#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8h s ARG 18 N 0.00 0.61 0.00 1.43 1.04 -1.26 -4.99 118.95 115.78 3i8h s ARG 18 Ca 0.00 -0.38 -0.05 0.00 -1.04 0.00 0.00 55.73 54.25 3i8h s ARG 18 Cb 0.00 -2.06 -0.02 0.00 -2.04 0.00 0.00 34.95 30.83 3i8h s ARG 18 CO 0.00 -0.63 -0.11 1.63 -0.04 0.00 0.00 175.30 176.15 3i8h n LYS 19 N 5.07 0.17 0.00 3.89 4.76 -1.26 -5.12 118.16 125.67 3i8h n LYS 19 Ca -0.09 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 3i8h n LYS 19 Cb 0.47 -0.79 0.00 0.00 -1.84 0.00 0.00 35.03 32.87 3i8h n LYS 19 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i8h n ALA 20 N -3.75 0.00 0.00 7.82 0.00 -1.26 -4.98 120.51 118.34 3i8h n ALA 20 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3i8h n ALA 20 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3i8h n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i8h n LYS 21 N 0.00 0.00 0.00 0.00 5.02 -1.26 -4.68 118.16 117.24 3i8h n LYS 21 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3i8h n LYS 21 Cb 0.00 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 3i8h n LYS 21 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3i8h n VAL 22 N -0.77 0.00 0.00 -0.18 0.31 -1.25 -3.40 118.33 113.04 3i8h n VAL 22 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i8h n VAL 22 Cb 0.23 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 3i8h n VAL 22 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3i8h n LYS 23 N 0.00 0.00 -0.36 5.55 3.00 -0.95 0.16 118.16 125.56 3i8h n LYS 23 Ca 0.00 0.30 -0.00 0.00 -0.00 0.00 0.00 58.31 58.61 3i8h n LYS 23 Cb 0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 35.03 34.52 3i8h n LYS 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i8h n ALA 24 N -1.49 3.30 -0.17 3.14 0.00 -1.26 -2.34 120.51 121.69 3i8h n ALA 24 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3i8h n ALA 24 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.12 3i8h n ALA 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i8h n THR 25 N 1.68 0.15 -4.33 0.00 -1.04 0.43 -4.97 114.28 106.20 3i8h n THR 25 Ca 0.01 -0.49 -0.20 0.00 -2.04 0.00 0.00 64.05 61.33 3i8h n THR 25 Cb 0.36 1.06 -0.08 0.00 -1.82 0.00 0.00 70.33 69.85 3i8h n THR 25 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3i8h s LEU 26 N -0.15 1.72 0.00 -4.42 1.43 -0.99 -5.06 118.68 111.22 3i8h s LEU 26 Ca 0.00 -1.67 0.00 0.00 -1.03 0.00 0.00 54.13 51.43 3i8h s LEU 26 Cb 0.00 0.34 0.00 0.00 0.03 0.00 0.00 46.19 46.56 3i8h s LEU 26 CO 0.00 -0.98 0.00 0.61 0.23 0.00 0.00 176.35 176.21 3i8h n GLY 27 N -0.64 2.67 3.56 -3.19 0.00 -1.26 -4.99 105.19 101.33 3i8h n GLY 27 Ca 0.03 -2.15 -0.51 0.00 0.00 0.00 0.00 46.02 43.39 3i8h n GLY 27 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i8h n GLU 28 N -0.66 1.38 -4.30 