#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vha n LEU 1 N 0.00 0.76 -3.79 -3.43 4.77 -1.26 -4.60 117.00 109.44 1vha n LEU 1 Ca 0.00 0.04 -0.15 0.00 -0.03 0.00 0.00 56.01 55.87 1vha n LEU 1 Cb 0.00 0.14 -0.16 0.00 -2.33 0.00 0.00 43.42 41.07 1vha n LEU 1 CO 0.00 0.58 -0.35 -0.51 -1.33 0.00 0.00 177.39 175.78 1vha s ILE 2 N -2.51 -0.03 -0.02 -0.08 2.07 -1.26 -1.98 121.20 117.38 1vha s ILE 2 Ca -0.14 0.17 0.04 0.00 -1.41 0.00 0.00 60.65 59.31 1vha s ILE 2 Cb 0.07 -0.08 -0.01 0.00 0.13 0.00 0.00 42.46 42.57 1vha s ILE 2 CO 0.78 0.07 -0.16 -0.13 -1.91 0.00 0.00 174.94 173.60 1vha s ARG 3 N 0.86 1.40 -0.09 3.50 1.81 0.63 -4.96 118.95 122.10 1vha s ARG 3 Ca -0.07 -0.55 -0.02 0.00 -1.72 0.00 0.00 55.73 53.36 1vha s ARG 3 Cb -0.10 -1.30 -0.03 0.00 -0.45 0.00 0.00 34.95 33.06 1vha s ARG 3 CO -0.02 0.29 0.01 -1.50 -0.68 0.00 0.00 175.30 173.40 1vha s ILE 4 N -0.19 4.41 0.03 1.52 2.07 -1.26 0.67 121.20 128.45 1vha s ILE 4 Ca 0.02 -0.22 0.00 0.00 -1.41 0.00 0.00 60.65 59.05 1vha s ILE 4 Cb -0.08 -2.86 -0.02 0.00 0.13 0.00 0.00 42.46 39.62 1vha s ILE 4 CO 0.00 0.60 -0.04 -0.83 -1.91 0.00 0.00 174.94 172.76 1vha s GLY 5 N -0.92 0.34 -0.01 1.50 0.00 0.27 -4.16 107.32 104.34 1vha s GLY 5 Ca 0.14 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 44.13 1vha s GLY 5 CO 0.03 -0.82 -0.07 -1.58 0.00 0.00 0.00 173.10 170.66 1vha s HIS 6 N -1.92 0.61 0.00 1.90 5.04 -1.26 -0.63 115.29 119.04 1vha s HIS 6 Ca -0.10 -0.12 0.02 0.00 -1.54 0.00 0.00 55.06 53.32 1vha s HIS 6 Cb -0.07 -0.39 -0.01 0.00 0.04 0.00 0.00 32.58 32.15 1vha s HIS 6 CO -0.02 -0.01 -0.06 0.20 -2.34 0.00 0.00 174.74 172.50 1vha s GLY 7 N -0.15 0.33 -0.02 1.59 0.00 0.10 -3.91 107.32 105.26 1vha s GLY 7 Ca 0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 44.72 44.40 1vha s GLY 7 CO -0.00 -0.31 0.03 -0.12 0.00 0.00 0.00 173.10 172.70 1vha s PHE 8 N -0.34 0.03 0.15 1.90 5.36 -1.26 -0.47 117.98 123.35 1vha s PHE 8 Ca 0.00 0.13 -0.05 0.00 -0.96 0.00 0.00 56.93 56.06 1vha s PHE 8 Cb -0.04 -0.23 -0.02 0.00 -0.34 0.00 0.00 43.02 42.39 1vha s PHE 8 CO -0.00 -0.09 0.18 -0.51 -1.46 0.00 0.00 175.22 173.34 1vha s ASP 9 N 1.06 0.17 -0.07 6.13 1.01 -0.92 -4.86 116.67 119.18 1vha s ASP 9 Ca -0.09 -1.06 -0.10 0.00 0.71 0.00 0.00 52.55 52.01 1vha s ASP 9 Cb -0.13 0.37 0.02 0.00 1.01 0.00 0.00 42.92 44.20 1vha s ASP 9 CO -0.03 -0.82 0.26 -0.69 0.21 0.00 0.00 175.17 174.10 1vha s VAL 10 N -4.02 0.02 -0.19 -1.27 1.01 -1.26 -2.17 120.40 112.52 1vha s VAL 10 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1vha s VAL 10 Cb 0.05 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 36.04 1vha s VAL 10 CO 0.02 -0.10 -0.07 -2.28 0.00 0.00 0.00 175.10 172.67 1vha s HIS 11 N -0.35 2.10 0.16 5.22 2.46 -0.48 -4.99 115.29 119.41 1vha s HIS 11 Ca -0.05 -1.41 -0.24 0.00 0.47 0.00 0.00 55.06 53.84 1vha s HIS 11 Cb -0.03 -1.49 -0.08 0.00 -0.13 0.00 0.00 32.58 30.85 1vha s HIS 11 CO 0.01 -0.70 0.74 0.00 -2.47 0.00 0.00 174.74 172.33 1vha s ALA 12 N 1.50 3.46 0.43 1.58 0.00 -1.26 -2.04 121.76 125.44 1vha s ALA 12 Ca -0.01 0.30 -0.24 0.00 0.00 0.00 0.00 51.96 52.01 1vha s ALA 12 Cb -0.16 -2.90 -0.08 0.00 0.00 0.00 0.00 23.12 19.98 1vha s ALA 12 CO -0.08 0.31 1.13 -0.06 0.00 0.00 0.00 175.76 177.07 1vha s PHE 13 N -1.19 3.02 0.02 0.00 0.08 -0.81 -4.74 117.98 114.37 1vha s PHE 13 Ca 0.36 1.57 -0.13 0.00 0.12 0.00 0.00 56.93 58.84 1vha s PHE 13 Cb -0.22 -3.31 0.02 0.00 -0.57 0.00 0.00 43.02 38.95 1vha s PHE 13 CO 0.25 -1.22 0.29 0.20 -0.10 0.00 0.00 175.22 174.64 1vha s GLY 14 N -1.39 -0.11 0.18 4.36 0.00 -1.26 -4.03 107.32 105.07 1vha s GLY 14 Ca 0.61 0.08 0.02 0.00 0.00 0.00 0.00 44.72 45.43 1vha s GLY 14 CO 0.33 -0.13 -0.01 -1.83 0.00 0.00 0.00 173.10 171.46 1vha s GLU 15 N -2.12 1.15 0.09 2.90 1.03 0.45 -4.97 118.70 117.22 1vha s GLU 15 Ca -0.08 -1.55 0.09 0.00 0.03 0.00 0.00 54.97 53.46 1vha s GLU 15 Cb -0.02 -0.38 -0.03 0.00 -0.80 0.00 0.00 34.13 32.89 1vha s GLU 15 CO -0.01 -0.10 -0.24 -0.51 -1.33 0.00 0.00 175.26 173.08 1vha s ASP 16 N -3.20 2.88 -0.13 0.83 1.01 -1.26 -0.19 116.67 116.61 1vha s ASP 16 Ca 0.24 -0.65 -0.11 0.00 0.71 0.00 0.00 52.55 52.73 1vha s ASP 16 Cb 0.06 -0.21 0.04 0.00 1.01 0.00 0.00 42.92 43.82 1vha s ASP 16 CO 0.04 0.16 0.35 -0.60 0.21 0.00 0.00 175.17 175.33 1vha s ARG 17 N -1.68 0.39 0.10 8.23 3.52 -0.23 -4.99 118.95 124.29 1vha s ARG 17 Ca 0.10 0.52 -0.21 0.00 -0.13 0.00 0.00 55.73 56.01 1vha s ARG 17 Cb -0.10 0.15 -0.07 0.00 -1.56 0.00 0.00 34.95 33.37 1vha s ARG 17 CO 0.04 -0.07 0.63 -1.25 -0.81 0.00 0.00 175.30 173.84 1vha s PRO 18 N 0.40 4.31 0.21 5.12 0.04 -1.26 0.39 135.00 144.22 1vha s PRO 18 Ca -0.02 0.86 0.07 0.00 0.04 0.00 0.00 61.00 61.95 1vha s PRO 18 Cb -0.04 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.20 1vha s PRO 18 CO -0.02 0.61 -0.11 -0.51 0.04 0.00 0.00 177.00 177.01 1vha s LEU 19 N -1.07 2.51 -0.34 -3.56 1.43 0.28 -4.91 118.68 113.02 1vha s LEU 19 Ca 0.31 -1.06 -0.04 0.00 -1.03 0.00 0.00 54.13 52.31 1vha s LEU 19 Cb -0.20 -0.58 0.06 0.00 0.03 0.00 0.00 