#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5c s PHE 6 N 0.00 2.82 0.11 2.11 0.40 -1.26 -5.00 117.98 117.15 3d5c s PHE 6 Ca 0.00 0.33 -0.31 0.00 -0.60 0.00 0.00 56.93 56.35 3d5c s PHE 6 Cb 0.00 -3.14 -0.08 0.00 0.51 0.00 0.00 43.02 40.32 3d5c s PHE 6 CO 0.00 -1.36 1.37 -2.00 0.70 0.00 0.00 175.22 173.93 3d5c s GLU 7 N -5.18 4.33 -0.01 0.44 2.56 0.44 -4.69 118.70 116.60 3d5c s GLU 7 Ca 0.60 2.04 0.05 0.00 0.00 0.00 0.00 54.97 57.66 3d5c s GLU 7 Cb -0.10 -3.27 -0.03 0.00 2.00 0.00 0.00 34.13 32.73 3d5c s GLU 7 CO 0.44 -0.42 -0.15 -2.00 -0.56 0.00 0.00 175.26 172.57 3d5c s GLU 8 N 1.13 2.33 -0.28 4.30 -6.30 -1.26 -0.49 118.70 118.13 3d5c s GLU 8 Ca 0.64 -0.82 -0.24 0.00 -2.50 0.00 0.00 54.97 52.06 3d5c s GLU 8 Cb -0.36 -2.31 0.09 0.00 0.00 0.00 0.00 34.13 31.55 3d5c s GLU 8 CO 0.30 0.59 0.83 0.21 0.02 0.00 0.00 175.26 177.20 3d5c s LYS 9 N -1.10 0.70 0.44 4.30 2.20 -0.37 -5.02 119.74 120.90 3d5c s LYS 9 Ca 0.14 0.88 0.02 0.00 -0.36 0.00 0.00 55.97 56.64 3d5c s LYS 9 Cb -0.11 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 3d5c s LYS 9 CO 0.03 -0.09 0.65 0.00 -0.36 0.00 0.00 175.35 175.58 3d5c s MET 10 N 0.50 2.98 -0.04 4.03 0.23 -1.26 -0.66 119.30 125.07 3d5c s MET 10 Ca -0.00 -0.66 -0.05 0.00 -1.03 0.00 0.00 55.69 53.94 3d5c s MET 10 Cb -0.05 -2.60 -0.02 0.00 -1.53 0.00 0.00 34.83 30.63 3d5c s MET 10 CO -0.04 -0.28 -0.10 -0.89 -2.03 0.00 0.00 175.02 171.68 3d5c n ILE 11 N -2.03 0.56 -3.83 3.16 2.08 0.26 -4.89 119.36 114.67 3d5c n ILE 11 Ca 0.02 0.31 -0.09 0.00 0.56 0.00 0.00 62.75 63.56 3d5c n ILE 11 Cb 0.58 -1.69 -0.07 0.00 -0.75 0.00 0.00 39.64 37.71 3d5c n ILE 11 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 3d5c s LEU 12 N -6.04 1.32 -0.33 1.39 -0.00 -1.24 -4.99 118.68 108.78 3d5c s LEU 12 Ca -0.09 -0.56 -0.01 0.00 -0.00 0.00 0.00 54.13 53.47 3d5c s LEU 12 Cb 0.01 1.09 0.11 0.00 -0.00 0.00 0.00 46.19 47.41 3d5c s LEU 12 CO 0.13 -0.71 0.14 -0.63 -0.00 0.00 0.00 176.35 175.29 3d5c s ILE 13 N -3.60 0.55 0.77 1.48 1.09 -1.26 -1.49 121.20 118.74 3d5c s ILE 13 Ca 0.03 -1.42 -0.07 0.00 -1.10 0.00 0.00 60.65 58.09 3d5c s ILE 13 Cb 0.04 -1.42 0.12 0.00 -1.06 0.00 0.00 42.46 40.13 3d5c s ILE 13 CO -0.10 -0.77 1.08 0.00 -0.10 0.00 0.00 174.94 175.05 3d5c s ARG 14 N 1.50 1.65 -0.39 2.79 1.70 -0.70 -4.91 118.95 120.58 3d5c s ARG 14 Ca 0.12 -0.57 0.01 0.00 -0.47 0.00 0.00 55.73 54.82 3d5c s ARG 14 Cb -0.19 -2.14 0.13 0.00 -0.57 0.00 0.00 34.95 32.18 3d5c s ARG 14 CO -0.21 -1.59 0.21 0.50 -1.08 0.00 0.00 175.30 173.13 3d5c s ARG 15 N -5.37 0.94 0.32 3.89 3.52 -1.26 -2.82 118.95 118.16 3d5c s ARG 15 Ca 0.65 -1.64 -0.15 0.00 -0.13 0.00 0.00 55.73 54.47 3d5c s ARG 15 Cb -0.07 -1.90 -0.09 0.00 -1.56 0.00 0.00 34.95 31.33 3d5c s ARG 15 CO 0.47 -1.16 0.73 -0.08 -0.81 0.00 0.00 175.30 174.44 3d5c s THR 16 N 0.77 4.69 0.43 4.11 -1.32 -1.17 -4.91 115.64 118.24 3d5c s THR 16 Ca 0.17 0.94 0.01 0.00 -1.21 0.00 0.00 61.69 61.60 3d5c s THR 16 Cb -0.23 -3.62 -0.00 0.00 -1.51 0.00 0.00 72.50 67.14 3d5c s THR 16 CO -0.02 -0.17 0.04 0.00 -2.21 0.00 0.00 174.62 172.25 3d5c n ALA 17 N -0.33 0.43 -3.70 11.08 0.00 -1.26 0.13 120.51 126.86 3d5c n ALA 17 Ca 0.03 -2.00 -0.19 0.00 0.00 0.00 0.00 53.44 51.29 3d5c n ALA 17 Cb 0.53 1.16 -0.18 0.00 0.00 0.00 0.00 19.45 20.97 3d5c n ALA 17 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3d5c s ARG 18 N -3.58 -0.05 0.31 0.00 0.52 0.38 -4.90 118.95 111.63 3d5c s ARG 18 Ca 0.05 0.33 -0.29 0.00 -0.52 0.00 0.00 55.73 55.30 3d5c s ARG 18 Cb 0.00 -0.46 -0.10 0.00 0.52 0.00 0.00 34.95 34.91 3d5c s ARG 18 CO 0.04 -0.29 1.24 -1.64 0.02 0.00 0.00 175.30 174.66 3d5c s MET 19 N 1.90 4.46 -0.27 3.54 -1.94 -1.26 -3.33 119.30 122.39 3d5c s MET 19 Ca 0.02 2.07 -0.26 0.00 -1.71 0.00 0.00 55.69 55.80 3d5c s MET 19 Cb -0.12 -3.12 0.15 0.00 2.01 0.00 0.00 34.83 33.75 3d5c s MET 19 CO -0.03 -0.05 1.18 -1.14 -0.01 0.00 0.00 175.02 174.97 3d5c s GLN 20 N -1.59 0.34 -0.49 2.03 -0.44 -1.17 -5.01 119.66 113.33 3d5c s GLN 20 Ca 0.48 0.34 -0.46 0.00 -2.50 0.00 0.00 55.36 53.22 3d5c s GLN 20 Cb -0.37 0.17 -0.20 0.00 -1.64 0.00 0.00 33.01 30.97 3d5c s GLN 20 CO 0.48 -0.06 1.68 0.00 0.50 0.00 0.00 175.29 177.90 3d5c n ALA 21 N 1.74 -1.09 0.00 1.58 0.00 -1.26 -2.42 120.51 119.06 3d5c n ALA 21 Ca -0.11 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3d5c n ALA 21 Cb 0.57 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3d5c n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d5c n GLY 22 N 4.49 2.20 0.00 0.00 0.00 -1.26 -5.00 105.19 105.62 3d5c n GLY 22 Ca 0.34 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3d5c n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5c n GLY 23 N 0.00 5.52 2.58 -0.02 0.00 -1.02 -5.14 105.19 107.12 3d5c n GLY 23 Ca 0.00 -1.42 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 3d5c n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3d5c s ARG 24 N 1.70 0.71 0.98 1.61 1.70 -1.26 -3.03 118.95 121.37 3d5c s ARG 24 Ca 0.00 -1.33 -0.11 0.00 -0.47 0.00 0.00 55.73 53.81 3d5c s ARG 24 Cb 0.00 -1.01 0.18 0.00 -0.57 0.00 0.00 34.95 33.55 3d5c s ARG 24 CO 0.00 -1.26 1.09 1.03 -1.08 