#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8v s VAL 2 N 0.00 4.82 -1.58 2.53 1.01 -1.26 -4.69 120.40 121.23 1i8v s VAL 2 Ca 0.00 1.99 0.29 0.00 0.00 0.00 0.00 61.98 64.25 1i8v s VAL 2 Cb 0.00 -4.29 0.59 0.00 0.00 0.00 0.00 36.38 32.68 1i8v s VAL 2 CO 0.00 0.20 2.01 -1.54 0.00 0.00 0.00 175.10 175.77 1i8v n SER 3 N 3.65 0.00 0.00 3.32 3.41 0.19 -4.97 113.62 119.22 1i8v n SER 3 Ca 0.04 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1i8v n SER 3 Cb 0.51 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1i8v n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i8v n GLY 4 N 1.05 0.57 3.63 5.00 0.00 -1.26 -5.04 105.19 109.14 1i8v n GLY 4 Ca 0.16 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 1i8v n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i8v s THR 5 N -2.20 3.80 -0.02 2.61 2.01 -1.26 -1.23 115.64 119.35 1i8v s THR 5 Ca 0.00 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.23 1i8v s THR 5 Cb 0.00 -2.70 -0.01 0.00 0.01 0.00 0.00 72.50 69.80 1i8v s THR 5 CO 0.00 0.32 -0.15 0.54 -0.69 0.00 0.00 174.62 174.64 1i8v s VAL 6 N -1.09 1.19 0.35 3.82 0.11 0.02 -4.90 120.40 119.91 1i8v s VAL 6 Ca 0.19 -0.63 -0.27 0.00 -2.93 0.00 0.00 61.98 58.34 1i8v s VAL 6 Cb -0.11 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.64 1i8v s VAL 6 CO 0.10 0.34 1.19 0.00 -3.33 0.00 0.00 175.10 173.40 1i8v h LEU 8 N 3.10 0.78 -1.79 0.00 5.85 -0.85 -0.72 115.31 121.68 1i8v h LEU 8 Ca -0.48 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1i8v h LEU 8 Cb 1.23 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1i8v h LEU 8 CO 0.64 0.52 0.00 0.77 -0.34 0.00 0.00 178.44 180.03 1i8v h SER 9 N 0.90 0.00 0.77 1.25 4.64 -1.69 -2.37 113.55 117.04 1i8v h SER 9 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1i8v h SER 9 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1i8v h SER 9 CO -0.11 0.00 -0.41 0.00 -0.87 0.00 0.00 176.83 175.44 1i8v n ALA 10 N -2.04 3.05 -2.00 5.18 0.00 -0.28 -4.92 120.51 119.50 1i8v n ALA 10 Ca -0.00 -0.25 -0.27 0.00 0.00 0.00 0.00 53.44 52.92 1i8v n ALA 10 Cb 0.22 -1.22 0.05 0.00 0.00 0.00 0.00 19.45 18.49 1i8v n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i8v s LEU 11 N -3.46 3.04 0.62 0.00 1.43 -0.90 -5.03 118.68 114.38 1i8v s LEU 11 Ca 0.10 0.67 -0.18 0.00 -1.03 0.00 0.00 54.13 53.69 1i8v s LEU 11 Cb 0.16 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 1i8v s LEU 11 CO 0.67 -1.30 1.01 -2.65 0.23 0.00 0.00 176.35 174.31 1i8v n PRO 12 N -2.76 0.89 0.27 1.29 -0.02 -1.26 -4.85 135.00 128.56 1i8v n PRO 12 Ca 0.06 0.35 0.11 0.00 -2.02 0.00 0.00 63.50 62.00 1i8v n PRO 12 Cb 0.59 -2.23 0.74 0.00 -0.02 0.00 0.00 33.50 32.58 1i8v n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1i8v h PRO 13 N 0.41 0.00 0.00 0.52 0.13 -1.95 -1.19 132.00 129.92 1i8v h PRO 13 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1i8v h PRO 13 Cb 1.36 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.49 1i8v h PRO 13 CO 0.51 0.04 -0.01 0.93 -0.23 0.00 0.00 178.00 179.24 1i8v h GLU 14 N 0.00 0.00 -0.32 0.86 3.07 -1.88 -1.94 114.58 114.37 1i8v h GLU 14 Ca -0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 1i8v h GLU 