#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1h n ALA 2 N 0.00 0.00 -1.78 3.04 0.00 -1.26 -5.15 120.51 115.37 1j1h n ALA 2 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1j1h n ALA 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1j1h n ALA 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j1h s PRO 3 N -2.00 3.56 0.12 0.00 0.04 -1.26 -4.72 135.00 130.74 1j1h s PRO 3 Ca 0.00 1.62 -0.03 0.00 0.04 0.00 0.00 61.00 62.62 1j1h s PRO 3 Cb 0.00 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1j1h s PRO 3 CO 0.00 -0.68 0.33 0.54 0.04 0.00 0.00 177.00 177.23 1j1h s VAL 4 N -1.73 5.23 0.57 -0.36 0.11 -1.26 -4.97 120.40 118.00 1j1h s VAL 4 Ca 0.69 -0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 1j1h s VAL 4 Cb -0.24 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 30.98 1j1h s VAL 4 CO 0.28 0.07 0.00 0.18 -3.33 0.00 0.00 175.10 172.30 1j1h n LEU 5 N 0.14 -2.19 -4.02 2.54 4.77 -1.24 -4.25 117.00 112.74 1j1h n LEU 5 Ca -0.03 3.18 -0.10 0.00 -0.03 0.00 0.00 56.01 59.04 1j1h n LEU 5 Cb 0.51 -3.25 -0.11 0.00 -2.33 0.00 0.00 43.42 38.25 1j1h n LEU 5 CO 0.50 0.18 -0.37 -1.61 -1.33 0.00 0.00 177.39 174.75 1j1h s GLU 6 N -4.05 0.43 -1.22 3.23 2.02 -1.26 -4.19 118.70 113.66 1j1h s GLU 6 Ca 0.00 -0.77 -0.18 0.00 0.02 0.00 0.00 54.97 54.04 1j1h s GLU 6 Cb 0.00 0.02 0.09 0.00 0.10 0.00 0.00 34.13 34.34 1j1h s GLU 6 CO 0.00 -0.03 1.60 0.54 0.02 0.00 0.00 175.26 177.38 1j1h s ASN 7 N -1.78 6.84 0.01 -0.19 4.22 -0.23 -4.46 114.94 119.36 1j1h s ASN 7 Ca -0.10 -2.42 -0.18 0.00 -2.14 0.00 0.00 52.86 48.01 1j1h s ASN 7 Cb -0.07 -2.53 -0.28 0.00 1.28 0.00 0.00 41.25 39.66 1j1h s ASN 7 CO -0.02 -1.11 1.05 -0.09 -2.04 0.00 0.00 177.10 174.89 1j1h h ARG 8 N 7.83 0.48 -0.91 3.55 2.43 -1.78 -3.30 114.38 122.68 1j1h h ARG 8 Ca 0.37 -0.63 0.04 0.00 -0.81 0.00 0.00 59.98 58.95 1j1h h ARG 8 Cb 0.90 0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 30.60 1j1h h ARG 8 CO 1.39 1.26 0.60 -0.09 -1.51 0.00 0.00 179.97 181.62 1j1h h ARG 9 N -0.00 1.08 0.07 0.20 2.43 -1.87 0.79 114.38 117.08 1j1h h ARG 9 Ca -0.14 -0.07 -0.29 0.00 -0.81 0.00 0.00 59.98 58.68 1j1h h ARG 9 Cb 1.66 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.94 1j1h h ARG 9 CO 0.18 0.72 -1.55 0.00 -1.51 0.00 0.00 179.97 177.80 1j1h h ALA 10 N 1.48 0.31 0.00 2.80 0.00 -1.74 0.61 119.26 122.72 1j1h h ALA 10 Ca 0.37 -1.26 -0.09 0.00 0.00 0.00 0.00 54.91 53.93 1j1h h ALA 10 Cb 0.07 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1j1h h ALA 10 CO -0.12 0.95 -0.45 -0.09 0.00 0.00 0.00 179.25 179.54 1j1h h ARG 11 N -0.49 0.00 0.04 0.00 2.43 -1.64 -2.09 114.38 112.63 1j1h h ARG 11 Ca -0.37 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.43 1j1h h ARG 11 Cb 1.65 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.15 1j1h h ARG 11 CO -0.06 0.45 -2.17 1.58 -1.51 0.00 0.00 179.97 178.27 1j1h n HIS 12 N -3.73 0.56 -0.03 2.20 -0.00 0.26 -4.80 115.22 109.69 1j1h n HIS 12 Ca -0.01 0.15 -0.02 0.00 0.46 0.00 0.00 57.72 58.30 1j1h n HIS 12 Cb 0.52 -1.07 -0.05 0.00 -0.12 0.00 0.00 29.99 29.26 1j1h n HIS 12 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1j1h n ASP 13 N -3.65 3.33 -3.71 0.26 8.00 0.12 -5.01 116.55 115.89 1j1h n ASP 13 Ca -0.41 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 54.97 1j1h n ASP 13 Cb 0.95 0.79 -0.07 0.00 -0.02 0.00 0.00 41.12 42.78 1j1h n ASP 13 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1j1h s TYR 14 N -2.23 -0.16 -0.01 1.24 6.14 0.17 -4.91 117.35 117.60 1j1h s TYR 14 Ca -0.03 0.02 -0.26 0.00 0.64 0.00 0.00 57.07 57.43 1j1h s TYR 14 Cb 0.02 0.15 -0.04 0.00 0.42 0.00 0.00 41.96 42.51 1j1h s TYR 14 CO 0.28 -0.55 0.82 -2.00 0.64 0.00 0.00 175.55 174.74 1j1h s GLU 15 N -2.74 4.51 -0.21 4.97 2.12 -1.26 -4.16 118.70 121.93 1j1h s GLU 15 Ca -0.04 1.14 -0.21 0.00 0.36 0.00 0.00 54.97 56.22 1j1h s GLU 15 Cb -0.00 -3.43 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 1j1h s GLU 15 CO -0.04 0.09 0.64 0.42 -0.54 0.00 0.00 175.26 175.83 1j1h s ILE 16 N 0.60 5.00 0.00 -3.70 -1.09 -1.26 -4.48 121.20 116.28 1j1h s ILE 16 Ca 0.43 1.20 0.00 0.00 -2.23 0.00 