#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 0.47 -3.99 -3.43 4.77 -1.26 -4.68 117.00 108.87 1vha n LEU 1 Ca 0.00 0.21 -0.14 0.00 -0.03 0.00 0.00 56.01 56.05 1vha n LEU 1 Cb 0.00 0.21 -0.13 0.00 -2.33 0.00 0.00 43.42 41.17 1vha n LEU 1 CO 0.00 0.27 -0.40 -0.63 -1.33 0.00 0.00 177.39 175.30 1vha s ILE 2 N -2.82 0.43 -0.04 -0.08 1.01 -1.26 -3.15 121.20 115.29 1vha s ILE 2 Ca -0.06 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 1vha s ILE 2 Cb 0.08 -0.43 0.01 0.00 0.01 0.00 0.00 42.46 42.14 1vha s ILE 2 CO 0.83 -0.09 0.12 -0.13 0.00 0.00 0.00 174.94 175.67 1vha s ARG 3 N -0.70 0.15 0.01 2.79 1.81 -0.86 -4.98 118.95 117.18 1vha s ARG 3 Ca -0.03 0.12 0.04 0.00 -1.72 0.00 0.00 55.73 54.15 1vha s ARG 3 Cb -0.05 0.07 -0.03 0.00 -0.45 0.00 0.00 34.95 34.49 1vha s ARG 3 CO 0.00 -0.02 -0.10 -1.50 -0.68 0.00 0.00 175.30 173.00 1vha s ILE 4 N -0.03 3.38 0.04 1.52 2.07 -1.26 -0.49 121.20 126.43 1vha s ILE 4 Ca -0.01 -0.89 -0.06 0.00 -1.41 0.00 0.00 60.65 58.27 1vha s ILE 4 Cb -0.01 -2.45 -0.01 0.00 0.13 0.00 0.00 42.46 40.12 1vha s ILE 4 CO 0.00 0.38 0.11 -0.83 -1.91 0.00 0.00 174.94 172.70 1vha s GLY 5 N -1.41 0.15 -0.00 1.50 0.00 0.15 -3.88 107.32 103.84 1vha s GLY 5 Ca 0.16 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.35 1vha s GLY 5 CO 0.07 -0.68 -0.00 -1.58 0.00 0.00 0.00 173.10 170.90 1vha s HIS 6 N -2.74 0.09 0.09 1.90 5.04 -1.24 -1.20 115.29 117.22 1vha s HIS 6 Ca -0.04 0.00 0.06 0.00 -1.54 0.00 0.00 55.06 53.54 1vha s HIS 6 Cb -0.00 -0.09 -0.03 0.00 0.04 0.00 0.00 32.58 32.49 1vha s HIS 6 CO -0.05 -0.02 -0.14 0.20 -2.34 0.00 0.00 174.74 172.39 1vha s GLY 7 N 0.16 0.96 -0.11 1.59 0.00 0.33 -4.00 107.32 106.24 1vha s GLY 7 Ca -0.01 -1.12 -0.05 0.00 0.00 0.00 0.00 44.72 43.53 1vha s GLY 7 CO -0.00 -1.16 0.25 -0.12 0.00 0.00 0.00 173.10 172.07 1vha s PHE 8 N -1.61 -0.36 0.01 1.90 5.36 -1.26 -1.00 117.98 121.03 1vha s PHE 8 Ca 0.02 0.84 -0.03 0.00 -0.96 0.00 0.00 56.93 56.81 1vha s PHE 8 Cb -0.08 0.04 -0.01 0.00 -0.34 0.00 0.00 43.02 42.63 1vha s PHE 8 CO 0.03 -0.26 0.03 0.34 -1.46 0.00 0.00 175.22 173.89 1vha s ASP 9 N 1.50 0.15 0.02 6.13 -1.08 -0.68 -4.82 116.67 117.88 1vha s ASP 9 Ca -0.07 -0.36 0.02 0.00 -0.52 0.00 0.00 52.55 51.62 1vha s ASP 9 Cb -0.11 0.13 -0.01 0.00 -1.46 0.00 0.00 42.92 41.47 1vha s ASP 9 CO -0.09 -0.30 -0.07 -0.69 0.52 0.00 0.00 175.17 174.54 1vha s VAL 10 N -1.32 0.53 -0.13 1.11 1.01 -1.26 -0.78 120.40 119.55 1vha s VAL 10 Ca -0.14 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1vha s VAL 10 Cb -0.08 -0.52 0.03 0.00 0.00 0.00 0.00 36.38 35.81 1vha s VAL 10 CO -0.00 -0.11 -0.05 -2.28 0.00 0.00 0.00 175.10 172.66 1vha s HIS 11 N -0.73 1.44 0.08 5.22 2.46 -0.13 -4.99 115.29 118.64 1vha s HIS 11 Ca -0.03 -0.81 -0.22 0.00 0.47 0.00 0.00 55.06 54.46 1vha s HIS 11 Cb -0.06 -1.20 -0.07 0.00 -0.13 0.00 0.00 32.58 31.13 1vha s HIS 11 CO 0.00 -0.54 0.66 0.00 -2.47 0.00 0.00 174.74 172.40 1vha s ALA 12 N 1.72 3.50 0.20 1.58 0.00 -1.26 -1.56 121.76 125.94 1vha s ALA 12 Ca 0.03 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.86 1vha s ALA 12 Cb -0.14 -2.80 -0.08 0.00 0.00 0.00 0.00 23.12 20.10 1vha s ALA 12 CO -0.08 0.28 1.16 -0.06 0.00 0.00 0.00 175.76 177.06 1vha s PHE 13 N -0.80 3.48 0.08 0.00 0.08 -0.34 -4.80 117.98 115.69 1vha s PHE 13 Ca 0.33 1.51 0.01 0.00 0.12 0.00 0.00 56.93 58.89 1vha s PHE 13 Cb -0.20 -3.38 -0.04 0.00 -0.57 0.00 0.00 43.02 38.83 1vha s PHE 13 CO 0.21 -0.98 -0.06 0.20 -0.10 0.00 0.00 175.22 174.50 1vha s GLY 14 N -0.07 0.68 0.15 4.36 0.00 -1.26 -4.63 107.32 106.55 1vha s GLY 14 Ca 0.51 -1.27 0.08 0.00 0.00 0.00 0.00 44.72 44.04 1vha s GLY 14 CO 0.37 -1.37 -0.18 -1.83 0.00 0.00 0.00 173.10 170.09 1vha s GLU 15 N -3.67 1.23 0.12 2.90 1.03 -0.57 -4.97 118.70 114.76 1vha s GLU 15 Ca 0.09 -1.36 0.08 0.00 0.03 0.00 0.00 54.97 53.81 1vha s GLU 15 Cb 0.05 -1.27 -0.04 0.00 -0.80 0.00 0.00 34.13 32.07 1vha s GLU 15 CO -0.05 0.26 -0.19 -0.51 -1.33 0.00 0.00 175.26 173.43 1vha s ASP 16 N -2.57 2.47 -0.12 0.83 1.01 -1.26 -0.02 116.67 117.00 1vha s ASP 16 Ca 0.14 -0.74 -0.29 0.00 0.71 0.00 0.00 52.55 52.37 1vha s ASP 16 Cb -0.06 -0.13 0.07 0.00 1.01 0.00 0.00 42.92 43.81 1vha s ASP 16 CO 0.06 0.01 0.72 0.00 0.21 0.00 0.00 175.17 176.16 1vha s ARG 17 N -2.20 0.96 0.30 8.23 1.70 -0.36 -4.97 118.95 122.61 1vha s ARG 17 Ca 0.09 0.47 -0.20 0.00 -0.47 0.00 0.00 55.73 55.62 1vha s ARG 17 Cb -0.08 0.46 -0.09 0.00 -0.57 0.00 0.00 34.95 34.66 1vha s ARG 17 CO 0.05 -0.25 0.80 -1.25 -1.08 0.00 0.00 175.30 173.57 1vha s PRO 18 N -0.70 4.24 0.05 3.89 0.04 -1.26 -0.16 135.00 141.10 1vha s PRO 18 Ca -0.07 0.94 0.02 0.00 0.04 0.00 0.00 61.00 61.92 1vha s PRO 18 Cb -0.02 -2.64 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 1vha s PRO 18 CO 0.07 0.25 -0.07 -0.51 0.04 0.00 0.00 177.00 176.77 1vha s LEU 19 N -2.43 2.32 -0.26 -3.56 1.43 0.32 -4.91 118.68 111.59 1vha s LEU 19 Ca 