1.61 1.02 -1.26 -4.92 120.64 113.50 3i8h n GLU 28 Ca 0.00 0.44 -0.20 0.00 -0.02 0.00 0.00 57.16 57.38 3i8h n GLU 28 Cb 0.00 -2.47 -0.13 0.00 -0.02 0.00 0.00 31.44 28.83 3i8h n GLU 28 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3i8h s PHE 29 N 5.89 1.34 -1.00 -0.32 -0.00 -1.26 -5.08 117.98 117.55 3i8h s PHE 29 Ca 1.03 -0.40 -0.23 0.00 -0.00 0.00 0.00 56.93 57.33 3i8h s PHE 29 Cb -0.84 -0.77 0.04 0.00 -0.00 0.00 0.00 43.02 41.45 3i8h s PHE 29 CO 0.52 0.07 1.50 0.34 -0.00 0.00 0.00 175.22 177.65 3i8h s ASP 30 N -1.45 6.34 0.00 1.98 -1.08 -1.26 -4.78 116.67 116.43 3i8h s ASP 30 Ca 0.01 -1.34 0.00 0.00 -0.52 0.00 0.00 52.55 50.70 3i8h s ASP 30 Cb -0.09 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 3i8h s ASP 30 CO 0.02 -1.65 0.42 0.00 0.52 0.00 0.00 175.17 174.48 3i8h n LEU 31 N 9.45 0.07 -0.35 -1.34 -0.00 -1.26 -0.42 117.00 123.15 3i8h n LEU 31 Ca 0.33 -0.03 0.08 0.00 -0.00 0.00 0.00 56.01 56.39 3i8h n LEU 31 Cb 0.51 -0.03 0.15 0.00 -0.00 0.00 0.00 43.42 44.05 3i8h n LEU 31 CO 0.65 0.02 0.45 -1.14 -0.00 0.00 0.00 177.39 177.38 3i8h n ARG 32 N -0.39 1.28 -5.04 1.47 0.63 -1.26 -4.09 116.66 109.26 3i8h n ARG 32 Ca 0.00 -2.75 -0.32 0.00 -0.92 0.00 0.00 57.85 53.86 3i8h n ARG 32 Cb 0.02 -1.43 -0.16 0.00 0.45 0.00 0.00 32.46 31.34 3i8h n ARG 32 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3i8h s ASP 33 N -2.88 3.47 0.00 6.15 3.68 0.44 -5.01 116.67 122.52 3i8h s ASP 33 Ca 0.33 -0.46 0.22 0.00 2.13 0.00 0.00 52.55 54.77 3i8h s ASP 33 Cb 0.30 -1.48 0.25 0.00 -1.45 0.00 0.00 42.92 40.53 3i8h s ASP 33 CO -0.02 0.16 1.25 0.00 0.13 0.00 0.00 175.17 176.70 3i8h n TYR 34 N 3.51 0.15 -0.07 -5.34 0.18 -1.26 -4.60 117.16 109.72 3i8h n TYR 34 Ca -0.19 -0.08 -0.03 0.00 1.88 0.00 0.00 57.90 59.49 3i8h n TYR 34 Cb 0.53 -0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.33 3i8h n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3i8h n ARG 35 N 1.30 0.70 -2.52 -3.48 1.74 -1.26 -4.37 116.66 108.77 3i8h n ARG 35 Ca 0.15 -0.07 -0.41 0.00 -0.77 0.00 0.00 57.85 56.74 3i8h n ARG 35 Cb 0.56 -1.51 -0.01 0.00 -1.02 0.00 0.00 32.46 30.48 3i8h n ARG 35 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i8h s ASN 36 N -5.12 6.58 0.00 0.55 2.20 -1.26 -4.87 114.94 113.02 3i8h s ASN 36 Ca -0.09 -2.16 0.00 0.00 -0.94 0.00 0.00 52.86 49.67 3i8h s ASN 36 Cb 0.09 -2.58 0.00 0.00 -2.00 0.00 0.00 41.25 36.76 3i8h s ASN 36 CO 0.85 -1.44 0.51 0.52 -2.94 0.00 0.00 177.10 174.60 3i8h n VAL 37 N 6.64 0.00 -0.04 3.54 0.31 -1.26 -2.26 118.33 125.27 3i8h n VAL 37 Ca 0.46 0.88 -0.01 0.00 -0.01 0.00 0.00 64.34 65.65 3i8h n VAL 37 Cb 0.47 -1.24 -0.01 0.00 -0.91 0.00 0.00 33.84 32.15 3i8h n VAL 37 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i8h n GLU 38 N -1.64 -0.04 -0.02 5.55 -0.58 -1.26 0.19 120.64 