#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8p h ALA 3 N 0.00 2.09 -0.42 -1.67 0.00 -1.84 -1.07 119.26 116.35 1i8p h ALA 3 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1i8p h ALA 3 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1i8p h ALA 3 CO 0.00 -0.19 -0.24 -0.22 0.00 0.00 0.00 179.25 178.59 1i8p h LYS 4 N 0.27 0.90 0.00 0.00 1.63 -1.95 -2.64 116.57 114.77 1i8p h LYS 4 Ca 0.21 -0.41 -0.09 0.00 -0.85 0.00 0.00 60.65 59.51 1i8p h LYS 4 Cb 0.49 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 1i8p h LYS 4 CO -0.04 1.06 -0.42 0.00 -3.45 0.00 0.00 179.45 176.60 1i8p h ALA 5 N 0.81 1.14 0.00 5.00 0.00 -1.79 -2.21 119.26 122.22 1i8p h ALA 5 Ca 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1i8p h ALA 5 Cb 0.82 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1i8p h ALA 5 CO 0.07 0.52 -0.07 0.78 0.00 0.00 0.00 179.25 180.55 1i8p h GLY 6 N 1.60 0.00 0.64 0.00 0.00 -0.87 -2.90 103.07 101.54 1i8p h GLY 6 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 1i8p h GLY 6 CO 0.05 0.00 0.63 0.83 0.00 0.00 0.00 176.54 178.05 1i8p h GLU 7 N 0.00 1.06 -0.35 4.80 5.08 -1.08 0.01 114.58 124.10 1i8p h GLU 7 Ca -0.00 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1i8p h GLU 7 Cb 0.22 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1i8p h GLU 7 CO 0.01 0.70 -0.23 0.00 -1.00 0.00 0.00 179.01 178.49 1i8p h ALA 8 N 1.48 0.49 -0.44 3.43 0.00 -1.66 -2.66 119.26 119.90 1i8p h ALA 8 Ca 0.45 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1i8p h ALA 8 Cb 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1i8p h ALA 8 CO -0.21 0.47 -0.09 0.28 0.00 0.00 0.00 179.25 179.71 1i8p h VAL 9 N 0.55 1.25 -0.03 0.00 2.07 -1.53 -2.60 116.25 115.95 1i8p h VAL 9 Ca 0.07 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.47 1i8p h VAL 9 Cb 0.79 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1i8p h VAL 9 CO 0.06 0.39 0.03 0.15 0.02 0.00 0.00 177.57 178.21 1i8p h PHE 10 N 0.70 0.00 -0.98 1.57 3.57 -0.66 -2.39 116.94 118.76 1i8p h PHE 10 Ca 0.12 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.80 1i8p h PHE 10 Cb 0.55 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.20 1i8p h PHE 10 CO 0.03 0.00 0.61 0.87 -2.23 0.00 0.00 178.31 177.59 1i8p h LYS 11 N 0.00 0.72 -0.48 1.11 1.57 -1.26 -1.26 116.57 116.97 1i8p h LYS 11 Ca 0.02 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1i8p h LYS 11 Cb 0.07 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1i8p h LYS 11 CO -0.00 0.47 0.04 1.96 -0.57 0.00 0.00 179.45 181.36 1i8p h GLN 12 N 0.74 0.82 0.00 3.15 4.20 -1.61 -2.76 115.11 119.65 1i8p h GLN 12 Ca 0.53 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 1i8p h GLN 12 Cb 0.86 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.55 1i8p h GLN 12 CO -0.31 0.85 -0.06 0.00 -0.67 0.00 0.00 178.83 178.64 1i8p n MET 14 N -3.97 0.06 0.03 0.00 2.81 -0.63 -0.87 117.12 114.55 1i8p n MET 14 Ca -0.03 0.34 0.07 0.00 -1.81 0.00 0.00 57.70 56.27 1i8p n MET 14 Cb 0.15 -1.63 0.48 0.00 -0.71 0.00 0.00 33.22 31.51 1i8p n MET 14 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1i8p h THR 15 N 0.00 1.04 0.00 2.03 2.02 -1.36 -3.34 112.91 113.30 1i8p h THR 15 Ca 0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1i8p h THR 15 Cb 0.25 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1i8p h THR 15 CO 0.00 0.08 -0.42 0.00 0.37 0.00 0.00 175.52 175.55 1i8p s HIS 17 N -1.13 2.24 0.25 0.00 3.76 -0.05 -1.08 115.29 119.28 1i8p s HIS 17 Ca 0.00 -0.39 0.08 0.00 -0.15 0.00 0.00 55.06 54.60 1i8p s HIS 17 Cb 0.00 -1.23 -0.05 0.00 1.11 0.00 0.00 32.58 32.41 1i8p s HIS 17 CO 0.00 0.30 -0.12 1.03 -0.85 0.00 0.00 174.74 175.10 1i8p s ARG 18 N -1.95 1.49 0.01 1.40 0.52 -1.26 -4.11 118.95 115.05 1i8p s ARG 18 Ca 0.13 -1.71 -0.25 0.00 -0.52 0.00 0.00 55.73 