0.00 60.65 60.05 1j1h s ILE 16 Cb -0.20 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 1j1h s ILE 16 CO 0.23 0.09 0.37 -0.11 -1.23 0.00 0.00 174.94 174.29 1j1h n LEU 17 N 5.20 0.56 -4.75 2.97 0.00 0.30 -4.89 117.00 116.39 1j1h n LEU 17 Ca -0.01 0.55 -0.31 0.00 0.00 0.00 0.00 56.01 56.24 1j1h n LEU 17 Cb 0.49 -0.33 -0.07 0.00 0.00 0.00 0.00 43.42 43.51 1j1h n LEU 17 CO 0.44 -0.33 -0.28 -0.70 0.00 0.00 0.00 177.39 176.52 1j1h s GLU 18 N -1.40 2.88 0.07 1.96 2.56 -1.23 -4.94 118.70 118.60 1j1h s GLU 18 Ca 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 54.97 54.35 1j1h s GLU 18 Cb 0.00 -2.73 -0.03 0.00 2.00 0.00 0.00 34.13 33.36 1j1h s GLU 18 CO 0.00 0.60 -0.07 0.95 -0.56 0.00 0.00 175.26 176.17 1j1h s THR 19 N -1.27 0.63 0.04 -1.70 -4.23 -1.26 -1.06 115.64 106.78 1j1h s THR 19 Ca 0.25 -1.50 -0.04 0.00 -1.18 0.00 0.00 61.69 59.22 1j1h s THR 19 Cb -0.12 -1.14 -0.02 0.00 1.34 0.00 0.00 72.50 72.57 1j1h s THR 19 CO 0.17 -0.61 0.07 -0.72 -0.54 0.00 0.00 174.62 172.99 1j1h s TYR 20 N -2.45 0.24 -0.15 3.99 -0.85 -1.19 -4.35 117.35 112.60 1j1h s TYR 20 Ca 0.01 -0.57 -0.01 0.00 -0.52 0.00 0.00 57.07 55.97 1j1h s TYR 20 Cb -0.03 -0.18 -0.01 0.00 0.38 0.00 0.00 41.96 42.12 1j1h s TYR 20 CO -0.02 -0.35 -0.11 -1.21 -1.52 0.00 0.00 175.55 172.34 1j1h s GLU 21 N -2.67 3.41 0.27 -3.49 2.02 -1.26 -1.65 118.70 115.33 1j1h s GLU 21 Ca -0.04 -0.66 0.12 0.00 0.02 0.00 0.00 54.97 54.40 1j1h s GLU 21 Cb -0.01 -2.72 -0.05 0.00 0.10 0.00 0.00 34.13 31.46 1j1h s GLU 21 CO -0.05 0.15 -0.17 0.00 0.02 0.00 0.00 175.26 175.21 1j1h s ALA 22 N 0.52 2.81 -0.33 5.21 0.00 -1.07 -4.48 121.76 124.42 1j1h s ALA 22 Ca -0.07 -1.82 0.03 0.00 0.00 0.00 0.00 51.96 50.10 1j1h s ALA 22 Cb -0.15 -0.36 0.10 0.00 0.00 0.00 0.00 23.12 22.71 1j1h s ALA 22 CO 0.04 0.29 0.05 0.20 0.00 0.00 0.00 175.76 176.34 1j1h s GLY 23 N -3.47 1.84 -0.16 0.00 0.00 -0.50 -2.50 107.32 102.52 1j1h s GLY 23 Ca 0.30 -2.42 -0.11 0.00 0.00 0.00 0.00 44.72 42.49 1j1h s GLY 23 CO 0.15 1.00 0.19 -0.42 0.00 0.00 0.00 173.10 174.01 1j1h s ILE 24 N 0.98 5.39 0.29 0.90 1.09 -0.57 -3.85 121.20 125.43 1j1h s ILE 24 Ca 0.10 0.31 0.07 0.00 -1.10 0.00 0.00 60.65 60.03 1j1h s ILE 24 Cb -0.19 -3.51 -0.03 0.00 -1.06 0.00 0.00 42.46 37.68 1j1h s ILE 24 CO -0.10 0.47 0.30 0.00 -0.10 0.00 0.00 174.94 175.52 1j1h s ALA 25 N 0.03 3.84 0.23 9.38 0.00 -1.26 0.71 121.76 134.70 1j1h s ALA 25 Ca 0.12 -1.48 0.11 0.00 0.00 0.00 0.00 51.96 50.72 1j1h s ALA 25 Cb -0.12 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.56 1j1h s ALA 25 CO 0.01 0.12 -0.21 -0.48 0.00 0.00 0.00 175.76 175.20 1j1h s LEU 26 N -3.98 2.50 0.00 0.00 2.34 -1.26 -4.94 118.68 113.34 1j1h s LEU 26 Ca 0.38 -0.94 -0.10 0.00 0.06 0.00 0.00 54.13 53.52 1j1h s LEU 26 Cb -0.08 -1.07 0.14 0.00 -0.56 0.00 0.00 46.19 44.63 1j1h s LEU 26 CO 0.27 0.05 0.77 0.29 -1.06 0.00 0.00 176.35 176.67 1j1h n LYS 27 N -0.13 -1.08 -0.08 1.48 4.76 -1.26 -4.67 118.16 117.18 1j1h n LYS 27 Ca -0.09 -1.19 -0.11 0.00 -2.87 0.00 0.00 58.31 54.04 1j1h n LYS 27 Cb 0.58 -0.85 -0.05 0.00 -1.84 0.00 0.00 35.03 32.87 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 -1.20 0.46 0.86 0.72 0.00 -2.01 -2.97 103.07 98.92 1j1h h GLY 28 Ca -0.26 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1j1h h GLY 28 CO 0.18 0.32 -0.40 -1.30 0.00 0.00 0.00 176.54 175.34 1j1h n THR 29 N -4.63 0.00 -0.11 4.70 -2.24 -1.26 -3.73 114.28 107.01 1j1h n THR 29 Ca -0.04 -0.03 0.15 0.00 -2.27 0.00 0.00 64.05 61.86 1j1h n THR 29 Cb 0.26 0.23 0.54 0.00 -2.10 0.00 0.00 70.33 69.26 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 0.32 0.33 -0.47 -0.78 4.39 -1.86 -1.01 114.58 115.50 1j1h h GLU 30 Ca 0.00 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.73 1j1h h GLU 30 Cb 0.49 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 1j1h h GLU 30 CO 0.00 0.22 0.31 0.28 -1.16 0.00 0.00 179.01 178.66 1j1h h VAL 31 N 0.34 0.99 0.13 3.13 2.07 -1.68 1.27 116.25 122.51 1j1h h VAL 31 Ca 0.32 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1j1h h VAL 31 Cb 0.77 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1j1h h VAL 