0.50 -0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 52.86 1vha s LEU 19 Cb -0.14 -0.12 -0.04 0.00 0.03 0.00 0.00 46.19 45.92 1vha s LEU 19 CO 0.19 -0.28 0.11 -0.63 0.23 0.00 0.00 176.35 175.97 1vha s ILE 20 N -1.95 4.62 -0.06 -0.59 -1.09 -1.26 -0.10 121.20 120.78 1vha s ILE 20 Ca -0.05 -0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 58.29 1vha s ILE 20 Cb -0.06 -3.17 0.03 0.00 -1.58 0.00 0.00 42.46 37.67 1vha s ILE 20 CO -0.01 0.32 0.02 -0.63 -1.23 0.00 0.00 174.94 173.41 1vha s ILE 21 N 1.61 0.19 -1.27 2.92 1.01 0.18 -4.77 121.20 121.08 1vha s ILE 21 Ca 0.06 0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.93 1vha s ILE 21 Cb -0.15 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 41.94 1vha s ILE 21 CO 0.06 0.23 0.13 0.61 0.00 0.00 0.00 174.94 175.96 1vha n GLY 22 N 5.14 -0.25 2.87 6.18 0.00 -1.26 -1.65 105.19 116.22 1vha n GLY 22 Ca -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.10 0.64 3.52 -0.02 0.00 -1.26 -5.00 105.19 101.97 1vha n GLY 23 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.78 3.06 -0.14 1.61 1.01 -0.66 -5.09 120.40 117.41 1vha s VAL 24 Ca 0.00 -1.37 -0.21 0.00 0.00 0.00 0.00 61.98 60.40 1vha s VAL 24 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1vha s VAL 24 CO 0.00 0.13 0.61 -0.70 0.00 0.00 0.00 175.10 175.14 1vha s GLU 25 N -2.09 4.31 0.02 2.72 2.12 -1.26 0.51 118.70 125.03 1vha s GLU 25 Ca 0.19 0.65 0.02 0.00 0.36 0.00 0.00 54.97 56.19 1vha s GLU 25 Cb -0.11 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.77 1vha s GLU 25 CO 0.11 -0.04 -0.07 0.14 -0.54 0.00 0.00 175.26 174.86 1vha s VAL 26 N 1.24 0.49 0.32 3.70 -7.23 0.85 -4.95 120.40 114.82 1vha s VAL 26 Ca 0.31 -0.63 -0.26 0.00 -1.81 0.00 0.00 61.98 59.58 1vha s VAL 26 Cb -0.16 -0.49 -0.10 0.00 0.56 0.00 0.00 36.38 36.20 1vha s VAL 26 CO 0.13 -0.11 0.97 -2.16 -0.31 0.00 0.00 175.10 173.61 1vha s PRO 27 N -0.81 4.56 -0.11 4.82 0.04 -1.26 -0.52 135.00 141.72 1vha s PRO 27 Ca -0.03 1.39 0.01 0.00 0.04 0.00 0.00 61.00 62.41 1vha s PRO 27 Cb -0.06 -2.83 0.02 0.00 0.04 0.00 0.00 34.50 31.67 1vha s PRO 27 CO 0.00 0.24 -0.12 -0.47 0.04 0.00 0.00 177.00 176.70 1vha s TYR 28 N -1.56 1.72 -0.16 0.56 6.14 0.77 -4.90 117.35 119.91 1vha s TYR 28 Ca 0.50 -0.83 -0.06 0.00 0.64 0.00 0.00 57.07 57.32 1vha s TYR 28 Cb -0.20 -1.31 -0.04 0.00 0.42 0.00 0.00 41.96 40.83 1vha s TYR 28 CO 0.26 -0.48 0.05 -1.58 0.64 0.00 0.00 175.55 174.44 1vha s HIS 29 N 1.27 3.25 -0.12 4.97 5.65 -1.26 -1.22 115.29 127.83 1vha s HIS 29 Ca -0.02 0.10 -0.01 0.00 0.25 0.00 0.00 55.06 55.37 1vha s HIS 29 Cb -0.14 -2.02 -0.03 0.00 -1.18 0.00 0.00 32.58 29.21 1vha s HIS 29 CO -0.04 0.23 -0.07 0.99 -0.65 0.00 0.00 174.74 175.20 1vha s THR 30 N 0.10 3.67 0.00 0.89 2.01 0.97 -4.99 115.64 118.29 1vha s THR 30 Ca 0.05 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.59 1vha s THR 30 Cb -0.12 -2.56 0.00 0.00 0.01 0.00 0.00 72.50 69.83 1vha s THR 30 CO 0.01 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 1vha n GLY 31 N 3.08 -2.43 3.73 4.40 0.00 -1.26 -1.52 105.19 111.19 1vha n GLY 31 Ca -0.18 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.05 2.71 -2.14 1.61 -0.00 -1.26 -4.90 117.46 113.42 1vha n PHE 32 Ca 0.00 0.29 -0.42 0.00 -0.00 0.00 0.00 57.45 57.32 1vha n PHE 32 Cb 0.00 -2.57 -0.03 0.00 -0.00 0.00 0.00 39.48 36.89 1vha n PHE 32 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1vha s ILE 33 N -0.02 3.66 0.58 -2.13 1.01 -1.26 -4.76 121.20 118.27 1vha s ILE 33 Ca 0.65 0.95 -0.20 0.00 0.00 0.00 0.00 60.65 62.05 1vha s ILE 33 Cb -0.53 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1vha s ILE 33 CO 0.49 -0.04 1.19 0.00 0.00 0.00 0.00 174.94 176.58 1vha n ALA 34 N 6.13 0.93 -1.75 9.38 0.00 -1.26 -4.91 120.51 129.02 1vha n ALA 34 Ca 0.15 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1vha n ALA 34 Cb 0.43 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1vha n ALA 34 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1vha n HIS 35 N -1.45 0.00 -2.81 0.00 1.44 -1.26 -5.12 115.22 106.01 1vha n HIS 35 Ca 0.13 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.84 1vha n HIS 35 Cb 0.46 0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.68 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 0.00 -1.23 4.39 3.41 -1.26 -4.75 113.62 114.18 1vha n SER 36 Ca 0.00 -0.57 0.12 0.00 -0.26 0.00 0.00 58.87 58.16 1vha n SER 36 Cb 0.50 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.73 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 -0.43 3.61 -1.00 4.04 5.68 -1.13 -4.94 116.55 122.37 1vha n ASP 37 Ca 0.00 -1.99 -0.13 0.00 -0.50 0.00 0.00 54.79 52.17 1vha n ASP 37 Cb 0.00 -0.37 -0.06 0.00 -1.14 0.00 0.00 41.12 39.55 1vha n ASP 37 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vha n GLY 38 N 1.57 1.38 3.55 6.12 0.00 -1.26 -4.93 105.19 111.62 1vha n GLY 38 Ca 0.22 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.83 