#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6s s LYS 2 N 0.00 0.44 -0.09 2.12 2.47 -0.94 -5.00 119.74 118.73 3a6s s LYS 2 Ca 0.00 -0.79 -0.00 0.00 -1.56 0.00 0.00 55.97 53.62 3a6s s LYS 2 Cb 0.00 0.02 -0.03 0.00 -1.46 0.00 0.00 37.83 36.36 3a6s s LYS 2 CO 0.00 -0.04 -0.08 0.15 0.16 0.00 0.00 175.35 175.55 3a6s s LYS 3 N -2.04 3.02 -0.21 4.03 1.02 -1.26 -1.48 119.74 122.82 3a6s s LYS 3 Ca -0.09 -0.57 0.01 0.00 0.02 0.00 0.00 55.97 55.34 3a6s s LYS 3 Cb -0.06 -2.65 0.04 0.00 -0.52 0.00 0.00 37.83 34.65 3a6s s LYS 3 CO -0.02 0.51 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.63 3a6s s LEU 4 N -0.39 2.48 0.01 3.17 2.96 0.02 -4.95 118.68 121.98 3a6s s LEU 4 Ca 0.05 -0.96 0.06 0.00 -0.22 0.00 0.00 54.13 53.06 3a6s s LEU 4 Cb -0.12 -1.32 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 3a6s s LEU 4 CO 0.02 -0.14 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.66 3a6s s GLN 5 N 1.33 2.25 -0.06 1.98 -0.21 -1.26 -2.13 119.66 121.55 3a6s s GLN 5 Ca -0.02 -0.87 0.03 0.00 0.02 0.00 0.00 55.36 54.52 3a6s s GLN 5 Cb -0.17 -2.28 0.01 0.00 1.00 0.00 0.00 33.01 31.58 3a6s s GLN 5 CO -0.08 0.57 -0.14 0.42 -2.12 0.00 0.00 175.29 173.94 3a6s s ILE 6 N -0.88 1.25 -0.20 1.08 1.01 -0.37 -0.52 121.20 122.57 3a6s s ILE 6 Ca 0.14 -0.56 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 3a6s s ILE 6 Cb -0.11 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 3a6s s ILE 6 CO 0.04 0.38 0.14 0.00 0.00 0.00 0.00 174.94 175.50 3a6s s ALA 7 N 0.52 3.69 -0.04 9.38 0.00 0.08 -0.48 121.76 134.91 3a6s s ALA 7 Ca -0.13 -0.68 0.06 0.00 0.00 0.00 0.00 51.96 51.21 3a6s s ALA 7 Cb -0.15 -2.18 -0.01 0.00 0.00 0.00 0.00 23.12 20.78 3a6s s ALA 7 CO 0.04 0.16 -0.22 0.08 0.00 0.00 0.00 175.76 175.81 3a6s s VAL 8 N 0.36 1.82 -0.19 0.00 1.01 0.14 -1.39 120.40 122.15 3a6s s VAL 8 Ca 0.08 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 3a6s s VAL 8 Cb -0.11 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 3a6s s VAL 8 CO -0.02 0.51 -0.04 -0.83 0.00 0.00 0.00 175.10 174.72 3a6s s GLY 9 N -0.24 1.64 -0.51 4.51 0.00 -0.03 -0.87 107.32 111.81 3a6s s GLY 9 Ca 0.01 -1.04 -0.08 0.00 0.00 0.00 0.00 44.72 43.60 3a6s s GLY 9 CO 0.02 0.23 0.38 -0.42 0.00 0.00 0.00 173.10 173.31 3a6s s ILE 10 N 1.07 4.20 -0.30 0.90 1.01 0.41 -3.94 121.20 124.54 3a6s s ILE 10 Ca 0.01 -2.00 -0.22 0.00 0.00 0.00 0.00 60.65 58.44 3a6s s ILE 10 Cb -0.15 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 3a6s s ILE 10 CO 0.00 -0.80 0.70 -0.63 0.00 0.00 0.00 174.94 174.21 3a6s s ILE 11 N 1.08 4.88 -0.13 2.92 1.01 -1.26 -0.74 121.20 128.96 3a6s s ILE 11 Ca 0.08 1.04 0.02 0.00 0.00 0.00 0.00 60.65 61.79 3a6s s ILE 11 Cb -0.24 -4.06 -0.00 0.00 0.01 0.00 0.00 42.46 38.17 3a6s s ILE 11 CO -0.02 -0.17 -0.19 -0.60 0.00 0.00 0.00 174.94 173.96 3a6s s ARG 12 N 2.75 3.15 0.45 2.79 3.52 -0.69 -1.47 118.95 129.44 3a6s s ARG 12 Ca 0.28 -0.81 -0.02 0.00 -0.13 0.00 0.00 55.73 55.06 3a6s s ARG 12 Cb -0.15 -2.47 0.09 0.00 -1.56 0.00 0.00 34.95 30.87 3a6s s ARG 12 CO 0.12 0.11 0.61 0.27 -0.81 0.00 0.00 175.30 175.60 3a6s n ASN 13 N 3.74 0.59 0.30 -2.12 0.23 -0.34 -4.60 115.26 113.07 3a6s n ASN 13 Ca -0.19 -1.56 0.18 0.00 -0.53 0.00 0.00 54.58 52.49 3a6s n ASN 13 Cb 0.52 -0.42 0.96 0.00 -2.08 0.00 0.00 39.78 38.76 3a6s n ASN 13 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3a6s h GLU 14 N 0.00 0.00 -0.85 -3.83 4.81 -1.93 -2.77 114.58 110.02 3a6s h GLU 14 Ca -0.20 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.69 3a6s h GLU 14 Cb 0.69 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 29.86 3a6s h GLU 14 CO 0.19 0.03 0.43 0.09 -0.73 0.00 0.00 179.01 179.02 3a6s n ASN 15 N -3.33 4.41 -3.89 1.04 5.03 -1.26 -4.91 115.26 112.35 3a6s n ASN 15 Ca -0.02 -3.39 -0.30 0.00 0.87 0.00 0.00 54.58 51.75 3a6s n ASN 15 Cb 0.16 -0.79 0.03 0.00 -1.02 0.00 0.00 39.78 38.17 3a6s n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3a6s n ASN 16 N -0.56 -4.91 -4.62 6.41 5.15 -1.04 -4.94 115.26 110.76 3a6s n ASN 16 Ca 0.49 -0.76 -0.31 0.00 -0.60 0.00 0.00 54.58 53.40 3a6s n ASN 16 Cb 1.51 -3.98 -0.10 0.00 -0.53 0.00 0.00 39.78 