#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8h s PHE 6 N 0.00 3.22 0.22 2.11 5.99 -1.26 -4.94 117.98 123.31 3i8h s PHE 6 Ca 0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 56.93 56.62 3i8h s PHE 6 Cb 0.00 -2.55 -0.16 0.00 0.00 0.00 0.00 43.02 40.31 3i8h s PHE 6 CO 0.00 -0.34 0.96 -1.91 -0.00 0.00 0.00 175.22 173.93 3i8h n GLU 7 N 5.24 0.93 -3.69 10.12 4.07 0.95 -4.77 120.64 133.49 3i8h n GLU 7 Ca -0.11 0.33 -0.30 0.00 -0.06 0.00 0.00 57.16 57.02 3i8h n GLU 7 Cb 0.50 -1.67 -0.14 0.00 -0.06 0.00 0.00 31.44 30.07 3i8h n GLU 7 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 3i8h s GLU 8 N -0.95 0.86 -0.54 5.31 2.12 -1.26 -1.41 118.70 122.83 3i8h s GLU 8 Ca 0.66 -1.38 0.02 0.00 0.36 0.00 0.00 54.97 54.64 3i8h s GLU 8 Cb -0.83 -2.01 0.14 0.00 0.26 0.00 0.00 34.13 31.69 3i8h s GLU 8 CO 0.56 -1.07 0.30 0.21 -0.54 0.00 0.00 175.26 174.72 3i8h s LYS 9 N 1.18 2.11 0.41 4.30 2.20 -1.07 -5.01 119.74 123.85 3i8h s LYS 9 Ca 0.13 -2.57 -0.23 0.00 -0.36 0.00 0.00 55.97 52.94 3i8h s LYS 9 Cb -0.20 -3.42 -0.09 0.00 -1.51 0.00 0.00 37.83 32.61 3i8h s LYS 9 CO -0.15 -1.12 1.02 0.00 -0.36 0.00 0.00 175.35 174.74 3i8h s MET 10 N -0.19 4.15 -0.27 4.03 0.23 -1.26 -2.40 119.30 123.59 3i8h s MET 10 Ca 0.17 1.39 0.19 0.00 -1.03 0.00 0.00 55.69 56.40 3i8h s MET 10 Cb -0.24 -2.41 0.50 0.00 -1.53 0.00 0.00 34.83 31.14 3i8h s MET 10 CO -0.01 -0.13 1.13 0.44 -2.03 0.00 0.00 175.02 174.42 3i8h n ILE 11 N -0.28 1.59 0.00 3.16 -5.35 0.00 -4.88 119.36 113.60 3i8h n ILE 11 Ca 0.06 -3.25 0.00 0.00 -0.27 0.00 0.00 62.75 59.29 3i8h n ILE 11 Cb 0.51 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 3i8h n ILE 11 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 3i8h n LEU 12 N -0.62 0.00 -3.69 7.28 0.00 -1.14 -4.84 117.00 114.00 3i8h n LEU 12 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 56.01 55.97 3i8h n LEU 12 Cb 0.85 0.00 -0.18 0.00 0.00 0.00 0.00 43.42 44.09 3i8h n LEU 12 CO 0.16 0.00 -0.35 -0.63 0.00 0.00 0.00 177.39 176.57 3i8h s ILE 13 N 0.00 -0.02 -0.01 1.96 1.09 -1.25 0.25 121.20 123.22 3i8h s ILE 13 Ca 0.00 0.36 0.02 0.00 -1.10 0.00 0.00 60.65 59.92 3i8h s ILE 13 Cb 0.00 -0.23 -0.00 0.00 -1.06 0.00 0.00 42.46 41.17 3i8h s ILE 13 CO 0.00 0.18 -0.05 0.00 -0.10 0.00 0.00 174.94 174.97 3i8h s ARG 14 N 2.13 0.44 -0.33 2.79 1.70 0.50 -4.98 118.95 121.21 3i8h s ARG 14 Ca 0.05 -0.18 -0.12 0.00 -0.47 0.00 0.00 55.73 55.01 3i8h s ARG 14 Cb -0.12 -0.43 -0.02 0.00 -0.57 0.00 0.00 34.95 33.81 3i8h s ARG 14 CO -0.04 0.10 0.22 0.50 -1.08 0.00 0.00 175.30 175.00 3i8h s ARG 15 N -0.05 3.52 0.67 3.89 3.52 -1.26 0.09 118.95 129.33 3i8h s ARG 15 Ca 0.01 -0.62 -0.04 0.00 -0.13 0.00 0.00 55.73 54.95 3i8h s ARG 15 Cb -0.03 -3.74 0.07 0.00 -1.56 0.00 0.00 34.95 29.69 3i8h s ARG 15 CO -0.00 -0.41 0.96 0.95 -0.81 0.00 0.00 175.30 175.99 3i8h s THR 16 N 1.70 2.36 -0.09 4.11 -4.23 -0.07 -4.95 115.64 114.48 3i8h s THR 16 Ca 0.06 -0.41 -0.04 0.00 -1.18 0.00 0.00 61.69 60.13 3i8h s THR 16 Cb -0.17 -2.95 0.05 0.00 1.34 0.00 0.00 72.50 70.77 3i8h s THR 16 CO 0.10 0.00 0.18 0.00 -0.54 0.00 0.00 174.62 174.36 3i8h s ALA 17 N -3.13 -0.30 0.22 3.99 0.00 -1.26 -2.79 121.76 118.50 3i8h s ALA 17 Ca 0.61 0.70 0.05 0.00 0.00 0.00 0.00 51.96 53.31 3i8h s ALA 17 Cb -0.10 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 3i8h s ALA 17 CO 0.43 -0.44 0.34 0.50 0.00 0.00 0.00 175.76 176.59 3i8h s ARG 18 N 1.95 3.42 -0.13 0.00 3.52 -0.36 -4.91 118.95 122.43 3i8h s ARG 18 Ca -0.01 -0.74 -0.00 0.00 -0.13 0.00 0.00 55.73 54.84 3i8h s ARG 18 Cb -0.12 -2.89 -0.02 0.00 -1.56 0.00 0.00 34.95 30.36 3i8h s ARG 18 CO -0.07 0.45 -0.12 -1.64 -0.81 0.00 0.00 175.30 173.11 3i8h s MET 19 N -3.84 3.40 -0.18 5.12 -1.94 -1.26 0.41 119.30 121.01 3i8h s MET 19 Ca 0.34 -0.67 -0.06 0.00 -1.71 0.00 0.00 55.69 53.59 3i8h s MET 19 Cb -0.09 -2.66 0.09 0.00 2.01 0.00 0.00 34.83 34.17 3i8h s MET 19 CO 0.29 0.20 0.36 -1.14 -0.01 0.00 0.00 175.02 174.71 3i8h s GLN 20 N 0.39 0.26 0.00 2.03 -0.44 -0.27 -4.93 119.66 116.70 3i8h s GLN 20 Ca -0.10 0.86 0.00 0.00 -2.50 0.00 0.00 55.36 53.62 3i8h s GLN 20 Cb -0.16 0.07 0.00 0.00 -1.64 0.00 0.00 33.01 31.28 3i8h s GLN 20 CO 0.05 -0.32 0.00 0.00 0.50 0.00 0.00 175.29 175.52 3i8h n ALA 21 N 5.37 -0.37 -3.57 1.58 0.00 -1.26 -2.81 120.51 119.46 3i8h n ALA 21 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 3i8h n ALA 21 Cb 0.50 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.99 3i8h n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8h n GLY 22 N 0.32 -0.87 0.00 0.00 0.00 -1.26 -4.93 105.19 98.44 3i8h n GLY 22 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 3i8h n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8h n GLY 23 N -1.53 4.88 3.71 -0.02 0.00 -1.12 -5.10 105.19 106.00 3i8h n GLY 23 Ca -0.14 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 3i8h n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i8h s ARG 24 N -4.57 3.68 -0.20 1.61 1.70 -1.26 -1.12 118.95 118.79 3i8h s ARG 24 Ca 0.00 -0.30 -0.00 0.00 -0.47 0.00 0.00 55.73 54.96 3i8h s ARG 24 Cb 0.00 -3.14 0.02 0.00 -0.57 0.00 0.00 34.95 31.25 