14 Cb 0.08 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 1i8v h GLU 14 CO 0.01 0.01 -0.19 0.00 -1.40 0.00 0.00 179.01 177.43 1i8v h ALA 15 N 1.99 1.08 -0.56 3.43 0.00 -1.55 -1.56 119.26 122.09 1i8v h ALA 15 Ca -0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1i8v h ALA 15 Cb 0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1i8v h ALA 15 CO 0.00 0.56 0.05 1.15 0.00 0.00 0.00 179.25 181.02 1i8v h THR 16 N 0.52 1.26 -0.56 0.00 2.02 -1.51 -1.51 112.91 113.14 1i8v h THR 16 Ca 0.08 -1.04 0.03 0.00 0.77 0.00 0.00 66.41 66.25 1i8v h THR 16 Cb 0.62 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 1i8v h THR 16 CO 0.04 0.38 0.33 0.44 0.37 0.00 0.00 175.52 177.08 1i8v h ASP 17 N 0.84 0.54 -0.39 4.18 3.45 -1.35 -0.84 116.42 122.85 1i8v h ASP 17 Ca 0.17 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.60 1i8v h ASP 17 Cb 0.47 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.12 1i8v h ASP 17 CO 0.02 0.38 0.12 0.74 -1.57 0.00 0.00 179.24 178.92 1i8v h THR 18 N 0.66 1.22 -0.94 0.35 2.02 -1.09 -1.76 112.91 113.37 1i8v h THR 18 Ca 0.23 -0.72 0.03 0.00 0.77 0.00 0.00 66.41 66.72 1i8v h THR 18 Cb 0.03 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 1i8v h THR 18 CO -0.10 0.25 0.61 -0.07 0.37 0.00 0.00 175.52 176.58 1i8v h LEU 19 N 0.48 1.02 -0.82 2.58 3.38 -0.91 -0.09 115.31 120.94 1i8v h LEU 19 Ca 0.12 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1i8v h LEU 19 Cb 0.27 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1i8v h LEU 19 CO -0.00 0.70 0.11 0.78 0.09 0.00 0.00 178.44 180.12 1i8v h ASN 20 N 1.18 0.94 -0.42 -0.43 2.35 -0.77 -1.63 115.58 116.81 1i8v h ASN 20 Ca 0.37 -0.21 -0.11 0.00 -0.55 0.00 0.00 56.30 55.80 1i8v h ASN 20 Cb 0.00 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 1i8v h ASN 20 CO -0.11 0.94 -0.16 -0.07 -1.65 0.00 0.00 177.43 176.37 1i8v h LEU 21 N 0.94 0.91 -0.75 1.61 3.38 -0.67 -2.67 115.31 118.06 1i8v h LEU 21 Ca 0.19 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1i8v h LEU 21 Cb 0.39 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1i8v h LEU 21 CO 0.01 1.06 0.49 0.40 0.09 0.00 0.00 178.44 180.49 1i8v h ILE 22 N 0.80 1.20 -0.61 1.22 2.04 -0.78 -0.08 117.51 121.30 1i8v h ILE 22 Ca 0.12 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1i8v h ILE 22 Cb 0.70 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1i8v h ILE 22 CO 0.05 0.19 0.35 0.00 0.00 0.00 0.00 178.15 178.74 1i8v h ALA 23 N 1.27 1.48 -0.17 1.87 0.00 -1.11 -2.27 119.26 120.33 1i8v h ALA 23 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1i8v h ALA 23 Cb -0.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1i8v h ALA 23 CO -0.06 0.45 0.00 -1.13 0.00 0.00 0.00 179.25 178.51 1i8v n SER 24 N -4.40 2.08 -3.97 0.00 3.41 -1.01 -4.95 113.62 104.79 1i8v n SER 24 Ca 0.06 -1.75 -0.27 0.00 -0.26 0.00 0.00 58.87 56.65 1i8v n SER 24 Cb 0.08 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 63.91 1i8v n SER 24 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1i8v n ASP 25 N 0.60 -0.99 0.00 4.04 9.92 -0.58 -4.73 116.55 124.81 1i8v n ASP 25 Ca 0.17 -0.98 0.00 0.00 -0.53 0.00 0.00 54.79 53.45 1i8v n ASP 25 Cb 0.41 -3.14 0.00 