#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1h s ALA 2 N 0.00 3.02 0.96 -5.12 0.00 -1.26 -5.10 121.76 114.26 1j1h s ALA 2 Ca 0.00 -3.29 -0.15 0.00 0.00 0.00 0.00 51.96 48.52 1j1h s ALA 2 Cb 0.00 -2.02 0.18 0.00 0.00 0.00 0.00 23.12 21.28 1j1h s ALA 2 CO 0.00 -2.06 1.24 -1.25 0.00 0.00 0.00 175.76 173.69 1j1h s PRO 3 N -0.68 0.73 0.07 0.00 0.04 -1.26 -5.00 135.00 128.90 1j1h s PRO 3 Ca 0.24 -0.16 -0.23 0.00 0.04 0.00 0.00 61.00 60.88 1j1h s PRO 3 Cb -0.10 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 1j1h s PRO 3 CO -0.11 -2.39 0.69 0.14 0.04 0.00 0.00 177.00 175.37 1j1h s VAL 4 N -3.63 4.68 0.42 -0.36 -7.23 -1.26 -4.92 120.40 108.10 1j1h s VAL 4 Ca 0.70 1.49 0.00 0.00 -1.81 0.00 0.00 61.98 62.35 1j1h s VAL 4 Cb -0.08 -4.04 0.00 0.00 0.56 0.00 0.00 36.38 32.82 1j1h s VAL 4 CO 0.53 0.45 0.00 0.18 -0.31 0.00 0.00 175.10 175.95 1j1h n LEU 5 N 2.28 -1.24 -4.01 1.32 4.77 -1.23 -4.26 117.00 114.63 1j1h n LEU 5 Ca -0.06 2.05 -0.08 0.00 -0.03 0.00 0.00 56.01 57.89 1j1h n LEU 5 Cb 0.50 -2.73 -0.11 0.00 -2.33 0.00 0.00 43.42 38.76 1j1h n LEU 5 CO 0.45 -0.49 -0.36 -1.83 -1.33 0.00 0.00 177.39 173.83 1j1h s GLU 6 N -4.84 0.40 -1.27 3.23 1.03 -1.26 -4.32 118.70 111.67 1j1h s GLU 6 Ca 0.00 -0.79 -0.17 0.00 0.03 0.00 0.00 54.97 54.04 1j1h s GLU 6 Cb 0.00 0.14 0.10 0.00 -0.80 0.00 0.00 34.13 33.57 1j1h s GLU 6 CO 0.00 -0.07 1.65 0.27 -1.33 0.00 0.00 175.26 175.78 1j1h n ASN 7 N 1.16 5.03 0.06 0.83 6.94 0.25 -4.47 115.26 125.05 1j1h n ASN 7 Ca -0.21 -2.94 -0.20 0.00 -0.02 0.00 0.00 54.58 51.21 1j1h n ASN 7 Cb 0.57 -1.69 -0.14 0.00 -2.36 0.00 0.00 39.78 36.16 1j1h n ASN 7 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 1j1h h ARG 8 N 7.42 0.42 -0.58 -3.83 2.43 -1.78 -3.29 114.38 115.17 1j1h h ARG 8 Ca 0.41 -0.60 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 1j1h h ARG 8 Cb 0.87 0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1j1h h ARG 8 CO 1.39 1.26 0.33 -0.09 -1.51 0.00 0.00 179.97 181.35 1j1h h ARG 9 N -0.13 0.79 0.08 0.20 2.43 -1.85 0.39 114.38 116.29 1j1h h ARG 9 Ca -0.15 -0.07 -0.30 0.00 -0.81 0.00 0.00 59.98 58.65 1j1h h ARG 9 Cb 1.67 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 31.03 1j1h h ARG 9 CO 0.17 0.57 -1.60 0.00 -1.51 0.00 0.00 179.97 177.61 1j1h h ALA 10 N 1.56 0.32 0.00 2.80 0.00 -1.74 0.44 119.26 122.64 1j1h h ALA 10 Ca 0.21 -1.26 -0.10 0.00 0.00 0.00 0.00 54.91 53.76 1j1h h ALA 10 Cb -0.00 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1j1h h ALA 10 CO -0.04 0.98 -0.48 -0.09 0.00 0.00 0.00 179.25 179.62 1j1h h ARG 11 N -0.41 0.00 0.07 0.00 1.12 -1.63 -1.83 114.38 111.69 1j1h h ARG 11 Ca -0.37 0.00 -0.38 0.00 -1.11 0.00 0.00 59.98 58.12 1j1h h ARG 11 Cb 1.70 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 31.62 1j1h h ARG 11 CO -0.03 0.48 -2.21 1.58 -3.11 0.00 0.00 179.97 176.68 1j1h n HIS 12 N -3.82 0.67 -0.04 2.20 -0.00 0.13 -4.79 115.22 109.57 1j1h n HIS 12 Ca -0.01 0.15 -0.05 0.00 0.46 0.00 0.00 57.72 58.27 1j1h n HIS 12 Cb 0.52 -1.09 -0.05 0.00 -0.12 0.00 0.00 29.99 29.25 1j1h n HIS 12 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1j1h n ASP 13 N -3.42 3.22 -3.83 0.26 -0.08 0.12 -5.01 116.55 107.80 1j1h n ASP 13 Ca -0.39 -0.02 -0.10 0.00 -1.51 0.00 0.00 54.79 52.77 1j1h n ASP 13 Cb 1.01 0.32 -0.08 0.00 2.34 0.00 0.00 41.12 44.71 1j1h n ASP 13 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1j1h s TYR 14 N -2.18 0.04 -0.03 -0.67 6.14 0.81 -4.92 117.35 116.54 1j1h s TYR 14 Ca -0.08 -0.30 -0.26 0.00 0.64 0.00 0.00 57.07 57.07 1j1h s TYR 14 Cb 0.03 -0.01 -0.04 0.00 0.42 0.00 0.00 41.96 42.36 1j1h s TYR 14 CO 0.27 -0.47 0.83 -2.00 0.64 0.00 0.00 175.55 174.81 1j1h s GLU 15 N -2.86 4.50 -0.19 4.97 2.12 -1.26 -4.07 118.70 121.90 1j1h s GLU 15 Ca -0.03 1.13 -0.22 0.00 0.36 0.00 0.00 54.97 56.22 1j1h s GLU 15 Cb 0.00 -3.45 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 1j1h s GLU 15 CO -0.05 0.04 0.69 0.42 -0.54 0.00 0.00 175.26 175.81 1j1h s ILE 16 N 0.81 4.98 0.00 -3.70 -1.09 -1.26 -4.39 121.20 116.55 1j1h s ILE 16 Ca 0.44 1.31 0.00 0.00 -2.23 0.00 0.00 60.65 60.17 1j1h s ILE 16 Cb -0.19 -4.00 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 