#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8u s TYR 4 N 0.00 1.81 0.53 5.64 2.02 0.41 -4.93 117.35 122.82 1n8u s TYR 4 Ca 0.00 1.70 -0.22 0.00 -0.37 0.00 0.00 57.07 58.18 1n8u s TYR 4 Cb 0.00 -3.41 -0.05 0.00 -0.40 0.00 0.00 41.96 38.10 1n8u s TYR 4 CO 0.00 -2.75 1.31 -0.08 -1.57 0.00 0.00 175.55 172.47 1n8u s THR 5 N -2.34 2.31 -1.97 -0.71 -1.32 -1.26 -4.79 115.64 105.56 1n8u s THR 5 Ca 0.70 0.23 0.21 0.00 -1.21 0.00 0.00 61.69 61.62 1n8u s THR 5 Cb -0.26 -3.12 0.53 0.00 -1.51 0.00 0.00 72.50 68.14 1n8u s THR 5 CO 0.53 -0.00 1.45 -0.90 -2.21 0.00 0.00 174.62 173.48 1n8u n ASP 6 N -0.91 3.65 0.29 8.08 5.68 -1.26 -4.64 116.55 127.44 1n8u n ASP 6 Ca 0.10 -1.99 0.16 0.00 -0.50 0.00 0.00 54.79 52.57 1n8u n ASP 6 Cb 0.46 -0.38 0.89 0.00 -1.14 0.00 0.00 41.12 40.95 1n8u n ASP 6 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1n8u h LYS 7 N 4.03 0.00 -0.64 0.11 2.10 -2.03 -0.56 116.57 119.58 1n8u h LYS 7 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1n8u h LYS 7 Cb 0.95 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 1n8u h LYS 7 CO 0.00 0.05 0.00 0.66 -2.00 0.00 0.00 179.45 178.16 1n8u n TYR 8 N -3.46 0.93 0.31 0.07 4.01 -1.26 -4.68 117.16 113.07 1n8u n TYR 8 Ca -0.02 -0.52 0.13 0.00 -0.16 0.00 0.00 57.90 57.33 1n8u n TYR 8 Cb 0.17 -0.04 0.60 0.00 -0.31 0.00 0.00 39.34 39.76 1n8u n TYR 8 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1n8u h ASP 9 N 3.74 0.00 -0.19 7.72 5.19 -1.42 -1.46 116.42 130.00 1n8u h ASP 9 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1n8u h ASP 9 Cb 0.99 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.50 1n8u h ASP 9 CO 0.03 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.74 1n8u n ASN 10 N -2.41 1.80 -4.50 6.45 5.03 -1.26 -4.96 115.26 115.41 1n8u n ASN 10 Ca 0.00 -1.75 -0.44 0.00 0.87 0.00 0.00 54.58 53.27 1n8u n ASN 10 Cb 0.17 -0.12 -0.01 0.00 -1.02 0.00 0.00 39.78 38.80 1n8u n ASN 10 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1n8u n ILE 11 N 0.42 1.93 -2.68 2.41 3.06 -0.55 -4.85 119.36 119.09 1n8u n ILE 11 Ca 0.16 -0.50 -0.42 0.00 -2.50 0.00 0.00 62.75 59.49 1n8u n ILE 11 Cb 0.35 -0.65 -0.03 0.00 0.54 0.00 0.00 39.64 39.85 1n8u n ILE 11 CO 0.00 0.00 0.00 0.21 -2.50 0.00 0.00 176.55 174.26 1n8u s ASN 12 N -0.80 6.42 0.22 9.51 3.84 -1.26 -4.85 114.94 128.01 1n8u s ASN 12 Ca 0.62 -1.34 -0.00 0.00 0.21 0.00 0.00 52.86 52.34 1n8u s ASN 12 Cb -0.69 -2.51 0.20 0.00 -0.55 0.00 0.00 41.25 37.69 1n8u s ASN 12 CO 0.58 -1.46 1.56 -0.07 -2.79 0.00 0.00 177.10 174.92 1n8u h LEU 13 N 12.10 0.51 -0.80 3.21 3.38 -1.98 -3.04 115.31 128.71 1n8u h LEU 13 Ca 0.04 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.77 1n8u h LEU 13 Cb 1.03 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1n8u h LEU 13 CO 1.29 0.93 0.52 0.44 0.09 0.00 0.00 178.44 181.72 1n8u h ASP 14 N 0.37 0.88 -0.28 -0.43 3.32 -1.99 0.05 116.42 118.34 1n8u h ASP 14 Ca 0.01 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1n8u h ASP 14 Cb 1.02 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1n8u h ASP 14 CO 0.09 0.63 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.70 1n8u h GLU 15 N 1.04 0.75 -0.52 3.56 3.07 -1.97 -0.87 114.58 119.64 1n8u h GLU 15 Ca 0.30 -0.29 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 1n8u h GLU 15 Cb -0.07 