#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 2.00 -0.05 -1.67 0.00 -1.86 0.28 119.26 117.97 1i8p h ALA 3 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1i8p h ALA 3 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1i8p h ALA 3 CO 0.00 -0.06 -0.00 -0.22 0.00 0.00 0.00 179.25 178.97 1i8p h LYS 4 N 0.24 0.08 -0.39 0.00 1.63 -1.96 -2.03 116.57 114.14 1i8p h LYS 4 Ca 0.14 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1i8p h LYS 4 Cb 0.25 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 1i8p h LYS 4 CO -0.03 0.38 0.25 0.00 -3.45 0.00 0.00 179.45 176.60 1i8p h ALA 5 N 0.70 1.71 -0.21 5.00 0.00 -1.76 -1.66 119.26 123.04 1i8p h ALA 5 Ca 0.01 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1i8p h ALA 5 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1i8p h ALA 5 CO 0.00 0.27 0.17 0.78 0.00 0.00 0.00 179.25 180.47 1i8p h GLY 6 N 0.54 0.00 0.21 0.00 0.00 -0.24 -2.69 103.07 100.88 1i8p h GLY 6 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.61 1i8p h GLY 6 CO -0.03 0.00 0.32 0.83 0.00 0.00 0.00 176.54 177.66 1i8p h GLU 7 N 0.00 0.47 -0.46 4.80 5.08 -0.90 0.52 114.58 124.09 1i8p h GLU 7 Ca 0.10 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 1i8p h GLU 7 Cb 0.44 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1i8p h GLU 7 CO -0.00 0.31 -0.20 0.00 -1.00 0.00 0.00 179.01 178.13 1i8p h ALA 8 N 1.53 0.79 -0.64 3.43 0.00 -1.64 -2.87 119.26 119.85 1i8p h ALA 8 Ca 0.41 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1i8p h ALA 8 Cb 0.59 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1i8p h ALA 8 CO -0.38 0.66 0.11 0.28 0.00 0.00 0.00 179.25 179.92 1i8p h VAL 9 N 0.79 1.26 0.00 0.00 2.07 -1.53 -2.60 116.25 116.24 1i8p h VAL 9 Ca 0.11 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1i8p h VAL 9 Cb 0.74 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1i8p h VAL 9 CO 0.06 0.37 -0.07 0.15 0.02 0.00 0.00 177.57 178.11 1i8p h PHE 10 N 0.98 0.00 -0.91 1.57 3.57 -0.69 -1.76 116.94 119.70 1i8p h PHE 10 Ca 0.20 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.83 1i8p h PHE 10 Cb 0.41 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.07 1i8p h PHE 10 CO 0.03 0.07 0.53 0.87 -2.23 0.00 0.00 178.31 177.57 1i8p h LYS 11 N 0.00 0.78 -0.56 1.11 1.79 -1.33 -1.81 116.57 116.55 1i8p h LYS 11 Ca -0.00 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.37 1i8p h LYS 11 Cb 0.25 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1i8p h LYS 11 CO 0.01 0.52 0.13 1.96 -1.08 0.00 0.00 179.45 180.99 1i8p h GLN 12 N 0.80 0.90 -0.09 3.15 4.20 -1.49 -2.93 115.11 119.64 1i8p h GLN 12 Ca 0.47 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 1i8p h GLN 12 Cb 0.55 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1i8p h GLN 12 CO -0.30 0.84 -0.00 0.00 -0.67 0.00 0.00 178.83 178.69 1i8p h MET 14 N 0.13 0.00 -0.93 0.00 2.86 -1.17 0.15 114.93 115.96 1i8p h MET 14 Ca 0.03 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.80 1i8p h MET 14 Cb 0.10 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.69 1i8p h MET 14 CO 0.00 0.00 0.59 1.15 1.06 0.00 0.00 176.91 179.72 1i8p h THR 15 N 0.00 0.88 0.00 2.22 2.02 -1.45 -3.33 112.91 113.26 1i8p h THR 15 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1i8p h THR 15 Cb 0.12 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1i8p h THR 15 CO 0.00 0.15 -0.35 0.00 0.37 0.00 0.00 175.52 175.69 1i8p s HIS 17 N -1.17 1.92 0.36 0.00 3.76 -0.05 -0.79 115.29 119.32 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 -1.13 -0.07 0.00 1.11 0.00 0.00 32.58 32.49 1i8p s HIS 17 CO 0.00 0.13 -0.04 1.03 -0.85 0.00 0.00 174.74 175.01 1i8p s ARG 18 N -1.33 1.83 -0.04 1.40 0.52 -1.26 -4.07 118.95 116.00 1i8p s ARG 18 Ca 0.08 -1.99 -0.23 0.00 -0.52 0.00 0.00 55.73 53.07 1i8p s ARG 18 Cb -0.09 -1.55 -0.18 0.00 0.52 0.00 0.00 34.95 33.65 1i8p s ARG 18 CO 0.02 0.02 1.01 0.00 0.02 0.00 0.00 175.30 176.38 1i8p h ALA 19 N 1.96 -0.17 0.00 2.13 0.00 -1.94 -1.49 119.26 119.74 1i8p h ALA 19 Ca -0.42 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 1i8p h ALA 19 Cb 1.24 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1i8p h ALA 19 CO 0.74 -0.30 -1.83 -0.25 0.00 0.00 0.00 179.25 177.62 1i8p n ASP 20 N -4.91 1.02 -4.36 0.00 8.00 -1.26 -0.55 116.55 114.49 1i8p n ASP 20 Ca -0.08 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.20 1i8p n ASP 20 Cb 0.27 1.70 -0.11 0.00 -0.02 0.00 0.00 41.12 42.97 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 -3.13 1.37 0.60 -1.24 1.02 -1.26 -4.90 119.74 112.20 1i8p s LYS 21 Ca -0.07 -1.51 -0.14 0.00 0.02 0.00 0.00 55.97 54.27 1i8p s LYS 21 Cb 0.10 -1.40 -0.04 0.00 -0.52 0.00 0.00 37.83 35.97 1i8p s LYS 21 CO 0.72 0.27 1.04 -0.80 -0.92 0.00 0.00 175.35 175.66 1i8p s ASN 22 N -2.92 5.97 0.00 2.83 0.01 -1.26 -3.71 114.94 115.86 1i8p s ASN 22 Ca 0.20 1.67 0.00 0.00 -0.71 0.00 0.00 52.86 54.02 1i8p s ASN 22 Cb -0.05 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.10 1i8p s ASN 22 CO 0.08 -1.04 0.00 0.80 -1.51 0.00 0.00 177.10 175.44 1i8p n MET 23 N -2.20 0.00 -0.23 -0.60 1.56 -1.26 -4.89 117.12 109.50 1i8p n MET 23 Ca 0.08 0.00 -0.03 0.00 -0.27 0.00 0.00 57.70 57.48 1i8p n MET 23 Cb 0.53 0.00 0.08 0.00 2.15 0.00 0.00 33.22 35.99 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 1.02 -1.76 1.12 2.07 -1.87 -3.43 116.25 113.40 1i8p h VAL 24 Ca 0.00 -0.25 -0.51 0.00 0.82 0.00 0.00 66.70 66.76 1i8p h VAL 24 Cb 0.00 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 29.95 1i8p h VAL 24 CO 0.00 0.13 -0.45 -0.83 0.02 0.00 0.00 177.57 176.44 1i8p s GLY 25 N -2.95 1.94 0.59 2.17 0.00 0.03 -5.05 107.32 104.05 1i8p s GLY 25 Ca -0.13 -1.78 -0.18 0.00 0.00 0.00 0.00 44.72 42.63 1i8p s GLY 25 CO 0.76 -1.67 1.16 2.56 0.00 0.00 0.00 173.10 175.91 1i8p s PRO 26 N -3.99 3.06 0.28 2.90 0.04 -1.26 -4.65 135.00 131.37 1i8p s PRO 26 Ca 0.42 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.83 1i8p s PRO 26 Cb -0.04 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.40 1i8p s PRO 26 CO 0.26 -1.10 1.06 0.00 0.04 0.00 0.00 177.00 177.26 1i8p n ALA 27 N -1.67 -0.12 0.50 8.56 0.00 -1.24 -4.61 120.51 121.92 1i8p n ALA 27 Ca 0.12 0.40 0.08 0.00 0.00 0.00 0.00 53.44 54.03 1i8p n ALA 27 Cb 0.51 -2.05 -0.10 0.00 0.00 0.00 0.00 19.45 17.81 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 1.30 0.50 -4.72 0.00 4.77 -0.56 -4.81 117.00 113.48 1i8p n LEU 28 Ca 0.10 -0.34 -0.43 0.00 -0.03 0.00 0.00 56.01 55.31 1i8p n LEU 28 Cb 0.32 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1i8p n LEU 28 CO 0.60 0.12 1.15 0.00 -1.33 0.00 0.00 177.39 177.94 1i8p n ALA 29 N -1.60 2.03 -0.92 -1.18 0.00 0.29 -0.93 120.51 118.19 1i8p n ALA 29 Ca 0.01 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1i8p n ALA 29 Cb 0.30 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.36 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 2.07 0.64 0.36 0.00 0.00 -0.02 -4.92 105.19 103.32 1i8p n GLY 30 Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.17 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 1.02 -2.86 1.61 3.04 -1.27 -3.33 116.25 114.47 1i8p h VAL 31 Ca 0.00 -0.31 -0.56 0.00 -1.01 0.00 0.00 66.70 64.81 1i8p h VAL 31 Cb 0.08 0.03 -0.04 0.00 -2.01 0.00 0.00 31.29 29.35 1i8p h VAL 31 CO 0.00 0.17 1.19 -0.69 -1.01 0.00 0.00 177.57 177.22 1i8p s VAL 32 N -5.82 3.66 0.00 1.51 1.01 -1.26 -1.54 120.40 117.96 1i8p s VAL 32 Ca -0.11 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1i8p s VAL 32 Cb 0.20 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1i8p s VAL 32 CO 0.79 -0.67 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1i8p n GLY 33 N 5.30 1.06 3.67 4.51 0.00 0.74 -5.01 105.19 115.47 1i8p n GLY 33 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.72 3.27 0.21 1.61 3.52 -0.59 -4.83 118.95 121.41 1i8p s ARG 34 Ca 0.00 -0.38 -0.32 0.00 -0.13 0.00 0.00 55.73 54.90 1i8p s ARG 34 Cb 0.00 -2.92 -0.13 0.00 -1.56 0.00 0.00 34.95 30.34 1i8p s ARG 34 CO 0.00 0.59 1.57 1.17 -0.81 0.00 0.00 175.30 177.82 1i8p n LYS 35 N 2.51 2.31 -1.65 5.12 4.81 -1.26 -1.26 118.16 128.73 1i8p n LYS 35 Ca -0.18 0.83 -0.39 0.00 -0.87 0.00 0.00 58.31 57.69 1i8p n LYS 35 Cb 0.53 -2.59 0.03 0.00 0.02 0.00 0.00 35.03 33.03 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 2.99 0.64 -2.07 3.14 0.00 0.37 -3.40 120.51 122.19 1i8p n ALA 36 Ca 0.14 0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.63 1i8p n ALA 36 Cb 0.32 -2.18 -0.01 0.00 0.00 0.00 0.00 19.45 17.58 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 1.07 0.11 0.03 0.00 0.00 -1.26 -4.13 105.19 101.02 1i8p n GLY 37 Ca 0.11 -0.53 0.01 0.00 0.00 0.00 0.00 46.02 45.60 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 0.55 -1.93 2.61 -2.24 -1.22 -4.90 114.28 103.26 1i8p n THR 38 Ca -0.10 -0.56 -0.42 0.00 -2.27 0.00 0.00 64.05 60.70 1i8p n THR 38 Cb 0.55 0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.60 3.72 0.24 6.98 0.00 -1.26 -4.88 121.76 125.96 1i8p s ALA 39 Ca 0.02 1.40 -0.30 0.00 0.00 0.00 0.00 51.96 53.07 1i8p s ALA 39 Cb 0.01 -3.60 -0.10 0.00 0.00 0.00 0.00 23.12 19.43 1i8p s ALA 39 CO 0.00 -0.80 1.52 0.00 0.00 0.00 0.00 175.76 176.48 1i8p s ALA 40 N 0.48 3.71 0.00 0.00 0.00 -1.26 -2.21 121.76 122.48 1i8p s ALA 40 Ca 0.65 1.42 0.00 0.00 0.00 0.00 0.00 51.96 54.02 1i8p s ALA 40 Cb -0.44 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.08 1i8p s ALA 40 CO 0.39 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1i8p n GLY 41 N 2.60 1.80 3.74 0.00 0.00 -1.26 -4.94 105.19 107.13 1i8p n GLY 41 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.66 3.54 -0.42 1.61 5.36 -0.94 -5.04 117.98 119.43 1i8p s PHE 42 Ca 0.00 0.88 -0.20 0.00 -0.96 0.00 0.00 56.93 56.65 1i8p s PHE 42 Cb 0.00 -2.50 0.02 0.00 -0.34 0.00 0.00 43.02 40.20 1i8p s PHE 42 CO 0.00 0.25 0.62 0.99 -1.46 0.00 0.00 175.22 175.62 1i8p s THR 43 N 0.35 4.86 0.41 0.12 2.01 -1.26 -4.86 115.64 117.26 1i8p s THR 43 Ca 0.25 0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.40 1i8p s THR 43 Cb -0.15 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.17 1i8p s THR 43 CO 0.10 -0.53 0.65 -0.31 -0.69 0.00 0.00 174.62 173.84 1i8p s TYR 44 N 2.75 3.42 0.85 4.92 2.02 -1.26 -5.08 117.35 124.97 1i8p s TYR 44 Ca 0.22 0.42 -0.11 0.00 -0.37 0.00 0.00 57.07 57.24 1i8p s TYR 44 Cb -0.14 -2.13 0.10 0.00 -0.40 0.00 0.00 41.96 39.39 1i8p s TYR 44 CO 0.18 -0.14 1.14 -1.54 -1.57 0.00 0.00 175.55 173.62 1i8p s SER 45 N -4.11 3.55 0.29 2.29 1.04 -1.26 -4.80 113.70 110.68 1i8p s SER 45 Ca 0.44 2.12 -0.02 0.00 0.48 0.00 0.00 55.95 58.97 1i8p s SER 45 Cb -0.10 -2.56 0.42 0.00 0.10 0.00 0.00 66.02 63.89 1i8p s SER 45 CO 0.39 -2.69 1.94 -0.65 0.98 0.00 0.00 173.24 173.21 1i8p h PRO 46 N -1.41 1.12 -0.66 4.02 0.11 -1.97 -0.04 132.00 133.16 1i8p h PRO 46 Ca -0.44 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1i8p h PRO 46 Cb 1.26 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1i8p h PRO 46 CO 0.45 0.74 0.35 1.25 -0.21 0.00 0.00 178.00 180.58 1i8p h LEU 47 N 1.15 0.84 0.02 2.35 5.85 -1.82 0.18 115.31 