#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 1.99 -0.20 -1.67 0.00 -1.85 0.83 119.26 118.36 1i8p h ALA 3 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1i8p h ALA 3 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1i8p h ALA 3 CO 0.00 -0.06 -0.13 -0.22 0.00 0.00 0.00 179.25 178.84 1i8p h LYS 4 N 0.30 0.44 -0.36 0.00 1.63 -1.96 -2.72 116.57 113.90 1i8p h LYS 4 Ca 0.17 -0.21 -0.05 0.00 -0.85 0.00 0.00 60.65 59.72 1i8p h LYS 4 Cb 0.31 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 1i8p h LYS 4 CO -0.04 0.75 0.00 0.00 -3.45 0.00 0.00 179.45 176.71 1i8p h ALA 5 N 0.68 1.33 -0.07 5.00 0.00 -1.74 -1.77 119.26 122.69 1i8p h ALA 5 Ca 0.04 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1i8p h ALA 5 Cb 0.63 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1i8p h ALA 5 CO 0.04 0.46 0.14 0.78 0.00 0.00 0.00 179.25 180.66 1i8p h GLY 6 N 0.86 0.00 0.57 0.00 0.00 -0.55 -2.79 103.07 101.16 1i8p h GLY 6 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.52 1i8p h GLY 6 CO 0.01 0.00 0.32 0.83 0.00 0.00 0.00 176.54 177.70 1i8p h GLU 7 N 0.00 0.56 -0.53 4.80 5.08 -1.15 0.11 114.58 123.45 1i8p h GLU 7 Ca 0.03 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1i8p h GLU 7 Cb 0.30 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1i8p h GLU 7 CO -0.00 0.37 0.04 0.00 -1.00 0.00 0.00 179.01 178.42 1i8p h ALA 8 N 1.37 1.08 -0.54 3.43 0.00 -1.65 -2.55 119.26 120.41 1i8p h ALA 8 Ca 0.30 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1i8p h ALA 8 Cb 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1i8p h ALA 8 CO -0.23 0.59 -0.08 0.28 0.00 0.00 0.00 179.25 179.81 1i8p h VAL 9 N 0.81 1.26 -0.01 0.00 2.07 -1.49 -2.88 116.25 116.01 1i8p h VAL 9 Ca 0.16 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1i8p h VAL 9 Cb 0.42 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1i8p h VAL 9 CO 0.01 0.43 0.01 0.15 0.02 0.00 0.00 177.57 178.19 1i8p h PHE 10 N 0.88 0.00 -0.75 1.57 3.57 -0.39 -1.94 116.94 119.88 1i8p h PHE 10 Ca 0.15 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.72 1i8p h PHE 10 Cb 0.62 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.31 1i8p h PHE 10 CO 0.04 0.00 0.49 0.87 -2.23 0.00 0.00 178.31 177.48 1i8p h LYS 11 N 0.00 0.71 -0.41 1.11 1.57 -1.27 -1.08 116.57 117.19 1i8p h LYS 11 Ca 0.00 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1i8p h LYS 11 Cb 0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1i8p h LYS 11 CO -0.00 0.47 0.00 1.96 -0.57 0.00 0.00 179.45 181.31 1i8p h GLN 12 N 0.73 0.73 -0.22 3.15 4.20 -1.53 -2.82 115.11 119.35 1i8p h GLN 12 Ca 0.33 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1i8p h GLN 12 Cb 0.35 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1i8p h GLN 12 CO -0.12 0.81 0.02 0.00 -0.67 0.00 0.00 178.83 178.87 1i8p h MET 14 N 0.31 0.00 -0.76 0.00 2.86 -0.98 -0.36 114.93 116.01 1i8p h MET 14 Ca 0.07 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.81 1i8p h MET 14 Cb 0.18 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.77 1i8p h MET 14 CO 0.00 0.00 0.40 1.15 1.06 0.00 0.00 176.91 179.52 1i8p h THR 15 N 0.00 0.86 0.00 2.22 2.02 -1.27 -3.32 112.91 113.42 1i8p h THR 15 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1i8p h THR 15 Cb 0.08 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1i8p h THR 15 CO 0.00 0.12 -1.00 0.00 0.37 0.00 0.00 175.52 175.01 1i8p s HIS 17 N -2.19 2.19 0.41 0.00 3.76 -0.24 -1.19 115.29 118.03 1i8p s HIS 17 Ca -0.01 -0.54 0.07 0.00 -0.15 0.00 0.00 55.06 54.43 1i8p s HIS 17 Cb 0.04 -1.43 -0.06 0.00 1.11 0.00 0.00 32.58 32.24 1i8p s HIS 17 CO 0.25 -0.13 0.14 1.03 -0.85 0.00 0.00 174.74 175.19 1i8p s ARG 18 N -0.31 2.16 -0.03 