#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r0b s THR 2 N 0.00 -0.00 -1.05 3.17 2.01 -1.26 -5.03 115.64 113.47 1r0b s THR 2 Ca 0.00 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 61.97 1r0b s THR 2 Cb 0.00 -0.83 0.30 0.00 0.01 0.00 0.00 72.50 71.97 1r0b s THR 2 CO 0.00 0.01 1.36 1.57 -0.69 0.00 0.00 174.62 176.86 1r0b n HIS 3 N 3.30 2.86 -2.17 4.92 -0.00 -1.26 -5.01 115.22 117.87 1r0b n HIS 3 Ca -0.16 -2.94 -0.39 0.00 0.46 0.00 0.00 57.72 54.69 1r0b n HIS 3 Cb 0.56 -1.27 -0.03 0.00 -0.12 0.00 0.00 29.99 29.13 1r0b n HIS 3 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1r0b s ASP 4 N -1.32 5.51 -0.10 0.26 1.01 -1.26 -3.59 116.67 117.18 1r0b s ASP 4 Ca 0.32 0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.75 1r0b s ASP 4 Cb 0.03 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1r0b s ASP 4 CO 0.06 -2.23 0.00 0.59 0.21 0.00 0.00 175.17 173.81 1r0b n ASN 5 N 11.86 -3.25 -3.23 0.27 3.02 -1.26 -4.68 115.26 117.99 1r0b n ASN 5 Ca 0.16 0.02 -0.20 0.00 -0.03 0.00 0.00 54.58 54.53 1r0b n ASN 5 Cb 0.51 -0.83 0.02 0.00 -0.61 0.00 0.00 39.78 38.87 1r0b n ASN 5 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1r0b n LYS 6 N -2.79 -1.97 -4.66 3.52 4.81 -1.24 -5.03 118.16 110.79 1r0b n LYS 6 Ca -0.01 1.62 -0.31 0.00 -0.87 0.00 0.00 58.31 58.74 1r0b n LYS 6 Cb 0.05 -3.98 -0.17 0.00 0.02 0.00 0.00 35.03 30.95 1r0b n LYS 6 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1r0b s LEU 7 N -3.05 1.96 -1.18 3.14 2.96 -1.26 -5.06 118.68 116.19 1r0b s LEU 7 Ca 0.23 -0.53 -0.21 0.00 -0.22 0.00 0.00 54.13 53.40 1r0b s LEU 7 Cb -0.04 -1.30 -0.05 0.00 0.50 0.00 0.00 46.19 45.30 1r0b s LEU 7 CO 0.82 0.07 1.89 1.67 -1.32 0.00 0.00 176.35 179.48 1r0b n GLN 8 N 4.04 2.08 -0.20 1.98 -0.06 -1.26 -4.78 117.38 119.18 1r0b n GLN 8 Ca -0.20 -2.62 0.00 0.00 -2.00 0.00 0.00 57.00 52.18 1r0b n GLN 8 Cb 0.52 -3.55 0.00 0.00 -4.06 0.00 0.00 30.24 23.14 1r0b n GLN 8 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1r0b n VAL 9 N 7.08 0.00 -4.22 1.69 0.31 -1.26 -5.20 118.33 116.73 1r0b n VAL 9 Ca 0.47 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.67 1r0b n VAL 9 Cb 0.45 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.28 1r0b n VAL 9 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1r0b s GLU 10 N 0.69 1.24 0.22 5.55 2.12 -1.26 -5.17 118.70 122.09 1r0b s GLU 10 Ca 0.00 -1.65 -0.02 0.00 0.36 0.00 0.00 54.97 53.66 1r0b s GLU 10 Cb 0.00 0.17 -0.03 0.00 0.26 0.00 0.00 34.13 34.52 1r0b s GLU 10 CO 0.00 -0.37 0.20 0.00 -0.54 0.00 0.00 175.26 174.55 1r0b s ALA 11 N -4.08 1.02 0.00 6.30 0.00 -1.26 -5.04 121.76 118.70 1r0b s ALA 11 Ca 0.39 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1r0b s ALA 11 Cb 0.07 1.35 0.00 0.00 0.00 0.00 0.00 23.12 24.54 1r0b s ALA 11 CO 0.12 -0.64 0.00 -0.89 0.00 0.00 0.00 175.76 174.35 1r0b n ILE 12 N -0.32 0.00 -5.02 0.00 5.41 -1.26 -5.08 119.36 113.09 1r0b n ILE 12 Ca 0.02 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.48 1r0b n ILE 12 Cb 0.65 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 39.43 1r0b n ILE 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1r0b s LYS 13 N -0.19 1.79 -1.09 0.38 -2.85 -1.26 -4.60 119.74 111.92 1r0b s LYS 13 Ca 0.00 -0.92 -0.04 0.00 -1.00 0.00 0.00 55.97 54.01 1r0b s LYS 13 Cb 0.00 -1.82 0.00 0.00 -2.06 0.00 0.00 37.83 33.96 1r0b s LYS 13 CO 0.00 0.49 0.93 0.54 0.10 0.00 0.00 175.35 177.41 1r0b n ARG 14 N 2.22 -6.24 -3.28 1.78 1.74 -0.96 -4.23 116.66 107.69 1r0b n ARG 14 Ca -0.16 0.71 -0.05 0.00 -0.77 0.00 0.00 57.85 57.58 1r0b n ARG 14 Cb 0.52 -5.36 -0.06 0.00 -1.02 0.00 0.00 32.46 26.55 1r0b n ARG 14 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1r0b s GLY 15 N -3.67 -0.62 0.41 -0.13 0.00 -0.72 -0.99 107.32 101.59 1r0b s GLY 15 Ca 0.27 1.19 -0.22 0.00 0.00 0.00 0.00 44.72 45.97 1r0b s GLY 15 CO 0.62 2.92 0.23 -0.37 0.00 0.00 0.00 173.10 176.50 1r0b n THR 16 N 5.39 1.03 -3.74 0.90 5.66 -0.79 -4.43 114.28 118.29 1r0b n THR 16 Ca -0.02 -0.50 -0.30 0.00 -3.05 0.00 0.00 64.05 60.18 1r0b n THR 16 Cb 0.50 -0.16 -0.14 0.00 -1.55 0.00 0.00 70.33 68.98 1r0b n THR 16 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1r0b s VAL 17 N -1.61 1.29 -0.98 1.08 1.01 -0.39 -2.99 120.40 117.81 1r0b s VAL 17 Ca 0.61 -2.18 -0.26 0.00 0.00 0.00 0.00 61.98 60.15 1r0b s VAL 17 Cb -0.63 -1.93 -0.15 0.00 0.00 0.00 0.00 36.38 33.67 1r0b s VAL 17 CO 0.61 -0.81 2.17 -0.63 0.00 0.00 0.00 175.10 176.44 1r0b s ILE 18 N 0.78 3.15 0.11 2.22 1.01 -1.06 -3.59 121.20 123.84 1r0b s ILE 18 Ca 0.15 -0.20 -0.31 0.00 0.00 0.00 0.00 60.65 60.28 1r0b s ILE 18 Cb -0.22 -3.75 -0.10 0.00 0.01 0.00 0.00 42.46 38.39 1r0b s ILE 18 CO -0.08 -0.30 1.58 0.44 0.00 0.00 0.00 174.94 176.59 1r0b h ASP 19 N 11.66 -1.34 -3.41 3.58 3.32 -1.48 -3.04 116.42 125.72 1r0b h ASP 19 Ca 0.05 0.15 -0.64 0.00 0.02 0.00 0.00 57.03 56.61 1r0b h ASP 19 Cb 0.99 0.51 -0.23 0.00 0.22 0.00 0.00 39.33 40.82 1r0b h ASP 19 CO 1.07 -0.49 -0.67 -1.00 -1.72 0.00 0.00 179.24 176.42 1r0b s HIS 20 N -5.87 3.03 -0.12 4.55 3.76 -1.26 -4.46 115.29 114.92 1r0b s HIS 20 Ca -0.16 -0.47 -0.04 0.00 -0.15 0.00 