46.19 45.50 1vha s LEU 19 CO 0.21 -0.26 0.09 -0.63 0.23 0.00 0.00 176.35 175.99 1vha s ILE 20 N -3.08 3.35 -0.06 -0.59 1.01 -1.26 -0.63 121.20 119.93 1vha s ILE 20 Ca 0.23 -1.44 0.04 0.00 0.00 0.00 0.00 60.65 59.48 1vha s ILE 20 Cb 0.01 -3.00 -0.00 0.00 0.01 0.00 0.00 42.46 39.48 1vha s ILE 20 CO 0.07 -0.26 -0.21 -0.63 0.00 0.00 0.00 174.94 173.91 1vha s ILE 21 N 1.28 1.74 -1.54 2.92 -1.09 0.82 -4.69 121.20 120.65 1vha s ILE 21 Ca -0.01 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.54 1vha s ILE 21 Cb -0.20 -1.49 0.00 0.00 -1.58 0.00 0.00 42.46 39.18 1vha s ILE 21 CO -0.00 0.49 0.00 0.61 -1.23 0.00 0.00 174.94 174.81 1vha n GLY 22 N 3.27 0.18 2.06 6.18 0.00 -1.26 -0.32 105.19 115.30 1vha n GLY 22 Ca -0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.83 1vha n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vha n GLY 23 N -0.72 0.47 3.29 -0.02 0.00 -1.26 -5.02 105.19 101.93 1vha n GLY 23 Ca -0.19 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 1vha n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vha s VAL 24 N -1.95 1.93 0.02 1.61 1.01 0.57 -5.11 120.40 118.48 1vha s VAL 24 Ca 0.00 -1.18 -0.25 0.00 0.00 0.00 0.00 61.98 60.54 1vha s VAL 24 Cb 0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1vha s VAL 24 CO 0.00 0.41 0.77 -0.70 0.00 0.00 0.00 175.10 175.58 1vha s GLU 25 N -0.92 4.49 0.02 2.72 2.12 -1.26 -0.13 118.70 125.75 1vha s GLU 25 Ca 0.10 1.06 -0.00 0.00 0.36 0.00 0.00 54.97 56.49 1vha s GLU 25 Cb -0.09 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 1vha s GLU 25 CO 0.01 0.20 -0.03 0.14 -0.54 0.00 0.00 175.26 175.04 1vha s VAL 26 N 0.22 0.11 0.09 3.70 -7.23 0.19 -4.95 120.40 112.52 1vha s VAL 26 Ca 0.40 -0.87 -0.26 0.00 -1.81 0.00 0.00 61.98 59.44 1vha s VAL 26 Cb -0.20 -0.25 -0.06 0.00 0.56 0.00 0.00 36.38 36.43 1vha s VAL 26 CO 0.22 -0.48 0.79 -2.16 -0.31 0.00 0.00 175.10 173.17 1vha s PRO 27 N -1.40 4.54 -0.12 4.82 0.04 -1.26 -0.56 135.00 141.05 1vha s PRO 27 Ca -0.15 1.14 0.02 0.00 0.04 0.00 0.00 61.00 62.05 1vha s PRO 27 Cb -0.10 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.12 1vha s PRO 27 CO -0.01 0.35 -0.20 -0.47 0.04 0.00 0.00 177.00 176.71 1vha s TYR 28 N -0.35 2.42 -0.15 0.56 6.14 0.16 -4.92 117.35 121.22 1vha s TYR 28 Ca 0.39 -1.16 -0.07 0.00 0.64 0.00 0.00 57.07 56.87 1vha s TYR 28 Cb -0.22 -1.67 -0.04 0.00 0.42 0.00 0.00 41.96 40.46 1vha s TYR 28 CO 0.25 -0.54 0.10 -1.58 0.64 0.00 0.00 175.55 174.42 1vha s HIS 29 N 0.79 3.42 -0.07 4.97 5.65 -1.26 -1.07 115.29 127.71 1vha s HIS 29 Ca -0.09 0.34 0.02 0.00 0.25 0.00 0.00 55.06 55.58 1vha s HIS 29 Cb -0.16 -2.00 -0.02 0.00 -1.18 0.00 0.00 32.58 29.22 1vha s HIS 29 CO -0.00 0.47 -0.13 0.99 -0.65 0.00 0.00 174.74 175.42 1vha s THR 30 N -0.40 3.14 0.00 0.89 2.01 0.73 -4.98 115.64 117.04 1vha s THR 30 Ca 0.11 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.43 1vha s THR 30 Cb -0.12 -2.26 0.00 0.00 0.01 0.00 0.00 72.50 70.13 1vha s THR 30 CO 0.02 0.57 0.00 0.61 -0.69 0.00 0.00 174.62 175.13 1vha n GLY 31 N 2.62 -2.74 3.75 4.40 0.00 -1.26 -0.41 105.19 111.54 1vha n GLY 31 Ca -0.17 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1vha n GLY 31 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1vha n PHE 32 N -0.12 2.86 -1.68 1.61 -0.00 -1.26 -4.88 117.46 114.00 1vha n PHE 32 Ca 0.00 0.29 -0.44 0.00 -0.00 0.00 0.00 57.45 57.30 1vha n PHE 32 Cb 0.00 -2.58 -0.04 0.00 -0.00 0.00 0.00 39.48 36.86 1vha n PHE 32 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 1vha n ILE 33 N 1.83 0.39 -1.93 -2.13 2.08 -1.26 -4.71 119.36 113.64 1vha n ILE 33 Ca 0.07 -0.07 -0.40 0.00 0.56 0.00 0.00 62.75 62.91 1vha n ILE 33 Cb 0.37 -2.01 -0.00 0.00 -0.75 0.00 0.00 39.64 37.25 1vha n ILE 33 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1vha s ALA 34 N 2.89 3.38 0.00 -1.39 0.00 -1.26 -4.88 121.76 120.50 1vha s ALA 34 Ca 0.84 1.40 0.00 0.00 0.00 0.00 0.00 51.96 54.20 1vha s ALA 34 Cb -0.55 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.03 1vha s ALA 34 CO 0.41 -0.96 0.26 -2.39 0.00 0.00 0.00 175.76 173.08 1vha n HIS 35 N 0.25 0.00 -3.48 0.00 1.44 -1.26 -5.12 115.22 107.05 1vha n HIS 35 Ca 0.03 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.72 1vha n HIS 35 Cb 0.42 0.07 0.01 0.00 0.12 0.00 0.00 29.99 30.61 1vha n HIS 35 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1vha n SER 36 N 0.00 -0.55 -0.35 4.39 3.41 -1.26 -4.91 113.62 114.34 1vha n SER 36 Ca 0.00 -1.32 0.12 0.00 -0.26 0.00 0.00 58.87 57.41 1vha n SER 36 Cb 0.50 0.90 0.51 0.00 -0.26 0.00 0.00 64.21 65.86 1vha n SER 36 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1vha n ASP 37 N -0.88 1.07 -0.11 4.04 5.75 -1.21 -4.91 116.55 120.31 1vha n ASP 37 Ca -0.01 -1.52 -0.01 0.00 -0.01 0.00 0.00 54.79 53.23 1vha n ASP 37 Cb 0.17 -0.05 -0.01 0.00 -1.03 0.00 0.00 41.12 40.21 1vha n ASP 37 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vha n GLY 38 N 1.05 0.46 3.56 6.12 0.00 -1.26 -4.95 105.19 110.16 1vha n GLY 38 Ca 0.17 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1vha