#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 0.77 -3.80 1.04 -0.00 -1.26 -4.86 117.00 108.88 1vha n LEU 1 Ca 0.00 -0.67 -0.20 0.00 -0.00 0.00 0.00 56.01 55.14 1vha n LEU 1 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.25 1vha n LEU 1 CO 0.00 0.16 -0.38 -0.51 -0.00 0.00 0.00 177.39 176.66 1vha s ILE 2 N -1.30 0.29 0.06 1.47 2.07 -1.26 0.16 121.20 122.70 1vha s ILE 2 Ca 0.05 0.09 0.07 0.00 -1.41 0.00 0.00 60.65 59.45 1vha s ILE 2 Cb 0.06 -0.41 -0.03 0.00 0.13 0.00 0.00 42.46 42.21 1vha s ILE 2 CO 0.22 0.20 -0.20 -0.13 -1.91 0.00 0.00 174.94 173.12 1vha s ARG 3 N 1.42 1.24 0.08 3.50 1.81 0.11 -4.97 118.95 122.14 1vha s ARG 3 Ca -0.04 -1.00 0.08 0.00 -1.72 0.00 0.00 55.73 53.06 1vha s ARG 3 Cb -0.13 -1.39 -0.04 0.00 -0.45 0.00 0.00 34.95 32.94 1vha s ARG 3 CO -0.03 0.34 -0.20 -1.50 -0.68 0.00 0.00 175.30 173.24 1vha s ILE 4 N -0.94 2.68 0.07 1.52 2.07 -1.26 0.30 121.20 125.65 1vha s ILE 4 Ca 0.06 -1.38 -0.11 0.00 -1.41 0.00 0.00 60.65 57.81 1vha s ILE 4 Cb -0.09 -2.16 0.01 0.00 0.13 0.00 0.00 42.46 40.34 1vha s ILE 4 CO 0.03 0.23 0.25 -0.83 -1.91 0.00 0.00 174.94 172.71 1vha s GLY 5 N -1.74 -0.03 0.02 1.50 0.00 0.40 -3.90 107.32 103.57 1vha s GLY 5 Ca 0.15 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.57 1vha s GLY 5 CO 0.07 -0.52 -0.04 -1.58 0.00 0.00 0.00 173.10 171.03 1vha s HIS 6 N -3.30 0.35 0.02 1.90 5.04 -1.25 -0.87 115.29 117.17 1vha s HIS 6 Ca 0.00 -0.34 -0.01 0.00 -1.54 0.00 0.00 55.06 53.17 1vha s HIS 6 Cb 0.02 -0.22 -0.02 0.00 0.04 0.00 0.00 32.58 32.40 1vha s HIS 6 CO -0.08 -0.09 -0.02 0.20 -2.34 0.00 0.00 174.74 172.41 1vha s GLY 7 N -0.98 0.22 -0.05 1.59 0.00 0.55 -3.65 107.32 104.99 1vha s GLY 7 Ca -0.08 -0.54 -0.04 0.00 0.00 0.00 0.00 44.72 44.06 1vha s GLY 7 CO -0.00 -0.61 0.14 -0.12 0.00 0.00 0.00 173.10 172.50 1vha s PHE 8 N -1.42 -0.15 0.02 1.90 5.36 -1.26 -0.16 117.98 122.27 1vha s PHE 8 Ca -0.16 0.39 -0.15 0.00 -0.96 0.00 0.00 56.93 56.06 1vha s PHE 8 Cb -0.10 0.02 0.02 0.00 -0.34 0.00 0.00 43.02 42.62 1vha s PHE 8 CO -0.01 -0.09 0.31 0.34 -1.46 0.00 0.00 175.22 174.31 1vha s ASP 9 N 0.35 -0.16 0.01 6.13 2.15 -0.42 -4.78 116.67 119.94 1vha s ASP 9 Ca -0.02 -0.05 0.01 0.00 0.43 0.00 0.00 52.55 52.92 1vha s ASP 9 Cb -0.04 0.34 -0.01 0.00 -0.30 0.00 0.00 42.92 42.92 1vha s ASP 9 CO -0.01 -0.54 -0.04 -0.69 -0.17 0.00 0.00 175.17 173.71 1vha s VAL 10 N -1.98 0.30 -0.12 1.11 1.01 -1.26 -1.29 120.40 118.17 1vha s VAL 10 Ca -0.09 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1vha s VAL 10 Cb -0.03 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 36.07 1vha s VAL 10 CO 0.00 -0.05 -0.13 -2.28 0.00 0.00 0.00 175.10 172.64 1vha s HIS 11 N -0.43 1.91 -0.07 5.22 2.46 -0.47 -5.00 115.29 118.90 1vha s HIS 11 Ca -0.02 -0.98 -0.15 0.00 0.47 0.00 0.00 55.06 54.38 1vha s HIS 11 Cb -0.04 -1.43 -0.05 0.00 -0.13 0.00 0.00 32.58 30.93 1vha s HIS 11 CO -0.00 -0.56 0.37 0.00 -2.47 0.00 0.00 174.74 172.08 1vha s ALA 12 N 1.36 3.64 0.38 1.58 0.00 -1.26 -1.51 121.76 125.95 1vha s ALA 12 Ca 0.01 -0.31 -0.27 0.00 0.00 0.00 0.00 51.96 51.40 1vha s ALA 12 Cb -0.13 -2.40 -0.09 0.00 0.00 0.00 0.00 23.12 20.49 1vha s ALA 12 CO -0.07 0.30 1.24 -0.06 0.00 0.00 0.00 175.76 177.17 1vha s PHE 13 N -0.35 3.01 0.11 0.00 0.08 -0.66 -4.75 117.98 115.43 1vha s PHE 13 Ca 0.22 1.49 -0.09 0.00 0.12 0.00 0.00 56.93 58.66 1vha s PHE 13 Cb -0.15 -3.54 0.00 0.00 -0.57 0.00 0.00 43.02 38.76 1vha s PHE 13 CO 0.10 -1.65 0.23 0.20 -0.10 0.00 0.00 175.22 174.00 1vha s GLY 14 N -0.84 0.14 0.08 4.36 0.00 -1.26 -4.48 107.32 105.32 1vha s GLY 14 Ca 0.54 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 44.65 1vha s GLY 14 CO 0.45 -0.76 -0.06 -1.83 0.00 0.00 0.00 173.10 170.90 1vha s GLU 15 N -3.88 0.74 0.14 2.90 1.03 -0.33 -4.96 118.70 114.35 1vha s GLU 15 Ca 0.07 -1.20 0.10 0.00 0.03 0.00 0.00 54.97 53.97 1vha s GLU 15 Cb 0.04 -0.17 -0.04 0.00 -0.80 0.00 0.00 34.13 33.16 1vha s GLU 15 CO -0.09 -0.02 -0.20 -0.51 -1.33 0.00 0.00 175.26 173.12 1vha s ASP 16 N -2.74 3.72 -0.14 0.83 1.11 -1.26 -0.11 116.67 118.08 1vha s ASP 16 Ca 0.07 -0.67 -0.20 0.00 0.18 0.00 0.00 52.55 51.93 1vha s ASP 16 Cb 0.03 -0.44 0.05 0.00 1.07 0.00 0.00 42.92 43.63 1vha s ASP 16 CO -0.04 0.16 0.51 0.00 1.18 0.00 0.00 175.17 176.98 1vha s ARG 17 N -2.33 0.69 0.31 8.23 1.70 -0.59 -4.98 118.95 121.98 1vha s ARG 17 Ca 0.19 0.50 -0.26 0.00 -0.47 0.00 0.00 55.73 55.69 1vha s ARG 17 Cb -0.10 0.33 -0.10 0.00 -0.57 0.00 0.00 34.95 34.52 1vha s ARG 17 CO 0.10 -0.13 0.93 -1.25 -1.08 0.00 0.00 175.30 173.86 1vha s PRO 18 N -0.22 4.58 0.01 3.89 0.04 -1.26 -0.97 135.00 141.08 1vha s PRO 18 Ca -0.04 1.31 0.02 0.00 0.04 0.00 0.00 61.00 62.33 1vha s PRO 18 Cb -0.03 -2.85 -0.01 0.00 0.04 0.00 0.00 34.50 31.65 1vha s PRO 18 CO 0.03 0.31 -0.06 -0.51 0.04 0.00 0.00 177.00 176.81 1vha s LEU 19 N -1.96 2.08 -0.33 -3.56 1.43 -0.35 -4.92 118.68 