1.40 0.52 -1.25 -4.05 118.95 117.39 1i8p s ARG 18 Ca 0.02 -1.90 -0.24 0.00 -0.52 0.00 0.00 55.73 53.09 1i8p s ARG 18 Cb -0.11 -1.90 -0.21 0.00 0.52 0.00 0.00 34.95 33.25 1i8p s ARG 18 CO 0.01 -0.10 1.15 0.00 0.02 0.00 0.00 175.30 176.38 1i8p h ALA 19 N 1.51 0.07 0.00 2.13 0.00 -1.94 -1.07 119.26 119.95 1i8p h ALA 19 Ca -0.43 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1i8p h ALA 19 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1i8p h ALA 19 CO 0.72 0.00 -0.68 -0.25 0.00 0.00 0.00 179.25 179.05 1i8p n ASP 20 N -4.61 0.90 -4.31 0.00 8.00 -1.26 -1.11 116.55 114.16 1i8p n ASP 20 Ca -0.09 -0.59 -0.22 0.00 0.71 0.00 0.00 54.79 54.60 1i8p n ASP 20 Cb 0.41 1.10 -0.12 0.00 -0.02 0.00 0.00 41.12 42.49 1i8p n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1i8p s LYS 21 N -2.11 1.22 0.60 -1.24 1.02 -1.26 -4.91 119.74 113.06 1i8p s LYS 21 Ca 0.02 -1.33 -0.15 0.00 0.02 0.00 0.00 55.97 54.54 1i8p s LYS 21 Cb 0.07 -1.33 -0.03 0.00 -0.52 0.00 0.00 37.83 36.02 1i8p s LYS 21 CO 0.42 0.28 1.04 -0.80 -0.92 0.00 0.00 175.35 175.38 1i8p s ASN 22 N -2.43 5.86 0.00 2.83 0.01 -1.26 -3.79 114.94 116.15 1i8p s ASN 22 Ca 0.13 1.71 0.00 0.00 -0.71 0.00 0.00 52.86 53.99 1i8p s ASN 22 Cb -0.07 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.07 1i8p s ASN 22 CO 0.06 -1.11 0.00 0.80 -1.51 0.00 0.00 177.10 175.33 1i8p n MET 23 N -2.23 0.00 -0.35 -0.60 1.56 -1.26 -4.92 117.12 109.31 1i8p n MET 23 Ca 0.08 0.00 0.07 0.00 -0.27 0.00 0.00 57.70 57.58 1i8p n MET 23 Cb 0.53 0.00 0.24 0.00 2.15 0.00 0.00 33.22 36.14 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 0.88 -1.73 1.12 2.07 -1.87 -3.43 116.25 113.30 1i8p h VAL 24 Ca 0.00 -0.32 -0.57 0.00 0.82 0.00 0.00 66.70 66.63 1i8p h VAL 24 Cb 0.00 -0.13 -0.09 0.00 -1.52 0.00 0.00 31.29 29.56 1i8p h VAL 24 CO 0.00 0.17 -0.53 -0.83 0.02 0.00 0.00 177.57 176.40 1i8p s GLY 25 N -3.50 2.20 0.76 2.17 0.00 -0.33 -5.05 107.32 103.56 1i8p s GLY 25 Ca -0.12 -2.02 -0.13 0.00 0.00 0.00 0.00 44.72 42.45 1i8p s GLY 25 CO 0.80 -1.88 1.15 2.56 0.00 0.00 0.00 173.10 175.73 1i8p s PRO 26 N -3.85 2.12 0.34 2.90 0.04 -1.26 -4.63 135.00 130.67 1i8p s PRO 26 Ca 0.39 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.64 1i8p s PRO 26 Cb 0.02 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.59 1i8p s PRO 26 CO 0.22 -1.80 1.48 0.00 0.04 0.00 0.00 177.00 176.95 1i8p s ALA 27 N -2.39 3.61 -0.98 8.56 0.00 -1.25 -4.60 121.76 124.72 1i8p s ALA 27 Ca 0.68 1.51 0.17 0.00 0.00 0.00 0.00 51.96 54.33 1i8p s ALA 27 Cb -0.23 -3.60 -0.15 0.00 0.00 0.00 0.00 23.12 19.14 1i8p s ALA 27 CO 0.49 -0.96 0.77 1.28 0.00 0.00 0.00 175.76 177.34 1i8p n LEU 28 N 1.05 1.00 -4.74 0.00 4.77 -0.41 -4.81 117.00 113.86 1i8p n LEU 28 Ca 0.03 -0.55 -0.42 0.00 -0.03 0.00 0.00 56.01 55.04 1i8p n LEU 28 Cb 0.39 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 1i8p n LEU 28 CO 0.63 0.23 1.29 0.00 -1.33 0.00 0.00 177.39 178.21 1i8p n ALA 29 N -1.15 2.70 -0.97 -1.18 0.00 -0.27 -1.22 120.51 118.43 1i8p n ALA 29 Ca 0.04 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1i8p n ALA 29 Cb 0.29 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.25 1i8p n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i8p n GLY 30 N 2.72 0.41 0.34 0.00 0.00 0.77 -4.92 105.19 104.50 1i8p n GLY 30 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.15 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 1.13 -2.83 1.61 3.04 -1.38 -3.33 116.25 114.49 1i8p h VAL 31 Ca 0.00 -0.28 -0.56 0.00 -1.01 0.00 0.00 66.70 64.85 1i8p h VAL 31 Cb 0.25 0.24 -0.04 0.00 -2.01 0.00 0.00 31.29 29.72 1i8p h VAL 31 CO 0.00 0.15 1.18 -0.69 -1.01 0.00 0.00 177.57 177.20 1i8p s VAL 32 N -5.71 3.68 0.00 