122.84 3i8h n GLU 38 Ca 0.00 0.37 -0.01 0.00 -0.42 0.00 0.00 57.16 57.10 3i8h n GLU 38 Cb 0.00 -0.55 -0.01 0.00 -0.57 0.00 0.00 31.44 30.31 3i8h n GLU 38 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3i8h h VAL 39 N 0.00 0.00 -0.35 2.62 2.07 -1.87 -2.45 116.25 116.26 3i8h h VAL 39 Ca 0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.57 3i8h h VAL 39 Cb 0.04 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.77 3i8h h VAL 39 CO -0.09 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.56 3i8h h LEU 40 N -0.02 0.16 -1.06 2.57 3.38 -0.62 -2.20 115.31 117.52 3i8h h LEU 40 Ca 0.01 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.17 3i8h h LEU 40 Cb 0.04 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3i8h h LEU 40 CO -0.06 0.13 0.92 0.50 0.09 0.00 0.00 178.44 180.01 3i8h h LYS 41 N 0.29 0.00 -0.08 1.13 3.64 0.26 0.50 116.57 122.30 3i8h h LYS 41 Ca 0.16 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.42 3i8h h LYS 41 Cb 0.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3i8h h LYS 41 CO -0.15 0.00 -0.47 0.00 -2.27 0.00 0.00 179.45 176.55 3i8h h ARG 42 N 0.00 0.20 -0.68 1.90 3.08 -1.02 -3.16 114.38 114.71 3i8h h ARG 42 Ca 0.25 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3i8h h ARG 42 Cb 2.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.15 3i8h h ARG 42 CO -0.00 0.64 0.00 1.19 -1.07 0.00 0.00 179.97 180.73 3i8h n PHE 43 N -3.97 0.50 -5.17 3.04 3.01 0.17 -4.86 117.46 110.18 3i8h n PHE 43 Ca -0.02 -0.19 -0.32 0.00 1.01 0.00 0.00 57.45 57.94 3i8h n PHE 43 Cb 0.52 -0.15 -0.15 0.00 -0.01 0.00 0.00 39.48 39.69 3i8h n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i8h s LEU 44 N -0.85 2.26 1.23 4.37 1.02 -1.20 -1.65 118.68 123.87 3i8h s LEU 44 Ca 0.15 -0.39 -0.18 0.00 0.02 0.00 0.00 54.13 53.73 3i8h s LEU 44 Cb 0.10 -1.41 0.30 0.00 0.02 0.00 0.00 46.19 45.20 3i8h s LEU 44 CO 0.06 0.32 1.03 -0.94 0.02 0.00 0.00 176.35 176.84 3i8h s SER 45 N -0.58 0.59 0.00 2.29 1.04 -0.38 -4.82 113.70 111.84 3i8h s SER 45 Ca 0.09 0.98 0.09 0.00 0.48 0.00 0.00 55.95 57.59 3i8h s SER 45 Cb -0.11 -1.47 0.55 0.00 0.10 0.00 0.00 66.02 65.10 3i8h s SER 45 CO 0.00 -4.37 1.35 -1.84 0.98 0.00 0.00 173.24 169.36 3i8h n GLU 46 N -4.97 0.99 -0.01 4.02 0.28 -1.26 -1.60 120.64 118.10 3i8h n GLU 46 Ca 0.09 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.16 3i8h n GLU 46 Cb 0.58 -1.15 -0.11 0.00 1.43 0.00 0.00 31.44 32.20 3i8h n GLU 46 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3i8h n THR 47 N -0.65 0.00 0.00 3.84 -2.24 -1.26 -4.74 114.28 109.24 3i8h n THR 47 Ca 0.07 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3i8h n THR 47 Cb 0.03 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 3i8h n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i8h n GLY 