53.38 1i8p s ARG 18 Cb -0.10 -1.28 -0.17 0.00 0.52 0.00 0.00 34.95 33.92 1i8p s ARG 18 CO 0.05 0.16 1.26 0.00 0.02 0.00 0.00 175.30 176.79 1i8p h ALA 19 N 2.39 -0.35 -0.01 2.13 0.00 -1.94 -1.37 119.26 120.09 1i8p h ALA 19 Ca -0.39 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1i8p h ALA 19 Cb 1.23 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1i8p h ALA 19 CO 0.64 -0.53 -0.56 -0.25 0.00 0.00 0.00 179.25 178.55 1i8p n ASP 20 N -5.10 1.70 -4.04 0.00 8.00 -1.26 -1.03 116.55 114.81 1i8p n ASP 20 Ca -0.09 -1.35 -0.08 0.00 0.71 0.00 0.00 54.79 53.98 1i8p n ASP 20 Cb 0.25 0.60 -0.10 0.00 -0.02 0.00 0.00 41.12 41.85 1i8p n ASP 20 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1i8p s LYS 21 N -2.47 0.54 0.64 -1.24 -2.85 -1.26 -4.99 119.74 108.10 1i8p s LYS 21 Ca 0.15 -1.02 -0.13 0.00 -1.00 0.00 0.00 55.97 53.97 1i8p s LYS 21 Cb 0.16 0.19 -0.02 0.00 -2.06 0.00 0.00 37.83 36.10 1i8p s LYS 21 CO 0.60 -0.10 1.05 -0.80 0.10 0.00 0.00 175.35 176.20 1i8p s ASN 22 N -2.47 5.65 0.00 0.03 0.01 -1.26 -3.77 114.94 113.13 1i8p s ASN 22 Ca -0.00 1.71 0.00 0.00 -0.71 0.00 0.00 52.86 53.86 1i8p s ASN 22 Cb 0.02 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.17 1i8p s ASN 22 CO -0.07 -1.26 0.00 0.80 -1.51 0.00 0.00 177.10 175.06 1i8p n MET 23 N -2.51 0.00 -0.20 -0.60 1.56 -1.26 -4.90 117.12 109.21 1i8p n MET 23 Ca 0.08 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.45 1i8p n MET 23 Cb 0.53 0.00 0.03 0.00 2.15 0.00 0.00 33.22 35.93 1i8p n MET 23 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1i8p h VAL 24 N 0.00 1.15 -1.72 1.12 2.07 -1.87 -3.43 116.25 113.57 1i8p h VAL 24 Ca 0.00 -0.28 -0.54 0.00 0.82 0.00 0.00 66.70 66.70 1i8p h VAL 24 Cb 0.00 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 30.01 1i8p h VAL 24 CO 0.00 0.14 -0.50 -0.83 0.02 0.00 0.00 177.57 176.41 1i8p s GLY 25 N -2.73 2.12 0.69 2.17 0.00 -0.24 -5.05 107.32 104.28 1i8p s GLY 25 Ca -0.13 -1.94 -0.16 0.00 0.00 0.00 0.00 44.72 42.49 1i8p s GLY 25 CO 0.75 -1.81 1.19 2.56 0.00 0.00 0.00 173.10 175.79 1i8p s PRO 26 N -3.91 2.44 0.35 2.90 0.04 -1.26 -4.68 135.00 130.87 1i8p s PRO 26 Ca 0.40 1.70 -0.27 0.00 0.04 0.00 0.00 61.00 62.87 1i8p s PRO 26 Cb -0.00 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.54 1i8p s PRO 26 CO 0.23 -1.59 1.22 0.00 0.04 0.00 0.00 177.00 176.90 1i8p n ALA 27 N -2.44 0.98 0.52 8.56 0.00 -1.25 -4.59 120.51 122.29 1i8p n ALA 27 Ca 0.13 0.34 0.06 0.00 0.00 0.00 0.00 53.44 53.97 1i8p n ALA 27 Cb 0.50 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.73 1i8p n ALA 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1i8p n LEU 28 N 0.74 1.14 -4.73 0.00 4.77 -0.52 -4.82 117.00 113.58 1i8p n LEU 28 Ca 0.06 -0.71 -0.42 0.00 -0.03 0.00 0.00 56.01 54.92 1i8p n LEU 28 Cb 0.36 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1i8p n LEU 28 CO 0.61 0.23 1.20 0.00 -1.33 0.00 0.00 177.39 178.10 1i8p s ALA 29 N -1.62 3.74 0.00 -1.18 0.00 -0.20 -1.43 121.76 121.06 1i8p s ALA 29 Ca 0.08 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1i8p s ALA 29 Cb 0.09 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1i8p s ALA 29 CO 0.33 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.71 1i8p n GLY 30 N 3.21 0.70 0.16 0.00 0.00 0.64 -4.93 105.19 104.97 1i8p n GLY 30 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1i8p n GLY 30 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1i8p h VAL 31 N 0.00 1.36 -3.26 1.61 3.04 -1.47 -3.34 116.25 114.19 1i8p h VAL 31 Ca 0.00 -1.74 -0.56 0.00 -1.01 0.00 0.00 66.70 63.38 1i8p h VAL 31 Cb 0.00 1.93 -0.06 0.00 -2.01 0.00 0.00 31.29 31.15 1i8p h VAL 31 CO 0.00 0.50 1.06 -0.69 -1.01 0.00 0.00 177.57 177.43 1i8p s VAL 32 N -3.88 3.92 0.00 1.51 1.01 -1.26 -1.68 120.40 120.01 1i8p s VAL 32 Ca -0.02 