1.51 1.01 -1.26 -1.27 120.40 118.36 1i8p s VAL 32 Ca -0.10 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1i8p s VAL 32 Cb 0.18 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1i8p s VAL 32 CO 0.76 -0.76 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1i8p n GLY 33 N 5.30 1.04 3.78 4.51 0.00 0.69 -5.00 105.19 115.51 1i8p n GLY 33 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.77 3.24 0.20 1.61 3.52 -0.40 -4.84 118.95 121.50 1i8p s ARG 34 Ca 0.00 -0.27 -0.31 0.00 -0.13 0.00 0.00 55.73 55.02 1i8p s ARG 34 Cb 0.00 -3.00 -0.10 0.00 -1.56 0.00 0.00 34.95 30.29 1i8p s ARG 34 CO 0.00 0.72 1.56 0.21 -0.81 0.00 0.00 175.30 176.98 1i8p s LYS 35 N -0.91 4.21 0.53 5.12 2.20 -1.26 -1.39 119.74 128.23 1i8p s LYS 35 Ca 0.14 2.40 -0.20 0.00 -0.36 0.00 0.00 55.97 57.94 1i8p s LYS 35 Cb -0.12 -3.12 -0.08 0.00 -1.51 0.00 0.00 37.83 33.00 1i8p s LYS 35 CO 0.03 -0.58 0.86 0.00 -0.36 0.00 0.00 175.35 175.30 1i8p n ALA 36 N 3.43 -0.20 -2.36 3.13 0.00 0.09 -3.28 120.51 121.31 1i8p n ALA 36 Ca 0.12 0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.51 1i8p n ALA 36 Cb 0.38 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 1.39 -0.12 0.14 0.00 0.00 -1.26 -4.09 105.19 101.25 1i8p n GLY 37 Ca 0.12 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.01 0.68 -2.07 2.61 -2.24 -1.21 -4.87 114.28 103.17 1i8p n THR 38 Ca -0.13 -0.77 -0.42 0.00 -2.27 0.00 0.00 64.05 60.47 1i8p n THR 38 Cb 0.60 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.91 3.64 0.25 6.98 0.00 -1.26 -4.88 121.76 125.59 1i8p s ALA 39 Ca 0.07 1.24 -0.31 0.00 0.00 0.00 0.00 51.96 52.96 1i8p s ALA 39 Cb 0.06 -3.56 -0.12 0.00 0.00 0.00 0.00 23.12 19.50 1i8p s ALA 39 CO 0.01 -0.68 1.58 0.00 0.00 0.00 0.00 175.76 176.67 1i8p n ALA 40 N 3.34 2.22 -0.42 0.00 0.00 -1.26 -2.20 120.51 122.19 1i8p n ALA 40 Ca 0.10 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1i8p n ALA 40 Cb 0.41 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.43 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 2.63 1.82 3.80 0.00 0.00 -1.26 -4.94 105.19 107.24 1i8p n GLY 41 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.29 3.59 -0.39 1.61 5.36 -0.94 -5.05 117.98 118.87 1i8p s PHE 42 Ca 0.00 0.72 -0.19 0.00 -0.96 0.00 0.00 56.93 56.50 1i8p s PHE 42 Cb 0.00 -2.23 0.01 0.00 -0.34 0.00 0.00 43.02 40.45 1i8p s PHE 42 CO 0.00 0.49 0.57 0.99 -1.46 0.00 0.00 175.22 175.81 1i8p s THR 43 N -0.40 4.93 0.42 0.12 2.01 -1.26 -4.86 115.64 116.60 1i8p s THR 43 Ca 0.19 0.25 0.04 0.00 0.31 0.00 0.00 61.69 62.47 1i8p s THR 43 Cb -0.14 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.30 1i8p s THR 43 CO 0.07 -0.38 0.60 -0.31 -0.69 0.00 0.00 174.62 173.91 1i8p s TYR 44 N 2.57 3.04 0.81 4.92 2.02 -1.26 -5.06 117.35 124.39 1i8p s TYR 44 Ca 0.20 -0.09 -0.11 0.00 -0.37 0.00 0.00 57.07 56.71 1i8p s TYR 44 Cb -0.15 -2.29 0.08 0.00 -0.40 0.00 0.00 41.96 39.19 1i8p s TYR 44 CO 0.16 -0.34 1.09 -1.54 -1.57 0.00 0.00 175.55 173.34 1i8p s SER 45 N -4.26 4.23 0.26 2.29 1.04 -1.26 -4.81 113.70 111.19 1i8p s SER 45 Ca 0.50 1.71 -0.05 0.00 0.48 0.00 0.00 55.95 58.59 1i8p s SER 45 Cb -0.10 -2.41 0.32 0.00 0.10 0.00 0.00 66.02 63.93 1i8p s SER 45 CO 0.35 -2.19 1.91 -0.65 0.98 0.00 0.00 173.24 173.64 1i8p h PRO 46 N -1.24 1.26 -0.77 4.02 0.11 -1.97 0.47 132.00 133.88 1i8p h PRO 46 Ca -0.45 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 1i8p h PRO 46 Cb 1.25 -0.28 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 1i8p h PRO 46 CO 0.53 0.83 0.40 1.25 -0.21 0.00 0.00 178.00 180.80 1i8p h LEU 47 N 1.29 0.98 0.00 2.35 5.85 -1.82 0.28 115.31 124.25 1i8p h LEU 47 Ca 0.39 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 1i8p h LEU 47 