48 N 1.58 1.35 3.63 3.38 0.00 -0.63 0.17 105.19 114.68 3i8h n GLY 48 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3i8h n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8h s LYS 49 N -0.24 3.90 -0.31 1.61 1.02 -1.26 -4.48 119.74 119.98 3i8h s LYS 49 Ca 0.00 -0.35 -0.36 0.00 0.02 0.00 0.00 55.97 55.28 3i8h s LYS 49 Cb 0.00 -3.17 -0.12 0.00 -0.52 0.00 0.00 37.83 34.02 3i8h s LYS 49 CO 0.00 0.31 2.10 -0.89 -0.92 0.00 0.00 175.35 175.95 3i8h n ILE 50 N 3.42 0.24 -2.06 2.17 -0.00 -1.26 -1.24 119.36 120.63 3i8h n ILE 50 Ca -0.17 -0.22 -0.36 0.00 -0.00 0.00 0.00 62.75 62.01 3i8h n ILE 50 Cb 0.52 -1.61 0.03 0.00 -0.00 0.00 0.00 39.64 38.58 3i8h n ILE 50 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 3i8h s LEU 51 N 6.49 3.70 0.60 1.39 1.43 -0.66 -4.92 118.68 126.71 3i8h s LEU 51 Ca 1.06 2.36 -0.12 0.00 -1.03 0.00 0.00 54.13 56.41 3i8h s LEU 51 Cb -0.87 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 40.73 3i8h s LEU 51 CO 0.52 -1.51 1.01 -2.16 0.23 0.00 0.00 176.35 174.44 3i8h s PRO 52 N -3.29 3.65 0.30 1.29 0.04 -1.26 -4.78 135.00 130.95 3i8h s PRO 52 Ca 0.76 0.76 0.03 0.00 0.04 0.00 0.00 61.00 62.59 3i8h s PRO 52 Cb -0.30 -2.10 0.76 0.00 0.04 0.00 0.00 34.50 32.90 3i8h s PRO 52 CO 0.32 -0.51 1.63 0.00 0.04 0.00 0.00 177.00 178.48 3i8h h ARG 53 N -0.10 0.15 0.00 4.56 3.08 -1.95 -1.08 114.38 119.03 3i8h h ARG 53 Ca -0.45 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3i8h h ARG 53 Cb 1.19 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3i8h h ARG 53 CO 0.62 0.10 0.40 2.89 -1.07 0.00 0.00 179.97 182.91 3i8h n ARG 54 N -5.28 0.02 0.00 0.04 1.85 -1.26 0.21 116.66 112.24 3i8h n ARG 54 Ca 0.23 0.32 0.00 0.00 -1.00 0.00 0.00 57.85 57.40 3i8h n ARG 54 Cb 0.74 -1.98 0.00 0.00 -1.05 0.00 0.00 32.46 30.17 3i8h n ARG 54 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 3i8h n ARG 55 N -1.48 2.28 -0.06 2.89 1.85 -0.45 -4.76 116.66 116.93 3i8h n ARG 55 Ca -0.00 -0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.82 3i8h n ARG 55 Cb 0.41 -0.18 -0.15 0.00 -1.05 0.00 0.00 32.46 31.49 3i8h n ARG 55 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3i8h n THR 56 N -0.33 0.83 -1.85 8.89 -2.24 0.63 -3.78 114.28 116.43 3i8h n THR 56 Ca 0.00 -0.66 -0.15 0.00 -2.27 0.00 0.00 64.05 60.97 3i8h n THR 56 Cb 0.00 -0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 67.87 3i8h n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i8h n GLY 57 N 1.72 0.67 3.94 3.38 0.00 0.55 -2.24 105.19 113.22 3i8h n GLY 57 Ca -0.21 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 3i8h n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8h s LEU 58 N -3.87 3.85 0.00 0.99 1.02 -1.26 -4.88 118.68 114.52 3i8h s LEU 58 Ca 0.00 0.49 0.00 0.00 0.02 0.00 0.00 54.13 54.64 3i8h s LEU 58 Cb 