n GLY 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vha s ASP 39 N -2.19 5.86 0.45 1.61 3.68 -1.26 -4.83 116.67 120.00 1vha s ASP 39 Ca 0.00 -0.77 0.25 0.00 2.13 0.00 0.00 52.55 54.17 1vha s ASP 39 Cb 0.00 -2.56 0.90 0.00 -1.45 0.00 0.00 42.92 39.81 1vha s ASP 39 CO 0.00 -2.05 1.81 1.62 0.13 0.00 0.00 175.17 176.68 1vha h VAL 40 N 6.79 0.42 0.24 1.11 3.04 -1.93 -2.37 116.25 123.54 1vha h VAL 40 Ca 0.01 -1.07 -0.01 0.00 -1.01 0.00 0.00 66.70 64.62 1vha h VAL 40 Cb 1.04 1.78 0.00 0.00 -2.01 0.00 0.00 31.29 32.10 1vha h VAL 40 CO 1.31 0.18 -0.11 0.00 -1.01 0.00 0.00 177.57 177.93 1vha h ALA 41 N 1.82 -0.32 -0.27 3.17 0.00 -1.91 -2.23 119.26 119.51 1vha h ALA 41 Ca -0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1vha h ALA 41 Cb 0.76 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1vha h ALA 41 CO 0.02 -0.40 -0.08 -0.07 0.00 0.00 0.00 179.25 178.72 1vha h LEU 42 N -0.87 0.42 -0.21 0.00 3.38 -1.98 -1.65 115.31 114.39 1vha h LEU 42 Ca -0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1vha h LEU 42 Cb 0.51 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1vha h LEU 42 CO 0.05 0.54 0.10 0.45 0.09 0.00 0.00 178.44 179.68 1vha h HIS 43 N 0.42 0.31 -0.65 1.13 3.86 -1.45 0.31 115.15 119.08 1vha h HIS 43 Ca 0.08 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.19 1vha h HIS 43 Cb 0.40 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 1vha h HIS 43 CO 0.01 0.31 0.07 0.00 0.86 0.00 0.00 177.93 179.18 1vha h ALA 44 N 0.97 0.89 -0.50 2.45 0.00 -1.20 -1.33 119.26 120.54 1vha h ALA 44 Ca 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1vha h ALA 44 Cb 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1vha h ALA 44 CO -0.01 0.67 0.26 1.25 0.00 0.00 0.00 179.25 181.42 1vha h LEU 45 N 1.02 0.65 -0.68 0.00 5.85 -0.98 -0.27 115.31 120.90 1vha h LEU 45 Ca 0.19 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1vha h LEU 45 Cb 0.48 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1vha h LEU 45 CO 0.02 0.58 0.42 0.74 -0.34 0.00 0.00 178.44 179.86 1vha h THR 46 N 0.67 1.08 -0.13 1.05 2.02 -0.09 -0.37 112.91 117.13 1vha h THR 46 Ca 0.18 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 1vha h THR 46 Cb 0.09 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1vha h THR 46 CO -0.02 0.15 -0.28 0.44 0.37 0.00 0.00 175.52 176.18 1vha h ASP 47 N 0.82 0.25 -0.26 4.18 3.32 -0.73 -1.27 116.42 122.72 1vha h ASP 47 Ca 0.28 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 57.11 1vha h ASP 47 Cb 0.03 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1vha h ASP 47 CO -0.11 0.53 -0.37 0.00 -1.72 0.00 0.00 179.24 177.56 1vha h ALA 48 N 1.50 0.40 0.11 3.45 0.00 -0.14 0.82 119.26 125.40 1vha h ALA 48 Ca 0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1vha h ALA 48 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1vha h ALA 48 CO 0.04 0.48 -0.05 0.82 0.00 0.00 0.00 179.25 180.54 1vha h ILE 49 N 0.45 1.03 -0.60 0.00 2.04 -0.95 -0.85 117.51 118.63 1vha h ILE 49 Ca 0.03 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1vha h ILE 49 Cb 0.96 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 1vha h ILE 49 CO 0.09 0.14 0.34 -0.07 0.00 0.00 0.00 178.15 178.64 1vha h LEU 50 N -0.43 0.74 -1.13 1.44 3.38 -1.28 -2.69 115.31 115.33 1vha h LEU 50 Ca -0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1vha h LEU 50 Cb 0.35 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1vha h LEU 50 CO 0.03 0.61 0.27 1.23 0.09 0.00 0.00 178.44 180.66 1vha h GLY 51 N 0.81 0.94 1.05 0.83 0.00 -0.75 0.33 103.07 106.27 1vha h GLY 51 Ca 0.21 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1vha h GLY 51 CO -0.04 0.44 0.06 0.00 0.00 0.00 0.00 176.54 177.01 1vha h ALA 52 N 1.42 0.80 -0.01 3.60 0.00 -0.91 -2.02 119.26 122.15 1vha h ALA 52 Ca 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1vha h ALA 52 Cb 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1vha h ALA 52 CO -0.02 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1vha n ALA 53 N -2.45 2.66 -3.13 0.00 0.00 -1.00 -4.63 120.51 111.96 1vha n ALA 53 Ca 0.03 -0.23 -0.21 0.00 0.00 0.00 0.00 53.44 53.03 1vha n ALA 53 Cb 0.30 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.37 1vha n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vha n ALA 54 N -0.76 -1.00 -0.72 0.00 0.00 -0.42 -4.89 120.51 112.72 1vha n ALA 54 Ca 0.21 0.30 -0.07 0.00 0.00 0.00 0.00 53.44 53.89 1vha n ALA 54 Cb 0.14 -4.13 0.25 0.00 0.00 0.00 0.00 19.45 15.72 1vha n ALA 54 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vha n LEU 55 N -4.05 5.54 0.00 0.00 4.77 0.10 -5.00 117.00 118.37 1vha n LEU 55 Ca -0.07 -2.89 0.00 0.00 -0.03 0.00 0.00 56.01 53.02 1vha n LEU 55 Cb 0.60 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1vha n LEU 55 CO 0.49 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 1vha n GLY 56 N -0.15 1.92 3.83 -0.72 0.00 -1.26 -4.88 105.19 103.93 1vha n GLY 56 Ca 0.36 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 1vha n GLY 56 