#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7s n THR 2 N 0.00 -0.45 0.00 1.12 -1.04 -1.26 -5.14 114.28 107.50 3d7s n THR 2 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3d7s n THR 2 Cb 0.00 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.54 3d7s n THR 2 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3d7s n HIS 3 N -0.14 0.00 -3.15 -1.42 -0.00 -1.26 -5.13 115.22 104.12 3d7s n HIS 3 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.76 3d7s n HIS 3 Cb 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.01 3d7s n HIS 3 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 3d7s s ASP 4 N -0.40 -1.17 0.00 0.41 3.84 -1.26 -5.16 116.67 112.93 3d7s s ASP 4 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 52.55 52.65 3d7s s ASP 4 Cb 0.00 1.73 0.00 0.00 -1.38 0.00 0.00 42.92 43.27 3d7s s ASP 4 CO 0.00 -0.21 0.00 -0.46 -0.00 0.00 0.00 175.17 174.50 3d7s n ASN 5 N 5.25 0.00 -4.32 2.11 0.23 -1.26 -5.20 115.26 112.07 3d7s n ASN 5 Ca 0.07 0.00 -0.17 0.00 -0.53 0.00 0.00 54.58 53.95 3d7s n ASN 5 Cb 0.56 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.16 3d7s n ASN 5 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3d7s s LYS 6 N -2.00 1.26 0.29 -3.83 1.02 -1.26 -5.15 119.74 110.06 3d7s s LYS 6 Ca 0.00 -1.56 -0.19 0.00 0.02 0.00 0.00 55.97 54.24 3d7s s LYS 6 Cb 0.00 -0.95 0.06 0.00 -0.52 0.00 0.00 37.83 36.42 3d7s s LYS 6 CO 0.00 0.13 0.87 -1.17 -0.92 0.00 0.00 175.35 174.26 3d7s s LEU 7 N -3.28 -0.05 0.00 3.17 0.20 -1.26 -5.08 118.68 112.38 3d7s s LEU 7 Ca 0.21 -0.86 0.00 0.00 0.69 0.00 0.00 54.13 54.18 3d7s s LEU 7 Cb 0.01 2.54 0.00 0.00 -0.43 0.00 0.00 46.19 48.31 3d7s s LEU 7 CO 0.05 -1.36 0.00 0.00 -0.29 0.00 0.00 176.35 174.75 3d7s n GLN 8 N -0.56 2.08 -4.34 1.98 0.00 -1.26 -5.14 117.38 110.14 3d7s n GLN 8 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 57.00 56.64 3d7s n GLN 8 Cb 0.60 -0.47 -0.04 0.00 0.00 0.00 0.00 30.24 30.33 3d7s n GLN 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 3d7s s VAL 9 N -0.63 1.42 0.00 -0.39 -7.23 -1.26 -5.15 120.40 107.16 3d7s s VAL 9 Ca 0.00 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 3d7s s VAL 9 Cb 0.00 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.76 3d7s s VAL 9 CO 0.00 0.00 0.00 1.21 -0.31 0.00 0.00 175.10 176.00 3d7s n GLU 10 N -1.49 0.00 -2.42 4.82 2.13 -1.26 -5.11 120.64 117.31 3d7s n GLU 10 Ca -0.11 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.29 3d7s n GLU 10 Cb 0.66 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.34 3d7s n GLU 10 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3d7s s ALA 11 N -1.00 2.91 0.46 4.31 0.00 -1.26 -5.00 121.76 122.17 3d7s s ALA 11 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.41 3d7s s ALA 11 Cb 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 19.08 3d7s s ALA 11 CO 0.00 -2.73 0.00 -0.89 0.00 0.00 0.00 175.76 172.14 3d7s n ILE 12 N 6.89 0.00 -0.18 0.00 5.41 -1.26 -5.10 119.36 125.12 3d7s n ILE 12 Ca 0.13 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.88 3d7s n ILE 12 Cb 0.49 -1.46 0.00 0.00 -0.71 0.00 0.00 39.64 37.96 3d7s n ILE 12 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3d7s n LYS 13 N -0.32 1.92 0.00 0.38 5.02 -1.26 -4.97 118.16 118.93 3d7s n LYS 13 Ca 0.00 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3d7s n LYS 13 Cb 0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.76 3d7s n LYS 13 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3d7s n ARG 14 N 0.67 -0.21 0.00 1.97 1.74 -1.26 -4.97 116.66 114.60 3d7s n ARG 14 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3d7s n ARG 14 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3d7s n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d7s n GLY 15 N 2.11 -0.41 3.78 -0.13 0.00 -0.93 -3.94 105.19 105.67 3d7s n GLY 15 Ca 0.00 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 3d7s n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d7s s THR 16 N -2.33 3.58 0.13 2.61 2.01 -0.73 -1.67 115.64 119.23 3d7s s THR 16 Ca 0.00 1.29 0.01 0.00 0.31 0.00 0.00 61.69 63.30 3d7s s THR 16 Cb 0.00 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 3d7s s THR 16 CO 0.00 0.08 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.30 3d7s s VAL 17 N -1.53 0.60 -0.04 3.82 1.01 -1.26 -3.11 120.40 119.89 3d7s s VAL 17 Ca 0.55 -1.95 0.06 0.00 0.00 0.00 0.00 61.98 60.65 3d7s s VAL 17 Cb -0.25 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 3d7s s VAL 17 CO 0.32 -0.66 -0.23 -0.63 0.00 0.00 0.00 175.10 173.90 3d7s s ILE 18 N -3.70 2.28 -0.11 2.22 1.01 -1.10 -3.90 121.20 117.90 3d7s s ILE 18 Ca 0.18 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.85 3d7s s ILE 18 Cb 0.06 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.71 3d7s s ILE 18 CO -0.00 0.58 -0.19 -0.62 0.00 0.00 0.00 174.94 174.70 3d7s s ASP 19 N -0.45 2.70 0.09 3.58 2.15 0.15 -2.93 116.67 121.97 3d7s s ASP 19 Ca 0.05 -0.49 0.00 0.00 0.43 0.00 0.00 52.55 52.54 3d7s s ASP 19 Cb -0.12 -1.23 0.00 0.00 -0.30 0.00 0.00 42.92 41.27 3d7s s ASP 19 CO 0.01 0.07 0.00 1.57 -0.17 0.00 0.00 175.17 176.65 3d7s n HIS 20 N 3.94 -2.17 -3.70 -5.34 -0.00 -1.17 -0.59 