111.06 1vha s LEU 19 Ca 0.49 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 53.26 1vha s LEU 19 Cb -0.19 -0.24 -0.01 0.00 0.03 0.00 0.00 46.19 45.78 1vha s LEU 19 CO 0.24 -0.01 0.19 -0.63 0.23 0.00 0.00 176.35 176.38 1vha s ILE 20 N -0.46 4.83 -0.08 -0.59 1.01 -1.26 0.39 121.20 125.04 1vha s ILE 20 Ca -0.01 -0.41 -0.00 0.00 0.00 0.00 0.00 60.65 60.22 1vha s ILE 20 Cb -0.04 -3.50 0.02 0.00 0.01 0.00 0.00 42.46 38.95 1vha s ILE 20 CO -0.00 -0.00 -0.04 -0.63 0.00 0.00 0.00 174.94 174.26 1vha s ILE 21 N 1.64 0.66 -1.49 2.92 1.01 0.38 -4.78 121.20 121.54 1vha s ILE 21 Ca 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 1vha s ILE 21 Cb -0.17 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.58 1vha s ILE 21 CO 0.08 0.29 0.49 0.61 0.00 0.00 0.00 174.94 176.40 1vha n GLY 22 N 4.71 -0.44 2.55 6.18 0.00 -1.26 -1.99 105.19 114.94 1vha n GLY 22 Ca -0.14 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.41 0.45 3.26 -0.02 0.00 -1.26 -5.00 105.19 101.21 1vha n GLY 23 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.10 1.81 -0.10 1.61 1.01 -0.84 -5.11 120.40 116.68 1vha s VAL 24 Ca 0.00 -1.02 -0.22 0.00 0.00 0.00 0.00 61.98 60.73 1vha s VAL 24 Cb 0.00 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1vha s VAL 24 CO 0.00 0.47 0.67 -0.70 0.00 0.00 0.00 175.10 175.54 1vha s GLU 25 N -0.65 4.39 0.03 2.72 2.12 -1.26 -0.47 118.70 125.58 1vha s GLU 25 Ca 0.09 0.80 0.06 0.00 0.36 0.00 0.00 54.97 56.27 1vha s GLU 25 Cb -0.09 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.81 1vha s GLU 25 CO -0.00 0.01 -0.16 0.14 -0.54 0.00 0.00 175.26 174.70 1vha s VAL 26 N 1.01 1.31 0.26 3.70 -7.23 0.16 -4.94 120.40 114.67 1vha s VAL 26 Ca 0.35 -0.97 -0.28 0.00 -1.81 0.00 0.00 61.98 59.26 1vha s VAL 26 Cb -0.17 -1.14 -0.09 0.00 0.56 0.00 0.00 36.38 35.53 1vha s VAL 26 CO 0.16 0.16 0.93 -2.16 -0.31 0.00 0.00 175.10 173.87 1vha s PRO 27 N -0.95 4.76 -0.12 4.82 0.04 -1.26 -1.22 135.00 141.08 1vha s PRO 27 Ca 0.05 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.52 1vha s PRO 27 Cb -0.08 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.34 1vha s PRO 27 CO 0.01 0.45 -0.16 -0.47 0.04 0.00 0.00 177.00 176.87 1vha s TYR 28 N -1.31 2.06 -0.15 0.56 6.14 -0.14 -4.94 117.35 119.57 1vha s TYR 28 Ca 0.43 -1.00 -0.07 0.00 0.64 0.00 0.00 57.07 57.07 1vha s TYR 28 Cb -0.24 -1.48 -0.04 0.00 0.42 0.00 0.00 41.96 40.62 1vha s TYR 28 CO 0.29 -0.51 0.11 -1.58 0.64 0.00 0.00 175.55 174.50 1vha s HIS 29 N 1.04 3.46 -0.10 4.97 5.65 -1.26 -1.54 115.29 127.51 1vha s HIS 29 Ca -0.05 0.38 0.02 0.00 0.25 0.00 0.00 55.06 55.66 1vha s HIS 29 Cb -0.15 -2.01 -0.02 0.00 -1.18 0.00 0.00 32.58 29.23 1vha s HIS 29 CO -0.03 0.51 -0.15 0.99 -0.65 0.00 0.00 174.74 175.41 1vha s THR 30 N -0.44 2.88 0.00 0.89 2.01 0.85 -4.98 115.64 116.85 1vha s THR 30 Ca 0.11 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.37 1vha s THR 30 Cb -0.12 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 70.22 1vha s THR 30 CO 0.02 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 1vha n GLY 31 N 3.23 -3.16 3.65 4.40 0.00 -1.26 -1.18 105.19 110.86 1vha n GLY 31 Ca -0.18 -1.97 -0.44 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.14 1.82 -2.77 1.61 -0.00 -1.26 -4.90 117.46 111.82 1vha n PHE 32 Ca 0.00 0.60 -0.42 0.00 -0.00 0.00 0.00 57.45 57.63 1vha n PHE 32 Cb 0.00 -2.35 -0.03 0.00 -0.00 0.00 0.00 39.48 37.10 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 -0.88 4.77 0.32 -2.13 1.01 -1.26 -4.75 121.20 118.28 1vha s ILE 33 Ca 0.59 1.83 -0.23 0.00 0.00 0.00 0.00 60.65 62.85 1vha s ILE 33 Cb -0.65 -4.23 -0.10 0.00 0.01 0.00 0.00 42.46 37.50 1vha s ILE 33 CO 0.59 -0.09 0.87 0.00 0.00 0.00 0.00 174.94 176.32 1vha s ALA 34 N 2.75 3.24 -0.16 9.38 0.00 -1.26 -4.96 121.76 130.75 1vha s ALA 34 Ca 0.41 0.38 0.18 0.00 0.00 0.00 0.00 51.96 52.93 1vha s ALA 34 Cb -0.16 -3.06 0.45 0.00 0.00 0.00 0.00 23.12 20.35 1vha s ALA 34 CO 0.09 0.22 1.18 0.72 0.00 0.00 0.00 175.76 177.97 1vha n HIS 35 N 0.33 0.67 -3.90 0.00 8.25 -1.26 -5.06 115.22 114.25 1vha n HIS 35 Ca 0.02 -1.38 0.00 0.00 -0.26 0.00 0.00 57.72 56.10 1vha n HIS 35 Cb 0.51 -0.23 0.01 0.00 1.12 0.00 0.00 29.99 31.41 1vha n HIS 35 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1vha s SER 36 N -2.96 -0.01 0.00 0.41 1.04 -1.26 -4.61 113.70 106.30 1vha s SER 36 Ca 0.37 -0.35 0.23 0.00 0.48 0.00 0.00 55.95 56.68 1vha s SER 36 Cb 0.37 0.27 1.16 0.00 0.10 0.00 0.00 66.02 67.93 1vha s SER 36 CO -0.08 -0.53 1.77 -0.90 0.98 0.00 0.00 173.24 174.47 1vha n ASP 37 N -1.02 0.00 -0.05 7.02 5.68 -0.86 -4.87 116.55 122.45 1vha n ASP 37 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.28 1vha n ASP 37 Cb 0.59 -0.30 -0.00 0.00 -1.14 0.00 0.00 41.12 40.27 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 0.72 0.45 3.56 6.12 0.00 -1.26 -4.96 105.19 109.82 1vha n GLY 38 Ca 0.11 