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1i8p s VAL 32 Cb 0.13 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1i8p s VAL 32 CO 0.75 -0.87 0.00 0.61 0.00 0.00 0.00 175.10 175.59 1i8p n GLY 33 N 5.09 1.18 3.70 4.51 0.00 0.11 -5.00 105.19 114.77 1i8p n GLY 33 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1i8p n GLY 33 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i8p s ARG 34 N -0.59 3.07 0.32 1.61 3.52 -0.68 -4.82 118.95 121.38 1i8p s ARG 34 Ca 0.00 -0.38 -0.29 0.00 -0.13 0.00 0.00 55.73 54.93 1i8p s ARG 34 Cb 0.00 -2.85 -0.11 0.00 -1.56 0.00 0.00 34.95 30.43 1i8p s ARG 34 CO 0.00 0.69 1.57 1.17 -0.81 0.00 0.00 175.30 177.92 1i8p n LYS 35 N 2.19 2.70 -1.74 5.12 4.81 -1.26 -1.26 118.16 128.72 1i8p n LYS 35 Ca -0.19 0.96 -0.39 0.00 -0.87 0.00 0.00 58.31 57.82 1i8p n LYS 35 Cb 0.54 -2.73 0.04 0.00 0.02 0.00 0.00 35.03 32.90 1i8p n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1i8p n ALA 36 N 1.63 1.64 -2.83 3.14 0.00 0.36 -3.39 120.51 121.05 1i8p n ALA 36 Ca 0.06 0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.54 1i8p n ALA 36 Cb 0.37 -2.35 0.03 0.00 0.00 0.00 0.00 19.45 17.50 1i8p n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i8p n GLY 37 N 0.73 0.09 0.29 0.00 0.00 -1.26 -4.02 105.19 101.02 1i8p n GLY 37 Ca 0.09 -0.25 0.02 0.00 0.00 0.00 0.00 46.02 45.88 1i8p n GLY 37 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i8p n THR 38 N -3.88 0.44 -1.99 2.61 -2.24 -1.22 -4.90 114.28 103.11 1i8p n THR 38 Ca -0.03 -0.52 -0.41 0.00 -2.27 0.00 0.00 64.05 60.82 1i8p n THR 38 Cb 0.55 0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 69.20 1i8p n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i8p s ALA 39 N -0.64 3.64 0.22 6.98 0.00 -1.26 -4.89 121.76 125.81 1i8p s ALA 39 Ca 0.06 1.35 -0.32 0.00 0.00 0.00 0.00 51.96 53.06 1i8p s ALA 39 Cb 0.06 -3.57 -0.13 0.00 0.00 0.00 0.00 23.12 19.48 1i8p s ALA 39 CO 0.01 -0.77 1.63 0.00 0.00 0.00 0.00 175.76 176.63 1i8p n ALA 40 N 2.37 2.24 -0.53 0.00 0.00 -1.26 -2.30 120.51 121.03 1i8p n ALA 40 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1i8p n ALA 40 Cb 0.40 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.41 1i8p n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i8p n GLY 41 N 3.29 1.74 3.86 0.00 0.00 -1.26 -4.94 105.19 107.87 1i8p n GLY 41 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1i8p n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i8p s PHE 42 N -3.46 3.66 -0.45 1.61 5.36 -0.97 -5.05 117.98 118.69 1i8p s PHE 42 Ca 0.00 0.79 -0.18 0.00 -0.96 0.00 0.00 56.93 56.58 1i8p s PHE 42 Cb 0.00 -2.14 0.03 0.00 -0.34 0.00 0.00 43.02 40.57 1i8p s PHE 42 CO 0.00 0.66 0.51 0.99 -1.46 0.00 0.00 175.22 175.92 1i8p s THR 43 N -1.12 5.01 0.47 0.12 2.01 -1.26 -4.83 115.64 116.03 1i8p s THR 43 Ca 0.23 -0.36 -0.00 0.00 0.31 0.00 0.00 61.69 61.86 1i8p s THR 43 Cb -0.15 -4.13 -0.00 0.00 0.01 0.00 0.00 72.50 68.23 1i8p s THR 43 CO 0.11 -0.55 0.70 -0.31 -0.69 0.00 0.00 174.62 173.89 1i8p s TYR 44 N 2.32 3.22 0.76 4.92 2.02 -1.26 -5.08 117.35 124.25 1i8p s TYR 44 Ca 0.14 0.28 -0.14 0.00 -0.37 0.00 0.00 57.07 56.98 1i8p s TYR 44 Cb -0.18 -2.38 0.06 0.00 -0.40 0.00 0.00 41.96 39.06 1i8p s TYR 44 CO 0.14 -0.43 1.19 -1.54 -1.57 0.00 0.00 175.55 173.33 1i8p s SER 45 N -4.23 4.00 0.26 2.29 1.04 -1.26 -4.81 113.70 110.99 1i8p s SER 45 Ca 0.49 2.29 -0.03 0.00 0.48 0.00 0.00 55.95 59.18 1i8p s SER 45 Cb -0.10 -2.58 0.41 0.00 0.10 0.00 0.00 66.02 63.85 1i8p s SER 45 CO 0.39 -2.39 1.86 -0.65 0.98 0.00 0.00 173.24 173.43 1i8p h PRO 46 N -0.62 1.03 -0.48 4.02 0.11 -1.98 0.33 132.00 134.42 1i8p h PRO 46 Ca -0.47 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 65.62 1i8p h PRO 46 Cb 1.29 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 1i8p h PRO 46 CO 0.48 0.68 0.25 1.25 -0.21 0.00 