0.00 0.00 175.30 175.08 3d5c s ARG 25 N 0.93 0.52 0.43 3.89 3.00 -1.21 -4.60 118.95 121.91 3d5c s ARG 25 Ca 0.22 1.06 0.04 0.00 0.00 0.00 0.00 55.73 57.06 3d5c s ARG 25 Cb -0.12 -1.70 -0.05 0.00 0.00 0.00 0.00 34.95 33.08 3d5c s ARG 25 CO -0.06 -2.82 0.03 -0.06 0.00 0.00 0.00 175.30 172.39 3d5c s PHE 26 N -2.70 2.14 -0.28 -0.53 0.40 -1.26 -0.47 117.98 115.28 3d5c s PHE 26 Ca 0.66 -0.88 -0.02 0.00 -0.60 0.00 0.00 56.93 56.09 3d5c s PHE 26 Cb -0.22 -1.57 0.17 0.00 0.51 0.00 0.00 43.02 41.91 3d5c s PHE 26 CO 0.60 0.22 0.51 1.03 0.70 0.00 0.00 175.22 178.28 3d5c s ARG 27 N -3.79 0.48 0.45 0.44 0.52 0.12 -4.84 118.95 112.32 3d5c s ARG 27 Ca 0.25 0.83 -0.20 0.00 -0.52 0.00 0.00 55.73 56.09 3d5c s ARG 27 Cb 0.06 0.16 -0.10 0.00 0.52 0.00 0.00 34.95 35.59 3d5c s ARG 27 CO 0.12 -0.62 0.95 -0.06 0.02 0.00 0.00 175.30 175.72 3d5c s PHE 28 N 2.74 3.34 -0.03 -0.53 0.40 -0.59 -3.06 117.98 120.26 3d5c s PHE 28 Ca 0.17 1.57 0.01 0.00 -0.60 0.00 0.00 56.93 58.08 3d5c s PHE 28 Cb -0.15 -2.83 0.02 0.00 0.51 0.00 0.00 43.02 40.57 3d5c s PHE 28 CO -0.19 -0.16 -0.02 0.20 0.70 0.00 0.00 175.22 175.74 3d5c s GLY 29 N -2.39 0.31 -0.06 4.36 0.00 -1.13 -1.45 107.32 106.96 3d5c s GLY 29 Ca 0.61 0.03 0.03 0.00 0.00 0.00 0.00 44.72 45.38 3d5c s GLY 29 CO 0.17 0.40 -0.14 0.00 0.00 0.00 0.00 173.10 173.53 3d5c s ALA 30 N 0.77 1.35 -0.17 3.20 0.00 -0.61 -1.72 121.76 124.58 3d5c s ALA 30 Ca -0.09 -0.50 -0.15 0.00 0.00 0.00 0.00 51.96 51.22 3d5c s ALA 30 Cb -0.12 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 3d5c s ALA 30 CO -0.01 0.16 0.37 -1.17 0.00 0.00 0.00 175.76 175.11 3d5c s LEU 31 N 0.50 4.21 0.02 0.00 0.20 -0.56 -1.60 118.68 121.47 3d5c s LEU 31 Ca -0.12 0.56 0.02 0.00 0.69 0.00 0.00 54.13 55.28 3d5c s LEU 31 Cb -0.15 -2.48 -0.02 0.00 -0.43 0.00 0.00 46.19 43.11 3d5c s LEU 31 CO 0.04 0.01 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.34 3d5c s VAL 32 N 0.85 0.55 0.04 1.68 1.01 -0.26 0.92 120.40 125.19 3d5c s VAL 32 Ca 0.19 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.50 3d5c s VAL 32 Cb -0.14 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 3d5c s VAL 32 CO 0.07 -0.13 -0.12 -0.69 0.00 0.00 0.00 175.10 174.22 3d5c s VAL 33 N -0.80 0.95 0.24 2.92 1.01 0.16 -1.17 120.40 123.71 3d5c s VAL 33 Ca -0.04 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 60.99 3d5c s VAL 33 Cb -0.06 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 3d5c s VAL 33 CO 0.00 -0.11 -0.10 -0.69 0.00 0.00 0.00 175.10 174.20 3d5c s VAL 34 N -0.99 1.66 0.00 2.92 1.01 0.51 -1.23 120.40 124.27 3d5c s VAL 34 Ca -0.01 -2.17 0.00 0.00 0.00 0.00 0.00 61.98 59.80 3d5c s VAL 34 Cb -0.08 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3d5c s VAL 34 CO 0.01 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.26 3d5c n GLY 35 N -0.46 2.37 0.66 4.51 0.00 0.35 -1.34 105.19 111.28 3d5c n GLY 35 Ca -0.07 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.70 3d5c n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d5c n ASP 36 N 0.00 1.92 -2.93 1.61 5.75 -0.89 -0.42 116.55 121.59 3d5c n ASP 36 Ca 0.00 -1.96 -0.18 0.00 -0.01 0.00 0.00 54.79 52.64 3d5c n ASP 36 Cb 0.00 -0.23 0.06 0.00 -1.03 0.00 0.00 41.12 39.93 3d5c n ASP 36 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3d5c n ARG 37 N 0.54 -6.11 -2.67 0.11 1.74 -0.20 -4.91 116.66 105.16 3d5c n ARG 37 Ca 0.13 0.66 -0.03 0.00 -0.77 0.00 0.00 57.85 57.83 3d5c n ARG 37 Cb 0.31 -5.16 0.03 0.00 -1.02 0.00 0.00 32.46 26.62 3d5c n ARG 37 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3d5c n GLN 38 N -3.95 0.09 0.00 5.56 7.27 -1.25 -3.73 117.38 121.37 3d5c n GLN 38 Ca -0.03 -0.76 0.00 0.00 0.07 0.00 0.00 57.00 56.27 3d5c n GLN 38 Cb 0.56 0.16 0.00 0.00 2.41 0.00 0.00 30.24 33.37 3d5c n GLN 38 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3d5c n GLY 39 N 2.57 1.37 3.55 1.69 0.00 -1.16 -4.93 105.19 108.29 3d5c n GLY 39 Ca 0.11 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3d5c n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d5c s ARG 40 N 0.00 3.53 -0.10 1.61 1.81 -1.26 -0.85 118.95 123.69 3d5c s ARG 40 Ca 0.00 -0.04 -0.13 0.00 -1.72 0.00 0.00 55.73 53.85 3d5c s ARG 40 Cb 0.00 -3.87 0.03 0.00 -0.45 0.00 0.00 34.95 30.66 3d5c s ARG 40 CO 0.00 -0.92 0.34 0.14 -0.68 0.00 0.00 175.30 174.18 3d5c s VAL 41 N 2.96 0.01 0.01 3.52 -7.23 -1.18 -2.10 120.40 116.39 3d5c s VAL 41 Ca 0.27 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 3d5c s VAL 41 Cb -0.14 -0.51 -0.01 0.00 0.56 0.00 0.00 36.38 36.28 3d5c s VAL 41 CO 0.18 -0.06 -0.02 -0.83 -0.31 0.00 0.00 175.10 174.07 3d5c s GLY 42 N -0.16 0.12 -0.07 2.32 0.00 -0.45 0.07 107.32 109.14 3d5c s GLY 42 Ca -0.03 -0.22 0.04 0.00 0.00 0.00 0.00 44.72 44.51 3d5c s GLY 42 CO 0.01 -0.24 -0.20 -2.27 0.00 0.00 0.00 173.10 170.40 3d5c s LEU 43 N -0.50 2.38 -0.02 0.66 0.20 -1.26 -0.36 118.68 119.77 3d5c s LEU 43 Ca -0.05 -0.39 -0.03 0.00 0.69 0.00 0.00 54.13 54.35 3d5c s LEU 43 Cb -0.04 -1.47 0.01 0.00 -0.43 0.00 0.00 46.19 44.26 3d5c s LEU 43 CO -0.00 0.25 0.07 -0.83 -0.29 0.00 0.00 176.35 175.55 3d5c s GLY 44 N -0.19 -0.04 -0.31 7.98 0.00 -0.32 -4.66 