31 CO -0.08 0.08 -0.06 0.11 0.02 0.00 0.00 177.57 177.63 1j1h h LYS 32 N 0.44 -0.17 -0.09 1.57 1.57 -1.46 -0.26 116.57 118.17 1j1h h LYS 32 Ca 0.20 0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.80 1j1h h LYS 32 Cb 0.24 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1j1h h LYS 32 CO -0.05 0.24 -0.72 0.77 -0.57 0.00 0.00 179.45 179.12 1j1h h SER 33 N -0.64 0.54 0.14 0.86 0.02 -1.63 0.77 113.55 113.62 1j1h h SER 33 Ca -0.02 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 1j1h h SER 33 Cb 0.49 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1j1h h SER 33 CO 0.03 1.09 -0.07 0.25 -1.14 0.00 0.00 176.83 176.99 1j1h h LEU 34 N 0.32 -0.16 -0.62 5.07 7.12 0.16 3.39 115.31 130.58 1j1h h LEU 34 Ca -0.03 -0.23 -0.04 0.00 0.13 0.00 0.00 57.88 57.71 1j1h h LEU 34 Cb 1.30 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 41.46 1j1h h LEU 34 CO 0.13 0.15 -0.19 -0.09 -0.13 0.00 0.00 178.44 178.30 1j1h h ARG 35 N -0.47 0.00 -0.51 1.25 2.43 -1.07 -2.90 114.38 113.10 1j1h h ARG 35 Ca -0.02 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.94 1j1h h ARG 35 Cb 0.38 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 29.80 1j1h h ARG 35 CO 0.03 0.19 0.12 0.00 -1.51 0.00 0.00 179.97 178.80 1j1h n ALA 36 N -2.17 4.31 -2.72 2.80 0.00 0.27 -4.07 120.51 118.93 1j1h n ALA 36 Ca 0.02 -2.81 -0.25 0.00 0.00 0.00 0.00 53.44 50.39 1j1h n ALA 36 Cb 0.51 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.98 1.65 -0.20 0.00 0.00 1.12 -4.72 107.32 103.20 1j1h s GLY 37 Ca 0.48 -1.40 0.01 0.00 0.00 0.00 0.00 44.72 43.81 1j1h s GLY 37 CO 0.06 -1.43 -0.15 1.25 0.00 0.00 0.00 173.10 172.83 1j1h s LYS 38 N -3.29 2.55 0.25 2.90 2.47 -1.22 -3.64 119.74 119.76 1j1h s LYS 38 Ca 0.30 -0.93 0.10 0.00 -1.56 0.00 0.00 55.97 53.88 1j1h s LYS 38 Cb -0.09 -2.57 -0.04 0.00 -1.46 0.00 0.00 37.83 33.67 1j1h s LYS 38 CO 0.21 -0.34 -0.06 0.54 0.16 0.00 0.00 175.35 175.86 1j1h s VAL 39 N 1.29 3.20 -0.51 4.02 0.11 -1.26 -1.11 120.40 126.14 1j1h s VAL 39 Ca 0.00 -1.94 -0.25 0.00 -2.93 0.00 0.00 61.98 56.86 1j1h s VAL 39 Cb -0.15 -2.68 0.03 0.00 -1.53 0.00 0.00 36.38 32.05 1j1h s VAL 39 CO -0.10 -0.31 0.94 -0.62 -3.33 0.00 0.00 175.10 171.68 1j1h s ASP 40 N -3.43 6.41 -0.42 3.54 2.15 -1.10 -4.78 116.67 119.04 1j1h s ASP 40 Ca 0.29 -0.13 -0.16 0.00 0.43 0.00 0.00 52.55 52.98 1j1h s ASP 40 Cb -0.07 -2.45 0.02 0.00 -0.30 0.00 0.00 42.92 40.13 1j1h s ASP 40 CO 0.18 -1.16 0.38 -0.36 -0.17 0.00 0.00 175.17 174.04 1j1h s PHE 41 N 3.89 3.20 0.00 -5.34 0.08 -1.26 -4.61 117.98 113.95 1j1h s PHE 41 Ca 0.34 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.92 1j1h s PHE 41 Cb -0.11 -2.77 0.00 0.00 -0.57 0.00 0.00 43.02 39.57 1j1h s PHE 41 CO 0.23 -0.66 0.00 -2.37 -0.10 0.00 0.00 175.22 172.32 1j1h n THR 42 N 5.32 0.00 -2.64 0.64 5.66 -1.26 -3.66 114.28 118.34 1j1h n THR 42 Ca -0.09 0.00 -0.11 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 -1.44 -0.50 3.70 1.09 0.00 -1.26 -4.87 105.19 101.91 1j1h n GLY 43 Ca 0.00 0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.15 4.40 0.02 1.61 0.15 -1.26 -4.86 113.70 111.61 1j1h s SER 44 Ca 0.08 -0.99 -0.11 0.00 0.70 0.00 0.00 55.95 55.63 1j1h s SER 44 Cb -0.04 -0.55 0.01 0.00 -1.71 0.00 0.00 66.02 63.73 1j1h s SER 44 CO 0.10 -0.40 0.22 -0.36 1.20 0.00 0.00 173.24 174.00 1j1h s PHE 45 N -2.54 -0.02 0.07 3.44 0.40 -1.26 -4.68 117.98 113.40 1j1h s PHE 45 Ca 0.38 -0.10 0.05 0.00 -0.60 0.00 0.00 56.93 56.66 1j1h s PHE 45 Cb 0.01 0.01 -0.03 0.00 0.51 0.00 0.00 43.02 43.52 1j1h s PHE 45 CO 0.22 -0.40 -0.14 0.00 0.70 0.00 0.00 175.22 175.60 1j1h s ALA 46 N -2.04 1.17 0.08 5.36 0.00 -1.06 -0.74 121.76 124.53 1j1h s ALA 46 Ca -0.09 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 50.94 1j1h s ALA 46 Cb -0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1j1h s ALA 46 CO -0.01 0.17 0.01 0.50 0.00 0.00 0.00 175.76 176.43 1j1h s ARG 47 N -1.66 2.60 -0.36 0.00 6.06 -0.43 -4.85 118.95 120.31 1j1h s ARG 47 Ca -0.02 -0.80 -0.04 0.00 -2.50 0.00 0.00 55.73 52.37 1j1h s ARG 47 Cb -0.10 -2.57 0.07 0.00 0.06 0.00 0.00 34.95 32.41 1j1h s ARG 47 CO 0.02 0.55 