Cb -0.04 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.74 1i8p h LEU 47 CO -0.11 0.81 -0.20 -1.13 -0.34 0.00 0.00 178.44 177.47 1i8p h ASN 48 N 1.08 0.17 -0.46 1.25 -0.73 -1.83 -2.20 115.58 112.86 1i8p h ASN 48 Ca 0.27 -0.80 0.09 0.00 1.87 0.00 0.00 56.30 57.73 1i8p h ASN 48 Cb 0.07 -0.05 -0.08 0.00 0.27 0.00 0.00 38.32 38.52 1i8p h ASN 48 CO -0.04 0.94 -0.08 -0.74 -0.37 0.00 0.00 177.43 177.15 1i8p h HIS 49 N -0.59 -0.17 0.00 0.67 2.76 -0.78 -2.08 115.15 114.97 1i8p h HIS 49 Ca -0.03 0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.13 1i8p h HIS 49 Cb 0.98 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.08 1i8p h HIS 49 CO 0.19 -0.17 -0.25 -0.91 -1.30 0.00 0.00 177.93 175.49 1i8p h ASN 50 N 0.03 0.00 -0.11 3.26 2.35 -0.46 -1.85 115.58 118.81 1i8p h ASN 50 Ca 0.22 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1i8p h ASN 50 Cb 0.34 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 1i8p h ASN 50 CO -0.44 0.25 0.01 0.28 -1.65 0.00 0.00 177.43 175.88 1i8p h SER 51 N 0.00 0.17 -0.79 5.81 0.02 -0.74 -0.57 113.55 117.44 1i8p h SER 51 Ca -0.00 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.65 1i8p h SER 51 Cb 0.50 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.96 1i8p h SER 51 CO 0.03 0.40 0.37 1.23 -1.14 0.00 0.00 176.83 177.72 1i8p h GLY 52 N -0.06 1.25 1.39 -3.77 0.00 -1.15 -1.91 103.07 98.82 1i8p h GLY 52 Ca 0.03 -0.63 0.01 0.00 0.00 0.00 0.00 47.33 46.74 1i8p h GLY 52 CO 0.00 0.60 0.41 -2.09 0.00 0.00 0.00 176.54 175.46 1i8p h GLU 53 N 1.15 0.81 0.00 4.80 4.81 -1.19 0.23 114.58 125.19 1i8p h GLU 53 Ca 0.27 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1i8p h GLU 53 Cb 0.14 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1i8p h GLU 53 CO -0.03 0.54 0.00 0.00 -0.73 0.00 0.00 179.01 178.79 1i8p n ALA 54 N -2.44 2.40 0.00 2.92 0.00 -0.24 -4.87 120.51 118.28 1i8p n ALA 54 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1i8p n ALA 54 Cb 0.04 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 0.64 0.90 3.65 0.00 0.00 0.82 -5.07 105.19 106.13 1i8p n GLY 55 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1i8p n GLY 55 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1i8p n LEU 56 N 0.00 4.00 -4.37 0.99 7.94 -0.76 -4.94 117.00 119.86 1i8p n LEU 56 Ca 0.00 0.82 -0.33 0.00 -1.11 0.00 0.00 56.01 55.39 1i8p n LEU 56 Cb 0.00 -1.52 -0.14 0.00 0.53 0.00 0.00 43.42 42.29 1i8p n LEU 56 CO 0.00 0.07 -0.45 -0.69 -1.11 0.00 0.00 177.39 175.21 1i8p s VAL 57 N 4.94 2.99 0.21 1.96 1.01 -1.26 -0.73 120.40 129.51 1i8p s VAL 57 Ca 0.91 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1i8p s VAL 57 Cb -0.44 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.61 1i8p s VAL 57 CO 0.42 0.53 1.24 0.26 0.00 0.00 0.00 175.10 177.55 1i8p s TRP 58 N 0.24 3.35 0.22 5.22 0.52 -0.49 -4.91 118.94 123.09 1i8p s TRP 58 Ca -0.09 1.38 0.01 0.00 0.02 0.00 0.00 56.10 57.41 1i8p s TRP 58 Cb -0.16 -3.50 -0.05 0.00 -1.15 0.00 0.00 33.47 28.62 1i8p s TRP 58 CO 0.05 -1.44 0.08 0.95 0.02 0.00 0.00 176.95 176.61 1i8p s THR 59 N -0.18 0.44 0.56 2.01 -4.23 -1.26 -0.22 115.64 112.76 1i8p s THR 59 Ca 0.53 -1.99 0.23 0.00 -1.18 0.00 0.00 61.69 59.29 1i8p s THR 59 Cb -0.34 -2.44 0.31 0.00 1.34 0.00 0.00 72.50 71.38 1i8p s THR 59 CO 0.39 -0.16 2.21 0.00 -0.54 0.00 0.00 174.62 176.52 1i8p h ALA 60 N 2.55 1.75 0.17 3.99 0.00 -1.95 -1.86 119.26 123.91 1i8p h ALA 60 Ca -0.37 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.25 1i8p h ALA 60 Cb 1.23 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.04 1i8p h ALA 60 CO 0.60 -0.00 -1.36 -0.44 0.00 0.00 0.00 179.25 178.04 1i8p h ASP 61 N 0.00 0.57 1.01 0.00 3.32 -1.99 -3.39 116.42 115.95 1i8p