123.88 1i8p h LEU 47 Ca 0.35 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1i8p h LEU 47 Cb -0.04 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.78 1i8p h LEU 47 CO -0.09 0.71 -0.01 -1.13 -0.34 0.00 0.00 178.44 177.58 1i8p h ASN 48 N 0.91 -0.02 -0.60 1.25 -0.73 -1.86 -2.03 115.58 112.50 1i8p h ASN 48 Ca 0.23 -0.71 0.11 0.00 1.87 0.00 0.00 56.30 57.80 1i8p h ASN 48 Cb 0.07 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 38.58 1i8p h ASN 48 CO -0.03 0.73 0.14 -0.74 -0.37 0.00 0.00 177.43 177.15 1i8p h HIS 49 N -0.78 0.22 0.00 0.67 2.76 -0.87 -1.85 115.15 115.30 1i8p h HIS 49 Ca -0.00 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.13 1i8p h HIS 49 Cb 0.73 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 1i8p h HIS 49 CO 0.18 -0.02 -0.36 -0.91 -1.30 0.00 0.00 177.93 175.52 1i8p h ASN 50 N 0.27 0.00 0.03 3.26 2.35 -0.68 -0.28 115.58 120.53 1i8p h ASN 50 Ca 0.32 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1i8p h ASN 50 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1i8p h ASN 50 CO -0.40 0.36 -0.02 0.28 -1.65 0.00 0.00 177.43 176.01 1i8p h SER 51 N 0.00 -0.04 -0.96 5.81 0.02 -0.64 0.90 113.55 118.64 1i8p h SER 51 Ca -0.00 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1i8p h SER 51 Cb 0.73 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.23 1i8p h SER 51 CO 0.05 0.13 0.63 1.23 -1.14 0.00 0.00 176.83 177.73 1i8p h GLY 52 N -0.21 1.37 1.71 -3.77 0.00 -0.79 -1.69 103.07 99.69 1i8p h GLY 52 Ca -0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1i8p h GLY 52 CO 0.01 0.47 0.13 0.83 0.00 0.00 0.00 176.54 177.97 1i8p h GLU 53 N 1.28 0.39 -0.01 4.80 4.39 -0.84 0.27 114.58 124.86 1i8p h GLU 53 Ca 0.36 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1i8p h GLU 53 Cb -0.11 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1i8p h GLU 53 CO -0.09 0.31 0.00 0.00 -1.16 0.00 0.00 179.01 178.07 1i8p n ALA 54 N -2.49 2.65 0.00 3.43 0.00 0.29 -4.87 120.51 119.52 1i8p n ALA 54 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1i8p n ALA 54 Cb 0.12 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 0.94 1.20 3.65 0.00 0.00 0.08 -5.07 105.19 105.98 1i8p n GLY 55 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 4.22 -0.12 0.99 2.96 -0.84 -4.95 118.68 120.94 1i8p s LEU 56 Ca 0.00 2.40 0.00 0.00 -0.22 0.00 0.00 54.13 56.31 1i8p s LEU 56 Cb 0.00 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 1i8p s LEU 56 CO 0.00 -1.20 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.00 1i8p s VAL 57 N 5.07 2.98 0.13 1.68 1.01 -1.26 -0.47 120.40 129.54 1i8p s VAL 57 Ca 0.87 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 1i8p s VAL 57 Cb -0.38 -2.24 -0.07 0.00 0.00 0.00 0.00 36.38 33.68 1i8p s VAL 57 CO 0.38 0.53 1.26 0.26 0.00 0.00 0.00 175.10 177.52 1i8p s TRP 58 N 0.31 3.36 0.28 5.22 0.52 -0.39 -4.92 118.94 123.33 1i8p s TRP 58 Ca -0.11 1.25 0.03 0.00 0.02 0.00 0.00 56.10 57.29 1i8p s TRP 58 Cb -0.16 -3.51 -0.06 0.00 -1.15 0.00 0.00 33.47 28.59 1i8p s TRP 58 CO 0.06 -1.60 0.06 0.95 0.02 0.00 0.00 176.95 176.43 1i8p s THR 59 N 0.59 0.94 0.45 2.01 -4.23 -1.26 -0.18 115.64 113.96 1i8p s THR 59 Ca 0.58 -2.01 0.12 0.00 -1.18 0.00 0.00 61.69 59.20 1i8p s THR 59 Cb -0.33 -2.65 0.30 0.00 1.34 0.00 0.00 72.50 71.16 1i8p s THR 59 CO 0.33 -0.07 2.05 0.00 -0.54 0.00 0.00 174.62 176.39 1i8p h ALA 60 N 2.28 1.92 0.01 3.99 0.00 -1.96 -2.38 119.26 123.13 1i8p h ALA 60 Ca -0.39 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 1i8p h ALA 60 Cb 1.24 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1i8p h ALA 60 CO 0.66 0.02 -0.66 -0.44 0.00 0.00 0.00 179.25 178.82 1i8p h ASP 61 N 0.36 0.56 0.74 