36.69 3a6s n ASN 16 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3a6s s GLU 17 N -6.59 2.49 0.06 1.20 2.02 -1.26 -3.37 118.70 113.25 3a6s s GLU 17 Ca 0.65 -0.80 0.08 0.00 0.02 0.00 0.00 54.97 54.92 3a6s s GLU 17 Cb -0.32 -2.49 -0.03 0.00 0.10 0.00 0.00 34.13 31.39 3a6s s GLU 17 CO 0.82 0.57 -0.21 0.96 0.02 0.00 0.00 175.26 177.42 3a6s s ILE 18 N -1.13 2.57 -0.37 -1.63 -4.36 -0.30 -1.20 121.20 114.79 3a6s s ILE 18 Ca 0.20 -1.34 -0.24 0.00 -0.26 0.00 0.00 60.65 59.02 3a6s s ILE 18 Cb -0.11 -2.08 0.01 0.00 1.25 0.00 0.00 42.46 41.53 3a6s s ILE 18 CO 0.12 0.29 0.81 0.12 0.24 0.00 0.00 174.94 176.52 3a6s s PHE 19 N -0.93 3.10 0.10 1.37 5.36 -0.54 -1.06 117.98 125.38 3a6s s PHE 19 Ca 0.14 0.58 0.08 0.00 -0.96 0.00 0.00 56.93 56.77 3a6s s PHE 19 Cb -0.10 -3.46 -0.03 0.00 -0.34 0.00 0.00 43.02 39.08 3a6s s PHE 19 CO 0.05 -0.76 -0.20 0.96 -1.46 0.00 0.00 175.22 173.81 3a6s s ILE 20 N 3.18 1.63 0.10 3.12 -5.25 -0.65 -4.60 121.20 118.73 3a6s s ILE 20 Ca 0.33 -1.54 0.02 0.00 -0.99 0.00 0.00 60.65 58.46 3a6s s ILE 20 Cb -0.13 -1.51 -0.04 0.00 2.95 0.00 0.00 42.46 43.73 3a6s s ILE 20 CO 0.17 -0.11 0.19 0.42 -1.79 0.00 0.00 174.94 173.83 3a6s s THR 21 N -1.26 5.10 0.59 8.37 -4.23 0.39 -1.37 115.64 123.23 3a6s s THR 21 Ca 0.06 -0.62 -0.02 0.00 -1.18 0.00 0.00 61.69 59.94 3a6s s THR 21 Cb -0.10 -3.53 0.04 0.00 1.34 0.00 0.00 72.50 70.25 3a6s s THR 21 CO 0.04 0.05 0.85 -0.60 -0.54 0.00 0.00 174.62 174.42 3a6s s ARG 22 N -2.73 2.49 -0.31 3.99 6.06 -1.26 -1.24 118.95 125.94 3a6s s ARG 22 Ca 0.33 -0.56 -0.02 0.00 -2.50 0.00 0.00 55.73 52.98 3a6s s ARG 22 Cb -0.12 -2.38 0.11 0.00 0.06 0.00 0.00 34.95 32.62 3a6s s ARG 22 CO 0.26 -0.85 2.39 0.09 -2.50 0.00 0.00 175.30 174.70 3a6s n ASN 31 N -2.52 6.29 -4.79 -2.12 3.02 -1.26 -4.98 115.26 108.90 3a6s n ASN 31 Ca 0.07 -3.02 -0.34 0.00 -0.03 0.00 0.00 54.58 51.27 3a6s n ASN 31 Cb 0.60 -1.15 -0.02 0.00 -0.61 0.00 0.00 39.78 38.60 3a6s n ASN 31 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3a6s s LYS 32 N -1.42 3.64 0.16 3.52 -0.14 -1.26 -5.03 119.74 119.21 3a6s s LYS 32 Ca 0.41 1.37 -0.13 0.00 -1.36 0.00 0.00 55.97 56.25 3a6s s LYS 32 Cb 0.28 -2.07 -0.07 0.00 -1.68 0.00 0.00 37.83 34.29 3a6s s LYS 32 CO -0.07 -0.57 0.54 -0.51 -0.76 0.00 0.00 175.35 173.98 3a6s s LEU 33 N -3.73 4.31 0.12 3.17 1.43 0.68 -4.99 118.68 119.67 3a6s s LEU 33 Ca 0.67 1.03 -0.12 0.00 -1.03 0.00 0.00 54.13 54.69 3a6s s LEU 33 Cb -0.17 -3.33 0.01 0.00 0.03 0.00 0.00 46.19 42.73 3a6s s LEU 33 CO 0.24 0.07 0.29 -1.61 0.23 0.00 0.00 176.35 175.58 3a6s s GLU 34 N -2.12 0.99 0.18 1.70 2.02 -0.37 -3.99 118.70 117.11 3a6s s GLU 34 Ca 0.39 -0.89 -0.04 0.00 0.02 0.00 0.00 54.97 54.45 3a6s s GLU 34 Cb -0.14 0.40 -0.05 0.00 0.10 0.00 0.00 34.13 34.43 3a6s s GLU 34 CO 0.19 -0.36 0.41 -0.06 0.02 0.00 0.00 175.26 175.47 3a6s s PHE 35 N -3.86 3.47 0.49 1.61 0.08 -1.26 -0.46 117.98 118.05 3a6s s PHE 35 Ca 0.06 0.55 -0.22 0.00 0.12 0.00 0.00 56.93 57.44 3a6s s PHE 35 Cb 0.03 -2.01 -0.07 0.00 -0.57 0.00 0.00 43.02 40.41 3a6s s PHE 35 CO -0.10 0.38 1.14 -1.25 -0.10 0.00 0.00 175.22 175.29 3a6s s PRO 36 N -2.91 3.65 0.00 0.24 0.04 -1.25 -4.86 135.00 129.90 3a6s s PRO 36 Ca 0.41 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.13 3a6s s PRO 36 Cb -0.12 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.17 3a6s s PRO 36 CO 0.26 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.09 3a6s n GLY 37 N 0.29 -0.08 2.70 0.56 0.00 -1.26 -0.85 105.19 106.55 3a6s n GLY 37 Ca 0.09 -1.11 0.01 0.00 0.00 0.00 0.00 46.02 45.01 3a6s n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6s n GLY 38 N -0.58 0.46 3.77 -0.02 0.00 -0.49 -4.98 105.19 103.35 3a6s n GLY 38 Ca 0.00 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 3a6s n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a6s s LYS 39 N -2.02 4.25 -0.27 1.61 2.20 -1.26 -0.74 119.74 123.52 3a6s s LYS 39 Ca 0.19 2.36 -0.25 0.00 -0.36 0.00 0.00 55.97 57.92 3a6s s LYS 39 Cb -0.01 -3.04 -0.00 0.00 -1.51 0.00 0.00 37.83 33.27 3a6s s LYS 39 CO 0.01 -0.36 0.84 0.42 -0.36 0.00 0.00 175.35 175.89 3a6s s ILE 40 N -0.88 4.79 1.02 5.43 