1j1h s ILE 16 CO 0.23 0.08 0.30 -0.11 -1.23 0.00 0.00 174.94 174.21 1j1h n LEU 17 N 5.16 0.33 -4.82 2.97 0.00 0.34 -4.88 117.00 116.11 1j1h n LEU 17 Ca 0.00 0.58 -0.29 0.00 0.00 0.00 0.00 56.01 56.31 1j1h n LEU 17 Cb 0.49 -0.42 -0.05 0.00 0.00 0.00 0.00 43.42 43.44 1j1h n LEU 17 CO 0.45 -0.42 -0.22 -0.70 0.00 0.00 0.00 177.39 176.50 1j1h s GLU 18 N -1.43 3.00 0.06 1.96 2.56 -1.20 -4.90 118.70 118.75 1j1h s GLU 18 Ca 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 54.97 54.27 1j1h s GLU 18 Cb 0.00 -2.75 -0.03 0.00 2.00 0.00 0.00 34.13 33.34 1j1h s GLU 18 CO 0.00 0.54 -0.06 0.95 -0.56 0.00 0.00 175.26 176.12 1j1h s THR 19 N -1.56 0.51 0.04 -1.70 -4.23 -1.26 -1.00 115.64 106.44 1j1h s THR 19 Ca 0.31 -1.41 -0.02 0.00 -1.18 0.00 0.00 61.69 59.40 1j1h s THR 19 Cb -0.11 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.70 1j1h s THR 19 CO 0.24 -0.61 0.00 -0.72 -0.54 0.00 0.00 174.62 172.99 1j1h s TYR 20 N -2.36 0.38 -0.23 3.99 -0.85 -1.14 -4.53 117.35 112.61 1j1h s TYR 20 Ca -0.02 -0.81 0.00 0.00 -0.52 0.00 0.00 57.07 55.72 1j1h s TYR 20 Cb -0.03 -0.28 0.03 0.00 0.38 0.00 0.00 41.96 42.06 1j1h s TYR 20 CO -0.02 -0.33 -0.11 -2.00 -1.52 0.00 0.00 175.55 171.56 1j1h s GLU 21 N -3.04 2.77 0.36 -3.49 -6.30 -1.26 -1.50 118.70 106.24 1j1h s GLU 21 Ca -0.01 -1.00 0.08 0.00 -2.50 0.00 0.00 54.97 51.54 1j1h s GLU 21 Cb 0.02 -2.84 -0.05 0.00 0.00 0.00 0.00 34.13 31.26 1j1h s GLU 21 CO -0.07 -0.37 0.14 0.00 0.02 0.00 0.00 175.26 174.98 1j1h s ALA 22 N 1.27 3.49 -0.38 6.30 0.00 -0.64 -4.24 121.76 127.55 1j1h s ALA 22 Ca -0.00 -1.91 0.03 0.00 0.00 0.00 0.00 51.96 50.08 1j1h s ALA 22 Cb -0.16 -0.61 0.11 0.00 0.00 0.00 0.00 23.12 22.46 1j1h s ALA 22 CO -0.07 -0.01 0.12 0.20 0.00 0.00 0.00 175.76 175.99 1j1h s GLY 23 N -3.85 1.84 -0.34 0.00 0.00 0.09 -2.40 107.32 102.66 1j1h s GLY 23 Ca 0.38 -2.52 -0.14 0.00 0.00 0.00 0.00 44.72 42.44 1j1h s GLY 23 CO 0.22 1.14 0.33 -0.42 0.00 0.00 0.00 173.10 174.37 1j1h s ILE 24 N 0.76 5.20 0.30 0.90 1.09 -0.44 -3.96 121.20 125.06 1j1h s ILE 24 Ca 0.13 -0.02 0.03 0.00 -1.10 0.00 0.00 60.65 59.69 1j1h s ILE 24 Cb -0.20 -3.79 -0.03 0.00 -1.06 0.00 0.00 42.46 37.38 1j1h s ILE 24 CO -0.09 -0.06 0.46 0.00 -0.10 0.00 0.00 174.94 175.14 1j1h s ALA 25 N 1.93 3.88 0.18 9.38 0.00 -1.25 -0.28 121.76 135.60 1j1h s ALA 25 Ca 0.10 -1.14 0.10 0.00 0.00 0.00 0.00 51.96 51.03 1j1h s ALA 25 Cb -0.17 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 1j1h s ALA 25 CO 0.11 0.07 -0.22 -0.48 0.00 0.00 0.00 175.76 175.24 1j1h s LEU 26 N -4.16 2.42 0.00 0.00 2.34 -1.26 -4.95 118.68 113.08 1j1h s LEU 26 Ca 0.38 -0.85 -0.08 0.00 0.06 0.00 0.00 54.13 53.64 1j1h s LEU 26 Cb -0.09 -1.06 0.10 0.00 -0.56 0.00 0.00 46.19 44.58 1j1h s LEU 26 CO 0.32 0.08 0.60 0.29 -1.06 0.00 0.00 176.35 176.58 1j1h n LYS 27 N 0.34 -0.68 -0.16 1.48 4.76 -1.26 -4.57 118.16 118.07 1j1h n LYS 27 Ca -0.13 -0.92 -0.08 0.00 -2.87 0.00 0.00 58.31 54.31 1j1h n LYS 27 Cb 0.56 -0.63 0.01 0.00 -1.84 0.00 0.00 35.03 33.13 1j1h n LYS 27 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1j1h h GLY 28 N -0.84 0.69 1.20 0.72 0.00 -2.01 -2.56 103.07 100.28 1j1h h GLY 28 Ca -0.19 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1j1h h GLY 28 CO 0.14 0.29 -0.43 -1.30 0.00 0.00 0.00 176.54 175.24 1j1h n THR 29 N -4.69 0.06 0.06 4.70 -2.24 -1.26 -3.55 114.28 107.36 1j1h n THR 29 Ca 0.02 -0.04 0.13 0.00 -2.27 0.00 0.00 64.05 61.88 1j1h n THR 29 Cb 0.07 0.06 0.61 0.00 -2.10 0.00 0.00 70.33 68.97 1j1h n THR 29 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1j1h h GLU 30 N 0.00 0.13 -0.06 -0.78 4.39 -1.78 0.26 114.58 116.73 1j1h h GLU 30 Ca 0.00 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.55 1j1h h GLU 30 Cb 0.54 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1j1h h GLU 30 CO 0.00 0.08 -0.61 0.28 -1.16 0.00 0.00 179.01 177.61 1j1h h VAL 31 N 0.13 1.39 -0.06 3.13 2.07 -1.62 0.36 116.25 121.65 1j1h h VAL 31 Ca 0.17 -2.00 -0.05 0.00 0.82 0.00 0.00 66.70 65.64 1j1h h VAL 31 Cb 0.51 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1j1h h VAL 31 CO -0.02 0.59 -0.15 0.11 0.02 0.00 0.00 177.57 178.11 1j1h h LYS 32 N 