#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 -1.58 -0.26 3.04 0.00 -1.26 -5.12 121.76 116.58 1j1h s ALA 2 Ca 0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 51.96 51.24 1j1h s ALA 2 Cb 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.63 1j1h s ALA 2 CO 0.00 -2.19 1.21 -1.25 0.00 0.00 0.00 175.76 173.53 1j1h s PRO 3 N 1.36 4.08 0.45 0.00 0.04 -1.26 -4.88 135.00 134.79 1j1h s PRO 3 Ca 0.21 1.34 -0.24 0.00 0.04 0.00 0.00 61.00 62.35 1j1h s PRO 3 Cb -0.05 -3.79 -0.08 0.00 0.04 0.00 0.00 34.50 30.63 1j1h s PRO 3 CO -0.06 -0.89 1.28 0.54 0.04 0.00 0.00 177.00 177.90 1j1h s VAL 4 N 3.82 2.63 0.59 -0.36 0.11 -1.25 -4.75 120.40 121.19 1j1h s VAL 4 Ca 0.52 0.52 0.00 0.00 -2.93 0.00 0.00 61.98 60.09 1j1h s VAL 4 Cb -0.17 -3.29 0.00 0.00 -1.53 0.00 0.00 36.38 31.39 1j1h s VAL 4 CO 0.17 0.04 0.00 0.18 -3.33 0.00 0.00 175.10 172.16 1j1h n LEU 5 N -0.26 -1.89 -4.02 2.54 4.77 -1.24 -4.25 117.00 112.65 1j1h n LEU 5 Ca 0.06 3.02 -0.10 0.00 -0.03 0.00 0.00 56.01 58.97 1j1h n LEU 5 Cb 0.45 -3.28 -0.11 0.00 -2.33 0.00 0.00 43.42 38.15 1j1h n LEU 5 CO 0.53 -0.45 -0.37 -1.61 -1.33 0.00 0.00 177.39 174.16 1j1h s GLU 6 N -4.89 0.41 -0.87 3.23 0.41 -1.26 -4.17 118.70 111.56 1j1h s GLU 6 Ca 0.00 -0.75 -0.16 0.00 -0.41 0.00 0.00 54.97 53.66 1j1h s GLU 6 Cb 0.00 0.03 0.19 0.00 -1.78 0.00 0.00 34.13 32.56 1j1h s GLU 6 CO 0.00 -0.04 0.91 0.54 -0.49 0.00 0.00 175.26 176.18 1j1h s ASN 7 N -1.73 6.72 -0.01 -0.19 4.22 -0.88 -4.38 114.94 118.68 1j1h s ASN 7 Ca -0.11 -2.46 -0.20 0.00 -2.14 0.00 0.00 52.86 47.95 1j1h s ASN 7 Cb -0.07 -2.28 -0.27 0.00 1.28 0.00 0.00 41.25 39.91 1j1h s ASN 7 CO -0.02 -0.76 1.02 -0.09 -2.04 0.00 0.00 177.10 175.21 1j1h h ARG 8 N 8.16 0.38 0.00 3.55 2.43 -1.80 -3.30 114.38 123.80 1j1h h ARG 8 Ca 0.13 -0.50 -0.02 0.00 -0.81 0.00 0.00 59.98 58.78 1j1h h ARG 8 Cb 1.03 0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1j1h h ARG 8 CO 0.89 1.18 -0.09 0.00 -1.51 0.00 0.00 179.97 180.44 1j1h h ARG 9 N -0.18 0.00 0.04 0.20 2.47 -1.90 0.45 114.38 115.45 1j1h h ARG 9 Ca -0.11 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.31 1j1h h ARG 9 Cb 1.48 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.77 1j1h h ARG 9 CO 0.14 0.09 -1.64 0.00 0.56 0.00 0.00 179.97 179.12 1j1h n ALA 10 N -2.45 0.88 0.13 0.04 0.00 -1.26 0.19 120.51 118.04 1j1h n ALA 10 Ca -0.03 -0.60 -0.02 0.00 0.00 0.00 0.00 53.44 52.80 1j1h n ALA 10 Cb 0.17 -0.51 0.16 0.00 0.00 0.00 0.00 19.45 19.27 1j1h n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j1h h ARG 11 N -0.65 0.03 0.03 0.00 2.47 -1.64 -2.55 114.38 112.06 1j1h h ARG 11 Ca -0.41 -0.02 -0.36 0.00 -1.26 0.00 0.00 59.98 57.92 1j1h h ARG 11 Cb 1.57 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.84 1j1h h ARG 11 CO -0.14 0.64 -2.22 0.72 0.56 0.00 0.00 179.97 179.53 1j1h n HIS 12 N -3.81 0.45 -0.04 3.04 8.25 0.14 -4.80 115.22 118.46 1j1h n HIS 12 Ca -0.01 0.12 -0.04 0.00 -0.26 0.00 0.00 57.72 57.52 1j1h n HIS 12 Cb 0.62 -1.07 -0.05 0.00 1.12 0.00 0.00 29.99 30.61 1j1h n HIS 12 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1j1h n ASP 13 N -3.14 3.36 -3.91 0.41 -0.08 0.11 -4.99 116.55 108.32 1j1h n ASP 13 Ca -0.34 -0.02 -0.10 0.00 -1.51 0.00 0.00 54.79 52.82 1j1h n ASP 13 Cb 1.06 0.32 -0.09 0.00 2.34 0.00 0.00 41.12 44.75 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 -2.16 0.14 0.00 -0.67 6.14 0.13 -4.92 117.35 116.01 1j1h s TYR 14 Ca -0.07 -0.38 -0.26 0.00 0.64 0.00 0.00 57.07 57.01 1j1h s TYR 14 Cb 0.02 -0.11 -0.04 0.00 0.42 0.00 0.00 41.96 42.25 1j1h s TYR 14 CO 0.24 -0.34 0.80 -2.00 0.64 0.00 0.00 175.55 174.88 1j1h s GLU 15 N -2.21 4.50 -0.20 4.97 2.12 -1.26 -4.36 118.70 122.26 1j1h s GLU 15 Ca -0.08 1.10 -0.20 0.00 0.36 0.00 0.00 54.97 56.14 1j1h s GLU 15 Cb -0.03 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.92 1j1h s GLU 15 CO -0.03 0.14 0.61 0.42 -0.54 0.00 0.00 175.26 175.87 1j1h s ILE 16 N 0.44 5.03 0.06 -3.70 -1.09 -1.26 -4.51 121.20 116.17 1j1h s ILE 16 Ca 0.41 1.14 -0.10 0.00 -2.23 0.00 0.00 60.65 59.87 1j1h s ILE 16 Cb -0.20 -3.93 -0.30 0.00 -1.58 0.00 0.00 42.46 36.46 