0.00 178.00 180.46 1i8p h LEU 47 N 1.07 0.37 -0.02 2.35 5.85 -1.83 0.62 115.31 123.72 1i8p h LEU 47 Ca 0.43 0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.97 1i8p h LEU 47 Cb 0.24 -0.05 0.02 0.00 0.37 0.00 0.00 40.66 41.24 1i8p h LEU 47 CO -0.20 0.26 -0.76 -1.13 -0.34 0.00 0.00 178.44 176.27 1i8p h ASN 48 N 0.49 0.70 -0.54 1.25 -0.73 -1.82 -1.83 115.58 113.10 1i8p h ASN 48 Ca 0.21 -0.74 -0.04 0.00 1.87 0.00 0.00 56.30 57.61 1i8p h ASN 48 Cb 0.10 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.45 1i8p h ASN 48 CO -0.14 1.34 0.22 -0.74 -0.37 0.00 0.00 177.43 177.74 1i8p h HIS 49 N 0.12 0.85 -0.06 0.67 2.76 -0.67 -2.06 115.15 116.77 1i8p h HIS 49 Ca -0.09 -0.05 -0.16 0.00 -2.20 0.00 0.00 60.37 57.87 1i8p h HIS 49 Cb 1.44 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 30.13 1i8p h HIS 49 CO 0.13 0.67 -0.65 -0.91 -1.30 0.00 0.00 177.93 175.87 1i8p h ASN 50 N 0.83 0.28 -0.39 3.26 2.35 0.30 -2.27 115.58 119.94 1i8p h ASN 50 Ca 0.20 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1i8p h ASN 50 Cb 0.19 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1i8p h ASN 50 CO -0.02 0.85 0.25 0.28 -1.65 0.00 0.00 177.43 177.15 1i8p h SER 51 N 0.17 0.45 -0.69 5.81 0.02 -0.78 -0.70 113.55 117.84 1i8p h SER 51 Ca -0.01 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 1i8p h SER 51 Cb 1.18 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 1i8p h SER 51 CO 0.10 0.34 0.27 1.23 -1.14 0.00 0.00 176.83 177.63 1i8p h GLY 52 N 0.53 1.11 2.00 -3.77 0.00 -1.28 -2.23 103.07 99.42 1i8p h GLY 52 Ca 0.14 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 1i8p h GLY 52 CO -0.03 0.58 -0.20 0.83 0.00 0.00 0.00 176.54 177.71 1i8p h GLU 53 N 0.98 0.00 -0.00 4.80 4.39 -1.21 0.59 114.58 124.14 1i8p h GLU 53 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1i8p h GLU 53 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1i8p h GLU 53 CO -0.02 0.20 0.00 0.00 -1.16 0.00 0.00 179.01 178.04 1i8p n ALA 54 N -2.39 2.65 0.00 3.43 0.00 -0.29 -4.90 120.51 119.02 1i8p n ALA 54 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1i8p n ALA 54 Cb 0.29 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1i8p n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i8p n GLY 55 N 0.92 1.24 3.67 0.00 0.00 0.20 -5.07 105.19 106.14 1i8p n GLY 55 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1i8p n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i8p s LEU 56 N 0.00 4.36 -0.10 0.99 2.96 -0.88 -4.96 118.68 121.06 1i8p s LEU 56 Ca 0.00 2.41 0.03 0.00 -0.22 0.00 0.00 54.13 56.35 1i8p s LEU 56 Cb 0.00 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 1i8p s LEU 56 CO 0.00 -0.95 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.18 1i8p s VAL 57 N 3.83 2.35 0.18 1.68 1.01 -1.26 -0.49 120.40 127.69 1i8p s VAL 57 Ca 0.78 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 1i8p s VAL 57 Cb -0.37 -1.92 -0.08 0.00 0.00 0.00 0.00 36.38 34.01 1i8p s VAL 57 CO 0.33 0.55 1.20 0.26 0.00 0.00 0.00 175.10 177.44 1i8p s TRP 58 N 0.28 3.43 0.40 5.22 0.52 -0.39 -4.91 118.94 123.49 1i8p s TRP 58 Ca -0.15 1.42 0.04 0.00 0.02 0.00 0.00 56.10 57.43 1i8p s TRP 58 Cb -0.17 -3.43 -0.02 0.00 -1.15 0.00 0.00 33.47 28.70 1i8p s TRP 58 CO 0.07 -1.20 0.16 0.95 0.02 0.00 0.00 176.95 176.95 1i8p s THR 59 N 0.00 0.46 0.34 2.01 -4.23 -1.26 0.04 115.64 113.00 1i8p s THR 59 Ca 0.53 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.23 1i8p s THR 59 Cb -0.32 -2.36 0.17 0.00 1.34 0.00 0.00 72.50 71.32 1i8p s THR 59 CO 0.36 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 176.33 1i8p h ALA 60 N 1.85 1.28 0.22 3.99 0.00 -1.95 -2.44 119.26 122.21 1i8p h ALA 60 Ca -0.33 -0.26 -0.30 0.00 0.00 0.00 0.00 54.91 54.02 1i8p h ALA 60 Cb 1.27 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 