h ASP 61 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 56.14 1i8p h ASP 61 Cb 0.00 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1i8p h ASP 61 CO -0.00 1.63 -0.55 -0.55 -1.72 0.00 0.00 179.24 178.04 1i8p h ASN 62 N -0.12 0.00 0.45 6.45 7.08 -1.87 -3.29 115.58 124.29 1i8p h ASN 62 Ca -0.26 -0.15 -0.08 0.00 -3.08 0.00 0.00 56.30 52.73 1i8p h ASN 62 Cb 1.91 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 38.14 1i8p h ASN 62 CO 0.16 0.08 -0.37 0.40 -2.08 0.00 0.00 177.43 175.62 1i8p h ILE 63 N 0.00 1.17 0.66 6.14 2.04 -1.53 -2.68 117.51 123.31 1i8p h ILE 63 Ca 0.00 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.52 1i8p h ILE 63 Cb 0.78 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1i8p h ILE 63 CO 0.00 0.37 -0.47 0.58 0.00 0.00 0.00 178.15 178.62 1i8p h VAL 64 N 0.00 0.06 -0.16 1.67 2.07 -1.75 -1.03 116.25 117.12 1i8p h VAL 64 Ca -0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1i8p h VAL 64 Cb 0.70 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1i8p h VAL 64 CO 0.05 0.00 -0.15 1.55 0.02 0.00 0.00 177.57 179.04 1i8p h PRO 65 N -1.08 0.26 -0.25 1.57 0.13 -1.74 -3.06 132.00 127.83 1i8p h PRO 65 Ca -0.08 -0.07 0.04 0.00 -0.87 0.00 0.00 66.00 65.02 1i8p h PRO 65 Cb 0.90 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.95 1i8p h PRO 65 CO 0.04 0.42 0.01 -0.92 -0.23 0.00 0.00 178.00 177.32 1i8p h TYR 66 N 0.25 0.01 0.00 1.56 3.20 -1.24 -2.70 116.97 118.05 1i8p h TYR 66 Ca 0.05 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1i8p h TYR 66 Cb 0.42 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 1i8p h TYR 66 CO 0.01 -0.03 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.34 1i8p h LEU 67 N 0.09 0.00 -1.18 2.82 3.38 -1.08 -1.26 115.31 118.08 1i8p h LEU 67 Ca 0.12 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1i8p h LEU 67 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1i8p h LEU 67 CO -0.19 0.08 -0.25 0.00 0.09 0.00 0.00 178.44 178.17 1i8p h ALA 68 N 1.92 1.32 -0.69 1.53 0.00 -1.50 -0.79 119.26 121.04 1i8p h ALA 68 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1i8p h ALA 68 Cb 0.19 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 17.71 1i8p h ALA 68 CO 0.01 0.46 -0.32 0.34 0.00 0.00 0.00 179.25 179.74 1i8p s ASP 69 N -6.87 -1.05 0.21 0.00 -1.08 -0.75 -4.43 116.67 102.69 1i8p s ASP 69 Ca -0.05 -0.67 -0.10 0.00 -0.52 0.00 0.00 52.55 51.21 1i8p s ASP 69 Cb 0.14 1.35 0.29 0.00 -1.46 0.00 0.00 42.92 43.24 1i8p s ASP 69 CO 0.75 -0.10 1.71 -0.65 0.52 0.00 0.00 175.17 177.40 1i8p h PRO 70 N 6.05 0.26 -0.21 4.34 0.11 -1.51 -1.60 132.00 139.45 1i8p h PRO 70 Ca 0.02 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 1i8p h PRO 70 Cb 1.19 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1i8p h PRO 70 CO 0.02 0.17 0.06 -0.91 -0.21 0.00 0.00 178.00 177.14 1i8p h ASN 71 N 0.27 0.31 -0.87 -2.05 2.35 -1.90 -2.33 115.58 111.37 1i8p h ASN 71 Ca 0.31 -0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.88 1i8p h ASN 71 Cb 0.45 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 1i8p h ASN 71 CO -0.39 0.44 0.57 0.00 -1.65 0.00 0.00 177.43 176.40 1i8p h ALA 72 N 0.89 1.43 0.08 -0.83 0.00 -1.88 0.04 119.26 118.99 1i8p h ALA 72 Ca 0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1i8p h ALA 72 Cb 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1i8p h ALA 72 CO -0.00 0.50 -0.04 0.35 0.00 0.00 0.00 179.25 180.06 1i8p h PHE 73 N 1.12 -0.10 -0.42 0.00 3.57 -1.17 -2.29 116.94 117.65 1i8p h PHE 73 Ca 0.34 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.75 1i8p h PHE 73 Cb -0.04 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1i8p h PHE 73 CO -0.00 0.29 