1j1h s ILE 16 CO 0.23 0.11 1.10 0.25 -1.23 0.00 0.00 174.94 175.40 1j1h h LEU 17 N 8.23 0.67 -7.80 2.97 6.46 -1.52 -3.46 115.31 120.86 1j1h h LEU 17 Ca -0.31 -0.68 -0.29 0.00 -0.12 0.00 0.00 57.88 56.48 1j1h h LEU 17 Cb 1.14 -0.22 -0.29 0.00 -0.73 0.00 0.00 40.66 40.57 1j1h h LEU 17 CO 0.77 1.52 -0.74 -1.61 -0.62 0.00 0.00 178.44 177.75 1j1h s GLU 18 N -2.77 0.25 0.07 1.25 0.41 -1.23 -4.99 118.70 111.69 1j1h s GLU 18 Ca -0.07 -0.08 0.02 0.00 -0.41 0.00 0.00 54.97 54.43 1j1h s GLU 18 Cb 0.06 -0.26 -0.03 0.00 -1.78 0.00 0.00 34.13 32.11 1j1h s GLU 18 CO 0.91 0.04 -0.07 0.95 -0.49 0.00 0.00 175.26 176.60 1j1h s THR 19 N 0.07 0.60 0.04 3.63 -4.23 -1.26 -0.37 115.64 114.12 1j1h s THR 19 Ca -0.00 -1.58 -0.03 0.00 -1.18 0.00 0.00 61.69 58.90 1j1h s THR 19 Cb -0.03 -1.23 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 1j1h s THR 19 CO -0.00 -0.68 0.02 -0.72 -0.54 0.00 0.00 174.62 172.70 1j1h s TYR 20 N -2.72 0.32 -0.15 3.99 -0.85 -1.18 -4.34 117.35 112.42 1j1h s TYR 20 Ca 0.03 -0.70 0.01 0.00 -0.52 0.00 0.00 57.07 55.89 1j1h s TYR 20 Cb -0.01 -0.24 0.01 0.00 0.38 0.00 0.00 41.96 42.10 1j1h s TYR 20 CO -0.03 -0.32 -0.19 -2.00 -1.52 0.00 0.00 175.55 171.49 1j1h s GLU 21 N -2.73 3.09 0.33 -3.49 2.12 -1.26 -1.32 118.70 115.43 1j1h s GLU 21 Ca -0.04 -0.81 0.08 0.00 0.36 0.00 0.00 54.97 54.56 1j1h s GLU 21 Cb -0.01 -2.53 -0.04 0.00 0.26 0.00 0.00 34.13 31.82 1j1h s GLU 21 CO -0.05 -0.04 0.19 0.00 -0.54 0.00 0.00 175.26 174.82 1j1h s ALA 22 N 0.90 3.61 -0.34 6.30 0.00 -0.95 -4.65 121.76 126.62 1j1h s ALA 22 Ca -0.05 -1.73 0.04 0.00 0.00 0.00 0.00 51.96 50.22 1j1h s ALA 22 Cb -0.15 -0.92 0.10 0.00 0.00 0.00 0.00 23.12 22.15 1j1h s ALA 22 CO -0.03 0.05 0.05 0.20 0.00 0.00 0.00 175.76 176.04 1j1h s GLY 23 N -3.89 1.93 -0.32 0.00 0.00 -0.31 -2.07 107.32 102.65 1j1h s GLY 23 Ca 0.38 -2.54 -0.14 0.00 0.00 0.00 0.00 44.72 42.42 1j1h s GLY 23 CO 0.24 0.95 0.32 -0.42 0.00 0.00 0.00 173.10 174.19 1j1h s ILE 24 N 0.89 5.21 0.49 0.90 1.09 -0.43 -3.85 121.20 125.50 1j1h s ILE 24 Ca 0.11 0.10 -0.05 0.00 -1.10 0.00 0.00 60.65 59.71 1j1h s ILE 24 Cb -0.19 -3.75 -0.02 0.00 -1.06 0.00 0.00 42.46 37.43 1j1h s ILE 24 CO -0.08 0.00 0.78 0.00 -0.10 0.00 0.00 174.94 175.54 1j1h s ALA 25 N 1.94 3.43 0.22 9.38 0.00 -1.26 -1.05 121.76 134.42 1j1h s ALA 25 Ca 0.11 -0.61 0.11 0.00 0.00 0.00 0.00 51.96 51.57 1j1h s ALA 25 Cb -0.16 -2.53 -0.05 0.00 0.00 0.00 0.00 23.12 20.38 1j1h s ALA 25 CO 0.11 -0.42 -0.21 -0.48 0.00 0.00 0.00 175.76 174.76 1j1h s LEU 26 N -4.75 2.50 0.00 0.00 2.34 -1.26 -4.94 118.68 112.56 1j1h s LEU 26 Ca 0.48 -0.93 -0.13 0.00 0.06 0.00 0.00 54.13 53.61 1j1h s LEU 26 Cb -0.10 -1.08 0.17 0.00 -0.56 0.00 0.00 46.19 44.62 1j1h s LEU 26 CO 0.44 0.06 0.96 1.17 -1.06 0.00 0.00 176.35 177.92 1j1h n LYS 27 N -0.09 -1.15 -0.10 1.48 4.81 -1.26 -4.61 118.16 117.23 1j1h n LYS 27 Ca -0.10 -1.49 -0.10 0.00 -0.87 0.00 0.00 58.31 55.75 1j1h n LYS 27 Cb 0.58 -1.03 -0.03 0.00 0.02 0.00 0.00 35.03 34.57 1j1h n LYS 27 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1j1h h GLY 28 N -1.39 0.56 0.90 3.14 0.00 -2.00 -2.84 103.07 101.43 1j1h h GLY 28 Ca -0.32 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1j1h h GLY 28 CO 0.22 0.35 -0.38 -1.30 0.00 0.00 0.00 176.54 175.43 1j1h n THR 29 N -4.61 0.00 -0.05 4.70 -2.24 -1.26 -3.68 114.28 107.13 1j1h n THR 29 Ca -0.02 -0.03 0.14 0.00 -2.27 0.00 0.00 64.05 61.87 1j1h n THR 29 Cb 0.22 0.20 0.55 0.00 -2.10 0.00 0.00 70.33 69.20 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 0.31 0.28 -0.39 -0.78 5.08 -1.80 -0.68 114.58 116.60 1j1h h GLU 30 Ca 0.00 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1j1h h GLU 30 Cb 0.49 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1j1h h GLU 30 CO 0.00 0.19 0.26 0.28 -1.00 0.00 0.00 179.01 178.74 1j1h h VAL 31 N 0.29 1.06 0.07 3.13 2.07 -1.67 2.00 116.25 123.21 1j1h h VAL 31 Ca 0.27 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 1j1h h VAL 31 Cb 0.66 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1j1h h VAL 31 CO -0.06 0.08 -0.04 0.11 0.02 0.00 0.00 177.57 177.69 1j1h h LYS 