1.01 0.33 -4.82 121.20 128.08 3a6s s ILE 40 Ca 0.53 1.46 -0.14 0.00 0.00 0.00 0.00 60.65 62.50 3a6s s ILE 40 Cb -0.43 -4.15 0.20 0.00 0.01 0.00 0.00 42.46 38.09 3a6s s ILE 40 CO 0.54 -0.17 1.12 -1.61 0.00 0.00 0.00 174.94 174.83 3a6s s GLU 41 N 2.95 0.21 0.10 2.79 0.41 -1.26 -4.71 118.70 119.19 3a6s s GLU 41 Ca 0.35 0.27 -0.31 0.00 -0.41 0.00 0.00 54.97 54.87 3a6s s GLU 41 Cb -0.15 -1.73 -0.08 0.00 -1.78 0.00 0.00 34.13 30.39 3a6s s GLU 41 CO 0.10 -2.82 1.50 0.00 -0.49 0.00 0.00 175.26 173.55 3a6s s MET 42 N -5.18 4.26 -0.02 1.61 0.23 -1.26 -2.36 119.30 116.57 3a6s s MET 42 Ca 0.67 2.19 0.00 0.00 -1.03 0.00 0.00 55.69 57.52 3a6s s MET 42 Cb -0.15 -3.37 0.00 0.00 -1.53 0.00 0.00 34.83 29.78 3a6s s MET 42 CO 0.56 -0.58 0.00 0.41 -2.03 0.00 0.00 175.02 173.38 3a6s n GLY 43 N 3.71 0.46 3.62 3.16 0.00 -1.26 -5.02 105.19 109.86 3a6s n GLY 43 Ca 0.13 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3a6s n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a6s s GLU 44 N -0.34 3.13 0.56 1.61 2.12 -1.00 -5.12 118.70 119.67 3a6s s GLU 44 Ca 0.00 -0.45 -0.08 0.00 0.36 0.00 0.00 54.97 54.79 3a6s s GLU 44 Cb 0.00 -2.80 -0.03 0.00 0.26 0.00 0.00 34.13 31.55 3a6s s GLU 44 CO 0.00 0.58 0.92 0.95 -0.54 0.00 0.00 175.26 177.17 3a6s s THR 45 N -0.55 4.70 0.27 -1.70 -4.23 -1.26 -4.74 115.64 108.13 3a6s s THR 45 Ca 0.09 0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 61.11 3a6s s THR 45 Cb -0.12 -3.83 0.28 0.00 1.34 0.00 0.00 72.50 70.17 3a6s s THR 45 CO 0.02 -0.97 1.86 -0.65 -0.54 0.00 0.00 174.62 174.35 3a6s h PRO 46 N -0.09 1.07 -0.26 3.99 0.11 -1.99 -0.14 132.00 134.69 3a6s h PRO 46 Ca -0.45 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 3a6s h PRO 46 Cb 1.20 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3a6s h PRO 46 CO 0.62 0.71 -0.00 0.93 -0.21 0.00 0.00 178.00 180.05 3a6s h GLU 47 N 1.11 0.47 -0.69 1.05 3.07 -2.00 -2.28 114.58 115.30 3a6s h GLU 47 Ca 0.46 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 59.14 3a6s h GLU 47 Cb 0.30 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 3a6s h GLU 47 CO -0.21 0.63 0.30 1.96 -1.40 0.00 0.00 179.01 180.29 3a6s h GLN 48 N 0.25 0.99 -0.51 2.33 4.20 -1.80 -2.77 115.11 117.80 3a6s h GLN 48 Ca 0.07 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 3a6s h GLN 48 Cb 0.42 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3a6s h GLN 48 CO 0.01 0.79 0.13 0.00 -0.67 0.00 0.00 178.83 179.09 3a6s h ALA 49 N 1.35 0.67 -0.19 3.87 0.00 -0.85 -0.84 119.26 123.26 3a6s h ALA 49 Ca 0.24 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3a6s h ALA 49 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3a6s h ALA 49 CO -0.03 0.36 -0.29 -0.24 0.00 0.00 0.00 179.25 179.05 3a6s h VAL 50 N 0.70 1.27 -0.10 0.00 3.04 -1.31 0.59 116.25 120.44 3a6s h VAL 50 Ca 0.16 -1.30 -0.02 0.00 -1.01 0.00 0.00 66.70 64.53 3a6s h VAL 50 Cb 0.33 1.45 -0.00 0.00 -2.01 0.00 0.00 31.29 31.06 3a6s h VAL 50 CO 0.00 0.40 -0.03 0.58 -1.01 0.00 0.00 177.57 177.52 3a6s h VAL 51 N 0.32 1.29 -0.41 1.51 2.07 -1.23 -2.05 116.25 117.75 3a6s h VAL 51 Ca 0.04 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 3a6s h VAL 51 Cb 0.69 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 3a6s h VAL 51 CO 0.05 0.27 0.16 -0.09 0.02 0.00 0.00 177.57 177.98 3a6s h ARG 52 N -0.12 0.63 -0.72 1.57 2.43 -0.97 -1.22 114.38 115.98 3a6s h ARG 52 Ca 0.03 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3a6s h ARG 52 Cb 0.44 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 3a6s h ARG 52 CO 0.01 0.59 0.46 0.93 -1.51 0.00 0.00 179.97 180.45 3a6s h GLU 53 N 0.53 0.87 -0.02 0.20 4.39 -0.88 -0.16 114.58 119.50 3a6s h GLU 53 Ca 0.14 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.63 3a6s h GLU 53 Cb 0.21 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3a6s h GLU 53 CO -0.01 0.57 -0.71 -0.07 -1.16 0.00 0.00 179.01 177.63 3a6s h LEU 54 N 0.89 0.13 -0.53 1.33 4.07 -1.21 0.26 115.31 120.25 3a6s h LEU 54 Ca 0.29 -0.09 -0.10 0.00 0.08 0.00 0.00 57.88 58.06 3a6s h LEU 54 Cb 0.01 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 3a6s h LEU 54 CO -0.11 0.80 -0.06 1.56 -1.08 0.00 0.00 178.44 179.55 3a6s h GLN 55 N 0.07 0.97 0.04 1.13 4.20 -0.66 -0.90 115.11 119.97 3a6s h GLN 55 Ca -0.02 -0.34 -0.16 0.00 0.06 0.00 0.00 58.65 58.19 3a6s h GLN 55 Cb 1.26 -0.07 0.02 0.00 0.30 0.00 0.00 27.48 28.98 3a6s h GLN 55 CO 0.10 1.01 -0.67 0.93 -0.67 0.00 0.00 178.83 179.54 3a6s h GLU 56 N 0.84 0.38 0.00 1.46 5.08 -0.92 -2.94 114.58 118.49 3a6s h GLU 56 Ca 0.14 -0.46 -0.26 0.00 -1.00 0.00 0.00 59.36 57.77 3a6s h GLU 56 Cb 0.62 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 3a6s h GLU 56 CO 0.04 1.15 -1.55 0.93 -1.00 0.00 0.00 179.01 178.58 3a6s h GLU 57 N -0.17 0.00 0.00 2.33 4.39 -1.03 -3.42 114.58 116.68 3a6s h GLU 57 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3a6s h GLU 57 Cb 1.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 3a6s h GLU 57 CO 0.13 0.54 0.00 1.33 -1.16 0.00 0.00 179.01 179.85 3a6s n VAL 58 N -3.07 0.00 -1.57 3.13 0.24 -0.71 -2.97 118.33 113.37 3a6s n VAL 58 Ca -0.13 -0.39 -0.04 0.00 -2.04 0.00 0.00 64.34 61.74 3a6s n VAL 58 Cb 1.01 1.14 -0.01 0.00 -1.47 0.00 0.00 33.84 34.50 3a6s n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a6s n GLY 59 N 0.28 0.44 3.30 7.63 0.00 -0.42 -1.47 105.19 114.95 3a6s n GLY 59 Ca 0.00 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 45.01 3a6s n GLY 59 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a6s s ILE 60 N -2.15 1.51 -0.34 -0.61 -4.36 -1.07 -3.98 121.20 110.20 3a6s s ILE 60 Ca 0.00 -2.03 -0.01 0.00 -0.26 0.00 0.00 60.65 58.34 3a6s s ILE 60 Cb 0.00 -1.86 0.08 0.00 1.25 0.00 0.00 42.46 41.93 3a6s s ILE 60 CO 0.00 -0.56 0.08 -0.89 0.24 0.00 0.00 174.94 173.80 3a6s s THR 61 N -2.77 3.01 0.25 8.37 2.01 -0.05 -2.10 115.64 124.37 3a6s s THR 61 Ca 0.17 -1.73 -0.31 0.00 0.31 0.00 0.00 61.69 60.14 3a6s s THR 61 Cb -0.01 -2.90 -0.12 0.00 0.01 0.00 0.00 72.50 69.47 3a6s s THR 61 CO 0.04 -0.36 1.62 -2.65 -0.69 0.00 0.00 174.62 172.58 3a6s n PRO 62 N 4.57 2.61 -0.05 4.92 -0.02 -1.26 -1.55 135.00 144.22 3a6s n PRO 62 Ca -0.07 0.93 -0.09 0.00 -2.02 0.00 0.00 63.50 62.25 3a6s n PRO 62 Cb 0.42 -2.72 -0.04 0.00 -0.02 0.00 0.00 33.50 31.14 3a6s n PRO 62 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3a6s n GLN 63 N 2.81 0.24 -4.06 -0.52 6.02 0.35 -4.91 117.38 117.30 3a6s n GLN 63 Ca 0.12 0.08 -0.33 0.00 -0.01 0.00 0.00 57.00 56.86 3a6s n GLN 63 Cb 0.35 -1.03 -0.15 0.00 1.02 0.00 0.00 30.24 30.43 3a6s n GLN 63 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3a6s s HIS 64 N -2.20 3.07 0.10 1.08 5.04 -0.57 -5.00 115.29 116.81 3a6s s HIS 64 Ca -0.14 -1.93 -0.16 0.00 -1.54 0.00 0.00 55.06 51.28 3a6s s HIS 64 Cb 0.05 -1.96 0.03 0.00 0.04 0.00 0.00 32.58 30.74 3a6s s HIS 64 CO 0.21 -0.82 0.39 -0.59 -2.34 0.00 0.00 174.74 171.58 3a6s s PHE 65 N 1.21 -0.20 0.02 3.88 -0.71 -1.26 -1.70 117.98 119.23 3a6s s PHE 65 Ca -0.02 -0.05 -0.10 0.00 -1.04 0.00 0.00 56.93 55.71 3a6s s PHE 65 Cb -0.17 0.23 0.01 0.00 -1.21 0.00 0.00 43.02 41.88 3a6s s PHE 65 CO -0.07 -0.66 0.21 -1.54 -1.34 0.00 0.00 175.22 171.82 3a6s s SER 66 N -2.60 -0.02 0.00 1.98 1.04 -0.71 -4.96 113.70 108.43 3a6s s SER 66 Ca 0.01 -0.24 -0.30 0.00 0.48 0.00 0.00 55.95 55.90 3a6s s SER 66 Cb 0.01 0.28 -0.06 0.00 0.10 0.00 0.00 66.02 66.35 3a6s s SER 66 CO -0.09 -0.50 1.57 -0.22 0.98 0.00 0.00 173.24 174.98 3a6s s LEU 67 N -1.78 4.33 -0.25 2.42 2.96 -1.26 -0.76 118.68 124.34 3a6s s LEU 67 Ca -0.09 2.27 0.04 0.00 -0.22 0.00 0.00 54.13 56.13 3a6s s LEU 67 Cb -0.03 -3.55 -0.18 0.00 0.50 0.00 0.00 46.19 42.93 3a6s s LEU 67 CO -0.01 -0.85 -0.18 0.33 -1.32 0.00 0.00 176.35 174.32 3a6s n PHE 68 N 6.09 0.00 -3.56 5.38 7.35 0.11 -4.88 117.46 127.96 3a6s n PHE 68 Ca 0.15 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.68 3a6s n PHE 68 Cb 0.42 -0.98 -0.06 0.00 0.35 0.00 0.00 39.48 39.21 3a6s n PHE 68 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3a6s s GLU 69 N -2.50 1.00 -0.11 -4.13 2.56 -1.03 -5.02 118.70 109.46 3a6s s GLU 69 Ca -0.31 0.10 -0.04 0.00 0.00 0.00 0.00 54.97 54.73 3a6s s GLU 69 Cb 0.08 0.47 0.05 0.00 2.00 0.00 0.00 34.13 36.73 3a6s s GLU 69 CO 0.62 -0.32 0.10 0.21 -0.56 0.00 0.00 175.26 175.31 3a6s s LYS 70 N -1.45 0.02 -0.07 4.30 2.20 -1.26 -0.74 119.74 122.74 3a6s s LYS 70 Ca -0.10 0.