19.05 1i8p h ALA 60 CO 0.52 0.36 -1.30 -0.44 0.00 0.00 0.00 179.25 178.39 1i8p h ASP 61 N 0.00 0.75 0.88 0.00 3.32 -2.00 -3.37 116.42 116.00 1i8p h ASP 61 Ca -0.00 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.12 1i8p h ASP 61 Cb 0.60 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1i8p h ASP 61 CO 0.04 1.63 -0.74 -0.55 -1.72 0.00 0.00 179.24 177.89 1i8p h ASN 62 N 0.00 0.00 0.12 6.45 7.08 -1.87 -3.31 115.58 124.06 1i8p h ASN 62 Ca -0.23 -0.17 -0.11 0.00 -3.08 0.00 0.00 56.30 52.71 1i8p h ASN 62 Cb 2.03 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 38.25 1i8p h ASN 62 CO 0.24 0.09 -0.38 0.40 -2.08 0.00 0.00 177.43 175.70 1i8p h ILE 63 N 0.00 1.30 0.01 6.14 2.04 -1.61 -2.77 117.51 122.61 1i8p h ILE 63 Ca 0.00 -1.48 0.02 0.00 1.00 0.00 0.00 64.86 64.40 1i8p h ILE 63 Cb 0.81 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 1i8p h ILE 63 CO 0.00 0.45 -0.49 0.58 0.00 0.00 0.00 178.15 178.69 1i8p h VAL 64 N 0.30 0.00 -0.41 1.67 2.07 -1.73 -1.08 116.25 117.07 1i8p h VAL 64 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1i8p h VAL 64 Cb 0.81 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1i8p h VAL 64 CO 0.06 0.00 0.09 1.55 0.02 0.00 0.00 177.57 179.29 1i8p h PRO 65 N -0.63 0.62 -0.71 1.57 0.13 -1.75 -2.59 132.00 128.64 1i8p h PRO 65 Ca 0.01 -0.11 0.10 0.00 -0.87 0.00 0.00 66.00 65.12 1i8p h PRO 65 Cb 0.67 -0.10 -0.07 0.00 0.13 0.00 0.00 31.00 31.62 1i8p h PRO 65 CO -0.33 0.58 0.35 -0.92 -0.23 0.00 0.00 178.00 177.45 1i8p h TYR 66 N 0.60 0.62 0.00 1.56 3.20 -1.18 -2.77 116.97 119.01 1i8p h TYR 66 Ca 0.14 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 1i8p h TYR 66 Cb 0.25 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1i8p h TYR 66 CO 0.01 0.21 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.44 1i8p h LEU 67 N 0.59 0.00 -1.09 2.82 3.38 -0.79 -1.39 115.31 118.83 1i8p h LEU 67 Ca 0.36 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.28 1i8p h LEU 67 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1i8p h LEU 67 CO -0.28 0.24 0.09 0.00 0.09 0.00 0.00 178.44 178.58 1i8p h ALA 68 N 1.76 1.26 -0.78 1.53 0.00 -1.49 -1.68 119.26 119.86 1i8p h ALA 68 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1i8p h ALA 68 Cb 0.52 -0.20 -0.18 0.00 0.00 0.00 0.00 17.79 17.93 1i8p h ALA 68 CO 0.03 0.51 -0.36 0.34 0.00 0.00 0.00 179.25 179.77 1i8p s ASP 69 N -6.63 -1.20 0.16 0.00 -1.08 -0.62 -4.43 116.67 102.87 1i8p s ASP 69 Ca -0.09 -0.63 -0.17 0.00 -0.52 0.00 0.00 52.55 51.14 1i8p s ASP 69 Cb 0.15 1.54 0.09 0.00 -1.46 0.00 0.00 42.92 43.25 1i8p s ASP 69 CO 0.79 -0.13 1.68 -0.65 0.52 0.00 0.00 175.17 177.38 1i8p h PRO 70 N 6.52 0.02 0.29 4.34 0.11 -1.54 -1.17 132.00 140.57 1i8p h PRO 70 Ca 0.03 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1i8p h PRO 70 Cb 1.19 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1i8p h PRO 70 CO 0.05 0.02 -0.16 -0.91 -0.21 0.00 0.00 178.00 176.78 1i8p h ASN 71 N 0.02 -0.41 -0.69 -2.05 2.35 -1.91 -2.22 115.58 110.68 1i8p h ASN 71 Ca 0.19 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.99 1i8p h ASN 71 Cb 0.28 0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 1i8p h ASN 71 CO -0.38 -0.27 0.43 0.00 -1.65 0.00 0.00 177.43 175.56 1i8p h ALA 72 N 0.28 0.90 0.09 -0.83 0.00 -1.87 -0.33 119.26 117.49 1i8p h ALA 72 Ca -0.03 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1i8p h ALA 72 Cb 0.35 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1i8p h ALA 72 CO 0.04 0.21 -0.20 0.35 0.00 0.00 0.00 179.25 179.65 1i8p h PHE 73 N 0.85 -0.51 -0.38 0.00 3.57 -1.19 -2.00 116.94 117.28 1i8p h PHE 73 Ca 0.27 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.63 1i8p h PHE 73 Cb 0.01 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1i8p h PHE 73 CO -0.04 -0.28 