0.15 0.22 -0.22 1.57 1.57 -0.74 0.49 116.57 119.62 1j1h h LYS 32 Ca -0.01 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 1j1h h LYS 32 Cb 1.11 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1j1h h LYS 32 CO 0.09 0.75 -0.45 0.77 -0.57 0.00 0.00 179.45 180.04 1j1h h SER 33 N -0.28 0.59 -0.07 0.86 0.02 -1.33 1.28 113.55 114.62 1j1h h SER 33 Ca -0.00 -0.28 -0.10 0.00 -0.84 0.00 0.00 61.79 60.57 1j1h h SER 33 Cb 0.75 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1j1h h SER 33 CO 0.03 0.96 -0.36 0.25 -1.14 0.00 0.00 176.83 176.57 1j1h h LEU 34 N 0.44 0.44 -1.02 5.07 7.12 -0.29 2.77 115.31 129.84 1j1h h LEU 34 Ca 0.03 -0.65 -0.04 0.00 0.13 0.00 0.00 57.88 57.34 1j1h h LEU 34 Cb 0.96 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.96 1j1h h LEU 34 CO 0.09 1.02 -0.21 -0.09 -0.13 0.00 0.00 178.44 179.12 1j1h h ARG 35 N -0.12 0.00 -0.43 1.25 1.12 0.04 -1.63 114.38 114.62 1j1h h ARG 35 Ca -0.02 0.00 -0.14 0.00 -1.11 0.00 0.00 59.98 58.70 1j1h h ARG 35 Cb 1.01 0.00 -0.09 0.00 -0.01 0.00 0.00 29.97 30.89 1j1h h ARG 35 CO 0.07 0.21 0.06 0.00 -3.11 0.00 0.00 179.97 177.21 1j1h n ALA 36 N -2.20 3.95 -2.49 2.80 0.00 0.44 -4.71 120.51 118.29 1j1h n ALA 36 Ca 0.00 -2.69 -0.33 0.00 0.00 0.00 0.00 53.44 50.43 1j1h n ALA 36 Cb 0.44 -0.86 -0.13 0.00 0.00 0.00 0.00 19.45 18.90 1j1h n ALA 36 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1j1h s GLY 37 N -1.99 1.56 -0.21 0.00 0.00 0.93 -4.66 107.32 102.95 1j1h s GLY 37 Ca 0.46 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 44.22 1j1h s GLY 37 CO 0.06 -0.77 -0.16 1.25 0.00 0.00 0.00 173.10 173.48 1j1h s LYS 38 N -0.79 2.72 0.18 2.90 2.20 -0.41 -3.55 119.74 122.99 1j1h s LYS 38 Ca 0.12 -1.02 0.08 0.00 -0.36 0.00 0.00 55.97 54.79 1j1h s LYS 38 Cb -0.11 -2.69 -0.04 0.00 -1.51 0.00 0.00 37.83 33.48 1j1h s LYS 38 CO 0.01 -0.34 -0.06 0.54 -0.36 0.00 0.00 175.35 175.14 1j1h s VAL 39 N 1.22 3.39 -0.52 4.02 0.11 -1.26 -0.70 120.40 126.67 1j1h s VAL 39 Ca -0.00 -1.56 -0.25 0.00 -2.93 0.00 0.00 61.98 57.24 1j1h s VAL 39 Cb -0.16 -2.68 0.03 0.00 -1.53 0.00 0.00 36.38 32.04 1j1h s VAL 39 CO -0.10 -0.10 0.95 -0.62 -3.33 0.00 0.00 175.10 171.90 1j1h s ASP 40 N -2.85 6.41 -0.41 3.54 2.15 -1.03 -4.72 116.67 119.76 1j1h s ASP 40 Ca 0.26 -0.14 -0.15 0.00 0.43 0.00 0.00 52.55 52.95 1j1h s ASP 40 Cb -0.09 -2.45 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 1j1h s ASP 40 CO 0.16 -1.17 0.31 -0.36 -0.17 0.00 0.00 175.17 173.94 1j1h s PHE 41 N 3.94 3.23 0.00 -5.34 0.40 -1.26 -4.49 117.98 114.46 1j1h s PHE 41 Ca 0.34 -0.55 0.00 0.00 -0.60 0.00 0.00 56.93 56.12 1j1h s PHE 41 Cb -0.11 -2.61 0.00 0.00 0.51 0.00 0.00 43.02 40.81 1j1h s PHE 41 CO 0.22 -0.59 0.00 -2.37 0.70 0.00 0.00 175.22 173.19 1j1h n THR 42 N 5.18 0.00 -2.39 0.64 5.66 -1.26 -3.12 114.28 118.99 1j1h n THR 42 Ca -0.11 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.80 1j1h n THR 42 Cb 0.47 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.25 1j1h n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j1h n GLY 43 N -1.99 -0.42 3.99 1.09 0.00 -1.26 -4.87 105.19 101.73 1j1h n GLY 43 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1j1h n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j1h s SER 44 N -2.00 5.13 0.05 1.61 0.15 -1.26 -4.89 113.70 112.48 1j1h s SER 44 Ca 0.00 -0.82 -0.11 0.00 0.70 0.00 0.00 55.95 55.72 1j1h s SER 44 Cb 0.00 0.03 0.01 0.00 -1.71 0.00 0.00 66.02 64.35 1j1h s SER 44 CO 0.00 -1.11 0.25 -0.36 1.20 0.00 0.00 173.24 173.22 1j1h s PHE 45 N -2.60 -0.01 0.02 3.44 0.40 -1.26 -4.74 117.98 113.23 1j1h s PHE 45 Ca 0.54 -0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.68 1j1h s PHE 45 Cb -0.06 0.03 -0.01 0.00 0.51 0.00 0.00 43.02 43.49 1j1h s PHE 45 CO 0.33 -0.48 -0.04 0.00 0.70 0.00 0.00 175.22 175.73 1j1h s ALA 46 N -2.75 0.31 0.08 5.36 0.00 -1.10 -0.59 121.76 123.07 1j1h s ALA 46 Ca -0.04 -0.44 0.05 0.00 0.00 0.00 0.00 51.96 51.54 1j1h s ALA 46 Cb -0.00 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1j1h s ALA 46 CO -0.05 -0.02 -0.06 0.50 0.00 0.00 0.00 175.76 176.14 1j1h s ARG 47 N -0.88 2.37 -0.37 0.00 3.52 -0.55 -4.87 118.95 118.17 1j1h s ARG 47 Ca -0.07 -0.90 -0.04 0.00 -0.13 0.00 0.00 55.73 54.59 1j1h s ARG 47 Cb -0.06 -2.43 0.08 0.00 -1.56 0.00 0.00 34.95 30.97 1j1h s ARG 47 CO -0.00 0.54 0.14 -0.59 -0.81 0.00 0.00 175.30 174.58 1j1h s PHE 48 N -1.21 3.40 -0.34 5.12 -0.71 -1.26 -2.59 117.98 120.38 1j1h s PHE 48 Ca 0.22 -1.93 0.09 0.00 -1.04 0.00 0.00 56.93 54.27 1j1h s PHE 48 Cb -0.11 -2.72 0.74 0.00 -1.21 0.00 0.00 43.02 39.71 1j1h s PHE 48 CO 0.14 -0.86 1.80 -1.91 -1.34 0.00 0.00 175.22 173.05 1j1h n GLU 49 N 4.70 3.66 -4.20 1.99 4.07 -0.96 -4.87 120.64 125.03 1j1h n GLU 49 Ca -0.08 -3.02 -0.36 0.00 -0.06 0.00 0.00 57.16 53.64 1j1h n GLU 49 Cb 0.43 -2.21 -0.02 0.00 -0.06 0.00 0.00 31.44 29.58 1j1h n GLU 49 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1j1h n ASP 50 N -0.16 -3.43 0.00 4.31 8.00 -1.26 -3.88 116.55 120.13 1j1h n ASP 50 Ca 0.41 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.92 1j1h n ASP 50 Cb 1.39 -2.85 0.00 0.00 -0.02 0.00 0.00 41.12 39.64 1j1h n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j1h n GLY 51 N -1.42 0.08 2.85 0.44 0.00 -1.26 -4.96 105.19 100.92 1j1h n GLY 51 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1j1h n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j1h s GLU 52 N 0.00 1.22 -0.64 1.61 8.01 -1.25 -4.75 118.70 122.90 1j1h s GLU 52 Ca 0.00 -0.43 -0.18 0.00 0.01 0.00 0.00 54.97 54.36 1j1h s GLU 52 Cb 0.00 -1.91 0.12 0.00 -4.31 0.00 0.00 34.13 28.03 1j1h s GLU 52 CO 0.00 -0.45 0.72 -1.17 0.01 0.00 0.00 175.26 174.37 1j1h s LEU 53 N 1.70 5.59 0.03 1.80 2.96 -1.24 -2.26 118.68 127.26 1j1h s LEU 53 Ca 0.01 -1.65 -0.18 0.00 -0.22 0.00 0.00 54.13 52.09 1j1h s LEU 53 Cb -0.15 -2.29 -0.06 0.00 0.50 0.00 0.00 46.19 44.19 1j1h s LEU 53 CO -0.07 -1.03 0.52 -0.31 -1.32 0.00 0.00 176.35 174.13 1j1h s TYR 54 N 2.32 3.76 0.38 5.38 2.02 -1.07 -1.44 117.35 128.70 1j1h s TYR 54 Ca 0.13 1.16 -0.27 0.00 -0.37 0.00 0.00 57.07 57.72 1j1h s TYR 54 Cb -0.22 -2.45 -0.10 0.00 -0.40 0.00 0.00 41.96 38.80 1j1h s TYR 54 CO 0.03 0.56 1.35 -0.51 -1.57 0.00 0.00 175.55 175.41 1j1h s LEU 55 N -0.92 4.28 0.01 -1.29 1.43 -1.25 -1.48 118.68 119.47 1j1h s LEU 55 Ca 0.27 2.77 0.00 0.00 -1.03 0.00 0.00 54.13 56.14 1j1h s LEU 55 Cb -0.18 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.24 1j1h s LEU 55 CO 0.17 -0.80 0.00 1.21 0.23 0.00 0.00 176.35 177.15 1j1h n GLU 56 N 0.34 0.00 -1.05 1.70 2.13 0.24 -4.69 120.64 119.32 1j1h n GLU 56 Ca 0.02 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.75 1j1h n GLU 56 Cb 0.42 -0.02 0.28 0.00 0.27 0.00 0.00 31.44 32.39 1j1h n GLU 56 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1j1h n ASN 57 N -2.57 4.52 -4.36 4.31 2.85 -1.03 -4.82 115.26 114.16 1j1h n ASN 57 Ca 0.00 -3.32 -0.39 0.00 -0.11 0.00 0.00 54.58 50.75 1j1h n ASN 57 Cb 0.00 -0.76 -0.12 0.00 1.24 0.00 0.00 39.78 40.15 1j1h n ASN 57 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1j1h s LEU 58 N -3.07 4.51 -0.17 1.20 1.43 -1.26 -4.01 118.68 117.32 1j1h s LEU 58 Ca 0.55 -0.96 -0.06 0.00 -1.03 0.00 0.00 54.13 52.63 1j1h s LEU 58 Cb 0.45 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 1j1h s LEU 58 CO 0.12 -0.34 0.03 -0.31 0.23 0.00 0.00 176.35 176.09 1j1h s TYR 59 N 1.52 3.18 -0.46 0.29 2.02 -1.26 -4.97 117.35 117.67 1j1h s TYR 59 Ca 0.02 -0.03 -0.19 0.00 -0.37 0.00 0.00 57.07 56.49 1j1h s TYR 59 Cb -0.19 -2.03 0.04 0.00 -0.40 0.00 0.00 41.96 39.38 1j1h s TYR 59 CO 0.05 0.12 0.60 0.42 -1.57 0.00 0.00 175.55 175.17 1j1h s ILE 60 N 0.30 4.89 -0.47 2.71 1.09 -1.26 -2.47 121.20 125.99 1j1h s ILE 60 Ca 0.01 -0.20 -0.15 0.00 -1.10 0.00 0.00 60.65 59.21 1j1h s ILE 60 Cb -0.13 -4.21 0.08 0.00 -1.06 0.00 0.00 42.46 37.13 1j1h s ILE 60 CO 0.01 -0.65 0.39 0.00 -0.10 0.00 0.00 174.94 174.59 1j1h s ALA 61 N 2.64 3.54 -2.00 9.38 0.00 0.13 -4.51 121.76 130.94 1j1h s ALA 61 Ca 0.18 -2.15 0.08 0.00 0.00 0.00 0.00 51.96 50.07 1j1h s ALA 61 Cb -0.17 -3.05 0.48 0.00 0.00 0.00 0.00 23.12 20.38 1j1h s ALA 61 CO 0.15 -1.74 1.23 -0.35 0.00 0.00 0.00 175.76 175.05 1j1h n PRO 62 N 5.18 0.91 0.00 0.00 -0.04 -1.26 -1.28 135.00 138.50 1j1h n PRO 62 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1j1h n PRO 62 Cb 0.43 