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.74 3a6s s LYS 70 Cb -0.01 -1.04 -0.03 0.00 -1.51 0.00 0.00 37.83 35.24 3a6s s LYS 70 CO 0.07 -0.49 -0.09 -0.51 -0.36 0.00 0.00 175.35 173.97 3a6s s LEU 71 N 2.20 3.04 -0.05 5.43 1.43 -0.59 -4.95 118.68 125.18 3a6s s LEU 71 Ca 0.04 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 3a6s s LEU 71 Cb -0.14 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 3a6s s LEU 71 CO -0.07 0.34 -0.13 -1.61 0.23 0.00 0.00 176.35 175.12 3a6s s GLU 72 N -0.69 2.52 -0.07 1.70 0.41 -1.26 -0.60 118.70 120.72 3a6s s GLU 72 Ca 0.10 -0.69 0.01 0.00 -0.41 0.00 0.00 54.97 53.99 3a6s s GLU 72 Cb -0.11 -2.41 0.02 0.00 -1.78 0.00 0.00 34.13 29.85 3a6s s GLU 72 CO 0.01 0.63 -0.06 0.71 -0.49 0.00 0.00 175.26 176.06 3a6s s TYR 73 N -0.77 1.05 -0.32 1.61 2.02 0.55 -5.00 117.35 116.50 3a6s s TYR 73 Ca 0.12 -0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 56.39 3a6s s TYR 73 Cb -0.11 -0.90 0.04 0.00 -0.40 0.00 0.00 41.96 40.59 3a6s s TYR 73 CO 0.01 -0.30 0.05 -1.21 -1.57 0.00 0.00 175.55 172.53 3a6s s GLU 74 N 1.21 2.56 0.33 -0.62 8.01 -1.26 -1.01 118.70 127.91 3a6s s GLU 74 Ca -0.06 -1.20 0.10 0.00 0.01 0.00 0.00 54.97 53.82 3a6s s GLU 74 Cb -0.14 -3.31 -0.06 0.00 -4.31 0.00 0.00 34.13 26.31 3a6s s GLU 74 CO -0.02 -0.63 -0.12 -0.06 0.01 0.00 0.00 175.26 174.45 3a6s s PHE 75 N 1.34 2.36 0.12 1.61 0.08 -0.29 -5.05 117.98 118.14 3a6s s PHE 75 Ca -0.03 -0.46 -0.31 0.00 0.12 0.00 0.00 56.93 56.24 3a6s s PHE 75 Cb -0.19 -1.27 -0.10 0.00 -0.57 0.00 0.00 43.02 40.88 3a6s s PHE 75 CO 0.01 0.61 1.81 -1.25 -0.10 0.00 0.00 175.22 176.30 3a6s s PRO 76 N -3.59 4.14 -0.20 0.24 0.04 -1.26 -1.73 135.00 132.64 3a6s s PRO 76 Ca 0.32 2.58 0.00 0.00 0.04 0.00 0.00 61.00 63.93 3a6s s PRO 76 Cb 0.01 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.96 3a6s s PRO 76 CO 0.16 -0.83 0.00 -3.47 0.04 0.00 0.00 177.00 172.90 3a6s n ASP 77 N 5.65 -5.02 -3.73 6.66 4.64 -1.26 -4.96 116.55 118.53 3a6s n ASP 77 Ca 0.18 0.05 -0.12 0.00 -1.38 0.00 0.00 54.79 53.51 3a6s n ASP 77 Cb 0.38 -2.68 -0.11 0.00 -1.04 0.00 0.00 41.12 37.67 3a6s n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3a6s s ARG 78 N -1.61 0.41 -0.11 -0.67 1.81 -0.71 -2.23 118.95 115.85 3a6s s ARG 78 Ca 0.00 0.60 0.03 0.00 -1.72 0.00 0.00 55.73 54.64 3a6s s ARG 78 Cb 0.00 0.13 0.01 0.00 -0.45 0.00 0.00 34.95 34.64 3a6s s ARG 78 CO 0.00 -0.09 -0.20 -1.58 -0.68 0.00 0.00 175.30 172.75 3a6s s HIS 79 N 0.60 2.33 -0.08 -0.53 5.65 -0.55 -1.14 115.29 121.58 3a6s s HIS 79 Ca -0.03 -1.06 0.02 0.00 0.25 0.00 0.00 55.06 54.24 3a6s s HIS 79 Cb -0.05 -1.61 -0.02 0.00 -1.18 0.00 0.00 32.58 29.73 3a6s s HIS 79 CO -0.04 -0.48 -0.14 0.42 -0.65 0.00 0.00 174.74 173.85 3a6s s ILE 80 N 0.69 3.07 -0.07 0.89 1.09 -0.18 -0.80 121.20 125.88 3a6s s ILE 80 Ca -0.12 -0.70 0.03 0.00 -1.10 0.00 0.00 60.65 58.76 3a6s s ILE 80 Cb -0.16 -2.23 0.01 0.00 -1.06 0.00 0.00 42.46 39.02 3a6s s ILE 80 CO 0.02 0.57 -0.15 -0.89 -0.10 0.00 0.00 174.94 174.39 3a6s s THR 81 N -0.34 1.32 -0.21 2.92 2.01 -0.91 -0.33 115.64 120.10 3a6s s THR 81 Ca 0.03 -0.59 -0.06 0.00 0.31 0.00 0.00 61.69 61.39 3a6s s THR 81 Cb -0.13 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 3a6s s THR 81 CO 0.02 0.40 0.02 -0.76 -0.69 0.00 0.00 174.62 173.61 3a6s s LEU 82 N 0.57 3.32 -0.33 4.42 1.43 0.24 -1.24 118.68 127.09 3a6s s LEU 82 Ca -0.15 -0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 52.67 3a6s s LEU 82 Cb -0.16 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.22 3a6s s LEU 82 CO 0.05 0.04 0.12 0.26 0.23 0.00 0.00 176.35 177.05 3a6s s TRP 83 N 1.17 3.20 -0.29 0.29 0.52 0.37 -1.55 118.94 122.65 3a6s s TRP 83 Ca 0.03 -1.05 -0.11 0.00 0.02 0.00 0.00 56.10 54.99 3a6s s TRP 83 Cb -0.14 -2.31 -0.04 0.00 -1.15 0.00 0.00 33.47 29.82 3a6s s TRP 83 CO 0.02 -0.62 0.19 -0.06 0.02 0.00 0.00 176.95 176.50 3a6s s PHE 84 N 1.50 3.21 -0.10 -1.98 0.08 0.08 0.28 117.98 121.04 3a6s s PHE 84 Ca 0.01 -0.04 -0.01 0.00 0.12 0.00 0.00 56.93 57.02 3a6s s PHE 84 Cb -0.18 -2.39 -0.03 0.00 -0.57 0.00 0.00 43.02 39.85 3a6s s PHE 84 CO 0.04 -0.24 -0.06 -1.58 -0.10 0.00 0.00 175.22 173.28 3a6s s TRP 85 N 1.73 2.96 -0.33 0.36 0.52 -0.05 0.09 118.94 124.22 3a6s s TRP 85 Ca 0.07 -0.13 -0.19 0.00 0.02 0.00 0.00 56.10 55.87 3a6s s TRP 85 Cb -0.16 -1.80 -0.01 0.00 -1.15 0.00 0.00 33.47 30.35 3a6s s TRP 85 CO 0.10 0.18 0.56 -1.17 0.02 0.00 0.00 176.95 176.63 3a6s s LEU 86 N -0.35 4.25 -0.32 2.99 2.96 0.06 -0.45 118.68 127.82 3a6s s LEU 86 Ca 0.05 0.16 -0.10 0.00 -0.22 0.00 0.00 54.13 54.02 3a6s s LEU 86 Cb -0.12 -2.67 0.00 0.00 0.50 0.00 0.00 46.19 43.90 3a6s s LEU 86 CO 0.02 -0.48 0.16 -0.69 -1.32 0.00 0.00 176.35 174.04 3a6s s VAL 87 N 2.48 4.52 -0.35 1.68 1.01 0.08 -1.74 120.40 128.07 3a6s s VAL 87 Ca 0.21 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 61.73 3a6s s VAL 87 Cb -0.15 -3.36 -0.13 0.00 0.00 0.00 0.00 36.38 32.74 3a6s s VAL 87 CO 0.13 -0.01 0.38 -0.62 0.00 0.00 0.00 175.10 174.98 3a6s n GLU 88 N 4.97 2.68 -3.77 2.72 1.02 -0.69 -1.71 120.64 125.86 3a6s n GLU 88 Ca -0.13 -0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 56.85 3a6s n GLU 88 Cb 0.48 -1.06 -0.13 0.00 -0.02 0.00 0.00 31.44 30.72 3a6s n GLU 88 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3a6s s ARG 89 N -2.18 0.22 0.29 3.49 6.06 -1.15 -4.93 118.95 120.74 3a6s s ARG 89 Ca 0.02 0.38 -0.15 0.00 -2.50 0.00 0.00 55.73 53.48 3a6s s ARG 89 Cb 0.07 0.01 0.01 0.00 0.06 0.00 0.00 34.95 35.11 3a6s s ARG 89 CO 0.43 -0.09 0.61 1.67 -2.50 0.00 0.00 175.30 175.42 3a6s s TRP 90 N 0.60 0.21 -0.11 5.12 -2.14 -1.26 -0.50 118.94 120.86 3a6s s TRP 90 Ca -0.04 -0.64 -0.01 0.00 2.66 0.00 0.00 56.10 58.07 3a6s s TRP 90 Cb -0.05 0.44 -0.03 0.00 -3.10 0.00 0.00 33.47 30.73 3a6s s TRP 90 CO -0.03 -1.18 -0.07 -2.00 -2.66 0.00 0.00 176.95 171.01 3a6s s GLU 91 N -3.62 3.16 0.00 3.25 2.12 -0.59 -4.89 118.70 118.12 3a6s s GLU 91 Ca 0.18 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.95 3a6s s GLU 91 Cb -0.03 -2.71 0.00 0.00 0.26 0.00 0.00 34.13 31.65 3a6s s GLU 91 CO 0.10 0.45 0.00 0.41 -0.54 0.00 0.00 175.26 175.68 3a6s n GLY 92 N 2.87 -2.92 2.87 -1.50 0.00 -1.26 -0.87 105.19 104.37 3a6s n GLY 92 Ca -0.18 -2.14 -0.23 0.00 0.00 0.00 0.00 46.02 43.47 3a6s n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a6s s GLU 93 N -0.71 1.03 0.27 1.61 2.56 -1.26 -4.95 118.70 117.25 3a6s s GLU 93 Ca 0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 54.97 54.56 3a6s s GLU 93 Cb 0.00 -1.14 -0.12 0.00 2.00 0.00 0.00 34.13 34.87 3a6s s GLU 93 CO 0.00 -0.19 1.58 -2.30 -0.56 0.00 0.00 175.26 173.79 3a6s n PRO 94 N 4.62 2.58 -3.86 4.30 -0.02 -1.26 -4.69 135.00 136.68 3a6s n PRO 94 Ca -0.15 0.92 -0.08 0.00 -2.02 0.00 0.00 63.50 62.17 3a6s n PRO 94 Cb 0.50 -2.69 -0.01 0.00 -0.02 0.00 0.00 33.50 31.28 3a6s n PRO 94 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3a6s s TRP 95 N 0.16 -0.03 -1.39 6.00 1.48 -0.54 -5.01 118.94 119.60 3a6s s TRP 95 Ca 0.67 -0.48 -0.13 0.00 -1.06 0.00 0.00 56.10 55.10 3a6s s TRP 95 Cb -0.53 0.68 -0.03 0.00 -1.16 0.00 0.00 33.47 32.44 3a6s s TRP 95 CO 0.46 -1.31 2.41 0.41 -4.06 0.00 0.00 176.95 174.86 3a6s n GLY 96 N -0.48 4.06 0.36 3.67 0.00 -1.26 -4.22 105.19 107.33 3a6s n GLY 96 Ca -0.05 -1.47 0.19 0.00 0.00 0.00 0.00 46.02 44.69 3a6s n GLY 96 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3a6s h LYS 97 N 5.94 0.00 -0.28 1.61 3.64 -1.81 -1.95 116.57 123.72 3a6s h LYS 97 Ca 0.64 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.91 3a6s h LYS 97 Cb 0.50 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.25 3a6s h LYS 97 CO 1.83 0.00 -0.08 0.39 -2.27 0.00 0.00 179.45 179.33 3a6s n GLU 98 N -4.02 2.04 0.00 1.90 -0.58 -1.25 -4.94 120.64 113.79 3a6s n GLU 98 Ca 0.06 -3.06 0.00 0.00 -0.42 0.00 0.00 57.16 53.73 3a6s n GLU 98 Cb 0.48 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 3a6s n GLU 98 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a6s n GLY 99 N -1.00 3.16 3.35 0.62 0.00 -0.73 -5.01 105.19 105.57 3a6s n GLY 99 Ca 0.28 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.84 3a6s n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3a6s