0.12 -0.59 -2.50 0.00 0.00 175.30 172.90 1j1h s PHE 48 N -1.29 3.38 -0.29 5.12 -0.71 -1.26 -2.71 117.98 120.21 1j1h s PHE 48 Ca 0.25 -1.91 0.11 0.00 -1.04 0.00 0.00 56.93 54.34 1j1h s PHE 48 Cb -0.12 -2.62 0.64 0.00 -1.21 0.00 0.00 43.02 39.71 1j1h s PHE 48 CO 0.18 -0.85 1.65 -1.91 -1.34 0.00 0.00 175.22 172.95 1j1h n GLU 49 N 4.69 2.97 -3.59 1.99 2.13 -0.64 -4.94 120.64 123.26 1j1h n GLU 49 Ca -0.09 -3.05 -0.21 0.00 0.66 0.00 0.00 57.16 54.47 1j1h n GLU 49 Cb 0.43 -2.04 0.01 0.00 0.27 0.00 0.00 31.44 30.12 1j1h n GLU 49 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1j1h n ASP 50 N -0.55 -5.72 0.00 4.31 8.00 -1.26 -4.00 116.55 117.32 1j1h n ASP 50 Ca 0.36 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 55.10 1j1h n ASP 50 Cb 1.22 -3.06 0.00 0.00 -0.02 0.00 0.00 41.12 39.26 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 -1.72 1.34 2.88 0.44 0.00 -1.26 -4.84 105.19 102.03 1j1h n GLY 51 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 0.79 -0.44 1.61 2.02 -1.26 -4.37 118.70 117.06 1j1h s GLU 52 Ca 0.00 -0.08 -0.04 0.00 0.02 0.00 0.00 54.97 54.87 1j1h s GLU 52 Cb 0.00 -0.84 0.12 0.00 0.10 0.00 0.00 34.13 33.50 1j1h s GLU 52 CO 0.00 -0.10 0.25 -1.17 0.02 0.00 0.00 175.26 174.26 1j1h s LEU 53 N 1.02 5.37 0.09 1.80 2.96 -1.16 -1.62 118.68 127.14 1j1h s LEU 53 Ca -0.10 -2.06 -0.21 0.00 -0.22 0.00 0.00 54.13 51.55 1j1h s LEU 53 Cb -0.14 -1.88 -0.07 0.00 0.50 0.00 0.00 46.19 44.60 1j1h s LEU 53 CO -0.01 -0.57 0.61 -0.31 -1.32 0.00 0.00 176.35 174.76 1j1h s TYR 54 N 1.11 3.83 0.35 5.38 2.02 -1.10 -0.62 117.35 128.32 1j1h s TYR 54 Ca 0.08 1.35 -0.28 0.00 -0.37 0.00 0.00 57.07 57.85 1j1h s TYR 54 Cb -0.23 -2.56 -0.11 0.00 -0.40 0.00 0.00 41.96 38.66 1j1h s TYR 54 CO -0.03 0.57 1.41 -0.51 -1.57 0.00 0.00 175.55 175.41 1j1h s LEU 55 N -1.09 4.37 0.11 -1.29 1.43 -0.75 -1.31 118.68 120.15 1j1h s LEU 55 Ca 0.30 2.88 0.00 0.00 -1.03 0.00 0.00 54.13 56.28 1j1h s LEU 55 Cb -0.20 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.36 1j1h s LEU 55 CO 0.21 -0.72 0.00 1.21 0.23 0.00 0.00 176.35 177.28 1j1h n GLU 56 N 0.68 0.00 -0.61 1.70 4.07 0.08 -4.63 120.64 121.94 1j1h n GLU 56 Ca 0.01 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 57.16 1j1h n GLU 56 Cb 0.40 -0.19 0.28 0.00 -0.06 0.00 0.00 31.44 31.88 1j1h n GLU 56 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1j1h n ASN 57 N -3.12 4.15 -4.36 4.31 5.15 -0.63 -4.84 115.26 115.92 1j1h n ASN 57 Ca 0.00 -3.10 -0.44 0.00 -0.60 0.00 0.00 54.58 50.44 1j1h n ASN 57 Cb 0.00 -0.60 -0.07 0.00 -0.53 0.00 0.00 39.78 38.58 1j1h n ASN 57 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1j1h s LEU 58 N -2.88 5.68 -0.16 1.20 1.43 -1.25 -4.07 118.68 118.63 1j1h s LEU 58 Ca 0.46 -1.44 -0.14 0.00 -1.03 0.00 0.00 54.13 51.99 1j1h s LEU 58 Cb 0.37 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 1j1h s LEU 58 CO 0.10 -0.67 0.28 -0.31 0.23 0.00 0.00 176.35 175.98 1j1h s TYR 59 N 1.61 3.47 -0.45 0.29 2.02 -1.26 -3.73 117.35 119.29 1j1h s TYR 59 Ca 0.04 0.59 -0.21 0.00 -0.37 0.00 0.00 57.07 57.12 1j1h s TYR 59 Cb -0.25 -2.32 0.03 0.00 -0.40 0.00 0.00 41.96 39.01 1j1h s TYR 59 CO 0.05 0.26 0.65 0.42 -1.57 0.00 0.00 175.55 175.36 1j1h s ILE 60 N 0.41 4.82 -0.36 2.71 1.01 -1.26 -2.72 121.20 125.80 1j1h s ILE 60 Ca 0.16 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.88 1j1h s ILE 60 Cb -0.13 -4.23 0.11 0.00 0.01 0.00 0.00 42.46 38.22 1j1h s ILE 60 CO 0.04 -0.64 0.10 0.00 0.00 0.00 0.00 174.94 174.44 1j1h s ALA 61 N 2.84 2.41 -0.24 9.38 0.00 -0.27 -4.53 121.76 131.35 1j1h s ALA 61 Ca 0.22 -2.33 0.02 0.00 0.00 0.00 0.00 51.96 49.87 1j1h s ALA 61 Cb -0.15 -1.86 0.22 0.00 0.00 0.00 0.00 23.12 21.33 1j1h s ALA 61 CO 0.18 -1.75 1.23 -0.35 0.00 0.00 0.00 175.76 175.07 1j1h n PRO 62 N 4.27 1.54 -2.83 0.00 -0.04 -1.26 -3.39 135.00 133.29 1j1h n PRO 62 Ca 0.03 -0.96 -0.11 0.00 -0.04 0.00 0.00 63.50 62.41 1j1h n PRO 62 Cb 0.40 -1.44 0.04 0.00 -0.04 0.00 0.00 33.50 32.47 1j1h n PRO 62 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1j1h n TYR 63 N 0.01 -0.34 -2.34 0.54 4.11 -1.26 -4.89 117.16 112.99 1j1h