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.76 5.60 0.36 1.61 3.68 -1.26 -4.81 116.67 119.09 1vha s ASP 39 Ca 0.00 -0.56 0.10 0.00 2.13 0.00 0.00 52.55 54.21 1vha s ASP 39 Cb 0.00 -2.55 0.68 0.00 -1.45 0.00 0.00 42.92 39.59 1vha s ASP 39 CO 0.00 -2.26 1.83 1.62 0.13 0.00 0.00 175.17 176.49 1vha h VAL 40 N 6.90 1.24 -0.17 1.11 3.04 -1.93 -2.09 116.25 124.35 1vha h VAL 40 Ca -0.02 -1.13 -0.06 0.00 -1.01 0.00 0.00 66.70 64.48 1vha h VAL 40 Cb 1.05 1.49 -0.00 0.00 -2.01 0.00 0.00 31.29 31.82 1vha h VAL 40 CO 1.27 0.34 -0.14 0.00 -1.01 0.00 0.00 177.57 178.03 1vha h ALA 41 N 1.57 0.24 -0.15 3.17 0.00 -1.91 -2.20 119.26 119.98 1vha h ALA 41 Ca 0.02 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1vha h ALA 41 Cb 0.58 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1vha h ALA 41 CO 0.04 0.12 -0.60 -0.07 0.00 0.00 0.00 179.25 178.74 1vha h LEU 42 N 0.04 0.57 -0.15 0.00 3.38 -1.94 -1.76 115.31 115.45 1vha h LEU 42 Ca 0.03 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1vha h LEU 42 Cb 0.66 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1vha h LEU 42 CO 0.04 1.04 0.07 0.45 0.09 0.00 0.00 178.44 180.13 1vha h HIS 43 N 0.38 0.21 -0.76 1.13 3.86 -1.40 0.10 115.15 118.66 1vha h HIS 43 Ca -0.00 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1vha h HIS 43 Cb 1.15 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 29.52 1vha h HIS 43 CO 0.04 0.24 0.32 0.00 0.86 0.00 0.00 177.93 179.39 1vha h ALA 44 N 0.95 0.99 -0.80 2.45 0.00 -1.37 -0.99 119.26 120.49 1vha h ALA 44 Ca 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1vha h ALA 44 Cb 0.10 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1vha h ALA 44 CO -0.01 0.60 0.36 1.25 0.00 0.00 0.00 179.25 181.44 1vha h LEU 45 N 1.09 1.07 -0.12 0.00 5.85 -1.09 -0.76 115.31 121.36 1vha h LEU 45 Ca 0.26 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1vha h LEU 45 Cb 0.19 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1vha h LEU 45 CO -0.02 0.93 0.06 0.74 -0.34 0.00 0.00 178.44 179.81 1vha h THR 46 N 1.15 1.11 -0.89 1.05 2.02 -0.22 -1.49 112.91 115.64 1vha h THR 46 Ca 0.27 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 67.18 1vha h THR 46 Cb 0.16 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 1vha h THR 46 CO -0.03 0.09 0.58 0.44 0.37 0.00 0.00 175.52 176.97 1vha h ASP 47 N 0.08 0.97 -0.52 4.18 3.32 -0.85 0.45 116.42 124.06 1vha h ASP 47 Ca 0.04 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1vha h ASP 47 Cb 0.10 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1vha h ASP 47 CO -0.01 0.68 0.26 0.00 -1.72 0.00 0.00 179.24 178.46 1vha h ALA 48 N 1.35 0.66 -0.16 3.45 0.00 -0.85 0.88 119.26 124.59 1vha h ALA 48 Ca 0.34 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1vha h ALA 48 Cb -0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1vha h ALA 48 CO -0.10 0.21 -0.10 0.82 0.00 0.00 0.00 179.25 180.07 1vha h ILE 49 N 0.69 1.32 -0.76 0.00 2.04 -0.91 -0.49 117.51 119.41 1vha h ILE 49 Ca 0.18 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.82 1vha h ILE 49 Cb 0.09 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1vha h ILE 49 CO -0.03 0.35 0.35 -0.07 0.00 0.00 0.00 178.15 178.75 1vha h LEU 50 N 0.01 1.01 -0.63 1.44 3.38 -0.80 -2.95 115.31 116.76 1vha h LEU 50 Ca 0.03 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1vha h LEU 50 Cb 0.60 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1vha h LEU 50 CO 0.03 0.87 0.38 1.23 0.09 0.00 0.00 178.44 181.04 1vha h GLY 51 N 1.07 0.92 1.91 0.83 0.00 0.95 -0.24 103.07 108.51 1vha h GLY 51 Ca 0.26 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1vha h GLY 51 CO -0.03 0.37 -0.03 0.00 0.00 0.00 0.00 176.54 176.85 1vha h ALA 52 N 1.20 1.79 -0.20 3.60 0.00 -0.92 -1.83 119.26 122.90 1vha h ALA 52 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1vha h ALA 52 Cb -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1vha h ALA 52 CO -0.04 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1vha n ALA 53 N -2.51 2.50 -3.18 0.00 0.00 -1.00 -4.51 120.51 111.81 1vha n ALA 53 Ca -0.02 -0.64 -0.21 0.00 0.00 0.00 0.00 53.44 52.58 1vha n ALA 53 Cb 0.16 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.63 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 0.65 -1.01 -0.81 0.00 0.00 -0.69 -4.89 120.51 113.76 1vha n ALA 54 Ca 0.17 0.31 0.08 0.00 0.00 0.00 0.00 53.44 54.00 1vha n ALA 54 Cb 0.41 -4.22 0.39 0.00 0.00 0.00 0.00 19.45 16.03 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 -4.06 5.36 0.00 0.00 4.77 -0.14 -5.03 117.00 117.89 1vha n LEU 55 Ca -0.06 -2.76 0.00 0.00 -0.03 0.00 0.00 56.01 53.17 1vha n LEU 55 Cb 0.59 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1vha n LEU 55 CO 0.50 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.87 1vha n GLY 56 N 0.78 1.46 2.45 -0.72 0.00 -1.26 -4.89 105.19 103.01 1vha n GLY 56 Ca 0.27 -0.65 -0.03 0.00 0.00 0.00 0.00 46.02 45.61 1vha n GLY 56 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vha n ASP 57 N 5.35 -1.26 -0.20 1.61 5.68 -1.26 -4.13 116.55 122.34 1vha n ASP 57 Ca 0.00 -1.76 0.22 0.00 -0.50 0.00 0.00 54.79 52.76 1vha n ASP 57 Cb 0.00 2.07 0.60 0.00 -1.14 0.00 0.00 41.12 42.65 1vha n ASP 57 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1vha h ILE 58 N 1.63 0.64 0.00 2.12 6.09 -1.91 0.30 117.51 126.38 1vha h ILE 58 Ca -0.19 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.22 1vha h ILE 58 Cb 0.78 0.38 0.00 0.00 0.47 0.00 0.00 36.82 38.45 1vha h ILE 58 CO 0.25 0.04 0.00 1.23 -3.07 0.00 0.00 178.15 176.60 1vha h GLY 59 N 0.24 0.00 -3.55 8.18 0.00 -1.98 -2.84 103.07 103.12 1vha h GLY 59 Ca 0.44 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.42 1vha h GLY 59 CO -0.11 0.00 0.41 0.28 0.00 0.00 0.00 176.54 177.12 1vha n LYS 60 N -2.67 2.72 0.00 4.80 5.02 0.10 -4.69 118.16 123.43 1vha n LYS 60 Ca 0.00 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.24 1vha n LYS 60 Cb 0.22 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 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 -0.79 0.83 -4.38 -0.35 4.77 -1.07 -4.88 117.00 111.13 1vha n LEU 61 Ca 0.49 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 56.02 1vha n LEU 61 Cb 1.47 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.51 1vha n LEU 61 CO 0.48 0.00 0.29 -0.36 -1.33 0.00 0.00 177.39 176.47 1vha s PHE 62 N 0.00 3.09 0.00 -1.77 0.08 -1.26 -5.19 117.98 112.93 1vha s PHE 62 Ca 0.00 -0.94 0.00 0.00 0.12 0.00 0.00 56.93 56.11 1vha s PHE 62 Cb 0.00 -3.78 0.00 0.00 -0.57 0.00 0.00 43.02 38.67 1vha s PHE 62 CO 0.00 -1.13 1.15 -0.35 -0.10 0.00 0.00 175.22 174.79 1vha n PRO 63 N 5.94 0.96 0.00 0.24 -0.04 -1.26 -5.11 135.00 135.73 1vha n PRO 63 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1vha n PRO 63 Cb 0.43 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 0.73 0.00 -0.02 3.54 4.05 -1.26 -5.25 115.26 117.05 1vha n ASN 71 Ca 0.00 0.00 -0.16 0.00 0.45 0.00 0.00 54.58 54.87 1vha n ASN 71 Cb 0.48 0.09 -0.14 0.00 1.23 0.00 0.00 39.78 41.44 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 -1.54 1.17 -2.15 5.20 0.00 -1.26 -4.82 120.51 117.11 1vha n ALA 72 Ca 0.00 -0.72 -0.43 0.00 0.00 0.00 0.00 53.44 52.29 1vha n ALA 72 Cb 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 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 -6.59 6.44 0.46 0.00 -1.08 -1.26 -2.02 116.67 112.61 1vha s ASP 73 Ca -0.16 1.59 0.20 0.00 -0.52 0.00 0.00 52.55 53.66 1vha s ASP 73 Cb 0.07 -2.53 1.12 0.00 -1.46 0.00 0.00 42.92 40.12 1vha s ASP 73 CO 0.78 -1.21 1.98 0.28 0.52 0.00 0.00 175.17 177.52 1vha h SER 74 N 10.46 0.00 -0.15 -0.34 0.02 -1.95 -2.68 113.55 118.91 1vha h SER 74 Ca -0.33 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.55 1vha h SER 74 Cb 1.15 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 1vha h SER 74 CO 1.00 0.20 -0.11 0.03 -1.14 0.00 0.00 176.83 176.81 1vha h ARG 75 N 0.00 0.51 -0.49 3.45 3.08 -1.97 0.06 114.38 119.02 1vha h ARG 75 Ca -0.00 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.83 1vha h ARG 75 Cb 0.42 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1vha h ARG 75 CO 0.03 0.62 0.03 0.78 -1.07 0.00 0.00 179.97 180.35 1vha h GLY 76 N 0.92 0.91 0.98 0.04 0.00 -1.88 -1.30 103.07 102.73 1vha h GLY 76 Ca 0.09 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.74 1vha h GLY 76 CO 0.03 0.60 0.20 1.41 0.00 0.00 0.00 176.54 178.78 1vha h LEU 77 N 0.71 0.73 -0.42 3.11 3.38 -1.41 -1.06 115.31 120.35 1vha h LEU 77 Ca 0.14 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1vha h LEU 77 Cb 0.47 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1vha h LEU 77 CO 0.02 0.71 0.24 0.25 0.09 0.00 0.00 178.44 179.75 1vha h LEU 78 N 0.71 0.39 -0.82 1.67 5.85 -0.78 0.24 115.31 122.57 1vha h LEU 78 Ca 0.17 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 1vha h LEU 78 Cb 0.21 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1vha h LEU 78 CO -0.01 0.28 0.02 0.03 -0.34 0.00 0.00 178.44 178.41 1vha h ARG 79 N 0.49 0.90 -0.41 1.25 3.08 -1.07 -1.07 114.38 117.55 1vha h ARG 79 Ca 0.17 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1vha h ARG 79 Cb 0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1vha h ARG 79 CO -0.08 0.89 0.24 1.49 -1.07 0.00 0.00 179.97 181.43 1vha h GLU 80 N 0.84 0.57 -0.56 0.04 4.57 -0.69 -0.15 114.58 119.20 1vha h GLU 80 Ca 0.16 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1vha h GLU 80 Cb 0.47 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 1vha h GLU 80 CO 0.02 0.44 0.27 0.00 -1.18 0.00 0.00 179.01 178.56 1vha h ALA 81 N 1.10 0.72 -0.47 2.92 0.00 -0.62 -1.94 119.26 120.97 1vha h ALA 81 Ca 0.15 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1vha h ALA 81 Cb 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1vha h