32 N 0.46 -0.10 -0.14 1.57 1.57 -1.39 0.41 116.57 118.96 1j1h h LYS 32 Ca 0.15 0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.78 1j1h h LYS 32 Cb 0.04 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1j1h h LYS 32 CO -0.03 0.37 -0.58 0.77 -0.57 0.00 0.00 179.45 179.40 1j1h h SER 33 N -0.61 0.50 0.10 0.86 0.02 -1.56 0.71 113.55 113.58 1j1h h SER 33 Ca -0.01 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1j1h h SER 33 Cb 0.51 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1j1h h SER 33 CO 0.02 0.97 -0.05 0.25 -1.14 0.00 0.00 176.83 176.88 1j1h h LEU 34 N 0.34 -0.12 -1.32 5.07 7.12 0.32 3.67 115.31 130.39 1j1h h LEU 34 Ca 0.00 -0.38 -0.03 0.00 0.13 0.00 0.00 57.88 57.60 1j1h h LEU 34 Cb 1.11 0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 41.27 1j1h h LEU 34 CO 0.10 0.34 -0.16 -0.09 -0.13 0.00 0.00 178.44 178.50 1j1h h ARG 35 N -0.61 0.00 -0.62 1.25 2.43 -0.94 -1.06 114.38 114.84 1j1h h ARG 35 Ca -0.01 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.91 1j1h h ARG 35 Cb 0.49 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 29.89 1j1h h ARG 35 CO 0.02 0.16 0.22 0.00 -1.51 0.00 0.00 179.97 178.87 1j1h n ALA 36 N -2.20 4.52 -2.92 2.80 0.00 0.25 -4.34 120.51 118.62 1j1h n ALA 36 Ca -0.00 -2.72 -0.31 0.00 0.00 0.00 0.00 53.44 50.40 1j1h n ALA 36 Cb 0.37 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.69 2.19 -0.12 0.00 0.00 1.21 -4.67 107.32 104.24 1j1h s GLY 37 Ca 0.51 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 44.42 1j1h s GLY 37 CO 0.08 -0.80 -0.22 1.25 0.00 0.00 0.00 173.10 173.41 1j1h s LYS 38 N -2.44 2.95 0.08 2.90 2.47 -1.25 -3.67 119.74 120.79 1j1h s LYS 38 Ca 0.34 -0.84 0.03 0.00 -1.56 0.00 0.00 55.97 53.94 1j1h s LYS 38 Cb -0.13 -2.32 -0.04 0.00 -1.46 0.00 0.00 37.83 33.89 1j1h s LYS 38 CO 0.27 0.07 -0.08 0.54 0.16 0.00 0.00 175.35 176.31 1j1h s VAL 39 N 0.61 0.75 -0.51 4.02 0.11 -1.26 0.32 120.40 124.44 1j1h s VAL 39 Ca -0.13 -1.60 -0.23 0.00 -2.93 0.00 0.00 61.98 57.09 1j1h s VAL 39 Cb -0.17 -1.29 0.04 0.00 -1.53 0.00 0.00 36.38 33.44 1j1h s VAL 39 CO 0.03 -0.63 0.86 -1.81 -3.33 0.00 0.00 175.10 170.22 1j1h s ASP 40 N -2.44 6.35 -0.40 3.54 1.01 -1.12 -4.76 116.67 118.86 1j1h s ASP 40 Ca 0.04 -0.34 -0.15 0.00 0.71 0.00 0.00 52.55 52.80 1j1h s ASP 40 Cb -0.02 -2.40 0.01 0.00 1.01 0.00 0.00 42.92 41.52 1j1h s ASP 40 CO -0.02 -1.09 0.32 -0.36 0.21 0.00 0.00 175.17 174.24 1j1h s PHE 41 N 3.58 3.22 0.00 4.23 0.08 -1.26 -4.52 117.98 123.31 1j1h s PHE 41 Ca 0.28 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.87 1j1h s PHE 41 Cb -0.13 -2.64 0.00 0.00 -0.57 0.00 0.00 43.02 39.68 1j1h s PHE 41 CO 0.19 -0.57 0.00 -2.37 -0.10 0.00 0.00 175.22 172.37 1j1h n THR 42 N 5.21 0.00 -2.45 0.64 5.66 -1.26 -4.04 114.28 118.04 1j1h n THR 42 Ca -0.10 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.81 1j1h n THR 42 Cb 0.48 0.00 -0.00 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 -1.59 -0.49 3.96 1.09 0.00 -1.26 -4.88 105.19 102.02 1j1h n GLY 43 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.02 5.68 0.06 1.61 0.15 -1.26 -4.93 113.70 112.99 1j1h s SER 44 Ca 0.00 0.13 -0.10 0.00 0.70 0.00 0.00 55.95 56.69 1j1h s SER 44 Cb 0.00 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.03 1j1h s SER 44 CO 0.00 -0.81 0.21 -0.36 1.20 0.00 0.00 173.24 173.48 1j1h s PHE 45 N -2.57 0.08 0.01 3.44 0.08 -1.25 -4.49 117.98 113.28 1j1h s PHE 45 Ca 0.51 -0.39 -0.00 0.00 0.12 0.00 0.00 56.93 57.17 1j1h s PHE 45 Cb -0.10 -0.03 -0.01 0.00 -0.57 0.00 0.00 43.02 42.31 1j1h s PHE 45 CO 0.37 -0.49 -0.01 0.00 -0.10 0.00 0.00 175.22 174.98 1j1h s ALA 46 N -3.17 0.07 0.09 5.36 0.00 -1.12 -0.33 121.76 122.66 1j1h s ALA 46 Ca -0.00 -0.43 0.05 0.00 0.00 0.00 0.00 51.96 51.58 1j1h s ALA 46 Cb 0.02 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1j1h s ALA 46 CO -0.07 -0.12 -0.03 -0.98 0.00 0.00 0.00 175.76 174.56 1j1h s ARG 47 N -1.11 2.45 -0.35 0.00 1.70 -1.10 -4.85 118.95 115.69 1j1h s ARG 47 Ca -0.12 -0.88 -0.04 0.00 -0.47 0.00 0.00 55.73 54.22 1j1h s ARG 47 Cb -0.08 -2.49 0.07 0.00 -0.57 0.00 0.00 34.95 31.89 