6.74 0.49 1.61 3.68 -1.26 -4.80 116.67 120.29 1vha s ASP 39 Ca 0.00 -2.14 0.13 0.00 2.13 0.00 0.00 52.55 52.67 1vha s ASP 39 Cb 0.00 -2.54 1.15 0.00 -1.45 0.00 0.00 42.92 40.08 1vha s ASP 39 CO 0.00 -1.22 2.12 -0.37 0.13 0.00 0.00 175.17 175.83 1vha h VAL 40 N 5.90 1.03 -0.15 1.11 -1.51 -1.92 -0.93 116.25 119.77 1vha h VAL 40 Ca 0.32 -0.07 -0.02 0.00 -1.23 0.00 0.00 66.70 65.70 1vha h VAL 40 Cb 0.93 0.87 -0.01 0.00 -2.13 0.00 0.00 31.29 30.95 1vha h VAL 40 CO 1.39 0.03 -0.00 0.00 -1.23 0.00 0.00 177.57 177.76 1vha h ALA 41 N 1.92 0.21 -0.07 5.19 0.00 -1.92 -0.34 119.26 124.25 1vha h ALA 41 Ca 0.04 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1vha h ALA 41 Cb -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1vha h ALA 41 CO -0.01 -0.09 -0.64 -0.07 0.00 0.00 0.00 179.25 178.44 1vha h LEU 42 N 0.01 0.32 -0.42 0.00 3.38 -1.90 -2.25 115.31 114.45 1vha h LEU 42 Ca 0.04 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1vha h LEU 42 Cb 0.38 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1vha h LEU 42 CO 0.01 0.88 0.09 0.45 0.09 0.00 0.00 178.44 179.96 1vha h HIS 43 N 0.20 0.71 -0.56 1.13 3.86 -1.06 -0.20 115.15 119.23 1vha h HIS 43 Ca -0.01 -0.09 -0.11 0.00 -1.16 0.00 0.00 60.37 59.00 1vha h HIS 43 Cb 1.17 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.42 1vha h HIS 43 CO 0.03 0.68 -0.08 0.00 0.86 0.00 0.00 177.93 179.41 1vha h ALA 44 N 0.95 0.76 -0.71 2.45 0.00 -1.02 -1.91 119.26 119.79 1vha h ALA 44 Ca 0.13 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1vha h ALA 44 Cb 0.33 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1vha h ALA 44 CO 0.00 0.66 0.19 1.25 0.00 0.00 0.00 179.25 181.36 1vha h LEU 45 N 0.93 1.04 -0.48 0.00 5.85 -1.26 -0.19 115.31 121.21 1vha h LEU 45 Ca 0.15 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1vha h LEU 45 Cb 0.65 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1vha h LEU 45 CO 0.04 0.99 0.22 0.74 -0.34 0.00 0.00 178.44 180.09 1vha h THR 46 N 1.06 1.20 -0.40 1.05 2.02 -0.83 -1.80 112.91 115.21 1vha h THR 46 Ca 0.23 -0.58 -0.12 0.00 0.77 0.00 0.00 66.41 66.71 1vha h THR 46 Cb 0.34 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1vha h THR 46 CO -0.00 0.22 -0.24 0.44 0.37 0.00 0.00 175.52 176.31 1vha h ASP 47 N 0.63 0.83 -0.63 4.18 3.32 -1.03 -1.46 116.42 122.26 1vha h ASP 47 Ca 0.16 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 1vha h ASP 47 Cb 0.15 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1vha h ASP 47 CO -0.02 1.03 0.32 0.00 -1.72 0.00 0.00 179.24 178.85 1vha h ALA 48 N 1.03 0.81 -0.14 3.45 0.00 -0.77 0.12 119.26 123.76 1vha h ALA 48 Ca 0.09 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1vha h ALA 48 Cb 0.77 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1vha h ALA 48 CO 0.06 0.36 -0.64 0.82 0.00 0.00 0.00 179.25 179.85 1vha h ILE 49 N 0.86 1.31 -0.07 0.00 2.04 -1.26 -1.02 117.51 119.38 1vha h ILE 49 Ca 0.22 -1.89 -0.06 0.00 1.00 0.00 0.00 64.86 64.13 1vha h ILE 49 Cb 0.09 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1vha h ILE 49 CO -0.03 0.59 -0.26 -0.07 0.00 0.00 0.00 178.15 178.38 1vha h LEU 50 N 0.37 0.11 -0.18 1.44 3.38 -1.15 -2.66 115.31 116.63 1vha h LEU 50 Ca -0.04 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1vha h LEU 50 Cb 1.28 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1vha h LEU 50 CO 0.13 0.37 -0.34 1.23 0.09 0.00 0.00 178.44 179.93 1vha h GLY 51 N 0.89 0.59 2.00 0.83 0.00 -0.60 0.19 103.07 106.97 1vha h GLY 51 Ca 0.02 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 1vha h GLY 51 CO 0.04 0.63 -0.08 0.00 0.00 0.00 0.00 176.54 177.13 1vha h ALA 52 N 0.58 1.37 -0.15 3.60 0.00 -1.01 -1.53 119.26 122.13 1vha h ALA 52 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1vha h ALA 52 Cb 0.94 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1vha h ALA 52 CO 0.08 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1vha n ALA 53 N -2.30 2.46 -3.21 0.00 0.00 -1.02 -4.53 120.51 111.92 1vha n ALA 53 Ca -0.02 -0.75 -0.23 0.00 0.00 0.00 0.00 53.44 52.43 1vha n ALA 53 Cb 0.18 -0.87 0.04 0.00 0.00 0.00 0.00 19.45 18.80 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 1.25 -1.07 0.76 0.00 0.00 -0.58 -4.87 120.51 115.99 1vha n ALA 54 Ca 0.16 0.31 0.12 0.00 0.00 0.00 0.00 53.44 54.03 1vha n ALA 54 Cb 0.57 -4.28 0.22 0.00 0.00 0.00 0.00 19.45 15.96 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 -4.29 2.93 0.00 0.00 4.77 0.56 -5.02 117.00 115.96 1vha n LEU 55 Ca -0.07 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 1vha n LEU 55 Cb 0.60 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1vha n LEU 55 CO 0.53 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 1vha n GLY 56 N 1.38 0.77 3.45 -0.72 0.00 -1.24 -4.93 105.19 103.90 1vha n GLY 56 Ca 0.17 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.02 0.67 1.61 1.47 -1.26 -4.16 