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.22 1i8p h LEU 74 N -0.51 0.71 -0.27 0.59 3.38 -1.20 0.64 115.31 118.65 1i8p h LEU 74 Ca -0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1i8p h LEU 74 Cb 0.44 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1i8p h LEU 74 CO 0.02 0.83 0.09 0.11 0.09 0.00 0.00 178.44 179.58 1i8p h LYS 75 N 0.67 0.41 -0.70 1.13 1.57 -0.99 -1.87 116.57 116.79 1i8p h LYS 75 Ca 0.12 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1i8p h LYS 75 Cb 0.53 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1i8p h LYS 75 CO 0.03 0.47 0.36 -0.22 -0.57 0.00 0.00 179.45 179.51 1i8p h LYS 76 N 0.28 1.00 0.13 3.15 3.64 -1.22 -0.63 116.57 122.91 1i8p h LYS 76 Ca 0.09 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1i8p h LYS 76 Cb 0.22 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1i8p h LYS 76 CO -0.00 0.77 -0.25 0.35 -2.27 0.00 0.00 179.45 178.05 1i8p h PHE 77 N 0.97 -0.66 -0.21 1.91 3.57 -0.72 -0.69 116.94 121.11 1i8p h PHE 77 Ca 0.24 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.67 1i8p h PHE 77 Cb 0.09 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1i8p h PHE 77 CO 0.00 -0.35 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.41 1i8p h LEU 78 N -0.46 0.40 0.02 0.59 3.38 -1.25 -2.53 115.31 115.47 1i8p h LEU 78 Ca 0.03 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1i8p h LEU 78 Cb 0.48 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1i8p h LEU 78 CO -0.13 0.65 -0.01 0.74 0.09 0.00 0.00 178.44 179.77 1i8p h THR 79 N 0.35 1.07 -0.82 0.22 2.02 -0.90 -0.48 112.91 114.38 1i8p h THR 79 Ca 0.05 -0.29 0.18 0.00 0.77 0.00 0.00 66.41 67.13 1i8p h THR 79 Cb 0.63 1.26 -0.06 0.00 -1.74 0.00 0.00 68.15 68.25 1i8p h THR 79 CO 0.05 0.07 0.55 -0.33 0.37 0.00 0.00 175.52 176.23 1i8p h GLU 80 N -0.16 0.36 -0.00 6.66 5.08 -0.94 -0.97 114.58 124.61 1i8p h GLU 80 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1i8p h GLU 80 Cb 0.15 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1i8p h GLU 80 CO 0.01 0.24 0.00 1.63 -1.00 0.00 0.00 179.01 179.88 1i8p n LYS 81 N -4.48 1.05 -1.42 2.33 4.76 -0.87 -4.90 118.16 114.63 1i8p n LYS 81 Ca 0.17 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1i8p n LYS 81 Cb 0.63 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 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 0.97 0.43 2.08 0.72 0.00 -0.37 -4.94 105.19 104.08 1i8p n GLY 82 Ca 0.21 -0.95 -0.07 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.98 2.15 -0.34 1.61 5.02 -0.24 -4.86 118.16 119.52 1i8p n LYS 83 Ca 0.00 -3.52 0.09 0.00 -2.02 0.00 0.00 58.31 52.86 1i8p n LYS 83 Cb 0.24 -1.63 0.26 0.00 -0.02 0.00 0.00 35.03 33.87 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 2.03 1.49 0.00 7.82 0.00 -1.80 -0.96 119.26 127.85 1i8p h ALA 84 Ca 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1i8p h ALA 84 Cb 1.42 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1i8p h ALA 84 CO 0.35 0.04 -0.02 0.38 0.00 0.00 0.00 179.25 179.99 1i8p h ASP 85 N 0.80 0.00 0.38 0.00 2.03 -1.92 -1.22 116.42 116.50 1i8p h ASP 85 Ca 0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.81 1i8p h ASP 85 Cb 0.68 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.18 1i8p h ASP 85 CO -0.33 0.02 0.00 0.00 -1.03 0.00 0.00 179.24 177.90 1i8p n GLN 86 N -4.09 0.60 -0.50 4.15 6.02 -0.36 -3.69 117.38 119.52 1i8p n GLN 86 Ca -0.03 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.04 1i8p n GLN 86 Cb 0.11 -1.50 0.28 0.00 1.02 0.00 0.00 30.24 30.15 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 -1.20 3.02 0.23 -1.58 0.00 -0.46 -4.60 120.51 115.92 1i8p n ALA 87 Ca 0.17 -1.96 0.09 0.00 0.00 0.00 0.00 53.44 51.74 1i8p n ALA 87 Cb 0.20 -0.77 0.53 0.00 0.00 0.00 0.00 19.45 19.41 1i8p n ALA 87 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1i8p h VAL 88 N 2.49 0.75 -1.70 0.00 -1.51 -1.68 -3.46 116.25 111.14 1i8p h VAL 88 Ca 0.00 -0.97 0.00 0.00 -1.23 0.00 0.00 66.70 64.50 1i8p h VAL 88 Cb 1.42 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 32.18 1i8p h VAL 88 CO 0.23 0.23 0.00 0.61 -1.23 0.00 0.00 177.57 177.41 1i8p n GLY 89 N -0.30 0.51 3.33 5.19 0.00 -1.26 -5.12 105.19 107.53 1i8p n GLY 89 Ca -0.01 -1.