#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hva s LEU 2 N 0.00 3.27 0.00 4.03 2.34 -1.26 -5.14 118.68 121.92 2hva s LEU 2 Ca 0.00 -0.82 0.00 0.00 0.06 0.00 0.00 54.13 53.37 2hva s LEU 2 Cb 0.00 -1.74 0.00 0.00 -0.56 0.00 0.00 46.19 43.89 2hva s LEU 2 CO 0.00 -0.41 0.00 0.61 -1.06 0.00 0.00 176.35 175.49 2hva n GLY 3 N -1.24 1.08 1.99 -3.48 0.00 -1.26 -4.98 105.19 97.30 2hva n GLY 3 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2hva n GLY 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2hva n MET 4 N 0.00 2.56 -1.29 1.61 2.81 -1.26 -4.66 117.12 116.89 2hva n MET 4 Ca 0.00 -3.36 -0.33 0.00 -1.81 0.00 0.00 57.70 52.19 2hva n MET 4 Cb 0.00 -2.16 0.08 0.00 -0.71 0.00 0.00 33.22 30.43 2hva n MET 4 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2hva n ILE 5 N -0.98 3.55 -2.56 2.02 2.08 -1.26 -4.98 119.36 117.23 2hva n ILE 5 Ca 0.52 -2.82 -0.42 0.00 0.56 0.00 0.00 62.75 60.60 2hva n ILE 5 Cb 1.03 -1.18 -0.03 0.00 -0.75 0.00 0.00 39.64 38.71 2hva n ILE 5 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2hva s ARG 6 N -3.63 4.47 0.13 0.38 0.52 -1.26 -5.04 118.95 114.53 2hva s ARG 6 Ca 0.61 1.60 0.10 0.00 -0.52 0.00 0.00 55.73 57.52 2hva s ARG 6 Cb 0.48 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 2hva s ARG 6 CO -0.01 -0.20 -0.22 1.21 0.02 0.00 0.00 175.30 176.10 2hva s ASN 7 N 1.09 3.60 -0.03 0.23 3.84 -1.26 -5.12 114.94 117.29 2hva s ASN 7 Ca 0.55 -0.68 -0.22 0.00 0.21 0.00 0.00 52.86 52.72 2hva s ASN 7 Cb -0.25 -0.38 -0.05 0.00 -0.55 0.00 0.00 41.25 40.03 2hva s ASN 7 CO 0.27 0.17 0.64 -0.44 -2.79 0.00 0.00 177.10 174.95 2hva s SER 8 N -2.20 6.98 0.00 -4.21 0.01 -1.26 -4.91 113.70 108.11 2hva s SER 8 Ca 0.17 1.17 0.00 0.00 1.31 0.00 0.00 55.95 58.60 2hva s SER 8 Cb -0.10 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2hva s SER 8 CO 0.09 0.02 0.00 0.18 0.41 0.00 0.00 173.24 173.93 2hva n LEU 9 N 3.14 0.50 -1.15 2.44 4.32 -1.26 -5.02 117.00 119.97 2hva n LEU 9 Ca -0.05 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.79 2hva n LEU 9 Cb 0.51 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.25 2hva n LEU 9 CO 0.45 -0.09 -0.14 0.49 -1.22 0.00 0.00 177.39 176.88 2hva n PHE 10 N -2.27 0.00 0.00 -1.77 3.72 -1.26 -4.92 117.46 110.97 2hva n PHE 10 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2hva n PHE 10 Cb 0.17 -2.85 0.00 0.00 -0.94 0.00 0.00 39.48 35.86 2hva n PHE 10 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2hva n GLY 11 N -0.55 -0.27 3.49 1.37 0.00 -1.26 -4.82 105.19 103.15 2hva n GLY 11 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 2hva n GLY 11 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hva s SER 12 N -1.56 5.07 0.01 1.61 1.04 -1.26 -5.09 113.70 113.52 2hva s SER 12 Ca 0.00 -0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.29 2hva s SER 12 Cb 0.00 -1.88 -0.01 0.00 0.10 0.00 0.00 66.02 64.24 2hva s SER 12 CO 0.00 0.07 -0.02 0.68 0.98 0.00 0.00 173.24 174.95 2hva s VAL 13 N 0.99 0.15 -0.06 5.02 -7.23 -1.26 -5.14 120.40 112.87 2hva s VAL 13 Ca 0.03 -0.28 -0.00 0.00 -1.81 0.00 0.00 61.98 59.92 2hva s VAL 13 Cb -0.14 -0.17 0.02 0.00 0.56 0.00 0.00 36.38 36.65 2hva s VAL 13 CO 0.02 -0.09 -0.02 -1.61 -0.31 0.00 0.00 175.10 173.09 2hva s GLU 14 N -0.38 0.72 -0.26 4.82 0.41 -1.26 -5.12 118.70 117.63 2hva s GLU 14 Ca -0.03 -0.00 -0.18 0.00 -0.41 0.00 0.00 54.97 54.35 2hva s GLU 14 Cb -0.03 -0.91 -0.03 0.00 -1.78 0.00 0.00 34.13 31.39 2hva s GLU 14 CO -0.00 -0.19 0.53 0.95 -0.49 0.00 0.00 175.26 176.05 2hva s THR 15 N 1.43 5.06 0.28 3.63 -4.23 -1.26 -4.83 115.64 115.72 2hva s THR 15 Ca -0.03 0.91 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 2hva s THR 15 Cb -0.13 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.87 2hva s THR 15 CO -0.03 0.08 0.00 0.79 -0.54 0.00 0.00 174.62 174.93 2hva n TRP 16 N 5.52 -4.28 -0.08 3.99 8.01 -1.26 -4.87 117.44 124.48 2hva n TRP 16 Ca -0.04 2.36 -0.14 0.00 -1.31 0.00 0.00 57.50 58.37 2hva n TRP 16 Cb 0.50 -3.45 -0.05 0.00 -2.01 0.00 0.00 31.31 26.30 2hva n TRP 16 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 2hva h PRO 17 N 3.08 0.78 0.00 -0.99 0.13 -1.96 -3.47 132.00 129.57 2hva h PRO 17 Ca 0.00 -0.48 -0.46 0.00 -0.87 0.00 0.00 66.00 64.19 2hva h PRO 17 Cb 0.00 0.05 -0.10 0.00 0.13 0.00 0.00 31.00 31.07 2hva h PRO 17 CO 0.00 1.11 -0.39 -2.67 -0.23 0.00 0.00 178.00 175.81 2hva n TRP 18 N -4.13 0.04 -3.93 1.56 2.14 -1.26 -4.77 117.44 107.09 2hva n TRP 18 Ca -0.05 -2.23 -0.29 0.00 2.07 0.00 0.00 57.50 57.00 2hva n TRP 18 Cb 0.57 0.02 -0.16 0.00 -0.81 0.00 0.00 31.31 30.93 2hva n TRP 18 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2hva s GLN 19 N -3.30 1.63 -0.33 -2.67 2.00 -0.01 -4.86 119.66 112.12 2hva s GLN 19 Ca 0.19 -0.76 -0.29 0.00 -2.00 0.00 0.00 55.36 52.51 2hva s GLN 19 Cb 0.01 -2.32 0.00 0.00 0.80 0.00 0.00 33.01 31.50 2hva s GLN 19 CO 0.14 -0.49 1.39 0.08 -0.50 0.00 0.00 175.29 175.91 2hva s VAL 20 N 1.50 3.98 -0.73 1.34 1.01 -1.26 -1.25 120.40 124.98 2hva s VAL 20 Ca -0.02 1.06 0.22 0.00 0.00 0.00 0.00 61.98 63.25 2hva s VAL 20 Cb -0.17 -4.11 -0.17 0.00 0.00 0.00 0.00 36.38 31.93 2hva s VAL 20 CO -0.07 -0.56 0.95 0.18 0.00 0.00 0.00 175.10 175.60 2hva n LEU 21 N 8.25 0.67 -3.64 3.92 4.77 -1.20 -5.00 117.00 124.76 2hva n LEU 21 Ca 0.16 -0.20 -0.04 0.00 -0.03 0.00 0.00 56.01 55.90 2hva n LEU 21 Cb 0.47 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.48 2hva n LEU 21 CO 0.66 0.13 0.81 -0.55 -1.33 0.00 0.00 177.39 177.11 2hva s SER 22 N -3.53 -0.20 0.26 -1.43 0.15 -1.26 -4.99 113.70 102.70 2hva s SER 22 Ca 0.05 -0.20 -0.04 0.00 0.70 0.00 0.00 55.95 56.45 2hva s SER 22 Cb 0.15 0.36 0.02 0.00 -1.71 0.00 0.00 66.02 64.84 2hva s SER 22 CO 0.83 -0.64 0.41 0.35 1.20 0.00 0.00 173.24 175.40 2hva n THR 23 N -0.38 0.00 -0.13 6.45 -2.24 -1.26 -2.14 114.28 114.59 2hva n THR 23 Ca -0.07 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.65 2hva n THR 23 Cb 0.61 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 2hva n THR 23 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hva n GLY 24 N -0.39 -3.08 1.37 3.38 0.00 -1.25 -4.98 105.19 100.24 2hva n GLY 24 Ca -0.02 -1.16 -0.04 0.00 0.00 0.00 0.00 46.02 44.80 2hva n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hva n GLY 25 N -1.11 2.14 3.85 -0.02 0.00 -1.26 -4.29 105.19 104.50 2hva n GLY 25 Ca 0.00 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 2hva