116.67 110.97 1vha s ASP 57 Ca 0.00 -0.98 0.30 0.00 1.18 0.00 0.00 52.55 53.05 1vha s ASP 57 Cb 0.00 0.51 1.65 0.00 -0.34 0.00 0.00 42.92 44.74 1vha s ASP 57 CO 0.00 -1.02 1.93 -0.29 0.68 0.00 0.00 175.17 176.47 1vha h ILE 58 N 2.39 0.00 0.00 2.11 2.10 -1.90 0.67 117.51 122.88 1vha h ILE 58 Ca -0.29 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 -0.00 0.00 -1.09 0.00 0.00 36.82 37.65 1vha h ILE 58 CO 0.42 0.00 -0.04 1.23 -1.08 0.00 0.00 178.15 178.68 1vha h GLY 59 N 0.00 0.00 -7.08 8.18 0.00 -1.99 -3.34 103.07 98.84 1vha h GLY 59 Ca 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 47.33 46.58 1vha h GLY 59 CO -0.00 0.00 0.31 0.28 0.00 0.00 0.00 176.54 177.13 1vha n LYS 60 N -3.16 3.54 0.06 4.80 5.02 0.23 -4.69 118.16 123.96 1vha n LYS 60 Ca 0.00 -4.53 0.00 0.00 -2.02 0.00 0.00 58.31 51.76 1vha n LYS 60 Cb 0.30 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 32.85 1vha n LYS 60 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1vha n LEU 61 N 1.84 0.20 -3.91 -0.35 4.77 -1.26 -4.85 117.00 113.44 1vha n LEU 61 Ca 0.25 0.19 -0.29 0.00 -0.03 0.00 0.00 56.01 56.13 1vha n LEU 61 Cb 0.37 0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.35 1vha n LEU 61 CO 0.53 -0.56 -0.43 -0.36 -1.33 0.00 0.00 177.39 175.25 1vha s PHE 62 N -2.00 1.92 0.00 -1.77 0.08 -1.26 -5.14 117.98 109.81 1vha s PHE 62 Ca 0.00 -1.29 0.00 0.00 0.12 0.00 0.00 56.93 55.76 1vha s PHE 62 Cb 0.00 -1.41 0.00 0.00 -0.57 0.00 0.00 43.02 41.04 1vha s PHE 62 CO 0.00 -0.67 0.40 -0.35 -0.10 0.00 0.00 175.22 174.50 1vha n PRO 63 N 4.81 0.35 0.00 0.24 -0.04 -1.26 -5.16 135.00 133.94 1vha n PRO 63 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1vha n PRO 63 Cb 0.47 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1vha n PRO 63 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1vha n ASN 71 N 0.97 0.00 -0.05 3.54 4.13 -1.26 -5.25 115.26 117.33 1vha n ASN 71 Ca 0.00 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.09 1vha n ASN 71 Cb 0.17 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.28 1vha n ASN 71 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vha h ALA 72 N 0.00 0.05 -1.95 5.41 0.00 -1.95 -3.44 119.26 117.39 1vha h ALA 72 Ca 0.00 -0.72 -0.57 0.00 0.00 0.00 0.00 54.91 53.62 1vha h ALA 72 Cb 0.00 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1vha h ALA 72 CO 0.00 0.27 0.86 0.34 0.00 0.00 0.00 179.25 180.72 1vha s ASP 73 N -6.53 6.90 0.21 0.00 -1.08 -1.26 -2.81 116.67 112.09 1vha s ASP 73 Ca -0.20 1.06 -0.08 0.00 -0.52 0.00 0.00 52.55 52.80 1vha s ASP 73 Cb -0.00 -2.54 0.15 0.00 -1.46 0.00 0.00 42.92 39.07 1vha s ASP 73 CO 0.70 -0.91 1.78 0.28 0.52 0.00 0.00 175.17 177.53 1vha h SER 74 N 8.25 1.07 -0.31 -0.34 0.02 -1.96 -2.17 113.55 118.11 1vha h SER 74 Ca -0.21 -0.17 0.09 0.00 -0.84 0.00 0.00 61.79 60.66 1vha h SER 74 Cb 1.06 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1vha h SER 74 CO 1.04 0.94 0.24 0.03 -1.14 0.00 0.00 176.83 177.93 1vha h ARG 75 N 1.12 0.00 0.41 3.45 3.08 -1.96 0.18 114.38 120.66 1vha h ARG 75 Ca 0.26 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 1vha h ARG 75 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1vha h ARG 75 CO -0.02 0.00 -0.19 0.78 -1.07 0.00 0.00 179.97 179.46 1vha h GLY 76 N 0.00 -0.57 -0.04 0.04 0.00 -1.80 -2.44 103.07 98.26 1vha h GLY 76 Ca 0.15 0.21 0.26 0.00 0.00 0.00 0.00 47.33 47.94 1vha h GLY 76 CO -0.00 -0.21 0.66 1.41 0.00 0.00 0.00 176.54 178.41 1vha h LEU 77 N -0.81 0.41 -1.32 3.11 3.38 -1.28 0.43 115.31 119.23 1vha h LEU 77 Ca -0.06 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1vha h LEU 77 Cb 0.42 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1vha h LEU 77 CO 0.09 0.10 -0.01 0.25 0.09 0.00 0.00 178.44 178.96 1vha h LEU 78 N 0.38 0.41 0.22 1.67 5.85 -0.58 0.08 115.31 123.35 1vha h LEU 78 Ca 0.56 -0.07 -0.29 0.00 0.84 0.00 0.00 57.88 58.92 1vha h LEU 78 Cb 1.47 -0.11 0.03 0.00 0.37 0.00 0.00 40.66 42.42 1vha h LEU 78 CO -0.25 0.49 -1.29 0.03 -0.34 0.00 0.00 178.44 177.08 1vha h ARG 79 N 0.43 0.47 -0.82 1.25 3.08 0.30 -2.69 114.38 116.40 1vha h ARG 79 Ca 0.09 -0.81 0.01 0.00 0.07 0.00 0.00 59.98 59.34 1vha h ARG 79 Cb 0.30 0.30 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 1vha h ARG 79 CO 0.01 1.39 0.54 1.49 -1.07 0.00 0.00 179.97 182.33 1vha h GLU 80 N -0.01 1.08 -0.33 0.04 4.57 -1.07 0.13 114.58 119.00 1vha h GLU 80 Ca -0.22 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 57.85 1vha h GLU 80 Cb 2.02 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 30.35 1vha h GLU 80 CO 0.24 0.72 0.07 0.00 -1.18 0.00 0.00 179.01 178.86 1vha h ALA 81 N 1.48 0.44 0.00 2.92 0.00 -1.03 -2.60 119.26 120.48 1vha h ALA 81 Ca 0.30 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1vha h ALA 81 Cb -0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1vha h ALA 81 CO -0.06 0.12 -0.23 0.35 0.00 0.00 0.00 179.25 179.43 1vha h