0.00 55.06 54.24 1r0b s HIS 20 Cb 0.08 -2.06 0.06 0.00 1.11 0.00 0.00 32.58 31.76 1r0b s HIS 20 CO 0.63 -0.23 0.16 0.42 -0.85 0.00 0.00 174.74 174.87 1r0b s ILE 21 N 0.92 -0.25 0.25 0.60 1.01 -1.17 -3.99 121.20 118.57 1r0b s ILE 21 Ca 0.01 0.18 -0.31 0.00 0.00 0.00 0.00 60.65 60.53 1r0b s ILE 21 Cb -0.14 -0.42 -0.13 0.00 0.01 0.00 0.00 42.46 41.78 1r0b s ILE 21 CO 0.02 0.01 1.47 -2.65 0.00 0.00 0.00 174.94 173.79 1r0b n PRO 22 N 5.32 2.24 -1.27 2.79 -0.02 -1.26 -0.75 135.00 142.04 1r0b n PRO 22 Ca -0.05 0.80 -0.40 0.00 -2.02 0.00 0.00 63.50 61.83 1r0b n PRO 22 Cb 0.50 -2.50 0.01 0.00 -0.02 0.00 0.00 33.50 31.49 1r0b n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r0b n ALA 23 N 2.06 -3.00 -1.12 3.55 0.00 -1.26 -2.24 120.51 118.49 1r0b n ALA 23 Ca 0.11 -0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.51 1r0b n ALA 23 Cb 0.33 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 1r0b n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1r0b n GLN 24 N 1.43 -1.19 -0.01 0.00 1.13 -1.26 -4.76 117.38 112.72 1r0b n GLN 24 Ca 0.09 0.53 0.02 0.00 -1.94 0.00 0.00 57.00 55.70 1r0b n GLN 24 Cb 0.45 -4.54 -0.04 0.00 0.11 0.00 0.00 30.24 26.22 1r0b n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1r0b n ILE 25 N -2.43 0.05 0.11 5.09 5.41 -0.95 -4.40 119.36 122.24 1r0b n ILE 25 Ca -0.04 -0.14 -0.15 0.00 1.00 0.00 0.00 62.75 63.42 1r0b n ILE 25 Cb 0.36 0.19 -0.08 0.00 -0.71 0.00 0.00 39.64 39.40 1r0b n ILE 25 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1r0b h GLY 26 N 1.00 -0.91 1.25 7.39 0.00 -1.86 0.90 103.07 110.84 1r0b h GLY 26 Ca -0.02 0.54 -0.04 0.00 0.00 0.00 0.00 47.33 47.81 1r0b h GLY 26 CO 0.00 -0.27 0.23 -2.75 0.00 0.00 0.00 176.54 173.75 1r0b h PHE 27 N -0.67 0.97 -0.70 5.60 3.57 -1.97 -2.21 116.94 121.54 1r0b h PHE 27 Ca 0.02 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 1r0b h PHE 27 Cb 0.70 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 1r0b h PHE 27 CO -0.40 0.76 0.28 -0.22 -2.23 0.00 0.00 178.31 176.50 1r0b h LYS 28 N 0.93 1.02 0.00 1.11 3.64 -1.49 -1.52 116.57 120.27 1r0b h LYS 28 Ca 0.21 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1r0b h LYS 28 Cb 0.22 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1r0b h LYS 28 CO -0.01 0.83 0.00 -0.07 -2.27 0.00 0.00 179.45 177.93 1r0b h LEU 29 N 1.00 0.00 0.00 5.20 3.38 0.14 -2.96 115.31 122.07 1r0b h LEU 29 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1r0b h LEU 29 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1r0b h LEU 29 CO -0.02 0.00 -0.11 -0.07 0.09 0.00 0.00 178.44 178.33 1r0b h LEU 30 N 0.00 0.00 -1.40 1.67 3.38 -0.85 -3.25 115.31 114.86 1r0b h LEU 30 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1r0b h LEU 30 Cb 0.54 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1r0b h LEU 30 CO 0.00 0.33 0.44 0.77 0.09 0.00 0.00 178.44 180.07 1r0b h SER 31 N -0.56 0.67 -0.27 -0.43 4.64 -1.57 -1.99 113.55 114.04 1r0b h SER 31 Ca 0.00 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1r0b h SER 31 Cb 0.11 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1r0b h SER 31 CO 0.00 0.46 -0.24 0.25 -0.87 0.00 0.00 176.83 176.43 1r0b h LEU 32 N 0.78 0.77 -3.58 5.97 5.85 -1.72 -3.12 115.31 120.26 1r0b h LEU 32 Ca 0.27 -0.28 -0.19 0.00 0.84 0.00 0.00 57.88 58.52 1r0b h LEU 32 Cb 0.10 -0.21 -0.11 0.00 0.37 0.00 0.00 40.66 40.80 1r0b h LEU 32 CO -0.08 0.98 0.17 0.49 -0.34 0.00 0.00 178.44 179.67 1r0b n PHE 33 N -4.11 1.90 -2.96 1.25 3.01 -1.02 -4.95 117.46 110.58 1r0b n PHE 33 Ca -0.00 -1.28 -0.14 0.00 1.01 0.00 0.00 57.45 57.04 1r0b n PHE 33 Cb 0.44 -0.59 -0.04 0.00 -0.01 0.00 0.00 39.48 39.28 1r0b n PHE 33 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1r0b n LYS 34 N -0.54 -0.93 0.06 -1.08 5.02 -0.78 -4.70 118.16 115.21 1r0b n LYS 34 Ca 0.37 0.04 -0.05 0.00 -2.02 0.00 0.00 58.31 56.65 1r0b n LYS 34 Cb 1.23 -1.62 0.14 0.00 -0.02 0.00 0.00 35.03 34.76 1r0b n LYS 34 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1r0b h LEU 35 N -0.21 0.38 -0.89 -0.35 3.38 -1.84 -2.82 115.31 112.96 1r0b h LEU 35 Ca -0.25 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 1r0b h LEU 35 Cb 0.55 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1r0b h LEU 35 CO 0.31 0.83 0.07 0.00 0.09 0.00 0.00 178.44 179.74 1r0b h THR 36 N 0.28 1.24 -1.24 0.22 1.03 -1.84 -3.20 112.91 109.41 1r0b h THR 36 Ca 0.01 -0.96 0.36 0.00 -0.01 0.00 0.00 66.41 65.81 1r0b h THR 36 Cb 0.99 0.74 -0.05 0.00 -1.07 0.00 0.00 68.15 68.76 1r0b h THR 36 CO 0.08 0.35 1.22 -0.33 -0.01 0.00 0.00 175.52 176.83 1r0b h GLU 37 N 0.85 0.00 0.00 0.00 4.39 -1.86 -3.41 114.58 114.54 1r0b h GLU 37 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1r0b h GLU 37 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1r0b h GLU 37 CO 0.01 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 178.11 1r0b n THR 38 N -3.47 0.00 -1.99 1.13 -2.24 -1.21 -5.03 114.28 101.47 1r0b n THR 38 Ca 0.28 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.96 1r0b n THR 38 Cb 1.59 -1.92 0.09 0.00 -2.10 0.00 0.00 70.33 67.99 1r0b n THR 38 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1r0b