0.00 3.32 -2.00 -3.38 116.42 116.02 1i8p h ASP 61 Ca 0.17 -0.78 0.00 0.00 0.02 0.00 0.00 57.03 56.44 1i8p h ASP 61 Cb 0.22 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1i8p h ASP 61 CO -0.04 1.26 -0.62 -0.46 -1.72 0.00 0.00 179.24 177.66 1i8p n ASN 62 N -4.18 0.63 0.06 6.45 0.23 -1.05 -3.47 115.26 113.93 1i8p n ASN 62 Ca -0.11 0.01 -0.02 0.00 -0.53 0.00 0.00 54.58 53.93 1i8p n ASN 62 Cb 0.70 0.23 0.23 0.00 -2.08 0.00 0.00 39.78 38.87 1i8p n ASN 62 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1i8p h ILE 63 N 0.00 1.27 0.29 1.53 2.04 -1.60 -2.53 117.51 118.51 1i8p h ILE 63 Ca 0.00 -1.32 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 1i8p h ILE 63 Cb 0.68 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 1i8p h ILE 63 CO 0.00 0.41 -0.42 0.58 0.00 0.00 0.00 178.15 178.71 1i8p h VAL 64 N 0.31 0.00 -0.75 1.67 2.07 -1.72 -1.06 116.25 116.77 1i8p h VAL 64 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1i8p h VAL 64 Cb 0.70 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1i8p h VAL 64 CO 0.05 0.00 0.45 1.55 0.02 0.00 0.00 177.57 179.65 1i8p h PRO 65 N -0.75 1.01 -0.70 1.57 0.13 -1.75 -3.02 132.00 128.49 1i8p h PRO 65 Ca -0.03 -0.09 0.15 0.00 -0.87 0.00 0.00 66.00 65.16 1i8p h PRO 65 Cb 0.68 -0.22 -0.12 0.00 0.13 0.00 0.00 31.00 31.48 1i8p h PRO 65 CO -0.12 0.71 0.03 -0.92 -0.23 0.00 0.00 178.00 177.46 1i8p h TYR 66 N 1.03 -0.00 -0.07 1.56 3.20 -1.10 -2.33 116.97 119.26 1i8p h TYR 66 Ca 0.27 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 62.11 1i8p h TYR 66 Cb -0.04 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1i8p h TYR 66 CO 0.00 -0.19 -0.32 -0.07 -1.64 0.00 0.00 178.16 175.94 1i8p h LEU 67 N 0.13 0.13 -1.59 2.82 3.38 -1.07 -1.58 115.31 117.53 1i8p h LEU 67 Ca 0.38 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.35 1i8p h LEU 67 Cb 0.64 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1i8p h LEU 67 CO -0.59 0.45 0.34 0.00 0.09 0.00 0.00 178.44 178.72 1i8p h ALA 68 N 1.56 1.81 -0.70 1.53 0.00 -1.44 -0.08 119.26 121.95 1i8p h ALA 68 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1i8p h ALA 68 Cb 0.63 -0.14 -0.17 0.00 0.00 0.00 0.00 17.79 18.10 1i8p h ALA 68 CO 0.05 0.12 -0.33 0.34 0.00 0.00 0.00 179.25 179.43 1i8p s ASP 69 N -6.49 -1.04 0.19 0.00 -1.08 -0.95 -4.37 116.67 102.93 1i8p s ASP 69 Ca -0.08 -0.83 -0.13 0.00 -0.52 0.00 0.00 52.55 51.00 1i8p s ASP 69 Cb 0.18 1.35 0.20 0.00 -1.46 0.00 0.00 42.92 43.19 1i8p s ASP 69 CO 0.74 -0.08 1.72 -0.65 0.52 0.00 0.00 175.17 177.41 1i8p h PRO 70 N 5.67 0.23 -0.25 4.34 0.11 -1.55 -0.90 132.00 139.65 1i8p h PRO 70 Ca 0.02 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1i8p h PRO 70 Cb 1.17 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1i8p h PRO 70 CO 0.00 0.15 0.12 -0.91 -0.21 0.00 0.00 178.00 177.16 1i8p h ASN 71 N 0.24 0.34 -0.84 -2.05 2.35 -1.91 -1.61 115.58 112.09 1i8p h ASN 71 Ca 0.25 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1i8p h ASN 71 Cb 0.34 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1i8p h ASN 71 CO -0.33 0.37 0.54 0.00 -1.65 0.00 0.00 177.43 176.35 1i8p h ALA 72 N 0.98 1.36 0.26 -0.83 0.00 -1.87 0.76 119.26 119.92 1i8p h ALA 72 Ca 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1i8p h ALA 72 Cb 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1i8p h ALA 72 CO -0.01 0.58 -0.12 0.35 0.00 0.00 0.00 179.25 180.04 1i8p h PHE 73 N 1.15 -0.32 -0.88 0.00 3.57 -0.96 -1.74 116.94 117.76 1i8p h PHE 73 Ca 0.31 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 1i8p h PHE 73 Cb -0.10 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 1i8p h PHE 73 CO 0.00 0.03 0.55 -0.07 -2.23 0.00 0.00 178.31 