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1vha s ASP 57 N -4.00 -0.05 0.61 1.61 1.47 -1.26 -4.14 116.67 110.91 1vha s ASP 57 Ca 0.00 -0.82 0.29 0.00 1.18 0.00 0.00 52.55 53.20 1vha s ASP 57 Cb 0.00 0.66 1.55 0.00 -0.34 0.00 0.00 42.92 44.79 1vha s ASP 57 CO 0.00 -1.29 1.94 -0.29 0.68 0.00 0.00 175.17 176.21 1vha h ILE 58 N 2.00 0.29 -0.12 2.11 2.10 -1.90 -2.04 117.51 119.96 1vha h ILE 58 Ca -0.28 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.64 1vha h ILE 58 Cb 1.24 0.67 -0.01 0.00 -1.09 0.00 0.00 36.82 37.63 1vha h ILE 58 CO 0.35 0.00 0.00 1.23 -1.08 0.00 0.00 178.15 178.66 1vha h GLY 59 N 0.00 0.17 -2.48 8.18 0.00 -1.96 -2.52 103.07 104.46 1vha h GLY 59 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1vha h GLY 59 CO -0.00 0.07 0.00 0.28 0.00 0.00 0.00 176.54 176.89 1vha n LYS 60 N -4.44 3.27 0.23 4.80 5.02 -0.76 -4.32 118.16 121.95 1vha n LYS 60 Ca -0.01 -1.84 0.14 0.00 -2.02 0.00 0.00 58.31 54.57 1vha n LYS 60 Cb 0.14 -1.94 0.33 0.00 -0.02 0.00 0.00 35.03 33.55 1vha n LYS 60 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1vha h LEU 61 N 2.35 0.00 -7.42 -0.35 3.38 -1.62 -3.46 115.31 108.19 1vha h LEU 61 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1vha h LEU 61 Cb 1.35 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.87 1vha h LEU 61 CO 0.28 0.00 -0.31 -0.36 0.09 0.00 0.00 178.44 178.14 1vha s PHE 62 N -3.33 -0.32 -1.61 1.13 0.08 -1.26 -5.07 117.98 107.60 1vha s PHE 62 Ca 0.06 0.75 0.13 0.00 0.12 0.00 0.00 56.93 57.98 1vha s PHE 62 Cb 0.07 0.12 0.69 0.00 -0.57 0.00 0.00 43.02 43.32 1vha s PHE 62 CO 0.62 -0.23 1.29 -0.35 -0.10 0.00 0.00 175.22 176.45 1vha n PRO 63 N 2.49 0.25 0.00 0.24 -0.04 -1.26 -5.10 135.00 131.58 1vha n PRO 63 Ca -0.15 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1vha n PRO 63 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1vha n PRO 63 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1vha n ASN 71 N -1.20 0.00 -0.10 3.54 4.05 -1.26 -5.26 115.26 115.03 1vha n ASN 71 Ca 0.07 0.00 -0.21 0.00 0.45 0.00 0.00 54.58 54.90 1vha n ASN 71 Cb 0.08 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.02 1vha n ASN 71 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1vha n ALA 72 N 0.00 1.47 -1.90 5.20 0.00 -1.26 -4.90 120.51 119.11 1vha n ALA 72 Ca 0.00 -0.85 -0.42 0.00 0.00 0.00 0.00 53.44 52.16 1vha n ALA 72 Cb 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 1vha n ALA 72 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1vha s ASP 73 N -6.80 6.47 0.26 0.00 2.15 -1.26 -3.33 116.67 114.16 1vha s ASP 73 Ca -0.30 2.24 -0.05 0.00 0.43 0.00 0.00 52.55 54.87 1vha s ASP 73 Cb 0.10 -2.53 0.30 0.00 -0.30 0.00 0.00 42.92 40.49 1vha s ASP 73 CO 0.39 -1.09 1.88 0.28 -0.17 0.00 0.00 175.17 176.46 1vha h SER 74 N 10.44 1.04 -0.96 -0.34 0.02 -1.95 -2.53 113.55 119.26 1vha h SER 74 Ca -0.41 -0.09 0.15 0.00 -0.84 0.00 0.00 61.79 60.60 1vha h SER 74 Cb 1.20 -0.26 -0.08 0.00 0.14 0.00 0.00 62.40 63.39 1vha h SER 74 CO 0.96 0.83 0.61 0.03 -1.14 0.00 0.00 176.83 178.12 1vha h ARG 75 N 1.17 0.79 -0.28 3.45 3.08 -1.97 0.41 114.38 121.03 1vha h ARG 75 Ca 0.29 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 1vha h ARG 75 Cb 0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1vha h ARG 75 CO -0.05 0.52 0.18 0.78 -1.07 0.00 0.00 179.97 180.33 1vha h GLY 76 N 0.82 0.41 1.14 0.04 0.00 -1.85 0.89 103.07 104.52 1vha h GLY 76 Ca 0.50 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.62 1vha h GLY 76 CO -0.27 0.16 0.26 1.41 0.00 0.00 0.00 176.54 178.10 1vha h LEU 77 N 0.37 1.01 0.13 3.11 3.38 -0.79 -0.54 115.31 121.98 1vha h LEU 77 Ca 0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1vha h LEU 77 Cb -0.00 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1vha h LEU 77 CO -0.02 0.91 -0.06 0.25 0.09 0.00 0.00 178.44 179.61 1vha h LEU 78 N 1.06 -0.14 -0.30 1.67 5.85 0.29 0.16 115.31 123.90 1vha h LEU 78 Ca 0.24 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1vha h LEU 78 Cb 0.24 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1vha h LEU 78 CO -0.02 -0.05 0.20 0.03 -0.34 0.00 0.00 178.44 178.26 1vha h ARG 79 N -0.23 0.39 -0.80 1.25 3.08 -0.65 0.87 114.38 118.30 1vha h ARG 79 Ca -0.02 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.08 1vha h ARG 79 Cb 0.18 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 1vha h ARG 79 CO 0.03 0.26 0.46 1.49 -1.07 0.00 0.00 179.97 181.14 1vha h GLU 80 N 0.40 0.79 -0.61 0.04 4.57 -0.92 0.39 114.58 119.24 1vha h GLU 80 Ca 0.11 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.16 1vha h GLU 80 Cb -0.04 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.34 1vha h GLU 80 CO -0.02 0.53 0.06 0.00 -1.18 0.00 0.00 179.01 178.40 1vha h ALA 81 N 1.41 0.95 -0.51 2.92 0.00 -0.04 -2.38 119.26 121.62 1vha h ALA 81 Ca 0.37 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1vha h ALA 81 Cb 0.26 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1vha h ALA 81 CO -0.21 0.64 -0.11 0.35 0.00 0.00 0.00 179.25 179.92 1vha h PHE 