0.00 -0.64 0.00 0.00 41.12 37.75 1i8v n ASP 25 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i8v n GLY 26 N -1.86 -1.10 3.76 0.44 0.00 -0.15 -4.79 105.19 101.49 1i8v n GLY 26 Ca -0.24 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 1i8v n GLY 26 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1i8v s PRO 27 N 0.00 3.58 0.17 1.61 0.02 -1.26 -4.97 135.00 134.15 1i8v s PRO 27 Ca 0.00 2.14 0.01 0.00 0.02 0.00 0.00 61.00 63.18 1i8v s PRO 27 Cb 0.00 -2.49 -0.04 0.00 0.02 0.00 0.00 34.50 31.99 1i8v s PRO 27 CO 0.00 -0.80 0.32 -0.06 -0.33 0.00 0.00 177.00 176.13 1i8v s PHE 28 N -1.33 3.49 0.19 6.54 0.40 -1.26 -5.03 117.98 120.98 1i8v s PHE 28 Ca 0.64 0.20 -0.00 0.00 -0.60 0.00 0.00 56.93 57.17 1i8v s PHE 28 Cb -0.38 -1.74 0.11 0.00 0.51 0.00 0.00 43.02 41.52 1i8v s PHE 28 CO 0.47 0.46 1.47 -1.00 0.70 0.00 0.00 175.22 177.32 1i8v h PRO 29 N 2.10 0.38 -6.32 0.24 0.13 -1.98 -3.45 132.00 123.10 1i8v h PRO 29 Ca -0.48 -0.29 -0.68 0.00 -0.87 0.00 0.00 66.00 63.68 1i8v h PRO 29 Cb 1.19 0.05 -0.17 0.00 0.13 0.00 0.00 31.00 32.20 1i8v h PRO 29 CO 0.68 0.92 -0.71 0.71 -0.23 0.00 0.00 178.00 179.37 1i8v s TYR 30 N -3.70 2.86 0.07 1.56 2.02 -1.26 -5.01 117.35 113.88 1i8v s TYR 30 Ca -0.05 -0.06 0.33 0.00 -0.37 0.00 0.00 57.07 56.92 1i8v s TYR 30 Cb 0.11 -1.59 1.44 0.00 -0.40 0.00 0.00 41.96 41.52 1i8v s TYR 30 CO 0.83 0.36 1.98 0.66 -1.57 0.00 0.00 175.55 177.81 1i8v h SER 31 N 4.51 0.00 0.36 2.29 4.64 -2.05 -1.67 113.55 121.62 1i8v h SER 31 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1i8v h SER 31 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1i8v h SER 31 CO 0.53 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 176.42 1i8v n GLN 32 N -2.91 0.70 -2.10 4.77 1.13 -1.26 -4.85 117.38 112.86 1i8v n GLN 32 Ca 0.00 -0.19 -0.42 0.00 -1.94 0.00 0.00 57.00 54.46 1i8v n GLN 32 Cb 0.25 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.08 1i8v n GLN 32 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1i8v s ASP 33 N -2.43 6.75 0.00 1.08 -0.00 -0.63 -2.94 116.67 118.50 1i8v s ASP 33 Ca 0.31 2.45 0.00 0.00 -0.00 0.00 0.00 52.55 55.30 1i8v s ASP 33 Cb 0.20 -2.59 0.00 0.00 -0.00 0.00 0.00 42.92 40.53 1i8v s ASP 33 CO 0.46 -0.69 0.00 0.61 -0.00 0.00 0.00 175.17 175.55 1i8v n GLY 34 N 3.28 0.69 3.77 0.21 0.00 0.69 -5.01 105.19 108.83 1i8v n GLY 34 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1i8v n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1i8v s VAL 35 N -2.54 3.36 0.23 1.61 -7.23 -1.15 -4.66 120.40 110.01 1i8v s VAL 35 Ca 0.00 0.44 -0.30 0.00 -1.81 0.00 0.00 61.98 60.31 1i8v s VAL 35 Cb 0.00 -2.95 -0.09 0.00 0.56 0.00 0.00 36.38 33.90 1i8v s VAL 35 CO 0.00 -0.58 1.32 -0.69 -0.31 0.00 0.00 175.10 174.84 1i8v s VAL 36 N -2.92 3.06 -0.27 1.32 1.01 -1.26 -1.21 120.40 120.13 1i8v s VAL 36 Ca 0.61 0.91 -0.18 0.00 0.00 0.00 0.00 61.98 63.32 1i8v s VAL 36 Cb -0.17 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1i8v s VAL 36 CO 0.56 0.16 0.51 0.12 0.00 0.00 0.00 175.10 176.44 1i8v s PHE 37 N -0.18 3.26 -0.61 5.22 2.19 -0.37 -4.78 117.98 122.70 1i8v s PHE 37 Ca 0.55 0.58 0.25 0.00 0.33 0.00 0.00 56.93 58.64 1i8v s PHE 37 Cb -0.38 -2.73 