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 1j1h n PRO 62 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1j1h n TYR 63 N -0.64 0.00 -4.14 0.54 9.36 -1.26 -4.79 117.16 116.23 1j1h n TYR 63 Ca 0.06 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.12 1j1h n TYR 63 Cb 0.03 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.62 1j1h n TYR 63 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1j1h s GLU 64 N 0.00 0.73 -0.40 2.98 2.02 -1.26 -5.09 118.70 117.68 1j1h s GLU 64 Ca 0.00 -0.94 0.10 0.00 0.02 0.00 0.00 54.97 54.15 1j1h s GLU 64 Cb 0.00 -0.58 0.30 0.00 0.10 0.00 0.00 34.13 33.95 1j1h s GLU 64 CO 0.00 0.12 0.65 1.63 0.02 0.00 0.00 175.26 177.68 1j1h n LYS 65 N 1.17 1.05 -0.06 1.61 5.02 -1.26 -5.09 118.16 120.60 1j1h n LYS 65 Ca -0.21 -3.45 0.00 0.00 -2.02 0.00 0.00 58.31 52.64 1j1h n LYS 65 Cb 0.55 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1j1h n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j1h n GLY 66 N 0.77 0.96 3.86 0.72 0.00 -1.26 -5.09 105.19 105.15 1j1h n GLY 66 Ca 0.24 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 1j1h n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j1h s SER 67 N -4.00 6.70 0.00 1.61 0.15 -1.26 -5.09 113.70 111.81 1j1h s SER 67 Ca 0.00 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1j1h s SER 67 Cb 0.00 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 1j1h s SER 67 CO 0.00 0.10 0.00 -1.22 1.20 0.00 0.00 173.24 173.32 1j1h n TYR 68 N 0.64 0.00 -3.97 3.44 4.02 -1.26 -5.11 117.16 114.92 1j1h n TYR 68 Ca -0.05 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.53 1j1h n TYR 68 Cb 0.52 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.70 1j1h n TYR 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1j1h s ALA 69 N -2.00 3.17 -0.26 -0.72 0.00 -1.26 -4.89 121.76 115.80 1j1h s ALA 69 Ca 0.00 -3.03 -0.01 0.00 0.00 0.00 0.00 51.96 48.93 1j1h s ALA 69 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 21.02 1j1h s ALA 69 CO 0.00 -1.91 0.03 0.09 0.00 0.00 0.00 175.76 173.97 1j1h n ASN 70 N 3.50 -6.99 -4.46 0.00 3.02 -1.26 -5.03 115.26 104.04 1j1h n ASN 70 Ca 0.05 1.15 -0.32 0.00 -0.03 0.00 0.00 54.58 55.42 1j1h n ASN 70 Cb 0.35 -4.60 -0.13 0.00 -0.61 0.00 0.00 39.78 34.79 1j1h n ASN 70 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1j1h s VAL 71 N -1.41 2.94 -0.34 2.41 -7.23 -1.26 -5.09 120.40 110.42 1j1h s VAL 71 Ca 0.01 -0.83 0.04 0.00 -1.81 0.00 0.00 61.98 59.39 1j1h s VAL 71 Cb -0.00 -2.16 0.10 0.00 0.56 0.00 0.00 36.38 34.88 1j1h s VAL 71 CO 0.65 0.55 0.05 -1.81 -0.31 0.00 0.00 175.10 174.23 1j1h s ASP 72 N -0.84 4.70 -0.09 4.85 1.11 -1.26 -4.95 116.67 120.19 1j1h s ASP 72 Ca 0.12 -2.11 -0.27 0.00 0.18 0.00 0.00 52.55 50.47 1j1h s ASP 72 Cb -0.11 -1.56 -0.23 0.00 1.07 0.00 0.00 42.92 42.09 1j1h s ASP 72 CO 0.01 -0.38 0.92 1.55 1.18 0.00 0.00 175.17 178.45 1j1h h PRO 73 N 7.65 -0.01 -0.89 8.23 0.13 -1.99 -3.48 132.00 141.64 1j1h h PRO 73 Ca -0.05 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.93 1j1h h PRO 73 Cb 1.02 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 1j1h h PRO 73 CO 0.52 0.76 -0.18 -2.13 -0.23 0.00 0.00 178.00 176.74 1j1h n ARG 74 N -4.71 -0.58 -0.07 0.86 0.63 -1.26 -4.94 116.66 106.59 1j1h n ARG 74 Ca -0.09 0.46 -0.16 0.00 -0.92 0.00 0.00 57.85 57.13 1j1h n ARG 74 Cb 0.38 -4.35 -0.13 0.00 0.45 0.00 0.00 32.46 28.81 1j1h n ARG 74 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1j1h h ARG 75 N 0.00 0.02 -4.55 -0.14 -0.00 -1.93 -3.48 114.38 104.30 1j1h h ARG 75 Ca -0.17 -0.04 -0.27 0.00 -0.50 0.00 0.00 59.98 59.00 1j1h h ARG 75 Cb 0.98 0.01 -0.14 0.00 0.00 0.00 0.00 29.97 30.82 1j1h h ARG 75 CO 0.21 1.02 -0.54 0.21 0.00 0.00 0.00 179.97 180.87 1j1h s LYS 76 N -2.27 1.35 0.00 0.04 2.36 -1.26 -5.04 119.74 114.93 1j1h s LYS 76 Ca -0.21 -1.67 0.00 0.00 -2.55 0.00 0.00 55.97 51.54 1j1h s LYS 76 Cb -0.01 0.30 0.00 0.00 -1.05 0.00 0.00 37.83 37.07 1j1h s LYS 76 CO 0.68 -0.47 0.00 -2.13 1.55 0.00 0.00 175.35 174.98 1j1h n ARG 77 N -0.35 0.00 0.00 4.03 0.63 -1.26 -4.84 116.66 114.86 1j1h n ARG 77 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1j1h n ARG 77 Cb 0.65 