PHE 82 N 0.38 0.00 0.19 0.00 3.04 -1.00 -2.21 116.94 117.34 1vha h PHE 82 Ca 0.10 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 1vha h PHE 82 Cb 0.32 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.84 1vha h PHE 82 CO 0.02 0.23 -0.09 -0.09 -2.02 0.00 0.00 178.31 176.36 1vha h ARG 83 N 0.00 -0.25 -0.47 1.11 2.43 -0.40 -1.41 114.38 115.39 1vha h ARG 83 Ca -0.00 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1vha h ARG 83 Cb 0.65 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 1vha h ARG 83 CO 0.03 -0.00 0.14 1.96 -1.51 0.00 0.00 179.97 180.59 1vha h GLN 84 N -0.47 0.70 -0.62 0.20 4.20 -1.35 -0.70 115.11 117.07 1vha h GLN 84 Ca -0.03 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 1vha h GLN 84 Cb 0.36 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1vha h GLN 84 CO 0.04 0.61 0.17 0.28 -0.67 0.00 0.00 178.83 179.26 1vha h VAL 85 N 0.68 1.24 -0.39 -0.54 2.07 -1.28 -2.47 116.25 115.56 1vha h VAL 85 Ca 0.16 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 1vha h VAL 85 Cb 0.22 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1vha h VAL 85 CO -0.01 0.33 -0.00 1.56 0.02 0.00 0.00 177.57 179.47 1vha h GLN 86 N 0.92 0.70 -0.94 1.57 1.08 -0.33 -2.44 115.11 115.66 1vha h GLN 86 Ca 0.20 -0.22 0.17 0.00 -1.45 0.00 0.00 58.65 57.34 1vha h GLN 86 Cb 0.30 -0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 27.59 1vha h GLN 86 CO -0.00 0.79 0.60 0.93 -0.95 0.00 0.00 178.83 180.19 1vha h GLU 87 N 0.52 0.68 -0.05 1.46 5.08 -0.72 0.56 114.58 122.12 1vha h GLU 87 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1vha h GLU 87 Cb 0.47 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1vha h GLU 87 CO 0.02 0.45 0.00 1.63 -1.00 0.00 0.00 179.01 180.11 1vha n LYS 88 N -4.61 1.06 -1.04 2.33 5.02 -1.00 -4.88 118.16 115.05 1vha n LYS 88 Ca 0.20 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1vha n LYS 88 Cb 0.53 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 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 0.53 0.44 3.71 0.72 0.00 0.20 -5.03 105.19 105.75 1vha n GLY 89 Ca 0.01 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 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 2.76 0.07 1.61 1.51 -0.95 -0.66 117.35 119.69 1vha s TYR 90 Ca 0.00 -0.27 -0.06 0.00 -1.01 0.00 0.00 57.07 55.73 1vha s TYR 90 Cb 0.00 -1.41 -0.01 0.00 -0.11 0.00 0.00 41.96 40.43 1vha s TYR 90 CO 0.00 0.49 0.12 -1.59 -1.11 0.00 0.00 175.55 173.46 1vha s LYS 91 N -3.77 0.75 0.32 -0.62 -2.85 0.32 -4.04 119.74 109.84 1vha s LYS 91 Ca 0.34 -1.00 -0.29 0.00 -1.00 0.00 0.00 55.97 54.02 1vha s LYS 91 Cb -0.05 0.29 -0.10 0.00 -2.06 0.00 0.00 37.83 35.91 1vha s LYS 91 CO 0.22 -0.21 1.37 0.42 0.10 0.00 0.00 175.35 177.25 1vha s ILE 92 N -3.72 2.58 -0.27 3.79 -1.09 -1.26 -0.51 121.20 120.71 1vha s ILE 92 Ca 0.04 0.55 -0.11 0.00 -2.23 0.00 0.00 60.65 58.90 1vha s ILE 92 Cb 0.05 -3.35 -0.14 0.00 -1.58 0.00 0.00 42.46 37.44 1vha s ILE 92 CO -0.10 0.12 -0.29 0.61 -1.23 0.00 0.00 174.94 174.06 1vha n GLY 93 N 1.08 -0.46 0.00 6.18 0.00 0.10 -4.75 105.19 107.33 1vha n GLY 93 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1vha n GLY 93 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1vha n ASN 94 N -4.07 0.00 -4.18 1.61 6.94 -1.17 -4.87 115.26 109.51 1vha n ASN 94 Ca -0.52 0.00 -0.15 0.00 -0.02 0.00 0.00 54.58 53.89 1vha n ASN 94 Cb 0.90 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 38.21 1vha n ASN 94 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1vha s VAL 95 N -2.00 0.99 -0.11 3.53 -7.23 0.61 -1.81 120.40 114.38 1vha s VAL 95 Ca 0.00 -1.62 -0.04 0.00 -1.81 0.00 0.00 61.98 58.52 1vha s VAL 95 Cb 0.00 -1.35 0.05 0.00 0.56 0.00 0.00 36.38 35.64 1vha s VAL 95 CO 0.00 -0.52 0.14 -0.62 -0.31 0.00 0.00 175.10 173.79 1vha s ASP 96 N -2.39 1.22 -0.11 4.85 3.68 -0.90 -1.67 116.67 121.34 1vha s ASP 96 Ca 0.05 0.02 -0.03 0.00 2.13 0.00 0.00 52.55 54.73 1vha s ASP 96 Cb -0.04 0.12 -0.03 0.00 -1.45 0.00 0.00 42.92 41.52 1vha s ASP 96 CO 0.01 -0.28 -0.02 -0.63 0.13 0.00 0.00 175.17 174.38 1vha s ILE 97 N 2.25 4.11 -0.27 4.11 1.01 -0.38 -2.25 121.20 129.78 1vha s ILE 97 Ca 0.04 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.41 1vha s ILE 97 Cb -0.13 -2.76 0.07 0.00 0.01 0.00 0.00 42.46 39.65 1vha s ILE 97 CO -0.07 0.55 -0.05 -0.89 0.00 0.00 0.00 174.94 174.48 1vha s THR 98 N -0.34 1.94 -0.08 2.92 2.01 0.16 -1.21 115.64 121.04 1vha s THR 98 Ca 0.06 -1.64 -0.24 0.00 0.31 0.00 0.00 61.69 60.19 1vha s THR 98 Cb -0.12 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 1vha s THR 98 CO 0.02 -0.19 0.72 -0.63 -0.69 0.00 0.00 174.62 173.85 1vha s ILE 99 N 1.17 5.02 -0.37 1.82 1.01 -0.11 -0.31 121.20 129.44 1vha s ILE 99 Ca -0.03 1.47 -0.03 0.00 0.00 0.00 0.00 60.65 62.06 1vha s ILE 99 Cb -0.19 -4.06 0.09 0.00 0.01 0.00 0.00 42.46 38.31 1vha s ILE 99 CO -0.07 0.22 0.14 -0.63 0.00 0.00 0.00 174.94 