1j1h s ARG 47 CO -0.01 0.54 0.12 -0.59 -1.08 0.00 0.00 175.30 174.27 1j1h s PHE 48 N -1.28 3.36 -0.42 5.89 -0.71 -1.26 -3.53 117.98 120.03 1j1h s PHE 48 Ca 0.24 -1.85 0.05 0.00 -1.04 0.00 0.00 56.93 54.33 1j1h s PHE 48 Cb -0.12 -2.56 0.66 0.00 -1.21 0.00 0.00 43.02 39.79 1j1h s PHE 48 CO 0.17 -0.83 1.86 -1.91 -1.34 0.00 0.00 175.22 173.16 1j1h n GLU 49 N 4.70 2.35 -4.24 1.99 2.13 -0.58 -4.89 120.64 122.10 1j1h n GLU 49 Ca -0.10 -3.04 -0.30 0.00 0.66 0.00 0.00 57.16 54.38 1j1h n GLU 49 Cb 0.43 -2.14 -0.08 0.00 0.27 0.00 0.00 31.44 29.92 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 -1.05 0.45 0.00 4.31 9.92 -1.26 -3.66 116.55 125.25 1j1h n ASP 50 Ca 0.55 -1.21 0.00 0.00 -0.53 0.00 0.00 54.79 53.60 1j1h n ASP 50 Cb 1.58 -1.96 0.00 0.00 -0.64 0.00 0.00 41.12 40.10 1j1h n ASP 50 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j1h n GLY 51 N -2.35 0.37 2.85 0.44 0.00 -1.26 -4.83 105.19 100.40 1j1h n GLY 51 Ca -0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 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 0.99 -0.40 1.61 0.41 -1.24 -4.53 118.70 115.54 1j1h s GLU 52 Ca 0.00 -0.07 -0.00 0.00 -0.41 0.00 0.00 54.97 54.49 1j1h s GLU 52 Cb 0.00 -1.17 0.11 0.00 -1.78 0.00 0.00 34.13 31.29 1j1h s GLU 52 CO 0.00 -0.24 0.16 -1.17 -0.49 0.00 0.00 175.26 173.52 1j1h s LEU 53 N 1.65 5.07 0.20 1.80 2.96 -1.21 -1.53 118.68 127.62 1j1h s LEU 53 Ca 0.01 -2.14 -0.13 0.00 -0.22 0.00 0.00 54.13 51.65 1j1h s LEU 53 Cb -0.13 -1.76 -0.07 0.00 0.50 0.00 0.00 46.19 44.73 1j1h s LEU 53 CO -0.05 -0.47 0.59 -0.31 -1.32 0.00 0.00 176.35 174.79 1j1h s TYR 54 N 0.97 3.52 0.14 5.38 2.02 -1.23 -0.42 117.35 127.73 1j1h s TYR 54 Ca 0.10 1.05 -0.31 0.00 -0.37 0.00 0.00 57.07 57.53 1j1h s TYR 54 Cb -0.21 -2.38 -0.10 0.00 -0.40 0.00 0.00 41.96 38.87 1j1h s TYR 54 CO -0.05 0.33 1.60 -0.51 -1.57 0.00 0.00 175.55 175.34 1j1h s LEU 55 N -2.37 4.37 -0.05 -1.29 1.43 -1.26 -2.71 118.68 116.80 1j1h s LEU 55 Ca 0.43 2.59 0.09 0.00 -1.03 0.00 0.00 54.13 56.22 1j1h s LEU 55 Cb -0.13 -3.59 -0.14 0.00 0.03 0.00 0.00 46.19 42.36 1j1h s LEU 55 CO 0.20 -0.85 0.14 1.21 0.23 0.00 0.00 176.35 177.28 1j1h n GLU 56 N 4.42 1.20 -0.33 1.70 2.13 0.55 -4.56 120.64 125.75 1j1h n GLU 56 Ca 0.14 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1j1h n GLU 56 Cb 0.39 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 30.86 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 -2.05 0.00 -4.51 4.31 5.15 -0.95 -4.81 115.26 112.40 1j1h n ASN 57 Ca -0.07 -1.60 -0.43 0.00 -0.60 0.00 0.00 54.58 51.88 1j1h n ASN 57 Cb 0.48 -0.12 -0.07 0.00 -0.53 0.00 0.00 39.78 39.55 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 0.00 4.58 -0.26 1.20 2.01 -1.26 -4.45 118.68 120.50 1j1h s LEU 58 Ca 0.00 -0.45 -0.07 0.00 0.01 0.00 0.00 54.13 53.62 1j1h s LEU 58 Cb 0.00 -2.66 -0.02 0.00 0.01 0.00 0.00 46.19 43.52 1j1h s LEU 58 CO 0.00 -0.79 0.07 -0.31 1.01 0.00 0.00 176.35 176.33 1j1h s TYR 59 N 2.76 3.09 -0.49 0.29 2.02 -1.26 -4.69 117.35 119.06 1j1h s TYR 59 Ca 0.21 -0.59 -0.22 0.00 -0.37 0.00 0.00 57.07 56.10 1j1h s TYR 59 Cb -0.15 -2.24 0.04 0.00 -0.40 0.00 0.00 41.96 39.21 1j1h s TYR 59 CO 0.18 -0.43 0.78 0.42 -1.57 0.00 0.00 175.55 174.93 1j1h s ILE 60 N 1.58 4.63 -0.45 2.71 1.01 -1.26 -2.79 121.20 126.63 1j1h s ILE 60 Ca 0.06 0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.77 1j1h s ILE 60 Cb -0.16 -4.37 0.11 0.00 0.01 0.00 0.00 42.46 38.05 1j1h s ILE 60 CO 0.03 -0.85 0.31 0.00 0.00 0.00 0.00 174.94 174.42 1j1h s ALA 61 N 3.30 3.33 0.89 9.38 0.00 0.15 -2.64 121.76 136.17 1j1h s ALA 61 Ca 0.26 -2.49 -0.14 0.00 0.00 0.00 0.00 51.96 49.60 1j1h s ALA 61 Cb -0.14 -2.72 0.15 0.00 0.00 0.00 0.00 23.12 20.41 1j1h s ALA 61 CO 0.19 -1.85 1.25 -1.25 0.00 0.00 0.00 175.76 174.09 1j1h s PRO 62 N 1.32 1.23 -0.47 0.00 0.04 -1.25 -3.80 135.00 132.07 1j1h s PRO 62 Ca 0.06 -0.24 0.05 0.00 0.04 0.00 0.00 61.00 60.92 1j1h s PRO 62 Cb -0.25 -1.92 0.26 0.00 0.04 0.00 0.00 34.50 32.63 1j1h s PRO 62 CO -0.01 -2.03 0.96 0.98 0.04 0.00 0.00 177.00 176.95 1j1h n TYR 63 N -3.53 -3.03 -3.16 0.56 9.36 -1.26 -4.94 117.16 