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 1n8u h GLU 15 CO -0.08 0.90 0.20 0.82 -1.40 0.00 0.00 179.01 179.44 1n8u h ILE 16 N 0.66 1.22 0.00 3.13 2.04 -1.21 -2.43 117.51 120.92 1n8u h ILE 16 Ca 0.09 -0.70 -0.07 0.00 1.00 0.00 0.00 64.86 65.19 1n8u h ILE 16 Cb 0.71 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1n8u h ILE 16 CO 0.05 0.26 -0.33 -0.07 0.00 0.00 0.00 178.15 178.07 1n8u h LEU 17 N 0.71 0.00 0.00 1.44 3.38 -0.77 -3.05 115.31 117.02 1n8u h LEU 17 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1n8u h LEU 17 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1n8u h LEU 17 CO -0.01 0.33 -0.32 0.00 0.09 0.00 0.00 178.44 178.53 1n8u n ALA 18 N -2.30 2.65 -3.96 1.53 0.00 -0.35 -4.74 120.51 113.34 1n8u n ALA 18 Ca -0.01 -0.15 -0.31 0.00 0.00 0.00 0.00 53.44 52.98 1n8u n ALA 18 Cb 0.46 -1.31 -0.15 0.00 0.00 0.00 0.00 19.45 18.44 1n8u n ALA 18 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1n8u s ASN 19 N -4.20 4.44 0.37 0.00 0.01 -0.94 -5.01 114.94 109.60 1n8u s ASN 19 Ca 0.09 -1.79 0.10 0.00 -0.71 0.00 0.00 52.86 50.55 1n8u s ASN 19 Cb 0.14 -1.41 0.85 0.00 0.41 0.00 0.00 41.25 41.23 1n8u s ASN 19 CO 0.66 -0.33 1.89 0.50 -1.51 0.00 0.00 177.10 178.31 1n8u h LYS 20 N 7.78 0.63 -0.77 -0.60 1.63 -1.85 -1.61 116.57 121.78 1n8u h LYS 20 Ca -0.10 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.63 1n8u h LYS 20 Cb 1.03 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 32.48 1n8u h LYS 20 CO 0.48 0.42 0.38 0.07 -3.45 0.00 0.00 179.45 177.35 1n8u h ARG 21 N 0.65 1.10 0.10 1.90 -0.00 -1.95 -0.41 114.38 115.78 1n8u h ARG 21 Ca 0.41 -0.16 -0.00 0.00 -0.00 0.00 0.00 59.98 60.23 1n8u h ARG 21 Cb 0.67 -0.20 0.00 0.00 -0.00 0.00 0.00 29.97 30.44 1n8u h ARG 21 CO -0.17 0.85 -0.05 -0.07 -0.00 0.00 0.00 179.97 180.53 1n8u h LEU 22 N 1.08 -0.11 -0.64 0.08 4.07 -1.61 -2.62 115.31 115.55 1n8u h LEU 22 Ca 0.26 -0.27 0.05 0.00 0.08 0.00 0.00 57.88 58.00 1n8u h LEU 22 Cb 0.10 0.03 -0.05 0.00 1.08 0.00 0.00 40.66 41.83 1n8u h LEU 22 CO -0.03 0.22 0.37 0.25 -1.08 0.00 0.00 178.44 178.16 1n8u h LEU 23 N -0.46 0.57 -1.11 1.67 5.85 -1.22 -2.45 115.31 118.16 1n8u h LEU 23 Ca -0.01 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1n8u h LEU 23 Cb 0.38 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1n8u h LEU 23 CO 0.02 0.38 -0.42 0.58 -0.34 0.00 0.00 178.44 178.66 1n8u h VAL 24 N 0.71 1.20 -0.44 1.05 2.07 -1.11 -1.82 116.25 117.91 1n8u h VAL 24 Ca 0.28 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1n8u h VAL 24 Cb 0.12 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1n8u h VAL 24 CO -0.15 0.41 0.28 0.00 0.02 0.00 0.00 177.57 178.14 1n8u h ALA 25 N 1.58 0.55 -0.58 1.67 0.00 -1.04 0.13 119.26 121.57 1n8u h ALA 25 Ca -0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1n8u h ALA 25 Cb 0.80 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1n8u h ALA 25 CO 0.05 0.02 0.02 1.88 0.00 0.00 0.00 179.25 181.22 1n8u h TYR 26 N 0.59 1.09 -0.16 0.00 0.05 -1.27 -1.61 116.97 115.65 1n8u h TYR 26 Ca 0.16 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1n8u h TYR 26 Cb -0.05 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.40 1n8u h TYR 26 CO -0.04 0.97 0.11 0.28 -1.05 0.00 0.00 178.16 178.42 1n8u h VAL 27 N 0.89 1.04 -0.72 -2.88 2.07 -1.07 -1.82 116.25 113.76 1n8u h VAL 27 Ca 0.17 