3i8h s ARG 24 CO 0.00 0.48 -0.15 1.03 -1.08 0.00 0.00 175.30 175.57 3i8h s ARG 25 N -0.20 3.02 0.82 3.89 0.52 0.17 -4.92 118.95 122.25 3i8h s ARG 25 Ca 0.08 -0.83 -0.12 0.00 -0.52 0.00 0.00 55.73 54.35 3i8h s ARG 25 Cb -0.12 -2.71 0.09 0.00 0.52 0.00 0.00 34.95 32.73 3i8h s ARG 25 CO 0.01 -0.24 1.18 -0.06 0.02 0.00 0.00 175.30 176.21 3i8h s PHE 26 N 1.32 2.90 -0.02 -0.53 0.40 -1.26 -1.23 117.98 119.56 3i8h s PHE 26 Ca 0.04 0.75 -0.29 0.00 -0.60 0.00 0.00 56.93 56.84 3i8h s PHE 26 Cb -0.14 -3.50 0.09 0.00 0.51 0.00 0.00 43.02 39.98 3i8h s PHE 26 CO -0.10 -1.84 0.76 0.50 0.70 0.00 0.00 175.22 175.24 3i8h s ARG 27 N -5.56 0.97 0.14 0.44 3.52 -1.12 -4.90 118.95 112.45 3i8h s ARG 27 Ca 0.62 0.00 0.09 0.00 -0.13 0.00 0.00 55.73 56.32 3i8h s ARG 27 Cb -0.11 0.46 -0.04 0.00 -1.56 0.00 0.00 34.95 33.69 3i8h s ARG 27 CO 0.49 -0.35 -0.15 -0.06 -0.81 0.00 0.00 175.30 174.42 3i8h s PHE 28 N -1.98 2.57 -0.13 5.12 0.40 -0.49 -0.89 117.98 122.58 3i8h s PHE 28 Ca -0.04 -0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.06 3i8h s PHE 28 Cb -0.00 -1.32 0.01 0.00 0.51 0.00 0.00 43.02 42.21 3i8h s PHE 28 CO 0.01 0.43 -0.20 0.20 0.70 0.00 0.00 175.22 176.36 3i8h s GLY 29 N -2.38 1.28 -0.08 4.36 0.00 0.11 -2.01 107.32 108.60 3i8h s GLY 29 Ca 0.20 -1.01 0.05 0.00 0.00 0.00 0.00 44.72 43.97 3i8h s GLY 29 CO 0.12 0.07 -0.24 0.00 0.00 0.00 0.00 173.10 173.05 3i8h s ALA 30 N 0.90 2.15 -0.31 3.20 0.00 0.32 -0.37 121.76 127.66 3i8h s ALA 30 Ca -0.06 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3i8h s ALA 30 Cb -0.15 -0.75 0.07 0.00 0.00 0.00 0.00 23.12 22.29 3i8h s ALA 30 CO -0.03 0.34 0.00 -1.17 0.00 0.00 0.00 175.76 174.90 3i8h s LEU 31 N 0.13 4.06 0.16 0.00 1.98 0.14 0.96 118.68 126.10 3i8h s LEU 31 Ca -0.12 -1.52 0.09 0.00 -2.89 0.00 0.00 54.13 49.69 3i8h s LEU 31 Cb -0.16 -1.67 -0.04 0.00 0.66 0.00 0.00 46.19 44.98 3i8h s LEU 31 CO 0.07 -0.29 -0.14 -0.69 -1.89 0.00 0.00 176.35 173.40 3i8h s VAL 32 N 1.15 2.97 0.25 1.68 1.01 0.16 -0.82 120.40 126.80 3i8h s VAL 32 Ca -0.02 -1.63 0.08 0.00 0.00 0.00 0.00 61.98 60.40 3i8h s VAL 32 Cb -0.20 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3i8h s VAL 32 CO -0.03 -0.03 0.08 -0.69 0.00 0.00 0.00 175.10 174.43 3i8h s VAL 33 N -1.48 3.92 -0.23 2.92 1.01 -1.01 -0.80 120.40 124.74 3i8h s VAL 33 Ca 0.22 -1.62 -0.07 0.00 0.00 0.00 0.00 61.98 60.51 3i8h s VAL 33 Cb -0.09 -3.09 0.11 0.00 0.00 0.00 0.00 36.38 33.30 3i8h s VAL 33 CO 0.13 -0.32 0.47 -0.69 0.00 0.00 0.00 175.10 174.69 3i8h s VAL 34 N -2.15 -0.74 0.00 2.92 1.01 -0.50 -2.61 120.40 118.33 3i8h s VAL 34 Ca 0.31 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.40 3i8h s VAL 34 Cb -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.54 3i8h s VAL 34 CO 0.22 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.97 3i8h n GLY 35 N 5.40 4.84 0.00 4.51 0.00 -0.50 -0.56 105.19 118.88 3i8h n GLY 35 Ca -0.09 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3i8h n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i8h n ASP 36 N 0.00 0.00 0.00 1.61 5.68 -0.77 -0.04 116.55 123.03 3i8h n ASP 36 Ca 0.00 -0.95 0.00 0.00 -0.50 0.00 0.00 54.79 53.34 3i8h n ASP 36 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3i8h n ASP 36 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3i8h n ARG 37 N 0.00 -0.91 0.00 0.11 5.12 0.88 -4.78 116.66 117.07 3i8h n ARG 37 Ca 0.00 0.23 0.03 0.00 -1.93 0.00 0.00 57.85 56.18 3i8h n ARG 37 Cb 0.24 -4.07 0.02 0.00 -1.16 0.00 0.00 32.46 27.48 3i8h n ARG 37 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3i8h n GLN 38 N -0.95 0.56 0.00 5.56 1.13 -1.26 -3.79 117.38 118.64 3i8h n GLN 38 Ca 0.00 -0.73 0.00 0.00 -1.94 0.00 0.00 57.00 54.33 3i8h n GLN 38 Cb 0.23 -1.06 0.00 0.00 0.11 0.00 0.00 30.24 29.52 3i8h n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i8h n GLY 39 N 0.43 1.20 3.01 1.08 0.00 -1.18 -4.91 105.19 104.82 3i8h n GLY 39 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 3i8h n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8h s ARG 40 N -0.04 0.22 0.04 1.61 0.52 -1.26 -2.78 118.95 117.26 3i8h s ARG 40 Ca 0.00 0.69 0.04 0.00 -0.52 0.00 0.00 55.73 55.94 3i8h s ARG 40 Cb 0.00 -0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.24 3i8h s ARG 40 CO 0.00 -0.39 -0.11 0.14 0.02 0.00 0.00 175.30 174.96 3i8h s VAL 41 N 2.47 0.85 -0.01 3.52 -7.23 -1.26 -3.07 120.40 115.66 3i8h s VAL 41 Ca 0.03 -0.98 0.02 0.00 -1.81 0.00 0.00 61.98 59.25 3i8h s VAL 41 Cb -0.13 -0.81 -0.00 0.00 0.56 0.00 0.00 36.38 35.99 3i8h s VAL 41 CO -0.11 -0.14 -0.07 -0.83 -0.31 0.00 0.00 175.10 173.65 3i8h s GLY 42 N -1.24 0.34 -0.15 2.32 0.00 0.27 -2.80 107.32 106.05 3i8h s GLY 42 Ca -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 44.72 44.40 3i8h s GLY 42 CO 0.01 -0.21 -0.09 -2.27 0.00 0.00 0.00 173.10 170.54 3i8h s LEU 43 N -0.10 2.88 -0.01 0.66 2.96 -0.89 -1.41 118.68 122.77 3i8h s LEU 43 Ca 0.02 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 3i8h s LEU 43 Cb -0.03 -1.68 0.02 0.00 0.50 0.00 0.00 46.19 45.00 3i8h s LEU 43 CO -0.00 0.13 0.02 -0.83 -1.32 0.00 0.00 176.35 174.35 3i8h