115.22 106.19 3d7s n HIS 20 Ca -0.20 1.30 -0.11 0.00 0.46 0.00 0.00 57.72 59.17 3d7s n HIS 20 Cb 0.52 -2.73 -0.10 0.00 -0.12 0.00 0.00 29.99 27.56 3d7s n HIS 20 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3d7s s ILE 21 N -0.26 -0.01 0.96 3.57 -1.09 -0.54 -4.58 121.20 119.25 3d7s s ILE 21 Ca 0.00 0.05 -0.16 0.00 -2.23 0.00 0.00 60.65 58.31 3d7s s ILE 21 Cb 0.00 -0.65 0.25 0.00 -1.58 0.00 0.00 42.46 40.48 3d7s s ILE 21 CO 0.00 0.02 0.60 -2.65 -1.23 0.00 0.00 174.94 171.68 3d7s n PRO 22 N 3.75 -3.75 -3.08 2.79 -0.02 -1.26 0.36 135.00 133.79 3d7s n PRO 22 Ca -0.19 -1.00 -0.37 0.00 -2.02 0.00 0.00 63.50 59.92 3d7s n PRO 22 Cb 0.56 -1.24 -0.06 0.00 -0.02 0.00 0.00 33.50 32.74 3d7s n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d7s s ALA 23 N -2.20 3.43 0.00 3.55 0.00 -1.26 -3.61 121.76 121.67 3d7s s ALA 23 Ca 0.45 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.61 3d7s s ALA 23 Cb -0.07 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.20 3d7s s ALA 23 CO 0.37 0.32 0.00 1.04 0.00 0.00 0.00 175.76 177.50 3d7s n GLN 24 N 0.99 0.00 0.01 0.00 1.13 -1.26 -4.67 117.38 113.58 3d7s n GLN 24 Ca -0.04 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.13 3d7s n GLN 24 Cb 0.50 -3.58 -0.09 0.00 0.11 0.00 0.00 30.24 27.19 3d7s n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 3d7s n ILE 25 N -2.00 0.08 0.00 5.09 -0.00 -1.24 -4.49 119.36 116.80 3d7s n ILE 25 Ca 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 62.75 62.46 3d7s n ILE 25 Cb 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 39.64 39.96 3d7s n ILE 25 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3d7s n GLY 26 N 1.36 -2.89 0.22 7.39 0.00 -1.25 -2.94 105.19 107.08 3d7s n GLY 26 Ca 0.00 0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.22 3d7s n GLY 26 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3d7s n PHE 27 N -0.88 0.59 0.00 1.61 7.35 -1.26 -1.92 117.46 122.94 3d7s n PHE 27 Ca 0.00 0.78 0.00 0.00 -0.76 0.00 0.00 57.45 57.47 3d7s n PHE 27 Cb 0.00 -1.10 0.00 0.00 0.35 0.00 0.00 39.48 38.73 3d7s n PHE 27 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 3d7s n LYS 28 N -4.68 0.00 -0.55 -4.13 4.81 -1.15 -0.78 118.16 111.68 3d7s n LYS 28 Ca 0.20 0.74 0.42 0.00 -0.87 0.00 0.00 58.31 58.80 3d7s n LYS 28 Cb 0.67 -1.25 0.65 0.00 0.02 0.00 0.00 35.03 35.12 3d7s n LYS 28 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3d7s n LEU 29 N -1.98 0.00 0.00 3.14 4.32 -0.81 -1.49 117.00 120.19 3d7s n LEU 29 Ca 0.00 0.79 0.00 0.00 -0.02 0.00 0.00 56.01 56.78 3d7s n LEU 29 Cb 0.00 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.41 3d7s n LEU 29 CO 0.00 -0.79 0.28 0.18 -1.22 0.00 0.00 177.39 175.84 3d7s n LEU 30 N -3.51 0.26 -0.25 2.23 4.32 0.04 -2.58 117.00 117.51 3d7s n LEU 30 Ca 0.35 0.70 0.03 0.00 -0.02 0.00 0.00 56.01 57.06 3d7s n LEU 30 Cb 1.61 -0.39 0.15 0.00 -1.62 0.00 0.00 43.42 43.18 3d7s n LEU 30 CO 0.35 -0.39 1.05 0.77 -1.22 0.00 0.00 177.39 177.96 3d7s h SER 31 N 0.00 0.42 -0.75 -1.43 4.64 -1.18 -0.38 113.55 114.86 3d7s h SER 31 Ca 0.00 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3d7s h SER 31 Cb 0.00 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 3d7s h SER 31 CO 0.00 0.22 0.46 -0.07 -0.87 0.00 0.00 176.83 176.57 3d7s h LEU 32 N 0.56 0.89 -3.08 5.97 -0.00 -1.40 -2.98 115.31 115.28 3d7s h LEU 32 Ca 0.37 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 58.19 3d7s h LEU 32 Cb 0.45 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 3d7s h LEU 32 CO -0.31 0.69 0.00 0.49 -0.00 0.00 0.00 178.44 179.31 3d7s n PHE 33 N -4.51 1.02 -3.42 1.13 3.01 -1.07 -4.90 117.46 108.72 3d7s n PHE 33 Ca 0.07 -0.64 -0.16 0.00 1.01 0.00 0.00 57.45 57.73 3d7s n PHE 33 Cb 0.05 -0.19 0.02 0.00 -0.01 0.00 0.00 39.48 39.35 3d7s n PHE 33 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3d7s n LYS 34 N 0.55 -1.43 -1.34 -1.08 5.02 -0.65 -4.89 118.16 114.35 3d7s n LYS 34 Ca 0.20 0.99 -0.31 0.00 -2.02 0.00 0.00 58.31 57.18 3d7s n LYS 34 Cb 0.74 -4.47 0.05 0.00 -0.02 0.00 0.00 35.03 31.33 3d7s n LYS 34 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3d7s n LEU 35 N -2.74 7.26 0.00 -0.35 4.77 -0.25 -3.84 117.00 121.86 3d7s n LEU 35 Ca -0.11 -4.12 0.00 0.00 -0.03 0.00 0.00 56.01 51.75 3d7s n LEU 35 Cb 0.58 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 3d7s n LEU 35 CO 0.60 1.48 0.00 0.35 -1.33 0.00 0.00 177.39 178.49 3d7s n THR 36 N -0.37 0.00 -0.42 -5.08 -2.24 -1.26 -4.94 114.28 99.96 3d7s n THR 36 Ca 0.52 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.27 3d7s n THR 36 Cb 0.56 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.75 3d7s n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d7s n GLU 37 N 0.00 0.85 0.00 -0.78 4.71 -1.25 -4.72 120.64 119.45 3d7s n GLU 37 Ca 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 57.16 56.93 3d7s n GLU 37 Cb 0.26 -1.41 0.00 0.00 -1.01 0.00 0.00 31.44 29.27 3d7s n GLU 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3d7s n THR 38 N 2.05 0.00 -1.46 2.62 -2.24 -1.26 -5.09 114.28 108.89 3d7s n THR 38 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 3d7s n THR 38 Cb 0.41 