107.32 109.78 3d5c s GLY 44 Ca -0.01 0.15 0.01 0.00 0.00 0.00 0.00 44.72 44.87 3d5c s GLY 44 CO 0.03 0.12 0.01 -0.12 0.00 0.00 0.00 173.10 173.14 3d5c s PHE 45 N -0.09 3.44 -0.21 1.90 5.36 -1.26 -1.10 117.98 126.02 3d5c s PHE 45 Ca -0.01 -2.38 -0.11 0.00 -0.96 0.00 0.00 56.93 53.47 3d5c s PHE 45 Cb -0.01 -2.43 -0.05 0.00 -0.34 0.00 0.00 43.02 40.19 3d5c s PHE 45 CO 0.00 -0.89 0.18 0.20 -1.46 0.00 0.00 175.22 173.26 3d5c s GLY 46 N 1.21 2.05 -0.11 13.12 0.00 -0.62 -4.89 107.32 118.08 3d5c s GLY 46 Ca -0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 44.72 44.00 3d5c s GLY 46 CO -0.04 0.31 -0.04 0.54 0.00 0.00 0.00 173.10 173.86 3d5c s LYS 47 N 0.65 3.19 -0.04 2.90 3.01 -1.26 -1.57 119.74 126.62 3d5c s LYS 47 Ca 0.10 -0.51 -0.29 0.00 -1.01 0.00 0.00 55.97 54.26 3d5c s LYS 47 Cb -0.12 -2.77 0.09 0.00 -1.01 0.00 0.00 37.83 34.02 3d5c s LYS 47 CO 0.02 0.49 0.76 0.00 0.51 0.00 0.00 175.35 177.13 3d5c s ALA 48 N -0.33 -1.79 0.00 5.17 0.00 -0.53 -4.89 121.76 119.40 3d5c s ALA 48 Ca 0.05 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3d5c s ALA 48 Cb -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3d5c s ALA 48 CO 0.02 -0.44 0.70 -2.30 0.00 0.00 0.00 175.76 173.74 3d5c n PRO 49 N 0.57 0.55 -3.64 0.00 -0.02 -1.26 -1.54 135.00 129.64 3d5c n PRO 49 Ca -0.16 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.30 3d5c n PRO 49 Cb 0.59 -1.23 -0.07 0.00 -0.02 0.00 0.00 33.50 32.78 3d5c n PRO 49 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3d5c s GLU 50 N 0.58 0.32 0.09 -0.52 2.56 -1.26 -4.79 118.70 115.68 3d5c s GLU 50 Ca 0.00 0.50 -0.31 0.00 0.00 0.00 0.00 54.97 55.16 3d5c s GLU 50 Cb 0.00 0.09 -0.13 0.00 2.00 0.00 0.00 34.13 36.09 3d5c s GLU 50 CO 0.00 -0.06 1.49 0.28 -0.56 0.00 0.00 175.26 176.41 3d5c h VAL 51 N 4.57 0.00 0.00 3.70 2.07 -1.91 0.31 116.25 124.99 3d5c h VAL 51 Ca -0.28 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3d5c h VAL 51 Cb 1.18 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3d5c h VAL 51 CO 0.18 0.00 -0.04 -0.65 0.02 0.00 0.00 177.57 177.09 3d5c h PRO 52 N -0.67 -0.06 -0.89 1.57 0.11 -1.98 -2.10 132.00 127.98 3d5c h PRO 52 Ca -0.01 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.22 3d5c h PRO 52 Cb 0.68 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.72 3d5c h PRO 52 CO -0.25 -0.04 0.52 -0.07 -0.21 0.00 0.00 178.00 177.94 3d5c h LEU 53 N -0.07 0.73 -0.59 2.35 3.38 -1.91 -0.18 115.31 119.04 3d5c h LEU 53 Ca 0.01 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3d5c h LEU 53 Cb 0.08 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3d5c h LEU 53 CO -0.04 0.39 0.34 0.00 0.09 0.00 0.00 178.44 179.23 3d5c h ALA 54 N 1.50 0.76 -0.79 1.53 0.00 0.10 0.18 119.26 122.54 3d5c h ALA 54 Ca 0.44 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.37 3d5c h ALA 54 Cb 0.46 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3d5c h ALA 54 CO -0.27 0.04 0.52 0.28 0.00 0.00 0.00 179.25 179.82 3d5c h VAL 55 N 0.66 1.16 -0.37 0.00 2.07 -0.47 0.35 116.25 119.65 3d5c h VAL 55 Ca 0.25 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3d5c h VAL 55 Cb 0.08 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 3d5c h VAL 55 CO -0.13 0.19 0.24 -0.61 0.02 0.00 0.00 177.57 177.28 3d5c h GLN 56 N 1.03 0.48 -0.38 1.57 -0.00 0.38 0.15 115.11 118.35 3d5c h GLN 56 Ca 0.30 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.91 3d5c h GLN 56 Cb -0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.29 3d5c h GLN 56 CO -0.09 0.32 0.18 0.87 0.00 0.00 0.00 178.83 180.11 3d5c h LYS 57 N 0.49 0.54 -0.84 1.69 1.57 -0.20 -1.64 116.57 118.18 3d5c h LYS 57 Ca 0.14 -0.08 0.17 0.00 -1.87 0.00 0.00 60.65 59.01 3d5c h LYS 57 Cb -0.05 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.10 3d5c h LYS 57 CO -0.03 0.48 0.56 0.00 -0.57 0.00 0.00 179.45 179.88 3d5c h ALA 58 N 1.04 2.11 0.14 3.86 0.00 0.27 -1.12 119.26 125.56 3d5c h ALA 58 Ca 0.13 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3d5c h ALA 58 Cb 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3d5c h ALA 58 CO -0.02 -0.36 -0.19 0.78 0.00 0.00 0.00 179.25 179.47 3d5c h GLY 59 N 0.45 -1.00 0.83 0.00 0.00 0.29 0.25 103.07 103.89 3d5c h GLY 59 Ca 0.43 0.46 0.04 0.00 0.00 0.00 0.00 47.33 48.26 3d5c h GLY 59 CO -0.16 -0.33 0.58 -1.82 0.00 0.00 0.00 176.54 174.80 3d5c h TYR 60 N -0.34 1.08 -0.94 5.60 3.20 -1.38 0.46 116.97 124.65 3d5c h TYR 60 Ca -0.02 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.89 3d5c h TYR 60 Cb 0.30 -0.35 -0.05 0.00 1.54 0.00 0.00 36.73 38.17 3d5c h TYR 60 CO -0.20 0.60 0.62 1.88 -1.64 0.00 0.00 178.16 179.42 3d5c h TYR 61 N 1.10 1.17 0.01 -3.82 0.05 -1.06 0.24 116.97 114.66 3d5c h TYR 61 Ca 0.37 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 59.17 3d5c h TYR 61 Cb 0.06 -0.40 0.00 0.00 1.01 0.00 0.00 36.73 37.40 3d5c h TYR 61 CO -0.02 0.73 -0.01 0.00 -1.05 0.00 0.00 178.16 177.82 3d5c h ALA 62 N 1.42 -0.02 0.00 3.88 0.00 0.27 -3.00 119.26 121.82 3d5c h ALA 62 Ca 0.35 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3d5c h ALA 62 Cb -0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3d5c