111.15 1j1h n TYR 63 Ca 0.12 -1.73 -0.20 0.00 3.32 0.00 0.00 57.90 59.41 1j1h n TYR 63 Cb 0.60 1.54 -0.03 0.00 -0.63 0.00 0.00 39.34 40.82 1j1h n TYR 63 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1j1h n GLU 64 N 1.38 1.24 -2.38 2.98 0.28 -1.26 -4.92 120.64 117.96 1j1h n GLU 64 Ca 0.08 -3.56 -0.08 0.00 -0.16 0.00 0.00 57.16 53.43 1j1h n GLU 64 Cb 0.65 -1.74 -0.01 0.00 1.43 0.00 0.00 31.44 31.77 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 0.31 -2.39 -1.54 3.44 3.00 -1.26 -4.40 118.16 115.31 1j1h n LYS 65 Ca 0.25 0.41 0.00 0.00 -0.00 0.00 0.00 58.31 58.98 1j1h n LYS 65 Cb 0.62 -4.95 0.00 0.00 0.00 0.00 0.00 35.03 30.69 1j1h n LYS 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j1h n GLY 66 N -0.67 -4.09 3.94 3.14 0.00 -1.26 -4.92 105.19 101.32 1j1h n GLY 66 Ca -0.10 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 44.81 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 -5.20 6.36 0.19 1.61 0.15 -1.26 -5.11 113.70 110.44 1j1h s SER 67 Ca 0.00 0.31 0.10 0.00 0.70 0.00 0.00 55.95 57.06 1j1h s SER 67 Cb 0.00 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.30 1j1h s SER 67 CO 0.00 -0.04 -0.16 -0.31 1.20 0.00 0.00 173.24 173.92 1j1h s TYR 68 N -1.89 2.47 -1.28 3.44 1.51 -1.26 -4.72 117.35 115.62 1j1h s TYR 68 Ca 0.37 -0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 56.13 1j1h s TYR 68 Cb -0.11 -1.21 -0.00 0.00 -0.11 0.00 0.00 41.96 40.53 1j1h s TYR 68 CO 0.29 0.52 0.72 0.00 -1.11 0.00 0.00 175.55 175.97 1j1h n ALA 69 N 0.10 -2.07 0.00 3.71 0.00 -1.26 -4.91 120.51 116.08 1j1h n ALA 69 Ca -0.11 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1j1h n ALA 69 Cb 0.56 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1j1h n ALA 69 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1j1h n ASN 70 N -3.04 0.00 -4.75 0.00 4.13 -1.26 -4.97 115.26 105.37 1j1h n ASN 70 Ca -0.28 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.63 1j1h n ASN 70 Cb 0.67 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.83 1j1h n ASN 70 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1j1h s VAL 71 N -2.00 4.88 0.14 2.41 -7.23 -1.26 -4.94 120.40 112.39 1j1h s VAL 71 Ca 0.00 -0.02 0.08 0.00 -1.81 0.00 0.00 61.98 60.23 1j1h s VAL 71 Cb 0.00 -3.12 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 1j1h s VAL 71 CO 0.00 0.58 -0.09 1.51 -0.31 0.00 0.00 175.10 176.78 1j1h s ASP 72 N -0.64 4.36 0.35 4.85 1.47 -1.26 -4.76 116.67 121.04 1j1h s ASP 72 Ca 0.11 -0.46 -0.28 0.00 1.18 0.00 0.00 52.55 53.10 1j1h s ASP 72 Cb -0.12 -0.80 -0.11 0.00 -0.34 0.00 0.00 42.92 41.55 1j1h s ASP 72 CO 0.02 0.14 1.44 -2.16 0.68 0.00 0.00 175.17 175.30 1j1h s PRO 73 N -2.50 4.19 -0.40 2.11 0.04 -1.26 -4.94 135.00 132.25 1j1h s PRO 73 Ca 0.23 2.45 0.03 0.00 0.04 0.00 0.00 61.00 63.76 1j1h s PRO 73 Cb -0.10 -3.01 0.29 0.00 0.04 0.00 0.00 34.50 31.72 1j1h s PRO 73 CO 0.15 -0.43 1.17 -2.13 0.04 0.00 0.00 177.00 175.79 1j1h n ARG 74 N 0.79 0.49 -1.44 4.56 0.63 -1.08 -4.10 116.66 116.50 1j1h n ARG 74 Ca 0.01 -1.22 0.00 0.00 -0.92 0.00 0.00 57.85 55.72 1j1h n ARG 74 Cb 0.40 -0.69 0.00 0.00 0.45 0.00 0.00 32.46 32.61 1j1h n ARG 74 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1j1h n ARG 75 N 1.05 0.00 -1.28 -0.14 3.00 -1.21 -4.95 116.66 113.13 1j1h n ARG 75 Ca 0.03 0.16 -0.31 0.00 -0.00 0.00 0.00 57.85 57.72 1j1h n ARG 75 Cb 0.70 -3.22 0.09 0.00 0.00 0.00 0.00 32.46 30.02 1j1h n ARG 75 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1j1h s LYS 76 N -2.96 2.28 -0.30 -0.14 -0.14 -1.26 -4.88 119.74 112.34 1j1h s LYS 76 Ca 0.00 1.18 -0.16 0.00 -1.36 0.00 0.00 55.97 55.63 1j1h s LYS 76 Cb 0.00 -1.90 0.16 0.00 -1.68 0.00 0.00 37.83 34.41 1j1h s LYS 76 CO 0.00 -1.63 1.01 -0.98 -0.76 0.00 0.00 175.35 172.99 1j1h s ARG 77 N -4.86 0.30 0.00 1.68 3.03 -1.26 -4.57 118.95 113.27 1j1h s ARG 77 Ca 0.61 0.64 0.00 0.00 2.03 0.00 0.00 55.73 59.01 1j1h s ARG 77 Cb -0.17 0.26 0.00 0.00 -1.03 0.00 0.00 34.95 34.01 1j1h s ARG 77 CO 0.55 -0.08 0.00 1.17 -1.13 0.00 0.00 175.30 175.81 1j1h n LYS 78 N 4.36 0.00 -1.32 3.89 4.81 -1.26 -4.41 118.16 124.22 1j1h n LYS 78 Ca -0.13 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 56.96 1j1h n LYS 78 Cb 0.55 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.69 1j1h n LYS 78 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1j1h n LEU 79 N 0.00 3.62 -4.37 3.14 4.77 0.44 -4.79 117.00 119.81 1j1h n LEU 79 Ca 0.00 0.65 -0.35 0.00 -0.03 0.00 0.00 56.01 56.28 1j1h n LEU 79 Cb 0.00 -1.42 -0.13 0.00 -2.33 0.00 0.00 43.42 39.54 1j1h n LEU 79 CO 0.00 -2.00 -0.34 -0.76 -1.33 0.00 0.00 177.39 172.96 1j1h s LEU 80 N -3.44 3.12 -0.12 2.23 1.43 -1.25 -3.30 118.68 117.35 1j1h s LEU 80 Ca 0.73 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 1j1h s LEU 80 Cb -0.34 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1j1h s LEU 80 CO 0.50 -0.01 -0.23 -0.76 0.23 0.00 0.00 176.35 176.08 1j1h s LEU 81 N 1.46 2.10 0.23 1.79 1.43 -1.26 -1.17 118.68 123.26 1j1h s LEU 81 Ca 0.05 -0.58 -0.32 0.00 -1.03 0.00 0.00 54.13 52.26 1j1h s LEU 81 Cb -0.15 -1.42 -0.13 0.00 0.03 0.00 0.00 46.19 44.52 1j1h s LEU 81 CO -0.00 0.13 1.48 1.41 0.23 0.00 0.00 176.35 179.59 1j1h n HIS 82 N 3.74 2.29 0.00 0.29 8.25 -1.26 -4.59 115.22 123.95 1j1h n HIS 82 Ca -0.19 0.37 0.07 0.00 -0.26 0.00 0.00 57.72 57.71 1j1h n HIS 82 Cb 0.52 -2.50 0.48 0.00 1.12 0.00 0.00 29.99 29.62 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 4.70 0.41 -0.60 -0.41 3.64 -1.88 0.90 116.57 123.34 1j1h h LYS 83 Ca -0.45 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 58.99 1j1h h LYS 83 Cb 1.26 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 1j1h h LYS 83 CO 0.79 0.27 0.40 1.25 -2.27 0.00 0.00 179.45 179.90 1j1h h HIS 84 N 0.43 0.46 -0.07 1.91 2.76 -1.94 -0.38 115.15 118.32 1j1h h HIS 84 Ca 0.18 0.01 -0.18 0.00 -2.20 0.00 0.00 60.37 58.18 1j1h h HIS 84 Cb 0.17 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 1j1h h HIS 84 CO -0.00 0.22 -0.74 0.93 -1.30 0.00 0.00 177.93 177.05 1j1h h GLU 85 N 0.43 0.38 -0.02 5.26 5.08 -1.16 -3.33 114.58 121.22 1j1h h GLU 85 Ca 0.27 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1j1h h GLU 85 Cb 0.50 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1j1h h GLU 85 CO -0.08 0.96 -0.02 1.25 -1.00 0.00 0.00 179.01 180.13 1j1h h LEU 86 N 0.26 0.06 -1.29 1.33 5.85 -0.66 -3.32 115.31 117.54 1j1h h LEU 86 Ca -0.03 -0.45 -0.06 0.00 0.84 0.00 0.00 57.88 58.18 1j1h h LEU 86 Cb 1.31 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1j1h h LEU 86 CO 0.12 0.49 -0.21 -0.09 -0.34 0.00 0.00 178.44 178.42 1j1h h ARG 87 N -0.38 0.22 -0.03 1.25 2.43 -1.66 -3.15 114.38 113.07 1j1h h ARG 87 Ca 0.00 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1j1h h ARG 87 Cb 0.47 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1j1h h ARG 87 CO 0.00 0.43 -0.09 -0.09 -1.51 0.00 0.00 179.97 178.71 1j1h h ARG 88 N 0.21 0.11 -0.00 0.20 2.43 -1.67 -2.99 114.38 112.66 1j1h h ARG 88 Ca 0.04 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 1j1h h ARG 88 Cb 0.49 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1j1h h ARG 88 CO 0.03 0.72 -0.48 1.25 -1.51 0.00 0.00 179.97 179.98 1j1h h LEU 89 N -0.48 0.43 -1.65 3.80 7.12 -1.68 -3.26 115.31 119.59 1j1h h LEU 89 Ca -0.00 -0.77 0.03 0.00 0.13 0.00 0.00 57.88 57.27 1j1h h LEU 89 Cb 0.73 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.70 1j1h h LEU 89 CO 0.02 1.14 0.28 0.25 -0.13 0.00 0.00 178.44 180.00 1j1h h LEU 90 N -0.24 0.40 -2.59 2.25 7.12 -1.71 -1.85 115.31 118.68 1j1h h LEU 90 Ca -0.06 -0.01 0.01 0.00 0.13 0.00 0.00 57.88 57.95 1j1h h LEU 90 Cb 1.21 -0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 41.25 1j1h h LEU 90 CO 0.10 0.28 0.06 1.23 -0.13 0.00 0.00 178.44 179.97 1j1h h GLY 91 N 0.46 0.00 1.02 3.75 0.00 -1.56 -2.52 103.07 104.23 1j1h h GLY 91 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.17 1j1h h GLY 91 CO -0.04 0.00 -1.68 1.70 0.00 0.00 0.00 176.54 176.52 1j1h h LYS 92 N 0.00 0.32 -0.30 4.80 1.63 -1.48 -3.34 116.57 118.20 1j1h h LYS 92 Ca 0.01 -0.55 -0.02 0.00 -0.85 0.00 0.00 60.65 59.25 1j1h h LYS 92 Cb 0.14 0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 1j1h h LYS 92 CO -0.00 1.21 0.10 -0.39 -3.45 0.00 