n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hva s LYS 26 N -2.16 3.51 0.38 1.61 2.20 -0.75 -4.83 119.74 119.69 2hva s LYS 26 Ca 0.08 0.84 0.12 0.00 -0.36 0.00 0.00 55.97 56.65 2hva s LYS 26 Cb -0.01 -2.07 0.76 0.00 -1.51 0.00 0.00 37.83 34.99 2hva s LYS 26 CO 0.06 -0.64 1.85 0.93 -0.36 0.00 0.00 175.35 177.20 2hva h GLU 27 N -0.19 0.04 0.07 4.03 5.08 -2.02 -3.02 114.58 118.58 2hva h GLU 27 Ca -0.44 -0.01 -0.32 0.00 -1.00 0.00 0.00 59.36 57.58 2hva h GLU 27 Cb 1.19 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 2hva h GLU 27 CO 0.61 0.36 -1.78 -0.44 -1.00 0.00 0.00 179.01 176.75 2hva h ASP 28 N 0.04 0.24 -2.39 1.42 3.32 -1.99 -3.45 116.42 113.61 2hva h ASP 28 Ca 0.00 -0.48 -0.31 0.00 0.02 0.00 0.00 57.03 56.26 2hva h ASP 28 Cb 0.58 -0.08 -0.35 0.00 0.22 0.00 0.00 39.33 39.71 2hva h ASP 28 CO 0.04 1.43 -0.62 0.68 -1.72 0.00 0.00 179.24 179.05 2hva s VAL 29 N -2.59 -0.36 0.22 -1.35 -7.23 -1.16 -4.87 120.40 103.06 2hva s VAL 29 Ca -0.12 -0.20 0.01 0.00 -1.81 0.00 0.00 61.98 59.85 2hva s VAL 29 Cb 0.07 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 2hva s VAL 29 CO 0.81 -0.26 0.40 -0.94 -0.31 0.00 0.00 175.10 174.79 2hva s SER 30 N 2.35 6.36 0.08 4.85 1.04 -1.15 -1.81 113.70 125.42 2hva s SER 30 Ca 0.08 0.33 -0.01 0.00 0.48 0.00 0.00 55.95 56.83 2hva s SER 30 Cb -0.15 -1.98 -0.04 0.00 0.10 0.00 0.00 66.02 63.95 2hva s SER 30 CO -0.17 -0.07 0.01 -0.72 0.98 0.00 0.00 173.24 173.26 2hva s TYR 31 N -1.93 0.64 -0.08 5.02 1.13 -1.26 -3.68 117.35 117.20 2hva s TYR 31 Ca 0.38 -1.13 -0.06 0.00 -1.41 0.00 0.00 57.07 54.85 2hva s TYR 31 Cb -0.11 -0.42 0.03 0.00 -1.10 0.00 0.00 41.96 40.36 2hva s TYR 31 CO 0.30 -0.44 0.20 -1.21 -2.51 0.00 0.00 175.55 171.90 2hva s GLU 32 N -3.97 0.21 -0.04 -3.49 2.02 -1.21 -3.95 118.70 108.27 2hva s GLU 32 Ca 0.13 0.35 -0.24 0.00 0.02 0.00 0.00 54.97 55.23 2hva s GLU 32 Cb 0.08 0.02 -0.04 0.00 0.10 0.00 0.00 34.13 34.29 2hva s GLU 32 CO -0.06 -0.08 0.73 -2.00 0.02 0.00 0.00 175.26 173.88 2hva s GLU 33 N 0.51 4.45 -0.05 1.61 2.12 -0.91 -3.55 118.70 122.88 2hva s GLU 33 Ca -0.03 0.95 -0.02 0.00 0.36 0.00 0.00 54.97 56.23 2hva s GLU 33 Cb -0.05 -3.43 0.04 0.00 0.26 0.00 0.00 34.13 30.95 2hva s GLU 33 CO -0.03 0.09 0.10 -0.98 -0.54 0.00 0.00 175.26 173.91 2hva s ARG 34 N 0.67 0.03 -0.06 4.30 1.70 -1.24 -3.27 118.95 121.07 2hva s ARG 34 Ca 0.39 0.34 0.02 0.00 -0.47 0.00 0.00 55.73 56.01 2hva s ARG 34 Cb -0.18 -0.24 -0.03 0.00 -0.57 0.00 0.00 34.95 33.93 2hva s ARG 34 CO 0.20 -0.20 -0.11 0.00 -1.08 0.00 0.00 175.30 174.11 2hva s ALA 35 N 1.36 2.79 -0.04 7.88 0.00 -0.38 -3.48 121.76 129.89 2hva s ALA 35 Ca -0.06 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 50.98 2hva s ALA 35 Cb -0.12 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 21.91 2hva s ALA 35 CO -0.05 0.53 -0.06 0.00 0.00 0.00 0.00 175.76 176.19 2hva s GLU 37 N 0.62 0.66 0.17 0.00 2.02 -1.26 -4.32 118.70 116.58 2hva s GLU 37 Ca -0.09 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.10 2hva s GLU 37 Cb -0.12 -0.54 0.00 0.00 0.10 0.00 0.00 34.13 33.57 2hva s GLU 37 CO 0.01 0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.81 2hva n GLY 38 N 1.50 -5.29 0.00 -1.39 0.00 -1.26 -5.09 105.19 93.66 2hva n GLY 38 Ca -0.21 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2hva n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hva n GLY 39 N 1.73 4.63 3.83 -0.02 0.00 -1.26 -4.96 105.19 109.13 2hva n GLY 39 Ca 0.00 -1.13 -0.23 0.00 0.00 0.00 0.00 46.02 44.66 2hva n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hva s LYS 40 N -3.89 2.95 0.07 1.61 1.02 -1.26 -2.27 119.74 117.96 2hva s LYS 40 Ca 0.00 -0.97 0.01 0.00 0.02 0.00 0.00 55.97 55.03 2hva s LYS 40 Cb 0.00 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 2hva s LYS 40 CO 0.00 0.43 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.75 2hva s PHE 41 N -1.99 0.68 -0.01 3.18 0.08 -0.76 -4.16 117.98 115.00 2hva s PHE 41 Ca 0.32 -0.87 -0.14 0.00 0.12 0.00 0.00 56.93 56.37 2hva s PHE 41 Cb -0.09 -0.43 -0.06 0.00 -0.57 0.00 0.00 43.02 41.88 2hva s PHE 41 CO 0.25 -0.22 0.38 0.00 -0.10 0.00 0.00 175.22 175.53 2hva s ALA 42 N -3.19 3.72 0.01 5.36 0.00 -1.25 -1.44 121.76 124.96 2hva s ALA 42 Ca 0.04 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.75 2hva s ALA 42 Cb 0.03 -2.34 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 2hva s ALA 42 CO -0.05 0.50 -0.05 0.95 0.00 0.00 0.00 175.76 177.11 2hva s THR 43 N -1.09 0.35 -0.08 0.00 -4.23 -0.26 -1.14 115.64 109.18 2hva s THR 43 Ca 0.23 -0.46 0.01 0.00 -1.18 0.00 0.00 61.69 60.29 2hva s THR 43 Cb -0.16 -0.35 0.02 0.00 1.34 0.00 0.00 72.50 73.35 2hva s THR 43 CO 0.13 -0.08 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.33 2hva s VAL 44 N -0.54 1.07 -0.15 2.29 1.01 -1.08 -2.47 120.40 120.53 2hva s VAL 44 Ca -0.03 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 2hva s VAL 44 Cb -0.04 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 2hva s VAL 44 CO -0.00 0.36 0.31 -0.70 0.00 0.00 0.00 175.10 175.06 2hva s GLU 45 N 1.10 4.20 -0.09 2.72 2.12 -1.26 -1.47 118.70 126.02 2hva s GLU 45 Ca -0.06 0.13 -0.03 0.00 0.36 0.00 0.00 54.97 55.37 2hva s GLU 45 Cb -0.14 -3.40 0.04 0.00 0.26 0.00 0.00 34.13 30.88 2hva s GLU 45 CO -0.01 0.29 0.05 0.08 -0.54 0.00 0.00 175.26 175.12 2hva s VAL 46 N 0.31 0.08 0.40 3.70 1.01 -1.08 -5.04 120.40 119.77 2hva s VAL 46 Ca 0.18 0.13 0.08 0.00 0.00 0.00 0.00 61.98 62.36 2hva s VAL 46 Cb -0.13 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 2hva s VAL 46 CO 0.05 0.06 0.35 -0.89 0.00 0.00 0.00 175.10 174.67 2hva s THR 47 N 2.08 2.79 -1.47 3.92 2.01 -1.26 -2.56 115.64 121.15 2hva s THR 47 Ca 0.04 -1.38 -0.14 0.00 0.31 0.00 0.00 61.69 60.51 2hva s THR 47 Cb -0.13 -3.03 0.12 0.00 0.01 0.00 0.00 72.50 69.47 2hva s THR 47 CO -0.05 -0.03 0.64 -0.67 -0.69 0.00 0.00 174.62 173.82 2hva n ASP 48 N -1.49 -3.39 -3.71 3.53 -0.08 -1.26 -4.90 116.55 105.25 2hva n ASP 48 Ca 0.02 -0.71 -0.12 0.00 -1.51 0.00 0.00 54.79 52.47 2hva n ASP 48 Cb 0.62 -2.80 -0.10 0.00 2.34 0.00 0.00 41.12 41.18 2hva n ASP 48 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2hva s LYS 49 N -6.50 0.50 0.00 -0.67 1.02 -1.26 -5.05 119.74 107.78 2hva s LYS 49 Ca 0.59 0.68 0.00 0.00 0.02 0.00 0.00 55.97 57.26 2hva s LYS 49 Cb -0.32 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.18 2hva s LYS 49 CO 0.72 -0.09 0.00 -2.30 -0.92 0.00 0.00 175.35 172.76 2hva n PRO 50 N 3.21 1.18 -0.05 -1.68 -0.02 -1.26 -3.77 135.00 132.61 2hva n PRO 50 Ca -0.16 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.28 2hva n PRO 50 Cb 0.57 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.03 2hva n PRO 50 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2hva n VAL 51 N -0.92 0.95 -0.26 -1.45 0.31 -1.26 -3.21 118.33 112.49 2hva n VAL 51 Ca 0.00 0.30 -0.04 0.00 -0.01 0.00 0.00 64.34 64.59 2hva n VAL 51 Cb 0.00 -2.08 0.07 0.00 -0.91 0.00 0.00 33.84 30.92 2hva n VAL 51 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2hva h ASP 52 N -0.66 0.80 -0.23 4.52 5.19 -1.95 -0.88 116.42 123.21 2hva h ASP 52 Ca 0.00 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.35 2hva h ASP 52 Cb 0.42 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 2hva h ASP 52 CO 0.00 0.57 -0.03 -0.33 -3.12 0.00 0.00 179.24 176.33 2hva h GLU 53 N 0.95 0.43 -0.74 3.56 5.08 -1.95 -3.00 114.58 118.90 2hva h GLU 53 Ca 0.28 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 2hva h GLU 53 Cb -0.04 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 2hva h GLU 53 CO -0.09 0.64 0.49 0.00 -1.00 0.00 0.00 179.01 179.05 2hva h ALA 54 N 0.77 1.57 -0.62 3.43 0.00 -1.45 -1.61 119.26 121.34 2hva h ALA 54 Ca 0.06 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2hva h ALA 54 Cb 0.47 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2hva h ALA 54 CO 0.02 0.36 0.41 -0.07 0.00 0.00 0.00 179.25 179.97 2hva h LEU 55 N 0.90 0.59 -1.45 0.00 3.38 -1.03 0.42 115.31 118.13 2hva h LEU 55 Ca 0.29 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 2hva h LEU 55 Cb 0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2hva h LEU 55 CO -0.08 0.39 0.08 0.03 0.09 0.00 0.00 178.44 178.95 2hva h ARG 56 N 0.68 0.45 0.00 1.13 3.08 -1.25 0.32 114.38 118.78 2hva h ARG 56 Ca 0.26 -0.06 -0.23 0.00 0.07 0.00 0.00 59.98 60.01 2hva h ARG 56 Cb 0.17 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 2hva h ARG 56 CO -0.08 0.41 -1.42 1.49 -1.07 0.00 0.00 179.97 179.31 2hva h GLU 57 N 0.45 0.00 -0.09 0.04 4.57 -1.14 -3.36 114.58 115.05 2hva h GLU 57 Ca 0.11 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.15 2hva h GLU 57 Cb 0.17 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2hva h GLU 57 CO -0.00 0.54 -0.48 0.00 -1.18 0.00 0.00 179.01 177.89 2hva h ALA 58 N 1.13 0.18 -0.70 2.92 0.00 0.41 -3.27 119.26 119.93 2hva h ALA 58 Ca -0.18 -0.50 0.05 0.00 0.00 0.00 0.00 54.91 54.27 2hva h ALA 58 Cb 1.82 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 2hva h ALA 58 CO 0.08 0.34 0.42 0.52 0.00 0.00 0.00 179.25 180.61 2hva h MET 59 N 0.05 0.77 -0.45 0.00 2.86 -0.56 0.13 114.93 117.73 2hva h MET 59 Ca -0.03 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2hva h MET 59 Cb 1.13 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 2hva h MET 59 CO 0.10 0.51 0.30 -1.35 1.06 0.00 0.00 176.91 177.52 2hva h PRO 60 N 0.79 0.59 -0.27 -0.22 0.11 -1.71 0.94 132.00 132.23 2hva h PRO 60 Ca 0.30 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.24 2hva h PRO 60 Cb 0.11 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 2hva h PRO 60 CO -0.15 0.39 -0.35 0.87 -0.21 0.00 0.00 178.00 178.56 2hva h LYS 61 N 0.61 0.72 0.01 1.05 1.57 -1.54 -2.59 116.57 116.39 2hva h LYS 61 Ca 0.17 -0.41 -0.24 0.00 -1.87 0.00 0.00 60.65 58.30 2hva h LYS 61 Cb -0.07 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.28 2hva h LYS 61 CO -0.04 1.03 -1.00 0.97 -0.57 0.00 0.00 179.45 179.84 2hva h ILE 62 N 0.46 1.35 -0.11 1.86 2.10 -0.59 -3.24 117.51 119.34 2hva h ILE 62 Ca 0.03 -2.38 -0.07 0.00 1.08 0.00 0.00 64.86 63.52 2hva h ILE 62 Cb 0.93 2.42 -0.01 0.00 -1.09 0.00 0.00 36.82 39.07 2hva h ILE 62 CO 0.08 0.72 -0.25 0.00 -1.08 0.00 0.00 178.15 177.62 2hva h MET 63 N 0.29 0.19 0.00 2.19 -0.00 0.87 -2.25 114.93 116.22 2hva h MET 63 Ca -0.10 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.70 59.53 2hva h MET 63 Cb 1.64 -0.02 -0.00 0.00 -0.00 0.00 0.00 31.60 33.22 2hva h MET 63 CO 0.18 0.44 -0.04 0.87 -0.00 0.00 0.00 176.91 178.36 2hva h LYS 64 N 0.18 0.00 -0.02 -0.10 1.57 -1.48 -1.05 116.57 115.67 2hva h LYS 64 Ca 0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2hva h LYS 64 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2hva h LYS 64 CO 0.04 0.04 -0.07 -0.92 -0.57 0.00 0.00 179.45 177.97 2hva h TYR 65 N 0.00 0.10 0.00 -1.35 3.20 -1.50 0.78 116.97 118.20 2hva h TYR 65 Ca -0.00 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 2hva h TYR 65 Cb 0.08 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 2hva h TYR 65 CO 0.00 0.72 -0.09 -0.39 -1.64 0.00 0.00 178.16 176.76 2hva h VAL 66 N -0.54 0.35 -0.11 1.81 -1.51 -1.38 -3.41 116.25 111.47 2hva h VAL 66 Ca -0.00 -0.51 0.07 0.00 -1.23 0.00 0.00 66.70 65.02 2hva h VAL 66 Cb 0.73 1.37 -0.16 0.00 -2.13 0.00 0.00 31.29 31.10 2hva h VAL 66 CO 0.01 0.09 -0.08 -0.83 -1.23 0.00 0.00 177.57 175.53 2hva s GLY 67 N -4.20 -1.87 0.00 5.19 0.00 -0.43 -3.71 107.32 102.31 2hva s GLY 67 Ca -0.02 0.92 0.00 0.00 0.00 0.00 0.00 44.72 45.63 2hva s GLY 67 CO 0.55 4.38 0.00 0.61 0.00 0.00 0.00 173.10 178.65 2hva n GLY 68 N 2.88 -0.00 3.15 0.20 0.00 0.49 -4.57 105.19 107.34 2hva n GLY 68 Ca 0.09 -0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 2hva n GLY 68 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2hva s THR 69 N -1.34 -0.38 0.00 2.61 -1.32 0.24 -5.00 115.64 110.46 2hva s THR 69 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2hva s THR 69 Cb 0.00 -0.38 0.00 0.00 -1.51 0.00 0.00 72.50 70.61 2hva s THR 69 CO 0.00 0.00 0.48 -0.46 -2.21 0.00 0.00 174.62 172.43 2hva n ASN 70 N 5.16 0.85 -3.55 8.08 6.94 -1.26 -4.05 115.26 127.43 2hva n ASN 70 Ca 0.09 -1.21 -0.23 0.00 -0.02 0.00 0.00 54.58 53.20 2hva n ASN 70 Cb 0.57 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 38.07 2hva n ASN 70 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2hva n ASP 71 N -0.11 -5.87 0.01 0.53 2.03 -1.26 -3.96 116.55 107.93 2hva n ASP 71 Ca 0.00 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 54.77 2hva n ASP 71 Cb 0.18 -5.00 0.00 0.00 -0.72 0.00 0.00 41.12 35.58 2hva n ASP 71 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2hva n LYS 72 N -4.87 0.00 -0.82 -0.67 3.00 -1.26 -4.88 118.16 108.67 2hva n LYS 72 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2hva n LYS 72 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 2hva n LYS 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hva