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3d7s n THR 38 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3d7s n ASP 39 N 0.00 0.00 -4.96 3.42 9.92 -1.26 -5.13 116.55 118.54 3d7s n ASP 39 Ca 0.00 -1.37 -0.22 0.00 -0.53 0.00 0.00 54.79 52.67 3d7s n ASP 39 Cb 0.00 -0.07 0.04 0.00 -0.64 0.00 0.00 41.12 40.45 3d7s n ASP 39 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 3d7s s GLN 40 N 0.00 2.52 -0.42 -1.24 1.11 -1.26 -4.98 119.66 115.39 3d7s s GLN 40 Ca 0.00 -0.62 -0.27 0.00 0.01 0.00 0.00 55.36 54.47 3d7s s GLN 40 Cb 0.00 -2.42 -0.03 0.00 -1.01 0.00 0.00 33.01 29.55 3d7s s GLN 40 CO 0.00 -0.79 1.95 -0.98 0.01 0.00 0.00 175.29 175.48 3d7s s ARG 41 N -4.86 2.93 -0.32 2.91 1.70 -1.26 -4.81 118.95 115.24 3d7s s ARG 41 Ca 0.57 1.26 0.07 0.00 -0.47 0.00 0.00 55.73 57.16 3d7s s ARG 41 Cb -0.10 -4.33 0.49 0.00 -0.57 0.00 0.00 34.95 30.44 3d7s s ARG 41 CO 0.40 -2.34 1.44 -0.89 -1.08 0.00 0.00 175.30 172.84 3d7s n ILE 42 N 7.48 2.63 -1.91 4.99 5.41 -1.26 -3.05 119.36 133.64 3d7s n ILE 42 Ca 0.25 -3.12 -0.41 0.00 1.00 0.00 0.00 62.75 60.47 3d7s n ILE 42 Cb 0.49 -0.55 -0.01 0.00 -0.71 0.00 0.00 39.64 38.86 3d7s n ILE 42 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3d7s s THR 43 N -3.67 2.28 0.00 1.39 -4.23 -1.13 -4.81 115.64 105.48 3d7s s THR 43 Ca 0.47 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.27 3d7s s THR 43 Cb 0.42 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 71.07 3d7s s THR 43 CO -0.00 0.07 0.00 2.30 -0.54 0.00 0.00 174.62 176.45 3d7s n ILE 44 N 0.59 0.00 0.00 2.99 -0.00 -1.26 -2.83 119.36 118.85 3d7s n ILE 44 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.76 3d7s n ILE 44 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.04 3d7s n ILE 44 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3d7s n GLY 45 N 0.00 1.94 3.64 3.28 0.00 -1.25 -5.05 105.19 107.75 3d7s n GLY 45 Ca 0.00 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 3d7s n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d7s s LEU 46 N 0.00 2.98 -1.23 0.99 1.02 -1.26 -3.70 118.68 117.48 3d7s s LEU 46 Ca 0.00 -1.03 -0.08 0.00 0.02 0.00 0.00 54.13 53.04 3d7s s LEU 46 Cb 0.00 -1.32 -0.01 0.00 0.02 0.00 0.00 46.19 44.87 3d7s s LEU 46 CO 0.00 -0.28 0.72 0.59 0.02 0.00 0.00 176.35 177.40 3d7s n ASN 47 N -0.98 -3.09 -4.02 2.29 4.13 -1.23 -5.03 115.26 107.33 3d7s n ASN 47 Ca -0.04 -0.90 -0.23 0.00 1.68 0.00 0.00 54.58 55.10 3d7s n ASN 47 Cb 0.63 -3.83 -0.16 0.00 -1.54 0.00 0.00 39.78 34.88 3d7s n ASN 47 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 3d7s s LEU 48 N -6.49 1.72 0.30 3.41 0.05 -1.09 -4.92 118.68 111.66 3d7s s LEU 48 Ca 0.22 -0.24 -0.29 0.00 0.05 0.00 0.00 54.13 53.86 3d7s s LEU 48 Cb -0.06 -0.70 -0.10 0.00 -2.05 0.00 0.00 46.19 43.28 3d7s s LEU 48 CO 0.83 0.06 1.30 -2.84 -0.55 0.00 0.00 176.35 175.15 3d7s s PRO 49 N 0.38 4.38 0.00 1.48 0.02 -1.26 -3.97 135.00 136.03 3d7s s PRO 49 Ca -0.08 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.11 3d7s s PRO 49 Cb -0.12 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3d7s s PRO 49 CO 0.02 -0.18 0.24 0.45 -0.33 0.00 0.00 177.00 177.20 3d7s n SER 50 N 1.20 0.00 0.00 2.53 2.88 -1.26 -5.06 113.62 113.91 3d7s n SER 50 Ca 0.01 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.55 3d7s n SER 50 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 3d7s n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d7s n GLY 51 N 0.00 1.48 0.00 0.46 0.00 -1.26 -5.12 105.19 100.75 3d7s n GLY 51 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3d7s n GLY 51 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3d7s n GLU 52 N 0.00 -2.99 0.10 1.61 0.00 -1.26 -5.04 120.64 113.05 3d7s n GLU 52 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.29 3d7s n GLU 52 Cb 0.00 0.00 0.43 0.00 0.00 0.00 0.00 31.44 31.87 3d7s n GLU 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3d7s n MET 53 N -0.01 0.24 0.17 5.31 0.00 -1.26 -4.85 117.12 116.72 3d7s n MET 53 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 57.70 57.91 3d7s n MET 53 Cb 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 33.22 31.44 3d7s n MET 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3d7s n GLY 54 N 1.25 -1.79 3.48 3.17 0.00 -1.26 -5.17 105.19 104.87 3d7s n GLY 54 Ca 0.05 0.42 -0.23 0.00 0.00 0.00 0.00 46.02 46.26 3d7s n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d7s s ARG 55 N -1.78 1.74 -0.28 1.61 3.00 -1.26 -4.78 118.95 117.19 3d7s s ARG 55 Ca 0.00 -1.99 -0.26 0.00 0.00 0.00 0.00 55.73 53.48 3d7s s ARG 55 Cb 0.00 -0.85 0.17 0.00 0.00 0.00 0.00 34.95 34.27 3d7s s ARG 55 CO 0.00 -0.25 1.30 0.21 0.00 0.00 0.00 175.30 176.56 3d7s s LYS 56 N -3.85 0.21 0.08 3.54 2.20 -1.25 -4.84 119.74 115.82 3d7s s LYS 56 Ca 0.33 0.20 0.10 0.00 -0.36 0.00 0.00 55.97 56.23 3d7s s LYS 56 Cb 0.07 0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.46 3d7s s LYS 56 CO 0.15 -0.04 -0.26 -0.51 -0.36 0.00 0.00 175.35 174.33 3d7s s ASP 57 N -0.15 3.24 0.10 1.43 -0.00 0.16 -2.68 116.67 118.76 3d7s s ASP 57 Ca 0.06 -0.65 0.03 0.00 -0.00 0.00 0.00 52.55 52.00 3d7s s ASP 57 Cb -0.04 -0.27 -0.04 0.00 -0.00 0.00 0.00 42.92 42.57 3d7s s ASP 57 CO -0.11 0.23 -0.10 -0.76 -0.00 0.00 0.00 175.17 174.43 3d7s s LEU 58 N -1.55 2.42 0.22 1.23 1.43 -1.24 -1.47 118.68 119.72 3d7s s LEU 58 Ca 0.13 -0.84 0.08 0.00 -1.03 0.00 0.00 54.13 52.46 3d7s s LEU 58 Cb -0.10 -0.27 -0.05 0.00 0.03 0.00 0.00 46.19 45.80 3d7s s LEU 58 CO 0.04 -0.29 -0.14 -0.63 0.23 0.00 0.00 176.35 175.55 3d7s s ILE 59 N -2.62 1.79 -0.25 -0.59 -1.09 -1.15 -3.91 121.20 113.38 3d7s s ILE 59 Ca 0.07 -2.22 -0.03 0.00 -2.23 0.00 0.00 60.65 56.24 3d7s s ILE 59 Cb -0.02 -2.09 0.14 0.00 -1.58 0.00 0.00 42.46 38.92 3d7s s ILE 59 CO -0.00 -0.56 0.43 -0.54 -1.23 0.00 0.00 174.94 173.03 3d7s s LYS 60 N -3.64 0.40 0.34 2.79 1.02 -1.13 -2.73 119.74 116.79 3d7s s LYS 60 Ca 0.24 0.66 0.05 0.00 0.02 0.00 0.00 55.97 56.94 3d7s s LYS 60 Cb -0.01 -0.23 -0.07 0.00 -0.52 0.00 0.00 37.83 37.01 3d7s s LYS 60 CO 0.08 -0.62 0.02 -1.50 -0.92 0.00 0.00 175.35 172.40 3d7s s ILE 61 N 2.62 1.54 0.05 2.17 2.07 -1.18 -2.82 121.20 125.64 3d7s s ILE 61 Ca 0.14 -2.03 -0.07 0.00 -1.41 0.00 0.00 60.65 57.28 3d7s s ILE 61 Cb -0.15 -2.78 -0.01 0.00 0.13 0.00 0.00 42.46 39.65 3d7s s ILE 61 CO -0.17 -0.07 0.13 -0.70 -1.91 0.00 0.00 174.94 172.22 3d7s s GLU 62 N -3.80 0.67 0.00 3.50 2.12 -1.17 -3.67 118.70 116.34 3d7s s GLU 62 Ca 0.35 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.88 3d7s s GLU 62 Cb 0.08 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.73 3d7s s GLU 62 CO 0.16 -0.18 0.00 0.09 -0.54 0.00 0.00 175.26 174.78 3d7s n ASN 63 N 0.54 0.00 -4.04 -1.70 3.02 -1.26 -4.41 115.26 107.40 3d7s n ASN 63 Ca -0.18 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.08 3d7s n ASN 63 Cb 0.60 -0.38 -0.17 0.00 -0.61 0.00 0.00 39.78 39.21 3d7s n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3d7s s THR 64 N -2.77 1.50 -0.18 3.41 2.01 -1.26 -5.03 115.64 113.33 3d7s s THR 64 Ca 0.00 -0.63 -0.02 0.00 0.31 0.00 0.00 61.69 61.35 3d7s s THR 64 Cb 0.00 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 3d7s s THR 64 CO 0.00 0.44 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.92 3d7s s PHE 65 N 1.12 2.89 0.73 4.92 2.99 -1.26 -1.77 117.98 127.59 3d7s s PHE 65 Ca -0.04 -0.88 -0.16 0.00 0.00 0.00 0.00 56.93 55.86 3d7s s PHE 65 Cb -0.14 -1.98 0.03 0.00 0.00 0.00 0.00 43.02 40.93 3d7s s PHE 65 CO -0.04 -0.43 1.20 -0.11 -0.00 0.00 0.00 175.22 175.84 3d7s n LEU 66 N 4.25 4.87 -4.66 -0.37 -0.00 -1.26 -4.94 117.00 114.90 3d7s n LEU 66 Ca -0.18 0.69 -0.43 0.00 -0.00 0.00 0.00 56.01 56.09 3d7s n LEU 66 Cb 0.51 -1.51 -0.02 0.00 -0.00 0.00 0.00 43.42 42.40 3d7s n LEU 66 CO 0.29 -1.49 1.02 -0.55 -0.00 0.00 0.00 177.39 176.66 3d7s s SER 67 N -1.76 6.99 0.00 1.96 0.15 -1.26 -4.83 113.70 114.96 3d7s s SER 67 Ca 0.77 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.93 3d7s s SER 67 Cb -0.33 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.44 3d7s s SER 67 CO 0.47 -0.75 0.03 -0.62 1.20 0.00 0.00 173.24 173.57 3d7s n GLU 68 N 6.54 0.00 0.00 5.44 -0.58 -1.26 0.22 120.64 131.00 3d7s n GLU 68 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 3d7s n GLU 68 Cb 0.45 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 3d7s n GLU 68 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3d7s n ASP 69 N -0.24 0.00 -0.40 1.62 5.68 -1.26 -4.74 116.55 117.21 3d7s n ASP 69 Ca 0.00 0.00 0.32 0.00 -0.50 0.00 0.00 54.79 54.61 3d7s n ASP 69 Cb 0.00 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 40.58 3d7s n ASP 69 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 3d7s h GLN 70 N 0.00 0.18 -0.88 0.11 4.15 0.23 2.26 115.11 121.16 3d7s h GLN 70 Ca 0.00 -0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.52 3d7s h GLN 70 Cb 0.00 -0.04 -0.13 0.00 0.21 0.00 0.00 27.48 27.52 3d7s h GLN 70 CO 0.00 0.12 -0.42 0.28 -1.93 0.00 0.00 178.83 176.88 3d7s n VAL 71 N -4.72 -0.52 -0.00 2.39 0.31 -0.52 -0.84 118.33 114.44 3d7s n VAL 71 Ca 0.33 2.09 -0.00 0.00 -0.01 0.00 0.00 64.34 66.76 3d7s n VAL 71 Cb 1.24 -2.69 -0.00 0.00 -0.91 0.00 0.00 33.84 31.48 3d7s n VAL 71 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3d7s h ASP 72 N 0.00 -0.03 0.00 4.52 3.45 0.36 -0.60 116.42 124.12 3d7s h ASP 72 Ca 0.24 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.70 3d7s h ASP 72 Cb 0.46 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.24 3d7s h ASP 72 CO -0.86 -0.01 0.27 0.00 -1.57 0.00 0.00 179.24 177.08 3d7s n GLN 73 N -2.65 0.00 -0.07 3.56 1.13 -0.02 0.21 117.38 119.54 3d7s n GLN 73 Ca -0.00 0.04 -0.08 0.00 -1.94 0.00 0.00 57.00 55.01 3d7s n GLN 73 Cb 0.01 -1.77 -0.10 0.00 0.11 0.00 0.00 30.24 28.48 3d7s n GLN 73 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3d7s n LEU 74 N -0.86 0.71 0.00 1.08 4.77 -0.28 -4.93 117.00 117.48 3d7s n LEU 74 Ca 0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3d7s n LEU 74 Cb 0.27 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3d7s n LEU 74 CO 0.00 0.45 0.00 0.00 -1.33 0.00 0.00 177.39 176.51 3d7s n ALA 75 N -2.63 0.00 0.00 -1.18 0.00 0.58 -3.91 120.51 113.37 3d7s n ALA 75 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3d7s n ALA 75 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.37 3d7s n ALA 75 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3d7s