h ALA 62 CO -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.02 3d5c h ARG 63 N -0.72 0.00 0.00 0.00 3.08 -0.82 -2.94 114.38 112.97 3d5c h ARG 63 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3d5c h ARG 63 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3d5c h ARG 63 CO 0.00 0.00 0.00 -2.13 -1.07 0.00 0.00 179.97 176.77 3d5c n ARG 64 N -2.83 0.00 -0.57 0.04 3.00 0.06 -4.86 116.66 111.50 3d5c n ARG 64 Ca -0.02 0.20 -0.30 0.00 -0.00 0.00 0.00 57.85 57.73 3d5c n ARG 64 Cb 0.09 -0.98 0.21 0.00 0.00 0.00 0.00 32.46 31.78 3d5c n ARG 64 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3d5c n ASN 65 N -1.09 -0.79 0.00 6.15 5.15 -1.11 -5.04 115.26 118.53 3d5c n ASN 65 Ca 0.00 0.11 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 3d5c n ASN 65 Cb 0.00 -1.36 0.00 0.00 -0.53 0.00 0.00 39.78 37.89 3d5c n ASN 65 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 3d5c n MET 66 N -4.57 0.00 -3.67 1.20 0.00 -1.26 -4.36 117.12 104.47 3d5c n MET 66 Ca 0.07 0.00 -0.14 0.00 -0.00 0.00 0.00 57.70 57.64 3d5c n MET 66 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.67 3d5c n MET 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3d5c s VAL 67 N -2.00 -0.00 0.37 1.12 0.11 0.11 -4.91 120.40 115.20 3d5c s VAL 67 Ca 0.00 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.79 3d5c s VAL 67 Cb 0.00 -0.84 -0.09 0.00 -1.53 0.00 0.00 36.38 33.92 3d5c s VAL 67 CO 0.00 0.00 1.11 -1.83 -3.33 0.00 0.00 175.10 171.05 3d5c s GLU 68 N 0.33 4.23 -0.34 1.54 -1.05 -1.25 -3.08 118.70 119.08 3d5c s GLU 68 Ca -0.00 1.72 -0.00 0.00 -0.15 0.00 0.00 54.97 56.54 3d5c s GLU 68 Cb -0.04 -2.75 0.11 0.00 -0.44 0.00 0.00 34.13 31.01 3d5c s GLU 68 CO 0.01 -0.13 0.14 0.08 0.95 0.00 0.00 175.26 176.31 3d5c s VAL 69 N -1.44 0.91 -0.77 1.83 1.01 -0.03 -4.81 120.40 117.10 3d5c s VAL 69 Ca 0.54 -1.67 -0.23 0.00 0.00 0.00 0.00 61.98 60.62 3d5c s VAL 69 Cb -0.28 -1.68 -0.16 0.00 0.00 0.00 0.00 36.38 34.26 3d5c s VAL 69 CO 0.35 -0.75 2.40 -0.81 0.00 0.00 0.00 175.10 176.29 3d5c n PRO 70 N 4.50 0.53 -0.15 2.72 -0.04 -1.26 -4.10 135.00 137.20 3d5c n PRO 70 Ca 0.01 -0.42 -0.04 0.00 -0.04 0.00 0.00 63.50 63.01 3d5c n PRO 70 Cb 0.40 -2.98 0.04 0.00 -0.04 0.00 0.00 33.50 30.92 3d5c n PRO 70 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3d5c n LEU 71 N 15.05 0.00 -2.70 1.53 4.77 -1.26 -3.83 117.00 130.56 3d5c n LEU 71 Ca 0.50 -0.17 -0.05 0.00 -0.03 0.00 0.00 56.01 56.26 3d5c n LEU 71 Cb 0.37 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.37 3d5c n LEU 71 CO 0.72 -1.16 0.42 1.67 -1.33 0.00 0.00 177.39 177.71 3d5c n GLN 72 N -1.97 0.32 -2.68 3.23 -0.06 -0.09 -4.69 117.38 111.44 3d5c n GLN 72 Ca 0.02 -1.12 -0.20 0.00 -2.00 0.00 0.00 57.00 53.70 3d5c n GLN 72 Cb 0.08 -0.58 0.01 0.00 -4.06 0.00 0.00 30.24 25.69 3d5c n GLN 72 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 3d5c n ASN 73 N 1.99 -5.46 0.00 1.69 4.05 -1.26 -2.19 115.26 114.08 3d5c n ASN 73 Ca 0.08 -0.09 0.00 0.00 0.45 0.00 0.00 54.58 55.01 3d5c n ASN 73 Cb 0.66 -4.51 0.00 0.00 1.23 0.00 0.00 39.78 37.16 3d5c n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3d5c n GLY 74 N -1.15 0.45 3.77 8.20 0.00 -1.26 -4.93 105.19 110.26 3d5c n GLY 74 Ca -0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 3d5c n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3d5c s THR 75 N -2.00 2.25 0.37 2.61 -1.32 -0.93 -0.08 115.64 116.53 3d5c s THR 75 Ca 0.00 -1.65 -0.11 0.00 -1.21 0.00 0.00 61.69 58.72 3d5c s THR 75 Cb 0.00 -2.90 -0.07 0.00 -1.51 0.00 0.00 72.50 68.02 3d5c s THR 75 CO 0.00 0.00 0.73 -0.51 -2.21 0.00 0.00 174.62 172.63 3d5c s ILE 76 N -2.61 4.80 0.05 5.08 2.07 -1.26 -0.92 121.20 128.40 3d5c s ILE 76 Ca 0.40 0.62 -0.25 0.00 -1.41 0.00 0.00 60.65 60.01 3d5c s ILE 76 Cb 0.03 -3.70 -0.17 0.00 0.13 0.00 0.00 42.46 38.74 3d5c s ILE 76 CO 0.22 -0.41 1.52 1.55 -1.91 0.00 0.00 174.94 175.91 3d5c h PRO 77 N 1.56 -0.19 0.00 3.50 0.13 -1.84 -3.41 132.00 131.76 3d5c h PRO 77 Ca -0.47 0.01 -0.33 0.00 -0.87 0.00 0.00 66.00 64.34 3d5c h PRO 77 Cb 1.18 0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 3d5c h PRO 77 CO 0.65 0.02 -0.22 -2.39 -0.23 0.00 0.00 178.00 175.82 3d5c n HIS 78 N -5.10 -1.36 -3.98 1.56 1.44 -1.26 -4.85 115.22 101.67 3d5c n HIS 78 Ca -0.09 -2.54 -0.29 0.00 -2.01 0.00 0.00 57.72 52.80 3d5c n HIS 78 Cb 0.17 0.52 -0.04 0.00 0.12 0.00 0.00 29.99 30.75 3d5c n HIS 78 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 3d5c s GLU 79 N -2.94 3.23 -0.12 -1.40 4.04 -1.26 -4.38 118.70 115.86 3d5c s GLU 79 Ca 0.32 -0.61 -0.11 0.00 0.04 0.00 0.00 54.97 54.61 3d5c s GLU 79 Cb -0.00 -2.89 0.03 0.00 0.02 0.00 0.00 34.13 31.29 3d5c s GLU 79 CO 0.23 0.55 0.32 0.96 -1.84 0.00 0.00 175.26 175.49 3d5c s ILE 80 N -1.59 -0.00 -1.00 1.83 -4.36 -1.11 -4.99 121.20 109.97 3d5c s ILE 80 Ca 0.33 0.01 -0.12 0.00 -0.26 0.00 0.00 60.65 60.61 3d5c s ILE 80 Cb -0.12 -0.46 0.24 0.00 1.25 0.00 0.00 42.46 43.38 3d5c s ILE 80 CO 0.26 0.00 1.00 -1.61 0.24 0.00 0.00 174.94 174.84 3d5c s GLU 81 N 0.26 3.94 -0.50 0.37 2.02 -1.26 -3.03 118.70 120.50 3d5c s GLU 81 Ca -0.01 -2.82 -0.19 0.00 0.02 0.00 0.00 54.97 