n ASP 39 N -1.85 3.24 -4.98 3.42 8.00 -1.26 -5.08 116.55 118.05 1r0b n ASP 39 Ca 0.00 -3.51 -0.21 0.00 0.71 0.00 0.00 54.79 51.78 1r0b n ASP 39 Cb 0.00 -0.42 0.02 0.00 -0.02 0.00 0.00 41.12 40.70 1r0b n ASP 39 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1r0b s GLN 40 N -3.25 2.82 -1.30 -1.24 -1.52 -1.26 -5.00 119.66 108.90 1r0b s GLN 40 Ca 0.43 -0.80 -0.12 0.00 -1.95 0.00 0.00 55.36 52.92 1r0b s GLN 40 Cb 0.39 -2.60 0.13 0.00 -0.22 0.00 0.00 33.01 30.71 1r0b s GLN 40 CO -0.02 -0.41 1.83 -2.13 -0.25 0.00 0.00 175.29 174.32 1r0b n ARG 41 N -2.09 3.36 -2.57 2.91 0.63 -1.26 -4.96 116.66 112.67 1r0b n ARG 41 Ca 0.05 -3.38 -0.38 0.00 -0.92 0.00 0.00 57.85 53.22 1r0b n ARG 41 Cb 0.59 -3.09 -0.05 0.00 0.45 0.00 0.00 32.46 30.36 1r0b n ARG 41 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1r0b s ILE 42 N 1.69 3.74 0.14 5.15 1.01 -1.26 -3.49 121.20 128.18 1r0b s ILE 42 Ca 0.44 1.52 0.10 0.00 0.00 0.00 0.00 60.65 62.71 1r0b s ILE 42 Cb 0.07 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1r0b s ILE 42 CO -0.01 0.19 -0.25 -0.89 0.00 0.00 0.00 174.94 173.99 1r0b s THR 43 N -1.44 2.13 -0.09 2.92 2.01 -0.53 -5.00 115.64 115.64 1r0b s THR 43 Ca 0.51 -1.78 -0.05 0.00 0.31 0.00 0.00 61.69 60.68 1r0b s THR 43 Cb -0.25 -1.92 0.04 0.00 0.01 0.00 0.00 72.50 70.38 1r0b s THR 43 CO 0.32 -0.01 0.22 -0.63 -0.69 0.00 0.00 174.62 173.83 1r0b s ILE 44 N -1.26 -0.03 -0.18 1.82 1.01 -1.26 -1.96 121.20 119.34 1r0b s ILE 44 Ca 0.14 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.93 1r0b s ILE 44 Cb -0.09 -0.34 0.03 0.00 0.01 0.00 0.00 42.46 42.07 1r0b s ILE 44 CO 0.06 0.05 -0.15 -0.83 0.00 0.00 0.00 174.94 174.07 1r0b s GLY 45 N 1.04 1.32 -0.17 6.18 0.00 0.17 -4.95 107.32 110.90 1r0b s GLY 45 Ca -0.08 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.46 1r0b s GLY 45 CO -0.06 0.47 -0.16 1.08 0.00 0.00 0.00 173.10 174.43 1r0b s LEU 46 N 1.35 2.40 -0.97 0.66 1.43 -1.26 0.29 118.68 122.58 1r0b s LEU 46 Ca 0.02 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.55 1r0b s LEU 46 Cb -0.14 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1r0b s LEU 46 CO -0.10 0.05 0.83 0.59 0.23 0.00 0.00 176.35 177.95 1r0b n ASN 47 N 4.31 -4.24 -4.58 2.29 4.13 -1.26 -4.94 115.26 110.97 1r0b n ASN 47 Ca -0.20 -0.42 -0.42 0.00 1.68 0.00 0.00 54.58 55.23 1r0b n ASN 47 Cb 0.51 -3.87 -0.03 0.00 -1.54 0.00 0.00 39.78 34.85 1r0b n ASN 47 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1r0b s LEU 48 N -5.52 3.41 -0.64 3.41 1.43 -0.79 -4.68 118.68 115.29 1r0b s LEU 48 Ca 0.30 0.18 -0.33 0.00 -1.03 0.00 0.00 54.13 53.26 1r0b s LEU 48 Cb -0.13 -3.07 -0.15 0.00 0.03 0.00 0.00 46.19 42.86 1r0b s LEU 48 CO 0.54 -1.63 2.43 -2.65 0.23 0.00 0.00 176.35 175.26 1r0b n PRO 49 N 8.62 0.53 -4.61 1.29 -0.02 -1.26 -0.99 135.00 138.55 1r0b n PRO 49 Ca 0.10 0.08 -0.30 0.00 -2.02 0.00 0.00 63.50 61.36 1r0b n PRO 49 Cb 0.49 -2.20 -0.13 0.00 -0.02 0.00 0.00 33.50 31.64 1r0b n PRO 49 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1r0b s SER 50 N 8.89 3.69 0.11 2.55 0.15 0.54 -4.88 113.70 124.74 1r0b s SER 50 Ca 1.18 -0.50 -0.21 0.00 0.70 0.00 0.00 55.95 57.13 1r0b s SER 50 Cb -0.94 -0.52 -0.09 0.00 -1.71 0.00 0.00 66.02 62.76 1r0b s SER 50 CO 0.46 0.24 1.74 1.23 1.20 0.00 0.00 173.24 178.11 1r0b h GLY 51 N 4.37 0.22 0.00 9.45 0.00 -1.90 -2.38 103.07 112.83 1r0b h GLY 51 Ca -0.48 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1r0b h GLY 51 CO 0.46 0.09 0.00 1.18 0.00 0.00 0.00 176.54 178.27 1r0b n GLU 52 N -4.96 0.00 -2.74 4.80 4.71 -1.26 -3.83 120.64 117.36 1r0b n GLU 52 Ca -0.04 0.93 -0.18 0.00 -0.01 0.00 0.00 57.16 57.85 1r0b n GLU 52 Cb 0.04 -1.42 0.00 0.00 -1.01 0.00 0.00 31.44 29.05 1r0b n GLU 52 CO 0.00 0.00 0.00 -0.12 0.09 0.00 0.00 177.13 177.10 1r0b n MET 53 N -2.77 2.09 0.00 3.49 0.00 -1.26 -5.10 117.12 113.57 1r0b n MET 53 Ca 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 57.70 53.82 1r0b n MET 53 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 33.22 31.46 1r0b n MET 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1r0b n GLY 54 N -0.15 1.78 3.67 -5.12 0.00 -0.90 -4.62 105.19 99.85 1r0b n GLY 54 Ca 0.24 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1r0b n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r0b s ARG 55 N 0.00 4.26 0.05 1.61 0.52 -1.26 0.20 118.95 124.33 1r0b s ARG 55 Ca 0.00 0.86 0.04 0.00 -0.52 0.00 0.00 55.73 56.11 1r0b s ARG 55 Cb 0.00 -3.58 -0.02 0.00 0.52 0.00 0.00 34.95 31.87 1r0b s ARG 55 CO 0.00 -0.30 -0.12 -1.59 0.02 0.00 0.00 175.30 173.31 1r0b s LYS 56 N 2.08 0.78 0.64 3.54 0.00 -0.17 -4.38 119.74 122.24 1r0b s LYS 56 Ca 0.34 -0.81 -0.11 0.00 0.00 0.00 0.00 55.97 55.40 1r0b s LYS 56 Cb -0.16 -0.74 -0.02 0.00 0.00 0.00 0.00 37.83 36.91 1r0b s LYS 56 CO 0.11 0.17 1.04 -0.51 0.00 0.00 0.00 175.35 176.17 1r0b s ASP 57 N -1.42 5.95 -0.14 0.03 1.01 0.07 -1.88 116.67 120.29 1r0b s ASP 57 Ca -0.02 1.29 -0.06 0.00 0.71 0.00 0.00 52.55 54.47 1r0b s ASP 57 Cb -0.09 -2.26 0.06 0.00 1.01 0.00 0.00 42.92 41.64 1r0b s ASP 57 CO 0.01 -1.02 0.31 -0.22 0.21 0.00 0.00 175.17 