 177.43 176.18 3i8g n MET 66 N -4.50 0.00 -0.05 0.81 2.81 0.15 -3.94 117.12 112.39 3i8g n MET 66 Ca 0.14 0.27 -0.08 0.00 -1.81 0.00 0.00 57.70 56.22 3i8g n MET 66 Cb 0.23 -1.54 -0.06 0.00 -0.71 0.00 0.00 33.22 31.14 3i8g n MET 66 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3i8g h VAL 67 N 0.00 0.00 0.00 2.03 2.07 -1.65 -1.02 116.25 117.68 3i8g h VAL 67 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3i8g h VAL 67 Cb 0.08 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 3i8g h VAL 67 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 3i8g n GLY 68 N -1.22 0.67 2.96 2.17 0.00 -1.25 -3.89 105.19 104.62 3i8g n GLY 68 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 3i8g n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i8g s HIS 69 N -0.48 1.01 0.00 1.61 3.76 -0.39 -5.07 115.29 115.73 3i8g s HIS 69 Ca 0.00 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.59 3i8g s HIS 69 Cb 0.00 -0.80 0.00 0.00 1.11 0.00 0.00 32.58 32.89 3i8g s HIS 69 CO 0.00 -0.20 0.00 1.63 -0.85 0.00 0.00 174.74 175.32 3i8g n LYS 70 N 3.82 -1.56 -0.07 1.40 4.76 -1.26 -4.02 118.16 121.23 3i8g n LYS 70 Ca -0.23 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.16 3i8g n LYS 70 Cb 0.52 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.69 3i8g n LYS 70 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3i8g h LEU 71 N 0.00 0.00 -0.29 -0.35 3.38 -1.50 -3.37 115.31 113.18 3i8g h LEU 71 Ca 0.00 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3i8g h LEU 71 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i8g h LEU 71 CO 0.00 0.75 0.97 1.23 0.09 0.00 0.00 178.44 181.48 3i8g h GLY 72 N -1.00 0.00 2.00 0.83 0.00 -1.89 1.46 103.07 104.48 3i8g h GLY 72 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3i8g h GLY 72 CO -0.01 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.36 3i8g h GLU 73 N 0.00 0.00 -0.09 4.80 5.08 -1.93 -2.45 114.58 119.99 3i8g h GLU 73 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3i8g h GLU 73 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 3i8g h GLU 73 CO -0.00 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.20 3i8g n PHE 74 N -2.32 0.11 -3.87 4.33 3.72 0.50 -4.73 117.46 115.20 3i8g n PHE 74 Ca 0.01 -0.20 -0.29 0.00 -0.05 0.00 0.00 57.45 56.92 3i8g n PHE 74 Cb 0.20 -0.01 -0.11 0.00 -0.94 0.00 0.00 39.48 38.61 3i8g n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i8g s ALA 75 N -0.74 3.88 -0.74 4.37 0.00 -0.92 -4.94 121.76 122.67 3i8g s ALA 75 Ca 0.10 -3.84 -0.27 0.00 0.00 0.00 0.00 51.96 47.96 3i8g s ALA 75 Cb 0.06 -2.25 0.02 0.00 0.00 0.00 0.00 23.12 20.95 3i8g s ALA 75 CO 0.09 -2.10 1.41 -1.25 0.00 0.00 0.00 175.76 173.90 3i8g s PRO 76 N -1.44 3.10 0.00 0.00 0.04 -1.26 -4.81 135.00 130.63 3i8g s PRO 76 Ca 0.25 -0.14 0.27 0.00 0.04 0.00 0.00 61.00 61.43 3i8g s PRO 76 Cb -0.05 -4.31 1.39 0.00 0.04 0.00 0.00 34.50 31.58 3i8g s PRO 76 CO -0.16 -2.28 1.93 0.25 0.04 0.00 0.00 177.00 176.78 3i8g n THR 77 N 6.59 0.02 0.03 1.26 -2.24 -1.26 -4.41 114.28 114.26 3i8g n THR 77 Ca 0.09 -0.12 -0.08 0.00 -2.27 0.00 0.00 64.05 61.67 3i8g n THR 77 Cb 0.50 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 3i8g n THR 77 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 3i8g h ARG 78 N 0.97 -0.33 -5.33 -0.78 0.11 -1.93 -3.49 114.38 103.60 3i8g h ARG 78 Ca 0.00 0.02 -0.02 0.00 0.10 0.00 0.00 59.98 60.09 3i8g h ARG 78 Cb 0.21 0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.36 3i8g h ARG 78 CO 0.00 -0.22 -0.87 0.25 0.10 0.00 0.00 179.97 179.23 3i8g n THR 79 N -4.03-10.72 0.04 0.08 -2.24 -1.26 -5.04 114.28 91.11 3i8g n THR 79 Ca -0.04 1.42 0.00 0.00 -2.27 0.00 0.00 64.05 63.16 3i8g n THR 79 Cb 0.20 -6.61 0.00 0.00 -2.10 0.00 0.00 70.33 61.83 3i8g n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8g n TYR 80 N 0.44 -0.11 0.00 4.78 9.36 -1.26 -5.06 117.16 125.30 3i8g n TYR 80 Ca 0.03 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.27 3i8g n TYR 80 Cb 0.20 0.04 0.00 0.00 -0.63 0.00 0.00 39.34 38.94 3i8g n TYR 80 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 3i8g n ARG 81 N -3.18 0.00 0.00 2.98 3.00 -1.26 -4.51 116.66 113.69 3i8g n ARG 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i8g n ARG 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i8g n ARG 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i8g n GLY 82 N 0.00 -0.72 3.31 5.14 0.00 -1.26 -5.09 105.19 106.56 3i8g n GLY 82 Ca 0.00 0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 3i8g n GLY 82 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i8g n HIS 83 N 0.00 -2.31 0.00 1.61 1.44 -1.26 -1.96 115.22 112.74 3i8g n HIS 83 Ca 0.00 0.33 0.00 0.00 -2.01 0.00 0.00 57.72 56.04 3i8g n HIS 83 Cb 0.00 -1.75 0.00 0.00 0.12 0.00 0.00 29.99 28.36 3i8g n HIS 83 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3i8g n GLY 84 N 2.29 2.49 2.36 -1.39 0.00 -1.26 -4.83 105.19 104.85 3i8g n GLY 84 Ca 0.07 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 3i8g n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i8g n LYS 85 N 0.00 3.32 0.00 1.61 5.02 -0.83 -5.34 118.16 121.95 3i8g n LYS 85 Ca 0.00 -2.45 0.00 0.00 -2.02 0.00 0.00 58.31 53.84 3i8g n LYS 85 Cb 0.00 -2.41 0.00 0.00 -0.02 0.00 0.00 35.03 32.60 3i8g n LYS 85 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27