176.59 1i8p h LEU 74 N -0.73 1.05 -0.59 0.59 3.38 -1.11 -0.94 115.31 116.95 1i8p h LEU 74 Ca -0.04 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1i8p h LEU 74 Cb 0.49 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1i8p h LEU 74 CO 0.06 0.79 0.14 0.11 0.09 0.00 0.00 178.44 179.63 1i8p h LYS 75 N 1.21 0.95 -0.56 1.13 1.57 -0.82 -2.13 116.57 117.92 1i8p h LYS 75 Ca 0.32 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1i8p h LYS 75 Cb -0.08 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1i8p h LYS 75 CO -0.06 0.87 0.15 -0.22 -0.57 0.00 0.00 179.45 179.62 1i8p h LYS 76 N 0.86 0.88 0.19 3.15 3.64 -1.17 -1.00 116.57 123.12 1i8p h LYS 76 Ca 0.19 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1i8p h LYS 76 Cb 0.35 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1i8p h LYS 76 CO 0.00 0.82 -0.22 0.35 -2.27 0.00 0.00 179.45 178.13 1i8p h PHE 77 N 0.79 -0.58 -0.74 1.91 3.57 -0.96 -1.04 116.94 119.88 1i8p h PHE 77 Ca 0.18 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 1i8p h PHE 77 Cb 0.32 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1i8p h PHE 77 CO 0.02 -0.32 0.26 -0.07 -2.23 0.00 0.00 178.31 175.97 1i8p h LEU 78 N -0.46 1.05 -0.83 0.59 3.38 -1.36 -2.64 115.31 115.04 1i8p h LEU 78 Ca 0.01 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1i8p h LEU 78 Cb 0.44 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1i8p h LEU 78 CO -0.07 0.95 0.16 0.74 0.09 0.00 0.00 178.44 180.31 1i8p h THR 79 N 1.09 1.25 0.00 0.22 2.02 -0.95 -0.85 112.91 115.70 1i8p h THR 79 Ca 0.24 -0.92 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 1i8p h THR 79 Cb 0.26 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1i8p h THR 79 CO -0.01 0.35 -0.10 -0.33 0.37 0.00 0.00 175.52 175.80 1i8p h GLU 80 N 0.98 0.00 -0.08 6.66 5.08 -1.05 -1.23 114.58 124.94 1i8p h GLU 80 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1i8p h GLU 80 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1i8p h GLU 80 CO 0.00 0.10 0.00 1.63 -1.00 0.00 0.00 179.01 179.74 1i8p n LYS 81 N -3.75 1.50 -1.46 2.33 4.76 -0.77 -4.92 118.16 115.85 1i8p n LYS 81 Ca -0.02 -0.74 -0.00 0.00 -2.87 0.00 0.00 58.31 54.68 1i8p n LYS 81 Cb 0.20 -1.41 -0.00 0.00 -1.84 0.00 0.00 35.03 31.98 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 1.06 0.38 1.81 0.72 0.00 -0.46 -4.94 105.19 103.76 1i8p n GLY 82 Ca 0.17 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.10 2.24 -0.20 1.61 5.02 -0.40 -4.86 118.16 119.47 1i8p n LYS 83 Ca -0.00 -3.53 0.23 0.00 -2.02 0.00 0.00 58.31 52.98 1i8p n LYS 83 Cb 0.24 -1.67 0.61 0.00 -0.02 0.00 0.00 35.03 34.18 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 1.85 2.47 0.00 7.82 0.00 -1.79 0.23 119.26 129.85 1i8p h ALA 84 Ca 0.09 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1i8p h ALA 84 Cb 1.40 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1i8p h ALA 84 CO 0.36 -0.74 -0.13 0.38 0.00 0.00 0.00 179.25 179.12 1i8p h ASP 85 N 0.22 0.00 0.59 0.00 2.03 -1.92 -1.74 116.42 115.61 1i8p h ASP 85 Ca 0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.74 1i8p h ASP 85 Cb 1.38 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.88 1i8p h ASP 85 CO -0.10 0.13 -0.06 0.00 -1.03 0.00 0.00 179.24 178.18 1i8p n GLN 86 N -3.55 0.39 -0.95 4.15 6.02 0.07 -3.85 117.38 119.66 1i8p n GLN 86 Ca -0.01 -0.06 -0.06 0.00 -0.01 0.00 0.00 57.00 56.86 1i8p n GLN 86 Cb 0.27 -1.50 0.28 0.00 1.02 0.00 0.00 30.24 30.31 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 -1.25 4.47 0.22 -1.58 0.00 -0.65 -4.60 120.51 117.12 1i8p n ALA 87 Ca 0.12 -2.50 0.12 0.00 0.00 0.00 0.00 53.44 51.19 1i8p n ALA 87 Cb 0.28 -1.15 0.27 0.00 0.00 