s GLY 44 N 0.55 0.08 -0.32 7.98 0.00 0.02 -4.08 107.32 111.55 3i8h s GLY 44 Ca -0.06 0.22 -0.02 0.00 0.00 0.00 0.00 44.72 44.86 3i8h s GLY 44 CO 0.03 0.50 0.03 -0.12 0.00 0.00 0.00 173.10 173.55 3i8h s PHE 45 N 0.78 3.31 -0.08 1.90 5.36 -1.26 0.40 117.98 128.39 3i8h s PHE 45 Ca -0.07 -1.91 0.02 0.00 -0.96 0.00 0.00 56.93 54.01 3i8h s PHE 45 Cb -0.09 -2.26 -0.02 0.00 -0.34 0.00 0.00 43.02 40.30 3i8h s PHE 45 CO -0.02 -0.82 -0.11 0.20 -1.46 0.00 0.00 175.22 173.01 3i8h s GLY 46 N 1.32 1.59 -0.04 13.12 0.00 0.27 -4.86 107.32 118.73 3i8h s GLY 46 Ca -0.03 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.76 3i8h s GLY 46 CO -0.01 -0.58 -0.00 0.54 0.00 0.00 0.00 173.10 173.05 3i8h s LYS 47 N -0.46 0.41 0.27 2.90 3.01 -1.26 0.12 119.74 124.74 3i8h s LYS 47 Ca 0.06 0.06 -0.10 0.00 -1.01 0.00 0.00 55.97 54.98 3i8h s LYS 47 Cb -0.12 -0.60 -0.00 0.00 -1.01 0.00 0.00 37.83 36.10 3i8h s LYS 47 CO 0.02 -0.16 0.48 0.00 0.51 0.00 0.00 175.35 176.20 3i8h s ALA 48 N 1.17 0.02 0.60 5.17 0.00 -0.85 -4.93 121.76 122.95 3i8h s ALA 48 Ca -0.08 -1.06 0.28 0.00 0.00 0.00 0.00 51.96 51.11 3i8h s ALA 48 Cb -0.13 1.08 1.40 0.00 0.00 0.00 0.00 23.12 25.46 3i8h s ALA 48 CO -0.02 -0.84 1.80 -1.35 0.00 0.00 0.00 175.76 175.36 3i8h h PRO 49 N 2.23 0.00 -3.99 0.00 0.11 -1.90 -1.29 132.00 127.15 3i8h h PRO 49 Ca -0.27 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.70 3i8h h PRO 49 Cb 1.25 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.18 3i8h h PRO 49 CO 0.37 0.00 -0.61 -2.00 -0.21 0.00 0.00 178.00 175.55 3i8h s GLU 50 N -4.51 0.54 0.06 1.05 2.56 -1.26 -4.52 118.70 112.62 3i8h s GLU 50 Ca -0.04 -0.89 -0.15 0.00 0.00 0.00 0.00 54.97 53.90 3i8h s GLU 50 Cb 0.14 0.20 -0.05 0.00 2.00 0.00 0.00 34.13 36.42 3i8h s GLU 50 CO 0.49 -0.12 1.25 0.28 -0.56 0.00 0.00 175.26 176.60 3i8h h VAL 51 N 3.67 0.00 0.00 3.70 2.07 -1.94 -0.88 116.25 122.88 3i8h h VAL 51 Ca -0.33 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3i8h h VAL 51 Cb 1.18 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3i8h h VAL 51 CO 0.54 0.00 0.00 -2.65 0.02 0.00 0.00 177.57 175.48 3i8h n PRO 52 N -3.91 0.00 -0.29 1.57 -0.02 -1.26 -0.15 135.00 130.94 3i8h n PRO 52 Ca -0.02 0.71 0.12 0.00 -2.02 0.00 0.00 63.50 62.29 3i8h n PRO 52 Cb 0.16 -1.17 0.27 0.00 -0.02 0.00 0.00 33.50 32.75 3i8h n PRO 52 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3i8h h LEU 53 N 0.00 0.02 -0.28 2.45 4.07 -1.97 0.38 115.31 119.98 3i8h h LEU 53 Ca 0.00 0.19 0.06 0.00 0.08 0.00 0.00 57.88 58.21 3i8h h LEU 53 Cb 0.00 0.25 -0.06 0.00 1.08 0.00 0.00 40.66 41.93 3i8h h LEU 53 CO 0.00 -0.13 -0.11 0.00 -1.08 0.00 0.00 178.44 177.12 3i8h h ALA 54 N 1.75 0.13 0.00 1.53 0.00 0.68 0.23 119.26 123.58 3i8h h ALA 54 Ca 0.53 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.48 3i8h h ALA 54 Cb 1.05 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3i8h h ALA 54 CO -0.63 -0.51 -0.34 0.28 0.00 0.00 0.00 179.25 178.05 3i8h h VAL 55 N -0.06 1.15 0.54 0.00 2.07 0.31 0.02 116.25 120.27 3i8h h VAL 55 Ca 0.14 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 3i8h h VAL 55 Cb 0.28 1.67 0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3i8h h VAL 55 CO -0.32 0.34 -0.26 1.56 0.02 0.00 0.00 177.57 178.90 3i8h h GLN 56 N 0.00 -0.70 0.00 1.57 4.20 0.61 -2.49 115.11 118.30 3i8h h GLN 56 Ca -0.00 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3i8h h GLN 56 Cb 0.64 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.58 3i8h h GLN 56 CO 0.04 -0.47 0.17 1.57 -0.67 0.00 0.00 178.83 179.48 3i8h h LYS 57 N -0.84 0.00 0.09 1.46 2.10 -0.94 0.40 116.57 118.83 3i8h h LYS 57 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 3i8h h LYS 57 Cb 0.56 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 3i8h h LYS 57 CO 0.12 0.00 -0.07 0.00 -2.00 0.00 0.00 179.45 177.50 3i8h h ALA 58 N 1.66 -0.15 0.35 0.07 0.00 -0.56 -1.98 119.26 118.65 3i8h h ALA 58 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3i8h h ALA 58 Cb 0.34 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3i8h h ALA 58 CO 0.00 -0.59 -0.17 0.78 0.00 0.00 0.00 179.25 179.27 3i8h h GLY 59 N -0.17 -0.48 -0.65 0.00 0.00 0.09 -1.92 103.07 99.93 3i8h h GLY 59 Ca -0.00 0.18 0.18 0.00 0.00 0.00 0.00 47.33 47.69 3i8h h GLY 59 CO -0.01 -0.18 0.02 2.98 0.00 0.00 0.00 176.54 179.35 3i8h n TYR 60 N -5.16 0.42 -0.02 5.60 4.19 -0.54 0.84 117.16 122.50 3i8h n TYR 60 Ca -0.10 0.79 -0.16 0.00 3.31 0.00 0.00 57.90 61.74 3i8h n TYR 60 Cb 0.27 -0.99 -0.13 0.00 0.49 0.00 0.00 39.34 38.98 3i8h n TYR 60 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 3i8h h TYR 61 N 0.00 0.26 0.00 2.98 0.05 -1.34 -3.27 116.97 115.65 3i8h h TYR 61 Ca 0.40 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 59.01 3i8h h TYR 61 Cb 0.83 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.55 3i8h h TYR 61 CO -0.33 1.06 0.00 0.00 -1.05 0.00 0.00 178.16 177.84 3i8h n ALA 62 N -2.60 -0.15 -0.45 3.88 0.00 0.25 -0.52 120.51 120.92 3i8h n ALA 62 Ca -0.11 0.00 0.41 0.00 0.00 0.00 0.00 53.44 53.74 3i8h n ALA 62 Cb 0.58 0.35 0.77 0.00 0.00 0.00 0.00 19.45 21.15 3i8h