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.33 1i8p h LEU 74 N -0.37 0.97 -0.78 0.59 3.38 -1.06 -1.78 115.31 116.27 1i8p h LEU 74 Ca 0.03 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1i8p h LEU 74 Cb 0.39 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1i8p h LEU 74 CO -0.12 1.23 0.44 0.11 0.09 0.00 0.00 178.44 180.20 1i8p h LYS 75 N 0.73 1.08 -0.40 1.13 1.57 -1.08 -2.30 116.57 117.30 1i8p h LYS 75 Ca 0.06 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1i8p h LYS 75 Cb 0.95 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1i8p h LYS 75 CO 0.09 0.78 -0.15 -0.22 -0.57 0.00 0.00 179.45 179.38 1i8p h LYS 76 N 1.07 0.81 -0.28 3.15 3.64 -1.32 -1.56 116.57 122.09 1i8p h LYS 76 Ca 0.28 -0.34 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1i8p h LYS 76 Cb 0.01 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 1i8p h LYS 76 CO -0.05 0.96 -0.06 0.35 -2.27 0.00 0.00 179.45 178.39 1i8p h PHE 77 N 0.62 -0.12 -0.38 1.91 3.57 -1.21 -0.45 116.94 120.88 1i8p h PHE 77 Ca 0.09 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 1i8p h PHE 77 Cb 0.70 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1i8p h PHE 77 CO 0.05 -0.11 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.84 1i8p h LEU 78 N 0.01 0.66 -0.39 0.59 3.38 -1.41 -2.19 115.31 115.96 1i8p h LEU 78 Ca 0.13 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1i8p h LEU 78 Cb 0.20 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1i8p h LEU 78 CO -0.27 0.81 0.17 0.74 0.09 0.00 0.00 178.44 179.97 1i8p h THR 79 N 0.62 1.19 -0.28 0.22 2.02 -1.08 0.38 112.91 115.97 1i8p h THR 79 Ca 0.11 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 1i8p h THR 79 Cb 0.56 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1i8p h THR 79 CO 0.03 0.20 0.11 -0.33 0.37 0.00 0.00 175.52 175.91 1i8p h GLU 80 N 0.48 0.39 -0.05 6.66 5.08 -0.85 -0.78 114.58 125.52 1i8p h GLU 80 Ca 0.13 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1i8p h GLU 80 Cb 0.16 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1i8p h GLU 80 CO -0.01 0.32 0.00 1.63 -1.00 0.00 0.00 179.01 179.95 1i8p n LYS 81 N -4.42 1.18 -1.25 2.33 4.76 -0.84 -4.88 118.16 115.03 1i8p n LYS 81 Ca 0.01 -0.27 -0.01 0.00 -2.87 0.00 0.00 58.31 55.17 1i8p n LYS 81 Cb 0.13 -1.27 -0.00 0.00 -1.84 0.00 0.00 35.03 32.04 1i8p n LYS 81 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i8p n GLY 82 N 0.83 0.43 2.46 0.72 0.00 -0.30 -4.94 105.19 104.39 1i8p n GLY 82 Ca 0.12 -1.00 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 1i8p n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i8p n LYS 83 N -2.55 2.63 -0.21 1.61 5.02 0.08 -4.89 118.16 119.86 1i8p n LYS 83 Ca -0.01 -3.91 0.07 0.00 -2.02 0.00 0.00 58.31 52.44 1i8p n LYS 83 Cb 0.14 -1.91 0.35 0.00 -0.02 0.00 0.00 35.03 33.59 1i8p n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i8p h ALA 84 N 2.53 1.71 0.00 7.82 0.00 -1.80 -1.47 119.26 128.05 1i8p h ALA 84 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1i8p h ALA 84 Cb 1.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1i8p h ALA 84 CO 0.58 0.15 0.00 0.38 0.00 0.00 0.00 179.25 180.37 1i8p h ASP 85 N 0.77 0.00 0.43 0.00 2.03 -1.92 -1.67 116.42 116.06 1i8p h ASP 85 Ca 0.34 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.64 1i8p h ASP 85 Cb 0.