0.00 -3.37 0.00 0.00 0.02 0.00 0.00 46.19 42.84 3i8h s LEU 58 CO 0.00 -0.46 0.00 -1.54 0.02 0.00 0.00 176.35 174.37 3i8h n SER 59 N -1.95 0.00 0.00 2.29 3.41 -1.26 -4.67 113.62 111.44 3i8h n SER 59 Ca -0.02 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 3i8h n SER 59 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3i8h n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i8h n ALA 60 N -3.00 -0.08 -0.28 7.33 0.00 -1.26 0.05 120.51 123.27 3i8h n ALA 60 Ca 0.00 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.77 3i8h n ALA 60 Cb 0.00 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.10 3i8h n ALA 60 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i8h h LYS 61 N 0.00 0.00 0.06 0.00 3.64 -1.99 0.68 116.57 118.96 3i8h h LYS 61 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 3i8h h LYS 61 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3i8h h LYS 61 CO 0.00 0.00 -0.62 0.93 -2.27 0.00 0.00 179.45 177.49 3i8h h GLU 62 N 0.00 0.12 -0.53 1.90 5.08 -1.93 -3.25 114.58 115.98 3i8h h GLU 62 Ca 0.54 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 3i8h h GLU 62 Cb 2.61 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.91 3i8h h GLU 62 CO -0.01 1.10 0.22 0.37 -1.00 0.00 0.00 179.01 179.70 3i8h h GLN 63 N -0.71 0.78 -0.32 2.33 5.75 0.42 -2.01 115.11 121.35 3i8h h GLN 63 Ca -0.13 -0.13 0.04 0.00 -0.15 0.00 0.00 58.65 58.27 3i8h h GLN 63 Cb 1.34 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 29.72 3i8h h GLN 63 CO 0.02 0.68 0.09 0.00 -2.65 0.00 0.00 178.83 176.97 3i8h h ARG 64 N 0.71 0.21 -0.73 1.69 3.08 -0.93 -1.65 114.38 116.75 3i8h h ARG 64 Ca 0.18 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 3i8h h ARG 64 Cb 0.18 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 3i8h h ARG 64 CO -0.02 0.14 0.46 0.82 -1.07 0.00 0.00 179.97 180.30 3i8h h ILE 65 N 0.22 1.20 0.40 2.04 2.04 -1.56 -2.33 117.51 119.51 3i8h h ILE 65 Ca 0.15 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3i8h h ILE 65 Cb 0.14 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3i8h h ILE 65 CO -0.17 0.20 -0.29 0.25 0.00 0.00 0.00 178.15 178.14 3i8h h LEU 66 N 1.00 -0.76 -0.19 1.44 5.85 -0.79 -2.04 115.31 119.81 3i8h h LEU 66 Ca 0.26 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.07 3i8h h LEU 66 Cb -0.06 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 3i8h h LEU 66 CO -0.05 -0.45 -0.51 0.00 -0.34 0.00 0.00 178.44 177.09 3i8h h ALA 67 N -0.17 -0.84 -0.82 1.25 0.00 -1.19 0.18 119.26 117.67 3i8h h ALA 67 Ca -0.04 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3i8h h ALA 67 Cb 0.59 1.