ALA 81 CO -0.03 0.28 0.09 0.35 0.00 0.00 0.00 179.25 179.95 1vha h PHE 82 N 0.76 0.81 -0.62 0.00 3.04 -0.90 -1.46 116.94 118.56 1vha h PHE 82 Ca 0.19 -0.11 0.06 0.00 3.98 0.00 0.00 57.97 62.10 1vha h PHE 82 Cb 0.11 -0.22 -0.06 0.00 2.56 0.00 0.00 35.95 38.34 1vha h PHE 82 CO -0.00 0.74 0.32 0.00 -2.02 0.00 0.00 178.31 177.35 1vha h ARG 83 N 0.63 0.56 -0.25 1.11 3.08 -0.81 0.15 114.38 118.85 1vha h ARG 83 Ca 0.14 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1vha h ARG 83 Cb 0.36 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1vha h ARG 83 CO 0.01 0.37 -0.07 1.96 -1.07 0.00 0.00 179.97 181.17 1vha h GLN 84 N 0.58 0.40 0.00 0.04 4.20 -1.11 0.12 115.11 119.34 1vha h GLN 84 Ca 0.29 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.82 1vha h GLN 84 Cb 0.23 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1vha h GLN 84 CO -0.21 0.49 -0.42 0.28 -0.67 0.00 0.00 178.83 178.30 1vha h VAL 85 N 0.38 0.94 -0.05 -0.54 2.07 -0.15 -2.96 116.25 115.94 1vha h VAL 85 Ca 0.08 -1.69 -0.04 0.00 0.82 0.00 0.00 66.70 65.87 1vha h VAL 85 Cb 0.37 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1vha h VAL 85 CO 0.02 0.41 -0.13 1.56 0.02 0.00 0.00 177.57 179.45 1vha h GLN 86 N 0.00 0.18 -1.08 1.57 4.20 0.87 -1.20 115.11 119.65 1vha h GLN 86 Ca -0.00 -0.13 0.29 0.00 0.06 0.00 0.00 58.65 58.87 1vha h GLN 86 Cb 0.99 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.71 1vha h GLN 86 CO 0.05 0.73 0.72 0.93 -0.67 0.00 0.00 178.83 180.59 1vha h GLU 87 N -0.34 0.27 -0.00 1.46 4.39 -0.72 1.85 114.58 121.49 1vha h GLU 87 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1vha h GLU 87 Cb 0.73 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1vha h GLU 87 CO 0.03 0.18 -0.06 1.63 -1.16 0.00 0.00 179.01 179.62 1vha n LYS 88 N -4.51 0.35 -0.22 2.33 5.02 -1.13 -4.92 118.16 115.08 1vha n LYS 88 Ca 0.25 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1vha n LYS 88 Cb 0.99 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 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 1.35 1.07 3.70 0.72 0.00 0.63 -5.03 105.19 107.63 1vha n GLY 89 Ca 0.12 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 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 2.85 0.27 1.61 1.51 -0.47 -0.76 117.35 120.36 1vha s TYR 90 Ca 0.00 -0.17 0.02 0.00 -1.01 0.00 0.00 57.07 55.90 1vha s TYR 90 Cb 0.00 -1.28 -0.04 0.00 -0.11 0.00 0.00 41.96 40.52 1vha s TYR 90 CO 0.00 0.58 0.12 -1.59 -1.11 0.00 0.00 175.55 173.55 1vha s LYS 91 N -3.62 1.48 0.06 -0.62 -2.85 -0.69 -3.97 119.74 109.53 1vha s LYS 91 Ca 0.31 -1.82 -0.30 0.00 -1.00 0.00 0.00 55.97 53.16 1vha s LYS 91 Cb -0.07 -0.17 -0.05 0.00 -2.06 0.00 0.00 37.83 35.48 1vha s LYS 91 CO 0.21 -0.37 0.97 0.42 0.10 0.00 0.00 175.35 176.69 1vha s ILE 92 N -3.72 4.67 -0.09 3.79 1.09 -1.26 -1.83 121.20 123.85 1vha s ILE 92 Ca 0.37 2.07 -0.04 0.00 -1.10 0.00 0.00 60.65 61.95 1vha s ILE 92 Cb 0.07 -4.32 -0.01 0.00 -1.06 0.00 0.00 42.46 37.13 1vha s ILE 92 CO 0.15 0.25 -0.07 1.23 -0.10 0.00 0.00 174.94 176.39 1vha h GLY 93 N 6.14 0.00 -3.80 6.18 0.00 -1.18 -3.44 103.07 106.96 1vha h GLY 93 Ca -0.42 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.06 1vha h GLY 93 CO 0.73 0.00 0.62 0.54 0.00 0.00 0.00 176.54 178.43 1vha s ASN 94 N -5.02 -0.28 0.06 0.19 4.22 -1.08 -4.87 114.94 108.16 1vha s ASN 94 Ca -0.06 0.10 0.03 0.00 -2.14 0.00 0.00 52.86 50.79 1vha s ASN 94 Cb 0.01 0.28 -0.03 0.00 1.28 0.00 0.00 41.25 42.79 1vha s ASN 94 CO 0.09 -0.42 -0.10 0.68 -2.04 0.00 0.00 177.10 175.32 1vha s VAL 95 N -2.35 0.76 -0.06 3.54 -7.23 -0.22 -1.36 120.40 113.47 1vha s VAL 95 Ca 0.05 -1.29 -0.01 0.00 -1.81 0.00 0.00 61.98 58.92 1vha s VAL 95 Cb -0.01 -0.92 0.03 0.00 0.56 0.00 0.00 36.38 36.03 1vha s VAL 95 CO -0.05 -0.41 -0.00 -0.62 -0.31 0.00 0.00 175.10 173.71 1vha s ASP 96 N -1.87 1.31 -0.09 4.85 3.68 -0.72 -1.81 116.67 122.03 1vha s ASP 96 Ca -0.04 -0.08 0.02 0.00 2.13 0.00 0.00 52.55 54.58 1vha s ASP 96 Cb -0.08 -0.40 -0.02 0.00 -1.45 0.00 0.00 42.92 40.97 1vha s ASP 96 CO 0.00 -0.16 -0.13 -0.63 0.13 0.00 0.00 175.17 174.39 1vha s ILE 97 N 1.68 3.14 -0.35 4.11 1.09 0.52 -1.89 121.20 129.51 1vha s ILE 97 Ca 0.00 -0.66 0.02 0.00 -1.10 0.00 0.00 60.65 58.91 1vha s ILE 97 Cb -0.13 -2.28 0.11 0.00 -1.06 0.00 0.00 42.46 39.10 1vha s ILE 97 CO -0.04 0.56 0.10 -0.89 -0.10 0.00 0.00 174.94 174.57 1vha s THR 98 N -0.25 1.67 0.01 2.92 2.01 0.02 -0.73 115.64 121.29 1vha s THR 98 Ca 0.02 -2.06 -0.30 0.00 0.31 0.00 0.00 61.69 59.65 1vha s THR 98 Cb -0.13 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1vha s THR 98 CO 0.03 -0.67 1.11 -0.63 -0.69 0.00 0.00 174.62 173.76 1vha s ILE 99 N 1.05 4.43 -0.35 1.82 1.01 0.65 -1.78 121.20 128.02 1vha s ILE 99 Ca 0.12 1.74 -0.03 0.00 0.00 0.00 0.00 60.65 62.47 1vha s ILE 99 Cb -0.19 -4.11 0.07 0.00 0.01 0.00 0.00 42.46 38.23 1vha s ILE 99 CO -0.13 0.11 0.11 -0.63 0.00 0.00 0.00 174.94 174.39 1vha s ILE 100 N 1.28 3.31 0.01 2.92 1.01 -0.14 -0.18 121.20 129.42 1vha s ILE 100 Ca 0.55 -1.60 -0.18 0.00 0.00 0.00 0.00 60.65 59.42 1vha s ILE 100 Cb -0.25 -3.05 0.03 0.00 0.01 0.00 0.00 42.46 39.21 1vha s ILE 100 CO 0.27 -0.37 0.40 0.00 0.00 0.00 0.00 174.94 175.25 1vha s ALA 101 N 1.25 -1.01 -1.09 9.38 0.00 -0.62 -1.47 121.76 128.20 1vha s ALA 101 Ca 0.01 0.44 -0.04 0.00 0.00 0.00 0.00 51.96 52.36 1vha s ALA 101 Cb -0.21 0.19 0.14 0.00 0.00 0.00 0.00 23.12 23.24 1vha s ALA 101 CO -0.01 -0.36 2.40 0.94 0.00 0.00 0.00 175.76 178.72 1vha n GLN 102 N 0.86 4.18 -4.24 0.00 -0.06 -1.25 -4.04 117.38 112.84 1vha n GLN 102 Ca -0.20 -3.36 -0.18 0.00 -2.00 0.00 0.00 57.00 51.26 1vha n GLN 102 Cb 0.58 -2.50 -0.11 0.00 -4.06 0.00 0.00 30.24 24.15 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 -1.71 1.47 0.00 1.69 0.00 -1.26 -4.98 121.76 116.96 1vha s ALA 103 Ca 0.53 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1vha s ALA 103 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.28 1vha s ALA 103 CO -0.14 0.11 0.00 -0.35 0.00 0.00 0.00 175.76 175.38 1vha n PRO 104 N 0.60 0.00 -1.95 0.00 -0.04 -1.26 -4.93 135.00 127.42 1vha n PRO 104 Ca -0.16 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.89 1vha n PRO 104 Cb 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 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 0.00 4.22 0.00 0.54 0.00 -1.26 -5.09 119.74 118.15 1vha s LYS 105 Ca 0.00 2.39 0.00 0.00 0.00 0.00 0.00 55.97 58.36 1vha s LYS 105 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 37.83 34.77 1vha s LYS 105 CO 0.00 -0.44 0.00 -2.13 0.00 0.00 0.00 175.35 172.78 1vha n ARG 107 N 1.60 0.00 0.30 1.78 0.63 -1.26 -4.95 116.66 114.76 1vha n ARG 107 Ca 0.04 0.00 0.18 0.00 -0.92 0.00 0.00 57.85 57.15 1vha n ARG 107 Cb 0.40 -0.22 0.91 0.00 0.45 0.00 0.00 32.46 34.00 1vha n ARG 107 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1vha h PRO 108 N 0.00 0.00 -0.00 -0.14 0.11 -2.05 -2.68 132.00 127.24 1vha h PRO 108 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1vha h PRO 108 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1vha h PRO 108 CO 0.00 0.04 -0.61 0.72 -0.21 0.00 0.00 178.00 177.94 1vha n HIS 109 N -3.28 0.00 0.00 0.65 8.25 -1.26 -4.68 115.22 114.90 1vha n HIS 109 Ca -0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.35 1vha n HIS 109 Cb 0.19 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.27 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 0.49 0.49 -0.22 1.59 1.08 -1.89 -2.33 117.51 116.72 1vha h ILE 110 Ca 0.00 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.43 1vha h ILE 110 Cb 0.41 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 1vha h ILE 110 CO 0.00 0.00 -0.04 0.44 -0.69 0.00 0.00 178.15 177.86 1vha h ASP 111 N -0.26 0.31 0.00 1.72 3.45 -1.83 0.01 116.42 119.82 1vha h ASP 111 Ca 0.10 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1vha h ASP 111 Cb 0.40 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 1vha h ASP 111 CO -0.28 0.40 0.00 0.00 -1.57 0.00 0.00 179.24 177.79 1vha n ALA 112 N -2.49 1.50 0.00 3.45 0.00 -0.88 -1.05 120.51 121.04 1vha n ALA 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vha n ALA 112 Cb 0.22 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 0.64 0.00 -0.07 0.00 1.74 -0.01 -2.37 116.66 116.59 1vha n ARG 114 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1vha n ARG 114 Cb 0.08 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.50 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 0.35 -0.59 7.54 0.00 -1.37 0.57 119.26 125.76 1vha h ALA 115 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1vha h ALA 115 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1vha h ALA 115 CO 0.00 -0.18 0.11 0.87 0.00 0.00 0.00 179.25 180.05 1vha h LYS 116 N 0.37 0.97 -0.61 0.00 1.57 -1.74 -0.16 116.57 116.97 1vha h LYS 116 Ca 0.10 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 1vha h LYS 116 Cb -0.03 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1vha h LYS 116 CO -0.02 0.91 0.18 0.82 -0.57 0.00 0.00 179.45 180.77 1vha h ILE 117 N 0.87 1.25 -0.63 1.86 2.04 -1.80 -0.56 117.51 120.54 1vha h ILE 117 Ca 0.18 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1vha h ILE 117 Cb 0.40 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1vha h ILE 117 CO 0.01 0.32 0.36 0.00 0.00 0.00 0.00 178.15 178.84 1vha h ALA 118 N 1.06 0.80 -0.38 1.87 0.00 -0.62 -0.18 119.26 121.82 1vha h ALA 118 Ca 0.20 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1vha h ALA 118 Cb 0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1vha h ALA 118 CO -0.00 0.30 0.21 1.49 0.00 0.00 0.00 179.25 181.25 1vha h GLU 119 N 0.86 0.42 -0.05 0.00 4.22 -0.55 -0.71 114.58 118.78 1vha h GLU 119 Ca 0.22 -0.03 -0.12 0.00 0.08 0.00 0.00 59.36 59.51 1vha h GLU 119 Cb 