0.00 0.00 19.45 18.85 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 2.22 0.09 -2.24 0.00 -1.51 -1.71 -3.46 116.25 109.63 1i8p h VAL 88 Ca 0.27 -1.01 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 1i8p h VAL 88 Cb 2.21 1.93 0.00 0.00 -2.13 0.00 0.00 31.29 33.30 1i8p h VAL 88 CO 0.68 0.05 0.00 0.61 -1.23 0.00 0.00 177.57 177.67 1i8p n GLY 89 N 0.87 0.57 3.39 5.19 0.00 -1.26 -5.12 105.19 108.83 1i8p n GLY 89 Ca 0.03 -1.85 -0.20 0.00 0.00 0.00 0.00 46.02 44.00 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 0.81 1.62 0.45 1.61 -7.23 -1.26 -4.90 120.40 111.50 1i8p s VAL 90 Ca 0.00 -2.14 -0.10 0.00 -1.81 0.00 0.00 61.98 57.92 1i8p s VAL 90 Cb 0.00 -2.32 -0.06 0.00 0.56 0.00 0.00 36.38 34.56 1i8p s VAL 90 CO 0.00 -0.39 0.82 0.28 -0.31 0.00 0.00 175.10 175.50 1i8p s THR 91 N -3.04 4.77 0.32 5.32 -1.32 -1.26 -4.60 115.64 115.83 1i8p s THR 91 Ca 0.27 0.64 0.36 0.00 -1.21 0.00 0.00 61.69 61.76 1i8p s THR 91 Cb 0.03 -3.77 0.40 0.00 -1.51 0.00 0.00 72.50 67.64 1i8p s THR 91 CO 0.10 -0.66 2.12 0.11 -2.21 0.00 0.00 174.62 174.08 1i8p h LYS 92 N 0.88 0.00 -6.32 7.08 1.57 -1.98 -3.42 116.57 114.39 1i8p h LYS 92 Ca -0.47 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.77 1i8p h LYS 92 Cb 1.19 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.44 1i8p h LYS 92 CO 0.63 0.02 1.15 1.41 -0.57 0.00 0.00 179.45 182.09 1i8p s MET 93 N -3.88 3.17 0.00 3.15 1.75 -1.26 -4.89 119.30 117.33 1i8p s MET 93 Ca -0.01 0.42 0.27 0.00 -1.25 0.00 0.00 55.69 55.12 1i8p s MET 93 Cb 0.11 -4.18 0.96 0.00 2.84 0.00 0.00 34.83 34.56 1i8p s MET 93 CO 0.51 -2.11 1.70 0.25 -0.65 0.00 0.00 175.02 174.72 1i8p n THR 94 N 6.87 0.01 -3.43 10.11 -2.24 -1.26 -4.91 114.28 119.43 1i8p n THR 94 Ca 0.13 -0.28 -0.37 0.00 -2.27 0.00 0.00 64.05 61.27 1i8p n THR 94 Cb 0.50 0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 69.25 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 -1.99 3.68 0.08 4.78 2.19 -1.26 -5.10 117.98 120.35 1i8p s PHE 95 Ca 0.37 1.02 0.04 0.00 0.33 0.00 0.00 56.93 58.69 1i8p s PHE 95 Cb 0.21 -2.32 -0.03 0.00 -1.31 0.00 0.00 43.02 39.56 1i8p s PHE 95 CO 0.33 0.54 -0.11 0.15 1.83 0.00 0.00 175.22 177.96 1i8p s LYS 96 N -1.52 0.79 -0.27 10.12 1.02 -1.26 -4.76 119.74 123.85 1i8p s LYS 96 Ca 0.31 -1.03 0.01 0.00 0.02 0.00 0.00 55.97 55.28 1i8p s LYS 96 Cb -0.16 -0.60 0.08 0.00 -0.52 0.00 0.00 37.83 36.63 1i8p s LYS 96 CO 0.17 0.11 0.01 -1.17 -0.92 0.00 0.00 175.35 173.56 1i8p s LEU 97 N -2.07 2.88 0.17 3.17 2.96 -0.05 -5.02 118.68 120.73 1i8p s LEU 97 Ca 0.00 -1.49 -0.08 0.00 -0.22 0.00 0.00 54.13 52.35 1i8p s LEU 97 Cb -0.06 -1.16 0.05 0.00 0.50 0.00 0.00 46.19 45.52 1i8p s LEU 97 CO 0.01 -0.32 1.53 0.00 -1.32 0.00 0.00 176.35 176.25 1i8p h ALA 98 N 7.93 0.69 -2.26 5.97 0.00 -1.84 -3.30 119.26 126.44 1i8p h ALA 98 Ca -0.14 -0.44 -0.55 0.00 0.00 0.00 0.00 54.91 53.79 1i8p h ALA 98 Cb 1.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1i8p h ALA 98 CO 0.45 0.67 1.03 1.21 0.00 0.00 0.00 179.25 182.60 1i8p s ASN 99 N -6.82 6.73 0.23 0.00 3.84 -1.26 -4.91 114.94 112.75 1i8p s ASN 99 Ca -0.10 2.14 -0.05 0.00 0.21 0.00 0.00 52.86 55.06 1i8p s ASN 99 Cb 0.12 -2.54 0.23 0.00 -0.55 0.00 0.00 41.25 38.51 1i8p s ASN 99 CO 0.86 -0.87 1.74 -0.08 -2.79 0.00 0.00 177.10 175.95 1i8p h GLU 100 N 9.07 0.96 -0.52 0.43 4.81 -1.99 -2.33 114.58 125.00 1i8p h GLU 100 Ca -0.37 -0.25 -0.09 0.00 -0.13 0.00 0.00 59.36 58.52 1i8p h GLU 100 Cb 1.17 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1i8p h GLU 100 CO 0.95 0.90 -0.02 0.37 -0.73 0.00 0.00 179.01 180.48 1i8p h GLN 101 N 0.90 0.94 -0.86 1.92 5.75 -1.99 -1.06 115.11 120.70 1i8p h GLN 101 Ca 0.18 -0.31 