n LEU 76 N 0.00 0.00 0.05 0.00 0.00 -1.26 -2.79 117.00 112.99 3d7s n LEU 76 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.90 3d7s n LEU 76 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.37 3d7s n LEU 76 CO 0.00 0.00 0.82 1.88 0.00 0.00 0.00 177.39 180.09 3d7s h TYR 77 N 0.00 -0.18 -3.81 1.96 0.05 -1.98 -3.29 116.97 109.71 3d7s h TYR 77 Ca 0.00 0.01 -0.79 0.00 0.05 0.00 0.00 58.73 58.00 3d7s h TYR 77 Cb 0.00 0.08 -0.26 0.00 1.01 0.00 0.00 36.73 37.56 3d7s h TYR 77 CO 0.00 -0.11 0.11 0.00 -1.05 0.00 0.00 178.16 177.11 3d7s s ALA 78 N -6.17 4.09 0.00 3.88 0.00 -1.12 -4.79 121.76 117.65 3d7s s ALA 78 Ca -0.14 -3.33 0.00 0.00 0.00 0.00 0.00 51.96 48.49 3d7s s ALA 78 Cb 0.08 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3d7s s ALA 78 CO 0.66 -2.29 0.42 -2.30 0.00 0.00 0.00 175.76 172.26 3d7s n PRO 79 N 3.98 0.00 -5.08 0.00 -0.02 -1.24 -4.20 135.00 128.43 3d7s n PRO 79 Ca 0.14 0.42 -0.32 0.00 -2.02 0.00 0.00 63.50 61.73 3d7s n PRO 79 Cb 0.47 -0.64 -0.15 0.00 -0.02 0.00 0.00 33.50 33.15 3d7s n PRO 79 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3d7s s GLN 80 N -2.88 2.80 0.00 -0.52 -1.52 -1.26 -4.75 119.66 111.54 3d7s s GLN 80 Ca 0.00 -0.81 0.00 0.00 -1.95 0.00 0.00 55.36 52.60 3d7s s GLN 80 Cb 0.00 -2.33 0.00 0.00 -0.22 0.00 0.00 33.01 30.46 3d7s s GLN 80 CO 0.00 0.36 0.00 0.00 -0.25 0.00 0.00 175.29 175.40 3d7s n ALA 81 N 3.04 0.00 -2.96 6.09 0.00 -1.26 -4.68 120.51 120.74 3d7s n ALA 81 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 3d7s n ALA 81 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 3d7s n ALA 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3d7s s THR 82 N -2.61 0.08 0.00 0.00 2.01 0.24 -4.25 115.64 111.10 3d7s s THR 82 Ca 0.00 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.33 3d7s s THR 82 Cb 0.00 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.40 3d7s s THR 82 CO 0.00 -0.37 0.00 0.52 -0.69 0.00 0.00 174.62 174.08 3d7s n VAL 83 N 0.09 0.00 -1.78 3.82 0.31 -1.22 0.32 118.33 119.87 3d7s n VAL 83 Ca -0.17 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.15 3d7s n VAL 83 Cb 0.62 -0.72 0.01 0.00 -0.91 0.00 0.00 33.84 32.83 3d7s n VAL 83 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3d7s n ASN 84 N -0.75 -2.88 -4.55 4.52 2.85 -0.21 -3.87 115.26 110.37 3d7s n ASN 84 Ca 0.00 -0.06 -0.42 0.00 -0.11 0.00 0.00 54.58 53.98 3d7s n ASN 84 Cb 0.00 -1.52 0.00 0.00 1.24 0.00 0.00 39.78 39.51 3d7s n ASN 84 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3d7s n ARG 85 N -1.45 1.06 -3.75 1.20 3.00 -0.84 -4.05 116.66 111.83 3d7s n ARG 85 Ca -0.01 0.38 -0.33 0.00 -0.01 0.00 0.00 57.85 57.89 3d7s n ARG 85 Cb 0.51 -1.79 -0.09 0.00 0.00 0.00 0.00 32.46 31.09 3d7s n ARG 85 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3d7s s ILE 86 N -1.27 3.73 -0.25 0.55 1.01 -0.67 -2.62 121.20 121.68 3d7s s ILE 86 Ca 0.62 -4.06 -0.25 0.00 0.00 0.00 0.00 60.65 56.96 3d7s s ILE 86 Cb -0.62 -3.36 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 3d7s s ILE 86 CO 0.58 -1.05 0.87 -0.62 0.00 0.00 0.00 174.94 174.72 3d7s s ASP 87 N -0.72 6.88 -0.06 3.58 3.68 -1.25 -2.18 116.67 126.59 3d7s s ASP 87 Ca 0.26 1.08 -0.04 0.00 2.13 0.00 0.00 52.55 55.98 3d7s s ASP 87 Cb -0.06 -2.46 0.02 0.00 -1.45 0.00 0.00 42.92 38.97 3d7s s ASP 87 CO -0.14 -0.56 0.09 0.59 0.13 0.00 0.00 175.17 175.28 3d7s n ASN 88 N 6.10 -4.26 0.00 -0.34 3.02 -1.26 -4.16 115.26 114.36 3d7s n ASN 88 Ca 0.07 1.23 0.00 0.00 -0.03 0.00 0.00 54.58 55.85 3d7s n ASN 88 Cb 0.47 -3.33 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 3d7s n ASN 88 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d7s n TYR 89 N 2.09 0.00 -4.03 3.10 0.18 -1.26 -4.83 117.16 112.42 3d7s n TYR 89 Ca -0.15 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.53 3d7s n TYR 89 Cb 0.23 -0.15 -0.05 0.00 -0.38 0.00 0.00 39.34 38.99 3d7s n TYR 89 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 3d7s s GLU 90 N 0.00 1.57 0.26 -3.48 2.56 -1.26 -4.88 118.70 113.47 3d7s s GLU 90 Ca 0.00 -1.35 -0.25 0.00 0.00 0.00 0.00 54.97 53.36 3d7s s GLU 90 Cb 0.00 0.45 -0.16 0.00 2.00 0.00 0.00 34.13 36.42 3d7s s GLU 90 CO 0.00 -0.64 0.38 0.28 -0.56 0.00 0.00 175.26 174.71 3d7s n VAL 91 N -0.40 1.54 -1.56 3.70 0.31 -1.26 -3.94 118.33 116.73 3d7s n VAL 91 Ca -0.01 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 3d7s n VAL 91 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 3d7s n VAL 91 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3d7s n VAL 92 N -0.32 0.00 -2.74 2.52 3.14 -1.08 -4.86 118.33 114.99 3d7s n VAL 92 Ca 0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.54 3d7s n VAL 92 Cb 0.29 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.09 3d7s n VAL 92 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3d7s s GLY 93 N 0.00 -1.64 -0.25 7.55 0.00 -1.17 -4.82 107.32 106.99 3d7s s GLY 93 Ca 0.00 1.10 -0.29 0.00 0.00 0.00 0.00 44.72 45.53 3d7s s GLY 93 CO 0.00 4.31 1.05 0.54 0.00 0.00 0.00 173.10 179.00 3d7s s LYS 94 N 1.71 4.21 0.29 2.90 1.02 -1.26 -1.04 119.74 127.56 3d7s s LYS 94 Ca 0.17 1.30 0.08 0.00 0.02 0.00 0.00 55.97 57.54 3d7s s LYS 94 