0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1vha h GLU 119 CO -0.04 0.28 -0.54 -0.44 -2.18 0.00 0.00 179.01 176.09 1vha h ASP 120 N 0.44 0.15 -0.48 1.04 3.32 -0.71 -3.00 116.42 117.16 1vha h ASP 120 Ca 0.15 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1vha h ASP 120 Cb 0.02 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1vha h ASP 120 CO -0.08 0.66 0.00 0.18 -1.72 0.00 0.00 179.24 178.28 1vha n LEU 121 N -3.91 2.83 -4.07 1.55 4.77 -0.11 -4.72 117.00 113.33 1vha n LEU 121 Ca -0.02 -1.37 -0.30 0.00 -0.03 0.00 0.00 56.01 54.30 1vha n LEU 121 Cb 0.56 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1vha n LEU 121 CO 0.42 0.69 -0.18 0.00 -1.33 0.00 0.00 177.39 176.99 1vha n GLN 122 N 1.05 -3.11 -3.45 3.23 6.02 -0.33 -4.70 117.38 116.09 1vha n GLN 122 Ca 0.18 0.37 -0.15 0.00 -0.01 0.00 0.00 57.00 57.40 1vha n GLN 122 Cb 0.46 -4.66 -0.05 0.00 1.02 0.00 0.00 30.24 27.01 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 -2.51 6.95 0.65 0.00 2.15 -1.26 -4.56 116.67 118.08 1vha s ASP 124 Ca 0.16 1.40 0.37 0.00 0.43 0.00 0.00 52.55 54.91 1vha s ASP 124 Cb 0.01 -2.42 2.04 0.00 -0.30 0.00 0.00 42.92 42.25 1vha s ASP 124 CO 0.11 -0.09 2.20 -0.29 -0.17 0.00 0.00 175.17 176.94 1vha h ILE 125 N 2.38 0.14 0.00 4.11 2.10 -1.92 0.05 117.51 124.38 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 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.80 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 -3.25 0.02 -0.13 2.19 0.00 -1.26 -2.20 120.64 116.01 1vha n GLU 126 Ca -0.02 0.10 0.12 0.00 0.00 0.00 0.00 57.16 57.36 1vha n GLU 126 Cb 0.20 -1.50 0.23 0.00 0.00 0.00 0.00 31.44 30.37 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 -1.49 2.31 -4.72 5.31 6.02 0.01 -4.88 117.38 119.94 1vha n GLN 127 Ca 0.06 -1.97 -0.32 0.00 -0.01 0.00 0.00 57.00 54.76 1vha n GLN 127 Cb 0.26 -1.48 -0.17 0.00 1.02 0.00 0.00 30.24 29.88 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 -1.66 2.04 -0.03 5.09 1.01 -0.93 -1.05 120.40 124.86 1vha s VAL 128 Ca 0.36 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.41 1vha s VAL 128 Cb 0.21 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1vha s VAL 128 CO 0.31 0.55 -0.19 0.21 0.00 0.00 0.00 175.10 175.98 1vha s ASN 129 N 0.77 2.27 -0.02 3.32 2.47 -0.75 -4.99 114.94 118.01 1vha s ASN 129 Ca -0.08 -0.36 0.02 0.00 0.42 0.00 0.00 52.86 52.85 1vha s ASN 129 Cb -0.16 -0.49 0.01 0.00 -1.45 0.00 0.00 41.25 39.16 1vha s ASN 129 CO -0.01 0.19 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.80 1vha s VAL 130 N -0.17 0.64 0.06 -5.21 1.01 -1.26 -0.35 120.40 115.12 1vha s VAL 130 Ca 0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1vha s VAL 130 Cb -0.10 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1vha s VAL 130 CO 0.01 0.21 0.03 -1.59 0.00 0.00 0.00 175.10 173.76 1vha s LYS 131 N 0.26 0.67 -0.02 2.72 -2.85 0.09 -4.96 119.74 115.64 1vha s LYS 131 Ca -0.04 -1.13 0.02 0.00 -1.00 0.00 0.00 55.97 53.83 1vha s LYS 131 Cb -0.08 0.24 0.01 0.00 -2.06 0.00 0.00 37.83 35.94 1vha s LYS 131 CO 0.00 -0.15 -0.07 0.00 0.10 0.00 0.00 175.35 175.23 1vha s ALA 132 N -3.82 0.68 0.16 0.59 0.00 -1.26 -0.25 121.76 117.86 1vha s ALA 132 Ca 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 51.96 51.80 1vha s ALA 132 Cb 0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1vha s ALA 132 CO -0.10 0.09 0.05 -0.08 0.00 0.00 0.00 175.76 175.73 1vha s THR 133 N 0.29 0.28 0.38 0.00 -1.32 0.75 -4.93 115.64 111.09 1vha s THR 133 Ca -0.04 -1.95 0.08 0.00 -1.21 0.00 0.00 61.69 58.58 1vha s THR 133 Cb -0.08 -2.16 -0.06 0.00 -1.51 0.00 0.00 72.50 68.69 1vha s THR 133 CO 0.00 -0.38 0.04 0.42 -2.21 0.00 0.00 174.62 172.49 1vha s THR 134 N -3.93 2.34 -0.57 5.08 -4.23 -1.26 -1.59 115.64 111.48 1vha s THR 134 Ca 0.27 -1.94 0.16 0.00 -1.18 0.00 0.00 61.69 58.99 1vha s THR 134 Cb 0.07 -2.88 0.66 0.00 1.34 0.00 0.00 72.50 71.70 1vha s THR 134 CO 0.04 -0.10 1.58 0.35 -0.54 0.00 0.00 174.62 175.95 1vha n THR 135 N -1.00 2.18 -3.75 3.99 -2.24 -1.26 -4.95 114.28 107.24 1vha n THR 135 Ca -0.04 -1.44 -0.24 0.00 -2.27 0.00 0.00 64.05 60.06 1vha n THR 135 Cb 0.64 -0.07 0.02 0.00 -2.10 0.00 0.00 70.33 68.82 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 0.46 -3.52 -1.03 -0.78 1.02 -1.26 -1.61 120.64 113.92 1vha n GLU 136 Ca 0.24 0.53 -0.01 0.00 -0.02 0.00 0.00 57.16 57.90 1vha n GLU 136 Cb 0.95 -4.79 -0.01 0.00 -0.02 0.00 0.00 31.44 27.58 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 -4.24 -1.07 -4.08 3.49 4.01 -1.26 -5.01 118.16 110.00 1vha n LYS 137 Ca -0.25 0.34 -0.31 0.00 -0.51 0.00 0.00 58.31 57.58 1vha n LYS 137 Cb 0.66 -4.18 -0.07 0.00 -0.51 0.00 0.00 35.03 30.93 1vha n LYS 137 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1vha s LEU 138 N -0.27 3.79 0.00 -0.35 1.43 -0.63 -4.23 118.68 118.42 1vha s LEU 138 Ca 0.00 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1vha