174.47 1r0b s LEU 58 N -5.22 -0.17 0.21 1.23 2.96 0.15 -3.01 118.68 114.82 1r0b s LEU 58 Ca 0.56 0.71 0.09 0.00 -0.22 0.00 0.00 54.13 55.26 1r0b s LEU 58 Cb -0.11 0.95 -0.04 0.00 0.50 0.00 0.00 46.19 47.49 1r0b s LEU 58 CO 0.53 -0.21 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.69 1r0b s ILE 59 N 2.02 3.49 -0.06 6.68 1.01 -1.15 0.44 121.20 133.64 1r0b s ILE 59 Ca -0.04 -1.68 -0.14 0.00 0.00 0.00 0.00 60.65 58.80 1r0b s ILE 59 Cb -0.11 -2.79 0.03 0.00 0.01 0.00 0.00 42.46 39.59 1r0b s ILE 59 CO -0.10 -0.22 0.33 -0.54 0.00 0.00 0.00 174.94 174.41 1r0b s LYS 60 N -3.21 0.57 -0.33 2.79 1.02 -0.83 -2.55 119.74 117.20 1r0b s LYS 60 Ca 0.28 0.08 -0.01 0.00 0.02 0.00 0.00 55.97 56.35 1r0b s LYS 60 Cb -0.08 0.26 0.13 0.00 -0.52 0.00 0.00 37.83 37.62 1r0b s LYS 60 CO 0.18 -0.13 0.22 0.42 -0.92 0.00 0.00 175.35 175.12 1r0b s ILE 61 N -0.72 -0.04 0.39 2.17 1.01 -1.16 -1.45 121.20 121.39 1r0b s ILE 61 Ca -0.08 -1.20 -0.25 0.00 0.00 0.00 0.00 60.65 59.12 1r0b s ILE 61 Cb -0.04 -1.00 -0.12 0.00 0.01 0.00 0.00 42.46 41.31 1r0b s ILE 61 CO 0.03 -0.81 0.93 1.21 0.00 0.00 0.00 174.94 176.30 1r0b n GLU 62 N 4.56 1.21 -4.03 2.79 2.13 -1.23 -2.59 120.64 123.49 1r0b n GLU 62 Ca 0.05 0.43 -0.27 0.00 0.66 0.00 0.00 57.16 58.04 1r0b n GLU 62 Cb 0.41 -1.90 -0.04 0.00 0.27 0.00 0.00 31.44 30.17 1r0b n GLU 62 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1r0b n ASN 63 N 0.80 -0.14 -3.59 4.31 3.02 -0.17 -4.44 115.26 115.05 1r0b n ASN 63 Ca 0.10 -1.06 -0.14 0.00 -0.03 0.00 0.00 54.58 53.45 1r0b n ASN 63 Cb 0.37 -2.78 -0.06 0.00 -0.61 0.00 0.00 39.78 36.70 1r0b n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1r0b s THR 64 N -4.02 0.00 -0.30 3.41 2.01 -1.07 -5.00 115.64 110.67 1r0b s THR 64 Ca 0.02 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.78 1r0b s THR 64 Cb -0.01 -1.00 0.20 0.00 0.01 0.00 0.00 72.50 71.70 1r0b s THR 64 CO 0.91 0.00 1.49 0.12 -0.69 0.00 0.00 174.62 176.45 1r0b s PHE 65 N -0.33 -0.00 0.06 4.92 2.19 -1.26 -1.89 117.98 121.65 1r0b s PHE 65 Ca -0.03 0.01 -0.01 0.00 0.33 0.00 0.00 56.93 57.23 1r0b s PHE 65 Cb -0.03 0.47 -0.04 0.00 -1.31 0.00 0.00 43.02 42.11 1r0b s PHE 65 CO 0.03 -0.00 -0.03 -0.51 1.83 0.00 0.00 175.22 176.53 1r0b s LEU 66 N 0.06 2.49 0.97 6.12 1.43 -1.26 -5.06 118.68 123.43 1r0b s LEU 66 Ca 0.07 -1.00 -0.13 0.00 -1.03 0.00 0.00 54.13 52.04 1r0b s LEU 66 Cb -0.05 0.16 0.08 0.00 0.03 0.00 0.00 46.19 46.41 1r0b s LEU 66 CO -0.16 -0.58 0.54 -1.54 0.23 0.00 0.00 176.35 174.83 1r0b n SER 67 N 0.09 -1.62 -0.23 2.29 3.41 -1.26 -4.61 113.62 111.69 1r0b n SER 67 Ca -0.14 0.28 -0.06 0.00 -0.26 0.00 0.00 58.87 58.69 1r0b n SER 67 Cb 0.61 -1.24 -0.06 0.00 -0.26 0.00 0.00 64.21 63.27 1r0b n SER 67 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1r0b n GLU 68 N -2.39 -0.24 0.14 4.33 4.71 -1.26 -1.02 120.64 124.92 1r0b n GLU 68 Ca 0.07 1.15 0.00 0.00 -0.01 0.00 0.00 57.16 58.37 1r0b n GLU 68 Cb 0.54 -1.69 0.03 0.00 -1.01 0.00 0.00 31.44 29.30 1r0b n GLU 68 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1r0b n ASP 69 N -4.28 0.02 -0.10 1.62 9.92 -1.26 0.22 116.55 122.70 1r0b n ASP 69 Ca 0.01 0.24 -0.12 0.00 -0.53 0.00 0.00 54.79 54.39 1r0b n ASP 69 Cb 0.14 -0.04 -0.11 0.00 -0.64 0.00 0.00 41.12 40.47 1r0b n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r0b n GLN 70 N -1.66 0.83 0.01 -1.24 6.02 -0.18 -3.73 117.38 117.43 1r0b n GLN 70 Ca -0.00 0.07 -0.10 0.00 -0.01 0.00 0.00 57.00 56.96 1r0b n GLN 70 Cb 0.68 -1.43 -0.08 0.00 1.02 0.00 0.00 30.24 30.43 1r0b n GLN 70 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1r0b h VAL 71 N 0.00 0.98 0.00 5.09 3.04 0.27 -3.16 116.25 122.48 1r0b h VAL 71 Ca -0.47 -1.39 0.00 0.00 -1.01 0.00 0.00 66.70 63.83 1r0b h VAL 71 Cb 1.86 1.73 0.00 0.00 -2.01 0.00 0.00 31.29 32.87 1r0b h VAL 71 CO -0.03 0.28 0.00 0.47 -1.01 0.00 0.00 177.57 177.28 1r0b n ASP 72 N -4.83 0.11 0.20 3.17 8.00 0.17 -0.99 116.55 122.37 1r0b n ASP 72 Ca -0.07 0.54 0.14 0.00 0.71 0.00 0.00 54.79 56.11 1r0b n ASP 72 Cb 0.28 -0.56 0.46 0.00 -0.02 0.00 0.00 41.12 41.28 1r0b n ASP 72 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 1r0b h GLN 73 N 0.00 0.00 0.00 -1.24 3.07 -1.63 -3.04 115.11 112.27 1r0b h GLN 73 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.65 1r0b h GLN 73 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.62 1r0b h GLN 73 CO 0.00 0.00 -0.44 -0.07 0.09 0.00 0.00 178.83 178.41 1r0b h LEU 74 N 0.00 0.00 -0.88 0.06 3.38 -1.20 -3.34 115.31 113.32 1r0b h LEU 74 Ca 0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 1r0b h LEU 74 Cb 0.64 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.22 1r0b h LEU 74 CO 0.00 0.44 -0.14 0.00 0.09 0.00 0.00 178.44 178.83 1r0b h ALA 75 N 1.56 0.72 -0.96 1.53 0.00 -1.70 1.14 119.26 121.56 1r0b h ALA 75 Ca -0.00 0.33 0.19 0.00 0.00 0.00 0.00 54.91 55.43 1r0b h ALA 75 Cb 1.10 0.62 -0.11 0.00 0.00 0.00 0.00 17.79 19.40 1r0b h ALA 75 CO 0.06 -0.43 0.54 -0.07 0.00 0.00 0.00 179.25 179.35 1r0b h LEU 76 N 0.02 0.66 0.00 0.00 3.38 -1.82 -2.95 115.31 114.60 1r0b h LEU 76 Ca 0.45 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.53 