0.00 179.45 176.92 1j1h h VAL 93 N 0.09 1.13 0.00 2.00 -1.51 -1.52 -2.16 116.25 114.28 1j1h h VAL 93 Ca -0.31 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 64.72 1j1h h VAL 93 Cb 2.06 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 32.03 1j1h h VAL 93 CO 0.16 0.16 0.16 1.21 -1.23 0.00 0.00 177.57 178.03 1j1h n GLU 94 N -4.39 0.12 0.00 5.19 2.13 -1.15 -3.79 120.64 118.75 1j1h n GLU 94 Ca 0.01 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.44 1j1h n GLU 94 Cb 0.15 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 29.82 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 -2.17 0.00 -3.15 5.31 6.02 -0.81 -4.92 117.38 117.65 1j1h n GLN 95 Ca -0.01 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.03 1j1h n GLN 95 Cb 0.18 -0.36 -0.02 0.00 1.02 0.00 0.00 30.24 31.06 1j1h n GLN 95 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1j1h s LYS 96 N 0.00 0.05 0.00 -1.09 -0.14 -1.25 -4.94 119.74 112.37 1j1h s LYS 96 Ca 0.00 0.09 0.00 0.00 -1.36 0.00 0.00 55.97 54.70 1j1h s LYS 96 Cb 0.00 0.05 0.00 0.00 -1.68 0.00 0.00 37.83 36.20 1j1h s LYS 96 CO 0.00 -0.05 0.00 0.41 -0.76 0.00 0.00 175.35 174.95 1j1h n GLY 97 N 5.42 0.84 3.71 -3.33 0.00 -1.26 -4.89 105.19 105.68 1j1h n GLY 97 Ca -0.09 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 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 3.48 0.16 0.99 1.02 -1.26 0.74 118.68 123.81 1j1h s LEU 98 Ca 0.00 -0.29 0.08 0.00 0.02 0.00 0.00 54.13 53.94 1j1h s LEU 98 Cb 0.00 -2.13 -0.04 0.00 0.02 0.00 0.00 46.19 44.04 1j1h s LEU 98 CO 0.00 0.09 -0.18 0.42 0.02 0.00 0.00 176.35 176.70 1j1h s THR 99 N -1.69 1.77 -0.18 5.49 -4.23 -1.08 -4.84 115.64 110.88 1j1h s THR 99 Ca 0.28 -1.89 -0.02 0.00 -1.18 0.00 0.00 61.69 58.89 1j1h s THR 99 Cb -0.10 -1.81 -0.01 0.00 1.34 0.00 0.00 72.50 71.93 1j1h s THR 99 CO 0.20 -0.32 -0.10 -1.48 -0.54 0.00 0.00 174.62 172.38 1j1h s LEU 100 N -2.63 2.69 -0.10 4.79 0.05 -1.26 -2.83 118.68 119.38 1j1h s LEU 100 Ca 0.15 -0.41 -0.05 0.00 0.05 0.00 0.00 54.13 53.86 1j1h s LEU 100 Cb -0.06 -1.65 0.05 0.00 -2.05 0.00 0.00 46.19 42.49 1j1h s LEU 100 CO 0.06 0.05 0.24 0.54 -0.55 0.00 0.00 176.35 176.69 1j1h s VAL 101 N 1.03 -0.08 -0.89 1.48 0.11 -1.26 -2.80 120.40 117.99 1j1h s VAL 101 Ca -0.01 0.17 -0.07 0.00 -2.93 0.00 0.00 61.98 59.14 1j1h s VAL 101 Cb -0.15 -0.38 -0.09 0.00 -1.53 0.00 0.00 36.38 34.24 1j1h s VAL 101 CO -0.02 0.07 3.05 -0.81 -3.33 0.00 0.00 175.10 174.06 1j1h n PRO 102 N 4.36 3.14 -0.22 1.54 -0.04 -1.26 -1.46 135.00 141.06 1j1h n PRO 102 Ca -0.23 -2.06 0.31 0.00 -0.04 0.00 0.00 63.50 61.48 1j1h n PRO 102 Cb 0.52 -2.42 0.73 0.00 -0.04 0.00 0.00 33.50 32.29 1j1h n PRO 102 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1j1h h LEU 103 N 5.69 0.00 -8.45 1.53 5.85 -1.86 -3.42 115.31 114.65 1j1h h LEU 103 Ca 0.56 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 58.63 1j1h h LEU 103 Cb 0.74 0.00 -0.31 0.00 0.37 0.00 0.00 40.66 41.46 1j1h h LEU 103 CO 1.11 0.00 -0.87 -0.75 -0.34 0.00 0.00 178.44 177.59 1j1h s LYS 104 N -4.91 2.18 -0.06 1.25 2.20 -1.16 -2.08 119.74 117.17 1j1h s LYS 104 Ca -0.05 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 54.75 1j1h s LYS 104 Cb 0.21 -1.94 0.02 0.00 -1.51 0.00 0.00 37.83 34.61 1j1h s LYS 104 CO 0.76 0.40 -0.10 0.42 -0.36 0.00 0.00 175.35 176.47 1j1h s ILE 105 N -0.26 0.97 0.01 5.43 1.01 -1.26 -1.56 121.20 125.54 1j1h s ILE 105 Ca 0.01 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.37 1j1h s ILE 105 Cb -0.12 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 1j1h s ILE 105 CO 0.02 0.32 -0.26 -0.31 0.00 0.00 0.00 174.94 174.71 1j1h s TYR 106 N 0.77 2.34 0.06 3.97 1.51 -0.05 -3.97 117.35 121.98 1j1h s TYR 106 Ca -0.13 -0.42 0.05 0.00 -1.01 0.00 0.00 57.07 55.57 1j1h s TYR 106 Cb -0.15 -1.45 -0.03 0.00 -0.11 0.00 0.00 41.96 40.22 1j1h s TYR 106 CO 0.02 0.05 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.31 1j1h s PHE 107 N -0.71 1.25 -0.03 2.71 0.40 -1.26 -0.70 117.98 119.64 1j1h s PHE 107 Ca 0.11 -0.42 -0.04 0.00 -0.60 0.00 0.00 56.93 55.98 1j1h s PHE 107 Cb -0.10 -0.72 0.01 0.00 0.51 