n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8h h ARG 63 N 0.00 0.01 -0.72 0.00 3.08 -1.50 1.92 114.38 117.17 3i8h h ARG 63 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i8h h ARG 63 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3i8h h ARG 63 CO 0.00 0.01 0.00 -2.13 -1.07 0.00 0.00 179.97 176.78 3i8h n ARG 64 N -4.13 2.24 -3.24 0.04 0.63 0.32 -4.49 116.66 108.03 3i8h n ARG 64 Ca 0.32 -1.10 -0.03 0.00 -0.92 0.00 0.00 57.85 56.12 3i8h n ARG 64 Cb 1.49 -1.65 -0.03 0.00 0.45 0.00 0.00 32.46 32.72 3i8h n ARG 64 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3i8h s ASN 65 N -0.44 -0.80 0.00 6.15 2.47 0.65 -5.02 114.94 117.96 3i8h s ASN 65 Ca 0.19 -0.81 0.00 0.00 0.42 0.00 0.00 52.86 52.66 3i8h s ASN 65 Cb 0.14 1.59 0.00 0.00 -1.45 0.00 0.00 41.25 41.53 3i8h s ASN 65 CO 0.07 -0.22 0.00 0.23 -3.72 0.00 0.00 177.10 173.46 3i8h n MET 66 N 4.58 0.13 -3.56 0.43 2.81 -1.26 -2.09 117.12 118.15 3i8h n MET 66 Ca 0.09 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.90 3i8h n MET 66 Cb 0.53 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 33.01 3i8h n MET 66 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3i8h s VAL 67 N -1.89 0.00 -0.07 2.03 0.11 -1.12 -4.99 120.40 114.47 3i8h s VAL 67 Ca 0.00 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 3i8h s VAL 67 Cb 0.00 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.78 3i8h s VAL 67 CO 0.00 0.00 1.91 -1.83 -3.33 0.00 0.00 175.10 171.85 3i8h s GLU 68 N -1.95 3.90 -0.77 1.54 -1.05 -1.26 -4.09 118.70 115.03 3i8h s GLU 68 Ca 0.02 2.28 -0.02 0.00 -0.15 0.00 0.00 54.97 57.10 3i8h s GLU 68 Cb -0.01 -4.15 0.19 0.00 -0.44 0.00 0.00 34.13 29.72 3i8h s GLU 68 CO -0.03 -1.21 0.62 0.08 0.95 0.00 0.00 175.26 175.67 3i8h s VAL 69 N 5.23 4.04 -0.42 1.83 1.01 -1.12 -4.74 120.40 126.24 3i8h s VAL 69 Ca 0.85 -3.46 -0.28 0.00 0.00 0.00 0.00 61.98 59.10 3i8h s VAL 69 Cb -0.36 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 3i8h s VAL 69 CO 0.36 -0.99 2.35 -0.81 0.00 0.00 0.00 175.10 176.01 3i8h n PRO 70 N 2.86 1.28 -3.15 2.72 -0.04 -1.26 -4.65 135.00 132.76 3i8h n PRO 70 Ca 0.15 0.20 -0.27 0.00 -0.04 0.00 0.00 63.50 63.54 3i8h n PRO 70 Cb 0.38 -3.17 -0.02 0.00 -0.04 0.00 0.00 33.50 30.65 3i8h n PRO 70 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i8h s LEU 71 N 10.30 3.93 -0.27 1.53 1.43 -1.26 -4.27 118.68 130.06 3i8h s LEU 71 Ca 1.03 0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 54.85 3i8h s LEU 71 Cb -0.36 -3.60 0.14 0.00 0.03 0.00 0.00 46.19 42.40 3i8h s LEU 71 CO 0.33 -0.32 0.32 -1.10 0.23 0.00 0.00 176.35 175.81 3i8h s GLN 72 N -4.03 0.33 0.00 1.70 -0.21 -0.18 -4.83 119.66 112.44 3i8h s GLN 72 Ca 0.44 0.04 0.00 0.00 0.02 0.00 0.00 55.36 55.86 3i8h s GLN 72 Cb -0.10 -0.63 0.00 0.00 1.00 0.00 0.00 33.01 33.28 3i8h s GLN 72 CO 0.35 -0.94 0.00 -1.71 -2.12 0.00 0.00 175.29 170.87 3i8h n ASN 73 N 5.33 0.00 0.00 5.90 4.05 -1.26 -2.43 115.26 126.85 3i8h n ASN 73 Ca -0.02 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.01 3i8h n ASN 73 Cb 0.48 -1.36 0.00 0.00 1.23 0.00 0.00 39.78 40.12 3i8h n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i8h n GLY 74 N -2.00 3.25 0.70 8.20 0.00 -1.26 -4.91 105.19 109.17 3i8h n GLY 74 Ca 0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 3i8h n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3i8h n THR 75 N 0.00 0.00 -3.80 2.61 5.66 -1.02 -3.59 114.28 114.13 3i8h n THR 75 Ca 0.00 -0.09 -0.23 0.00 -3.05 0.00 0.00 64.05 60.68 3i8h n THR 75 Cb 0.00 -0.95 -0.04 0.00 -1.55 0.00 0.00 70.33 67.78 3i8h n THR 75 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3i8h s ILE 76 N -1.38 2.43 0.00 1.09 -4.36 -1.26 -1.01 121.20 116.70 3i8h s ILE 76 Ca 0.14 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 59.05 3i8h s ILE 76 Cb -0.01 -2.91 0.00 0.00 1.25 0.00 0.00 42.46 40.78 3i8h s ILE 76 CO 0.11 0.00 0.00 -0.81 0.24 0.00 0.00 174.94 174.48 3i8h n PRO 77 N -1.46 0.00 -2.43 0.37 -0.04 -1.26 -4.71 135.00 125.47 3i8h n PRO 77 Ca 0.01 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.21 3i8h n PRO 77 Cb 0.63 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.12 3i8h n PRO 77 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3i8h s HIS 78 N 0.00 3.23 0.02 0.54 -3.43 -1.26 -4.76 115.29 109.63 3i8h s HIS 78 Ca 0.00 0.60 -0.27 0.00 -0.80 0.00 0.00 55.06 54.59 3i8h s HIS 78 Cb 0.00 -2.73 -0.04 0.00 -1.43 0.00 0.00 32.58 28.38 3i8h s HIS 78 CO 0.00 -0.81 0.87 -1.83 -2.00 0.00 0.00 174.74 170.96 3i8h s GLU 79 N -4.97 4.55 0.22 -0.38 4.04 -1.26 -4.65 118.70 116.25 3i8h s GLU 79 Ca 0.54 1.23 0.11 0.00 0.04 0.00 0.00 54.97 56.89 3i8h s GLU 79 Cb -0.10 -3.42 -0.05 0.00 0.02 0.00 0.00 34.13 30.58 3i8h s GLU 79 CO 0.45 0.10 -0.22 -1.50 -1.84 0.00 0.00 175.26 172.25 3i8h s ILE 80 N 0.52 2.30 -0.20 1.83 1.10 0.31 -4.99 121.20 122.08 3i8h s ILE 80 Ca 0.45 -2.15 -0.06 0.00 -0.51 0.00 0.00 60.65 58.38 3i8h s ILE 80 Cb -0.21 -2.14 0.09 0.00 0.15 0.00 0.00 42.46 40.35 3i8h s ILE 80 CO 0.25 -0.25 0.40 -1.61 -2.11 0.00 0.00 174.94 171.61 3i8h s GLU 81 N -3.00 0.31 0.06 3.50 2.02 -1.26 -0.25 