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1n8u h VAL 27 Cb 0.52 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1n8u h VAL 27 CO 0.02 0.04 0.31 0.78 0.02 0.00 0.00 177.57 178.75 1n8u h ASN 28 N 0.22 0.95 -0.01 0.57 -0.26 -0.67 0.08 115.58 116.46 1n8u h ASN 28 Ca 0.06 -0.12 0.02 0.00 -0.56 0.00 0.00 56.30 55.70 1n8u h ASN 28 Cb -0.02 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 36.96 1n8u h ASN 28 CO -0.01 0.83 -0.13 0.00 -1.06 0.00 0.00 177.43 177.06 1n8u h VAL 30 N -0.22 1.22 -0.15 0.00 2.07 -1.02 -2.35 116.25 115.80 1n8u h VAL 30 Ca 0.05 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.67 1n8u h VAL 30 Cb 0.28 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1n8u h VAL 30 CO -0.14 0.51 0.00 0.23 0.02 0.00 0.00 177.57 178.20 1n8u n MET 31 N -3.68 1.70 -3.44 1.57 2.00 -0.01 -4.95 117.12 110.30 1n8u n MET 31 Ca -0.01 -1.04 -0.19 0.00 0.00 0.00 0.00 57.70 56.46 1n8u n MET 31 Cb 0.58 -1.40 0.08 0.00 0.00 0.00 0.00 33.22 32.48 1n8u n MET 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1n8u n GLU 32 N 0.27 -6.87 -1.93 0.03 1.02 -0.59 -4.93 120.64 107.64 1n8u n GLU 32 Ca 0.16 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 58.08 1n8u n GLU 32 Cb 0.32 -5.62 0.05 0.00 -0.02 0.00 0.00 31.44 26.17 1n8u n GLU 32 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1n8u n ARG 33 N -4.35 1.08 0.00 3.49 1.85 -0.10 -5.05 116.66 113.58 1n8u n ARG 33 Ca -0.11 -2.85 0.00 0.00 -1.00 0.00 0.00 57.85 53.89 1n8u n ARG 33 Cb 0.60 -0.93 0.00 0.00 -1.05 0.00 0.00 32.46 31.08 1n8u n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1n8u n GLY 34 N -0.16 1.04 3.83 2.89 0.00 -1.19 -4.85 105.19 106.75 1n8u n GLY 34 Ca 0.11 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 1n8u n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n8u s LYS 35 N -2.00 3.42 -0.13 1.61 1.02 -1.26 -4.23 119.74 118.17 1n8u s LYS 35 Ca 0.00 0.98 -0.03 0.00 0.02 0.00 0.00 55.97 56.94 1n8u s LYS 35 Cb 0.00 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.22 1n8u s LYS 35 CO 0.00 -0.72 -0.02 0.00 -0.92 0.00 0.00 175.35 173.69 1n8u s SER 37 N -0.17 3.76 0.21 0.00 1.04 -1.26 -4.75 113.70 112.52 1n8u s SER 37 Ca 0.04 1.48 -0.09 0.00 0.48 0.00 0.00 55.95 57.85 1n8u s SER 37 Cb -0.13 -2.17 0.29 0.00 0.10 0.00 0.00 66.02 64.11 1n8u s SER 37 CO 0.02 -2.46 1.73 -0.65 0.98 0.00 0.00 173.24 172.87 1n8u h PRO 38 N -1.42 0.36 -0.39 4.02 0.11 -1.99 -0.28 132.00 132.41 1n8u h PRO 38 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1n8u h PRO 38 Cb 1.28 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1n8u h PRO 38 CO 0.55 0.24 0.19 0.93 -0.21 0.00 0.00 178.00 179.71 1n8u h GLU 39 N 0.37 0.55 -0.79 1.05 3.07 -2.00 -2.15 114.58 114.68 1n8u h GLU 39 Ca 0.31 -0.08 0.02 0.00 -0.50 0.00 0.00 59.36 59.11 1n8u h GLU 39 Cb 0.40 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.17 1n8u h GLU 39 CO -0.33 0.48 0.52 0.78 -1.40 0.00 0.00 179.01 179.06 1n8u h GLY 40 N 0.49 1.13 1.00 -3.84 0.00 -1.81 -1.27 103.07 98.76 1n8u h GLY 40 Ca 0.13 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1n8u h GLY 40 CO -0.02 0.38 0.36 1.70 0.00 0.00 0.00 176.54 178.96 1n8u h LYS 41 N 1.04 0.84 -0.54 4.80 3.64 -0.89 0.46 116.57 125.92 1n8u h LYS 41 Ca 0.30 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1n8u h LYS 41 Cb -0.08 