1r0b h LEU 76 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1r0b h LEU 76 CO -0.88 0.21 -0.78 -1.22 0.09 0.00 0.00 178.44 175.86 1r0b n TYR 77 N -4.84 0.00 -3.43 1.13 4.02 -0.38 -4.82 117.16 108.84 1r0b n TYR 77 Ca 0.22 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.82 1r0b n TYR 77 Cb 0.57 -0.07 -0.07 0.00 -0.02 0.00 0.00 39.34 39.75 1r0b n TYR 77 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1r0b n ALA 78 N -1.43 4.14 -1.77 -0.72 0.00 0.38 -4.95 120.51 116.16 1r0b n ALA 78 Ca 0.01 -4.75 -0.38 0.00 0.00 0.00 0.00 53.44 48.32 1r0b n ALA 78 Cb 0.18 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1r0b n ALA 78 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1r0b s PRO 79 N -2.38 4.01 0.00 0.00 0.02 -1.25 -2.35 135.00 133.05 1r0b s PRO 79 Ca 0.37 1.75 0.00 0.00 0.02 0.00 0.00 61.00 63.14 1r0b s PRO 79 Cb 0.11 -2.59 0.00 0.00 0.02 0.00 0.00 34.50 32.04 1r0b s PRO 79 CO -0.02 -0.33 0.00 1.04 -0.33 0.00 0.00 177.00 177.36 1r0b n GLN 80 N -0.08 -1.29 -0.41 5.54 6.02 -1.26 -4.87 117.38 121.02 1r0b n GLN 80 Ca 0.05 0.32 -0.29 0.00 -0.01 0.00 0.00 57.00 57.07 1r0b n GLN 80 Cb 0.47 -4.43 0.27 0.00 1.02 0.00 0.00 30.24 27.58 1r0b n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1r0b n ALA 81 N 1.00 -4.62 -3.02 -1.58 0.00 -0.99 -4.83 120.51 106.47 1r0b n ALA 81 Ca 0.00 -1.50 0.03 0.00 0.00 0.00 0.00 53.44 51.96 1r0b n ALA 81 Cb 0.32 -0.13 -0.00 0.00 0.00 0.00 0.00 19.45 19.65 1r0b n ALA 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1r0b s THR 82 N -2.27 -0.55 0.00 0.00 2.01 -1.26 -4.77 115.64 108.81 1r0b s THR 82 Ca 0.65 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.65 1r0b s THR 82 Cb -0.10 -0.18 0.00 0.00 0.01 0.00 0.00 72.50 72.23 1r0b s THR 82 CO 0.54 0.00 0.00 0.55 -0.69 0.00 0.00 174.62 175.02 1r0b n VAL 83 N 4.40 0.00 0.00 3.82 3.14 -1.20 -1.42 118.33 127.06 1r0b n VAL 83 Ca 0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 1r0b n VAL 83 Cb 0.59 -0.60 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 1r0b n VAL 83 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1r0b n ASN 84 N -0.86 0.00 -4.75 6.55 5.15 -1.24 -4.53 115.26 115.59 1r0b n ASN 84 Ca 0.00 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.63 1r0b n ASN 84 Cb 0.00 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.30 1r0b n ASN 84 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1r0b s ARG 85 N 0.00 2.73 -0.29 1.20 3.52 -0.20 -1.27 118.95 124.64 1r0b s ARG 85 Ca 0.00 1.73 -0.21 0.00 -0.13 0.00 0.00 55.73 57.12 1r0b s ARG 85 Cb 0.00 -1.91 0.13 0.00 -1.56 0.00 0.00 34.95 31.61 1r0b s ARG 85 CO 0.00 -1.38 1.02 -1.50 -0.81 0.00 0.00 175.30 172.63 1r0b s ILE 86 N -1.83 0.00 0.07 4.11 2.07 -1.26 -2.23 121.20 122.12 1r0b s ILE 86 Ca 0.75 0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 59.79 1r0b s ILE 86 Cb -0.28 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.35 1r0b s ILE 86 CO 0.38 0.00 0.45 1.51 -1.91 0.00 0.00 174.94 175.37 1r0b s ASP 87 N 0.71 -0.33 -1.55 4.50 1.47 -0.66 -1.76 116.67 119.04 1r0b s ASP 87 Ca -0.02 -0.02 -0.13 0.00 1.18 0.00 0.00 52.55 53.56 1r0b s ASP 87 Cb -0.04 0.47 0.09 0.00 -0.34 0.00 0.00 42.92 43.09 1r0b s ASP 87 CO -0.10 -0.74 0.85 0.59 0.68 0.00 0.00 175.17 176.45 1r0b n ASN 88 N 0.26 -3.66 -0.19 2.11 4.13 -1.26 -0.29 115.26 116.37 1r0b n ASN 88 Ca -0.18 -0.87 -0.02 0.00 1.68 0.00 0.00 54.58 55.19 1r0b n ASN 88 Cb 0.61 -3.51 -0.01 0.00 -1.54 0.00 0.00 39.78 35.33 1r0b n ASN 88 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1r0b n TYR 89 N -4.54 -0.03 -5.27 3.10 4.02 -1.26 -4.92 117.16 108.26 1r0b n TYR 89 Ca -0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.57 1r0b n TYR 89 Cb 0.54 -1.83 -0.16 0.00 -0.02 0.00 0.00 39.34 37.87 1r0b n TYR 89 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1r0b s GLU 90 N -1.79 2.26 0.05 -0.72 2.02 0.60 0.14 118.70 121.27 1r0b s GLU 90 Ca 0.00 -0.90 -0.31 0.00 0.02 0.00 0.00 54.97 53.78 1r0b s GLU 90 Cb 0.00 -2.06 -0.06 0.00 0.10 0.00 0.00 34.13 32.11 1r0b s GLU 90 CO 0.00 0.47 1.26 0.14 0.02 0.00 0.00 175.26 177.15 1r0b s VAL 91 N -0.41 3.88 0.00 2.63 -7.23 -1.26 -1.65 120.40 116.36 1r0b s VAL 91 Ca 0.04 1.33 0.00 0.00 -1.81 0.00 0.00 61.98 61.54 1r0b s VAL 91 Cb -0.11 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 32.97 1r0b s VAL 91 CO 0.01 0.08 0.00 0.52 -0.31 0.00 0.00 175.10 175.40 1r0b n VAL 92 N 4.08 0.00 -3.54 1.32 0.31 -0.95 -4.96 118.33 114.60 1r0b n VAL 92 Ca 0.10 0.34 -0.33 0.00 -0.01 0.00 0.00 64.34 64.43 1r0b n VAL 92 Cb 0.45 -1.32 -0.05 0.00 -0.91 0.00 0.00 33.84 32.01 1r0b n VAL 92 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1r0b s GLY 93 N -2.70 2.31 -0.17 2.92 0.00 -1.24 -4.93 107.32 103.50 1r0b s GLY 93 Ca 0.00 -0.38 0.16 0.00 0.00 0.00 0.00 44.72 44.50 1r0b s GLY 93 CO 0.00 -0.21 1.23 1.17 0.00 0.00 0.00 173.10 175.29 1r0b n LYS 94 N 0.40 1.61 -1.47 2.90 4.81 -1.26 -1.03 118.16 124.11 1r0b n LYS 94 Ca -0.04 -2.86 -0.50 0.00 -0.87 0.00 0.00 58.31 54.04 1r0b n LYS 94 Cb 0.52 -1.60 -0.04 0.00 0.02 0.00 0.00 35.03 33.93 1r0b n LYS 94 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1r0b