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.05 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 0.91 1.27 0.50 1.61 -7.23 -1.26 -4.90 120.40 111.31 1i8p s VAL 90 Ca 0.00 -2.08 -0.09 0.00 -1.81 0.00 0.00 61.98 58.00 1i8p s VAL 90 Cb 0.00 -2.20 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 1i8p s VAL 90 CO 0.00 -0.46 0.86 0.28 -0.31 0.00 0.00 175.10 175.46 1i8p s THR 91 N -3.27 4.81 0.14 5.32 -1.32 -1.26 -4.62 115.64 115.43 1i8p s THR 91 Ca 0.25 0.54 0.33 0.00 -1.21 0.00 0.00 61.69 61.60 1i8p s THR 91 Cb 0.04 -3.83 0.38 0.00 -1.51 0.00 0.00 72.50 67.58 1i8p s THR 91 CO 0.07 -0.84 1.99 0.11 -2.21 0.00 0.00 174.62 173.74 1i8p h LYS 92 N 0.37 0.00 -6.58 7.08 1.57 -1.98 -3.42 116.57 113.61 1i8p h LYS 92 Ca -0.46 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.76 1i8p h LYS 92 Cb 1.20 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.43 1i8p h LYS 92 CO 0.62 0.02 0.96 1.41 -0.57 0.00 0.00 179.45 181.89 1i8p s MET 93 N -3.70 3.54 0.00 3.15 1.75 -1.26 -4.85 119.30 117.93 1i8p s MET 93 Ca 0.01 0.28 0.25 0.00 -1.25 0.00 0.00 55.69 54.98 1i8p s MET 93 Cb 0.09 -4.00 0.69 0.00 2.84 0.00 0.00 34.83 34.45 1i8p s MET 93 CO 0.55 -1.64 1.54 0.25 -0.65 0.00 0.00 175.02 175.06 1i8p n THR 94 N 6.69 0.08 -3.42 10.11 -2.24 -1.26 -4.89 114.28 119.34 1i8p n THR 94 Ca 0.09 -0.38 -0.30 0.00 -2.27 0.00 0.00 64.05 61.19 1i8p n THR 94 Cb 0.49 0.83 -0.04 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.92 3.46 0.02 4.78 2.19 -1.26 -5.10 117.98 120.16 1i8p s PHE 95 Ca 0.34 0.67 -0.03 0.00 0.33 0.00 0.00 56.93 58.24 1i8p s PHE 95 Cb 0.20 -2.11 -0.01 0.00 -1.31 0.00 0.00 43.02 39.79 1i8p s PHE 95 CO 0.31 0.24 0.04 0.15 1.83 0.00 0.00 175.22 177.79 1i8p s LYS 96 N -3.25 0.44 -0.24 10.12 1.02 -1.26 -4.74 119.74 121.83 1i8p s LYS 96 Ca 0.44 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.78 1i8p s LYS 96 Cb -0.11 0.17 0.07 0.00 -0.52 0.00 0.00 37.83 37.43 1i8p s LYS 96 CO 0.27 -0.09 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.42 1i8p s LEU 97 N -1.72 2.46 0.12 3.17 2.96 -0.30 -5.03 118.68 120.34 1i8p s LEU 97 Ca -0.11 -1.23 -0.12 0.00 -0.22 0.00 0.00 54.13 52.44 1i8p s LEU 97 Cb -0.06 -1.08 -0.08 0.00 0.50 0.00 0.00 46.19 45.47 1i8p s LEU 97 CO -0.02 -0.28 1.42 0.00 -1.32 0.00 0.00 176.35 176.15 1i8p h ALA 98 N 7.99 0.47 -2.28 5.97 0.00 -1.85 -3.33 119.26 126.24 1i8p h ALA 98 Ca -0.16 -0.48 -0.55 0.00 0.00 0.00 0.00 54.91 53.72 1i8p h ALA 98 Cb 1.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1i8p h ALA 98 CO 0.41 0.63 0.99 1.21 0.00 0.00 0.00 179.25 182.48 1i8p s ASN 99 N -6.84 6.76 0.20 0.00 3.84 -1.26 -4.90 114.94 112.74 1i8p s ASN 99 Ca -0.11 2.12 -0.09 0.00 0.21 0.00 0.00 52.86 54.99 1i8p s ASN 99 Cb 0.10 -2.54 0.14 0.00 -0.55 0.00 0.00 41.25 38.40 1i8p s ASN 99 CO 0.88 -0.84 1.79 -0.08 -2.79 0.00 0.00 177.10 176.06 1i8p h GLU 100 N 8.78 1.10 -0.49 0.43 4.81 -1.99 -1.83 114.58 125.39 1i8p h GLU 100 Ca -0.37 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 58.62 1i8p h GLU 100 Cb 1.16 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 1i8p h GLU 100 CO 0.94 0.86 -0.01 0.37 -0.73 0.00 0.00 179.01 180.45 1i8p h GLN 101 N 1.07 0.83 -0.54 1.92 