0.60 0.00 -1.31 0.00 0.00 43.02 39.20 1i8v s PHE 37 CO 0.41 -0.30 1.68 1.96 1.83 0.00 0.00 175.22 180.80 1i8v h GLN 38 N 8.07 0.00 -6.21 10.12 4.20 -1.95 -3.40 115.11 125.94 1i8v h GLN 38 Ca -0.29 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 57.97 1i8v h GLN 38 Cb 1.14 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.93 1i8v h GLN 38 CO 0.72 0.00 -0.81 -1.71 -0.67 0.00 0.00 178.83 176.36 1i8v n ASN 39 N -2.56 -2.54 0.13 1.46 5.15 -1.26 -4.87 115.26 110.77 1i8v n ASN 39 Ca 0.05 -0.82 0.04 0.00 -0.60 0.00 0.00 54.58 53.25 1i8v n ASN 39 Cb 0.47 -3.91 0.46 0.00 -0.53 0.00 0.00 39.78 36.27 1i8v n ASN 39 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1i8v h ARG 40 N -1.95 0.22 -0.17 1.20 3.08 -1.99 -1.48 114.38 113.29 1i8v h ARG 40 Ca -0.60 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.42 1i8v h ARG 40 Cb 1.37 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1i8v h ARG 40 CO 0.61 0.28 0.00 0.39 -1.07 0.00 0.00 179.97 180.18 1i8v n GLU 41 N -4.37 1.75 -2.96 0.04 -0.58 -1.26 -4.95 120.64 108.32 1i8v n GLU 41 Ca -0.01 -1.13 -0.22 0.00 -0.42 0.00 0.00 57.16 55.38 1i8v n GLU 41 Cb 0.19 -1.40 0.02 0.00 -0.57 0.00 0.00 31.44 29.68 1i8v n GLU 41 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1i8v n SER 42 N 0.36 -5.56 -0.07 1.62 7.64 -0.56 -4.89 113.62 112.16 1i8v n SER 42 Ca 0.16 -0.24 -0.14 0.00 1.01 0.00 0.00 58.87 59.66 1i8v n SER 42 Cb 0.34 -4.54 -0.05 0.00 -1.01 0.00 0.00 64.21 58.95 1i8v n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1i8v h VAL 43 N -1.04 1.30 -3.30 0.44 2.07 -1.93 -3.41 116.25 110.38 1i8v h VAL 43 Ca -0.50 -1.64 -0.47 0.00 0.82 0.00 0.00 66.70 64.92 1i8v h VAL 43 Cb 1.34 1.73 0.04 0.00 -1.52 0.00 0.00 31.29 32.88 1i8v h VAL 43 CO 0.55 0.52 0.06 -0.76 0.02 0.00 0.00 177.57 177.96 1i8v s LEU 44 N -8.79 3.48 0.38 2.57 1.43 -1.26 -0.74 118.68 115.75 1i8v s LEU 44 Ca -0.12 0.61 -0.26 0.00 -1.03 0.00 0.00 54.13 53.33 1i8v s LEU 44 Cb 0.09 -3.48 -0.11 0.00 0.03 0.00 0.00 46.19 42.71 1i8v s LEU 44 CO 0.85 -0.81 1.17 -2.65 0.23 0.00 0.00 176.35 175.14 1i8v n PRO 45 N -2.32 1.74 -2.05 1.29 -0.02 -1.26 -4.88 135.00 127.50 1i8v n PRO 45 Ca 0.02 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 1i8v n PRO 45 Cb 0.57 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 1i8v n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1i8v s THR 46 N -1.17 3.18 0.18 3.45 2.01 -1.26 -5.01 115.64 117.03 1i8v s THR 46 Ca 0.59 0.72 -0.00 0.00 0.31 0.00 0.00 61.69 63.31 1i8v s THR 46 Cb -0.57 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1i8v s THR 46 CO 0.59 0.02 0.08 -1.10 -0.69 0.00 0.00 174.62 173.53 1i8v s GLN 47 N 1.97 1.12 0.67 4.92 -1.52 -1.26 -5.14 119.66 120.41 1i8v s GLN 47 Ca 0.69 -1.57 -0.17 0.00 -1.95 0.00 0.00 55.36 52.36 1i8v s GLN 47 Cb -0.38 0.13 0.00 0.00 -0.22 0.00 0.00 33.01 32.55 1i8v s GLN 47 CO 0.30 -0.30 1.28 -1.12 -0.25 0.00 0.00 175.29 175.20 1i8v s SER 48 N -3.14 4.48 0.21 5.90 0.01 -1.26 -4.91 113.70 114.99 1i8v s SER 48 Ca 0.32 2.57 -0.32 0.00 1.31 0.00 0.00 55.95 59.83 1i8v s SER 48 Cb 0.07 -2.61 -0.14 0.00 0.21 0.00 0.00 66.02 63.55 1i8v s SER 48 CO 0.08 -2.09 1.48 0.00 0.41 0.00 0.00 