n SER 95 N -1.22 -0.30 -3.83 3.14 3.41 -1.26 -4.84 113.62 108.72 1r0b n SER 95 Ca 0.19 1.14 -0.24 0.00 -0.26 0.00 0.00 58.87 59.71 1r0b n SER 95 Cb 0.72 -1.03 -0.17 0.00 -0.26 0.00 0.00 64.21 63.46 1r0b n SER 95 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1r0b s ARG 96 N -0.82 0.95 0.44 4.33 0.52 -1.26 -3.25 118.95 119.86 1r0b s ARG 96 Ca 0.69 -0.04 -0.20 0.00 -0.52 0.00 0.00 55.73 55.66 1r0b s ARG 96 Cb -0.94 -1.16 -0.15 0.00 0.52 0.00 0.00 34.95 33.22 1r0b s ARG 96 CO 0.56 -0.26 0.13 -2.30 0.02 0.00 0.00 175.30 173.46 1r0b n PRO 97 N 4.92 0.12 -3.70 3.54 -0.02 -1.26 -4.94 135.00 133.65 1r0b n PRO 97 Ca -0.11 0.04 -0.14 0.00 -2.02 0.00 0.00 63.50 61.27 1r0b n PRO 97 Cb 0.50 -1.12 -0.14 0.00 -0.02 0.00 0.00 33.50 32.71 1r0b n PRO 97 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1r0b s SER 98 N -1.01 0.23 -0.16 2.55 1.04 -1.26 -4.89 113.70 110.21 1r0b s SER 98 Ca 0.60 0.41 -0.23 0.00 0.48 0.00 0.00 55.95 57.21 1r0b s SER 98 Cb -0.58 0.36 -0.10 0.00 0.10 0.00 0.00 66.02 65.79 1r0b s SER 98 CO 0.62 -0.20 0.72 0.18 0.98 0.00 0.00 173.24 175.55 1r0b n LEU 99 N 4.80 0.38 0.00 2.42 4.77 -1.26 -4.82 117.00 123.28 1r0b n LEU 99 Ca -0.15 0.61 -0.22 0.00 -0.03 0.00 0.00 56.01 56.22 1r0b n LEU 99 Cb 0.51 -0.47 0.14 0.00 -2.33 0.00 0.00 43.42 41.27 1r0b n LEU 99 CO 0.10 -0.66 0.62 -0.81 -1.33 0.00 0.00 177.39 175.30 1r0b n PRO 100 N 1.56 -0.68 -0.07 3.23 -0.05 -1.26 -5.03 135.00 132.70 1r0b n PRO 100 Ca 0.14 -1.82 -0.07 0.00 -0.05 0.00 0.00 63.50 61.69 1r0b n PRO 100 Cb -0.00 -0.91 -0.04 0.00 -0.05 0.00 0.00 33.50 32.50 1r0b n PRO 100 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 175.50 176.94 1r0b h GLU 101 N 0.00 0.00 -6.02 0.54 4.81 -1.91 -3.38 114.58 108.62 1r0b h GLU 101 Ca -0.32 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.38 1r0b h GLU 101 Cb 0.96 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.12 1r0b h GLU 101 CO 0.26 0.30 -0.82 1.03 -0.73 0.00 0.00 179.01 179.05 1r0b s ARG 102 N -2.05 1.07 -0.26 1.92 0.52 -1.26 0.32 118.95 119.22 1r0b s ARG 102 Ca -0.13 -1.13 0.00 0.00 -0.52 0.00 0.00 55.73 53.95 1r0b s ARG 102 Cb 0.01 -1.29 0.08 0.00 0.52 0.00 0.00 34.95 34.27 1r0b s ARG 102 CO 0.28 0.30 0.02 0.96 0.02 0.00 0.00 175.30 176.87 1r0b s ILE 103 N -1.21 1.25 0.29 1.52 -4.36 -1.08 -4.95 121.20 112.65 1r0b s ILE 103 Ca 0.05 -1.30 0.09 0.00 -0.26 0.00 0.00 60.65 59.23 1r0b s ILE 103 Cb -0.10 -1.73 -0.04 0.00 1.25 0.00 0.00 42.46 41.84 1r0b s ILE 103 CO 0.04 -0.36 0.06 -1.81 0.24 0.00 0.00 174.94 173.11 1r0b s ASP 104 N 1.48 4.66 0.00 4.36 1.01 -1.26 -3.01 116.67 123.92 1r0b s ASP 104 Ca 0.02 -0.65 0.00 0.00 0.71 0.00 0.00 52.55 52.62 1r0b s ASP 104 Cb -0.18 -0.86 0.00 0.00 1.01 0.00 0.00 42.92 42.89 1r0b s ASP 104 CO -0.12 -0.09 0.00 0.59 0.21 0.00 0.00 175.17 175.75 1r0b n ASN 105 N -0.99 0.00 -0.00 0.27 3.02 -0.12 -4.79 115.26 112.64 1r0b n ASN 105 Ca -0.06 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.52 1r0b n ASN 105 Cb 0.60 -0.83 -0.03 0.00 -0.61 0.00 0.00 39.78 38.91 1r0b n ASN 105 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1r0b n VAL 106 N -2.00 0.00 -3.27 2.41 0.24 -1.26 -4.90 118.33 109.55 1r0b n VAL 106 Ca 0.00 -0.11 -0.08 0.00 -2.04 0.00 0.00 64.34 62.11 1r0b n VAL 106 Cb 0.00 0.42 0.01 0.00 -1.47 0.00 0.00 33.84 32.81 1r0b n VAL 106 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1r0b n LEU 107 N -1.63 0.00 -3.61 1.34 4.77 -1.26 -4.22 117.00 112.38 1r0b n LEU 107 Ca -0.01 -0.94 -0.15 0.00 -0.03 0.00 0.00 56.01 54.88 1r0b n LEU 107 Cb 0.11 -0.10 -0.13 0.00 -2.33 0.00 0.00 43.42 40.97 1r0b n LEU 107 CO 0.09 -0.49 -0.17 -0.69 -1.33 0.00 0.00 177.39 174.80 1r0b s VAL 108 N -0.56 -0.37 0.02 4.08 1.01 -1.12 -4.68 120.40 118.78 1r0b s VAL 108 Ca 0.17 0.19 -0.31 0.00 0.00 0.00 0.00 61.98 62.04 1r0b s VAL 108 Cb -0.01 -0.48 -0.10 0.00 0.00 0.00 0.00 36.38 35.79 1r0b s VAL 108 CO 0.11 0.04 1.96 0.00 0.00 0.00 0.00 175.10 177.21 1r0b h PRO 110 N 10.28 -0.17 -5.57 0.00 0.11 -1.99 -3.41 132.00 131.24 1r0b h PRO 110 Ca -0.50 0.01 -0.65 0.00 0.11 0.00 0.00 66.00 64.98 1r0b h PRO 110 Cb 1.25 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.33 1r0b h PRO 110 CO 0.94 -0.11 1.51 -1.71 -0.21 0.00 0.00 178.00 178.42 1r0b n ASN 111 N -5.43 0.62 0.00 -2.05 4.05 -1.26 -4.77 115.26 106.42 1r0b n ASN 111 Ca 0.04 0.44 0.04 0.00 0.45 0.00 0.00 54.58 55.55 1r0b n ASN 111 Cb 0.35 -0.93 0.20 0.00 1.23 0.00 0.00 39.78 40.63 1r0b n ASN 111 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1r0b n SER 112 N 8.96 0.00 -0.10 1.20 3.41 -1.26 -2.17 113.62 123.65 1r0b n SER 112 Ca 0.59 0.02 -0.17 0.00 -0.26 0.00 0.00 58.87 59.06 1r0b n SER 112 Cb 0.01 -0.18 -0.13 0.00 -0.26 0.00 0.00 64.21 63.65 1r0b n SER 112 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1r0b n ASN 113 N -1.18 1.61 -3.88 4.04 2.85 -1.26 -4.99 115.26 112.45 1r0b n ASN 113 Ca 0.04 -0.05 -0.48 0.00 -0.11 0.00 0.00 54.58 53.98 1r0b n ASN 113 Cb 0.05 -0.21 -0.06 0.00 1.24 0.00 0.00 39.78 40.80 1r0b n ASN 113 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1r0b h ILE 115 N 2.07 1.21 