82 N 0.95 1.06 -0.42 0.00 3.04 0.83 -2.44 116.94 119.97 1vha h PHE 82 Ca 0.18 -0.21 0.05 0.00 3.98 0.00 0.00 57.97 61.97 1vha h PHE 82 Cb 0.46 -0.27 -0.05 0.00 2.56 0.00 0.00 35.95 38.66 1vha h PHE 82 CO 0.03 1.00 0.16 -0.09 -2.02 0.00 0.00 178.31 177.39 1vha h ARG 83 N 0.85 0.32 0.00 1.11 2.43 -0.03 -0.35 114.38 118.71 1vha h ARG 83 Ca 0.13 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1vha h ARG 83 Cb 0.66 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1vha h ARG 83 CO 0.05 0.21 0.00 1.04 -1.51 0.00 0.00 179.97 179.76 1vha n GLN 84 N -5.00 0.21 0.08 0.20 6.02 -0.92 -1.90 117.38 116.07 1vha n GLN 84 Ca 0.03 0.44 -0.18 0.00 -0.01 0.00 0.00 57.00 57.27 1vha n GLN 84 Cb 0.15 -1.90 -0.14 0.00 1.02 0.00 0.00 30.24 29.37 1vha n GLN 84 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1vha h VAL 85 N 0.00 1.21 -0.35 5.09 2.07 -0.63 -3.29 116.25 120.35 1vha h VAL 85 Ca 0.00 -2.81 -0.00 0.00 0.82 0.00 0.00 66.70 64.71 1vha h VAL 85 Cb 0.37 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1vha h VAL 85 CO 0.00 0.83 0.20 1.56 0.02 0.00 0.00 177.57 180.19 1vha h GLN 86 N 0.08 0.49 -1.01 1.57 1.08 -0.50 -0.81 115.11 116.00 1vha h GLN 86 Ca -0.23 -0.05 0.24 0.00 -1.45 0.00 0.00 58.65 57.16 1vha h GLN 86 Cb 2.03 -0.10 -0.11 0.00 -0.05 0.00 0.00 27.48 29.25 1vha h GLN 86 CO 0.18 0.39 0.62 0.93 -0.95 0.00 0.00 178.83 180.00 1vha h GLU 87 N 0.45 0.54 -0.29 1.46 5.08 -1.48 0.74 114.58 121.07 1vha h GLU 87 Ca 0.13 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1vha h GLU 87 Cb 0.03 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1vha h GLU 87 CO -0.02 0.35 0.00 1.63 -1.00 0.00 0.00 179.01 179.97 1vha n LYS 88 N -4.79 1.60 -1.47 2.33 5.02 -1.01 -4.88 118.16 114.97 1vha n LYS 88 Ca 0.26 -0.86 0.00 0.00 -2.02 0.00 0.00 58.31 55.69 1vha n LYS 88 Cb 0.76 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 1vha n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vha n GLY 89 N 0.82 0.50 3.67 0.72 0.00 0.26 -5.01 105.19 106.13 1vha n GLY 89 Ca 0.08 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 1vha n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vha s TYR 90 N -2.00 3.02 0.27 1.61 1.51 -0.34 -1.13 117.35 120.29 1vha s TYR 90 Ca 0.00 0.03 0.07 0.00 -1.01 0.00 0.00 57.07 56.16 1vha s TYR 90 Cb 0.00 -1.63 -0.06 0.00 -0.11 0.00 0.00 41.96 40.17 1vha s TYR 90 CO 0.00 0.45 -0.07 0.21 -1.11 0.00 0.00 175.55 175.03 1vha s LYS 91 N -1.69 1.54 0.03 -0.62 2.20 0.15 -3.66 119.74 117.68 1vha s LYS 91 Ca 0.20 -1.77 -0.26 0.00 -0.36 0.00 0.00 55.97 53.78 1vha s LYS 91 Cb -0.11 -1.19 -0.05 0.00 -1.51 0.00 0.00 37.83 34.97 1vha s LYS 91 CO 0.11 0.06 0.79 0.42 -0.36 0.00 0.00 175.35 176.38 1vha s ILE 92 N -2.98 4.77 -0.11 5.43 1.09 -1.26 -0.85 121.20 127.29 1vha s ILE 92 Ca 0.29 1.68 -0.06 0.00 -1.10 0.00 0.00 60.65 61.46 1vha s ILE 92 Cb 0.03 -4.14 -0.02 0.00 -1.06 0.00 0.00 42.46 37.27 1vha s ILE 92 CO 0.12 0.32 -0.12 1.23 -0.10 0.00 0.00 174.94 176.39 1vha h GLY 93 N 5.93 0.00 -4.63 6.18 0.00 -0.02 -3.44 103.07 107.09 1vha h GLY 93 Ca -0.43 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.05 1vha h GLY 93 CO 0.72 0.00 0.71 0.54 0.00 0.00 0.00 176.54 178.51 1vha s ASN 94 N -5.33 -0.23 0.02 0.19 4.22 -1.16 -4.89 114.94 107.76 1vha s ASN 94 Ca -0.10 0.25 0.06 0.00 -2.14 0.00 0.00 52.86 50.94 1vha s ASN 94 Cb 0.01 0.19 -0.02 0.00 1.28 0.00 0.00 41.25 42.71 1vha s ASN 94 CO 0.14 -0.22 -0.19 0.68 -2.04 0.00 0.00 177.10 175.48 1vha s VAL 95 N -1.09 1.49 -0.12 3.54 -7.23 -0.00 -1.65 120.40 115.35 1vha s VAL 95 Ca 0.03 -1.01 0.01 0.00 -1.81 0.00 0.00 61.98 59.19 1vha s VAL 95 Cb -0.01 -1.28 0.02 0.00 0.56 0.00 0.00 36.38 35.67 1vha s VAL 95 CO -0.02 0.24 -0.12 -0.62 -0.31 0.00 0.00 175.10 174.27 1vha s ASP 96 N -0.90 2.34 -0.07 4.85 3.68 -0.48 -0.98 116.67 125.11 1vha s ASP 96 Ca 0.06 -0.39 0.04 0.00 2.13 0.00 0.00 52.55 54.40 1vha s ASP 96 Cb -0.08 -1.00 -0.00 0.00 -1.45 0.00 0.00 42.92 40.39 1vha s ASP 96 CO 0.01 -0.05 -0.21 -0.63 0.13 0.00 0.00 175.17 174.42 1vha s ILE 97 N 1.33 1.78 -0.30 4.11 1.01 0.16 -1.44 121.20 127.85 1vha s ILE 97 Ca -0.00 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.79 1vha s ILE 97 Cb -0.14 -1.54 0.07 0.00 0.01 0.00 0.00 42.46 40.87 1vha s ILE 97 CO -0.06 0.50 -0.03 -0.89 0.00 0.00 0.00 174.94 174.46 1vha s THR 98 N 0.21 2.39 -0.28 2.92 2.01 0.15 -0.97 115.64 122.07 1vha s THR 98 Ca -0.12 -1.81 -0.25 0.00 0.31 0.00 0.00 61.69 59.83 1vha s THR 98 Cb -0.15 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 69.85 1vha s THR 98 CO 0.05 -0.23 0.86 -0.63 -0.69 0.00 0.00 174.62 173.98 1vha s ILE 99 N 1.07 4.76 -0.47 1.82 1.01 -0.31 -0.60 121.20 128.49 1vha s ILE 99 Ca -0.02 1.43 -0.16 0.00 0.00 0.00 0.00 60.65 61.89 1vha s ILE 99 Cb -0.20 -4.18 0.06 0.00 0.01 0.00 0.00 42.46 38.15 1vha s ILE 99 CO -0.05 -0.22 0.44 -0.63 0.00 0.00 0.00 174.94 174.48 1vha s ILE 100 N 3.03 5.14 -0.08 2.92 1.01 -0.73 -0.64 121.20 131.85 1vha s ILE 100 Ca 0.36 -0.81 -0.19 0.00 0.00 0.00 0.00 60.65 60.01 1vha s ILE 100 Cb -0.14 -4.14 0.04 0.00 0.01 0.00 0.00 42.46 38.23 1vha s ILE 100 CO 0.11 -0.59 0.45 0.00 0.00 0.00 0.00 174.94 174.91 1vha s ALA 101 N 1.93 -1.13 -1.31 9.38 0.00 -0.12 -1.69 121.76 128.82 1vha s ALA 101 Ca 0.08 0.88 -0.10 0.00 0.00 0.00 0.00 51.96 52.81 1vha s ALA 101 Cb -0.22 -0.23 0.14 0.00 0.00 0.00 0.00 23.12 22.82 1vha s ALA 101 CO 0.09 -0.27 1.93 0.94 0.00 0.00 0.00 175.76 178.45 1vha n GLN 102 N 1.71 3.48 -3.81 0.00 -0.06 -1.25 -4.06 117.38 113.39 1vha n GLN 102 Ca -0.18 -3.37 -0.09 0.00 -2.00 0.00 0.00 57.00 51.36 1vha n GLN 102 Cb 0.56 -3.00 -0.06 0.00 -4.06 0.00 0.00 30.24 23.69 1vha n GLN 102 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1vha s ALA 103 N 0.94 -0.41 0.01 1.69 0.00 -1.26 -4.99 121.76 117.73 1vha s ALA 103 Ca 0.41 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1vha s ALA 103 Cb 0.10 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1vha s ALA 103 CO -0.01 -0.59 0.00 -0.35 0.00 0.00 0.00 175.76 174.81 1vha n PRO 104 N -0.15 0.00 -1.62 0.00 -0.04 -1.26 -4.91 135.00 127.02 1vha n PRO 104 Ca -0.14 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.17 1vha n PRO 104 Cb 0.63 -0.45 -0.12 0.00 -0.04 0.00 0.00 33.50 33.52 1vha n PRO 104 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1vha s LYS 105 N -2.00 1.17 0.00 0.54 3.01 -1.26 -4.84 119.74 116.36 1vha s LYS 105 Ca 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 55.97 54.49 1vha s LYS 105 Cb 0.00 -4.99 0.00 0.00 -1.01 0.00 0.00 37.83 31.83 1vha s LYS 105 CO 0.00 -5.54 0.00 -2.13 0.51 0.00 0.00 175.35 168.19 1vha n ARG 107 N 8.15 0.00 -0.05 1.68 3.00 -1.26 -4.76 116.66 123.42 1vha n ARG 107 Ca 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 58.25 1vha n ARG 107 Cb 0.47 -0.10 0.25 0.00 0.00 0.00 0.00 32.46 33.08 1vha n ARG 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1vha h PRO 108 N 0.00 0.64 -0.01 -0.14 0.11 -2.05 -3.11 132.00 127.45 1vha h PRO 108 Ca 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1vha h PRO 108 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1vha h PRO 108 CO 0.00 0.64 -0.13 0.72 -0.21 0.00 0.00 178.00 179.02 1vha n HIS 109 N -4.27 0.00 -0.21 0.65 8.25 -1.26 -4.33 115.22 114.05 1vha n HIS 109 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1vha n HIS 109 Cb 0.25 -0.12 0.12 0.00 1.12 0.00 0.00 29.99 31.36 1vha n HIS 109 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1vha h ILE 110 N 1.09 0.76 -0.48 1.59 1.08 -1.93 -2.50 117.51 117.11 1vha h ILE 110 Ca 0.00 -0.14 -0.07 0.00 -0.39 0.00 0.00 64.86 64.26 1vha h ILE 110 Cb 0.41 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 1vha h ILE 110 CO 0.00 0.08 0.03 0.44 -0.69 0.00 0.00 178.15 178.01 1vha h ASP 111 N 0.42 0.75 0.00 1.72 3.45 -1.82 -1.48 116.42 119.46 1vha h ASP 111 Ca 0.32 -0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.61 1vha h ASP 111 Cb 0.40 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 1vha h ASP 111 CO -0.31 0.80 0.00 0.00 -1.57 0.00 0.00 179.24 178.15 1vha n ALA 112 N -2.47 1.35 0.00 3.45 0.00 -0.94 -1.28 120.51 120.61 1vha n ALA 112 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1vha n ALA 112 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1vha n ALA 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vha n ARG 114 N 0.66 0.00 0.11 0.00 1.74 -0.56 -2.21 116.66 116.41 1vha n ARG 114 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1vha n ARG 114 Cb 0.04 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.42 1vha n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vha h ALA 115 N 0.00 -0.43 -0.54 7.54 0.00 -1.47 0.34 119.26 124.71 1vha h ALA 115 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1vha h ALA 115 Cb 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1vha h ALA 115 CO 0.00 -0.79 0.36 0.87 0.00 0.00 0.00 179.25 179.69 1vha h LYS 116 N -0.46 0.69 -0.16 0.00 1.57 -1.70 -1.44 116.57 115.07 1vha h LYS 116 Ca 0.03 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 1vha h LYS 116 Cb 0.48 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.64 1vha h LYS 116 CO -0.14 0.46 -0.60 0.82 -0.57 0.00 0.00 179.45 179.42 1vha h ILE 117 N 0.71 1.32 -0.62 1.86 2.04 -1.70 -2.64 117.51 118.48 1vha h ILE 117 Ca 0.20 -1.84 0.03 0.00 1.00 0.00 0.00 64.86 64.24 1vha h ILE 117 Cb -0.06 2.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 1vha h ILE 117 CO -0.04 0.57 0.41 0.00 0.00 0.00 0.00 178.15 179.09 1vha h ALA 118 N 0.54 1.64 0.04 1.87 0.00 0.18 -1.48 119.26 122.05 1vha h ALA 118 Ca -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1vha h ALA 118 Cb 1.