s LEU 138 Cb 0.00 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1vha s LEU 138 CO 0.00 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1vha n GLY 139 N 0.65 -2.12 0.26 -3.19 0.00 -1.26 -1.77 105.19 97.75 1vha n GLY 139 Ca -0.10 -1.40 0.08 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.47 0.00 -0.03 1.61 -5.15 -1.95 0.11 116.94 111.06 1vha h PHE 140 Ca 0.01 0.00 -0.24 0.00 -0.20 0.00 0.00 57.97 57.54 1vha h PHE 140 Cb 0.46 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.64 1vha h PHE 140 CO 0.00 0.02 -0.93 1.79 -2.00 0.00 0.00 178.31 177.19 1vha h THR 141 N 0.00 1.33 -0.39 0.88 1.35 -1.74 0.17 112.91 114.51 1vha h THR 141 Ca -0.00 -2.26 -0.07 0.00 -0.55 0.00 0.00 66.41 63.53 1vha h THR 141 Cb 0.04 2.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 1vha h THR 141 CO 0.00 0.69 -0.03 1.23 -0.25 0.00 0.00 175.52 177.16 1vha h GLY 142 N 0.83 0.70 0.42 5.82 0.00 -0.31 0.02 103.07 110.54 1vha h GLY 142 Ca -0.09 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1vha h GLY 142 CO 0.17 0.42 0.00 0.54 0.00 0.00 0.00 176.54 177.68 1vha n ARG 143 N -4.23 1.22 -3.43 4.80 1.74 0.23 -4.45 116.66 112.54 1vha n ARG 143 Ca 0.02 -0.32 -0.22 0.00 -0.77 0.00 0.00 57.85 56.55 1vha n ARG 143 Cb 0.29 -1.45 0.07 0.00 -1.02 0.00 0.00 32.46 30.35 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 -0.57 -6.93 0.06 5.56 6.02 -0.01 -4.89 117.38 116.63 1vha n GLN 144 Ca 0.20 0.78 0.12 0.00 -0.01 0.00 0.00 57.00 58.09 1vha n GLN 144 Cb 0.18 -5.61 0.17 0.00 1.02 0.00 0.00 30.24 25.99 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 -2.31 0.00 0.00 -1.09 5.08 -0.88 -3.48 114.58 111.90 1vha h GLU 145 Ca -0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1vha h GLU 145 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1vha h GLU 145 CO 0.52 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.94 1vha n GLY 146 N 1.33 -1.24 3.33 -3.84 0.00 -1.22 -1.65 105.19 101.90 1vha n GLY 146 Ca 0.03 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.47 1.58 0.30 -0.61 -4.36 -0.57 -4.24 121.20 110.83 1vha s ILE 147 Ca 0.00 -2.17 0.03 0.00 -0.26 0.00 0.00 60.65 58.25 1vha s ILE 147 Cb 0.00 -2.03 -0.04 0.00 1.25 0.00 0.00 42.46 41.64 1vha s ILE 147 CO 0.00 -0.61 0.16 0.00 0.24 0.00 0.00 174.94 174.73 1vha s ALA 148 N -3.07 1.96 -0.26 2.27 0.00 -0.54 -1.37 121.76 120.75 1vha s ALA 148 Ca 0.22 -1.76 -0.25 0.00 0.00 0.00 0.00 51.96 50.17 1vha s ALA 148 Cb 0.00 1.15 0.08 0.00 0.00 0.00 0.00 23.12 24.36 1vha s ALA 148 CO 0.06 -0.51 0.80 0.00 0.00 0.00 0.00 175.76 176.11 1vha s GLU 150 N 0.22 1.74 -0.02 0.00 2.12 -0.74 -1.30 118.70 120.73 1vha s GLU 150 Ca 0.00 -1.07 -0.09 0.00 0.36 0.00 0.00 54.97 54.18 1vha s GLU 150 Cb -0.05 -1.89 0.01 0.00 0.26 0.00 0.00 34.13 32.46 1vha s GLU 150 CO -0.00 0.49 0.18 0.00 -0.54 0.00 0.00 175.26 175.39 1vha s ALA 151 N -0.79 -0.44 0.03 6.30 0.00 0.77 -0.80 121.76 126.83 1vha s ALA 151 Ca 0.11 0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.22 1vha s ALA 151 Cb -0.10 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1vha s ALA 151 CO 0.02 -0.19 -0.16 0.14 0.00 0.00 0.00 175.76 175.56 1vha s VAL 152 N -1.06 1.27 0.00 0.00 -7.23 -0.79 -0.33 120.40 112.26 1vha s VAL 152 Ca -0.11 -0.99 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1vha s VAL 152 Cb -0.06 -1.12 -0.00 0.00 0.56 0.00 0.00 36.38 35.75 1vha s VAL 152 CO 0.02 0.11 -0.03 0.00 -0.31 0.00 0.00 175.10 174.89 1vha s ALA 153 N -0.75 0.20 -0.17 1.32 0.00 -0.05 -1.75 121.76 120.56 1vha s ALA 153 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1vha s ALA 153 Cb -0.08 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1vha s ALA 153 CO 0.01 0.02 -0.17 -1.17 0.00 0.00 0.00 175.76 174.46 1vha s LEU 154 N -0.26 2.34 -0.00 0.00 2.96 -0.47 -0.45 118.68 122.81 1vha s LEU 154 Ca -0.01 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.35 1vha s LEU 154 Cb -0.02 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 1vha s LEU 154 CO -0.00 0.04 0.05 -0.76 -1.32 0.00 0.00 176.35 174.36 1vha s LEU 155 N 1.07 3.75 0.05 -0.68 1.43 0.15 -0.64 118.68 123.81 1vha s LEU 155 Ca -0.00 0.08 0.09 0.00 -1.03 0.00 0.00 54.13 53.27 1vha s LEU 155 Cb -0.14 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 1vha s LEU 155 CO -0.05 0.27 -0.26 -0.63 0.23 0.00 0.00 176.35 175.91 1vha s ILE 156 N -1.16 2.09 0.11 -0.59 1.01 -0.76 -0.71 121.20 121.19 1vha s ILE 156 Ca 0.22 -1.38 -0.31 0.00 0.00 0.00 0.00 60.65 59.18 1vha s ILE 156 Cb -0.12 -1.79 -0.08 0.00 0.01 0.00 0.00 42.46 40.48 1vha s ILE 156 CO 0.13 0.34 1.39 -0.60 0.00 0.00 0.00 174.94 176.20 1vha s ARG 157 N -1.25 4.32 0.00 2.79 6.06 0.42 -1.70 118.95 129.59 1vha s ARG 157 Ca 0.11 2.07 0.31 0.00 -2.50 0.00 0.00 55.73 55.72 1vha s ARG 157 Cb -0.10 -3.27 1.86 0.00 0.06 0.00 0.00 34.95 33.51 1vha s ARG 157 CO 0.02 -0.44 2.19 0.94 -2.50 0.00 0.00 175.30 175.51