173.24 173.12 1i8v n TYR 49 N -2.10 2.23 0.00 2.43 4.19 -1.26 -2.04 117.16 120.60 1i8v n TYR 49 Ca 0.15 0.37 0.00 0.00 3.31 0.00 0.00 57.90 61.73 1i8v n TYR 49 Cb 0.49 -2.50 0.00 0.00 0.49 0.00 0.00 39.34 37.82 1i8v n TYR 49 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1i8v n GLY 50 N 2.64 0.88 0.24 2.98 0.00 -1.26 -4.96 105.19 105.71 1i8v n GLY 50 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 1i8v n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1i8v h TYR 51 N 0.00 0.80 -3.18 1.61 3.20 -1.75 -3.44 116.97 114.21 1i8v h TYR 51 Ca 0.00 -0.22 -0.67 0.00 3.14 0.00 0.00 58.73 60.98 1i8v h TYR 51 Cb 0.00 -0.17 -0.12 0.00 1.54 0.00 0.00 36.73 37.97 1i8v h TYR 51 CO 0.00 0.94 -0.59 0.71 -1.64 0.00 0.00 178.16 177.58 1i8v s TYR 52 N -4.34 3.24 0.13 -3.82 1.51 -1.26 -3.55 117.35 109.26 1i8v s TYR 52 Ca -0.08 0.21 0.05 0.00 -1.01 0.00 0.00 57.07 56.24 1i8v s TYR 52 Cb 0.12 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 1i8v s TYR 52 CO 0.84 0.53 -0.12 -1.01 -1.11 0.00 0.00 175.55 174.67 1i8v s HIS 53 N -1.04 1.32 0.06 2.71 3.76 -0.74 -1.24 115.29 120.12 1i8v s HIS 53 Ca 0.18 -0.63 0.07 0.00 -0.15 0.00 0.00 55.06 54.53 1i8v s HIS 53 Cb -0.12 -0.68 -0.03 0.00 1.11 0.00 0.00 32.58 32.86 1i8v s HIS 53 CO 0.08 0.12 -0.20 -1.83 -0.85 0.00 0.00 174.74 172.06 1i8v s GLU 54 N -3.06 1.26 -0.00 1.40 -1.05 -0.35 -1.04 118.70 115.86 1i8v s GLU 54 Ca 0.11 -0.99 0.01 0.00 -0.15 0.00 0.00 54.97 53.95 1i8v s GLU 54 Cb -0.02 -1.41 -0.00 0.00 -0.44 0.00 0.00 34.13 32.26 1i8v s GLU 54 CO 0.02 0.35 -0.02 0.71 0.95 0.00 0.00 175.26 177.27 1i8v s TYR 55 N -0.92 0.19 0.28 4.83 2.02 -0.20 -0.22 117.35 123.33 1i8v s TYR 55 Ca 0.06 -0.04 -0.29 0.00 -0.37 0.00 0.00 57.07 56.43 1i8v s TYR 55 Cb -0.09 -0.12 -0.10 0.00 -0.40 0.00 0.00 41.96 41.25 1i8v s TYR 55 CO 0.02 -0.00 1.13 0.99 -1.57 0.00 0.00 175.55 176.12 1i8v s THR 56 N -0.06 3.40 -0.34 -0.71 2.01 -1.26 -1.25 115.64 117.43 1i8v s THR 56 Ca 0.01 1.40 -0.08 0.00 0.31 0.00 0.00 61.69 63.33 1i8v s THR 56 Cb -0.01 -3.89 0.03 0.00 0.01 0.00 0.00 72.50 68.64 1i8v s THR 56 CO -0.00 0.33 0.13 -0.69 -0.69 0.00 0.00 174.62 173.70 1i8v s VAL 57 N -1.09 4.12 0.33 3.82 1.01 -0.73 -4.79 120.40 123.07 1i8v s VAL 57 Ca 0.45 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 1i8v s VAL 57 Cb -0.33 -3.25 -0.11 0.00 0.00 0.00 0.00 36.38 32.69 1i8v s VAL 57 CO 0.42 -0.11 1.50 -0.63 0.00 0.00 0.00 175.10 176.28 1i8v s ILE 58 N 1.49 2.17 -0.37 2.22 1.01 -1.26 -4.41 121.20 122.04 1i8v s ILE 58 Ca 0.01 0.16 -0.09 0.00 0.00 0.00 0.00 60.65 60.73 1i8v s ILE 58 Cb -0.19 -3.10 0.04 0.00 0.01 0.00 0.00 42.46 39.23 1i8v s ILE 58 CO 0.04 0.03 0.19 -0.89 0.00 0.00 0.00 174.94 174.31 1i8v s THR 59 N -0.63 4.25 0.35 2.92 2.01 -1.26 -4.78 115.64 118.50 1i8v s THR 59 Ca 0.57 -1.07 -0.28 0.00 0.31 0.00 0.00 61.69 61.21 1i8v s THR 59 Cb -0.46 -3.44 -0.12 0.00 0.01 0.00 0.00 72.50 68.50 1i8v s THR 59 CO 0.55 -0.28 1.44 -2.65 -0.69 0.00 0.00 174.62 172.99 1i8v n PRO 60 N 4.92 2.51 0.00 4.92 -0.02 -1.26 -2.12 135.00 143.95 1i8v n PRO 60 Ca -0.12 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1i8v n PRO 60 Cb 0.45 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1i8v