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 1n8u h LYS 41 CO -0.08 0.62 0.02 1.49 -2.27 0.00 0.00 179.45 179.23 1n8u h GLU 42 N 0.83 0.91 -0.06 1.90 4.57 -0.94 -1.66 114.58 120.13 1n8u h GLU 42 Ca 0.22 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1n8u h GLU 42 Cb 0.01 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1n8u h GLU 42 CO -0.04 0.89 0.02 1.25 -1.18 0.00 0.00 179.01 179.95 1n8u h LEU 43 N 0.85 0.09 -1.22 1.64 5.85 -0.84 -3.03 115.31 118.66 1n8u h LEU 43 Ca 0.16 -0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.77 1n8u h LEU 43 Cb 0.47 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 1n8u h LEU 43 CO 0.02 0.28 0.57 0.50 -0.34 0.00 0.00 178.44 179.47 1n8u h LYS 44 N -0.09 0.82 0.00 1.25 3.64 -0.63 -0.91 116.57 120.65 1n8u h LYS 44 Ca 0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1n8u h LYS 44 Cb 0.22 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1n8u h LYS 44 CO -0.00 0.55 0.00 0.39 -2.27 0.00 0.00 179.45 178.11 1n8u n GLU 45 N -4.53 0.06 0.00 1.90 1.02 -0.65 -3.71 120.64 114.73 1n8u n GLU 45 Ca 0.15 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1n8u n GLU 45 Cb 0.33 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1n8u n GLU 45 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1n8u n HIS 46 N -1.69 0.00 -0.07 -0.32 8.25 -0.79 -4.81 115.22 115.79 1n8u n HIS 46 Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 1n8u n HIS 46 Cb 0.35 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.41 1n8u n HIS 46 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1n8u h LEU 47 N 0.00 0.39 -0.51 2.41 5.85 -1.27 -1.50 115.31 120.67 1n8u h LEU 47 Ca 0.00 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1n8u h LEU 47 Cb 0.04 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1n8u h LEU 47 CO 0.00 0.64 0.32 -0.61 -0.34 0.00 0.00 178.44 178.45 1n8u h GLN 48 N 0.13 0.69 -0.29 1.25 5.75 -1.86 -1.68 115.11 119.09 1n8u h GLN 48 Ca 0.06 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1n8u h GLN 48 Cb 0.46 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.82 1n8u h GLN 48 CO 0.02 0.48 0.05 0.22 -2.65 0.00 0.00 178.83 176.95 1n8u h ASP 49 N 0.69 -0.01 -0.88 -0.69 3.58 -1.84 -1.26 116.42 116.00 1n8u h ASP 49 Ca 0.18 0.05 0.05 0.00 0.42 0.00 0.00 57.03 57.74 1n8u h ASP 49 Cb -0.04 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.03 1n8u h ASP 49 CO -0.04 0.03 0.58 0.00 -2.88 0.00 0.00 179.24 176.93 1n8u h ALA 50 N 1.22 1.50 -0.35 -0.78 0.00 -1.01 -1.14 119.26 118.70 1n8u h ALA 50 Ca 0.14 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1n8u h ALA 50 Cb 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1n8u h ALA 50 CO -0.19 0.39 -0.15 0.82 0.00 0.00 0.00 179.25 180.12 1n8u h ILE 51 N 1.04 1.25 0.00 0.00 1.08 -0.69 -0.33 117.51 119.86 1n8u h ILE 51 Ca 0.37 -1.16 -0.06 0.00 -0.39 0.00 0.00 64.86 63.61 1n8u h ILE 51 Cb 0.13 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 1n8u h ILE 51 CO -0.13 0.39 -0.29 -0.33 -0.69 0.00 0.00 178.15 177.10 1n8u h GLU 52 N 0.57 0.00 0.00 2.37 4.39 -0.08 -3.28 114.58 118.55 1n8u h GLU 52 Ca 0.10 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1n8u h GLU 52 Cb 0.59 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1n8u h GLU 52 CO 0.04 0.29 -0.19 0.27 -1.16 0.00 0.00 179.01 178.25 1n8u n ASN 53 