Cb 0.06 -3.66 -0.06 0.00 -0.52 0.00 0.00 37.83 33.64 3d7s s LYS 94 CO -0.14 -0.70 -0.10 -1.12 -0.92 0.00 0.00 175.35 172.38 3d7s s SER 95 N 1.32 3.13 0.02 2.83 0.01 -1.26 -4.90 113.70 114.84 3d7s s SER 95 Ca 0.45 -1.14 -0.02 0.00 1.31 0.00 0.00 55.95 56.54 3d7s s SER 95 Cb -0.14 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.84 3d7s s SER 95 CO 0.08 -0.22 0.01 -0.13 0.41 0.00 0.00 173.24 173.39 3d7s s ARG 96 N -3.65 0.37 -0.70 12.44 1.81 -1.26 -3.43 118.95 124.54 3d7s s ARG 96 Ca 0.29 -0.61 -0.26 0.00 -1.72 0.00 0.00 55.73 53.43 3d7s s ARG 96 Cb 0.01 0.14 -0.06 0.00 -0.45 0.00 0.00 34.95 34.60 3d7s s ARG 96 CO 0.13 -0.07 2.07 -1.25 -0.68 0.00 0.00 175.30 175.50 3d7s s PRO 97 N -1.64 2.35 0.05 3.54 0.04 -1.26 -4.90 135.00 133.18 3d7s s PRO 97 Ca -0.14 0.48 0.06 0.00 0.04 0.00 0.00 61.00 61.44 3d7s s PRO 97 Cb -0.08 -4.68 -0.04 0.00 0.04 0.00 0.00 34.50 29.74 3d7s s PRO 97 CO -0.01 -3.28 -0.13 0.45 0.04 0.00 0.00 177.00 174.07 3d7s s SER 98 N 9.28 4.19 0.18 6.66 0.15 -1.26 -4.88 113.70 128.02 3d7s s SER 98 Ca 0.78 -0.35 -0.31 0.00 0.70 0.00 0.00 55.95 56.77 3d7s s SER 98 Cb -0.12 -0.79 -0.09 0.00 -1.71 0.00 0.00 66.02 63.31 3d7s s SER 98 CO 0.14 0.24 1.45 -0.76 1.20 0.00 0.00 173.24 175.50 3d7s s LEU 99 N -1.68 4.38 0.66 3.45 1.43 -1.26 -4.44 118.68 121.22 3d7s s LEU 99 Ca 0.17 2.53 -0.10 0.00 -1.03 0.00 0.00 54.13 55.70 3d7s s LEU 99 Cb -0.11 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.51 3d7s s LEU 99 CO 0.08 -0.70 1.04 -2.84 0.23 0.00 0.00 176.35 174.16 3d7s s PRO 100 N 0.50 3.08 0.12 1.29 0.02 -1.26 -4.97 135.00 133.78 3d7s s PRO 100 Ca 0.64 0.47 -0.13 0.00 0.02 0.00 0.00 61.00 61.99 3d7s s PRO 100 Cb -0.40 -2.08 -0.04 0.00 0.02 0.00 0.00 34.50 32.00 3d7s s PRO 100 CO 0.36 -0.84 1.50 0.93 -0.33 0.00 0.00 177.00 178.61 3d7s h GLU 101 N -0.48 0.80 -4.91 5.54 4.39 -1.95 -3.42 114.58 114.55 3d7s h GLU 101 Ca -0.45 -0.34 -0.43 0.00 0.34 0.00 0.00 59.36 58.48 3d7s h GLU 101 Cb 1.24 -0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 29.72 3d7s h GLU 101 CO 0.63 0.97 -0.56 1.03 -1.16 0.00 0.00 179.01 179.92 3d7s s ARG 102 N -4.64 1.63 -0.21 2.33 0.52 -1.26 -1.96 118.95 115.35 3d7s s ARG 102 Ca -0.12 -1.93 -0.04 0.00 -0.52 0.00 0.00 55.73 53.12 3d7s s ARG 102 Cb 0.10 -0.18 0.11 0.00 0.52 0.00 0.00 34.95 35.50 3d7s s ARG 102 CO 0.83 -0.44 0.30 0.42 0.02 0.00 0.00 175.30 176.43 3d7s s ILE 103 N -3.55 -0.46 0.36 1.52 -1.09 -1.26 -4.73 121.20 111.98 3d7s s ILE 103 Ca 0.35 -0.06 0.07 0.00 -2.23 0.00 0.00 60.65 58.78 3d7s s ILE 103 Cb 0.05 -0.72 -0.01 0.00 -1.58 0.00 0.00 42.46 40.20 3d7s s ILE 103 CO 0.17 -0.14 0.42 -1.81 -1.23 0.00 0.00 174.94 172.35 3d7s s ASP 104 N 2.44 5.62 0.00 3.58 1.01 -1.26 -3.82 116.67 124.23 3d7s s ASP 104 Ca 0.09 -0.38 0.00 0.00 0.71 0.00 0.00 52.55 52.97 3d7s s ASP 104 Cb -0.15 -1.00 0.00 0.00 1.01 0.00 0.00 42.92 42.78 3d7s s ASP 104 CO -0.13 -0.48 0.00 0.59 0.21 0.00 0.00 175.17 175.36 3d7s n ASN 105 N -1.58 -0.24 -0.01 0.27 4.13 -0.44 -4.64 115.26 112.75 3d7s n ASN 105 Ca 0.01 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.33 3d7s n ASN 105 Cb 0.59 -1.61 -0.11 0.00 -1.54 0.00 0.00 39.78 37.12 3d7s n ASN 105 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 3d7s n VAL 106 N -0.89 0.04 -3.85 2.41 0.24 -1.26 -4.86 118.33 110.16 3d7s n VAL 106 Ca 0.00 -0.33 -0.11 0.00 -2.04 0.00 0.00 64.34 61.86 3d7s n VAL 106 Cb 0.02 0.14 -0.01 0.00 -1.47 0.00 0.00 33.84 32.52 3d7s n VAL 106 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3d7s n LEU 107 N -2.01 0.00 -3.45 1.34 4.77 -1.26 -5.13 117.00 111.25 3d7s n LEU 107 Ca -0.03 -1.18 -0.20 0.00 -0.03 0.00 0.00 56.01 54.56 3d7s n LEU 107 Cb 0.39 0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.40 3d7s n LEU 107 CO 0.29 -0.32 -0.21 0.68 -1.33 0.00 0.00 177.39 176.50 3d7s s VAL 108 N -1.28 -0.31 -0.65 4.08 -7.23 -1.26 -4.76 120.40 108.98 3d7s s VAL 108 Ca 0.09 -0.45 -0.34 0.00 -1.81 0.00 0.00 61.98 59.47 3d7s s VAL 108 Cb -0.01 -0.90 -0.16 0.00 0.56 0.00 0.00 36.38 35.87 3d7s s VAL 108 CO 0.05 -0.45 2.41 0.00 -0.31 0.00 0.00 175.10 176.80 3d7s n PRO 110 N 8.31 0.22 -3.58 0.00 -0.04 -1.26 -4.65 135.00 134.01 3d7s n PRO 110 Ca 0.53 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.58 3d7s n PRO 110 Cb 0.15 -1.27 -0.11 0.00 -0.04 0.00 0.00 33.50 32.23 3d7s n PRO 110 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3d7s s ASN 111 N 0.26 5.80 0.36 3.54 3.84 -1.26 -4.95 114.94 122.53 3d7s s ASN 111 Ca 0.00 -0.80 0.10 0.00 0.21 0.00 0.00 52.86 52.36 3d7s s ASN 111 Cb 0.00 -2.06 0.54 0.00 -0.55 0.00 0.00 41.25 39.18 3d7s s ASN 111 CO 0.00 -0.34 1.17 0.77 -2.79 0.00 0.00 177.10 175.91 3d7s h SER 112 N 8.46 0.00 0.00 -4.21 4.64 -2.00 -2.81 113.55 117.63 3d7s h SER 112 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3d7s h SER 112 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3d7s h SER 112 CO 0.66 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.21 3d7s n ASN 113 N -2.03 0.00 -1.39 4.97 4.13 -1.26 -4.89 115.26 114.78 3d7s n ASN 113 Ca -0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.25 3d7s n ASN 113 Cb 0.47 -0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.48 