n GLY 73 N 0.25 0.78 3.93 3.14 0.00 -1.26 -5.11 105.19 106.93 2hva n GLY 73 Ca 0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 2hva n GLY 73 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hva n VAL 74 N -0.68 0.00 -3.86 1.61 0.24 -1.26 -5.12 118.33 109.26 2hva n VAL 74 Ca 0.00 -1.98 -0.27 0.00 -2.04 0.00 0.00 64.34 60.06 2hva n VAL 74 Cb 0.18 -0.47 -0.17 0.00 -1.47 0.00 0.00 33.84 31.91 2hva n VAL 74 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2hva s GLY 75 N -4.62 0.79 -0.19 7.63 0.00 -1.26 -4.96 107.32 104.71 2hva s GLY 75 Ca 0.59 -0.57 0.01 0.00 0.00 0.00 0.00 44.72 44.75 2hva s GLY 75 CO 0.37 0.96 -0.18 1.06 0.00 0.00 0.00 173.10 175.31 2hva s MET 76 N 1.75 2.85 0.58 2.90 -1.94 -1.24 -4.99 119.30 119.20 2hva s MET 76 Ca 0.03 -0.90 0.28 0.00 -1.71 0.00 0.00 55.69 53.39 2hva s MET 76 Cb -0.14 -2.61 1.61 0.00 2.01 0.00 0.00 34.83 35.70 2hva s MET 76 CO -0.07 -0.27 2.08 0.78 -0.01 0.00 0.00 175.02 177.53 2hva h GLY 77 N 7.92 0.00 -3.40 -0.03 0.00 -2.00 -3.45 103.07 102.11 2hva h GLY 77 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2hva h GLY 77 CO 0.61 0.00 -0.80 -0.13 0.00 0.00 0.00 176.54 176.21 2hva n MET 78 N -3.88 -4.29 -0.33 4.80 1.56 -1.26 -4.95 117.12 108.77 2hva n MET 78 Ca 0.03 3.13 -0.28 0.00 -0.27 0.00 0.00 57.70 60.30 2hva n MET 78 Cb 0.36 -3.46 0.27 0.00 2.15 0.00 0.00 33.22 32.53 2hva n MET 78 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 2hva n THR 79 N 0.00 0.00 -0.10 1.12 5.66 -1.26 -5.01 114.28 114.69 2hva n THR 79 Ca 0.00 -0.12 -0.17 0.00 -3.05 0.00 0.00 64.05 60.71 2hva n THR 79 Cb 0.00 -0.91 -0.07 0.00 -1.55 0.00 0.00 70.33 67.81 2hva n THR 79 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2hva n VAL 80 N -5.44 1.50 -3.42 1.08 0.31 -1.26 -4.94 118.33 106.15 2hva n VAL 80 Ca 0.10 -0.03 -0.37 0.00 -0.01 0.00 0.00 64.34 64.03 2hva n VAL 80 Cb 0.55 -2.15 -0.06 0.00 -0.91 0.00 0.00 33.84 31.27 2hva n VAL 80 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2hva s PRO 81 N -2.51 4.29 0.17 5.55 0.04 -1.26 -5.02 135.00 136.25 2hva s PRO 81 Ca -0.28 0.29 -0.08 0.00 0.04 0.00 0.00 61.00 60.96 2hva s PRO 81 Cb 0.07 -3.42 -0.06 0.00 0.04 0.00 0.00 34.50 31.12 2hva s PRO 81 CO 0.44 0.21 0.46 0.08 0.04 0.00 0.00 177.00 178.23 2hva s VAL 82 N 0.50 5.04 0.08 -0.36 1.01 -1.26 -4.99 120.40 120.42 2hva s VAL 82 Ca 0.22 0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.60 2hva s VAL 82 Cb -0.14 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2hva s VAL 82 CO 0.07 0.05 -0.18 -0.44 0.00 0.00 0.00 175.10 174.61 2hva s SER 83 N -2.24 2.15 0.09 3.32 0.01 -1.24 -3.51 113.70 112.28 2hva s SER 83 Ca 0.42 -0.62 0.04 0.00 1.31 0.00 0.00 55.95 57.10 2hva s SER 83 Cb -0.12 -0.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.96 2hva s SER 83 CO 0.22 0.02 -0.10 0.72 0.41 0.00 0.00 173.24 174.51 2hva s PHE 84 N -1.12 1.04 -0.06 2.43 -0.71 -0.81 -0.57 117.98 118.17 2hva s PHE 84 Ca 0.03 -0.62 -0.14 0.00 -1.04 0.00 0.00 56.93 55.16 2hva s PHE 84 Cb -0.10 -0.58 -0.05 0.00 -1.21 0.00 0.00 43.02 41.09 2hva s PHE 84 CO 0.03 -0.00 0.37 0.00 -1.34 0.00 0.00 175.22 174.27 2hva s ALA 85 N -2.22 3.67 -0.04 1.99 0.00 0.39 -1.53 121.76 124.02 2hva s ALA 85 Ca 0.03 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 51.72 2hva s ALA 85 Cb -0.04 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.70 2hva s ALA 85 CO 0.00 0.35 -0.12 0.14 0.00 0.00 0.00 175.76 176.13 2hva s VAL 86 N -0.54 1.07 -0.53 0.00 -7.23 -0.78 -2.21 120.40 110.20 2hva s VAL 86 Ca 0.22 -0.50 -0.05 0.00 -1.81 0.00 0.00 61.98 59.84 2hva s VAL 86 Cb -0.15 -0.95 0.14 0.00 0.56 0.00 0.00 36.38 35.97 2hva s VAL 86 CO 0.10 0.33 0.35 -0.36 -0.31 0.00 0.00 175.10 175.21 2hva s PHE 87 N 0.27 3.50 0.90 2.82 0.40 -1.26 -3.08 117.98 121.53 2hva s PHE 87 Ca -0.06 -2.41 -0.11 0.00 -0.60 0.00 0.00 56.93 53.74 2hva s PHE 87 Cb -0.11 -3.30 0.13 0.00 0.51 0.00 0.00 43.02 40.25 2hva s PHE 87 CO 0.02 -0.93 1.09 -2.14 0.70 0.00 0.00 175.22 173.96 2hva s PRO 88 N 0.66 1.19 0.65 0.24 0.02 -1.26 -4.50 135.00 132.01 2hva s PRO 88 Ca 0.12 0.93 -0.02 0.00 0.02 0.00 0.00 61.00 62.05 2hva s PRO 88 Cb -0.22 -1.79 0.07 0.00 0.02 0.00 0.00 34.50 32.58 2hva s PRO 88 CO -0.03 -2.31 0.92 -0.80 -0.33 0.00 0.00 177.00 174.44 2hva s ASN 89 N -3.28 4.82 0.64 2.53 0.01 0.32 -4.90 114.94 115.08 2hva s ASN 89 Ca 0.64 0.04 0.33 0.00 -0.71 0.00 0.00 52.86 53.15 2hva s ASN 89 Cb -0.19 -0.69 1.79 0.00 0.41 0.00 0.00 41.25 42.57 2hva s ASN 89 CO 0.57 -1.52 2.06 1.05 -1.51 0.00 0.00 177.10 177.76 2hva h GLU 90 N -0.34 0.00 -0.00 -0.60 4.11 -1.97 0.48 114.58 116.26 2hva h GLU 90 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 2hva h GLU 90 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2hva h GLU 90 CO 0.51 0.00 -0.17 -3.47 0.07 0.00 0.00 179.01 175.95 2hva n ASP 91 N -3.26 0.48 0.00 3.06 -0.08 -1.26 -4.92 116.55 110.57 2hva n ASP 91 Ca -0.00 -0.44 0.00 0.00 -1.51 0.00 0.00 54.79 52.84 2hva n ASP 91 Cb 0.33 -0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.74 2hva n ASP 91 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2hva n GLY 92 N 1.34 2.29 1.86 0.27 0.00 0.17 -5.05 105.19 106.07 2hva n GLY 92 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 2hva n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hva n SER 93 N 0.00 0.05 -4.46 1.61 3.41 -1.26 -4.58 113.62 108.38 2hva n SER 93 Ca 0.00 -1.23 -0.23 0.00 -0.26 0.00 0.00 58.87 57.15 2hva n SER 93 Cb 0.00 -0.49 -0.10 0.00 -0.26 0.00 0.00 64.21 63.35 2hva n SER 93 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2hva s LEU 94 N 0.00 2.57 -0.43 1.04 1.43 -1.26 0.12 118.68 122.15 2hva s LEU 94 Ca 0.36 -1.18 0.07 0.00 -1.03 0.00 0.00 54.13 52.36 2hva s LEU 94 Cb -0.01 -0.79 0.18 0.00 0.03 0.00 0.00 46.19 45.61 2hva s LEU 94 CO 0.26 -0.27 0.68 -1.10 0.23 0.00 0.00 176.35 176.15 2hva s GLN 95 N -3.67 0.83 1.34 1.70 -0.21 -1.26 -4.89 119.66 113.50 2hva s GLN 95 Ca 0.30 -0.40 0.00 0.00 0.02 0.00 0.00 55.36 55.28 2hva s GLN 95 Cb 0.03 0.07 0.00 0.00 1.00 0.00 0.00 33.01 34.10 2hva s GLN 95 CO 0.13 -1.16 0.00 1.63 -2.12 0.00 0.00 175.29 173.78 2hva n LYS 96 N 4.08 0.00 -2.43 2.91 4.76 -1.26 -4.99 118.16 121.23 2hva n LYS 96 Ca 0.12 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.51 2hva n LYS 96 Cb 0.57 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.72 2hva n LYS 96 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2hva n LYS 97 N -0.92 -3.92 -3.73 1.97 3.00 -1.25 -4.76 118.16 108.56 2hva n LYS 97 Ca 0.00 3.03 -0.14 0.00 -0.00 0.00 0.00 58.31 61.20 2hva n LYS 97 Cb 0.00 -4.48 -0.14 0.00 0.00 0.00 0.00 35.03 30.41 2hva n LYS 97 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2hva s LEU 98 N -0.58 0.50 -0.27 3.14 0.20 -1.06 -4.21 118.68 116.41 2hva s LEU 98 Ca -0.25 0.35 -0.04 0.00 0.69 0.00 0.00 54.13 54.88 2hva s LEU 98 Cb 0.02 0.42 0.01 0.00 -0.43 0.00 0.00 46.19 46.21 2hva s LEU 98 CO 0.68 -0.17 0.00 -0.75 -0.29 0.00 0.00 176.35 175.82 2hva s LYS 99 N 1.42 3.01 0.33 1.98 2.36 -0.94 -2.65 119.74 125.25 2hva s LYS 99 Ca -0.07 -0.88 -0.28 0.00 -2.55 0.00 0.00 55.97 52.19 2hva s LYS 99 Cb -0.11 -3.16 -0.09 0.00 -1.05 0.00 0.00 37.83 33.41 2hva s LYS 99 CO -0.06 -0.40 1.16 0.08 1.55 0.00 0.00 175.35 177.68 2hva s VAL 100 N 1.42 3.23 -0.10 4.02 1.01 -0.54 0.15 120.40 129.59 2hva s VAL 100 Ca 0.02 1.18 0.04 0.00 0.00 0.00 0.00 61.98 63.21 2hva s VAL 100 Cb -0.17 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 2hva s VAL 100 CO -0.01 0.23 -0.23 0.26 0.00 0.00 0.00 175.10 175.35 2hva s TRP 101 N -1.24 2.57 0.25 5.22 0.52 0.26 -2.64 118.94 123.87 2hva s TRP 101 Ca 0.49 -0.95 0.10 0.00 0.02 0.00 0.00 56.10 55.77 2hva s TRP 101 Cb -0.33 -1.70 -0.04 0.00 -1.15 0.00 0.00 33.47 30.24 2hva s TRP 101 CO 0.43 -0.36 -0.06 0.12 0.02 0.00 0.00 176.95 177.09 2hva s PHE 102 N 0.25 2.60 -0.31 -1.98 5.36 -0.29 -3.64 117.98 119.96 2hva s PHE 102 Ca -0.15 -0.25 -0.00 0.00 -0.96 0.00 0.00 56.93 55.57 2hva s PHE 102 Cb -0.17 -1.17 0.06 0.00 -0.34 0.00 0.00 43.02 41.40 2hva s PHE 102 CO 0.08 0.62 0.01 0.50 -1.46 0.00 0.00 175.22 174.96 2hva s ARG 103 N -3.47 2.26 0.09 10.12 3.52 -1.26 -3.93 118.95 126.28 2hva s ARG 103 Ca 0.30 -1.40 -0.25 0.00 -0.13 0.00 0.00 55.73 54.25 2hva s ARG 103 Cb -0.07 -3.17 -0.07 0.00 -1.56 0.00 0.00 34.95 30.09 2hva s ARG 103 CO 0.18 -0.69 0.75 0.42 -0.81 0.00 0.00 175.30 175.15 2hva s ILE 104 N 1.18 4.59 0.75 4.11 1.01 -1.26 -4.57 121.20 127.01 2hva s ILE 104 Ca -0.03 1.62 -0.15 0.00 0.00 0.00 0.00 60.65 62.09 2hva s ILE 104 Cb -0.20 -4.10 0.01 0.00 0.01 0.00 0.00 42.46 38.17 2hva s ILE 104 CO -0.03 0.44 0.85 -2.65 0.00 0.00 0.00 174.94 173.56 2hva n PRO 105 N 2.25 0.36 0.23 2.79 -0.02 -1.26 -4.72 135.00 134.62 2hva n PRO 105 Ca -0.04 0.18 0.15 0.00 -2.02 0.00 0.00 63.50 61.76 2hva n PRO 105 Cb 0.50 -2.13 0.80 0.00 -0.02 0.00 0.00 33.50 32.65 2hva n PRO 105 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2hva h ASN 106 N -0.45 0.00 -0.26 2.55 4.21 -1.99 -1.52 115.58 118.11 2hva h ASN 106 Ca -0.46 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.04 2hva h ASN 106 Cb 1.33 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.52 2hva h ASN 106 CO 0.45 0.00 0.15 1.56 -1.29 0.00 0.00 177.43 178.30 2hva h GLN 107 N 0.00 0.37 0.00 0.81 7.50 -2.02 -2.77 115.11 119.00 2hva h GLN 107 Ca 0.06 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.17 2hva h GLN 107 Cb 0.29 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.74 2hva h GLN 107 CO -0.00 0.32 -0.35 1.19 -1.50 0.00 0.00 178.83 178.49 2hva n PHE 108 N -4.85 0.14 -0.28 2.96 3.01 -0.86 -4.03 117.46 113.55 2hva n PHE 108 Ca -0.02 0.04 0.04 0.00 1.01 0.00 0.00 57.45 58.52 2hva n PHE 108 Cb 0.07 -0.43 0.18 0.00 -0.01 0.00 0.00 39.48 39.30 2hva n PHE 108 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 2hva h GLN 109 N 0.00 0.66 -0.28 -1.08 5.75 -0.99 0.42 115.11 119.59 2hva h GLN 109 Ca 0.00 -0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.54 2hva h GLN 109 Cb 0.55 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 2hva h GLN 109 CO 0.00 0.44 0.22 0.78 -2.65 0.00 0.00 178.83 177.62 2hva h GLY 110 N 0.68 0.00 -5.06 2.39 0.00 -1.70 -3.39 103.07 95.99 2hva h GLY 110 Ca 0.41 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.84 2hva h GLY 110 CO -0.30 0.00 -0.08 -0.56 0.00 0.00 0.00 176.54 175.60 2hva s SER 111 N -6.40 -0.16 0.93 0.19 0.01 0.06 -5.10 113.70 103.23 2hva s SER 111 Ca -0.05 -0.13 -0.10 0.00 1.31 0.00 0.00 55.95 56.97 2hva s SER 111 Cb 0.18 0.21 0.16 0.00 0.21 0.00 0.00 66.02 66.78 2hva s SER 111 CO 0.67 -0.01 1.13 -2.84 0.41 0.00 0.00 173.24 172.60 2hva s PRO 112 N 1.53 0.86 0.57 12.44 0.02 0.13 -4.88 135.00 145.67 2hva s PRO 112 Ca 0.18 1.47 -0.15 0.00 0.02 0.00 0.00 61.00 62.52 2hva s PRO 112 Cb 0.09 -1.72 -0.05 0.00 0.02 0.00 0.00 34.50 32.84 2hva s PRO 112 CO -0.14 -2.71 1.02 -2.14 -0.33 0.00 0.00 177.00 172.70 2hva s PRO 113 N -4.64 3.58 -0.19 5.54 0.02 -1.26 -4.98 135.00 133.08 2hva s PRO 113 Ca 0.67 1.02 -0.29 0.00 0.02 0.00 0.00 61.00 62.42 2hva s PRO 113 Cb -0.23 -2.08 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 2hva s PRO 113 CO 0.59 -0.58 1.73 0.00 -0.33 0.00 0.00 177.00 178.40 2hva s ALA 114 N -2.66 3.25 0.96 -1.55 0.00 -1.25 -4.99 121.76 115.51 2hva s ALA 114 Ca 0.60 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 53.06 2hva s ALA 114 Cb -0.13 -3.87 0.16 0.00 0.00 0.00 0.00 23.12 19.28 2hva s ALA 114 CO 0.38 -1.99 1.10 -1.25 0.00 0.00 0.00 175.76 174.00 2hva s PRO 115 N 4.83 0.76 0.40 0.00 0.04 -1.26 -4.28 135.00 135.48 2hva s PRO 115 Ca 0.77 0.53 0.08 0.00 0.04 0.00 0.00 61.00 62.41 2hva s PRO 115 Cb -0.28 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2hva s PRO 115 CO 0.31 -2.51 0.26 -1.54 0.04 0.00 0.00 177.00 173.56 2hva s SER 116 N -3.57 4.77 0.22 6.66 1.04 -1.26 -4.96 113.70 116.60 2hva s SER 116 Ca 0.64 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2hva s SER 116 Cb -0.18 -0.58 0.00 0.00 0.10 0.00 0.00 66.02 65.36 2hva s SER 116 CO 0.57 -0.54 0.00 -0.67 0.98 0.00 0.00 173.24 173.58 2hva n ASP 117 N -1.36 -7.06 0.20 7.02 2.03 -1.26 -4.01 116.55 112.12 2hva n ASP 117 Ca 0.00 0.94 0.14 0.00 0.52 0.00 0.00 54.79 56.39 2hva n ASP 117 Cb 0.63 -3.41 0.73 0.00 -0.72 0.00 0.00 41.12 38.35 2hva n ASP 117 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2hva h GLU 118 N 2.41 0.00 0.00 -0.67 4.57 -2.04 -0.97 114.58 117.88 2hva h GLU 118 Ca 0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.99 2hva h GLU 118 Cb 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 2hva h GLU 118 CO 0.00 0.00 -0.90 1.03 -1.18 0.00 0.00 179.01 177.96 2hva h SER 119 N 0.00 0.00 -3.52 1.04 0.87 -1.97 -3.43 113.55 106.55 2hva h SER 119 Ca 0.00 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.96 2hva h SER 119 Cb 0.02 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.88 2hva h SER 119 CO 