51.98 3d5c s GLU 81 Cb -0.03 -4.56 0.06 0.00 0.10 0.00 0.00 34.13 29.70 3d5c s GLU 81 CO -0.00 -1.32 0.61 0.08 0.02 0.00 0.00 175.26 174.64 3d5c s VAL 82 N -0.34 4.90 -0.32 2.63 1.01 -0.83 -4.99 120.40 122.46 3d5c s VAL 82 Ca 0.27 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 3d5c s VAL 82 Cb -0.09 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 3d5c s VAL 82 CO -0.08 -0.78 0.44 -1.61 0.00 0.00 0.00 175.10 173.07 3d5c s GLU 83 N 2.56 3.77 -1.07 2.72 2.02 -1.26 -2.48 118.70 124.96 3d5c s GLU 83 Ca 0.15 -0.11 -0.04 0.00 0.02 0.00 0.00 54.97 54.99 3d5c s GLU 83 Cb -0.19 -3.75 0.31 0.00 0.10 0.00 0.00 34.13 30.60 3d5c s GLU 83 CO 0.12 -0.48 1.54 0.34 0.02 0.00 0.00 175.26 176.79 3d5c n PHE 84 N 5.52 2.29 0.00 1.61 7.35 -0.74 -4.96 117.46 128.54 3d5c n PHE 84 Ca -0.07 -2.56 0.00 0.00 -0.76 0.00 0.00 57.45 54.06 3d5c n PHE 84 Cb 0.50 -1.24 0.00 0.00 0.35 0.00 0.00 39.48 39.08 3d5c n PHE 84 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3d5c n GLY 85 N 1.10 0.22 0.21 7.13 0.00 -1.26 -3.05 105.19 109.55 3d5c n GLY 85 Ca 0.29 0.62 -0.08 0.00 0.00 0.00 0.00 46.02 46.85 3d5c n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5c h ALA 86 N -0.84 -0.83 -2.32 4.61 0.00 -1.98 -3.46 119.26 114.43 3d5c h ALA 86 Ca 0.00 -0.11 -0.47 0.00 0.00 0.00 0.00 54.91 54.32 3d5c h ALA 86 Cb 0.00 0.20 0.07 0.00 0.00 0.00 0.00 17.79 18.06 3d5c h ALA 86 CO 0.00 -0.79 0.23 -1.12 0.00 0.00 0.00 179.25 177.57 3d5c s SER 87 N -3.49 5.34 -0.17 0.00 0.01 -1.17 -2.54 113.70 111.68 3d5c s SER 87 Ca -0.08 0.71 -0.04 0.00 1.31 0.00 0.00 55.95 57.85 3d5c s SER 87 Cb 0.01 -1.57 0.08 0.00 0.21 0.00 0.00 66.02 64.75 3d5c s SER 87 CO 0.23 -1.26 0.24 -0.75 0.41 0.00 0.00 173.24 172.10 3d5c s LYS 88 N -5.12 0.17 0.04 12.44 2.20 -0.23 -1.79 119.74 127.45 3d5c s LYS 88 Ca 0.56 0.42 0.07 0.00 -0.36 0.00 0.00 55.97 56.67 3d5c s LYS 88 Cb -0.11 -0.72 -0.02 0.00 -1.51 0.00 0.00 37.83 35.47 3d5c s LYS 88 CO 0.46 -0.51 -0.21 -1.50 -0.36 0.00 0.00 175.35 173.23 3d5c s ILE 89 N 2.37 1.69 -0.04 5.43 2.07 -1.03 0.16 121.20 131.85 3d5c s ILE 89 Ca 0.05 -1.18 0.02 0.00 -1.41 0.00 0.00 60.65 58.13 3d5c s ILE 89 Cb -0.14 -1.46 0.01 0.00 0.13 0.00 0.00 42.46 41.00 3d5c s ILE 89 CO -0.11 0.24 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.40 3d5c s VAL 90 N -0.77 0.67 0.22 4.00 1.01 -1.15 -1.96 120.40 122.42 3d5c s VAL 90 Ca 0.08 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 61.88 3d5c s VAL 90 Cb -0.09 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 3d5c s VAL 90 CO 0.02 0.24 0.06 -0.76 0.00 0.00 0.00 175.10 174.65 3d5c s LEU 91 N 0.54 3.45 -0.18 3.92 1.02 -1.17 -2.73 118.68 123.53 3d5c s LEU 91 Ca -0.08 -0.42 -0.10 0.00 0.02 0.00 0.00 54.13 53.56 3d5c s LEU 91 Cb -0.12 -2.02 0.06 0.00 0.02 0.00 0.00 46.19 44.13 3d5c s LEU 91 CO 0.01 0.02 0.43 -0.75 0.02 0.00 0.00 176.35 176.08 3d5c s LYS 92 N -3.44 0.41 0.20 1.70 2.20 0.91 -2.75 119.74 118.98 3d5c s LYS 92 Ca 0.30 0.82 -0.32 0.00 -0.36 0.00 0.00 55.97 56.41 3d5c s LYS 92 Cb -0.08 -0.01 -0.12 0.00 -1.51 0.00 0.00 37.83 36.11 3d5c s LYS 92 CO 0.21 -0.16 1.72 -0.35 -0.36 0.00 0.00 175.35 176.41 3d5c n PRO 93 N 4.29 2.75 -4.39 4.03 -0.04 -1.26 -0.41 135.00 139.96 3d5c n PRO 93 Ca -0.23 0.99 -0.25 0.00 -0.04 0.00 0.00 63.50 63.97 3d5c n PRO 93 Cb 0.55 -2.84 -0.09 0.00 -0.04 0.00 0.00 33.50 31.09 3d5c n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d5c s ALA 94 N 1.18 3.16 0.17 0.55 0.00 -1.05 -4.87 121.76 120.89 3d5c s ALA 94 Ca 0.75 -2.02 -0.30 0.00 0.00 0.00 0.00 51.96 50.40 3d5c s ALA 94 Cb -0.51 -0.27 -0.07 0.00 0.00 0.00 0.00 23.12 22.27 3d5c s ALA 94 CO 0.33 0.05 1.00 0.00 0.00 0.00 0.00 175.76 177.14 3d5c s ALA 95 N -2.55 3.31 0.15 0.00 0.00 -1.26 -4.84 121.76 116.56 3d5c s ALA 95 Ca 0.34 0.66 -0.32 0.00 0.00 0.00 0.00 51.96 52.65 3d5c s ALA 95 Cb 0.01 -3.28 -0.17 0.00 0.00 0.00 0.00 23.12 19.68 3d5c s ALA 95 CO 0.19 -0.02 0.84 -2.30 0.00 0.00 0.00 175.76 174.47 3d5c n PRO 96 N 2.29 0.38 -0.10 0.00 -0.02 -1.26 -2.16 135.00 134.13 3d5c n PRO 96 Ca 0.01 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3d5c n PRO 96 Cb 0.48 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 3d5c n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d5c n GLY 97 N 1.81 0.66 0.00 -1.23 0.00 -1.26 -5.01 105.19 100.16 3d5c n GLY 97 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3d5c n GLY 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3d5c n THR 98 N -2.03 0.00 0.00 2.61 -1.04 -0.92 -5.11 114.28 107.80 3d5c n THR 98 Ca 0.00 0.39 0.00 0.00 -2.04 0.00 0.00 64.05 62.40 3d5c n THR 98 Cb 0.00 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.54 3d5c n THR 98 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3d5c n GLY 99 N 1.84 4.03 2.97 3.41 0.00 -0.66 -4.94 105.19 111.84 3d5c n GLY 99 Ca 0.00 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 3d5c n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3d5c n VAL 100 N -1.55 3.34 -2.74 1.61 0.31 -0.79 -2.82 118.33 115.68 3d5c n VAL 100 Ca 0.00 -3.06 -0.42 0.00 -0.01 0.00 0.00 64.34 60.85 3d5c n VAL 100 Cb 0.00 -2.51 -0.03 0.00 -0.91 0.00 