5.75 -1.99 -1.24 115.11 120.91 1i8p h GLN 101 Ca 0.26 -0.23 -0.06 0.00 -0.15 0.00 0.00 58.65 58.46 1i8p h GLN 101 Cb 0.13 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 1i8p h GLN 101 CO -0.03 0.84 0.08 1.96 -2.65 0.00 0.00 178.83 179.02 1i8p h GLN 102 N 0.77 0.85 -0.36 1.69 4.20 -1.89 -0.01 115.11 120.37 1i8p h GLN 102 Ca 0.15 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 1i8p h GLN 102 Cb 0.48 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1i8p h GLN 102 CO 0.02 0.80 -0.02 0.00 -0.67 0.00 0.00 178.83 178.96 1i8p h ARG 103 N 0.81 0.65 -0.66 1.46 3.08 -1.03 -1.47 114.38 117.22 1i8p h ARG 103 Ca 0.17 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 1i8p h ARG 103 Cb 0.38 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1i8p h ARG 103 CO 0.01 0.77 0.16 0.87 -1.07 0.00 0.00 179.97 180.71 1i8p h LYS 104 N 0.45 1.06 -0.42 0.04 1.57 -1.01 -1.30 116.57 116.97 1i8p h LYS 104 Ca 0.10 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1i8p h LYS 104 Cb 0.50 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1i8p h LYS 104 CO 0.02 0.95 0.13 -0.44 -0.57 0.00 0.00 179.45 179.54 1i8p h ASP 105 N 0.99 0.62 0.23 0.86 3.32 -0.91 -0.26 116.42 121.27 1i8p h ASP 105 Ca 0.21 -0.21 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 1i8p h ASP 105 Cb 0.37 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1i8p h ASP 105 CO 0.00 0.67 -0.47 1.62 -1.72 0.00 0.00 179.24 179.34 1i8p h VAL 106 N 0.54 1.33 -0.46 -1.35 3.04 -1.16 -1.00 116.25 117.20 1i8p h VAL 106 Ca 0.14 -1.67 -0.12 0.00 -1.01 0.00 0.00 66.70 64.04 1i8p h VAL 106 Cb 0.27 1.76 -0.02 0.00 -2.01 0.00 0.00 31.29 31.30 1i8p h VAL 106 CO -0.00 0.50 -0.17 0.58 -1.01 0.00 0.00 177.57 177.46 1i8p h VAL 107 N 0.24 1.27 -0.87 1.51 2.07 -1.02 0.39 116.25 119.84 1i8p h VAL 107 Ca 0.01 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 1i8p h VAL 107 Cb 0.92 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1i8p h VAL 107 CO 0.08 0.45 0.50 0.00 0.02 0.00 0.00 177.57 178.62 1i8p h ALA 108 N 1.00 1.26 -0.16 1.67 0.00 -0.63 -1.23 119.26 121.17 1i8p h ALA 108 Ca 0.11 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1i8p h ALA 108 Cb 0.71 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1i8p h ALA 108 CO 0.05 0.62 -0.01 -0.92 0.00 0.00 0.00 179.25 179.00 1i8p h TYR 109 N 1.20 -0.03 -0.90 0.00 3.20 -0.71 -2.95 116.97 116.78 1i8p h TYR 109 Ca 0.31 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.25 1i8p h TYR 109 Cb -0.02 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.23 1i8p h TYR 109 CO 0.01 -0.04 0.59 -0.07 -1.64 0.00 0.00 178.16 177.01 1i8p h LEU 110 N 0.04 0.91 -2.77 2.82 3.38 -0.32 -0.55 115.31 118.82 1i8p h LEU 110 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1i8p h LEU 110 Cb 0.10 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1i8p h LEU 110 CO -0.14 0.60 0.03 0.00 0.09 0.00 0.00 178.44 179.02 1i8p h ALA 111 N 1.50 1.18 -0.00 1.53 0.00 -1.07 -0.20 119.26 122.21 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 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1i8p h ALA 111 CO -0.14 -0.04 -0.50 0.25 0.00 0.00 0.00 179.25 178.83 1i8p n THR 112 N -3.28 0.00 -2.67 0.00 -2.24 -0.22 -4.71 114.28 101.16 1i8p n THR 112 Ca -0.03 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 1i8p n THR 112 Cb 0.11 0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 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 -2.94 4.03 0.00 3.22 1.43 -0.09 -5.06 118.68 119.28 1i8p s LEU 113 Ca 0.13 -1.89 0.27 0.00 -1.03 0.00 0.00 54.13 51.60 1i8p s LEU 113 Cb 0.18 -2.52 1.62 0.00 0.03 0.00 0.00 46.19 45.50 1i8p s LEU 113 CO 0.69 -1.29 1.97 0.29 0.23 0.00 0.00 176.35 178.24