n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i8v n GLY 61 N 0.78 2.54 3.83 -1.23 0.00 -1.26 -5.04 105.19 104.82 1i8v n GLY 61 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1i8v n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i8v s ALA 62 N -2.29 3.14 -0.86 4.61 0.00 -0.90 -4.97 121.76 120.49 1i8v s ALA 62 Ca 0.00 0.23 0.24 0.00 0.00 0.00 0.00 51.96 52.44 1i8v s ALA 62 Cb 0.00 -3.01 0.37 0.00 0.00 0.00 0.00 23.12 20.48 1i8v s ALA 62 CO 0.00 0.13 1.32 2.89 0.00 0.00 0.00 175.76 180.09 1i8v n ARG 63 N -0.73 0.11 -3.22 0.00 1.85 -1.26 -4.91 116.66 108.50 1i8v n ARG 63 Ca 0.06 0.02 -0.16 0.00 -1.00 0.00 0.00 57.85 56.77 1i8v n ARG 63 Cb 0.54 -1.56 -0.03 0.00 -1.05 0.00 0.00 32.46 30.36 1i8v n ARG 63 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1i8v n THR 64 N -1.71 0.00 0.35 8.89 -2.24 -1.26 -5.01 114.28 113.30 1i8v n THR 64 Ca 0.04 -1.22 0.08 0.00 -2.27 0.00 0.00 64.05 60.68 1i8v n THR 64 Cb 0.37 0.12 0.34 0.00 -2.10 0.00 0.00 70.33 69.07 1i8v n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1i8v n ARG 65 N -0.79 0.07 0.00 -0.78 1.74 -1.26 -4.86 116.66 110.78 1i8v n ARG 65 Ca -0.09 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 1i8v n ARG 65 Cb 0.33 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1i8v n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i8v n GLY 66 N -0.38 -1.31 0.15 -0.13 0.00 -1.26 -4.53 105.19 97.74 1i8v n GLY 66 Ca 0.02 -1.25 0.01 0.00 0.00 0.00 0.00 46.02 44.80 1i8v n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i8v n THR 67 N -0.17 0.79 -3.81 2.61 -2.24 -1.26 -4.96 114.28 105.24 1i8v n THR 67 Ca 0.00 -0.90 -0.35 0.00 -2.27 0.00 0.00 64.05 60.53 1i8v n THR 67 Cb 0.00 0.61 -0.08 0.00 -2.10 0.00 0.00 70.33 68.77 1i8v n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1i8v s ARG 68 N -0.84 4.00 0.04 -0.78 0.52 -1.26 -1.27 118.95 119.36 1i8v s ARG 68 Ca 0.05 -0.22 -0.08 0.00 -0.52 0.00 0.00 55.73 54.96 1i8v s ARG 68 Cb 0.03 -3.34 -0.00 0.00 0.52 0.00 0.00 34.95 32.16 1i8v s ARG 68 CO 0.04 0.39 0.15 1.03 0.02 0.00 0.00 175.30 176.93 1i8v s ARG 69 N 0.08 0.64 -0.14 3.54 1.81 -0.28 -1.77 118.95 122.83 1i8v s ARG 69 Ca 0.09 -0.69 -0.03 0.00 -1.72 0.00 0.00 55.73 53.38 1i8v s ARG 69 Cb -0.11 0.26 -0.03 0.00 -0.45 0.00 0.00 34.95 34.62 1i8v s ARG 69 CO -0.01 -0.17 -0.05 0.42 -0.68 0.00 0.00 175.30 174.81 1i8v s ILE 70 N -2.58 3.81 -0.16 1.52 1.01 -0.38 -1.52 121.20 122.90 1i8v s ILE 70 Ca -0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.17 1i8v s ILE 70 Cb -0.01 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 1i8v s ILE 70 CO -0.04 0.51 -0.04 -0.63 0.00 0.00 0.00 174.94 174.74 1i8v s ILE 71 N 0.23 3.85 -0.01 2.92 1.09 0.11 -1.03 121.20 128.37 1i8v s ILE 71 Ca -0.03 -0.37 -0.02 0.00 -1.10 0.00 0.00 60.65 59.13 1i8v s ILE 71 Cb -0.14 -2.69 -0.04 0.00 -1.06 0.00 0.00 42.46 38.53 1i8v s ILE 71 CO 0.03 0.49 0.15 0.42 -0.10 0.00 0.00 174.94 175.93 1i8v s THR 72 N 0.41 5.20 0.54 2.92 -4.23 -0.21 -0.46 115.64 119.81 1i8v s THR 72 Ca -0.04 -0.23 0.05 0.00 -1.18 0.00 0.00 61.69 60.30 1i8v s THR 72 Cb -0.14 -3.41 0.04 0.00 1.34 0.00 0.00 72.50 70.33 1i8v s THR 72 CO 