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 1i8p h GLN 101 Cb 0.42 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.85 1i8p h GLN 101 CO 0.01 0.97 0.55 1.96 -2.65 0.00 0.00 178.83 179.67 1i8p h GLN 102 N 0.81 1.15 -0.44 1.69 4.20 -1.94 0.21 115.11 120.80 1i8p h GLN 102 Ca 0.15 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1i8p h GLN 102 Cb 0.56 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1i8p h GLN 102 CO 0.03 0.78 0.12 0.00 -0.67 0.00 0.00 178.83 179.09 1i8p h ARG 103 N 1.18 0.70 -0.56 1.46 3.08 -1.01 -0.71 114.38 118.52 1i8p h ARG 103 Ca 0.31 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 1i8p h ARG 103 Cb -0.10 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 1i8p h ARG 103 CO -0.06 0.69 -0.02 0.87 -1.07 0.00 0.00 179.97 180.38 1i8p h LYS 104 N 0.57 0.97 -0.33 0.04 1.57 -0.92 -1.32 116.57 117.15 1i8p h LYS 104 Ca 0.14 -0.30 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 1i8p h LYS 104 Cb 0.30 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1i8p h LYS 104 CO -0.00 0.97 -0.34 -0.44 -0.57 0.00 0.00 179.45 179.06 1i8p h ASP 105 N 0.89 0.88 0.36 0.86 3.32 -0.81 -1.17 116.42 120.74 1i8p h ASP 105 Ca 0.16 -0.47 -0.11 0.00 0.02 0.00 0.00 57.03 56.63 1i8p h ASP 105 Cb 0.54 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1i8p h ASP 105 CO 0.03 1.17 -0.45 1.62 -1.72 0.00 0.00 179.24 179.89 1i8p h VAL 106 N 0.60 1.33 -0.33 -1.35 3.04 -1.03 -1.91 116.25 116.60 1i8p h VAL 106 Ca 0.05 -1.60 -0.12 0.00 -1.01 0.00 0.00 66.70 64.03 1i8p h VAL 106 Cb 0.93 1.80 -0.01 0.00 -2.01 0.00 0.00 31.29 31.99 1i8p h VAL 106 CO 0.08 0.47 -0.27 0.58 -1.01 0.00 0.00 177.57 177.42 1i8p h VAL 107 N 0.10 1.28 -0.87 1.51 2.07 -1.09 -0.07 116.25 119.18 1i8p h VAL 107 Ca 0.01 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1i8p h VAL 107 Cb 0.85 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1i8p h VAL 107 CO 0.06 0.45 0.46 0.00 0.02 0.00 0.00 177.57 178.57 1i8p h ALA 108 N 1.11 1.17 -0.66 1.67 0.00 -0.86 -1.17 119.26 120.52 1i8p h ALA 108 Ca 0.07 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1i8p h ALA 108 Cb 0.77 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1i8p h ALA 108 CO 0.06 0.66 0.44 -0.92 0.00 0.00 0.00 179.25 179.48 1i8p h TYR 109 N 1.23 0.82 -0.53 0.00 3.20 -0.89 -2.80 116.97 117.99 1i8p h TYR 109 Ca 0.31 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.17 1i8p h TYR 109 Cb 0.05 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 1i8p h TYR 109 CO 0.01 0.52 0.23 -0.07 -1.64 0.00 0.00 178.16 177.21 1i8p h LEU 110 N 0.89 0.68 -1.70 2.82 3.38 -0.26 -1.08 115.31 120.04 1i8p h LEU 110 Ca 0.24 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1i8p h LEU 110 Cb -0.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1i8p h LEU 110 CO -0.06 0.60 0.00 0.00 0.09 0.00 0.00 178.44 179.08 1i8p h ALA 111 N 1.51 1.00 -0.02 1.53 0.00 -0.96 -0.27 119.26 122.03 1i8p h ALA 111 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1i8p h ALA 111 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1i8p h ALA 111 CO -0.02 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.48 1i8p n THR 112 N -2.58 0.00 -3.03 0.00 -2.24 -0.41 -4.70 114.28 101.32 1i8p n THR 112 Ca -0.01 -0.37 -0.44 0.00 -2.27 0.00 0.00 64.05 60.96 1i8p n THR 112 Cb 0.12 0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 69.30 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 -2.00 5.41 0.00 3.22 1.43 -0.12 -5.07 118.68 121.55 1i8p s LEU 113 Ca 0.33 -2.56 0.30 0.00 -1.03 0.00 0.00 54.13 51.17 1i8p s LEU 113 Cb 0.21 -2.36 1.81 0.00 0.03 0.00 0.00 46.19 45.88 1i8p s LEU 113 CO 0.32 -0.83 2.14 0.29 0.23 0.00 0.00 176.35 178.50