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1vha h ALA 118 CO 0.13 0.30 -0.02 1.49 0.00 0.00 0.00 179.25 181.15 1vha h GLU 119 N 0.76 -0.05 0.00 0.00 4.81 -1.17 0.68 114.58 119.61 1vha h GLU 119 Ca 0.24 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1vha h GLU 119 Cb 0.03 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1vha h GLU 119 CO -0.06 0.29 -0.01 -0.44 -0.73 0.00 0.00 179.01 178.06 1vha h ASP 120 N -0.39 0.00 -0.14 1.04 3.32 -1.14 -1.71 116.42 117.41 1vha h ASP 120 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1vha h ASP 120 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1vha h ASP 120 CO 0.01 0.01 0.00 0.18 -1.72 0.00 0.00 179.24 177.71 1vha n LEU 121 N -3.11 2.83 -2.46 1.55 4.77 -0.59 -4.56 117.00 115.44 1vha n LEU 121 Ca -0.01 -1.19 -0.11 0.00 -0.03 0.00 0.00 56.01 54.67 1vha n LEU 121 Cb 0.19 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1vha n LEU 121 CO 0.24 0.54 -0.14 0.00 -1.33 0.00 0.00 177.39 176.70 1vha n GLN 122 N 1.14 -2.33 -3.67 3.23 6.02 0.15 -4.77 117.38 117.16 1vha n GLN 122 Ca 0.13 0.53 -0.22 0.00 -0.01 0.00 0.00 57.00 57.43 1vha n GLN 122 Cb 0.51 -5.12 -0.03 0.00 1.02 0.00 0.00 30.24 26.61 1vha n GLN 122 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1vha s ASP 124 N -3.17 6.89 0.65 0.00 2.15 -1.26 -4.58 116.67 117.35 1vha s ASP 124 Ca 0.09 1.32 0.40 0.00 0.43 0.00 0.00 52.55 54.79 1vha s ASP 124 Cb -0.01 -2.38 2.23 0.00 -0.30 0.00 0.00 42.92 42.46 1vha s ASP 124 CO 0.06 -0.09 2.31 -0.29 -0.17 0.00 0.00 175.17 176.98 1vha h ILE 125 N 2.31 0.12 0.00 4.11 2.10 -1.91 0.42 117.51 124.66 1vha h ILE 125 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.46 1vha h ILE 125 Cb 1.18 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 37.88 1vha h ILE 125 CO 0.65 0.00 0.00 1.21 -1.08 0.00 0.00 178.15 178.93 1vha n GLU 126 N -3.24 0.21 -0.05 2.19 0.00 -1.26 -2.36 120.64 116.12 1vha n GLU 126 Ca -0.03 0.10 0.12 0.00 0.00 0.00 0.00 57.16 57.35 1vha n GLU 126 Cb 0.11 -1.50 0.13 0.00 0.00 0.00 0.00 31.44 30.18 1vha n GLU 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1vha n GLN 127 N -1.36 2.38 -4.40 5.31 6.02 0.15 -4.90 117.38 120.58 1vha n GLN 127 Ca 0.09 -2.03 -0.29 0.00 -0.01 0.00 0.00 57.00 54.75 1vha n GLN 127 Cb 0.20 -1.48 -0.17 0.00 1.02 0.00 0.00 30.24 29.82 1vha n GLN 127 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1vha s VAL 128 N -1.86 1.55 -0.07 5.09 1.01 -1.00 -0.82 120.40 124.31 1vha s VAL 128 Ca 0.31 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.67 1vha s VAL 128 Cb 0.21 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1vha s VAL 128 CO 0.31 0.45 -0.21 0.21 0.00 0.00 0.00 175.10 175.86 1vha s ASN 129 N 1.06 3.45 -0.07 3.32 2.47 -0.15 -4.96 114.94 120.05 1vha s ASN 129 Ca -0.05 -0.41 -0.00 0.00 0.42 0.00 0.00 52.86 52.82 1vha s ASN 129 Cb -0.15 -0.96 0.03 0.00 -1.45 0.00 0.00 41.25 38.72 1vha s ASN 129 CO -0.03 0.26 -0.03 -0.69 -3.72 0.00 0.00 177.10 172.89 1vha s VAL 130 N -0.22 0.57 0.25 -5.21 1.01 -1.26 -0.67 120.40 114.87 1vha s VAL 130 Ca -0.01 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.01 1vha s VAL 130 Cb -0.13 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 1vha s VAL 130 CO 0.03 0.28 -0.11 -1.59 0.00 0.00 0.00 175.10 173.71 1vha s LYS 131 N 1.63 1.48 -0.05 2.72 -2.85 -0.14 -4.99 119.74 117.55 1vha s LYS 131 Ca 0.01 -1.71 0.01 0.00 -1.00 0.00 0.00 55.97 53.28 1vha s LYS 131 Cb -0.13 -1.24 0.02 0.00 -2.06 0.00 0.00 37.83 34.42 1vha s LYS 131 CO -0.04 0.14 -0.06 0.00 0.10 0.00 0.00 175.35 175.48 1vha s ALA 132 N -2.92 0.83 0.18 0.59 0.00 -1.26 -1.16 121.76 118.02 1vha s ALA 132 Ca 0.27 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.09 1vha s ALA 132 Cb 0.01 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 1vha s ALA 132 CO 0.10 0.01 0.02 -0.08 0.00 0.00 0.00 175.76 175.82 1vha s THR 133 N 0.86 0.58 0.38 0.00 -1.32 0.19 -4.95 115.64 111.37 1vha s THR 133 Ca -0.12 -1.97 0.06 0.00 -1.21 0.00 0.00 61.69 58.45 1vha s THR 133 Cb -0.15 -2.16 -0.07 0.00 -1.51 0.00 0.00 72.50 68.61 1vha s THR 133 CO 0.01 -0.42 0.01 0.42 -2.21 0.00 0.00 174.62 172.42 1vha s THR 134 N -3.73 1.82 -0.22 5.08 -4.23 -1.26 -0.94 115.64 112.17 1vha s THR 134 Ca 0.25 -2.03 0.15 0.00 -1.18 0.00 0.00 61.69 58.88 1vha s THR 134 Cb 0.06 -2.89 0.71 0.00 1.34 0.00 0.00 72.50 71.72 1vha s THR 134 CO 0.05 -0.03 1.63 0.35 -0.54 0.00 0.00 174.62 176.08 1vha n THR 135 N -0.87 2.61 -3.80 3.99 -2.24 -1.26 -4.95 114.28 107.76 1vha n THR 135 Ca -0.04 -1.61 -0.31 0.00 -2.27 0.00 0.00 64.05 59.82 1vha n THR 135 Cb 0.66 -0.28 0.02 0.00 -2.10 0.00 0.00 70.33 68.64 1vha n THR 135 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1vha n GLU 136 N 0.14 -1.88 -0.98 -0.78 1.02 -1.26 -1.68 120.64 115.21 1vha n GLU 136 Ca 0.26 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 1vha n GLU 136 Cb 1.10 -4.15 0.00 0.00 -0.02 0.00 0.00 31.44 28.37 1vha n GLU 136 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1vha n LYS 137 N -4.33 -1.37 -4.03 3.49 4.76 -1.26 -5.00 118.16 110.42 1vha n LYS 137 Ca -0.17 0.34 -0.23 0.00 -2.87 0.00 0.00 58.31 55.39 1vha n LYS 137 Cb 0.62 -4.42 -0.03 0.00 -1.84 0.00 0.00 35.03 29.36 1vha n LYS 137 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1vha s LEU 138 N 0.00 4.08 0.00 -0.35 1.43 -0.68 -4.24 118.68 118.93 1vha s LEU 138 Ca 0.00 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1vha s LEU 138 Cb 0.00 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.59 