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.56 1j1h n ARG 77 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1j1h n LYS 78 N 0.00 0.00 -1.85 -0.14 4.81 -1.26 -3.76 118.16 115.96 1j1h n LYS 78 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 1j1h n LYS 78 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 1j1h n LYS 78 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1j1h s LEU 79 N 0.00 4.35 -0.11 3.14 1.02 -0.52 -4.78 118.68 121.78 1j1h s LEU 79 Ca 0.00 2.89 -0.29 0.00 0.02 0.00 0.00 54.13 56.75 1j1h s LEU 79 Cb 0.00 -3.64 -0.01 0.00 0.02 0.00 0.00 46.19 42.56 1j1h s LEU 79 CO 0.00 -0.85 0.98 -0.22 0.02 0.00 0.00 176.35 176.28 1j1h s LEU 80 N -0.75 4.25 -0.06 1.79 2.96 -1.25 -3.64 118.68 121.97 1j1h s LEU 80 Ca 0.60 1.49 0.05 0.00 -0.22 0.00 0.00 54.13 56.05 1j1h s LEU 80 Cb -0.46 -3.51 -0.01 0.00 0.50 0.00 0.00 46.19 42.72 1j1h s LEU 80 CO 0.49 -0.42 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.12 1j1h s LEU 81 N 1.94 2.01 0.16 -0.68 1.43 -1.26 -0.73 118.68 121.55 1j1h s LEU 81 Ca 0.47 -0.46 -0.34 0.00 -1.03 0.00 0.00 54.13 52.77 1j1h s LEU 81 Cb -0.18 -1.24 -0.14 0.00 0.03 0.00 0.00 46.19 44.65 1j1h s LEU 81 CO 0.18 0.20 1.49 1.41 0.23 0.00 0.00 176.35 179.87 1j1h n HIS 82 N 3.08 2.07 -0.29 0.29 8.25 -1.26 -4.66 115.22 122.71 1j1h n HIS 82 Ca -0.18 0.38 -0.02 0.00 -0.26 0.00 0.00 57.72 57.64 1j1h n HIS 82 Cb 0.52 -2.48 0.10 0.00 1.12 0.00 0.00 29.99 29.26 1j1h n HIS 82 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1j1h h LYS 83 N 5.34 0.93 -0.33 -0.41 3.11 -1.93 0.24 116.57 123.54 1j1h h LYS 83 Ca -0.45 -0.06 0.09 0.00 -2.81 0.00 0.00 60.65 57.42 1j1h h LYS 83 Cb 1.28 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 32.28 1j1h h LYS 83 CO 0.84 0.62 0.23 0.45 -2.81 0.00 0.00 179.45 178.79 1j1h h HIS 84 N 0.96 0.01 -0.08 1.91 3.86 -1.93 0.58 115.15 120.46 1j1h h HIS 84 Ca 0.32 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.34 1j1h h HIS 84 Cb 0.04 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 1j1h h HIS 84 CO -0.03 0.00 -0.75 1.49 0.86 0.00 0.00 177.93 179.50 1j1h h GLU 85 N 0.01 0.43 0.10 2.45 4.57 -0.92 -3.25 114.58 117.97 1j1h h GLU 85 Ca 0.15 -0.36 -0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1j1h h GLU 85 Cb 0.61 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1j1h h GLU 85 CO -0.00 1.00 -0.05 1.25 -1.18 0.00 0.00 179.01 180.03 1j1h h LEU 86 N 0.29 -0.11 -0.28 1.64 6.46 0.72 -3.20 115.31 120.82 1j1h h LEU 86 Ca -0.04 -0.20 -0.20 0.00 -0.12 0.00 0.00 57.88 57.33 1j1h h LEU 86 Cb 1.33 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.28 1j1h h LEU 86 CO 0.13 0.14 -0.88 0.03 -0.62 0.00 0.00 178.44 177.24 1j1h h ARG 87 N -0.37 0.18 -0.08 1.25 3.08 -1.69 -3.24 114.38 113.52 1j1h h ARG 87 Ca -0.01 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 1j1h h ARG 87 Cb 0.31 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1j1h h ARG 87 CO 0.02 0.95 -0.08 -0.09 -1.07 0.00 0.00 179.97 179.70 1j1h h ARG 88 N 0.10 0.19 -0.15 0.04 9.65 -1.64 0.78 114.38 123.35 1j1h h ARG 88 Ca -0.04 -0.10 -0.08 0.00 -1.10 0.00 0.00 59.98 58.66 1j1h h ARG 88 Cb 1.51 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 30.09 1j1h h ARG 88 CO 0.13 0.63 -0.21 1.25 2.80 0.00 0.00 179.97 184.57 1j1h h LEU 89 N -0.24 0.45 -0.96 3.80 7.12 -1.71 -3.10 115.31 120.66 1j1h h LEU 89 Ca 0.01 -0.52 -0.11 0.00 0.13 0.00 0.00 57.88 57.40 1j1h h LEU 89 Cb 0.59 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.58 1j1h h LEU 89 CO 0.02 0.88 -0.49 0.25 -0.13 0.00 0.00 178.44 178.97 1j1h h LEU 90 N 0.04 0.07 -2.13 2.25 7.12 -1.66 -3.07 115.31 117.92 1j1h h LEU 90 Ca 0.02 -0.03 0.07 0.00 0.13 0.00 0.00 57.88 58.06 1j1h h LEU 90 Cb 0.78 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.88 1j1h h LEU 90 CO 0.05 0.55 0.21 1.23 -0.13 0.00 0.00 178.44 180.35 1j1h h GLY 91 N 1.45 0.00 1.82 3.75 0.00 -0.75 -0.02 103.07 109.32 1j1h h GLY 91 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 1j1h h GLY 91 CO 0.07 0.00 -0.79 0.50 0.00 0.00 0.00 176.54 176.32 1j1h h LYS 92 N 0.00 0.17 0.00 4.80 1.79 -1.61 -2.81 116.57 118.90 1j1h h LYS 92 Ca 0.11 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1j1h