3d7s n ASN 113 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3d7s n ILE 115 N -0.54 0.00 -1.74 0.00 0.13 -1.26 -4.59 119.36 111.36 3d7s n ILE 115 Ca 0.00 0.00 -0.24 0.00 -1.10 0.00 0.00 62.75 61.41 3d7s n ILE 115 Cb 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 39.64 38.75 3d7s n ILE 115 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 3d7s s SER 116 N 0.00 4.45 0.08 9.51 1.04 -1.26 -4.10 113.70 123.42 3d7s s SER 116 Ca 0.00 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.51 3d7s s SER 116 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 3d7s s SER 116 CO 0.00 -3.26 0.00 1.41 0.98 0.00 0.00 173.24 172.37 3d7s n HIS 117 N 16.38 -2.08 1.67 5.02 8.25 -1.26 -4.83 115.22 138.37 3d7s n HIS 117 Ca 0.41 0.25 0.15 0.00 -0.26 0.00 0.00 57.72 58.26 3d7s n HIS 117 Cb 0.47 0.97 0.68 0.00 1.12 0.00 0.00 29.99 33.23 3d7s n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3d7s n ALA 118 N -2.69 2.63 -2.62 -1.41 0.00 -1.26 -4.83 120.51 110.32 3d7s n ALA 118 Ca 0.00 -0.35 -0.38 0.00 0.00 0.00 0.00 53.44 52.71 3d7s n ALA 118 Cb 0.00 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.09 3d7s n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3d7s s GLU 119 N -2.02 4.02 -1.22 0.00 0.41 -1.26 -5.02 118.70 113.61 3d7s s GLU 119 Ca 0.41 0.30 -0.21 0.00 -0.41 0.00 0.00 54.97 55.06 3d7s s GLU 119 Cb 0.21 -3.30 -0.03 0.00 -1.78 0.00 0.00 34.13 29.23 3d7s s GLU 119 CO 0.35 0.51 1.86 -1.25 -0.49 0.00 0.00 175.26 176.24 3d7s s PRO 120 N -0.44 3.04 0.11 0.39 0.04 -1.26 -4.89 135.00 131.99 3d7s s PRO 120 Ca 0.22 -1.46 -0.14 0.00 0.04 0.00 0.00 61.00 59.65 3d7s s PRO 120 Cb -0.15 -5.35 0.03 0.00 0.04 0.00 0.00 34.50 29.06 3d7s s PRO 120 CO 0.10 -3.36 0.34 0.14 0.04 0.00 0.00 177.00 174.27 3d7s s VAL 121 N 8.56 0.09 -0.08 -0.36 -7.23 -1.26 -5.15 120.40 114.97 3d7s s VAL 121 Ca 0.63 -0.73 -0.21 0.00 -1.81 0.00 0.00 61.98 59.86 3d7s s VAL 121 Cb 0.01 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 3d7s s VAL 121 CO 0.11 -0.40 0.60 -0.94 -0.31 0.00 0.00 175.10 174.16 3d7s s SER 122 N -2.80 6.87 -0.45 4.85 1.04 -1.26 -5.01 113.70 116.94 3d7s s SER 122 Ca 0.03 1.05 -0.28 0.00 0.48 0.00 0.00 55.95 57.23 3d7s s SER 122 Cb 0.03 -2.36 0.01 0.00 0.10 0.00 0.00 66.02 63.80 3d7s s SER 122 CO -0.12 -0.04 1.45 -0.94 0.98 0.00 0.00 173.24 174.58 3d7s s SER 123 N 0.58 6.22 -0.15 7.02 1.04 -1.26 -4.78 113.70 122.36 3d7s s SER 123 Ca 0.32 0.70 -0.02 0.00 0.48 0.00 0.00 55.95 57.44 3d7s s SER 123 Cb -0.17 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.39 3d7s s SER 123 CO 0.15 -1.55 -0.09 -0.55 0.98 0.00 0.00 173.24 172.18 3d7s s SER 124 N 4.33 4.31 0.00 7.02 0.15 -1.26 -1.33 113.70 126.92 3d7s s SER 124 Ca 0.60 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.98 3d7s s SER 124 Cb -0.13 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 3d7s s SER 124 CO 0.31 0.14 0.00 0.49 1.20 0.00 0.00 173.24 175.37 3d7s n PHE 125 N 3.72 0.00 -3.35 3.44 3.01 -1.25 -0.48 117.46 122.55 3d7s n PHE 125 Ca -0.18 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.30 3d7s n PHE 125 Cb 0.52 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.97 3d7s n PHE 125 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3d7s s ALA 126 N -2.34 -2.56 0.19 4.37 0.00 -1.22 -4.59 121.76 115.61 3d7s s ALA 126 Ca 0.00 1.96 -0.30 0.00 0.00 0.00 0.00 51.96 53.62 3d7s s ALA 126 Cb 0.00 -2.10 -0.08 0.00 0.00 0.00 0.00 23.12 20.94 3d7s s ALA 126 CO 0.00 -1.14 1.05 0.08 0.00 0.00 0.00 175.76 175.75 3d7s s VAL 127 N 2.76 3.93 -0.26 0.00 1.01 -0.83 -2.12 120.40 124.90 3d7s s VAL 127 Ca 0.03 1.74 -0.14 0.00 0.00 0.00 0.00 61.98 63.60 3d7s s VAL 127 Cb -0.11 -4.11 0.08 0.00 0.00 0.00 0.00 36.38 32.24 3d7s s VAL 127 CO -0.18 0.33 0.63 -0.60 0.00 0.00 0.00 175.10 175.28 3d7s s ARG 128 N -0.63 0.64 0.34 2.72 3.52 0.15 -4.94 118.95 120.75 3d7s s ARG 128 Ca 0.47 1.14 0.09 0.00 -0.13 0.00 0.00 55.73 57.30 3d7s s ARG 128 Cb -0.28 0.11 -0.06 0.00 -1.56 0.00 0.00 34.95 33.16 3d7s s ARG 128 CO 0.35 -0.15 -0.04 0.21 -0.81 0.00 0.00 175.30 174.85 3d7s s LYS 129 N 1.61 1.96 0.00 5.12 2.20 -1.26 0.90 119.74 130.26 3d7s s LYS 129 Ca -0.10 -1.83 0.00 0.00 -0.36 0.00 0.00 55.97 53.69 3d7s s LYS 129 Cb -0.06 -1.83 0.00 0.00 -1.51 0.00 0.00 37.83 34.43 3d7s s LYS 129 CO -0.18 0.15 0.00 -2.13 -0.36 0.00 0.00 175.35 172.82 3d7s n ARG 130 N -0.87 0.00 0.08 4.03 0.63 -1.22 -4.96 116.66 114.34 3d7s n ARG 130 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 3d7s n ARG 130 Cb 0.63 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.54 3d7s n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3d7s n ALA 131 N -1.55 0.00 0.32 5.13 0.00 -1.26 -4.95 120.51 118.20 3d7s n ALA 131 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3d7s n ALA 131 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.09 3d7s n ALA 131 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3d7s h ASN 132 N 0.00 0.00 0.00 0.00 2.35 -2.04 -3.47 115.58 112.42 3d7s h ASN 132 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3d7s h ASN 132 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3d7s h ASN 132 CO 0.00 