n TYR 63 Ca 0.17 -2.83 -0.17 0.00 -0.00 0.00 0.00 57.90 55.07 1j1h n TYR 63 Cb 0.82 0.25 0.03 0.00 -0.00 0.00 0.00 39.34 40.44 1j1h n TYR 63 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 1j1h n GLU 64 N -0.01 2.93 -0.38 -3.48 0.28 -1.26 -4.68 120.64 114.04 1j1h n GLU 64 Ca 0.11 -3.98 0.00 0.00 -0.16 0.00 0.00 57.16 53.13 1j1h n GLU 64 Cb 0.76 -2.03 0.00 0.00 1.43 0.00 0.00 31.44 31.61 1j1h n GLU 64 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1j1h n LYS 65 N -0.61 0.00 -0.51 3.44 4.81 -1.26 -4.96 118.16 119.07 1j1h n LYS 65 Ca 0.31 -0.82 0.00 0.00 -0.87 0.00 0.00 58.31 56.94 1j1h n LYS 65 Cb 0.88 -0.47 0.00 0.00 0.02 0.00 0.00 35.03 35.46 1j1h n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j1h n GLY 66 N 0.00 0.73 3.45 3.14 0.00 -1.26 -5.05 105.19 106.20 1j1h n GLY 66 Ca 0.00 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.13 4.51 0.00 1.61 0.15 -1.26 -5.10 113.70 111.48 1j1h s SER 67 Ca 0.00 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1j1h s SER 67 Cb 0.00 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 1j1h s SER 67 CO 0.00 0.17 0.00 -1.22 1.20 0.00 0.00 173.24 173.39 1j1h n TYR 68 N 3.51 0.00 -3.16 3.44 4.01 -1.26 -4.66 117.16 119.04 1j1h n TYR 68 Ca -0.18 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.49 1j1h n TYR 68 Cb 0.53 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.56 1j1h n TYR 68 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1j1h n ALA 69 N -3.00 -2.34 -3.00 -0.72 0.00 -1.26 -4.99 120.51 105.20 1j1h n ALA 69 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1j1h n ALA 69 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1j1h n ALA 69 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1j1h n ASN 70 N 0.87 0.00 -4.78 0.00 2.04 -1.26 -5.16 115.26 106.96 1j1h n ASN 70 Ca -0.01 -0.88 -0.30 0.00 -0.44 0.00 0.00 54.58 52.95 1j1h n ASN 70 Cb 0.45 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.64 1j1h n ASN 70 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 1j1h s VAL 71 N -2.87 4.53 0.35 3.53 -7.23 -1.26 -5.10 120.40 112.36 1j1h s VAL 71 Ca 0.00 -0.81 -0.20 0.00 -1.81 0.00 0.00 61.98 59.16 1j1h s VAL 71 Cb 0.00 -3.20 -0.10 0.00 0.56 0.00 0.00 36.38 33.64 1j1h s VAL 71 CO 0.00 0.09 0.85 -1.81 -0.31 0.00 0.00 175.10 173.92 1j1h s ASP 72 N -2.50 6.95 -0.10 4.85 1.01 -1.26 -4.94 116.67 120.69 1j1h s ASP 72 Ca 0.30 1.54 -0.27 0.00 0.71 0.00 0.00 52.55 54.82 1j1h s ASP 72 Cb -0.12 -2.47 -0.25 0.00 1.01 0.00 0.00 42.92 41.09 1j1h s ASP 72 CO 0.22 -0.22 0.90 1.55 0.21 0.00 0.00 175.17 177.83 1j1h h PRO 73 N 2.39 0.06 0.00 8.23 0.13 -1.98 -3.48 132.00 137.35 1j1h h PRO 73 Ca -0.48 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1j1h h PRO 73 Cb 1.18 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1j1h h PRO 73 CO 0.64 0.93 0.00 0.54 -0.23 0.00 0.00 178.00 179.88 1j1h n ARG 74 N -4.58 0.00 -2.69 0.86 1.74 -1.26 -4.96 116.66 105.77 1j1h n ARG 74 Ca -0.10 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.93 1j1h n ARG 74 Cb 0.48 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.93 1j1h n ARG 74 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1j1h n ARG 75 N 0.00 -1.83 -1.52 5.56 5.12 -1.26 -4.72 116.66 118.01 1j1h n ARG 75 Ca 0.00 1.76 0.00 0.00 -1.93 0.00 0.00 57.85 57.68 1j1h n ARG 75 Cb 0.00 -5.07 0.00 0.00 -1.16 0.00 0.00 32.46 26.23 1j1h n ARG 75 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1j1h n LYS 76 N -0.62 -3.94 0.00 5.56 0.00 -1.24 -4.89 118.16 113.02 1j1h n LYS 76 Ca 0.08 2.90 0.00 0.00 0.00 0.00 0.00 58.31 61.29 1j1h n LYS 76 Cb 0.41 -3.04 0.00 0.00 0.00 0.00 0.00 35.03 32.40 1j1h n LYS 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1j1h n ARG 77 N 0.96 2.85 -3.45 1.64 0.63 -1.26 -4.94 116.66 113.09 1j1h n ARG 77 Ca 0.00 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.65 1j1h n ARG 77 Cb 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.80 1j1h n ARG 77 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1j1h s LYS 78 N 4.95 0.88 0.94 -0.14 3.01 -1.26 -1.80 119.74 126.32 1j1h s LYS 78 Ca 0.00 -1.94 -0.12 0.00 -1.01 