N -3.38 1.53 -3.50 1.42 0.23 -0.70 -5.02 115.26 105.84 1n8u n ASN 53 Ca 0.00 -2.73 -0.24 0.00 -0.53 0.00 0.00 54.58 51.09 1n8u n ASN 53 Cb 0.50 -0.35 0.06 0.00 -2.08 0.00 0.00 39.78 37.91 1n8u n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n8u n GLY 54 N -0.92 -0.54 2.27 4.83 0.00 -0.33 -2.52 105.19 107.97 1n8u n GLY 54 Ca 0.11 0.22 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 1n8u n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8u h LYS 56 N 0.00 0.41 -0.41 0.00 3.64 -1.77 -1.12 116.57 117.32 1n8u h LYS 56 Ca -0.34 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1n8u h LYS 56 Cb 1.25 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1n8u h LYS 56 CO 0.40 0.27 0.00 1.63 -2.27 0.00 0.00 179.45 179.48 1n8u n LYS 57 N -4.47 2.49 -2.72 1.90 5.02 -1.26 -4.98 118.16 114.14 1n8u n LYS 57 Ca 0.10 -2.29 -0.36 0.00 -2.02 0.00 0.00 58.31 53.73 1n8u n LYS 57 Cb 0.37 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 1n8u n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n8u s THR 59 N -1.71 2.68 0.26 0.00 -4.23 -1.26 -4.85 115.64 106.52 1n8u s THR 59 Ca 0.54 0.22 -0.05 0.00 -1.18 0.00 0.00 61.69 61.22 1n8u s THR 59 Cb -0.18 -2.95 0.23 0.00 1.34 0.00 0.00 72.50 70.94 1n8u s THR 59 CO 0.23 -0.29 1.90 -0.33 -0.54 0.00 0.00 174.62 175.60 1n8u h GLU 60 N -1.26 1.18 -0.46 3.99 5.08 -1.98 -1.84 114.58 119.29 1n8u h GLU 60 Ca -0.48 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 57.70 1n8u h GLU 60 Cb 1.29 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1n8u h GLU 60 CO 0.60 0.84 0.04 -0.91 -1.00 0.00 0.00 179.01 178.58 1n8u h ASN 61 N 1.20 0.69 -0.34 1.42 2.35 -1.95 -1.54 115.58 117.40 1n8u h ASN 61 Ca 0.31 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.80 1n8u h ASN 61 Cb -0.03 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1n8u h ASN 61 CO -0.06 0.73 -0.20 1.56 -1.65 0.00 0.00 177.43 177.82 1n8u h GLN 62 N 0.69 0.82 -0.39 0.81 4.20 -1.73 -0.09 115.11 119.42 1n8u h GLN 62 Ca 0.15 -0.32 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 1n8u h GLN 62 Cb 0.36 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1n8u h GLN 62 CO 0.01 0.95 0.03 0.93 -0.67 0.00 0.00 178.83 180.07 1n8u h GLU 63 N 0.72 0.67 -0.48 1.46 5.08 -1.06 0.13 114.58 121.10 1n8u h GLU 63 Ca 0.10 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1n8u h GLU 63 Cb 0.71 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1n8u h GLU 63 CO 0.05 0.74 0.11 -0.22 -1.00 0.00 0.00 179.01 178.70 1n8u h LYS 64 N 0.50 0.76 -0.59 2.33 3.64 -1.19 -2.26 116.57 119.76 1n8u h LYS 64 Ca 0.11 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 1n8u h LYS 64 Cb 0.42 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1n8u h LYS 64 CO 0.01 0.75 0.10 0.78 -2.27 0.00 0.00 179.45 178.83 1n8u h GLY 65 N 0.64 1.05 1.00 5.01 0.00 -0.86 -1.95 103.07 107.96 1n8u h GLY 65 Ca 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1n8u h GLY 65 CO 0.00 0.65 0.32 0.00 0.00 0.00 0.00 176.54 177.51 1n8u h ALA 66 N 1.02 0.63 -0.58 3.60 0.00 -0.42 -1.62 119.26 121.89 1n8u h ALA 66 Ca 0.18 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1n8u h ALA 66 Cb 0.41 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1n8u h ALA 66 CO 0.01 0.10 0.13 -0.92 0.00 0.00 0.00 179.25 178.57 1n8u h TYR 67 N 0.67 0.98 -0.17 0.00 3.20 -1.25 