118.70 120.08 3i8h s GLU 81 Ca 0.23 0.93 0.00 0.00 0.02 0.00 0.00 54.97 56.16 3i8h s GLU 81 Cb -0.06 0.18 -0.04 0.00 0.10 0.00 0.00 34.13 34.31 3i8h s GLU 81 CO 0.11 -0.31 -0.05 0.08 0.02 0.00 0.00 175.26 175.11 3i8h s VAL 82 N 2.58 0.41 0.12 2.63 1.01 -0.18 -4.96 120.40 122.01 3i8h s VAL 82 Ca 0.01 -1.66 0.10 0.00 0.00 0.00 0.00 61.98 60.43 3i8h s VAL 82 Cb -0.12 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3i8h s VAL 82 CO -0.13 -0.82 -0.25 -1.61 0.00 0.00 0.00 175.10 172.29 3i8h s GLU 83 N -3.32 1.50 -0.24 2.72 2.02 -1.26 -0.50 118.70 119.63 3i8h s GLU 83 Ca 0.04 -1.30 -0.03 0.00 0.02 0.00 0.00 54.97 53.70 3i8h s GLU 83 Cb 0.03 -1.95 0.11 0.00 0.10 0.00 0.00 34.13 32.42 3i8h s GLU 83 CO -0.06 0.46 0.26 0.12 0.02 0.00 0.00 175.26 176.06 3i8h s PHE 84 N -1.06 -0.38 0.00 1.61 5.36 0.06 -4.99 117.98 118.59 3i8h s PHE 84 Ca 0.15 0.12 0.00 0.00 -0.96 0.00 0.00 56.93 56.24 3i8h s PHE 84 Cb -0.10 -0.37 0.00 0.00 -0.34 0.00 0.00 43.02 42.21 3i8h s PHE 84 CO 0.06 -0.73 0.00 0.41 -1.46 0.00 0.00 175.22 173.51 3i8h n GLY 85 N 5.32 0.74 1.37 13.12 0.00 -1.26 -2.40 105.19 122.08 3i8h n GLY 85 Ca -0.04 -0.68 0.08 0.00 0.00 0.00 0.00 46.02 45.38 3i8h n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8h n ALA 86 N 9.75 3.43 -2.99 4.61 0.00 -1.26 -4.90 120.51 129.14 3i8h n ALA 86 Ca 0.00 -2.14 -0.38 0.00 0.00 0.00 0.00 53.44 50.92 3i8h n ALA 86 Cb 0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 3i8h n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i8h s SER 87 N -1.40 5.38 -0.01 0.00 0.01 -1.01 0.75 113.70 117.42 3i8h s SER 87 Ca 0.48 -0.61 0.03 0.00 1.31 0.00 0.00 55.95 57.16 3i8h s SER 87 Cb 0.38 -1.95 -0.03 0.00 0.21 0.00 0.00 66.02 64.62 3i8h s SER 87 CO 0.12 -0.20 -0.07 -0.75 0.41 0.00 0.00 173.24 172.76 3i8h s LYS 88 N 1.57 2.59 -0.01 12.44 2.20 -0.87 -0.76 119.74 136.91 3i8h s LYS 88 Ca 0.04 -0.69 0.02 0.00 -0.36 0.00 0.00 55.97 54.98 3i8h s LYS 88 Cb -0.17 -2.52 -0.00 0.00 -1.51 0.00 0.00 37.83 33.63 3i8h s LYS 88 CO 0.05 0.61 -0.07 -1.50 -0.36 0.00 0.00 175.35 174.08 3i8h s ILE 89 N -0.96 0.57 -0.29 5.43 2.07 0.35 0.15 121.20 128.51 3i8h s ILE 89 Ca 0.16 -0.27 -0.01 0.00 -1.41 0.00 0.00 60.65 59.12 3i8h s ILE 89 Cb -0.11 -0.50 0.05 0.00 0.13 0.00 0.00 42.46 42.03 3i8h s ILE 89 CO 0.06 0.17 -0.02 -0.69 -1.91 0.00 0.00 174.94 172.56 3i8h s VAL 90 N 0.04 2.85 -0.32 4.00 1.01 -0.41 -1.01 120.40 126.56 3i8h s VAL 90 Ca -0.00 -1.40 -0.09 0.00 0.00 0.00 0.00 61.98 60.49 3i8h s VAL 90 Cb -0.05 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.70 3i8h s VAL 90 CO -0.00 -0.07 0.15 -0.76 0.00 0.00 0.00 175.10 174.41 3i8h s LEU 91 N 1.23 4.19 -0.19 3.92 1.02 0.66 -2.09 118.68 127.43 3i8h s LEU 91 Ca -0.05 -0.69 0.01 0.00 0.02 0.00 0.00 54.13 53.41 3i8h s LEU 91 Cb -0.20 -1.98 0.04 0.00 0.02 0.00 0.00 46.19 44.08 3i8h s LEU 91 CO -0.02 -0.24 -0.11 -0.75 0.02 0.00 0.00 176.35 175.25 3i8h s LYS 92 N 1.57 2.10 0.29 1.70 2.20 0.32 -0.53 119.74 127.38 3i8h s LYS 92 Ca 0.03 -0.76 -0.30 0.00 -0.36 0.00 0.00 55.97 54.58 3i8h s LYS 92 Cb -0.18 -2.33 -0.13 0.00 -1.51 0.00 0.00 37.83 33.69 3i8h s LYS 92 CO 0.05 -0.38 1.39 -0.35 -0.36 0.00 0.00 175.35 175.70 3i8h n PRO 93 N 4.71 2.17 -5.18 4.03 -0.04 -1.26 0.10 135.00 139.53 3i8h n PRO 93 Ca -0.15 0.77 -0.29 0.00 -0.04 0.00 0.00 63.50 63.78 3i8h n PRO 93 Cb 0.47 -2.41 -0.16 0.00 -0.04 0.00 0.00 33.50 31.37 3i8h n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i8h s ALA 94 N -0.48 1.97 0.83 0.55 0.00 -1.25 -4.77 121.76 118.62 3i8h s ALA 94 Ca 0.62 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.46 3i8h s ALA 94 Cb -0.59 -0.51 0.10 0.00 0.00 0.00 0.00 23.12 22.11 3i8h s ALA 94 CO 0.55 0.47 1.13 0.00 0.00 0.00 0.00 175.76 177.91 3i8h s ALA 95 N -0.52 1.87 0.29 0.00 0.00 -1.26 -4.57 121.76 117.57 3i8h s ALA 95 Ca 0.08 0.47 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 3i8h s ALA 95 Cb -0.09 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.54 3i8h s ALA 95 CO -0.01 -2.24 1.51 -1.25 0.00 0.00 0.00 175.76 173.77 3i8h s PRO 96 N -4.69 4.19 0.00 0.00 0.04 -1.26 -3.83 135.00 129.44 3i8h s PRO 96 Ca 0.65 2.45 0.00 0.00 0.04 0.00 0.00 61.00 64.14 3i8h s PRO 96 Cb -0.21 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.28 3i8h s PRO 96 CO 0.56 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.49 3i8h n GLY 97 N 1.89 2.81 0.00 0.56 0.00 -1.26 -5.02 105.19 104.17 3i8h n GLY 97 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3i8h n GLY 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i8h n THR 98 N 0.00 0.00 0.00 2.61 -1.04 -1.25 -5.09 114.28 109.51 3i8h n THR 98 Ca 0.00 0.61 0.00 0.00 -2.04 0.00 0.00 64.05 62.62 3i8h n THR 98 Cb 0.00 -1.36 0.00 0.00 -1.82 0.00 0.00 70.33 67.15 3i8h n THR 98 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i8h n GLY 99 N 1.31 0.54 3.25 3.41 0.00 -1.25 -5.03 105.19 107.42 3i8h n GLY 99 Ca 0.00 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 3i8h n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8h s VAL 100 N -1.38 2.19 -0.26 1.61 1.01 -0.95 -1.39 120.40 121.23 3i8h s VAL 100 Ca 