s GLN 100 N -0.91 3.74 0.27 1.61 1.03 -1.26 -5.01 119.66 119.13 3a6s s GLN 100 Ca 0.00 -2.54 -0.30 0.00 0.04 0.00 0.00 55.36 52.56 3a6s s GLN 100 Cb 0.00 -4.53 -0.10 0.00 0.03 0.00 0.00 33.01 28.40 3a6s s GLN 100 CO 0.00 -1.35 1.42 -2.14 -2.54 0.00 0.00 175.29 170.68 3a6s s PRO 101 N 0.22 4.27 0.00 9.60 0.02 -1.26 -4.21 135.00 143.63 3a6s s PRO 101 Ca 0.23 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.55 3a6s s PRO 101 Cb -0.09 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.33 3a6s s PRO 101 CO -0.09 -0.39 0.00 0.41 -0.33 0.00 0.00 177.00 176.61 3a6s n GLY 102 N 1.87 2.78 3.49 0.52 0.00 -1.26 -4.20 105.19 108.40 3a6s n GLY 102 Ca 0.05 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 43.85 3a6s n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3a6s s GLU 103 N 0.38 1.03 -0.12 1.61 -1.05 -0.47 -4.95 118.70 115.13 3a6s s GLU 103 Ca 0.00 -0.10 -0.21 0.00 -0.15 0.00 0.00 54.97 54.51 3a6s s GLU 103 Cb 0.00 0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 34.14 3a6s s GLU 103 CO 0.00 -0.39 0.63 -1.58 0.95 0.00 0.00 175.26 174.87 3a6s s TRP 104 N -2.37 3.49 -0.01 4.83 0.52 -1.26 -1.64 118.94 122.51 3a6s s TRP 104 Ca -0.03 1.06 0.06 0.00 0.02 0.00 0.00 56.10 57.21 3a6s s TRP 104 Cb -0.01 -2.75 -0.02 0.00 -1.15 0.00 0.00 33.47 29.55 3a6s s TRP 104 CO -0.02 0.01 -0.20 -1.64 0.02 0.00 0.00 176.95 175.12 3a6s s MET 105 N 1.15 1.61 0.39 4.98 -1.94 -0.22 -4.89 119.30 120.38 3a6s s MET 105 Ca 0.32 -0.72 -0.26 0.00 -1.71 0.00 0.00 55.69 53.32 3a6s s MET 105 Cb -0.16 -1.56 -0.09 0.00 2.01 0.00 0.00 34.83 35.03 3a6s s MET 105 CO 0.14 0.43 1.21 0.45 -0.01 0.00 0.00 175.02 177.23 3a6s s SER 106 N -0.49 6.51 0.46 3.03 0.15 -1.26 -1.14 113.70 120.96 3a6s s SER 106 Ca 0.08 2.44 0.26 0.00 0.70 0.00 0.00 55.95 59.43 3a6s s SER 106 Cb -0.08 -2.62 0.91 0.00 -1.71 0.00 0.00 66.02 62.52 3a6s s SER 106 CO -0.01 -0.69 1.82 -0.07 1.20 0.00 0.00 173.24 175.49 3a6s h LEU 107 N 2.73 0.00 -8.93 3.45 3.38 -1.91 -3.35 115.31 110.67 3a6s h LEU 107 Ca -0.49 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.91 3a6s h LEU 107 Cb 1.24 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.93 3a6s h LEU 107 CO 0.63 0.14 0.96 -0.69 0.09 0.00 0.00 178.44 179.57 3a6s s VAL 108 N -3.54 4.17 0.00 1.22 1.01 -1.26 -2.80 120.40 119.19 3a6s s VAL 108 Ca 0.02 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.31 3a6s s VAL 108 Cb 0.09 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.25 3a6s s VAL 108 CO 0.62 -0.53 0.00 0.61 0.00 0.00 0.00 175.10 175.80 3a6s n GLY 109 N 4.35 1.01 3.68 4.51 0.00 -1.26 -5.01 105.19 112.47 3a6s n GLY 109 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3a6s n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a6s s LEU 110 N 0.00 4.38 -0.25 0.99 2.96 -1.12 -4.95 118.68 120.69 3a6s s LEU 110 Ca 0.00 2.54 -0.14 0.00 -0.22 0.00 0.00 54.13 56.31 3a6s s LEU 110 Cb 0.00 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 3a6s s LEU 110 CO 0.00 -0.97 0.34 0.21 -1.32 0.00 0.00 176.35 174.61 3a6s s ASN 111 N 3.25 6.26 0.53 3.68 2.47 -1.26 -4.95 114.94 124.92 3a6s s ASN 111 Ca 0.79 0.30 0.21 0.00 0.42 0.00 0.00 52.86 54.58 3a6s s ASN 111 Cb -0.40 -2.20 1.39 0.00 -1.45 0.00 0.00 41.25 38.59 3a6s s ASN 111 CO 0.35 -0.12 2.14 0.00 -3.72 0.00 0.00 177.10 175.76 3a6s h ALA 112 N 7.91 1.74 0.00 1.71 0.00 -1.94 0.85 119.26 129.54 3a6s h ALA 112 Ca -0.34 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3a6s h ALA 112 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3a6s h ALA 112 CO 0.66 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 179.71 3a6s n ASP 113 N -4.22 0.00 -0.16 0.00 8.00 -1.26 -1.35 116.55 117.56 3a6s n ASP 113 Ca -0.03 0.08 0.12 0.00 0.71 0.00 0.00 54.79 55.68 3a6s n ASP 113 Cb 0.13 -0.29 0.29 0.00 -0.02 0.00 0.00 41.12 41.24 3a6s n ASP 113 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3a6s n ASP 114 N -1.29 0.88 -4.57 -2.24 10.43 0.29 -4.88 116.55 115.17 3a6s n ASP 114 Ca 0.07 -0.69 -0.23 0.00 2.57 0.00 0.00 54.79 56.51 3a6s n ASP 114 Cb 0.11 0.23 -0.08 0.00 1.84 0.00 0.00 41.12 43.22 3a6s n ASP 114 