0.70 116.97 121.09 1n8u h TYR 67 Ca 0.18 -0.12 0.03 0.00 3.14 0.00 0.00 58.73 61.96 1n8u h TYR 67 Cb -0.05 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 37.91 1n8u h TYR 67 CO -0.04 0.84 -0.02 -0.09 -1.64 0.00 0.00 178.16 177.22 1n8u h ARG 68 N 0.83 0.03 -0.34 1.82 9.65 -1.10 0.10 114.38 125.37 1n8u h ARG 68 Ca 0.18 -0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.96 1n8u h ARG 68 Cb 0.36 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.92 1n8u h ARG 68 CO 0.00 0.02 -0.17 0.28 2.80 0.00 0.00 179.97 182.90 1n8u h VAL 69 N 0.03 1.29 -0.40 0.20 2.07 -1.06 -2.43 116.25 115.95 1n8u h VAL 69 Ca 0.08 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.27 1n8u h VAL 69 Cb 0.11 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1n8u h VAL 69 CO -0.15 0.42 0.08 0.40 0.02 0.00 0.00 177.57 178.34 1n8u h ILE 70 N 0.49 1.23 -0.79 4.57 2.04 -0.72 -1.43 117.51 122.91 1n8u h ILE 70 Ca 0.07 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 1n8u h ILE 70 Cb 0.71 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1n8u h ILE 70 CO 0.05 0.28 0.46 -0.08 0.00 0.00 0.00 178.15 178.86 1n8u h GLU 71 N 0.50 1.08 -0.58 2.37 4.81 -0.99 -0.63 114.58 121.15 1n8u h GLU 71 Ca 0.12 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1n8u h GLU 71 Cb 0.33 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1n8u h GLU 71 CO 0.00 0.78 0.23 1.25 -0.73 0.00 0.00 179.01 180.54 1n8u h HIS 72 N 1.10 0.88 -0.37 0.92 2.76 -1.20 -1.85 115.15 117.38 1n8u h HIS 72 Ca 0.28 -0.07 -0.12 0.00 -2.20 0.00 0.00 60.37 58.27 1n8u h HIS 72 Cb -0.01 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.67 1n8u h HIS 72 CO 0.01 0.71 -0.25 -0.07 -1.30 0.00 0.00 177.93 177.03 1n8u h LEU 73 N 0.80 0.77 -0.61 0.26 3.38 -0.67 0.47 115.31 119.70 1n8u h LEU 73 Ca 0.19 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1n8u h LEU 73 Cb 0.20 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1n8u h LEU 73 CO -0.02 0.99 -0.15 0.40 0.09 0.00 0.00 178.44 179.75 1n8u h ILE 74 N 0.65 1.27 0.25 1.22 2.04 -0.96 -0.97 117.51 121.01 1n8u h ILE 74 Ca 0.09 -1.29 -0.34 0.00 1.00 0.00 0.00 64.86 64.32 1n8u h ILE 74 Cb 0.76 1.04 0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1n8u h ILE 74 CO 0.06 0.45 -1.52 0.11 0.00 0.00 0.00 178.15 177.25 1n8u h LYS 75 N 0.83 0.53 0.00 2.37 1.57 -1.19 -3.39 116.57 117.29 1n8u h LYS 75 Ca 0.12 -0.90 0.00 0.00 -1.87 0.00 0.00 60.65 58.01 1n8u h LYS 75 Cb 0.70 0.33 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1n8u h LYS 75 CO 0.05 1.43 -0.77 0.09 -0.57 0.00 0.00 179.45 179.68 1n8u n ASN 76 N -3.70 1.85 -2.98 0.86 3.02 0.14 -4.75 115.26 109.69 1n8u n ASN 76 Ca -0.18 -0.34 -0.14 0.00 -0.03 0.00 0.00 54.58 53.89 1n8u n ASN 76 Cb 1.10 1.14 0.01 0.00 -0.61 0.00 0.00 39.78 41.42 1n8u n ASN 76 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1n8u n GLU 77 N -1.42 1.03 -0.24 3.52 -0.58 -0.42 -4.96 120.64 117.57 1n8u n GLU 77 Ca 0.00 -3.03 0.13 0.00 -0.42 0.00 0.00 57.16 53.84 1n8u n GLU 77 Cb 0.13 -1.41 0.41 0.00 -0.57 0.00 0.00 31.44 30.00 1n8u n GLU 77 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1n8u h ILE 78 N 1.79 0.82 -0.50 -3.67 2.04 -1.62 -1.18 117.51 115.19 1n8u h ILE 78 Ca 0.00 -0.21 -0.12 0.00 1.00 0.00 0.00 64.86 65.54 1n8u h ILE 78 Cb 1.05 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1n8u