h LYS 92 Cb 0.52 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1j1h h LYS 92 CO -0.00 0.87 0.00 0.28 -1.08 0.00 0.00 179.45 179.52 1j1h n VAL 93 N -3.71 0.84 0.14 0.50 0.31 -0.04 -3.36 118.33 113.01 1j1h n VAL 93 Ca -0.03 0.20 0.07 0.00 -0.01 0.00 0.00 64.34 64.57 1j1h n VAL 93 Cb 0.75 -1.02 0.39 0.00 -0.91 0.00 0.00 33.84 33.05 1j1h n VAL 93 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1j1h n GLU 94 N -1.87 0.10 0.00 5.55 2.13 -1.06 -4.05 120.64 121.44 1j1h n GLU 94 Ca 0.03 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.42 1j1h n GLU 94 Cb 0.22 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 29.95 1j1h n GLU 94 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1j1h n GLN 95 N -2.03 0.00 0.00 5.31 6.02 -1.21 -5.00 117.38 120.46 1j1h n GLN 95 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1j1h n GLN 95 Cb 0.20 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.46 1j1h n GLN 95 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1j1h n LYS 96 N 0.00 0.00 0.00 -1.09 4.81 -1.26 -4.96 118.16 115.66 1j1h n LYS 96 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1j1h n LYS 96 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1j1h n LYS 96 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j1h n GLY 97 N 0.00 0.81 3.32 3.14 0.00 -1.26 -4.80 105.19 106.40 1j1h n GLY 97 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1j1h n GLY 97 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1j1h s LEU 98 N 0.00 2.48 0.24 0.99 2.34 -1.26 -3.66 118.68 119.80 1j1h s LEU 98 Ca 0.00 -0.92 0.02 0.00 0.06 0.00 0.00 54.13 53.29 1j1h s LEU 98 Cb 0.00 -0.72 -0.05 0.00 -0.56 0.00 0.00 46.19 44.86 1j1h s LEU 98 CO 0.00 -0.11 0.06 -0.89 -1.06 0.00 0.00 176.35 174.36 1j1h s THR 99 N -2.43 0.64 -0.17 5.48 2.01 -1.20 -4.89 115.64 115.08 1j1h s THR 99 Ca 0.17 -2.00 -0.01 0.00 0.31 0.00 0.00 61.69 60.17 1j1h s THR 99 Cb -0.04 -2.49 -0.00 0.00 0.01 0.00 0.00 72.50 69.98 1j1h s THR 99 CO 0.06 -0.14 -0.13 -1.48 -0.69 0.00 0.00 174.62 172.24 1j1h s LEU 100 N -3.28 2.56 -0.06 4.42 -0.00 -1.26 -2.42 118.68 118.64 1j1h s LEU 100 Ca 0.34 -0.46 -0.03 0.00 -0.00 0.00 0.00 54.13 53.98 1j1h s LEU 100 Cb 0.07 -1.60 0.04 0.00 -0.00 0.00 0.00 46.19 44.70 1j1h s LEU 100 CO 0.11 0.06 0.15 0.54 -0.00 0.00 0.00 176.35 177.20 1j1h s VAL 101 N 0.99 -0.04 -1.04 1.48 0.11 -1.24 -2.71 120.40 117.95 1j1h s VAL 101 Ca -0.02 0.15 -0.25 0.00 -2.93 0.00 0.00 61.98 58.94 1j1h s VAL 101 Cb -0.15 -0.24 -0.14 0.00 -1.53 0.00 0.00 36.38 34.33 1j1h s VAL 101 CO -0.02 0.06 2.07 -2.16 -3.33 0.00 0.00 175.10 171.73 1j1h s PRO 102 N 1.02 1.90 0.41 1.54 0.04 -1.26 -1.63 135.00 137.02 1j1h s PRO 102 Ca -0.08 -0.51 0.20 0.00 0.04 0.00 0.00 61.00 60.65 1j1h s PRO 102 Cb -0.10 -5.05 1.14 0.00 0.04 0.00 0.00 34.50 30.53 1j1h s PRO 102 CO -0.05 -4.49 1.77 1.37 0.04 0.00 0.00 177.00 175.64 1j1h h LEU 103 N 20.13 0.41 -7.57 -3.56 8.10 -1.52 -3.38 115.31 127.92 1j1h h LEU 103 Ca 0.09 0.08 -0.44 0.00 0.11 0.00 0.00 57.88 57.72 1j1h h LEU 103 Cb 0.98 0.01 -0.37 0.00 -0.44 0.00 0.00 40.66 40.84 1j1h h LEU 103 CO 1.11 0.08 -0.77 -0.54 -4.11 0.00 0.00 178.44 174.21 1j1h s LYS 104 N -5.44 0.76 -0.33 0.17 1.02 -1.05 -0.58 119.74 114.28 1j1h s LYS 104 Ca -0.08 0.02 -0.05 0.00 0.02 0.00 0.00 55.97 55.87 1j1h s LYS 104 Cb 0.25 -1.00 0.05 0.00 -0.52 0.00 0.00 37.83 36.61 1j1h s LYS 104 CO 0.80 -0.24 0.08 0.42 -0.92 0.00 0.00 175.35 175.48 1j1h s ILE 105 N 1.68 3.53 -0.10 2.17 1.01 -1.26 -2.40 121.20 125.82 1j1h s ILE 105 Ca 0.01 -1.25 -0.04 0.00 0.00 0.00 0.00 60.65 59.37 1j1h s ILE 105 Cb -0.13 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 1j1h s ILE 105 CO -0.04 -0.18 0.05 -0.31 0.00 0.00 0.00 174.94 174.45 1j1h s TYR 106 N 1.35 3.31 0.14 3.97 1.51 -0.55 -4.18 117.35 122.90 1j1h s TYR 106 Ca -0.02 0.29 0.08 0.00 -1.01 0.00 0.00 57.07 56.41 1j1h s TYR 106 Cb -0.20 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1j1h s TYR 106 CO 0.01 0.54 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.75 1j1h s PHE 107 N -0.86 1.75 0.10 2.71 0.40 -1.26 -0.59 117.98 120.24 1j1h s PHE 107 Ca 0.13 -0.46 -0.00 0.00 -0.60 0.00 0.00 56.93 