174.60 1vha s ILE 100 N 0.98 3.27 -0.09 2.92 1.01 0.47 -0.51 121.20 129.24 1vha s ILE 100 Ca 0.38 -1.78 -0.22 0.00 0.00 0.00 0.00 60.65 59.02 1vha s ILE 100 Cb -0.18 -3.10 0.05 0.00 0.01 0.00 0.00 42.46 39.24 1vha s ILE 100 CO 0.18 -0.48 0.53 0.00 0.00 0.00 0.00 174.94 175.17 1vha s ALA 101 N 1.20 -1.36 -1.47 9.38 0.00 -0.87 -1.67 121.76 126.98 1vha s ALA 101 Ca 0.04 1.11 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 1vha s ALA 101 Cb -0.22 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.66 1vha s ALA 101 CO -0.03 -0.30 2.38 0.94 0.00 0.00 0.00 175.76 178.75 1vha n GLN 102 N 1.63 3.31 -4.15 0.00 -0.06 -1.24 -4.26 117.38 112.61 1vha n GLN 102 Ca -0.18 -2.70 -0.14 0.00 -2.00 0.00 0.00 57.00 51.98 1vha n GLN 102 Cb 0.56 -3.06 -0.11 0.00 -4.06 0.00 0.00 30.24 23.57 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 2.19 0.99 0.00 1.69 0.00 -1.26 -5.00 121.76 120.37 1vha s ALA 103 Ca 0.52 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1vha s ALA 103 Cb 0.15 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.32 1vha s ALA 103 CO -0.07 -0.06 0.00 -0.35 0.00 0.00 0.00 175.76 175.28 1vha n PRO 104 N 0.65 0.00 -2.72 0.00 -0.04 -1.26 -4.92 135.00 126.70 1vha n PRO 104 Ca -0.17 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.87 1vha n PRO 104 Cb 0.58 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.00 1vha n PRO 104 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1vha s LYS 105 N 0.20 4.54 0.00 0.54 0.00 -1.26 -5.05 119.74 118.71 1vha s LYS 105 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 55.97 57.36 1vha s LYS 105 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 37.83 34.36 1vha s LYS 105 CO 0.00 -0.08 0.00 -2.13 0.00 0.00 0.00 175.35 173.14 1vha n ARG 107 N 4.05 0.00 0.00 1.78 0.63 -1.26 -4.89 116.66 116.97 1vha n ARG 107 Ca 0.06 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 57.02 1vha n ARG 107 Cb 0.51 -0.31 0.14 0.00 0.45 0.00 0.00 32.46 33.24 1vha n ARG 107 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1vha n PRO 108 N 0.00 0.03 0.00 -0.14 -0.02 -1.26 -1.87 135.00 131.74 1vha n PRO 108 Ca 0.00 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1vha n PRO 108 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1vha n PRO 108 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1vha n HIS 109 N -1.42 0.00 0.24 6.00 8.25 -1.26 -4.80 115.22 122.24 1vha n HIS 109 Ca 0.02 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.32 1vha n HIS 109 Cb 0.06 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.10 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 0.14 0.37 -0.41 1.59 1.08 -1.78 -2.83 117.51 115.68 1vha h ILE 110 Ca 0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 1vha h ILE 110 Cb 0.04 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.14 1vha h ILE 110 CO 0.00 0.00 0.28 0.44 -0.69 0.00 0.00 178.15 178.18 1vha h ASP 111 N -0.70 0.21 0.00 1.72 5.19 -1.87 -0.30 116.42 120.67 1vha h ASP 111 Ca -0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1vha h ASP 111 Cb 0.60 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1vha h ASP 111 CO 0.00 0.14 0.00 0.00 -3.12 0.00 0.00 179.24 176.26 1vha n ALA 112 N -2.54 1.93 0.00 3.45 0.00 -1.07 -1.60 120.51 120.68 1vha n ALA 112 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1vha n ALA 112 Cb 0.30 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 0.67 0.00 -0.07 0.00 1.74 -0.13 -2.47 116.66 116.41 1vha n ARG 114 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 1vha n ARG 114 Cb 0.21 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.65 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 0.25 -0.60 7.54 0.00 -1.57 0.33 119.26 125.22 1vha h ALA 115 Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1vha h ALA 115 Cb 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1vha h ALA 115 CO 0.00 -0.39 0.16 0.87 0.00 0.00 0.00 179.25 179.89 1vha h LYS 116 N 0.12 0.91 -0.17 0.00 1.57 -1.76 -0.03 116.57 117.21 1vha h LYS 116 Ca 0.12 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1vha h LYS 116 Cb 0.14 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1vha h LYS 116 CO -0.18 0.81 -0.14 0.82 -0.57 0.00 0.00 179.45 180.19 1vha h ILE 117 N 0.88 1.33 -0.90 1.86 2.04 -1.73 -2.07 117.51 118.93 1vha h ILE 117 Ca 0.19 -1.27 0.06 0.00 1.00 0.00 0.00 64.86 64.85 1vha h ILE 117 Cb 0.29 1.80 -0.06 0.00 -0.74 0.00 0.00 36.82 38.11 1vha h ILE 117 CO -0.00 0.38 0.59 0.00 0.00 0.00 0.00 178.15 179.11 1vha h ALA 118 N 0.64 1.50 0.81 1.87 0.00 -0.06 -1.09 119.26 122.92 1vha h ALA 118 Ca 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1vha h ALA 118 Cb 0.66 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1vha h ALA 118 CO 0.04 0.37 -0.39 1.49 0.00 0.00 0.00 179.25 180.76 1vha h GLU 119 N 1.04 -1.05 0.00 0.00 4.81 -0.84 -1.25 114.58 117.29 1vha h GLU 119 Ca 0.39 