h ILE 78 CO 0.41 0.11 -0.15 -0.33 0.00 0.00 0.00 178.15 178.19 1n8u h GLU 79 N 0.62 0.97 -0.40 2.37 3.07 -1.93 -0.55 114.58 118.72 1n8u h GLU 79 Ca 0.43 -0.37 -0.04 0.00 -0.50 0.00 0.00 59.36 58.87 1n8u h GLU 79 Cb 0.75 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.59 1n8u h GLU 79 CO -0.18 1.04 0.09 0.82 -1.40 0.00 0.00 179.01 179.38 1n8u h ILE 80 N 0.85 1.23 -0.59 3.13 2.04 -1.60 -2.08 117.51 120.50 1n8u h ILE 80 Ca 0.13 -0.81 0.10 0.00 1.00 0.00 0.00 64.86 65.27 1n8u h ILE 80 Cb 0.71 0.99 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 1n8u h ILE 80 CO 0.05 0.28 0.19 -0.25 0.00 0.00 0.00 178.15 178.42 1n8u h TRP 81 N 0.51 0.32 -0.69 1.37 2.91 -1.05 -0.88 115.95 118.44 1n8u h TRP 81 Ca 0.13 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 60.12 1n8u h TRP 81 Cb 0.33 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 28.89 1n8u h TRP 81 CO 0.02 0.06 0.20 0.00 -1.03 0.00 0.00 178.44 177.69 1n8u h ARG 82 N 0.35 1.09 -0.54 2.65 3.08 -0.81 -1.27 114.38 118.94 1n8u h ARG 82 Ca 0.30 -0.24 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 1n8u h ARG 82 Cb 0.39 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1n8u h ARG 82 CO -0.33 0.95 -0.13 1.05 -1.07 0.00 0.00 179.97 180.44 1n8u h GLU 83 N 1.02 1.03 -0.19 0.04 4.11 -1.01 -2.38 114.58 117.20 1n8u h GLU 83 Ca 0.22 -0.39 -0.06 0.00 0.07 0.00 0.00 59.36 59.20 1n8u h GLU 83 Cb 0.33 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1n8u h GLU 83 CO -0.00 1.08 -0.12 -0.07 0.07 0.00 0.00 179.01 179.97 1n8u h LEU 84 N 0.91 0.43 -0.93 3.06 3.38 -0.84 -2.75 115.31 118.58 1n8u h LEU 84 Ca 0.14 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 1n8u h LEU 84 Cb 0.70 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1n8u h LEU 84 CO 0.05 0.77 -0.06 0.00 0.09 0.00 0.00 178.44 179.30 1n8u h THR 85 N 0.09 1.24 -0.33 0.22 1.03 -1.29 -0.54 112.91 113.34 1n8u h THR 85 Ca 0.04 -1.05 -0.11 0.00 -0.01 0.00 0.00 66.41 65.28 1n8u h THR 85 Cb 0.62 0.98 -0.01 0.00 -1.07 0.00 0.00 68.15 68.66 1n8u h THR 85 CO 0.03 0.36 -0.25 0.00 -0.01 0.00 0.00 175.52 175.66 1n8u h ALA 86 N 1.27 0.95 0.06 0.00 0.00 -1.43 0.27 119.26 120.38 1n8u h ALA 86 Ca 0.13 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1n8u h ALA 86 Cb 0.50 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1n8u h ALA 86 CO 0.03 0.61 -0.44 -0.22 0.00 0.00 0.00 179.25 179.23 1n8u h LYS 87 N 0.57 0.19 0.00 0.00 3.64 -1.26 -3.31 116.57 116.40 1n8u h LYS 87 Ca 0.08 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1n8u h LYS 87 Cb 0.72 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1n8u h LYS 87 CO 0.06 1.10 -1.44 0.66 -2.27 0.00 0.00 179.45 177.55 1n8u n TYR 88 N -4.36 0.50 -3.16 1.91 4.01 -0.23 -4.47 117.16 111.37 1n8u n TYR 88 Ca -0.12 0.15 -0.22 0.00 -0.16 0.00 0.00 57.90 57.55 1n8u n TYR 88 Cb 0.64 -0.72 -0.05 0.00 -0.31 0.00 0.00 39.34 38.90 1n8u n TYR 88 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1n8u n ASP 89 N -2.45 1.79 0.11 7.72 2.03 0.08 -4.85 116.55 120.98 1n8u n ASP 89 Ca -0.02 -3.13 0.03 0.00 0.52 0.00 0.00 54.79 52.19 1n8u n ASP 89 Cb 0.55 -0.62 0.41 0.00 -0.72 0.00 0.00 41.12 40.74 1n8u n ASP 89 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1n8u h PRO 90 N 3.37 0.27 -0.06 -0.67 0.13 -1.64 -0.82 132.00 132.57 1n8u h PRO 90 Ca 0.11 