1vha s LEU 138 CO 0.00 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.16 1vha n GLY 139 N -1.09 -2.04 0.26 -3.19 0.00 -1.26 -1.43 105.19 96.43 1vha n GLY 139 Ca -0.08 -1.31 0.11 0.00 0.00 0.00 0.00 46.02 44.74 1vha n GLY 139 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1vha h PHE 140 N -0.81 0.00 0.07 1.61 -5.15 -1.95 0.11 116.94 110.81 1vha h PHE 140 Ca 0.02 0.00 -0.25 0.00 -0.20 0.00 0.00 57.97 57.54 1vha h PHE 140 Cb 0.80 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.96 1vha h PHE 140 CO 0.00 0.10 -1.15 1.79 -2.00 0.00 0.00 178.31 177.06 1vha h THR 141 N 0.00 1.59 -0.34 0.88 1.35 -1.74 0.17 112.91 114.82 1vha h THR 141 Ca -0.00 -3.22 -0.12 0.00 -0.55 0.00 0.00 66.41 62.52 1vha h THR 141 Cb 0.24 2.90 -0.01 0.00 -1.73 0.00 0.00 68.15 69.55 1vha h THR 141 CO 0.01 0.93 -0.29 1.23 -0.25 0.00 0.00 175.52 177.15 1vha h GLY 142 N 2.20 0.77 -0.36 5.82 0.00 0.03 -1.75 103.07 109.77 1vha h GLY 142 Ca -0.08 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1vha h GLY 142 CO 0.17 0.64 0.00 0.54 0.00 0.00 0.00 176.54 177.89 1vha n ARG 143 N -4.08 1.34 -3.52 4.80 1.74 0.22 -4.52 116.66 112.64 1vha n ARG 143 Ca -0.01 -0.52 -0.25 0.00 -0.77 0.00 0.00 57.85 56.29 1vha n ARG 143 Cb 0.47 -1.20 0.04 0.00 -1.02 0.00 0.00 32.46 30.75 1vha n ARG 143 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1vha n GLN 144 N -0.15 -5.92 0.00 5.56 6.02 -0.66 -4.86 117.38 117.37 1vha n GLN 144 Ca 0.09 0.74 0.12 0.00 -0.01 0.00 0.00 57.00 57.93 1vha n GLN 144 Cb 0.15 -5.66 0.23 0.00 1.02 0.00 0.00 30.24 25.98 1vha n GLN 144 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1vha n GLU 145 N -4.52 0.01 -3.21 -1.09 1.02 0.59 -4.95 120.64 108.49 1vha n GLU 145 Ca -0.01 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1vha n GLU 145 Cb 0.56 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 1vha n GLU 145 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vha n GLY 146 N 1.50 -1.34 3.02 0.62 0.00 -1.21 -1.92 105.19 105.86 1vha n GLY 146 Ca 0.05 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 1vha n GLY 146 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vha s ILE 147 N -2.68 0.48 0.49 -0.61 -4.36 -0.87 -4.28 121.20 109.38 1vha s ILE 147 Ca 0.00 -0.74 0.01 0.00 -0.26 0.00 0.00 60.65 59.66 1vha s ILE 147 Cb 0.00 -0.50 0.01 0.00 1.25 0.00 0.00 42.46 43.22 1vha s ILE 147 CO 0.00 -0.19 0.05 0.00 0.24 0.00 0.00 174.94 175.04 1vha n ALA 148 N 2.05 0.46 -3.64 2.27 0.00 -0.68 -1.38 120.51 119.58 1vha n ALA 148 Ca -0.19 -2.16 -0.05 0.00 0.00 0.00 0.00 53.44 51.03 1vha n ALA 148 Cb 0.56 1.15 -0.07 0.00 0.00 0.00 0.00 19.45 21.09 1vha n ALA 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vha s GLU 150 N 0.91 2.39 0.01 0.00 2.12 0.23 -2.17 118.70 122.19 1vha s GLU 150 Ca -0.04 -0.79 -0.04 0.00 0.36 0.00 0.00 54.97 54.46 1vha s GLU 150 Cb -0.04 -2.25 -0.01 0.00 0.26 0.00 0.00 34.13 32.09 1vha s GLU 150 CO -0.12 0.58 0.06 0.00 -0.54 0.00 0.00 175.26 175.24 1vha s ALA 151 N -0.62 -0.12 0.01 6.30 0.00 0.38 0.29 121.76 128.00 1vha s ALA 151 Ca 0.09 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.75 1vha s ALA 151 Cb -0.11 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 1vha s ALA 151 CO 0.00 -0.18 -0.06 0.14 0.00 0.00 0.00 175.76 175.66 1vha s VAL 152 N -1.36 0.48 0.06 0.00 -7.23 -0.52 0.03 120.40 111.85 1vha s VAL 152 Ca -0.15 -0.42 0.03 0.00 -1.81 0.00 0.00 61.98 59.64 1vha s VAL 152 Cb -0.08 -0.44 -0.03 0.00 0.56 0.00 0.00 36.38 36.39 1vha s VAL 152 CO 0.00 0.02 -0.10 0.00 -0.31 0.00 0.00 175.10 174.72 1vha s ALA 153 N -0.39 0.87 -0.18 1.32 0.00 0.19 -1.38 121.76 122.20 1vha s ALA 153 Ca -0.00 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.04 1vha s ALA 153 Cb -0.04 -0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.10 1vha s ALA 153 CO -0.00 0.03 -0.17 -1.17 0.00 0.00 0.00 175.76 174.46 1vha s LEU 154 N -1.81 2.09 -0.08 0.00 2.96 -0.66 -0.57 118.68 120.62 1vha s LEU 154 Ca -0.04 -0.67 -0.06 0.00 -0.22 0.00 0.00 54.13 53.14 1vha s LEU 154 Cb -0.08 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 1vha s LEU 154 CO 0.01 -0.04 0.16 -0.76 -1.32 0.00 0.00 176.35 174.39 1vha s LEU 155 N 1.35 4.38 0.03 -0.68 1.43 0.21 0.72 118.68 126.13 1vha s LEU 155 Ca 0.04 0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.62 1vha s LEU 155 Cb -0.14 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 1vha s LEU 155 CO -0.11 0.36 -0.14 0.27 0.23 0.00 0.00 176.35 176.95 1vha s ILE 156 N -1.14 1.15 0.17 -0.59 -4.36 -0.03 -0.27 121.20 116.13 1vha s ILE 156 Ca 0.20 -0.94 -0.32 0.00 -0.26 0.00 0.00 60.65 59.32 1vha s ILE 156 Cb -0.12 -1.02 -0.12 0.00 1.25 0.00 0.00 42.46 42.45 1vha s ILE 156 CO 0.09 0.07 1.73 0.54 0.24 0.00 0.00 174.94 177.62 1vha n ARG 157 N 2.04 2.64 0.00 0.37 5.12 -0.84 0.29 116.66 126.29 1vha n ARG 157 Ca -0.17 0.96 0.14 0.00 -1.93 0.00 0.00 57.85 56.84 1vha n ARG 157 Cb 0.55 -2.80 0.54 0.00 -1.16 0.00 0.00 32.46 29.59 1vha n ARG 157 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64