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 3i8h s VAL 100 Cb 0.00 -1.83 0.08 0.00 0.00 0.00 0.00 36.38 34.63 3i8h s VAL 100 CO 0.00 0.56 0.07 0.27 0.00 0.00 0.00 175.10 176.00 3i8h s ILE 101 N 0.21 0.66 0.31 2.22 -0.00 -1.21 -4.98 121.20 118.42 3i8h s ILE 101 Ca -0.14 -0.98 -0.14 0.00 -0.00 0.00 0.00 60.65 59.39 3i8h s ILE 101 Cb -0.17 -1.34 0.02 0.00 -0.00 0.00 0.00 42.46 40.97 3i8h s ILE 101 CO 0.07 -0.47 0.61 0.00 -0.00 0.00 0.00 174.94 175.16 3i8h s ALA 102 N 1.76 -0.40 0.91 2.27 0.00 -1.26 -3.17 121.76 121.86 3i8h s ALA 102 Ca 0.05 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 3i8h s ALA 102 Cb -0.17 0.94 0.14 0.00 0.00 0.00 0.00 23.12 24.02 3i8h s ALA 102 CO -0.19 -0.92 1.10 0.20 0.00 0.00 0.00 175.76 175.95 3i8h s GLY 103 N -3.05 1.64 0.15 0.00 0.00 -1.26 -4.58 107.32 100.23 3i8h s GLY 103 Ca 0.20 0.14 0.10 0.00 0.00 0.00 0.00 44.72 45.15 3i8h s GLY 103 CO 0.11 0.61 1.28 0.00 0.00 0.00 0.00 173.10 175.10 3i8h n ALA 104 N -4.01 0.96 -0.06 3.20 0.00 -1.26 -1.14 120.51 118.20 3i8h n ALA 104 Ca 0.08 0.09 -0.04 0.00 0.00 0.00 0.00 53.44 53.57 3i8h n ALA 104 Cb 0.54 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 3i8h n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i8h n VAL 105 N -1.83 1.26 -0.10 0.00 0.31 -1.26 -3.66 118.33 113.04 3i8h n VAL 105 Ca -0.01 0.25 -0.09 0.00 -0.01 0.00 0.00 64.34 64.48 3i8h n VAL 105 Cb 0.05 -2.29 -0.02 0.00 -0.91 0.00 0.00 33.84 30.68 3i8h n VAL 105 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3i8h h PRO 106 N -0.88 0.45 -0.30 5.55 0.13 -1.85 -2.76 132.00 132.34 3i8h h PRO 106 Ca 0.00 -0.05 0.07 0.00 -0.87 0.00 0.00 66.00 65.15 3i8h h PRO 106 Cb 0.48 -0.09 -0.07 0.00 0.13 0.00 0.00 31.00 31.45 3i8h h PRO 106 CO 0.00 0.36 -0.21 -0.09 -0.23 0.00 0.00 178.00 177.84 3i8h h ARG 107 N 0.41 -0.17 -0.02 0.86 2.43 -1.37 -0.85 114.38 115.67 3i8h h ARG 107 Ca 0.12 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3i8h h ARG 107 Cb 0.04 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3i8h h ARG 107 CO -0.02 -0.12 0.52 0.00 -1.51 0.00 0.00 179.97 178.85 3i8h h ALA 108 N 0.97 1.55 0.00 2.80 0.00 -1.56 0.53 119.26 123.55 3i8h h ALA 108 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i8h h ALA 108 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3i8h h ALA 108 CO -0.40 -0.53 -0.39 -0.89 0.00 0.00 0.00 179.25 177.04 3i8h n ILE 109 N -2.81 0.85 -0.38 0.00 5.41 -0.38 -3.84 119.36 118.22 3i8h n ILE 109 Ca -0.01 0.32 0.30 0.00 1.00 0.00 0.00 62.75 64.36 3i8h n ILE 109 Cb 0.56 -2.02 0.58 0.00 -0.71 0.00 0.00 39.64 38.06 3i8h n ILE 109 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3i8h h LEU 110 N -0.59 0.33 -0.13 1.39 3.38 -0.87 0.18 115.31 119.01 3i8h h LEU 110 Ca 0.00 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3i8h h LEU 110 Cb 0.39 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3i8h h LEU 110 CO 0.00 -0.04 -0.17 -0.33 0.09 0.00 0.00 178.44 177.99 3i8h h GLU 111 N 0.23 0.34 0.00 1.13 5.08 -1.07 -2.84 114.58 117.46 3i8h h GLU 111 Ca 0.70 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.86 3i8h h GLU 111 Cb 2.03 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.29 3i8h h GLU 111 CO -0.34 0.77 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.36 3i8h h LEU 112 N -0.06 0.00 -3.48 1.33 3.38 -0.80 0.37 115.31 116.05 3i8h h LEU 112 Ca 0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 3i8h h LEU 112 Cb 0.73 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.38 3i8h h LEU 112 CO 0.04 0.01 0.21 0.00 0.09 0.00 0.00 178.44 178.79 3i8h n ALA 113 N -2.15 4.30 0.00 1.53 0.00 -0.48 -0.08 120.51 123.63 3i8h n ALA 113 Ca -0.03 -2.04 0.00 0.00 0.00 0.00 0.00 53.44 51.38 3i8h n ALA 113 Cb 0.11 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3i8h n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8h n GLY 114 N 0.02 1.67 0.87 0.00 0.00 0.13 -3.11 105.19 104.77 3i8h n GLY 114 Ca 0.35 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 3i8h n GLY 114 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i8h n VAL 115 N 0.00 -0.26 0.43 1.61 0.31 -1.15 -4.15 118.33 115.12 3i8h n VAL 115 Ca 0.00 0.05 0.12 0.00 -0.01 0.00 0.00 64.34 64.50 3i8h n VAL 115 Cb 0.00 -0.35 0.07 0.00 -0.91 0.00 0.00 33.84 32.64 3i8h n VAL 115 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3i8h n THR 116 N 0.52 0.35 -3.66 2.52 -1.04 -1.24 -4.21 114.28 107.51 3i8h n THR 116 Ca -0.00 -0.34 -0.28 0.00 -2.04 0.00 0.00 64.05 61.39 3i8h n THR 116 Cb 0.06 -0.07 -0.16 0.00 -1.82 0.00 0.00 70.33 68.34 3i8h n THR 116 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3i8h s ASP 117 N -4.43 2.93 0.06 8.00 1.11 -1.24 -2.23 116.67 120.86 3i8h s ASP 117 Ca 0.03 -0.90 -0.18 0.00 0.18 0.00 0.00 52.55 51.68 3i8h s ASP 117 Cb 0.13 -0.47 0.04 0.00 1.07 0.00 0.00 42.92 43.69 3i8h s ASP 117 CO 0.77 -0.35 0.42 -0.51 1.18 0.00 0.00 175.17 176.68 3i8h s ILE 118 N 1.96 0.05 -0.18 0.77 1.10 -0.48 -3.61 121.20 120.82 3i8h s ILE 118 Ca 0.03 -0.45 -0.00 0.00 -0.51 0.00 0.00 60.65 59.71 3i8h s ILE 118 Cb -0.17 -0.98 0.00 0.00 0.15 0.00 0.00 42.46 41.46 3i8h s ILE 