0.03 0.35 0.40 -0.83 -0.54 0.00 0.00 174.62 174.03 1i8v s GLY 73 N -1.84 2.37 0.38 3.99 0.00 -0.07 -1.80 107.32 110.37 1i8v s GLY 73 Ca 0.25 -1.26 0.21 0.00 0.00 0.00 0.00 44.72 43.92 1i8v s GLY 73 CO 0.17 -1.94 1.61 0.83 0.00 0.00 0.00 173.10 173.76 1i8v h GLU 74 N 0.76 0.00 -7.32 2.90 5.08 -1.86 -3.43 114.58 110.71 1i8v h GLU 74 Ca -0.37 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.48 1i8v h GLU 74 Cb 1.30 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.67 1i8v h GLU 74 CO 0.57 0.25 0.33 0.00 -1.00 0.00 0.00 179.01 179.17 1i8v s ALA 75 N -3.22 2.38 0.11 3.43 0.00 -1.26 -4.95 121.76 118.26 1i8v s ALA 75 Ca 0.04 0.20 -0.31 0.00 0.00 0.00 0.00 51.96 51.90 1i8v s ALA 75 Cb 0.07 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 1i8v s ALA 75 CO 0.69 -1.61 1.71 -0.08 0.00 0.00 0.00 175.76 176.47 1i8v s THR 76 N -2.95 2.71 -1.80 0.00 -1.32 -1.26 -1.91 115.64 109.11 1i8v s THR 76 Ca 0.60 0.28 0.00 0.00 -1.21 0.00 0.00 61.69 61.36 1i8v s THR 76 Cb -0.16 -3.18 0.00 0.00 -1.51 0.00 0.00 72.50 67.65 1i8v s THR 76 CO 0.56 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.97 1i8v n GLN 77 N 5.28 -1.64 -2.77 7.08 6.02 -1.26 -4.90 117.38 125.19 1i8v n GLN 77 Ca 0.16 1.01 -0.43 0.00 -0.01 0.00 0.00 57.00 57.73 1i8v n GLN 77 Cb 0.39 -5.53 -0.02 0.00 1.02 0.00 0.00 30.24 26.10 1i8v n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1i8v s GLU 78 N -4.43 3.72 -0.07 -1.09 2.12 -0.81 -4.87 118.70 113.28 1i8v s GLU 78 Ca 0.00 -1.71 0.01 0.00 0.36 0.00 0.00 54.97 53.62 1i8v s GLU 78 Cb 0.00 -5.17 0.02 0.00 0.26 0.00 0.00 34.13 29.25 1i8v s GLU 78 CO 0.00 -1.98 -0.07 -0.51 -0.54 0.00 0.00 175.26 172.16 1i8v s ASP 79 N 4.02 1.64 -0.04 -1.70 1.11 -1.26 -0.89 116.67 119.56 1i8v s ASP 79 Ca 0.41 -0.23 0.05 0.00 0.18 0.00 0.00 52.55 52.97 1i8v s ASP 79 Cb -0.02 -0.68 -0.02 0.00 1.07 0.00 0.00 42.92 43.27 1i8v s ASP 79 CO -0.06 -0.06 -0.19 -0.36 1.18 0.00 0.00 175.17 175.68 1i8v s PHE 80 N 1.21 2.57 -0.14 4.23 0.40 0.39 -1.12 117.98 125.53 1i8v s PHE 80 Ca -0.05 -0.30 -0.06 0.00 -0.60 0.00 0.00 56.93 55.92 1i8v s PHE 80 Cb -0.14 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.76 1i8v s PHE 80 CO -0.02 0.08 0.07 -0.47 0.70 0.00 0.00 175.22 175.57 1i8v s TYR 81 N -0.62 3.33 -0.05 0.36 6.14 0.06 -0.71 117.35 125.87 1i8v s TYR 81 Ca 0.09 0.24 0.04 0.00 0.64 0.00 0.00 57.07 58.09 1i8v s TYR 81 Cb -0.11 -1.95 -0.00 0.00 0.42 0.00 0.00 41.96 40.32 1i8v s TYR 81 CO 0.00 0.42 -0.16 -0.08 0.64 0.00 0.00 175.55 176.37 1i8v s THR 82 N -0.41 1.37 -1.91 4.34 -1.32 -0.58 -1.30 115.64 115.83 1i8v s THR 82 Ca 0.10 -0.67 0.16 0.00 -1.21 0.00 0.00 61.69 60.06 1i8v s THR 82 Cb -0.12 -1.18 0.18 0.00 -1.51 0.00 0.00 72.50 69.87 1i8v s THR 82 CO 0.02 0.40 1.07 0.61 -2.21 0.00 0.00 174.62 174.51 1i8v n GLY 83 N 3.23 0.59 2.03 6.08 0.00 -1.26 -1.12 105.19 114.74 1i8v n GLY 83 Ca -0.19 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.31 1i8v n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i8v n ASP 84 N 0.92 2.38 -3.57 1.61 3.85 -1.18 -4.41 116.55 116.14 1i8v n ASP 84 Ca 0.11 -2.75 -0.24 0.00 -0.71 0.00 0.00 54.79 51.20 1i8v n ASP 84 Cb 0.42 -0.41 0.05 0.00 -1.35 0.00 0.00 