0.00 33.84 30.38 3d5c n VAL 100 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3d5c s ILE 101 N 3.84 4.12 0.30 2.52 -4.36 -1.15 -4.95 121.20 121.53 3d5c s ILE 101 Ca 0.50 -0.23 -0.08 0.00 -0.26 0.00 0.00 60.65 60.58 3d5c s ILE 101 Cb 0.12 -4.80 0.00 0.00 1.25 0.00 0.00 42.46 39.03 3d5c s ILE 101 CO -0.03 -1.63 0.49 0.00 0.24 0.00 0.00 174.94 174.01 3d5c s ALA 102 N 4.58 0.20 0.97 2.27 0.00 -1.26 -2.80 121.76 125.72 3d5c s ALA 102 Ca 0.29 -1.17 -0.11 0.00 0.00 0.00 0.00 51.96 50.97 3d5c s ALA 102 Cb -0.12 1.08 0.18 0.00 0.00 0.00 0.00 23.12 24.26 3d5c s ALA 102 CO 0.09 -0.83 1.12 0.20 0.00 0.00 0.00 175.76 176.33 3d5c s GLY 103 N -3.12 1.65 0.22 0.00 0.00 -1.26 -4.65 107.32 100.17 3d5c s GLY 103 Ca 0.26 0.41 -0.10 0.00 0.00 0.00 0.00 44.72 45.29 3d5c s GLY 103 CO 0.14 0.90 1.65 0.00 0.00 0.00 0.00 173.10 175.79 3d5c h ALA 104 N -2.05 0.64 0.37 3.20 0.00 -2.00 0.61 119.26 120.02 3d5c h ALA 104 Ca -0.48 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3d5c h ALA 104 Cb 1.28 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3d5c h ALA 104 CO 0.44 -0.40 -0.18 0.28 0.00 0.00 0.00 179.25 179.39 3d5c h VAL 105 N 0.10 0.19 -0.02 0.00 2.07 -1.96 -3.21 116.25 113.42 3d5c h VAL 105 Ca 0.34 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 67.18 3d5c h VAL 105 Cb 0.57 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3d5c h VAL 105 CO -0.57 0.05 0.10 1.55 0.02 0.00 0.00 177.57 178.71 3d5c h PRO 106 N -1.08 0.00 0.34 1.57 0.13 -1.89 -2.69 132.00 128.38 3d5c h PRO 106 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 3d5c h PRO 106 Cb 0.46 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 3d5c h PRO 106 CO 0.08 0.00 -0.29 -0.09 -0.23 0.00 0.00 178.00 177.47 3d5c h ARG 107 N 0.00 -0.59 0.00 0.86 2.43 -0.87 -1.66 114.38 114.54 3d5c h ARG 107 Ca 0.01 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3d5c h ARG 107 Cb 0.20 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3d5c h ARG 107 CO -0.00 -0.39 0.00 0.00 -1.51 0.00 0.00 179.97 178.07 3d5c n ALA 108 N -2.54 1.27 0.09 2.80 0.00 -1.03 -0.67 120.51 120.43 3d5c n ALA 108 Ca -0.07 0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 3d5c n ALA 108 Cb 0.27 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 3d5c n ALA 108 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3d5c h ILE 109 N 0.00 0.00 0.00 0.00 1.08 -1.29 -3.18 117.51 114.13 3d5c h ILE 109 Ca 0.00 -0.61 -0.08 0.00 -0.39 0.00 0.00 64.86 63.78 3d5c h ILE 109 Cb 0.12 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.86 3d5c h ILE 109 CO 0.00 0.00 -0.39 -0.07 -0.69 0.00 0.00 178.15 177.00 3d5c h LEU 110 N -0.92 0.00 -0.21 1.44 3.38 -1.08 -2.38 115.31 115.54 3d5c h LEU 110 Ca -0.03 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3d5c h LEU 110 Cb 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3d5c h LEU 110 CO 0.05 0.39 0.04 -0.08 0.09 0.00 0.00 178.44 178.93 3d5c h GLU 111 N 0.00 0.11 0.00 1.13 4.81 -1.03 0.89 114.58 120.49 3d5c h GLU 111 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3d5c h GLU 111 Cb 0.91 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3d5c h GLU 111 CO 0.05 0.08 0.00 1.28 -0.73 0.00 0.00 179.01 179.69 3d5c n LEU 112 N -5.09 0.00 -0.61 1.64 4.77 -1.15 -2.71 117.00 113.85 3d5c n LEU 112 Ca -0.02 0.25 0.10 0.00 -0.03 0.00 0.00 56.01 56.30 3d5c n LEU 112 Cb 0.10 -0.25 0.32 0.00 -2.33 0.00 0.00 43.42 41.26 3d5c n LEU 112 CO 0.28 -0.00 0.74 0.00 -1.33 0.00 0.00 177.39 177.08 3d5c n ALA 113 N -1.25 2.50 -1.69 -1.18 0.00 0.11 -1.04 120.51 117.97 3d5c n ALA 113 Ca 0.15 -0.57 -0.08 0.00 0.00 0.00 0.00 53.44 52.94 3d5c n ALA 113 Cb 0.22 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 3d5c n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d5c n GLY 114 N 1.14 0.52 3.87 0.00 0.00 -1.00 -2.96 105.19 106.77 3d5c n GLY 114 Ca 0.16 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 3d5c n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d5c s VAL 115 N -2.35 5.13 0.00 1.61 1.01 -0.07 -4.54 120.40 121.19 3d5c s VAL 115 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.33 3d5c s VAL 115 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3d5c s VAL 115 CO 0.00 0.25 0.00 0.35 0.00 0.00 0.00 175.10 175.70 3d5c n THR 116 N 0.78 0.00 -3.67 3.92 -2.24 0.88 -4.48 114.28 109.47 3d5c n THR 116 Ca -0.07 -0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.40 3d5c n THR 116 Cb 0.52 0.25 -0.14 0.00 -2.10 0.00 0.00 70.33 68.87 3d5c n THR 116 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3d5c s ASP 117 N -0.23 3.67 -0.09 3.42 1.01 -1.22 -1.66 116.67 121.57 3d5c s ASP 117 Ca 0.00 -2.11 -0.11 0.00 0.71 0.00 0.00 52.55 51.03 3d5c s ASP 117 Cb 0.00 -0.82 0.03 0.00 1.01 0.00 0.00 42.92 43.13 3d5c s ASP 117 CO 0.00 -0.34 0.30 -0.51 0.21 0.00 0.00 175.17 174.83 3d5c s ILE 118 N 1.04 0.02 -0.25 0.77 1.10 -1.13 -2.53 121.20 120.22 3d5c s ILE 118 Ca 0.14 -0.13 -0.02 0.00 -0.51 0.00 0.00 60.65 60.13 3d5c s ILE 118 Cb -0.21 -0.47 0.02 0.00 0.15 0.00 0.00 42.46 41.95 3d5c s ILE 118 CO -0.11 -0.07 -0.05 -0.76 -2.11 0.00 0.00 174.94 171.84 3d5c s LEU 119 N -0.23 3.20 