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 1i8p h ASP 85 CO -0.12 0.00 -0.11 0.00 -1.03 0.00 0.00 179.24 177.97 1i8p n GLN 86 N -3.08 0.58 -1.71 4.15 6.02 -0.55 -4.24 117.38 118.55 1i8p n GLN 86 Ca -0.01 -0.18 -0.30 0.00 -0.01 0.00 0.00 57.00 56.50 1i8p n GLN 86 Cb 0.17 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 29.98 1i8p n GLN 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i8p n ALA 87 N -1.05 5.70 0.34 -1.58 0.00 -0.63 -4.66 120.51 118.63 1i8p n ALA 87 Ca 0.13 -3.67 0.11 0.00 0.00 0.00 0.00 53.44 50.01 1i8p n ALA 87 Cb 0.28 -1.07 -0.15 0.00 0.00 0.00 0.00 19.45 18.51 1i8p n ALA 87 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1i8p n VAL 88 N -0.80 0.01 -0.79 0.00 0.24 -1.26 -4.81 118.33 110.92 1i8p n VAL 88 Ca 0.53 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.51 1i8p n VAL 88 Cb 0.79 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 1i8p n VAL 88 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1i8p n GLY 89 N 1.34 0.68 3.26 7.63 0.00 -1.26 -5.13 105.19 111.72 1i8p n GLY 89 Ca -0.01 -1.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.07 1i8p n GLY 89 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1i8p s VAL 90 N 1.02 1.30 0.71 1.61 -7.23 -1.26 -4.93 120.40 111.61 1i8p s VAL 90 Ca 0.00 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 58.05 1i8p s VAL 90 Cb 0.00 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 35.15 1i8p s VAL 90 CO 0.00 -0.65 1.07 0.28 -0.31 0.00 0.00 175.10 175.48 1i8p s THR 91 N -3.01 3.91 -0.06 5.32 -1.32 -1.26 -4.67 115.64 114.56 1i8p s THR 91 Ca 0.16 0.62 0.28 0.00 -1.21 0.00 0.00 61.69 61.55 1i8p s THR 91 Cb 0.00 -3.32 0.34 0.00 -1.51 0.00 0.00 72.50 68.01 1i8p s THR 91 CO 0.02 -0.81 1.83 0.11 -2.21 0.00 0.00 174.62 173.57 1i8p h LYS 92 N -0.77 0.00 -6.06 7.08 1.57 -1.98 -3.43 116.57 112.99 1i8p h LYS 92 Ca -0.44 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.83 1i8p h LYS 92 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 1i8p h LYS 92 CO 0.56 0.05 1.33 1.41 -0.57 0.00 0.00 179.45 182.23 1i8p s MET 93 N -3.51 2.80 -0.98 3.15 1.75 -1.26 -4.91 119.30 116.34 1i8p s MET 93 Ca 0.03 0.78 -0.02 0.00 -1.25 0.00 0.00 55.69 55.23 1i8p s MET 93 Cb 0.08 -4.34 0.30 0.00 2.84 0.00 0.00 34.83 33.71 1i8p s MET 93 CO 0.60 -2.52 1.34 0.25 -0.65 0.00 0.00 175.02 174.04 1i8p n THR 94 N 7.25 4.74 -3.59 10.11 -2.24 -1.26 -4.92 114.28 124.36 1i8p n THR 94 Ca 0.21 -5.80 -0.16 0.00 -2.27 0.00 0.00 64.05 56.03 1i8p n THR 94 Cb 0.51 -2.06 -0.07 0.00 -2.10 0.00 0.00 70.33 66.61 1i8p n THR 94 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1i8p s PHE 95 N -2.80 -0.71 0.04 4.78 2.19 -1.26 -5.17 117.98 115.05 1i8p s PHE 95 Ca 0.33 1.54 -0.01 0.00 0.33 0.00 0.00 56.93 59.12 1i8p s PHE 95 Cb 0.08 0.32 -0.03 0.00 -1.31 0.00 0.00 43.02 42.08 1i8p s PHE 95 CO 0.08 -0.47 -0.01 0.15 1.83 0.00 0.00 175.22 176.80 1i8p s LYS 96 N -0.29 0.50 -0.20 10.12 1.02 -1.26 -4.73 119.74 124.89 1i8p s LYS 96 Ca -0.05 -0.92 -0.02 0.00 0.02 0.00 0.00 55.97 55.00 1i8p s LYS 96 Cb -0.03 0.18 0.06 0.00 -0.52 0.00 0.00 37.83 37.52 1i8p s LYS 96 CO 0.05 -0.10 0.03 -1.17 -0.92 0.00 0.00 175.35 173.24 1i8p s LEU 97 N -2.26 1.39 0.08 3.17 2.96 -0.63 -5.03 118.68 118.36 1i8p s LEU 97 Ca -0.03 -0.90 -0.09 0.00 -0.22 0.00 0.00 54.13 52.89 1i8p s LEU 97 Cb -0.00 -0.67 -0.22 0.00 0.50 0.00 0.00 46.19 45.79 1i8p s LEU 97 CO -0.06 -0.30 1.18 0.00 -1.32 0.00 0.00 176.35 175.85 1i8p h ALA 98 N 8.20 0.14 -2.26 5.97 0.00 -1.86 -3.32 119.26 126.14 1i8p h ALA 98 Ca -0.16 -0.78 -0.55 0.00 0.00 0.00 0.00 54.91 53.42 1i8p h ALA 98 Cb 1.11 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1i8p h ALA 98 CO 0.35 0.80 1.11 1.21 0.00 0.00 0.00 179.25 182.72 1i8p s ASN 99 N -7.25 6.61 0.23 0.00 3.84 -1.26 -4.91 114.94 112.20 1i8p s ASN 99 Ca -0.07 2.25 -0.08 0.00 0.21 0.00 0.00 52.86 55.18 1i8p s ASN 99 Cb 0.07 -2.53 0.21 0.00 -0.55 0.00 0.00 41.25 38.44 1i8p s ASN 99 CO 0.90 -0.97 1.88 -0.08 -2.79 0.00 0.00 177.10 176.04 1i8p h GLU 100 N 9.79 1.21 -0.60 0.43 4.81 -1.99 -2.42 114.58 125.81 1i8p h GLU 100 Ca -0.40 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 58.61 1i8p h GLU 100 Cb 1.18 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 1i8p h GLU 100 CO 0.95 0.85 -0.03 0.37 -0.73 0.00 