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.29 3i8h h ALA 67 CO 0.00 -1.04 -0.49 -0.22 0.00 0.00 0.00 179.25 177.51 3i8h h LYS 68 N -0.50 -0.01 -0.49 0.00 1.63 -1.34 0.13 116.57 116.00 3i8h h LYS 68 Ca 0.04 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 3i8h h LYS 68 Cb 0.61 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.22 3i8h h LYS 68 CO -0.44 -0.00 0.22 1.79 -3.45 0.00 0.00 179.45 177.57 3i8h h THR 69 N -0.01 1.17 -0.41 1.00 1.35 -0.84 -1.72 112.91 113.45 3i8h h THR 69 Ca 0.13 -0.49 -0.04 0.00 -0.55 0.00 0.00 66.41 65.45 3i8h h THR 69 Cb 0.34 0.56 -0.02 0.00 -1.73 0.00 0.00 68.15 67.30 3i8h h THR 69 CO -0.77 0.20 0.08 0.40 -0.25 0.00 0.00 175.52 175.18 3i8h h ILE 70 N 0.69 1.24 0.13 6.82 2.04 0.12 -2.29 117.51 126.26 3i8h h ILE 70 Ca 0.17 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.21 3i8h h ILE 70 Cb 0.09 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3i8h h ILE 70 CO -0.02 0.29 -0.24 0.11 0.00 0.00 0.00 178.15 178.29 3i8h h LYS 71 N 0.52 -0.43 -0.68 2.37 1.57 -0.31 -1.87 116.57 117.74 3i8h h LYS 71 Ca 0.13 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.08 3i8h h LYS 71 Cb 0.35 0.10 -0.12 0.00 0.08 0.00 0.00 32.23 32.63 3i8h h LYS 71 CO 0.01 -0.29 -0.10 0.00 -0.57 0.00 0.00 179.45 178.50 3i8h h ARG 72 N -0.45 0.04 -0.15 3.15 3.08 -1.19 -1.12 114.38 117.74 3i8h h ARG 72 Ca 0.02 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.11 3i8h h ARG 72 Cb 0.46 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 3i8h h ARG 72 CO -0.12 0.03 -0.13 0.00 -1.07 0.00 0.00 179.97 178.67 3i8h h ALA 73 N 1.66 -0.02 -0.57 0.04 0.00 -0.80 -1.92 119.26 117.65 3i8h h ALA 73 Ca 0.34 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.43 3i8h h ALA 73 Cb 0.55 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 18.51 3i8h h ALA 73 CO -0.66 -0.57 -0.16 0.00 0.00 0.00 0.00 179.25 177.86 3i8h h ARG 74 N -0.15 -0.01 -0.02 0.00 3.08 -0.46 0.96 114.38 117.78 3i8h h ARG 74 Ca 0.10 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.15 3i8h h ARG 74 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3i8h h ARG 74 CO -0.24 -0.01 0.04 0.82 -1.07 0.00 0.00 179.97 179.52 3i8h h ILE 75 N -0.01 0.23 0.00 2.04 2.04 -0.80 0.21 117.51 121.22 3i8h h ILE 75 Ca 0.27 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.94 3i8h h ILE 75 Cb 0.43 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 3i8h h ILE 75 CO -0.60 0.00 -0.94 -0.07 0.00 0.00 0.00 178.15 176.54 3i8h h LEU 76 N 0.00 0.00 0.00 1.44 -0.00 0.16 -3.47 115.31 113.44 3i8h h LEU 76 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3i8h h LEU 76 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 3i8h h LEU 76 CO -0.00 0.89 0.00 0.61 -0.00 0.00 0.00 178.44 179.94 3i8h n GLY 77 N 1.34 0.96 0.08 0.83 0.00 0.74 -4.97 105.19 104.17 3i8h n GLY 77 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 3i8h n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i8h h LEU 78 N 