0.00 0.90 0.49 -0.69 -0.53 0.00 0.00 176.83 177.01 2hva s VAL 120 N -2.77 4.65 0.20 2.23 1.01 -0.37 -4.19 120.40 121.16 2hva s VAL 120 Ca 0.01 1.02 0.10 0.00 0.00 0.00 0.00 61.98 63.11 2hva s VAL 120 Cb 0.10 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2hva s VAL 120 CO 0.81 -0.50 -0.19 -0.75 0.00 0.00 0.00 175.10 174.46 2hva s LYS 121 N 3.31 1.43 -0.14 2.72 2.20 -1.03 -4.75 119.74 123.48 2hva s LYS 121 Ca 0.35 -1.55 -0.01 0.00 -0.36 0.00 0.00 55.97 54.40 2hva s LYS 121 Cb -0.12 -1.51 -0.01 0.00 -1.51 0.00 0.00 37.83 34.67 2hva s LYS 121 CO 0.18 0.30 -0.12 0.42 -0.36 0.00 0.00 175.35 175.77 2hva s ILE 122 N -2.23 3.11 0.15 5.43 -1.09 -1.26 -1.10 121.20 124.21 2hva s ILE 122 Ca 0.21 -0.63 0.01 0.00 -2.23 0.00 0.00 60.65 58.01 2hva s ILE 122 Cb -0.05 -2.32 -0.04 0.00 -1.58 0.00 0.00 42.46 38.47 2hva s ILE 122 CO 0.09 0.51 0.31 -1.61 -1.23 0.00 0.00 174.94 173.01 2hva s GLU 123 N 0.51 3.47 0.83 2.79 0.41 -0.52 -4.90 118.70 121.30 2hva s GLU 123 Ca -0.08 -0.46 -0.06 0.00 -0.41 0.00 0.00 54.97 53.96 2hva s GLU 123 Cb -0.16 -2.94 0.17 0.00 -1.78 0.00 0.00 34.13 29.43 2hva s GLU 123 CO 0.04 0.50 1.14 -1.21 -0.49 0.00 0.00 175.26 175.24 2hva s GLU 124 N -3.09 1.12 -0.56 1.61 2.02 -1.26 -1.83 118.70 116.71 2hva s GLU 124 Ca 0.36 -1.02 -0.26 0.00 0.02 0.00 0.00 54.97 54.07 2hva s GLU 124 Cb -0.11 -2.16 -0.09 0.00 0.10 0.00 0.00 34.13 31.87 2hva s GLU 124 CO 0.28 -1.92 2.43 2.89 0.02 0.00 0.00 175.26 178.97 2hva n ARG 125 N -3.22 0.92 0.25 1.61 1.85 -0.96 -4.77 116.66 112.34 2hva n ARG 125 Ca 0.17 -0.10 0.14 0.00 -1.00 0.00 0.00 57.85 57.05 2hva n ARG 125 Cb 0.60 -3.35 0.58 0.00 -1.05 0.00 0.00 32.46 29.24 2hva n ARG 125 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 2hva h GLU 126 N 18.41 0.00 -5.47 2.89 4.57 -1.91 -3.46 114.58 129.60 2hva h GLU 126 Ca -0.20 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.93 2hva h GLU 126 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 2hva h GLU 126 CO 1.16 0.10 -0.31 0.41 -1.18 0.00 0.00 179.01 179.18 2hva n GLY 127 N 0.07 -1.21 2.96 1.92 0.00 -1.26 -5.05 105.19 102.62 2hva n GLY 127 Ca 0.00 0.82 -0.12 0.00 0.00 0.00 0.00 46.02 46.72 2hva n GLY 127 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2hva s ILE 128 N -2.78 0.21 -0.12 -0.61 -5.25 -1.26 -5.07 121.20 106.32 2hva s ILE 128 Ca 0.11 -0.54 -0.05 0.00 -0.99 0.00 0.00 60.65 59.18 2hva s ILE 128 Cb -0.03 -0.26 -0.04 0.00 2.95 0.00 0.00 42.46 45.08 2hva s ILE 128 CO 0.77 -0.22 0.06 -0.89 -1.79 0.00 0.00 174.94 172.88 2hva s THR 129 N -0.76 4.84 0.01 8.37 2.01 -1.26 -4.36 115.64 124.49 2hva s THR 129 Ca -0.07 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.90 2hva s THR 129 Cb -0.06 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 2hva s THR 129 CO -0.00 0.57 -0.03 0.68 -0.69 0.00 0.00 174.62 175.15 2hva s VAL 130 N -0.62 0.15 -0.17 3.82 -7.23 -1.23 0.93 120.40 116.06 2hva s VAL 130 Ca 0.11 -0.55 -0.05 0.00 -1.81 0.00 0.00 61.98 59.68 2hva s VAL 130 Cb -0.12 -0.22 -0.03 0.00 0.56 0.00 0.00 36.38 36.57 2hva s VAL 130 CO 0.02 -0.26 -0.01 -0.31 -0.31 0.00 0.00 175.10 174.24 2hva s TYR 131 N -0.82 3.08 -0.05 2.82 2.02 -1.25 -3.62 117.35 119.52 2hva s TYR 131 Ca -0.08 -0.25 -0.02 0.00 -0.37 0.00 0.00 57.07 56.35 2hva s TYR 131 Cb -0.06 -2.01 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 2hva s TYR 131 CO -0.00 -0.04 0.04 -1.54 -1.57 0.00 0.00 175.55 172.44 2hva s SER 132 N 0.50 5.48 -0.01 2.29 1.04 -1.23 -3.71 113.70 118.05 2hva s SER 132 Ca -0.01 0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.62 2hva s SER 132 Cb -0.14 -1.57 -0.01 0.00 0.10 0.00 0.00 66.02 64.40 2hva s SER 132 CO 0.02 0.34 -0.16 0.28 0.98 0.00 0.00 173.24 174.70 2hva s THR 133 N -1.02 1.26 -0.16 2.02 -1.32 -1.24 -3.35 115.64 111.83 2hva s THR 133 Ca 0.17 -0.68 -0.00 0.00 -1.21 0.00 0.00 61.69 59.97 2hva s THR 133 Cb -0.12 -1.05 -0.00 0.00 -1.51 0.00 0.00 72.50 69.82 2hva s THR 133 CO 0.07 0.36 -0.15 -1.58 -2.21 0.00 0.00 174.62 171.11 2hva s GLN 134 N -0.34 3.22 0.33 7.08 0.74 -1.26 -3.56 119.66 125.88 2hva s GLN 134 Ca 0.05 -0.74 0.03 0.00 0.05 0.00 0.00 55.36 54.76 2hva s GLN 134 Cb -0.07 -2.65 -0.01 0.00 1.10 0.00 0.00 33.01 31.38 2hva s GLN 134 CO -0.00 -0.00 0.13 1.97 -0.55 0.00 0.00 175.29 176.83 2hva n PHE 135 N 4.11 0.08 -5.04 1.67 1.16 -1.19 -4.69 117.46 113.56 2hva n PHE 135 Ca -0.19 -2.17 -0.32 0.00 -1.87 0.00 0.00 57.45 52.89 2hva n PHE 135 Cb 0.52 0.01 -0.16 0.00 -1.61 0.00 0.00 39.48 38.23 2hva n PHE 135 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 2hva s GLY 136 N -3.07 1.42 0.00 4.97 0.00 -1.26 -3.86 107.32 105.51 2hva s GLY 136 Ca 0.18 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.96 2hva s GLY 136 CO 0.13 -0.29 0.00 0.61 0.00 0.00 0.00 173.10 173.55 2hva n GLY 137 N 3.49 1.01 3.97 0.20 0.00 -1.26 -5.06 105.19 107.54 2hva n GLY 137 Ca -0.19 -1.95 -0.21 0.00 0.00 0.00 0.00 46.02 43.67 2hva n GLY 137 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hva s TYR 138 N -1.24 3.05 -0.30 1.61 1.51 -1.26 -4.62 117.35 116.09 2hva s TYR 138 Ca 0.00 0.05 -0.18 0.00 -1.01 0.00 0.00 57.07 55.93 2hva s TYR 138 Cb 0.00 -2.44 0.19 0.00 -0.11 0.00 0.00 41.96 39.60 2hva s TYR 138 CO 0.00 -0.51 1.23 0.00 -1.11 0.00 0.00 175.55 175.16 2hva s ALA 139 N -2.58 -3.10 0.00 3.71 0.00 -1.26 -4.93 121.76 113.60 2hva s ALA 139 Ca 0.52 1.86 0.00 0.00 0.00 0.00 0.00 51.96 54.34 2hva s ALA 139 Cb -0.10 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.81 2hva s ALA 139 CO 0.37 -0.87 0.00 1.63 0.00 0.00 0.00 175.76 176.89 2hva n LYS 140 N 4.42 0.00 0.00 0.00 5.02 -1.26 -4.89 118.16 121.44 2hva n LYS 140 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2hva n LYS 140 Cb 0.55 -0.26 0.00 0.00 -0.02 0.00 0.00 35.03 35.31 2hva n LYS 140 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2hva n GLU 141 N -2.15 0.00 0.06 1.97 0.00 -1.26 -4.73 120.64 114.54 2hva n GLU 141 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.08 2hva n GLU 141 Cb 0.00 -0.13 0.06 0.00 0.00 0.00 0.00 31.44 31.38 2hva n GLU 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2hva h ALA 142 N 0.00 0.69 -0.24 -1.84 0.00 -1.99 -2.83 119.26 113.05 2hva h ALA 142 Ca 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.21 2hva h ALA 142 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2hva h ALA 142 CO 0.00 0.76 -0.34 -0.44 0.00 0.00 0.00 179.25 179.23 2hva h ASP 143 N 0.23 0.53 -0.65 0.00 3.32 -1.93 -2.78 116.42 115.12 2hva h ASP 143 Ca -0.02 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 56.76 2hva h ASP 143 Cb 1.24 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 2hva h ASP 143 CO 0.11 0.83 0.18 1.88 -1.72 0.00 0.00 179.24 180.52 2hva h TYR 144 N 0.43 1.10 -0.97 4.55 0.05 -1.83 -1.90 116.97 118.41 2hva h TYR 144 Ca 0.05 -0.12 0.15 0.00 0.05 0.00 0.00 58.73 58.86 2hva h TYR 144 Cb 0.80 -0.32 -0.08 0.00 1.01 0.00 0.00 36.73 38.14 2hva h TYR 144 CO 0.03 0.89 0.61 0.28 -1.05 0.00 0.00 178.16 178.92 2hva h VAL 145 N 1.01 0.84 -0.21 -2.88 2.07 -1.25 0.78 116.25 116.61 2hva h VAL 145 Ca 0.22 -0.28 -0.18 0.00 0.82 0.00 0.00 66.70 67.27 2hva h VAL 145 Cb 0.34 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2hva h VAL 145 CO -0.00 0.15 -0.60 0.00 0.02 0.00 0.00 177.57 177.14 2hva h ALA 146 N 1.58 0.53 -0.27 1.67 0.00 -1.34 -2.67 119.26 118.77 2hva h ALA 146 Ca 0.50 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2hva h ALA 146 Cb 0.68 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2hva h ALA 146 CO -0.27 0.69 -0.30 0.45 0.00 0.00 0.00 179.25 179.83 2hva h HIS 147 N 0.53 0.82 -0.28 0.00 -0.00 -0.09 -2.80 115.15 113.34 2hva h HIS 147 Ca -0.00 -0.25 -0.01 0.00 -0.00 0.00 0.00 60.37 60.10 2hva h HIS 147 Cb 1.19 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 28.41 2hva h HIS 147 CO 0.06 0.99 0.12 0.00 -0.00 0.00 0.00 177.93 179.11 2hva h ALA 148 N 0.69 1.70 -0.49 2.45 0.00 0.43 -1.94 119.26 122.09 2hva h ALA 148 Ca 0.04 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2hva h ALA 148 Cb 0.87 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2hva h ALA 148 CO 0.07 0.25 -0.17 1.15 0.00 0.00 0.00 179.25 180.55 2hva h THR 149 N 0.38 1.27 -0.37 0.00 2.02 -1.33 -2.75 112.91 112.13 2hva h THR 149 Ca 0.10 -1.32 -0.00 0.00 0.77 0.00 0.00 66.41 65.95 2hva h THR 149 Cb 0.06 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 2hva h THR 149 CO -0.01 0.46 0.21 1.56 0.37 0.00 0.00 175.52 178.11 2hva h GLN 150 N 0.85 0.51 -0.92 6.66 4.20 -1.10 -1.79 115.11 123.52 2hva h GLN 150 Ca 0.12 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.82 2hva h GLN 150 Cb 0.73 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.36 2hva h GLN 150 CO 0.06 0.40 0.60 1.25 -0.67 0.00 0.00 178.83 180.47 2hva h LEU 151 N 0.47 0.97 -0.56 1.46 5.85 -1.40 0.15 115.31 122.25 2hva h LEU 151 Ca 0.13 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 2hva h LEU 151 Cb 0.03 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2hva h LEU 151 CO -0.02 0.65 0.17 -0.09 -0.34 0.00 0.00 178.44 178.80 2hva h ARG 152 N 1.11 0.87 -0.30 1.25 2.43 -1.14 -2.64 114.38 115.96 2hva h ARG 152 Ca 0.37 -0.19 -0.13 0.00 -0.81 0.00 0.00 59.98 59.22 2hva h ARG 152 Cb 0.08 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2hva h ARG 152 CO -0.12 0.79 -0.36 1.15 -1.51 0.00 0.00 179.97 179.92 2hva h THR 153 N 0.78 1.29 -0.92 0.20 2.02 -0.51 -2.99 112.91 112.77 2hva h THR 153 Ca 0.18 -1.51 0.06 0.00 0.77 0.00 0.00 66.41 65.91 2hva h THR 153 Cb 0.29 1.44 -0.06 0.00 -1.74 0.00 0.00 68.15 68.08 2hva h THR 153 CO -0.00 0.49 0.60 0.74 0.37 0.00 0.00 175.52 177.72 2hva h THR 154 N 0.57 1.08 0.00 3.16 2.02 -0.48 -0.20 112.91 119.07 2hva h THR 154 Ca 0.06 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 2hva h THR 154 Cb 0.88 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2hva h THR 154 CO 0.08 0.20 -0.17 -0.07 0.37 0.00 0.00 175.52 175.92 2hva h LEU 155 N 1.07 0.00 -8.20 2.58 3.38 -1.34 -3.44 115.31 109.36 2hva h LEU 155 Ca 0.39 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 58.00 2hva h LEU 155 Cb 0.17 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 2hva h LEU 155 CO -0.15 0.17 1.48 1.21 0.09 0.00 0.00 178.44 181.24 2hva n GLU 156 N -3.28 0.34 0.00 1.13 0.00 -0.09 -0.97 120.64 117.76 2hva n GLU 156 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 57.16 57.01 2hva n GLU 156 Cb 0.43 -2.22 0.00 0.00 0.00 0.00 0.00 31.44 29.65 2hva n GLU 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hva n GLY 157 N 6.18 1.69 3.16 8.31 0.00 -1.26 -5.07 105.19 118.20 2hva n GLY 157 Ca 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.49 2hva n GLY 157 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hva s THR 158 N -2.00 0.12 -0.59 2.61 -4.23 -0.15 -5.03 115.64 106.38 2hva s THR 158 Ca 0.00 -1.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.68 2hva s THR 158 Cb 0.00 -0.94 0.17 0.00 1.34 0.00 0.00 72.50 73.06 2hva s THR 158 CO 0.00 -0.55 1.52 -0.81 -0.54 0.00 0.00 174.62 174.24 2hva n PRO 159 N 0.65 0.11 -0.72 3.99 -0.04 -1.26 -4.79 135.00 132.95 2hva n PRO 159 Ca -0.19 0.47 -0.32 0.00 -0.04 0.00 0.00 63.50 63.43 2hva n PRO 159 Cb 0.59 -1.76 0.16 0.00 -0.04 0.00 0.00 33.50 32.45 2hva n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hva n ALA 160 N -1.67 -1.15 -2.40 0.55 0.00 -1.26 -5.05 120.51 109.52 2hva n ALA 160 Ca 0.01 -0.56 -0.10 0.00 0.00 0.00 0.00 53.44 52.79 2hva n ALA 160 Cb 0.12 -2.12 -0.10 0.00 0.00 0.00 0.00 19.45 17.34 2hva n ALA 160 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2hva s THR 161 N -2.57 0.45 0.06 0.00 2.01 -1.26 -5.06 115.64 109.27 2hva s THR 161 Ca 0.65 -1.58 -0.19 0.00 0.31 0.00 0.00 61.69 60.88 2hva s THR 161 Cb -0.23 -1.22 0.04 0.00 0.01 0.00 0.00 72.50 71.11 2hva s THR 161 CO 0.60 -0.76 0.45 -0.72 -0.69 0.00 0.00 174.62 173.50 2hva s TYR 162 N -2.94 -0.31 -0.08 4.92 1.13 -1.26 -3.92 117.35 114.89 2hva s TYR 162 Ca 0.02 0.25 -0.01 0.00 -1.41 0.00 0.00 57.07 55.92 2hva s TYR 162 Cb 0.01 0.28 -0.01 0.00 -1.10 0.00 0.00 41.96 41.14 2hva s TYR 162 CO -0.05 -0.63 0.05 1.96 -2.51 0.00 0.00 175.55 174.37 2hva h GLN 163 N 2.79 -0.03 0.00 -3.49 1.08 0.47 -3.39 115.11 112.53 2hva h GLN 163 Ca -0.32 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 2hva h GLN 163 Cb 1.22 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 2hva h GLN 163 CO 0.43 -0.02 0.00 0.41 -0.95 0.00 0.00 178.83 178.70 2hva n GLY 164 N 1.72 2.60 0.10 3.46 0.00 -1.26 -4.86 105.19 106.95 2hva n GLY 164 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 2hva n GLY 164 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2hva h ASP 165 N 0.00 0.00 -1.73 1.61 1.82 -1.95 -3.46 116.42 112.72 2hva h ASP 165 Ca 0.00 0.00 0.09 0.00 -0.39 0.00 0.00 57.03 56.73 2hva h ASP 165 Cb 0.00 0.00 -0.20 0.00 0.68 0.00 0.00 39.33 39.81 2hva h ASP 165 CO 0.00 0.75 -0.13 0.54 -1.61 0.00 0.00 179.24 