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 3a6s s PHE 115 N -2.70 2.53 0.65 1.24 0.40 -0.45 -0.23 117.98 119.42 3a6s s PHE 115 Ca 0.18 -0.27 -0.18 0.00 -0.60 0.00 0.00 56.93 56.07 3a6s s PHE 115 Cb 0.18 -1.11 -0.01 0.00 0.51 0.00 0.00 43.02 42.59 3a6s s PHE 115 CO 0.60 0.66 1.26 -2.14 0.70 0.00 0.00 175.22 176.31 3a6s s PRO 116 N -3.60 2.55 0.46 0.24 0.02 -1.26 -4.86 135.00 128.56 3a6s s PRO 116 Ca 0.31 1.97 0.29 0.00 0.02 0.00 0.00 61.00 63.58 3a6s s PRO 116 Cb -0.06 -1.86 1.35 0.00 0.02 0.00 0.00 34.50 33.96 3a6s s PRO 116 CO 0.18 -1.57 1.74 -1.00 -0.33 0.00 0.00 177.00 176.01 3a6s h PRO 117 N 0.46 0.18 -0.61 5.54 0.13 -1.96 -2.05 132.00 133.69 3a6s h PRO 117 Ca -0.50 -0.01 0.13 0.00 -0.87 0.00 0.00 66.00 64.74 3a6s h PRO 117 Cb 1.32 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 3a6s h PRO 117 CO 0.53 0.12 0.42 0.00 -0.23 0.00 0.00 178.00 178.83 3a6s h ALA 118 N 1.51 2.18 0.00 -0.56 0.00 -1.98 -2.20 119.26 118.22 3a6s h ALA 118 Ca 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.56 3a6s h ALA 118 Cb 2.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.86 3a6s h ALA 118 CO -0.22 -0.34 0.00 0.09 0.00 0.00 0.00 179.25 178.78 3a6s n ASN 119 N -4.45 0.00 -0.20 0.00 3.02 -0.77 -4.41 115.26 108.45 3a6s n ASN 119 Ca 0.11 0.39 -0.11 0.00 -0.03 0.00 0.00 54.58 54.93 3a6s n ASN 119 Cb 0.48 -0.46 -0.08 0.00 -0.61 0.00 0.00 39.78 39.12 3a6s n ASN 119 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3a6s h GLU 120 N 0.00 -0.28 -0.31 3.52 4.81 -1.58 -0.49 114.58 120.26 3a6s h GLU 120 Ca 0.00 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3a6s h GLU 120 Cb 0.38 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3a6s h GLU 120 CO 0.00 -0.18 0.21 -1.00 -0.73 0.00 0.00 179.01 177.30 3a6s h PRO 121 N -0.29 0.35 -0.13 0.92 0.13 -1.84 -1.62 132.00 129.51 3a6s h PRO 121 Ca 0.12 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.19 3a6s h PRO 121 Cb 0.56 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 3a6s h PRO 121 CO -0.67 0.23 -0.07 0.28 -0.23 0.00 0.00 178.00 177.54 3a6s h VAL 122 N 0.36 1.32 -0.83 1.56 2.07 -1.50 -2.05 116.25 117.17 3a6s h VAL 122 Ca 0.12 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 3a6s h VAL 122 Cb 0.05 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 3a6s h VAL 122 CO -0.03 0.32 0.51 0.40 0.02 0.00 0.00 177.57 178.80 3a6s h ILE 123 N -0.06 1.23 -0.31 4.57 1.08 -0.73 -1.85 117.51 121.43 3a6s h ILE 123 Ca 0.03 -0.49 -0.01 0.00 -0.39 0.00 0.00 64.86 64.00 3a6s h ILE 123 Cb 0.54 0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 3a6s h ILE 123 CO 0.02 0.24 0.16 0.00 -0.69 0.00 0.00 178.15 177.87 3a6s h ALA 124 N 1.42 0.40 -0.82 1.87 0.00 -1.21 -2.85 119.26 118.06 3a6s h ALA 124 Ca 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3a6s h ALA 124 Cb -0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3a6s h ALA 124 CO -0.06 -0.04 0.49 0.87 0.00 0.00 0.00 179.25 180.51 3a6s h LYS 125 N 0.37 1.12 -0.67 0.00 1.57 -0.95 -2.70 116.57 115.31 3a6s h LYS 125 Ca 0.11 -0.11 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3a6s h LYS 125 Cb 0.10 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 3a6s h LYS 125 CO -0.01 0.80 0.44 -0.07 -0.57 0.00 0.00 179.45 180.03 3a6s h LEU 126 N 1.13 0.61 0.00 2.94 3.38 -1.13 -0.32 115.31 121.91 3a6s h LEU 126 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3a6s h LEU 126 Cb -0.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3a6s h LEU 126 CO -0.05 0.39 0.00 0.29 0.09 0.00 0.00 178.44 179.16 3a6s n LYS 127 N -4.48 0.70 -3.73 1.13 5.02 -1.02 -4.58 118.16 111.20 3a6s n LYS 127 Ca 0.10 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.01 3a6s n LYS 127 Cb 0.23 -1.30 -0.12 0.00 -0.02 0.00 0.00 35.03 33.82 3a6s n LYS 127 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3a6s s ARG 128 N -2.00 2.60 0.00 1.97 0.52 -0.13 -5.12 118.95 116.79 3a6s s ARG 128 Ca 0.20 -1.25 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 3a6s s ARG 128 Cb 0.09 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 32.04 3a6s s ARG 128 CO 0.15 -0.73 0.10 1.28 0.02 0.00 0.00 175.30 176.13