0.00 0.00 2.04 -1.94 -2.86 117.51 118.02 1r0b h ILE 115 Ca -0.38 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1r0b h ILE 115 Cb 1.24 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1r0b h ILE 115 CO 0.54 0.21 0.83 -1.54 0.00 0.00 0.00 178.15 178.19 1r0b n SER 116 N -4.41 0.00 0.03 1.72 3.41 -1.26 0.18 113.62 113.28 1r0b n SER 116 Ca 0.10 0.40 -0.17 0.00 -0.26 0.00 0.00 58.87 58.94 1r0b n SER 116 Cb 0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.84 1r0b n SER 116 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1r0b h HIS 117 N 0.00 0.38 0.00 7.33 3.86 -1.85 -3.39 115.15 121.48 1r0b h HIS 117 Ca 0.00 -0.28 -0.02 0.00 -1.16 0.00 0.00 60.37 58.92 1r0b h HIS 117 Cb 1.66 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 30.12 1r0b h HIS 117 CO 0.00 1.45 -0.80 0.00 0.86 0.00 0.00 177.93 179.44 1r0b h ALA 118 N 0.44 0.62 -0.92 2.45 0.00 0.16 -3.48 119.26 118.54 1r0b h ALA 118 Ca -0.32 -0.08 -0.66 0.00 0.00 0.00 0.00 54.91 53.85 1r0b h ALA 118 Cb 2.03 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 19.71 1r0b h ALA 118 CO 0.12 0.09 -0.55 -1.21 0.00 0.00 0.00 179.25 177.70 1r0b s GLU 119 N -3.29 2.09 0.28 0.00 0.41 -0.87 -5.06 118.70 112.28 1r0b s GLU 119 Ca 0.01 -2.28 -0.01 0.00 -0.41 0.00 0.00 54.97 52.29 1r0b s GLU 119 Cb 0.08 -1.56 0.47 0.00 -1.78 0.00 0.00 34.13 31.34 1r0b s GLU 119 CO 0.76 -0.23 1.90 -1.35 -0.49 0.00 0.00 175.26 175.85 1r0b h PRO 120 N 1.53 1.08 -5.31 0.39 0.11 -1.91 -3.45 132.00 124.44 1r0b h PRO 120 Ca -0.44 -0.06 -0.57 0.00 0.11 0.00 0.00 66.00 65.03 1r0b h PRO 120 Cb 1.28 -0.24 0.12 0.00 0.11 0.00 0.00 31.00 32.27 1r0b h PRO 120 CO 0.77 0.71 -0.66 1.33 -0.21 0.00 0.00 178.00 179.94 1r0b n VAL 121 N -4.50 1.16 -3.69 3.15 0.24 -1.26 -4.94 118.33 108.49 1r0b n VAL 121 Ca 0.15 -0.44 -0.36 0.00 -2.04 0.00 0.00 64.34 61.65 1r0b n VAL 121 Cb 0.19 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.49 1r0b n VAL 121 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1r0b s SER 122 N -0.89 6.31 0.94 -1.34 1.04 -1.26 -4.87 113.70 113.63 1r0b s SER 122 Ca 0.55 0.35 -0.16 0.00 0.48 0.00 0.00 55.95 57.16 1r0b s SER 122 Cb -0.69 -2.12 -0.11 0.00 0.10 0.00 0.00 66.02 63.20 1r0b s SER 122 CO 0.53 0.19 -0.47 -1.54 0.98 0.00 0.00 173.24 172.92 1r0b n SER 123 N 3.33 -4.93 -3.63 7.02 3.41 -1.26 -4.56 113.62 113.00 1r0b n SER 123 Ca -0.15 0.26 -0.03 0.00 -0.26 0.00 0.00 58.87 58.70 1r0b n SER 123 Cb 0.52 -0.87 -0.06 0.00 -0.26 0.00 0.00 64.21 63.54 1r0b n SER 123 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1r0b s SER 124 N -1.21 -0.57 0.37 4.04 0.15 -1.26 -0.95 113.70 114.27 1r0b s SER 124 Ca 0.46 0.90 0.04 0.00 0.70 0.00 0.00 55.95 58.04 1r0b s SER 124 Cb -0.22 1.28 -0.05 0.00 -1.71 0.00 0.00 66.02 65.32 1r0b s SER 124 CO 0.78 -0.14 0.06 -0.36 1.20 0.00 0.00 173.24 174.78 1r0b s PHE 125 N 1.48 2.00 -0.06 3.44 0.40 -1.16 -0.96 117.98 123.13 1r0b s PHE 125 Ca -0.09 -0.98 0.02 0.00 -0.60 0.00 0.00 56.93 55.29 1r0b s PHE 125 Cb -0.04 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 42.10 1r0b s PHE 125 CO -0.16 0.04 -0.10 0.00 0.70 0.00 0.00 175.22 175.70 1r0b s ALA 126 N -3.15 2.86 -0.30 5.36 0.00 0.91 -2.65 121.76 124.79 1r0b s ALA 126 Ca 0.31 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 51.18 1r0b s ALA 126 Cb 0.07 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 1r0b s ALA 126 CO 0.15 0.57 0.38 0.08 0.00 0.00 0.00 175.76 176.93 1r0b s VAL 127 N -0.79 5.16 0.07 0.00 1.01 0.95 -2.55 120.40 124.24 1r0b s VAL 127 Ca 0.12 0.36 0.06 0.00 0.00 0.00 0.00 61.98 62.52 1r0b s VAL 127 Cb -0.11 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1r0b s VAL 127 CO 0.01 0.04 -0.18 -0.60 0.00 0.00 0.00 175.10 174.38 1r0b s ARG 128 N 2.08 1.05 -0.94 2.72 3.00 -0.64 -4.83 118.95 121.39 1r0b s ARG 128 Ca 0.14 -0.97 -0.01 0.00 -1.00 0.00 0.00 55.73 53.89 1r0b s ARG 128 Cb -0.16 -1.16 0.28 0.00 0.00 0.00 0.00 34.95 33.91 1r0b s ARG 128 CO 0.11 0.28 1.16 1.17 0.00 0.00 0.00 175.30 178.02 1r0b n LYS 129 N 1.47 3.63 -1.52 5.12 3.00 -1.26 -1.74 118.16 126.86 1r0b n LYS 129 Ca -0.19 -4.57 -0.39 0.00 -0.00 0.00 0.00 58.31 53.15 1r0b n LYS 129 Cb 0.54 -2.43 0.03 0.00 0.00 0.00 0.00 35.03 33.17 1r0b n LYS 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1r0b n ARG 130 N 1.41 0.74 -2.49 1.64 1.74 -0.78 -4.82 116.66 114.10 1r0b n ARG 130 Ca 0.26 0.28 -0.43 0.00 -0.77 0.00 0.00 57.85 57.19 1r0b n ARG 130 Cb 0.36 -1.83 -0.02 0.00 -1.02 0.00 0.00 32.46 29.95 1r0b n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1r0b s ALA 131 N -1.57 3.65 0.00 7.54 0.00 -1.26 -2.87 121.76 127.25 1r0b s ALA 131 Ca 0.68 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1r0b s ALA 131 Cb -0.48 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.02 1r0b s ALA 131 CO 0.54 -1.19 0.00 -1.71 0.00 0.00 0.00 175.76 173.40 1r0b n ASN 132 N 6.61 -1.29 0.00 0.00 5.15 -1.26 -5.02 115.26 119.45 1r0b n ASN 132 Ca 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.11 1r0b n ASN 132 Cb 0.45 -0.21 0.00 0.00 -0.53 0.00 0.00 39.78 39.49 1r0b n ASN 132 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1r0b