0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.69 1vha h GLU 119 Cb 0.17 0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1vha h GLU 119 CO -0.14 -0.70 -0.00 -0.44 -0.73 0.00 0.00 179.01 177.00 1vha h ASP 120 N -1.19 0.00 -0.35 1.04 3.32 -1.17 -0.66 116.42 117.42 1vha h ASP 120 Ca -0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1vha h ASP 120 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1vha h ASP 120 CO 0.18 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.89 1vha n LEU 121 N -3.17 3.42 -3.98 1.55 4.77 -0.43 -4.71 117.00 114.45 1vha n LEU 121 Ca -0.03 -1.43 -0.28 0.00 -0.03 0.00 0.00 56.01 54.24 1vha n LEU 121 Cb 0.11 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1vha n LEU 121 CO 0.22 0.72 -0.24 0.00 -1.33 0.00 0.00 177.39 176.75 1vha n GLN 122 N 1.48 -2.48 -2.86 3.23 6.02 -0.26 -4.76 117.38 117.76 1vha n GLN 122 Ca 0.19 0.34 -0.08 0.00 -0.01 0.00 0.00 57.00 57.45 1vha n GLN 122 Cb 0.61 -4.21 -0.03 0.00 1.02 0.00 0.00 30.24 27.63 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 -1.91 7.02 0.00 0.00 -1.08 -1.26 -4.58 116.67 114.85 1vha s ASP 124 Ca 0.15 1.26 0.09 0.00 -0.52 0.00 0.00 52.55 53.53 1vha s ASP 124 Cb 0.01 -2.36 0.42 0.00 -1.46 0.00 0.00 42.92 39.53 1vha s ASP 124 CO 0.11 0.18 1.21 0.00 0.52 0.00 0.00 175.17 177.19 1vha n ILE 125 N 1.28 1.05 0.96 4.11 3.06 -1.26 -0.81 119.36 127.76 1vha n ILE 125 Ca -0.07 0.26 0.13 0.00 -2.50 0.00 0.00 62.75 60.57 1vha n ILE 125 Cb 0.51 -1.11 0.44 0.00 0.54 0.00 0.00 39.64 40.02 1vha n ILE 125 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1vha n GLU 126 N -1.37 0.03 -0.27 9.51 0.00 -1.26 -2.96 120.64 124.31 1vha n GLU 126 Ca 0.03 0.01 0.10 0.00 0.00 0.00 0.00 57.16 57.31 1vha n GLU 126 Cb 0.08 -1.52 0.25 0.00 0.00 0.00 0.00 31.44 30.25 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 -1.56 2.64 -3.95 5.31 6.02 0.01 -4.88 117.38 120.97 1vha n GLN 127 Ca 0.06 -2.38 -0.28 0.00 -0.01 0.00 0.00 57.00 54.39 1vha n GLN 127 Cb 0.35 -1.47 -0.17 0.00 1.02 0.00 0.00 30.24 29.97 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 -1.09 1.29 0.04 5.09 1.01 -1.15 -0.28 120.40 125.29 1vha s VAL 128 Ca 0.39 -0.53 0.09 0.00 0.00 0.00 0.00 61.98 61.93 1vha s VAL 128 Cb 0.21 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1vha s VAL 128 CO 0.28 0.34 -0.25 0.21 0.00 0.00 0.00 175.10 175.68 1vha s ASN 129 N 1.59 2.99 -0.05 3.32 2.47 -0.67 -4.95 114.94 119.65 1vha s ASN 129 Ca 0.04 -0.56 -0.02 0.00 0.42 0.00 0.00 52.86 52.74 1vha s ASN 129 Cb -0.13 -0.28 0.03 0.00 -1.45 0.00 0.00 41.25 39.42 1vha s ASN 129 CO -0.09 0.25 0.11 -0.69 -3.72 0.00 0.00 177.10 172.96 1vha s VAL 130 N -0.77 -0.04 0.07 -5.21 1.01 -1.26 -1.25 120.40 112.95 1vha s VAL 130 Ca 0.11 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.25 1vha s VAL 130 Cb -0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1vha s VAL 130 CO 0.02 0.06 -0.06 -1.59 0.00 0.00 0.00 175.10 173.53 1vha s LYS 131 N 0.95 0.70 -0.03 2.72 -2.85 -0.35 -4.97 119.74 115.91 1vha s LYS 131 Ca -0.07 -1.18 0.03 0.00 -1.00 0.00 0.00 55.97 53.75 1vha s LYS 131 Cb -0.10 -0.09 -0.00 0.00 -2.06 0.00 0.00 37.83 35.57 1vha s LYS 131 CO -0.04 -0.03 -0.12 0.00 0.10 0.00 0.00 175.35 175.25 1vha s ALA 132 N -3.24 1.08 0.19 0.59 0.00 -1.26 -0.93 121.76 118.19 1vha s ALA 132 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1vha s ALA 132 Cb 0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1vha s ALA 132 CO -0.05 0.20 0.08 -0.08 0.00 0.00 0.00 175.76 175.91 1vha s THR 133 N 0.04 0.29 0.38 0.00 -1.32 0.33 -4.94 115.64 110.42 1vha s THR 133 Ca -0.01 -1.97 0.07 0.00 -1.21 0.00 0.00 61.69 58.56 1vha s THR 133 Cb -0.08 -2.35 -0.07 0.00 -1.51 0.00 0.00 72.50 68.48 1vha s THR 133 CO 0.01 -0.21 0.00 0.42 -2.21 0.00 0.00 174.62 172.63 1vha s THR 134 N -3.94 1.85 -0.29 5.08 -4.23 -1.26 -2.06 115.64 110.79 1vha s THR 134 Ca 0.32 -2.03 0.11 0.00 -1.18 0.00 0.00 61.69 58.91 1vha s THR 134 Cb 0.07 -2.90 0.63 0.00 1.34 0.00 0.00 72.50 71.64 1vha s THR 134 CO 0.08 -0.04 1.64 0.35 -0.54 0.00 0.00 174.62 176.12 1vha n THR 135 N -0.88 2.72 -4.07 3.99 -2.24 -1.26 -4.95 114.28 107.59 1vha n THR 135 Ca -0.04 -2.01 -0.28 0.00 -2.27 0.00 0.00 64.05 59.45 1vha n THR 135 Cb 0.66 -0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.59 -2.67 -0.91 -0.78 1.02 -1.26 -0.97 120.64 114.49 1vha n GLU 136 Ca 0.36 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 1vha n GLU 136 Cb 1.21 -4.33 0.00 0.00 -0.02 0.00 0.00 31.44 28.30 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 -4.44 -0.13 -3.64 3.49 4.76 -1.26 -5.02 118.16 111.92 1vha n LYS 137 Ca -0.29 0.03 -0.27 0.00 -2.87 0.00 0.00 58.31 54.91 1vha n LYS 137 Cb 0.68 -3.12 -0.03 0.00 -1.84 0.00 0.00 35.03 30.72 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 4.19 0.00 -0.35 1.43 -0.14 -4.09 118.68 119.72 1vha s LEU 138 Ca 0.00 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1vha s