118 CO -0.14 -0.25 -0.14 -0.76 -2.11 0.00 0.00 174.94 171.54 3i8h s LEU 119 N -2.11 2.47 0.25 8.50 1.43 0.11 -3.31 118.68 126.03 3i8h s LEU 119 Ca -0.04 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3i8h s LEU 119 Cb -0.00 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 3i8h s LEU 119 CO -0.04 0.04 0.10 0.42 0.23 0.00 0.00 176.35 177.10 3i8h s THR 120 N 1.08 0.53 -0.29 5.49 -4.23 -1.19 0.12 115.64 117.16 3i8h s THR 120 Ca -0.00 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.34 3i8h s THR 120 Cb -0.14 -2.62 0.12 0.00 1.34 0.00 0.00 72.50 71.20 3i8h s THR 120 CO -0.04 -0.01 0.89 -0.75 -0.54 0.00 0.00 174.62 174.16 3i8h s LYS 121 N -4.04 0.49 0.09 3.99 2.47 -0.89 -4.78 119.74 117.07 3i8h s LYS 121 Ca 0.38 0.83 -0.21 0.00 -1.56 0.00 0.00 55.97 55.41 3i8h s LYS 121 Cb 0.08 0.11 -0.07 0.00 -1.46 0.00 0.00 37.83 36.49 3i8h s LYS 121 CO 0.13 -0.10 0.62 -1.21 0.16 0.00 0.00 175.35 174.96 3i8h s GLU 122 N 1.37 4.30 0.28 4.03 2.02 -1.26 -1.29 118.70 128.15 3i8h s GLU 122 Ca -0.09 0.84 0.03 0.00 0.02 0.00 0.00 54.97 55.78 3i8h s GLU 122 Cb -0.04 -3.26 -0.06 0.00 0.10 0.00 0.00 34.13 30.88 3i8h s GLU 122 CO -0.16 0.59 0.05 -0.51 0.02 0.00 0.00 175.26 175.25 3i8h s LEU 123 N -1.02 2.07 0.00 1.80 1.43 0.12 -4.99 118.68 118.09 3i8h s LEU 123 Ca 0.31 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 3i8h s LEU 123 Cb -0.20 -0.27 0.00 0.00 0.03 0.00 0.00 46.19 45.75 3i8h s LEU 123 CO 0.21 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 176.80 3i8h n GLY 124 N -0.56 1.82 3.65 -3.19 0.00 -1.26 -2.04 105.19 103.60 3i8h n GLY 124 Ca -0.03 -0.45 -0.45 0.00 0.00 0.00 0.00 46.02 45.09 3i8h n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i8h n SER 125 N -1.40 3.60 -1.22 1.61 2.88 0.23 -4.83 113.62 114.48 3i8h n SER 125 Ca 0.00 0.79 0.04 0.00 -1.33 0.00 0.00 58.87 58.37 3i8h n SER 125 Cb 0.00 -1.45 0.22 0.00 -0.75 0.00 0.00 64.21 62.23 3i8h n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3i8h n ARG 126 N 7.41 3.03 -1.79 -1.46 1.74 -1.26 -4.31 116.66 120.02 3i8h n ARG 126 Ca 0.24 -1.73 -0.41 0.00 -0.77 0.00 0.00 57.85 55.17 3i8h n ARG 126 Cb 0.35 -1.85 -0.01 0.00 -1.02 0.00 0.00 32.46 29.93 3i8h n ARG 126 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3i8h s ASN 127 N -0.51 6.36 0.00 0.55 3.84 -1.26 -4.86 114.94 119.06 3i8h s ASN 127 Ca 0.30 2.99 0.00 0.00 0.21 0.00 0.00 52.86 56.36 3i8h s ASN 127 Cb 0.22 -2.65 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 3i8h s ASN 127 CO 0.10 -0.90 0.82 -2.65 -2.79 0.00 0.00 177.10 171.69 3i8h n PRO 128 N 1.52 0.00 -0.49 0.43 -0.02 -1.26 -0.78 135.00 134.40 3i8h n PRO 128 Ca 0.05 0.37 0.38 0.00 -2.02 0.00 0.00 63.50 62.29 3i8h n PRO 128 Cb 0.38 -1.32 0.60 0.00 -0.02 0.00 0.00 33.50 33.14 3i8h n PRO 128 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3i8h n ILE 129 N -1.55 -0.06 -0.09 4.25 5.41 -1.26 -0.20 119.36 125.85 3i8h n ILE 129 Ca 0.00 1.23 -0.23 0.00 1.00 0.00 0.00 62.75 64.75 3i8h n ILE 129 Cb 0.00 -2.05 -0.12 0.00 -0.71 0.00 0.00 39.64 36.77 3i8h n ILE 129 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3i8h n ASN 130 N -3.73 1.97 -0.01 4.38 3.02 -1.17 -3.28 115.26 116.44 3i8h n ASN 130 Ca 0.34 0.26 0.23 0.00 -0.03 0.00 0.00 54.58 55.37 3i8h n ASN 130 Cb 1.46 -0.82 0.72 0.00 -0.61 0.00 0.00 39.78 40.53 3i8h n ASN 130 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3i8h h ILE 131 N -0.59 0.50 0.00 2.41 1.08 0.14 0.98 117.51 122.02 3i8h h ILE 131 Ca -0.50 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 3i8h h ILE 131 Cb 1.65 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 36.04 3i8h h ILE 131 CO -0.18 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.28 3i8h n ALA 132 N -2.51 -0.23 0.27 1.87 0.00 0.72 -1.98 120.51 118.65 3i8h n ALA 132 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.66 3i8h n ALA 132 Cb 0.72 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.64 3i8h n ALA 132 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3i8h h TYR 133 N 0.00 0.00 -0.08 0.00 -1.99 -1.40 0.64 116.97 114.14 3i8h h TYR 133 Ca 0.00 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 3i8h h TYR 133 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 3i8h h TYR 133 CO 0.11 0.00 -0.25 0.00 -0.00 0.00 0.00 178.16 178.01 3i8h h ALA 134 N 0.77 0.14 -0.46 3.88 0.00 -0.72 -2.95 119.26 119.92 3i8h h ALA 134 Ca 0.06 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.60 3i8h h ALA 134 Cb 1.40 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 3i8h h ALA 134 CO -0.00 0.14 0.23 1.15 0.00 0.00 0.00 179.25 180.77 3i8h h THR 135 N -0.17 0.97 0.33 0.00 2.02 0.94 -0.66 112.91 116.34 3i8h h THR 135 Ca -0.01 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 3i8h h THR 135 Cb 0.88 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3i8h h THR 135 CO 0.05 0.08 -0.24 0.24 0.37 0.00 0.00 175.52 176.03 3i8h h MET 136 N 0.46 -0.53 -0.33 6.66 2.07 -1.55 0.25 114.93 121.97 3i8h h MET 136 Ca 0.20 0.04 0.09 0.00 -2.07 0.00 0.00 59.70 57.96 3i8h h MET 136 Cb 0.10 0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 29.94 