0.00 0.00 -8.79 0.99 3.38 -1.64 -3.47 115.31 105.78 3i8h h LEU 78 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 3i8h h LEU 78 Cb 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.54 3i8h h LEU 78 CO 0.00 0.86 -0.83 -0.76 0.09 0.00 0.00 178.44 177.80 3i8h s LEU 79 N -6.15 2.34 0.42 1.67 1.43 -1.24 -4.92 118.68 112.24 3i8h s LEU 79 Ca -0.03 -0.75 -0.24 0.00 -1.03 0.00 0.00 54.13 52.09 3i8h s LEU 79 Cb 0.08 -0.98 -0.08 0.00 0.03 0.00 0.00 46.19 45.24 3i8h s LEU 79 CO 0.82 0.08 1.09 -2.84 0.23 0.00 0.00 176.35 175.72 3i8h s PRO 80 N -2.16 4.02 -0.07 1.29 0.02 -1.26 -4.24 135.00 132.60 3i8h s PRO 80 Ca 0.11 1.61 0.17 0.00 0.02 0.00 0.00 61.00 62.91 3i8h s PRO 80 Cb -0.09 -2.49 -0.22 0.00 0.02 0.00 0.00 34.50 31.71 3i8h s PRO 80 CO 0.06 -0.29 0.46 1.19 -0.33 0.00 0.00 177.00 178.08 3i8h n PHE 81 N -0.23 0.47 -3.57 6.54 3.01 -1.26 -4.90 117.46 117.53 3i8h n PHE 81 Ca 0.06 0.16 -0.08 0.00 1.01 0.00 0.00 57.45 58.60 3i8h n PHE 81 Cb 0.49 -0.99 -0.04 0.00 -0.01 0.00 0.00 39.48 38.93 3i8h n PHE 81 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3i8h s THR 82 N -2.78 0.00 -0.23 4.37 2.01 -1.26 -4.79 115.64 112.96 3i8h s THR 82 Ca -0.07 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.80 3i8h s THR 82 Cb 0.08 -1.00 0.07 0.00 0.01 0.00 0.00 72.50 71.66 3i8h s THR 82 CO 0.83 0.00 0.56 -1.83 -0.69 0.00 0.00 174.62 173.49 3i8h s GLU 83 N -1.76 0.57 0.22 4.92 -1.05 0.44 -4.90 118.70 117.15 3i8h s GLU 83 Ca 0.03 1.01 -0.30 0.00 -0.15 0.00 0.00 54.97 55.56 3i8h s GLU 83 Cb -0.01 0.08 -0.16 0.00 -0.44 0.00 0.00 34.13 33.60 3i8h s GLU 83 CO -0.03 -0.15 0.88 0.36 0.95 0.00 0.00 175.26 177.27 3i8h n LYS 84 N 4.21 0.79 -2.42 -4.83 2.85 -1.26 -4.21 118.16 113.29 3i8h n LYS 84 Ca -0.21 0.28 -0.41 0.00 -1.05 0.00 0.00 58.31 56.92 3i8h n LYS 84 Cb 0.57 -1.55 -0.04 0.00 -0.65 0.00 0.00 35.03 33.36 3i8h n LYS 84 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3i8h s LEU 85 N 1.33 4.49 -0.13 -5.58 2.96 -1.26 -4.84 118.68 115.64 3i8h s LEU 85 Ca 0.65 2.24 -0.03 0.00 -0.22 0.00 0.00 54.13 56.77 3i8h s LEU 85 Cb -0.84 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.21 3i8h s LEU 85 CO 0.57 -0.28 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.59 3i8h s VAL 86 N -0.48 3.92 -0.18 1.68 1.01 -1.26 -4.89 120.40 120.20 3i8h s VAL 86 Ca 0.49 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 3i8h s VAL 86 Cb -0.32 -2.69 0.04 0.00 0.00 0.00 0.00 36.38 33.41 3i8h s VAL 86 CO 0.39 0.52 0.20 0.54 0.00 0.00 0.00 175.10 176.75 3i8h n ARG 87 N 3.14 -4.16 0.00 2.72 5.12 -1.26 -5.23 116.66 117.00 3i8h n ARG 87 Ca -0.18 3.17 0.09 0.00 -1.93 0.00 0.00 57.85 59.01 3i8h n ARG 87 Cb 0.53 -4.66 0.08 0.00 -1.16 0.00 0.00 32.46 27.25 3i8h n ARG 87 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87