0.00 179.01 180.43 1i8p h GLN 101 N 1.23 1.08 -0.46 1.92 5.75 -1.99 -1.50 115.11 121.14 1i8p h GLN 101 Ca 0.32 -0.36 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1i8p h GLN 101 Cb -0.05 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 1i8p h GLN 101 CO -0.06 1.06 0.14 1.96 -2.65 0.00 0.00 178.83 179.28 1i8p h GLN 102 N 0.98 0.67 -0.28 1.69 4.20 -1.92 -1.26 115.11 119.18 1i8p h GLN 102 Ca 0.17 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.68 1i8p h GLN 102 Cb 0.60 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1i8p h GLN 102 CO 0.04 0.59 -0.15 0.00 -0.67 0.00 0.00 178.83 178.63 1i8p h ARG 103 N 0.66 0.59 -0.81 1.46 3.08 -1.01 -1.43 114.38 116.93 1i8p h ARG 103 Ca 0.15 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1i8p h ARG 103 Cb 0.20 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1i8p h ARG 103 CO -0.01 0.84 0.42 0.87 -1.07 0.00 0.00 179.97 181.02 1i8p h LYS 104 N 0.33 1.14 -0.30 0.04 1.57 -1.13 -1.99 116.57 116.24 1i8p h LYS 104 Ca 0.06 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.54 1i8p h LYS 104 Cb 0.67 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1i8p h LYS 104 CO 0.04 0.86 -0.41 -0.44 -0.57 0.00 0.00 179.45 178.93 1i8p h ASP 105 N 1.13 0.88 -0.21 0.86 3.32 -1.13 -0.78 116.42 120.49 1i8p h ASP 105 Ca 0.28 -0.50 -0.10 0.00 0.02 0.00 0.00 57.03 56.72 1i8p h ASP 105 Cb 0.07 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1i8p h ASP 105 CO -0.04 1.21 -0.21 1.62 -1.72 0.00 0.00 179.24 180.09 1i8p h VAL 106 N 0.57 1.27 -0.60 -1.35 3.04 -1.20 -1.52 116.25 116.46 1i8p h VAL 106 Ca 0.03 -1.28 -0.03 0.00 -1.01 0.00 0.00 66.70 64.41 1i8p h VAL 106 Cb 1.01 1.23 -0.03 0.00 -2.01 0.00 0.00 31.29 31.50 1i8p h VAL 106 CO 0.10 0.42 0.24 0.58 -1.01 0.00 0.00 177.57 177.90 1i8p h VAL 107 N 0.59 1.21 -0.47 1.51 2.07 -1.16 0.14 116.25 120.13 1i8p h VAL 107 Ca 0.09 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 1i8p h VAL 107 Cb 0.69 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1i8p h VAL 107 CO 0.05 0.26 -0.03 0.00 0.02 0.00 0.00 177.57 177.87 1i8p h ALA 108 N 1.41 1.06 -0.51 1.67 0.00 -0.78 -1.62 119.26 120.49 1i8p h ALA 108 Ca 0.20 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1i8p h ALA 108 Cb 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1i8p h ALA 108 CO -0.02 0.58 0.14 -0.92 0.00 0.00 0.00 179.25 179.03 1i8p h TYR 109 N 0.74 0.85 -0.86 0.00 3.20 -0.66 -3.08 116.97 117.16 1i8p h TYR 109 Ca 0.14 -0.10 0.07 0.00 3.14 0.00 0.00 58.73 61.98 1i8p h TYR 109 Cb 0.49 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.46 1i8p h TYR 109 CO 0.03 0.75 0.53 -0.07 -1.64 0.00 0.00 178.16 177.75 1i8p h LEU 110 N 0.71 0.82 -2.64 2.82 3.38 -0.24 -1.44 115.31 118.71 1i8p h LEU 110 Ca 0.16 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1i8p h LEU 110 Cb 0.32 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1i8p h LEU 110 CO -0.00 0.51 0.00 0.00 0.09 0.00 0.00 178.44 179.04 1i8p h ALA 111 N 1.41 1.00 -0.01 1.53 0.00 -1.22 0.65 119.26 122.62 1i8p h ALA 111 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1i8p h ALA 111 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1i8p h ALA 111 CO -0.18 0.00 -0.19 0.25 0.00 0.00 0.00 179.25 179.12 1i8p n THR 112 N -2.92 0.00 -2.85 0.00 -2.24 -0.55 -4.63 114.28 101.09 1i8p n THR 112 Ca -0.03 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.13 1i8p n THR 112 Cb 0.07 0.57 -0.02 0.00 -2.10 0.00 0.00 70.33 68.85 1i8p n THR 112 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1i8p s LEU 113 N -2.33 4.72 0.00 3.22 1.43 0.22 -5.07 118.68 120.87 1i8p s LEU 113 Ca 0.28 -2.09 0.23 0.00 -1.03 0.00 0.00 54.13 51.51 1i8p s LEU 113 Cb 0.20 -2.44 1.36 0.00 0.03 0.00 0.00 46.19 45.34 1i8p s LEU 113 CO 0.46 -1.10 1.73 0.29 0.23 0.00 0.00 176.35 177.96