LEU 138 Cb 0.00 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 43.01 1vha s LEU 138 CO 0.00 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.11 1vha n GLY 139 N -0.79 -2.05 0.25 -3.19 0.00 -1.26 -1.56 105.19 96.60 1vha n GLY 139 Ca -0.04 -1.33 0.09 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 -0.67 0.00 0.03 1.61 -5.15 -1.95 0.11 116.94 110.91 1vha h PHE 140 Ca 0.01 0.00 -0.23 0.00 -0.20 0.00 0.00 57.97 57.55 1vha h PHE 140 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.84 1vha h PHE 140 CO 0.00 0.11 -1.00 1.79 -2.00 0.00 0.00 178.31 177.21 1vha h THR 141 N 0.00 1.43 -0.36 0.88 1.35 -1.74 0.28 112.91 114.75 1vha h THR 141 Ca -0.00 -2.59 -0.10 0.00 -0.55 0.00 0.00 66.41 63.17 1vha h THR 141 Cb 0.21 2.53 -0.02 0.00 -1.73 0.00 0.00 68.15 69.15 1vha h THR 141 CO 0.01 0.77 -0.18 1.23 -0.25 0.00 0.00 175.52 177.11 1vha h GLY 142 N 1.37 0.73 1.02 5.82 0.00 -0.16 -1.41 103.07 110.44 1vha h GLY 142 Ca -0.09 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.67 1vha h GLY 142 CO 0.17 0.53 -0.02 0.54 0.00 0.00 0.00 176.54 177.75 1vha n ARG 143 N -4.14 0.83 -3.09 4.80 1.74 0.24 -4.54 116.66 112.50 1vha n ARG 143 Ca 0.01 -0.12 -0.17 0.00 -0.77 0.00 0.00 57.85 56.80 1vha n ARG 143 Cb 0.39 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.38 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 -0.98 -4.84 0.08 5.56 6.02 -0.53 -4.90 117.38 117.79 1vha n GLN 144 Ca 0.19 0.62 0.12 0.00 -0.01 0.00 0.00 57.00 57.92 1vha n GLN 144 Cb 0.20 -4.95 0.11 0.00 1.02 0.00 0.00 30.24 26.62 1vha n GLN 144 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1vha h GLU 145 N -1.56 0.00 0.00 -1.09 5.08 -1.18 -3.48 114.58 112.35 1vha h GLU 145 Ca -0.40 0.00 0.38 0.00 -1.00 0.00 0.00 59.36 58.34 1vha h GLU 145 Cb 1.26 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.44 1vha h GLU 145 CO 0.40 0.00 0.93 0.41 -1.00 0.00 0.00 179.01 179.76 1vha n GLY 146 N 1.28 0.11 3.33 -3.84 0.00 -1.23 -1.19 105.19 103.65 1vha n GLY 146 Ca 0.02 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.00 1.75 0.19 -0.61 -4.36 -0.60 -4.24 121.20 111.33 1vha s ILE 147 Ca 0.30 -2.03 0.01 0.00 -0.26 0.00 0.00 60.65 58.67 1vha s ILE 147 Cb -0.00 -1.91 -0.05 0.00 1.25 0.00 0.00 42.46 41.76 1vha s ILE 147 CO -0.03 -0.45 0.03 0.00 0.24 0.00 0.00 174.94 174.73 1vha s ALA 148 N -2.47 1.40 -0.19 2.27 0.00 -0.67 -0.96 121.76 121.15 1vha s ALA 148 Ca 0.18 -1.65 -0.17 0.00 0.00 0.00 0.00 51.96 50.32 1vha s ALA 148 Cb -0.03 0.70 0.05 0.00 0.00 0.00 0.00 23.12 23.83 1vha s ALA 148 CO 0.07 -0.37 0.51 0.00 0.00 0.00 0.00 175.76 175.97 1vha s GLU 150 N 0.33 2.28 0.01 0.00 2.12 0.58 -1.68 118.70 122.33 1vha s GLU 150 Ca -0.00 -0.84 -0.05 0.00 0.36 0.00 0.00 54.97 54.43 1vha s GLU 150 Cb -0.04 -2.23 -0.00 0.00 0.26 0.00 0.00 34.13 32.12 1vha s GLU 150 CO -0.00 0.58 0.09 0.00 -0.54 0.00 0.00 175.26 175.40 1vha s ALA 151 N -0.74 -0.20 -0.02 6.30 0.00 -0.17 0.40 121.76 127.32 1vha s ALA 151 Ca 0.12 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.84 1vha s ALA 151 Cb -0.10 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.14 1vha s ALA 151 CO 0.01 -0.20 -0.10 0.14 0.00 0.00 0.00 175.76 175.62 1vha s VAL 152 N -1.46 0.80 0.02 0.00 -7.23 -0.95 -0.52 120.40 111.06 1vha s VAL 152 Ca -0.15 -0.39 0.03 0.00 -1.81 0.00 0.00 61.98 59.66 1vha s VAL 152 Cb -0.08 -0.69 -0.01 0.00 0.56 0.00 0.00 36.38 36.15 1vha s VAL 152 CO 0.01 0.24 -0.10 0.00 -0.31 0.00 0.00 175.10 174.94 1vha s ALA 153 N 0.03 0.80 -0.20 1.32 0.00 -0.34 -2.13 121.76 121.24 1vha s ALA 153 Ca -0.00 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1vha s ALA 153 Cb -0.07 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 22.95 1vha s ALA 153 CO 0.00 0.15 -0.17 -1.17 0.00 0.00 0.00 175.76 174.57 1vha s LEU 154 N -0.73 2.43 0.19 0.00 2.96 -0.75 -0.67 118.68 122.11 1vha s LEU 154 Ca 0.00 -0.84 0.03 0.00 -0.22 0.00 0.00 54.13 53.10 1vha s LEU 154 Cb -0.06 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 1vha s LEU 154 CO 0.00 -0.06 0.33 -0.76 -1.32 0.00 0.00 176.35 174.54 1vha s LEU 155 N 1.27 4.31 0.01 -0.68 1.43 0.36 0.02 118.68 125.39 1vha s LEU 155 Ca 0.01 0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.23 1vha s LEU 155 Cb -0.15 -2.94 -0.00 0.00 0.03 0.00 0.00 46.19 43.13 1vha s LEU 155 CO -0.11 -0.01 0.11 -0.63 0.23 0.00 0.00 176.35 175.95 1vha s ILE 156 N -1.84 0.10 0.46 -0.59 1.01 0.33 -2.02 121.20 118.64 1vha s ILE 156 Ca 0.35 -0.79 -0.24 0.00 0.00 0.00 0.00 60.65 59.97 1vha s ILE 156 Cb -0.10 -0.48 -0.07 0.00 0.01 0.00 0.00 42.46 41.81 1vha s ILE 156 CO 0.29 -0.43 1.31 -0.13 0.00 0.00 0.00 174.94 175.98 1vha s ARG 157 N -1.59 3.65 0.00 2.79 1.81 -1.19 0.12 118.95 124.54 1vha s ARG 157 Ca -0.13 2.14 0.00 0.00 -1.72 0.00 0.00 55.73 56.02 1vha s ARG 157 Cb -0.07 -2.53 0.00 0.00 -0.45 0.00 0.00 34.95 31.90 1vha s ARG 157 CO 0.00 -0.75 0.43 0.94 -0.68 0.00 0.00 175.30 175.24