0.00 0.00 55.97 52.90 1j1h s LYS 78 Cb 0.00 -1.50 0.06 0.00 -1.01 0.00 0.00 37.83 35.38 1j1h s LYS 78 CO 0.00 -1.33 0.60 1.28 0.51 0.00 0.00 175.35 176.42 1j1h n LEU 79 N 3.17 0.74 -4.37 3.17 4.77 0.21 -4.76 117.00 119.94 1j1h n LEU 79 Ca 0.24 0.36 -0.34 0.00 -0.03 0.00 0.00 56.01 56.23 1j1h n LEU 79 Cb 0.44 -1.28 -0.14 0.00 -2.33 0.00 0.00 43.42 40.11 1j1h n LEU 79 CO 0.11 -3.24 -0.39 -0.76 -1.33 0.00 0.00 177.39 171.79 1j1h s LEU 80 N -2.52 2.96 -0.12 2.23 2.01 -1.25 -2.97 118.68 119.01 1j1h s LEU 80 Ca 0.60 -0.31 0.03 0.00 0.01 0.00 0.00 54.13 54.45 1j1h s LEU 80 Cb -0.22 -1.73 0.01 0.00 0.01 0.00 0.00 46.19 44.26 1j1h s LEU 80 CO 0.65 0.06 -0.22 -0.76 1.01 0.00 0.00 176.35 177.09 1j1h s LEU 81 N 1.00 2.05 0.27 1.79 1.43 -1.26 -1.41 118.68 122.55 1j1h s LEU 81 Ca 0.00 -0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 52.24 1j1h s LEU 81 Cb -0.15 -1.38 -0.13 0.00 0.03 0.00 0.00 46.19 44.56 1j1h s LEU 81 CO 0.00 0.10 1.39 1.41 0.23 0.00 0.00 176.35 179.49 1j1h n HIS 82 N 3.88 2.24 -0.03 0.29 8.25 -1.26 -4.25 115.22 124.33 1j1h n HIS 82 Ca -0.20 0.45 0.09 0.00 -0.26 0.00 0.00 57.72 57.80 1j1h n HIS 82 Cb 0.52 -2.46 0.48 0.00 1.12 0.00 0.00 29.99 29.65 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 3.86 0.43 -0.68 -0.41 3.11 -1.88 -0.14 116.57 120.84 1j1h h LYS 83 Ca -0.45 -0.03 0.09 0.00 -2.81 0.00 0.00 60.65 57.45 1j1h h LYS 83 Cb 1.27 -0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 32.36 1j1h h LYS 83 CO 0.73 0.28 0.45 0.45 -2.81 0.00 0.00 179.45 178.55 1j1h h HIS 84 N 0.44 0.61 -0.10 1.91 3.86 -1.95 -1.68 115.15 118.25 1j1h h HIS 84 Ca 0.22 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.28 1j1h h HIS 84 Cb 0.29 -0.20 0.01 0.00 1.06 0.00 0.00 27.41 28.57 1j1h h HIS 84 CO -0.00 0.30 -0.57 0.93 0.86 0.00 0.00 177.93 179.45 1j1h h GLU 85 N 0.58 0.56 -0.16 2.45 5.08 -1.36 -3.25 114.58 118.48 1j1h h GLU 85 Ca 0.31 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1j1h h GLU 85 Cb 0.45 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1j1h h GLU 85 CO -0.10 1.10 0.06 1.25 -1.00 0.00 0.00 179.01 180.31 1j1h h LEU 86 N 0.17 0.23 -0.91 1.33 5.85 -0.93 -3.04 115.31 118.00 1j1h h LEU 86 Ca -0.04 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 1j1h h LEU 86 Cb 1.22 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1j1h h LEU 86 CO 0.12 0.35 -0.36 -0.09 -0.34 0.00 0.00 178.44 178.12 1j1h h ARG 87 N 0.09 0.36 0.03 1.25 2.43 -1.52 -2.99 114.38 114.02 1j1h h ARG 87 Ca 0.05 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 1j1h h ARG 87 Cb 0.20 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1j1h h ARG 87 CO -0.00 0.67 -0.27 0.00 -1.51 0.00 0.00 179.97 178.86 1j1h h ARG 88 N 0.31 0.13 -0.16 0.20 3.08 -1.58 -3.05 114.38 113.31 1j1h h ARG 88 Ca 0.03 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.82 1j1h h ARG 88 Cb 0.77 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 1j1h h ARG 88 CO 0.06 1.00 -0.23 1.25 -1.07 0.00 0.00 179.97 180.99 1j1h h LEU 89 N -0.65 0.47 -1.54 3.04 7.12 -1.65 -3.13 115.31 118.97 1j1h h LEU 89 Ca -0.04 -0.52 -0.01 0.00 0.13 0.00 0.00 57.88 57.44 1j1h h LEU 89 Cb 1.12 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 41.10 1j1h h LEU 89 CO 0.05 0.90 0.14 0.25 -0.13 0.00 0.00 178.44 179.65 1j1h h LEU 90 N 0.06 0.40 -2.63 2.25 7.12 -1.69 -2.48 115.31 118.34 1j1h h LEU 90 Ca 0.02 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.00 1j1h h LEU 90 Cb 0.79 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.82 1j1h h LEU 90 CO 0.05 0.36 0.08 1.23 -0.13 0.00 0.00 178.44 180.02 1j1h h GLY 91 N 0.58 0.00 1.01 3.75 0.00 -1.47 -2.57 103.07 104.37 1j1h h GLY 91 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.12 1j1h h GLY 91 CO -0.01 0.00 -1.70 0.50 0.00 0.00 0.00 176.54 175.33 1j1h h LYS 92 N 0.00 0.22 0.00 4.80 1.79 -1.58 -3.35 116.57 118.46 1j1h h LYS 92 Ca 0.00 -0.38 -0.03 0.00 -2.18 0.00 0.00 60.65 58.07 1j1h h LYS 92 Cb 0.15 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1j1h h LYS 92 CO 0.00 1.05 -0.12 -0.39 -1.08 0.00 0.00 179.45 178.91 1j1h h VAL 93 N 0.06 0.97 0.00 0.50 -1.51 -1.58 -2.75 116.25 111.95 1j1h h VAL 93 Ca -0.30 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 1j1h h VAL 93 Cb 2.03 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 32.43 1j1h h VAL 93 CO 0.13 0.12 0.18 1.21 -1.23 0.00 0.00 177.57 177.98 1j1h n GLU 94 N -4.22 0.09 0.00 5.19 2.13 -1.22 -3.85 120.64 118.75 1j1h n GLU 94 Ca -0.03 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.34 1j1h n GLU 94 Cb 0.20 -1.96 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 0.94 -0.41 0.00 0.00 177.13 177.66 1j1h n GLN 95 N -1.97 0.00 -3.15 5.31 7.27 -1.04 -4.94 117.38 118.86 1j1h n GLN 95 Ca -0.01 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.11 1j1h n GLN 95 Cb 0.20 -0.24 -0.02 0.00 2.41 0.00 0.00 30.24 32.59 1j1h n GLN 95 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1j1h s LYS 96 N 0.00 0.21 0.00 3.69 -0.14 -1.25 -4.94 119.74 117.31 1j1h s LYS 96 Ca 0.00 0.37 0.00 0.00 -1.36 0.00 0.00 55.97 54.98 1j1h s LYS 96 Cb 0.00 0.20 0.00 0.00 -1.68 0.00 0.00 37.83 36.35 1j1h s LYS 96 CO 0.00 -0.22 0.00 0.41 -0.76 0.00 0.00 175.35 174.78 1j1h n GLY 97 N 5.46 0.93 3.78 -3.33 0.00 -1.26 -4.76 105.19 106.01 1j1h n GLY 97 Ca -0.07 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 1j1h n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j1h s LEU 98 N 0.00 3.76 0.11 0.99 1.02 -1.26 -1.96 118.68 121.33 1j1h s LEU 98 Ca 0.00 -0.14 0.04 0.00 0.02 0.00 0.00 54.13 54.05 1j1h s LEU 98 Cb 0.00 -2.38 -0.04 0.00 0.02 0.00 0.00 46.19 43.79 1j1h s LEU 98 CO 0.00 0.09 -0.10 0.42 0.02 0.00 0.00 176.35 176.78 1j1h s THR 99 N -1.69 0.96 -0.19 5.49 -4.23 -1.11 -4.87 115.64 110.00 1j1h s THR 99 Ca 0.30 -1.74 -0.04 0.00 -1.18 0.00 0.00 61.69 59.03 1j1h s THR 99 Cb -0.10 -1.48 -0.02 0.00 1.34 0.00 0.00 72.50 72.24 1j1h s THR 99 CO 0.23 -0.62 -0.04 -1.48 -0.54 0.00 0.00 174.62 172.16 1j1h s LEU 100 N -2.63 3.04 -0.12 4.79 0.05 -1.26 -2.81 118.68 119.74 1j1h s LEU 100 Ca 0.08 -0.28 -0.05 0.00 0.05 0.00 0.00 54.13 53.93 1j1h s LEU 100 Cb -0.01 -1.76 0.05 0.00 -2.05 0.00 0.00 46.19 42.43 1j1h s LEU 100 CO -0.00 0.06 0.25 0.54 -0.55 0.00 0.00 176.35 176.65 1j1h s VAL 101 N 1.00 -0.19 -1.18 1.48 0.11 -1.25 -2.57 120.40 117.80 1j1h s VAL 101 Ca 0.01 0.20 -0.20 0.00 -2.93 0.00 0.00 61.98 59.06 1j1h s VAL 101 Cb -0.15 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.26 1j1h s VAL 101 CO 0.01 0.08 1.92 -0.81 -3.33 0.00 0.00 175.10 172.97 1j1h n PRO 102 N 4.70 2.25 -0.37 1.54 -0.04 -1.26 -1.37 135.00 140.46 1j1h n PRO 102 Ca -0.17 -2.60 0.29 0.00 -0.04 0.00 0.00 63.50 60.97 1j1h n PRO 102 Cb 0.52 -3.43 0.55 0.00 -0.04 0.00 0.00 33.50 31.10 1j1h n PRO 102 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 1j1h h LEU 103 N 14.18 0.39 -7.96 1.53 -0.00 0.17 -3.40 115.31 120.22 1j1h h LEU 103 Ca 0.39 0.15 -0.55 0.00 -0.00 0.00 0.00 57.88 57.87 1j1h h LEU 103 Cb 0.82 0.12 -0.34 0.00 -0.00 0.00 0.00 40.66 41.25 1j1h h LEU 103 CO 1.55 -0.13 -0.82 -0.75 -0.00 0.00 0.00 178.44 178.29 1j1h s LYS 104 N -5.49 1.93 -0.17 0.17 2.20 -0.92 -1.06 119.74 116.41 1j1h s LYS 104 Ca -0.09 -0.47 -0.01 0.00 -0.36 0.00 0.00 55.97 55.05 1j1h s LYS 104 Cb 0.29 -1.66 -0.00 0.00 -1.51 0.00 0.00 37.83 34.95 1j1h s LYS 104 CO 0.80 -0.05 -0.13 0.42 -0.36 0.00 0.00 175.35 176.03 1j1h s ILE 105 N 0.93 2.79 0.06 5.43 1.01 -1.26 -1.17 121.20 128.99 1j1h s ILE 105 Ca -0.09 -0.72 0.09 0.00 0.00 0.00 0.00 60.65 59.93 1j1h s ILE 105 Cb -0.15 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1j1h s ILE 105 CO 0.00 0.50 -0.24 -0.31 0.00 0.00 0.00 174.94 174.89 1j1h s TYR 106 N 0.92 2.39 0.07 3.97 1.51 0.35 -4.23 117.35 122.33 1j1h s TYR 106 Ca -0.03 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 55.71 1j1h s TYR 106 Cb -0.15 -1.38 -0.03 0.00 -0.11 0.00 0.00 41.96 40.29 1j1h s TYR 106 CO -0.01 0.21 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.47 1j1h s PHE 107 N -0.90 0.97 -0.06 2.71 0.40 -1.26 -1.00 117.98 118.84 1j1h s PHE 107 Ca 0.13 -0.54 -0.11 0.00 -0.60 0.00 0.00 56.93 55.81 1j1h s PHE 107 Cb -0.10 -0.55 0.02 0.00 0.51 0.00 0.00 43.02 42.90 1j1h s PHE 107 CO 0.04 -0.01 0.28 -0.80 0.70 0.00 0.00 175.22 175.43 1j1h s ASN 108 N -1.91 -0.22 0.00 1.36 0.01 -0.90 -4.90 114.94 108.38 1j1h s ASN 108 Ca -0.02 0.31 0.04 0.00 -0.71 0.00 0.00 52.86 52.47 1j1h s ASN 108 Cb -0.08 0.45 0.21 0.00 0.41 0.00 0.00 41.25 42.24 1j1h s ASN 108 CO 0.01 -0.26 0.86 -1.84 -1.51 0.00 0.00 177.10 174.36 1j1h n GLU 109 N 2.15 0.08 -0.20 -0.60 0.00 -1.26 -2.01 120.64 118.79 1j1h n GLU 109 Ca -0.17 0.16 0.02 0.00 0.00 0.00 0.00 57.16 57.17 1j1h n GLU 109 Cb 0.57 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.61 1j1h n GLU 109 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1j1h n ARG 110 N -1.19 1.89 -2.32 3.44 0.63 -1.26 -4.79 116.66 113.07 1j1h n ARG 110 Ca 0.02 -0.80 -0.17 0.00 -0.92 0.00 0.00 57.85 55.98 1j1h n ARG 110 Cb 0.02 -1.57 -0.01 0.00 0.45 0.00 0.00 32.46 31.36 1j1h n ARG 110 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j1h n GLY 111 N 0.32 -0.32 2.94 5.14 0.00 -0.85 -4.95 105.19 107.47 1j1h n GLY 111 Ca 0.07 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1j1h n GLY 111 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1j1h s TYR 112 N -2.86 2.50 -0.04 1.61 5.04 -1.21 -4.21 117.35 118.18 1j1h s TYR 112 Ca 0.00 -1.89 0.06 0.00 -2.44 0.00 0.00 57.07 52.81 1j1h s TYR 112 Cb 0.00 -1.72 -0.01 0.00 0.35 0.00 0.00 41.96 40.58 1j1h s TYR 112 CO 0.00 -0.80 -0.24 0.00 -1.34 0.00 0.00 175.55 173.17 1j1h s ALA 113 N 1.36 2.05 -0.18 3.97 0.00 0.22 -2.12 121.76 127.06 1j1h s ALA 113 Ca -0.03 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 50.81 1j1h s ALA 113 Cb -0.19 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 1j1h s ALA 113 CO -0.08 0.43 0.16 0.15 0.00 0.00 0.00 175.76 176.42 1j1h s LYS 114 N -0.28 4.10 -0.07 0.00 -0.14 -0.17 -1.50 119.74 121.67 1j1h s LYS 114 Ca 0.01 -0.15 0.05 0.00 -1.36 0.00 0.00 55.97 54.51 1j1h s LYS 114 Cb -0.12 -3.39 -0.00 0.00 -1.68 0.00 0.00 37.83 32.64 1j1h s LYS 114 CO 0.02 0.36 -0.23 0.08 -0.76 0.00 0.00 175.35 174.81 1j1h s VAL 115 N 0.18 1.97 -0.17 3.17 1.01 -1.04 -0.50 120.40 125.02 1j1h s VAL 115 Ca 0.10 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1j1h s VAL 115 Cb -0.11 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1j1h s VAL 115 CO -0.00 0.54 -0.11 -0.22 0.00 0.00 0.00 175.10 175.31 1j1h s LEU 116 N 0.09 2.70 -0.15 3.92 2.96 -0.32 -2.60 118.68 125.29 1j1h s LEU 116 Ca -0.10 -0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 53.37 1j1h s LEU 116 Cb -0.15 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 1j1h s LEU 116 CO 0.06 0.08 0.02 -0.22 -1.32 0.00 0.00 176.35 174.96 1j1h s LEU 117 N 0.87 3.59 -0.19 -0.68 1.98 -0.66 0.19 118.68 123.78 1j1h s LEU 117 Ca -0.03 0.04 -0.01 0.00 -2.89 0.00 0.00 54.13 51.24 1j1h s LEU 117 Cb -0.15 -1.87 0.05 0.00 0.66 0.00 0.00 46.19 44.88 1j1h s LEU 117 CO 0.00 0.23 -0.01 -0.83 -1.89 0.00 0.00 176.35 173.86 1j1h s GLY 118 N 0.01 0.88 -0.04 7.98 0.00 -0.47 -3.14 107.32 112.54 1j1h s GLY 118 Ca 0.03 -0.84 -0.23 0.00 0.00 0.00 0.00 44.72 43.69 1j1h s GLY 118 CO 0.02 1.19 0.69 -2.27 0.00 0.00 0.00 173.10 172.72 1j1h s LEU 119 N 1.71 4.36 -0.09 0.66 2.96 -0.23 -3.94 118.68 124.11 1j1h s LEU 119 Ca -0.01 1.23 0.02 0.00 -0.22 0.00 0.00 54.13 55.14 1j1h s LEU 119 Cb -0.17 -3.08 -0.02 0.00 0.50 0.00 0.00 46.19 43.42 1j1h s LEU 119 CO -0.07 -0.05 -0.14 0.00 -1.32 0.00 0.00 176.35 174.77 1j1h s ALA 120 N 0.47 2.63 -0.42 5.97 0.00 -1.12 -0.54 121.76 128.76 1j1h s ALA 120 Ca 0.36 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 51.22 1j1h s ALA 120 Cb -0.18 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 21.86 1j1h s ALA 120 CO 0.19 0.39 0.43 -0.98 0.00 0.00 0.00 175.76 175.79 1j1h s ARG 121 N -0.13 3.10 0.66 0.00 1.70 -1.26 -2.76 118.95 120.26 1j1h s ARG 121 Ca -0.01 -0.76 0.38 0.00 -0.47 0.00 0.00 55.73 54.87 1j1h s ARG 121 Cb -0.14 -3.96 2.07 0.00 -0.57 0.00 0.00 34.95 32.35 1j1h s ARG 121 CO 0.03 -0.85 2.19 0.78 -1.08 0.00 0.00 175.30 176.38 1j1h h GLY 122 N 9.04 0.00 1.00 3.88 0.00 -1.69 -3.49 103.07 111.81 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 0.79 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.61