0.00 0.00 43.02 42.72 1j1h s PHE 107 CO 0.01 0.06 0.10 -0.80 0.70 0.00 0.00 175.22 175.29 1j1h s ASN 108 N -1.53 -0.07 0.00 1.36 -0.87 -1.00 -4.92 114.94 107.92 1j1h s ASN 108 Ca -0.00 0.10 0.03 0.00 -1.57 0.00 0.00 52.86 51.42 1j1h s ASN 108 Cb -0.09 0.21 0.16 0.00 -0.02 0.00 0.00 41.25 41.51 1j1h s ASN 108 CO 0.02 -0.10 0.80 1.21 -2.57 0.00 0.00 177.10 176.46 1j1h n GLU 109 N 2.70 0.07 -0.12 -0.60 2.13 -1.26 -2.06 120.64 121.49 1j1h n GLU 109 Ca -0.15 0.14 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1j1h n GLU 109 Cb 0.58 -1.50 0.06 0.00 0.27 0.00 0.00 31.44 30.86 1j1h n GLU 109 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1j1h n ARG 110 N -1.16 1.54 -2.03 5.31 1.74 -1.26 -4.79 116.66 116.02 1j1h n ARG 110 Ca 0.02 -0.50 -0.15 0.00 -0.77 0.00 0.00 57.85 56.45 1j1h n ARG 110 Cb 0.02 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 29.95 1j1h n ARG 110 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j1h n GLY 111 N 0.27 0.28 2.89 -0.13 0.00 -0.87 -4.96 105.19 102.67 1j1h n GLY 111 Ca 0.04 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.68 2.26 -0.07 1.61 5.04 -1.20 -4.10 117.35 118.21 1j1h s TYR 112 Ca 0.00 -1.76 0.04 0.00 -2.44 0.00 0.00 57.07 52.91 1j1h s TYR 112 Cb 0.00 -1.65 -0.02 0.00 0.35 0.00 0.00 41.96 40.64 1j1h s TYR 112 CO 0.00 -0.78 -0.19 0.00 -1.34 0.00 0.00 175.55 173.23 1j1h s ALA 113 N 1.44 2.41 -0.19 3.97 0.00 -0.22 -2.37 121.76 126.80 1j1h s ALA 113 Ca -0.02 -0.99 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 1j1h s ALA 113 Cb -0.18 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 1j1h s ALA 113 CO -0.09 0.42 0.13 0.15 0.00 0.00 0.00 175.76 176.37 1j1h s LYS 114 N -0.21 4.12 -0.12 0.00 3.01 0.12 -1.32 119.74 125.34 1j1h s LYS 114 Ca -0.01 -0.22 0.01 0.00 -1.01 0.00 0.00 55.97 54.74 1j1h s LYS 114 Cb -0.13 -3.40 -0.01 0.00 -1.01 0.00 0.00 37.83 33.28 1j1h s LYS 114 CO 0.03 0.34 -0.15 0.08 0.51 0.00 0.00 175.35 176.16 1j1h s VAL 115 N 0.24 2.88 -0.25 3.17 1.01 -0.88 -0.87 120.40 125.70 1j1h s VAL 115 Ca 0.08 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 1j1h s VAL 115 Cb -0.11 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1j1h s VAL 115 CO -0.01 0.53 0.06 -0.76 0.00 0.00 0.00 175.10 174.92 1j1h s LEU 116 N 0.32 3.41 -0.20 3.92 1.43 -0.60 -2.25 118.68 124.71 1j1h s LEU 116 Ca -0.12 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 1j1h s LEU 116 Cb -0.16 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 1j1h s LEU 116 CO 0.06 -0.03 0.16 -0.22 0.23 0.00 0.00 176.35 176.55 1j1h s LEU 117 N 1.59 4.19 -0.25 1.79 1.98 -0.44 -2.51 118.68 125.04 1j1h s LEU 117 Ca 0.06 0.24 0.02 0.00 -2.89 0.00 0.00 54.13 51.56 1j1h s LEU 117 Cb -0.15 -2.13 0.06 0.00 0.66 0.00 0.00 46.19 44.62 1j1h s LEU 117 CO 0.03 0.14 -0.09 -0.83 -1.89 0.00 0.00 176.35 173.71 1j1h s GLY 118 N 0.54 1.50 0.04 7.98 0.00 -0.54 -3.09 107.32 113.75 1j1h s GLY 118 Ca 0.09 -1.58 -0.29 0.00 0.00 0.00 0.00 44.72 42.94 1j1h s GLY 118 CO 0.00 0.74 0.95 -2.27 0.00 0.00 0.00 173.10 172.51 1j1h s LEU 119 N 1.23 4.42 -0.07 0.66 1.98 0.51 -4.00 118.68 123.40 1j1h s LEU 119 Ca -0.07 1.67 0.04 0.00 -2.89 0.00 0.00 54.13 52.88 1j1h s LEU 119 Cb -0.19 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.12 1j1h s LEU 119 CO -0.06 -0.16 -0.19 0.00 -1.89 0.00 0.00 176.35 174.05 1j1h s ALA 120 N 0.56 1.77 -0.41 5.97 0.00 -1.13 -1.17 121.76 127.35 1j1h s ALA 120 Ca 0.49 -0.76 -0.18 0.00 0.00 0.00 0.00 51.96 51.51 1j1h s ALA 120 Cb -0.22 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.27 1j1h s ALA 120 CO 0.28 0.26 0.46 -0.98 0.00 0.00 0.00 175.76 175.78 1j1h s ARG 121 N 0.29 3.23 0.00 0.00 1.70 -1.26 -2.63 118.95 120.28 1j1h s ARG 121 Ca -0.12 -0.61 0.00 0.00 -0.47 0.00 0.00 55.73 54.53 1j1h s ARG 121 Cb -0.15 -3.93 0.00 0.00 -0.57 0.00 0.00 34.95 30.30 1j1h s ARG 121 CO 0.05 -0.81 0.00 0.41 -1.08 0.00 0.00 175.30 173.87 1j1h n GLY 122 N 5.05 0.04 3.47 3.88 0.00 -1.06 -5.00 105.19 111.57 1j1h n GLY 122 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1j1h n GLY 122 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60