0.21 8.50 1.43 0.45 -2.94 118.68 129.30 3d5c s LEU 119 Ca -0.04 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.27 3d5c s LEU 119 Cb -0.03 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 3d5c s LEU 119 CO 0.01 -0.12 0.01 0.42 0.23 0.00 0.00 176.35 176.90 3d5c s THR 120 N 1.35 0.82 -0.26 5.49 -4.23 -1.12 -0.06 115.64 117.62 3d5c s THR 120 Ca 0.01 -2.01 -0.25 0.00 -1.18 0.00 0.00 61.69 58.26 3d5c s THR 120 Cb -0.16 -2.28 0.09 0.00 1.34 0.00 0.00 72.50 71.49 3d5c s THR 120 CO -0.04 -0.35 0.85 -0.75 -0.54 0.00 0.00 174.62 173.78 3d5c s LYS 121 N -3.91 0.71 -0.04 3.99 2.20 -1.11 -4.72 119.74 116.87 3d5c s LYS 121 Ca 0.27 0.80 -0.17 0.00 -0.36 0.00 0.00 55.97 56.51 3d5c s LYS 121 Cb 0.06 0.35 -0.05 0.00 -1.51 0.00 0.00 37.83 36.68 3d5c s LYS 121 CO 0.07 -0.09 0.47 -1.21 -0.36 0.00 0.00 175.35 174.23 3d5c s GLU 122 N 0.23 4.18 0.29 4.03 2.02 -1.26 -2.95 118.70 125.24 3d5c s GLU 122 Ca 0.01 0.50 0.05 0.00 0.02 0.00 0.00 54.97 55.55 3d5c s GLU 122 Cb -0.05 -3.33 -0.06 0.00 0.10 0.00 0.00 34.13 30.80 3d5c s GLU 122 CO -0.01 0.43 -0.01 -0.51 0.02 0.00 0.00 175.26 175.17 3d5c s LEU 123 N -0.28 2.37 0.00 1.80 1.43 0.43 -4.97 118.68 119.46 3d5c s LEU 123 Ca 0.26 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 3d5c s LEU 123 Cb -0.17 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.54 3d5c s LEU 123 CO 0.13 -0.45 0.00 0.61 0.23 0.00 0.00 176.35 176.87 3d5c n GLY 124 N -0.61 3.95 3.80 -3.19 0.00 -1.26 -1.07 105.19 106.81 3d5c n GLY 124 Ca -0.04 0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3d5c n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d5c s SER 125 N -4.00 5.18 -0.04 1.61 0.15 -1.05 -4.93 113.70 110.63 3d5c s SER 125 Ca 0.00 1.71 0.05 0.00 0.70 0.00 0.00 55.95 58.41 3d5c s SER 125 Cb 0.00 -2.51 0.08 0.00 -1.71 0.00 0.00 66.02 61.88 3d5c s SER 125 CO 0.00 -1.58 0.98 0.54 1.20 0.00 0.00 173.24 174.38 3d5c n ARG 126 N -3.07 0.53 -1.63 5.44 1.74 -1.26 -4.23 116.66 114.18 3d5c n ARG 126 Ca 0.08 -1.40 -0.45 0.00 -0.77 0.00 0.00 57.85 55.32 3d5c n ARG 126 Cb 0.53 -0.80 -0.04 0.00 -1.02 0.00 0.00 32.46 31.13 3d5c n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3d5c n ASN 127 N -0.42 3.55 -0.34 0.55 2.85 -1.26 -4.84 115.26 115.35 3d5c n ASN 127 Ca 0.04 0.69 -0.03 0.00 -0.11 0.00 0.00 54.58 55.17 3d5c n ASN 127 Cb 0.63 -1.47 0.02 0.00 1.24 0.00 0.00 39.78 40.20 3d5c n ASN 127 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3d5c h PRO 128 N 11.59 -0.05 0.12 1.20 0.11 -1.99 -0.04 132.00 142.95 3d5c h PRO 128 Ca -0.45 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.67 3d5c h PRO 128 Cb 1.26 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 3d5c h PRO 128 CO 0.96 -0.03 -0.48 0.82 -0.21 0.00 0.00 178.00 179.05 3d5c h ILE 129 N -0.05 0.00 -0.10 4.15 2.04 -2.00 -1.39 117.51 120.15 3d5c h ILE 129 Ca 0.30 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.20 3d5c h ILE 129 Cb 0.57 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 3d5c h ILE 129 CO -0.90 0.00 -0.17 0.78 0.00 0.00 0.00 178.15 177.86 3d5c h ASN 130 N -0.69 -0.52 -0.82 1.72 2.35 -1.69 -1.82 115.58 114.12 3d5c h ASN 130 Ca -0.01 0.09 0.20 0.00 -0.55 0.00 0.00 56.30 56.03 3d5c h ASN 130 Cb 0.69 0.24 -0.13 0.00 0.05 0.00 0.00 38.32 39.17 3d5c h ASN 130 CO -0.26 -0.22 0.17 0.40 -1.65 0.00 0.00 177.43 175.87 3d5c h ILE 131 N -0.23 0.37 0.49 2.81 1.08 -0.83 -0.01 117.51 121.19 3d5c h ILE 131 Ca 0.09 -0.07 -0.02 0.00 -0.39 0.00 0.00 64.86 64.47 3d5c h ILE 131 Cb 0.35 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.24 3d5c h ILE 131 CO -0.24 0.04 -0.39 0.00 -0.69 0.00 0.00 178.15 176.87 3d5c h ALA 132 N 1.72 -1.12 -0.95 1.87 0.00 -0.43 -1.35 119.26 119.00 3d5c h ALA 132 Ca 0.49 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 55.38 3d5c h ALA 132 Cb 0.92 0.58 -0.16 0.00 0.00 0.00 0.00 17.79 19.13 3d5c h ALA 132 CO -0.62 -1.12 -0.34 0.66 0.00 0.00 0.00 179.25 177.82 3d5c n TYR 133 N -4.82 0.09 0.05 0.00 4.02 -0.49 -0.88 117.16 115.13 3d5c n TYR 133 Ca -0.10 1.17 -0.13 0.00 -0.01 0.00 0.00 57.90 58.82 3d5c n TYR 133 Cb 0.38 -0.89 -0.07 0.00 -0.02 0.00 0.00 39.34 38.73 3d5c n TYR 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3d5c h ALA 134 N 1.43 -0.66 -0.85 -0.72 0.00 -0.56 -1.52 119.26 116.38 3d5c h ALA 134 Ca 0.36 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.39 3d5c h ALA 134 Cb 0.59 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 3d5c h ALA 134 CO -0.95 -0.95 0.56 1.15 0.00 0.00 0.00 179.25 179.06 3d5c h THR 135 N -0.56 0.78 0.46 0.00 2.02 0.12 0.29 112.91 116.02 3d5c h THR 135 Ca 0.05 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 3d5c h THR 135 Cb 0.65 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3d5c h THR 135 CO -0.33 0.10 -0.22 0.24 0.37 0.00 0.00 175.52 175.67 3d5c h MET 136 N 0.53 -0.60 -0.57 6.66 2.07 -0.67 -2.41 114.93 119.94 3d5c h MET 136 Ca 0.43 0.04 0.14 0.00 -2.07 0.00 0.00 59.70 58.24 3d5c h MET 136 Cb 0.89 0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 30.72 3d5c h MET 136 CO -0.17 -0.40 0.40 1.49 1.07 0.00 0.00 176.91 179.29 3d5c h GLU 137 N -1.09 0.14 0.53 1.72 