56.00 1j1h s PHE 107 Cb -0.12 -0.91 -0.04 0.00 0.51 0.00 0.00 43.02 42.46 1j1h s PHE 107 CO 0.03 0.26 0.00 -0.80 0.70 0.00 0.00 175.22 175.41 1j1h s ASN 108 N -2.37 0.60 0.00 1.36 0.02 -1.03 -4.84 114.94 108.69 1j1h s ASN 108 Ca 0.11 -1.10 0.19 0.00 -1.02 0.00 0.00 52.86 51.05 1j1h s ASN 108 Cb -0.07 0.21 1.06 0.00 0.02 0.00 0.00 41.25 42.47 1j1h s ASN 108 CO 0.05 -0.63 1.56 1.21 0.02 0.00 0.00 177.10 179.32 1j1h n GLU 109 N -0.03 0.45 -0.28 -0.60 0.00 -1.26 -2.75 120.64 116.18 1j1h n GLU 109 Ca -0.10 0.05 0.09 0.00 0.00 0.00 0.00 57.16 57.20 1j1h n GLU 109 Cb 0.62 -1.50 0.25 0.00 0.00 0.00 0.00 31.44 30.81 1j1h n GLU 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1j1h n ARG 110 N -1.13 2.29 -1.60 5.31 5.12 -1.26 -4.87 116.66 120.52 1j1h n ARG 110 Ca 0.12 -2.00 -0.06 0.00 -1.93 0.00 0.00 57.85 53.98 1j1h n ARG 110 Cb 0.10 -1.43 -0.02 0.00 -1.16 0.00 0.00 32.46 29.95 1j1h n ARG 110 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1j1h n GLY 111 N 1.38 0.52 3.04 -0.13 0.00 -1.11 -4.95 105.19 103.94 1j1h n GLY 111 Ca 0.19 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 1j1h n GLY 111 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j1h s TYR 112 N -2.26 3.27 -0.08 1.61 1.51 -1.26 -3.87 117.35 116.27 1j1h s TYR 112 Ca 0.00 -2.42 0.04 0.00 -1.01 0.00 0.00 57.07 53.68 1j1h s TYR 112 Cb 0.00 -2.12 -0.01 0.00 -0.11 0.00 0.00 41.96 39.71 1j1h s TYR 112 CO 0.00 -0.89 -0.19 0.00 -1.11 0.00 0.00 175.55 173.36 1j1h s ALA 113 N 1.09 2.39 -0.18 3.71 0.00 0.61 -2.45 121.76 126.94 1j1h s ALA 113 Ca -0.04 -0.99 -0.09 0.00 0.00 0.00 0.00 51.96 50.84 1j1h s ALA 113 Cb -0.20 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 1j1h s ALA 113 CO -0.06 0.40 0.13 0.15 0.00 0.00 0.00 175.76 176.38 1j1h s LYS 114 N -0.14 4.01 -0.19 0.00 1.02 0.25 -1.32 119.74 123.37 1j1h s LYS 114 Ca -0.03 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 55.76 1j1h s LYS 114 Cb -0.14 -3.36 0.02 0.00 -0.52 0.00 0.00 37.83 33.83 1j1h s LYS 114 CO 0.04 0.41 -0.16 0.08 -0.92 0.00 0.00 175.35 174.79 1j1h s VAL 115 N 0.05 2.35 -0.28 3.17 1.01 -1.01 -1.48 120.40 124.22 1j1h s VAL 115 Ca 0.09 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1j1h s VAL 115 Cb -0.11 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1j1h s VAL 115 CO -0.01 0.49 0.05 -0.22 0.00 0.00 0.00 175.10 175.41 1j1h s LEU 116 N 1.32 3.62 -0.01 3.92 0.20 -1.01 -1.63 118.68 125.10 1j1h s LEU 116 Ca 0.05 -0.64 -0.03 0.00 0.69 0.00 0.00 54.13 54.19 1j1h s LEU 116 Cb -0.14 -1.84 -0.04 0.00 -0.43 0.00 0.00 46.19 43.74 1j1h s LEU 116 CO -0.11 -0.15 0.20 -0.22 -0.29 0.00 0.00 176.35 175.78 1j1h s LEU 117 N 1.49 4.37 -0.16 -0.68 0.20 -0.56 -1.34 118.68 121.99 1j1h s LEU 117 Ca 0.03 0.39 -0.01 0.00 0.69 0.00 0.00 54.13 55.23 1j1h s LEU 117 Cb -0.17 -2.62 0.04 0.00 -0.43 0.00 0.00 46.19 43.02 1j1h s LEU 117 CO 0.01 0.26 -0.04 -0.83 -0.29 0.00 0.00 176.35 175.46 1j1h s GLY 118 N -1.88 0.91 -0.30 7.98 0.00 -0.64 -2.91 107.32 110.48 1j1h s GLY 118 Ca 0.27 -0.77 -0.23 0.00 0.00 0.00 0.00 44.72 43.99 1j1h s GLY 118 CO 0.18 0.98 0.74 -2.27 0.00 0.00 0.00 173.10 172.74 1j1h s LEU 119 N 1.67 4.10 -0.11 0.66 2.96 -0.17 -3.70 118.68 124.08 1j1h s LEU 119 Ca 0.01 0.63 -0.13 0.00 -0.22 0.00 0.00 54.13 54.41 1j1h s LEU 119 Cb -0.15 -3.01 -0.05 0.00 0.50 0.00 0.00 46.19 43.48 1j1h s LEU 119 CO -0.08 -0.56 0.31 0.00 -1.32 0.00 0.00 176.35 174.70 1j1h s ALA 120 N 2.84 3.66 -0.43 5.97 0.00 -1.02 -0.50 121.76 132.28 1j1h s ALA 120 Ca 0.30 -0.41 -0.19 0.00 0.00 0.00 0.00 51.96 51.67 1j1h s ALA 120 Cb -0.14 -2.34 0.02 0.00 0.00 0.00 0.00 23.12 20.66 1j1h s ALA 120 CO 0.12 0.27 0.52 -0.98 0.00 0.00 0.00 175.76 175.68 1j1h s ARG 121 N -0.16 3.17 0.43 0.00 1.70 -1.26 -3.26 118.95 119.57 1j1h s ARG 121 Ca 0.19 -0.61 0.24 0.00 -0.47 0.00 0.00 55.73 55.08 1j1h s ARG 121 Cb -0.14 -3.96 0.61 0.00 -0.57 0.00 0.00 34.95 30.89 1j1h s ARG 121 CO 0.07 -0.91 1.70 0.78 -1.08 0.00 0.00 175.30 175.85 1j1h h GLY 122 N 9.30 0.00 0.00 3.88 0.00 -1.92 -3.49 103.07 110.84 1j1h h GLY 122 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1j1h h GLY 122 CO 0.83 0.00 0.00 1.17 0.00 0.00 0.00 176.54 178.54