41.12 39.82 1i8v n ASP 84 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.20 177.76 1i8v n HIS 85 N -0.48 -2.06 -0.99 2.11 -0.00 -0.40 -2.94 115.22 110.46 1i8v n HIS 85 Ca 0.18 0.69 0.00 0.00 -0.00 0.00 0.00 57.72 58.60 1i8v n HIS 85 Cb 0.90 -3.96 0.00 0.00 -0.00 0.00 0.00 29.99 26.93 1i8v n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1i8v n TYR 86 N -3.97 0.00 -0.02 1.57 4.01 -1.26 -4.92 117.16 112.57 1i8v n TYR 86 Ca -0.16 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.42 1i8v n TYR 86 Cb 0.63 -0.15 -0.09 0.00 -0.31 0.00 0.00 39.34 39.42 1i8v n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1i8v h ALA 87 N 0.00 0.15 -2.67 -0.72 0.00 -1.95 -3.46 119.26 110.62 1i8v h ALA 87 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 54.91 54.12 1i8v h ALA 87 Cb 0.07 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.68 1i8v h ALA 87 CO 0.00 0.29 -0.73 0.95 0.00 0.00 0.00 179.25 179.77 1i8v s THR 88 N -3.59 0.88 0.02 0.00 -4.23 -1.26 -5.06 115.64 102.40 1i8v s THR 88 Ca -0.13 -1.66 0.01 0.00 -1.18 0.00 0.00 61.69 58.73 1i8v s THR 88 Cb 0.04 -1.37 -0.02 0.00 1.34 0.00 0.00 72.50 72.49 1i8v s THR 88 CO 0.80 -0.60 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.87 1i8v s PHE 89 N -2.58 0.41 0.02 3.99 0.40 -1.26 -4.40 117.98 114.55 1i8v s PHE 89 Ca 0.06 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.06 1i8v s PHE 89 Cb -0.02 -0.26 -0.02 0.00 0.51 0.00 0.00 43.02 43.23 1i8v s PHE 89 CO -0.01 -0.10 -0.18 -1.12 0.70 0.00 0.00 175.22 174.52 1i8v s SER 90 N -1.13 2.11 0.08 1.36 0.01 -0.42 -0.64 113.70 115.07 1i8v s SER 90 Ca -0.09 -0.41 -0.30 0.00 1.31 0.00 0.00 55.95 56.45 1i8v s SER 90 Cb -0.08 -0.20 -0.06 0.00 0.21 0.00 0.00 66.02 65.90 1i8v s SER 90 CO -0.00 0.16 1.19 -0.22 0.41 0.00 0.00 173.24 174.77 1i8v s LEU 91 N -0.81 4.39 -0.03 2.44 2.96 -0.37 -0.76 118.68 126.50 1i8v s LEU 91 Ca 0.06 2.03 -0.27 0.00 -0.22 0.00 0.00 54.13 55.73 1i8v s LEU 91 Cb -0.08 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1i8v s LEU 91 CO 0.01 -0.44 0.86 -0.63 -1.32 0.00 0.00 176.35 174.83 1i8v s ILE 92 N 0.88 4.94 -0.38 6.68 1.01 -0.27 -0.80 121.20 133.25 1i8v s ILE 92 Ca 0.57 1.80 -0.12 0.00 0.00 0.00 0.00 60.65 62.90 1i8v s ILE 92 Cb -0.30 -4.20 0.03 0.00 0.01 0.00 0.00 42.46 38.00 1i8v s ILE 92 CO 0.30 0.20 0.22 -0.62 0.00 0.00 0.00 174.94 175.05 1i8v s ASP 93 N 0.90 5.80 0.00 3.58 3.68 0.05 -4.79 116.67 125.89 1i8v s ASP 93 Ca 0.46 -0.97 0.25 0.00 2.13 0.00 0.00 52.55 54.42 1i8v s ASP 93 Cb -0.20 -2.05 1.39 0.00 -1.45 0.00 0.00 42.92 40.61 1i8v s ASP 93 CO 0.24 -0.39 1.91 0.00 0.13 0.00 0.00 175.17 177.05 1i8v n GLN 94 N 5.03 1.16 -0.07 4.34 6.02 -1.26 -1.28 117.38 131.31 1i8v n GLN 94 Ca -0.12 -0.23 0.12 0.00 -0.01 0.00 0.00 57.00 56.76 1i8v n GLN 94 Cb 0.46 -1.41 0.17 0.00 1.02 0.00 0.00 30.24 30.48 1i8v n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1i8v n THR 95 N -0.64 0.19 -1.01 5.09 -2.24 -1.26 -4.88 114.28 109.53 1i8v n THR 95 Ca 0.19 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1i8v n THR 95 Cb 0.15 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 1i8v n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50