n ASP 133 N 0.85 0.00 -4.60 1.20 5.75 -1.14 -5.17 116.55 113.44 1r0b n ASP 133 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 54.49 1r0b n ASP 133 Cb 0.00 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.00 1r0b n ASP 133 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1r0b s ILE 134 N -2.00 3.47 -0.03 2.12 1.01 -1.26 -1.87 121.20 122.64 1r0b s ILE 134 Ca 0.00 -1.33 0.07 0.00 0.00 0.00 0.00 60.65 59.38 1r0b s ILE 134 Cb 0.00 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 1r0b s ILE 134 CO 0.00 0.03 -0.23 0.00 0.00 0.00 0.00 174.94 174.74 1r0b s ALA 135 N -1.40 1.97 -0.19 9.38 0.00 -0.71 -2.00 121.76 128.81 1r0b s ALA 135 Ca 0.24 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1r0b s ALA 135 Cb -0.10 -0.54 0.04 0.00 0.00 0.00 0.00 23.12 22.52 1r0b s ALA 135 CO 0.15 0.45 -0.11 -0.51 0.00 0.00 0.00 175.76 175.75 1r0b s LEU 136 N -0.41 2.15 -0.17 0.00 1.43 -0.79 -1.62 118.68 119.27 1r0b s LEU 136 Ca 0.05 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.23 1r0b s LEU 136 Cb -0.10 -1.21 -0.05 0.00 0.03 0.00 0.00 46.19 44.86 1r0b s LEU 136 CO 0.00 -0.13 0.19 -0.75 0.23 0.00 0.00 176.35 175.89 1r0b s LYS 137 N 1.42 4.07 1.04 1.70 2.20 -1.06 -1.66 119.74 127.46 1r0b s LYS 137 Ca -0.00 -0.09 -0.12 0.00 -0.36 0.00 0.00 55.97 55.40 1r0b s LYS 137 Cb -0.16 -3.37 0.21 0.00 -1.51 0.00 0.00 37.83 33.00 1r0b s LYS 137 CO -0.09 0.38 1.07 0.00 -0.36 0.00 0.00 175.35 176.36 1r0b n LYS 139 N -4.44 0.65 0.00 0.00 4.81 -0.13 -4.29 118.16 114.75 1r0b n LYS 139 Ca 0.05 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1r0b n LYS 139 Cb 0.55 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 33.99 1r0b n LYS 139 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1r0b n TYR 140 N -3.81 0.00 -2.80 5.64 4.02 -1.26 -4.56 117.16 114.39 1r0b n TYR 140 Ca -0.41 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.04 1r0b n TYR 140 Cb 0.91 -0.13 -0.01 0.00 -0.02 0.00 0.00 39.34 40.09 1r0b n TYR 140 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1r0b n GLU 142 N 7.08 0.00 -4.33 0.00 0.28 -1.26 -4.09 120.64 118.32 1r0b n GLU 142 Ca 0.34 -0.56 -0.29 0.00 -0.16 0.00 0.00 57.16 56.49 1r0b n GLU 142 Cb 0.47 -1.97 -0.11 0.00 1.43 0.00 0.00 31.44 31.26 1r0b n GLU 142 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1r0b s LYS 143 N 5.02 1.79 0.10 3.44 1.02 -1.26 -4.74 119.74 125.10 1r0b s LYS 143 Ca 0.22 -1.17 -0.04 0.00 0.02 0.00 0.00 55.97 55.00 1r0b s LYS 143 Cb 0.05 -2.11 -0.05 0.00 -0.52 0.00 0.00 37.83 35.20 1r0b s LYS 143 CO 0.11 0.48 0.31 -1.21 -0.92 0.00 0.00 175.35 174.13 1r0b s GLU 144 N -2.10 3.56 -0.01 1.68 2.02 -1.26 -1.95 118.70 120.65 1r0b s GLU 144 Ca 0.18 -0.18 -0.02 0.00 0.02 0.00 0.00 54.97 54.96 1r0b s GLU 144 Cb -0.11 -2.94 -0.00 0.00 0.10 0.00 0.00 34.13 31.18 1r0b s GLU 144 CO 0.10 0.54 0.05 -0.06 0.02 0.00 0.00 175.26 175.90 1r0b s PHE 145 N -1.55 0.05 0.11 1.61 0.08 -0.66 -4.91 117.98 112.70 1r0b s PHE 145 Ca 0.37 -0.09 -0.31 0.00 0.12 0.00 0.00 56.93 57.02 1r0b s PHE 145 Cb -0.13 -0.05 -0.08 0.00 -0.57 0.00 0.00 43.02 42.20 1r0b s PHE 145 CO 0.24 -0.12 1.39 0.45 -0.10 0.00 0.00 175.22 177.08 1r0b s SER 146 N -0.63 6.83 0.47 1.36 0.15 -1.26 -1.89 113.70 118.73 1r0b s SER 146 Ca -0.07 2.31 0.40 0.00 0.70 0.00 0.00 55.95 59.29 1r0b s SER 146 Cb -0.04 -2.58 1.49 0.00 -1.71 0.00 0.00 66.02 63.17 1r0b s SER 146 CO 0.00 -0.66 1.40 0.00 1.20 0.00 0.00 173.24 175.18 1r0b n HIS 147 N 4.06 0.20 0.36 3.44 1.44 -0.85 -0.41 115.22 123.46 1r0b n HIS 147 Ca 0.12 0.21 -0.03 0.00 -2.01 0.00 0.00 57.72 56.00 1r0b n HIS 147 Cb 0.42 -0.64 0.02 0.00 0.12 0.00 0.00 29.99 29.91 1r0b n HIS 147 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1r0b n ASN 148 N -3.97 3.82 0.00 4.39 2.85 -1.26 -3.06 115.26 118.03 1r0b n ASN 148 Ca 0.39 -2.30 0.00 0.00 -0.11 0.00 0.00 54.58 52.56 1r0b n ASN 148 Cb 1.68 -0.70 0.00 0.00 1.24 0.00 0.00 39.78 42.00 1r0b n ASN 148 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1r0b n VAL 149 N 0.57 0.00 -2.99 3.44 0.31 0.45 -5.10 118.33 115.02 1r0b n VAL 149 Ca 0.07 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.07 1r0b n VAL 149 Cb 0.60 0.79 -0.06 0.00 -0.91 0.00 0.00 33.84 34.26 1r0b n VAL 149 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1r0b s VAL 150 N 0.00 4.52 0.44 2.52 -7.23 -1.17 -4.75 120.40 114.73 1r0b s VAL 150 Ca 0.00 1.26 0.08 0.00 -1.81 0.00 0.00 61.98 61.51 1r0b s VAL 150 Cb 0.00 -3.66 0.01 0.00 0.56 0.00 0.00 36.38 33.29 1r0b s VAL 150 CO 0.00 -0.17 0.52 -0.22 -0.31 0.00 0.00 175.10 174.92 1r0b s LEU 151 N -2.88 3.46 0.00 1.32 2.96 -1.25 -4.94 118.68 117.35 1r0b s LEU 151 Ca 0.56 -0.62 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1r0b s LEU 151 Cb -0.11 -2.26 0.00 0.00 0.50 0.00 0.00 46.19 44.32 1r0b s LEU 151 CO 0.17 -0.81 0.00 0.00 -1.32 0.00 0.00 176.35 174.39 1r0b n ALA 152 N -1.79 0.49 0.00 5.97 0.00 -1.26 -2.78 120.51 121.15 1r0b n ALA 152 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1r0b n ALA 152 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1r0b n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79