3i8h h MET 136 CO -0.14 -0.35 0.34 0.93 1.07 0.00 0.00 176.91 178.77 3i8h h GLU 137 N -0.55 0.00 0.17 1.72 4.39 -1.50 0.82 114.58 119.62 3i8h h GLU 137 Ca -0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3i8h h GLU 137 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3i8h h GLU 137 CO 0.02 0.00 -0.08 0.00 -1.16 0.00 0.00 179.01 177.79 3i8h h ALA 138 N 1.62 -0.22 0.20 3.43 0.00 -0.45 -2.44 119.26 121.40 3i8h h ALA 138 Ca 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3i8h h ALA 138 Cb 0.84 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3i8h h ALA 138 CO -0.00 -0.42 -0.10 -0.07 0.00 0.00 0.00 179.25 178.66 3i8h h LEU 139 N -0.63 -0.23 -1.49 0.00 3.38 0.13 -2.83 115.31 113.65 3i8h h LEU 139 Ca -0.02 -0.14 0.22 0.00 0.09 0.00 0.00 57.88 58.02 3i8h h LEU 139 Cb 0.47 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3i8h h LEU 139 CO 0.04 0.01 0.87 -0.09 0.09 0.00 0.00 178.44 179.36 3i8h h ARG 140 N -0.47 0.00 -0.24 1.13 2.43 0.51 0.78 114.38 118.52 3i8h h ARG 140 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3i8h h ARG 140 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3i8h h ARG 140 CO 0.04 0.00 0.00 1.04 -1.51 0.00 0.00 179.97 179.54 3i8h n GLN 141 N -3.44 2.08 -2.03 0.20 6.02 -0.92 -4.96 117.38 114.33 3i8h n GLN 141 Ca 0.16 -1.62 -0.38 0.00 -0.01 0.00 0.00 57.00 55.15 3i8h n GLN 141 Cb 1.12 -1.45 0.01 0.00 1.02 0.00 0.00 30.24 30.94 3i8h n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3i8h s LEU 142 N -1.58 4.04 0.01 1.08 1.43 0.27 -5.04 118.68 118.89 3i8h s LEU 142 Ca 0.35 2.59 -0.00 0.00 -1.03 0.00 0.00 54.13 56.03 3i8h s LEU 142 Cb 0.20 -4.12 -0.01 0.00 0.03 0.00 0.00 46.19 42.28 3i8h s LEU 142 CO 0.29 -1.10 -0.02 -0.13 0.23 0.00 0.00 176.35 175.62 3i8h s ARG 143 N -2.60 0.21 0.33 1.70 1.81 -1.26 -4.96 118.95 114.19 3i8h s ARG 143 Ca 0.64 -0.41 0.08 0.00 -1.72 0.00 0.00 55.73 54.32 3i8h s ARG 143 Cb -0.36 0.08 -0.04 0.00 -0.45 0.00 0.00 34.95 34.18 3i8h s ARG 143 CO 0.44 -0.03 0.14 0.95 -0.68 0.00 0.00 175.30 176.12 3i8h s THR 144 N -0.98 3.20 0.29 0.02 -4.23 -1.26 -4.28 115.64 108.39 3i8h s THR 144 Ca -0.11 -1.68 0.04 0.00 -1.18 0.00 0.00 61.69 58.76 3i8h s THR 144 Cb -0.07 -3.00 0.29 0.00 1.34 0.00 0.00 72.50 71.06 3i8h s THR 144 CO -0.01 -0.22 1.69 0.50 -0.54 0.00 0.00 174.62 176.05 3i8h h LYS 145 N 1.56 0.38 0.00 3.99 3.64 -2.02 -0.54 116.57 123.58 3i8h h LYS 145 Ca -0.44 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3i8h h LYS 145 Cb 1.25 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3i8h h LYS 145 CO 0.62 0.25 0.00 0.00 -2.27 0.00 0.00 179.45 178.05 3i8h n ALA 146 N -2.51 0.00 0.11 5.00 0.00 -1.26 0.12 120.51 121.97 3i8h n ALA 146 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.70 3i8h n ALA 146 Cb 0.65 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.33 3i8h n ALA 146 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i8h n ASP 147 N 0.00 0.22 0.02 0.00 3.85 -1.20 0.35 116.55 119.79 3i8h n ASP 147 Ca 0.00 0.46 -0.18 0.00 -0.71 0.00 0.00 54.79 54.35 3i8h n ASP 147 Cb 0.00 -0.41 -0.13 0.00 -1.35 0.00 0.00 41.12 39.22 3i8h n ASP 147 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 3i8h h VAL 148 N 0.00 1.54 -0.55 2.12 2.07 -0.77 -3.22 116.25 117.44 3i8h h VAL 148 Ca 0.00 -2.36 -0.02 0.00 0.82 0.00 0.00 66.70 65.14 3i8h h VAL 148 Cb 0.57 3.06 -0.03 0.00 -1.52 0.00 0.00 31.29 33.38 3i8h h VAL 148 CO 0.00 0.66 0.27 -0.33 0.02 0.00 0.00 177.57 178.19 3i8h h GLU 149 N -0.41 0.79 0.00 1.57 5.08 0.40 -2.24 114.58 119.77 3i8h h GLU 149 Ca -0.10 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3i8h h GLU 149 Cb 1.42 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3i8h h GLU 149 CO 0.11 0.64 0.29 -0.09 -1.00 0.00 0.00 179.01 178.97 3i8h h ARG 150 N 0.74 0.00 0.00 2.33 2.43 -1.35 -2.78 114.38 115.75 3i8h h ARG 150 Ca 0.19 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.29 3i8h h ARG 150 Cb 0.11 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3i8h h ARG 150 CO -0.02 0.00 -0.68 -0.07 -1.51 0.00 0.00 179.97 177.68 3i8h h LEU 151 N 0.00 0.00 -2.53 3.80 3.38 -1.41 -3.39 115.31 115.15 3i8h h LEU 151 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3i8h h LEU 151 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3i8h h LEU 151 CO 0.00 0.96 0.00 0.54 0.09 0.00 0.00 178.44 180.03 3i8h n ARG 152 N -4.57 0.57 0.00 1.13 1.74 -1.05 -2.51 116.66 111.96 3i8h n ARG 152 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 3i8h n ARG 152 Cb 0.38 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 3i8h n ARG 152 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3i8h n LYS 153 N 1.09 3.45 0.00 5.56 -0.00 -1.23 -5.06 118.16 121.97 3i8h n LYS 153 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.09 3i8h n LYS 153 Cb 0.28 -0.71 0.00 0.00 -0.00 0.00 0.00 35.03 34.60 3i8h n LYS 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i8h n GLY 154 N 0.55 2.07 0.00 2.58 0.00 -1.05 -5.16 105.19 104.19 3i8h n GLY 154 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3i8h n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11