4.22 -0.96 -0.23 114.58 118.91 3d5c h GLU 137 Ca -0.06 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.35 3d5c h GLU 137 Cb 0.48 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3d5c h GLU 137 CO 0.10 0.09 -0.34 0.00 -2.18 0.00 0.00 179.01 176.68 3d5c h ALA 138 N 1.72 -0.84 -0.10 2.92 0.00 -0.40 -0.49 119.26 122.07 3d5c h ALA 138 Ca 0.27 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3d5c h ALA 138 Cb 0.88 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3d5c h ALA 138 CO -0.04 -0.99 0.11 -0.07 0.00 0.00 0.00 179.25 178.26 3d5c h LEU 139 N -0.83 0.00 -0.28 0.00 3.38 -0.60 0.07 115.31 117.05 3d5c h LEU 139 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3d5c h LEU 139 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3d5c h LEU 139 CO 0.05 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.44 3d5c n ARG 140 N -3.80 0.21 0.00 1.13 0.63 -0.25 -2.50 116.66 112.08 3d5c n ARG 140 Ca -0.01 0.29 0.10 0.00 -0.92 0.00 0.00 57.85 57.31 3d5c n ARG 140 Cb 0.21 -1.80 -0.11 0.00 0.45 0.00 0.00 32.46 31.21 3d5c n ARG 140 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3d5c n GLN 141 N -2.18 0.26 -1.60 -0.14 6.02 -0.00 -4.99 117.38 114.74 3d5c n GLN 141 Ca 0.04 -0.07 -0.41 0.00 -0.01 0.00 0.00 57.00 56.55 3d5c n GLN 141 Cb 0.34 -1.47 0.01 0.00 1.02 0.00 0.00 30.24 30.13 3d5c n GLN 141 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3d5c n LEU 142 N -1.38 2.45 -3.68 1.08 4.77 -1.04 -5.00 117.00 114.20 3d5c n LEU 142 Ca 0.04 1.03 -0.21 0.00 -0.03 0.00 0.00 56.01 56.84 3d5c n LEU 142 Cb 0.33 -1.34 -0.18 0.00 -2.33 0.00 0.00 43.42 39.90 3d5c n LEU 142 CO 0.41 -1.56 -0.34 -0.13 -1.33 0.00 0.00 177.39 174.43 3d5c s ARG 143 N -1.99 0.01 0.88 3.23 1.81 -1.26 -5.02 118.95 116.61 3d5c s ARG 143 Ca 0.63 0.32 -0.12 0.00 -1.72 0.00 0.00 55.73 54.84 3d5c s ARG 143 Cb -0.56 -0.65 0.12 0.00 -0.45 0.00 0.00 34.95 33.40 3d5c s ARG 143 CO 0.57 -0.35 1.11 0.95 -0.68 0.00 0.00 175.30 176.89 3d5c s THR 144 N 2.14 2.56 0.22 0.02 -4.23 -1.26 -4.81 115.64 110.28 3d5c s THR 144 Ca 0.05 0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 60.66 3d5c s THR 144 Cb -0.12 -2.84 0.16 0.00 1.34 0.00 0.00 72.50 71.03 3d5c s THR 144 CO -0.04 -0.24 1.79 0.50 -0.54 0.00 0.00 174.62 176.10 3d5c h LYS 145 N -1.40 0.63 0.35 3.99 1.63 -2.00 -0.93 116.57 118.84 3d5c h LYS 145 Ca -0.49 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.25 3d5c h LYS 145 Cb 1.30 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 3d5c h LYS 145 CO 0.59 0.42 -0.18 0.00 -3.45 0.00 0.00 179.45 176.82 3d5c h ALA 146 N 1.39 -0.49 -0.74 5.00 0.00 -1.99 -2.72 119.26 119.71 3d5c h ALA 146 Ca 0.32 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.29 3d5c h ALA 146 Cb 0.27 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 3d5c h ALA 146 CO -0.22 -0.78 0.23 -0.44 0.00 0.00 0.00 179.25 178.04 3d5c h ASP 147 N -0.49 0.11 0.22 0.00 5.19 -1.80 0.53 116.42 120.19 3d5c h ASP 147 Ca -0.04 0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 3d5c h ASP 147 Cb 0.38 0.16 -0.00 0.00 0.18 0.00 0.00 39.33 40.05 3d5c h ASP 147 CO 0.07 0.01 -0.14 0.58 -3.12 0.00 0.00 179.24 176.64 3d5c h VAL 148 N 0.33 0.00 0.00 -1.35 2.07 -0.97 -2.46 116.25 113.87 3d5c h VAL 148 Ca 0.42 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.94 3d5c h VAL 148 Cb 0.70 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3d5c h VAL 148 CO -0.47 0.00 -0.00 1.05 0.02 0.00 0.00 177.57 178.16 3d5c h GLU 149 N -0.33 0.00 0.60 1.57 4.11 -1.35 -0.43 114.58 118.75 3d5c h GLU 149 Ca -0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 3d5c h GLU 149 Cb 0.27 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.52 3d5c h GLU 149 CO 0.03 0.00 -0.29 -0.09 0.07 0.00 0.00 179.01 178.74 3d5c h ARG 150 N 0.00 -0.77 -0.19 1.06 2.43 -0.59 0.29 114.38 116.61 3d5c h ARG 150 Ca -0.00 0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 3d5c h ARG 150 Cb 0.05 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3d5c h ARG 150 CO 0.00 -0.47 -0.36 -0.07 -1.51 0.00 0.00 179.97 177.56 3d5c h LEU 151 N -0.95 0.43 -0.76 3.80 3.38 -0.96 -2.43 115.31 117.82 3d5c h LEU 151 Ca -0.08 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3d5c h LEU 151 Cb 0.66 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3d5c h LEU 151 CO 0.13 0.76 0.00 -0.09 0.09 0.00 0.00 178.44 179.33 3d5c h ARG 152 N 0.35 0.00 0.00 1.13 2.43 -1.04 -3.33 114.38 113.93 3d5c h ARG 152 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3d5c h ARG 152 Cb 0.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3d5c h ARG 152 CO 0.06 0.00 0.00 1.17 -1.51 0.00 0.00 179.97 179.69 3d5c n LYS 153 N -2.75 0.00 -3.15 0.20 3.00 0.10 -4.91 118.16 110.65 3d5c n LYS 153 Ca 0.02 0.25 -0.22 0.00 -0.00 0.00 0.00 58.31 58.37 3d5c n LYS 153 Cb 0.35 -0.96 0.01 0.00 0.00 0.00 0.00 35.03 34.42 3d5c n LYS 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3d5c n GLY 154 N 0.98 -0.50 0.14 3.14 0.00 -1.20 -5.10 105.19 102.66 3d5c n GLY 154 Ca 0.00 0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.26 3d5c n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11