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1n8u h PRO 90 Cb 0.81 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1n8u h PRO 90 CO 0.60 0.35 0.00 0.25 -0.23 0.00 0.00 178.00 178.97 1n8u n THR 91 N -4.32 0.07 -3.29 1.56 -2.24 -1.26 -4.94 114.28 99.86 1n8u n THR 91 Ca -0.00 -0.18 -0.17 0.00 -2.27 0.00 0.00 64.05 61.42 1n8u n THR 91 Cb 0.23 0.11 0.07 0.00 -2.10 0.00 0.00 70.33 68.64 1n8u n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n8u n GLY 92 N 1.05 -0.24 0.33 3.38 0.00 -0.31 -4.91 105.19 104.48 1n8u n GLY 92 Ca 0.18 0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 1n8u n GLY 92 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1n8u h ASN 93 N -1.90 0.95 -0.00 1.61 2.35 -1.92 -3.35 115.58 113.33 1n8u h ASN 93 Ca -0.47 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.13 1n8u h ASN 93 Cb 1.29 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.41 1n8u h ASN 93 CO 0.43 0.86 -0.01 0.79 -1.65 0.00 0.00 177.43 177.86 1n8u n TRP 94 N -4.29 0.00 0.09 1.19 7.02 -1.26 -4.79 117.44 115.40 1n8u n TRP 94 Ca 0.06 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.41 1n8u n TRP 94 Cb 0.19 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.01 1n8u n TRP 94 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 1n8u h ARG 95 N 0.00 -0.56 -0.55 -0.99 2.43 -1.93 -1.88 114.38 110.91 1n8u h ARG 95 Ca 0.00 0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 1n8u h ARG 95 Cb 0.00 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1n8u h ARG 95 CO 0.00 -0.37 -0.06 -0.22 -1.51 0.00 0.00 179.97 177.80 1n8u h LYS 96 N -0.58 0.99 -0.48 0.20 3.64 -1.88 -1.57 116.57 116.90 1n8u h LYS 96 Ca 0.04 -0.34 0.07 0.00 -1.27 0.00 0.00 60.65 59.15 1n8u h LYS 96 Cb 0.64 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.32 1n8u h LYS 96 CO -0.26 1.01 0.14 0.87 -2.27 0.00 0.00 179.45 178.94 1n8u h LYS 97 N 0.90 0.28 -0.21 1.90 1.57 -1.78 0.12 116.57 119.35 1n8u h LYS 97 Ca 0.15 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.73 1n8u h LYS 97 Cb 0.61 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1n8u h LYS 97 CO 0.04 0.19 -0.59 1.88 -0.57 0.00 0.00 179.45 180.39 1n8u h TYR 98 N 0.29 0.88 -0.48 -1.35 0.05 -1.23 -2.33 116.97 112.80 1n8u h TYR 98 Ca 0.23 -0.33 -0.05 0.00 0.05 0.00 0.00 58.73 58.63 1n8u h TYR 98 Cb 0.28 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1n8u h TYR 98 CO -0.19 1.11 0.09 0.93 -1.05 0.00 0.00 178.16 179.06 1n8u h GLU 99 N 0.52 0.78 -0.96 4.88 5.08 -1.02 -0.55 114.58 123.31 1n8u h GLU 99 Ca -0.00 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1n8u h GLU 99 Cb 1.17 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 1n8u h GLU 99 CO 0.12 0.78 0.63 -0.44 -1.00 0.00 0.00 179.01 179.10 1n8u h ASP 100 N 0.66 1.06 -0.46 1.42 3.32 -0.72 -2.23 116.42 119.48 1n8u h ASP 100 Ca 0.15 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 1n8u h ASP 100 Cb 0.37 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1n8u h ASP 100 CO 0.01 0.74 -0.14 0.03 -1.72 0.00 0.00 179.24 178.16 1n8u h ARG 101 N 1.24 0.95 0.00 3.56 3.08 -1.16 -3.51 114.38 118.53 1n8u h ARG 101 Ca 0.37 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1n8u h ARG 101 Cb -0.05 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1n8u h ARG 101 CO -0.11 1.02 0.00 0.00 -1.07 0.00 0.00 179.97 179.81