178.79 2hva s VAL 166 N -2.83 -0.96 0.43 2.25 0.11 -1.26 -4.08 120.40 114.05 2hva s VAL 166 Ca 0.02 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.13 2hva s VAL 166 Cb 0.09 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.87 2hva s VAL 166 CO 0.79 0.00 0.04 -0.72 -3.33 0.00 0.00 175.10 171.88 2hva s TYR 167 N 2.87 2.42 -0.05 1.54 1.13 -1.18 -4.31 117.35 119.77 2hva s TYR 167 Ca -0.01 -0.70 0.03 0.00 -1.41 0.00 0.00 57.07 54.98 2hva s TYR 167 Cb -0.12 -1.78 -0.03 0.00 -1.10 0.00 0.00 41.96 38.93 2hva s TYR 167 CO -0.19 0.37 -0.12 0.71 -2.51 0.00 0.00 175.55 173.80 2hva s TYR 168 N -2.72 2.76 0.06 -3.49 2.02 -0.79 -1.86 117.35 113.34 2hva s TYR 168 Ca 0.31 -0.11 0.05 0.00 -0.37 0.00 0.00 57.07 56.96 2hva s TYR 168 Cb 0.08 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.95 2hva s TYR 168 CO 0.16 0.23 -0.08 0.00 -1.57 0.00 0.00 175.55 174.30 2hva s ALA 170 N -1.13 0.95 0.00 0.00 0.00 0.12 -1.93 121.76 119.76 2hva s ALA 170 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.92 2hva s ALA 170 Cb -0.11 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.46 2hva s ALA 170 CO 0.12 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.23 2hva n GLY 171 N 4.16 1.35 2.79 0.00 0.00 -1.23 -0.62 105.19 111.65 2hva n GLY 171 Ca -0.21 0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 2hva n GLY 171 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2hva s TYR 172 N 0.00 1.68 -0.14 1.61 5.04 -1.26 -5.01 117.35 119.27 2hva s TYR 172 Ca 0.00 -1.46 -0.29 0.00 -2.44 0.00 0.00 57.07 52.88 2hva s TYR 172 Cb 0.00 -1.47 0.09 0.00 0.35 0.00 0.00 41.96 40.93 2hva s TYR 172 CO 0.00 -0.76 0.79 0.16 -1.34 0.00 0.00 175.55 174.40 2hva s ASP 173 N 1.63 -0.59 -0.04 4.32 -4.77 -1.26 -4.99 116.67 110.97 2hva s ASP 173 Ca 0.02 0.81 -0.30 0.00 -3.30 0.00 0.00 52.55 49.79 2hva s ASP 173 Cb -0.18 0.71 -0.04 0.00 -1.09 0.00 0.00 42.92 42.32 2hva s ASP 173 CO -0.14 -0.44 1.23 -2.16 0.70 0.00 0.00 175.17 174.37 2hva s PRO 174 N -0.72 4.34 -0.76 2.11 0.04 -1.26 -4.91 135.00 133.84 2hva s PRO 174 Ca -0.05 1.72 -0.24 0.00 0.04 0.00 0.00 61.00 62.47 2hva s PRO 174 Cb -0.02 -3.55 -0.16 0.00 0.04 0.00 0.00 34.50 30.81 2hva s PRO 174 CO 0.05 -0.46 2.41 -2.30 0.04 0.00 0.00 177.00 176.74 2hva n PRO 175 N 5.16 0.53 -0.00 0.56 -0.02 -1.26 -4.66 135.00 135.32 2hva n PRO 175 Ca 0.11 -0.34 -0.02 0.00 -2.02 0.00 0.00 63.50 61.24 2hva n PRO 175 Cb 0.46 -2.86 -0.01 0.00 -0.02 0.00 0.00 33.50 31.07 2hva n PRO 175 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2hva n MET 176 N 8.25 0.09 -4.27 -0.52 1.56 -1.26 -5.09 117.12 115.89 2hva n MET 176 Ca 0.50 0.04 -0.21 0.00 -0.27 0.00 0.00 57.70 57.76 2hva n MET 176 Cb 0.36 -0.50 -0.12 0.00 2.15 0.00 0.00 33.22 35.11 2hva n MET 176 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 2hva s LYS 177 N -1.64 0.99 0.04 2.12 -2.85 -1.26 -5.07 119.74 112.06 2hva s LYS 177 Ca -0.05 -1.01 -0.27 0.00 -1.00 0.00 0.00 55.97 53.64 2hva s LYS 177 Cb 0.01 -1.10 -0.17 0.00 -2.06 0.00 0.00 37.83 34.50 2hva s LYS 177 CO 0.08 0.26 1.42 -1.00 0.10 0.00 0.00 175.35 176.20 2hva h PRO 178 N 4.33 -0.45 -5.39 1.78 0.13 -1.98 -3.41 132.00 127.01 2hva h PRO 178 Ca -0.43 0.03 -0.65 0.00 -0.87 0.00 0.00 66.00 64.08 2hva h PRO 178 Cb 1.18 0.10 -0.15 0.00 0.13 0.00 0.00 31.00 32.26 2hva h PRO 178 CO 0.41 -0.19 0.17 0.71 -0.23 0.00 0.00 178.00 178.87 2hva s TYR 179 N -5.25 3.03 0.00 1.56 1.51 -1.26 -4.45 117.35 112.48 2hva s TYR 179 Ca -0.15 -0.13 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 2hva s TYR 179 Cb 0.03 -3.48 0.00 0.00 -0.11 0.00 0.00 41.96 38.40 2hva s TYR 179 CO 0.59 -0.96 0.00 0.41 -1.11 0.00 0.00 175.55 174.48 2hva n GLY 180 N 5.07 -0.35 3.81 0.71 0.00 -1.26 -5.15 105.19 108.01 2hva n GLY 180 Ca -0.02 0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 2hva n GLY 180 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hva s ARG 181 N 0.00 2.51 0.00 1.61 6.06 -1.26 -5.14 118.95 122.73 2hva s ARG 181 Ca 0.00 -1.50 -0.02 0.00 -2.50 0.00 0.00 55.73 51.71 2hva s ARG 181 Cb 0.00 -2.30 -0.01 0.00 0.06 0.00 0.00 34.95 32.70 2hva s ARG 181 CO 0.00 -0.01 0.02 1.03 -2.50 0.00 0.00 175.30 173.85 2hva s ARG 182 N -3.98 0.24 0.22 5.12 3.00 -1.26 -4.53 118.95 117.77 2hva s ARG 182 Ca 0.42 -0.32 0.07 0.00 0.00 0.00 0.00 55.73 55.90 2hva s ARG 182 Cb -0.03 0.09 -0.04 0.00 0.00 0.00 0.00 34.95 34.97 2hva s ARG 182 CO 0.25 -0.04 0.09 -0.80 0.00 0.00 0.00 175.30 174.80 2hva s ASN 183 N -0.88 5.08 -0.00 0.23 0.01 -1.25 -4.83 114.94 113.30 2hva s ASN 183 Ca -0.10 -0.37 -0.02 0.00 -0.71 0.00 0.00 52.86 51.66 2hva s ASN 183 Cb -0.06 -1.17 -0.00 0.00 0.41 0.00 0.00 41.25 40.43 2hva s ASN 183 CO -0.00 0.02 0.04 -1.83 -1.51 0.00 0.00 177.10 173.81 2hva s GLU 184 N -3.48 0.18 -0.08 -0.60 -1.05 0.21 -3.17 118.70 110.71 2hva s GLU 184 Ca 0.31 -0.19 0.00 0.00 -0.15 0.00 0.00 54.97 54.94 2hva s GLU 184 Cb -0.08 0.07 0.02 0.00 -0.44 0.00 0.00 34.13 33.70 2hva s GLU 184 CO 0.22 -0.03 -0.06 0.08 0.95 0.00 0.00 175.26 176.41 2hva s VAL 185 N -0.59 0.80 -0.07 1.83 1.01 -1.23 0.12 120.40 122.27 2hva s VAL 185 Ca -0.07 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.75 2hva s VAL 185 Cb -0.04 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.51 2hva s VAL 185 CO -0.00 0.31 -0.22 -1.66 0.00 0.00 0.00 175.10 173.53 2hva s TRP 186 N 1.33 2.24 0.02 5.22 1.48 -0.72 -3.79 118.94 124.72 2hva s TRP 186 Ca -0.03 -0.80 -0.16 0.00 -1.06 0.00 0.00 56.10 54.05 2hva s TRP 186 Cb -0.14 -1.50 -0.06 0.00 -1.16 0.00 0.00 33.47 30.61 2hva s TRP 186 CO -0.03 -0.30 0.45 -0.51 -4.06 0.00 0.00 176.95 172.50 2hva s LEU 187 N 0.19 4.48 0.08 -4.66 1.43 -1.24 -1.88 118.68 117.08 2hva s LEU 187 Ca -0.12 1.03 -0.30 0.00 -1.03 0.00 0.00 54.13 53.71 2hva s LEU 187 Cb -0.15 -2.68 -0.06 0.00 0.03 0.00 0.00 46.19 43.33 2hva s LEU 187 CO 0.06 0.31 1.17 -0.69 0.23 0.00 0.00 176.35 177.42 2hva s VAL 188 N -1.10 4.05 0.64 -1.59 1.01 -1.26 -3.74 120.40 118.40 2hva s VAL 188 Ca 0.25 1.52 -0.16 0.00 0.00 0.00 0.00 61.98 63.59 2hva s VAL 188 Cb -0.17 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 2hva s VAL 188 CO 0.15 0.14 1.12 -0.75 0.00 0.00 0.00 175.10 175.76 2hva s LYS 189 N 0.79 2.87 0.00 2.72 2.20 0.27 0.10 119.74 128.69 2hva s LYS 189 Ca 0.57 1.44 0.03 0.00 -0.36 0.00 0.00 55.97 57.64 2hva s LYS 189 Cb -0.29 -1.96 0.02 0.00 -1.51 0.00 0.00 37.83 34.10 2hva s LYS 189 CO 0.30 -1.21 0.60 0.00 -0.36 0.00 0.00 175.35 174.68