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 174.88 3d7s n ASP 133 N -2.55 0.00 -4.10 5.81 5.68 -1.26 -5.13 116.55 115.00 3d7s n ASP 133 Ca 0.01 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.06 3d7s n ASP 133 Cb 0.20 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.02 3d7s n ASP 133 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3d7s s ILE 134 N -1.86 1.20 0.13 2.12 -1.09 -1.26 -3.43 121.20 117.02 3d7s s ILE 134 Ca 0.00 -0.61 0.10 0.00 -2.23 0.00 0.00 60.65 57.90 3d7s s ILE 134 Cb 0.00 -1.03 -0.04 0.00 -1.58 0.00 0.00 42.46 39.81 3d7s s ILE 134 CO 0.00 0.35 -0.19 0.00 -1.23 0.00 0.00 174.94 173.87 3d7s s ALA 135 N -0.07 2.65 -0.09 9.38 0.00 0.26 0.33 121.76 134.21 3d7s s ALA 135 Ca -0.00 -1.41 -0.05 0.00 0.00 0.00 0.00 51.96 50.49 3d7s s ALA 135 Cb -0.09 -0.59 0.04 0.00 0.00 0.00 0.00 23.12 22.49 3d7s s ALA 135 CO 0.01 0.55 0.22 -0.48 0.00 0.00 0.00 175.76 176.06 3d7s s LEU 136 N -2.26 0.61 -0.43 0.00 0.05 -0.25 0.32 118.68 116.73 3d7s s LEU 136 Ca 0.18 0.46 -0.16 0.00 0.05 0.00 0.00 54.13 54.66 3d7s s LEU 136 Cb -0.10 0.66 0.03 0.00 -2.05 0.00 0.00 46.19 44.73 3d7s s LEU 136 CO 0.10 -0.15 0.39 -0.75 -0.55 0.00 0.00 176.35 175.40 3d7s s LYS 137 N 1.03 3.03 -0.49 1.48 2.20 -0.90 -1.64 119.74 124.45 3d7s s LYS 137 Ca -0.08 -0.94 -0.45 0.00 -0.36 0.00 0.00 55.97 54.15 3d7s s LYS 137 Cb -0.09 -4.00 -0.19 0.00 -1.51 0.00 0.00 37.83 32.04 3d7s s LYS 137 CO -0.06 -0.86 1.99 0.00 -0.36 0.00 0.00 175.35 176.06 3d7s h LYS 139 N 7.98 0.47 0.10 0.00 3.64 -1.03 0.54 116.57 128.26 3d7s h LYS 139 Ca -0.20 -0.03 -0.32 0.00 -1.27 0.00 0.00 60.65 58.83 3d7s h LYS 139 Cb 1.40 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 3d7s h LYS 139 CO 1.06 0.31 -1.75 1.88 -2.27 0.00 0.00 179.45 178.68 3d7s h TYR 140 N 0.48 0.37 0.00 1.91 0.05 -1.87 -3.39 116.97 114.52 3d7s h TYR 140 Ca 0.18 -0.27 0.00 0.00 0.05 0.00 0.00 58.73 58.69 3d7s h TYR 140 Cb 0.13 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.86 3d7s h TYR 140 CO -0.00 1.69 -1.04 0.00 -1.05 0.00 0.00 178.16 177.75 3d7s n GLU 142 N -1.78 -1.72 -3.96 0.00 1.02 0.19 -4.96 120.64 109.43 3d7s n GLU 142 Ca 0.02 1.00 -0.35 0.00 -0.02 0.00 0.00 57.16 57.81 3d7s n GLU 142 Cb 0.40 -5.67 -0.12 0.00 -0.02 0.00 0.00 31.44 26.03 3d7s n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3d7s s LYS 143 N -5.05 3.67 0.01 3.49 -0.14 -1.26 -4.79 119.74 115.67 3d7s s LYS 143 Ca 0.00 -0.49 -0.12 0.00 -1.36 0.00 0.00 55.97 54.00 3d7s s LYS 143 Cb -0.00 -3.17 -0.05 0.00 -1.68 0.00 0.00 37.83 32.92 3d7s s LYS 143 CO 0.00 -0.02 0.37 -2.00 -0.76 0.00 0.00 175.35 172.94 3d7s s GLU 144 N 1.13 3.80 0.28 1.68 2.12 -1.26 -1.90 118.70 124.55 3d7s s GLU 144 Ca 0.03 0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.64 3d7s s GLU 144 Cb -0.14 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 3d7s s GLU 144 CO 0.02 0.66 0.15 -0.06 -0.54 0.00 0.00 175.26 175.49 3d7s s PHE 145 N -1.18 1.53 0.01 5.30 0.40 -0.65 -4.94 117.98 118.44 3d7s s PHE 145 Ca 0.26 -1.35 -0.08 0.00 -0.60 0.00 0.00 56.93 55.16 3d7s s PHE 145 Cb -0.15 -0.81 -0.05 0.00 0.51 0.00 0.00 43.02 42.52 3d7s s PHE 145 CO 0.14 -0.52 0.29 -1.54 0.70 0.00 0.00 175.22 174.29 3d7s s SER 146 N -3.33 6.54 0.60 1.36 1.04 -1.25 -1.09 113.70 117.56 3d7s s SER 146 Ca 0.37 0.62 0.29 0.00 0.48 0.00 0.00 55.95 57.71 3d7s s SER 146 Cb 0.06 -2.12 1.33 0.00 0.10 0.00 0.00 66.02 65.39 3d7s s SER 146 CO 0.16 0.26 1.72 1.12 0.98 0.00 0.00 173.24 177.48 3d7s h HIS 147 N 4.10 0.00 0.68 5.02 2.07 -0.49 -0.41 115.15 126.12 3d7s h HIS 147 Ca -0.50 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 56.98 3d7s h HIS 147 Cb 1.20 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.19 3d7s h HIS 147 CO 0.69 0.00 -0.33 -0.91 -3.07 0.00 0.00 177.93 174.31 3d7s h ASN 148 N 0.00 -0.77 -0.99 3.10 2.35 -1.90 -0.91 115.58 116.46 3d7s h ASN 148 Ca 0.31 0.03 0.20 0.00 -0.55 0.00 0.00 56.30 56.29 3d7s h ASN 148 Cb 1.75 0.20 -0.11 0.00 0.05 0.00 0.00 38.32 40.21 3d7s h ASN 148 CO -0.00 -0.52 0.58 -0.37 -1.65 0.00 0.00 177.43 175.47 3d7s h VAL 149 N -0.98 0.66 -0.09 2.81 -1.51 -1.48 0.25 116.25 115.91 3d7s h VAL 149 Ca -0.09 -0.24 -0.11 0.00 -1.23 0.00 0.00 66.70 65.03 3d7s h VAL 149 Cb 0.70 -0.10 -0.01 0.00 -2.13 0.00 0.00 31.29 29.75 3d7s h VAL 149 CO 0.15 0.13 -0.42 0.58 -1.23 0.00 0.00 177.57 176.79 3d7s h VAL 150 N 0.70 1.31 -1.51 7.19 2.07 -1.45 -3.35 116.25 121.20 3d7s h VAL 150 Ca 0.58 -1.52 -0.71 0.00 0.82 0.00 0.00 66.70 65.87 3d7s h VAL 150 Cb 0.96 1.70 -0.13 0.00 -1.52 0.00 0.00 31.29 32.30 3d7s h VAL 150 CO -0.41 0.45 1.79 0.18 0.02 0.00 0.00 177.57 179.61 3d7s n LEU 151 N -4.02 5.11 0.00 2.57 4.77 0.89 -4.57 117.00 121.74 3d7s n LEU 151 Ca -0.02 -4.20 0.00 0.00 -0.03 0.00 0.00 56.01 51.77 3d7s n LEU 151 Cb 0.48 -1.68 0.00 0.00 -2.33 0.00 0.00 43.42 39.88 3d7s n LEU 151 CO 0.42 0.45 0.00 0.00 -1.33 0.00 0.00 177.39 176.93 3d7s n ALA 152 N 6.97 0.00 -0.56 -1.18 0.00 -1.26 -4.90 120.51 119.59 3d7s n ALA 152 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3d7s n ALA 152 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3d7s n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79