#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hi6 s LYS 2 N 0.00 4.17 0.23 5.55 1.02 -1.26 -0.80 119.74 128.64 2hi6 s LYS 2 Ca 0.00 0.35 0.10 0.00 0.02 0.00 0.00 55.97 56.44 2hi6 s LYS 2 Cb 0.00 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.90 2hi6 s LYS 2 CO 0.00 0.36 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.54 2hi6 s PHE 3 N 0.00 2.10 -0.26 3.18 0.08 0.13 -4.99 117.98 118.22 2hi6 s PHE 3 Ca 0.23 -0.41 -0.05 0.00 0.12 0.00 0.00 56.93 56.82 2hi6 s PHE 3 Cb -0.15 -0.97 0.00 0.00 -0.57 0.00 0.00 43.02 41.33 2hi6 s PHE 3 CO 0.10 0.54 0.01 0.00 -0.10 0.00 0.00 175.22 175.77 2hi6 s ALA 4 N -2.34 2.93 0.45 5.36 0.00 -1.26 -1.71 121.76 125.18 2hi6 s ALA 4 Ca 0.24 -1.33 0.05 0.00 0.00 0.00 0.00 51.96 50.93 2hi6 s ALA 4 Cb -0.05 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 21.10 2hi6 s ALA 4 CO 0.11 -0.70 0.02 0.00 0.00 0.00 0.00 175.76 175.19 2hi6 s ARG 6 N -3.78 3.75 0.04 0.00 3.52 0.70 -4.24 118.95 118.94 2hi6 s ARG 6 Ca 0.25 -0.37 -0.25 0.00 -0.13 0.00 0.00 55.73 55.23 2hi6 s ARG 6 Cb 0.07 -3.10 -0.05 0.00 -1.56 0.00 0.00 34.95 30.31 2hi6 s ARG 6 CO 0.13 0.36 0.78 0.00 -0.81 0.00 0.00 175.30 175.76 2hi6 s ALA 7 N 0.11 3.35 -0.12 6.12 0.00 -1.26 -0.47 121.76 129.48 2hi6 s ALA 7 Ca 0.04 0.29 -0.07 0.00 0.00 0.00 0.00 51.96 52.22 2hi6 s ALA 7 Cb -0.12 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 2hi6 s ALA 7 CO 0.01 0.04 -0.17 -0.89 0.00 0.00 0.00 175.76 174.75 2hi6 n ILE 8 N 2.93 0.81 -2.72 0.00 -0.00 -1.15 -4.94 119.36 114.28 2hi6 n ILE 8 Ca -0.02 -0.12 -0.22 0.00 -0.00 0.00 0.00 62.75 62.39 2hi6 n ILE 8 Cb 0.50 -1.72 0.09 0.00 -0.00 0.00 0.00 39.64 38.52 2hi6 n ILE 8 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 2hi6 s THR 9 N -2.27 2.14 0.44 1.39 2.01 -1.01 -5.00 115.64 113.34 2hi6 s THR 9 Ca -0.18 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.14 2hi6 s THR 9 Cb 0.06 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 2hi6 s THR 9 CO 0.23 0.00 0.03 -0.13 -0.69 0.00 0.00 174.62 174.06 2hi6 s ARG 10 N -5.00 2.01 0.18 4.92 1.81 -1.26 -4.47 118.95 117.14 2hi6 s ARG 10 Ca 0.65 -2.22 0.00 0.00 -1.72 0.00 0.00 55.73 52.44 2hi6 s ARG 10 Cb -0.05 -1.32 0.00 0.00 -0.45 0.00 0.00 34.95 33.12 2hi6 s ARG 10 CO 0.43 -0.27 0.00 0.41 -0.68 0.00 0.00 175.30 175.19 2hi6 n GLY 11 N -1.04 -1.82 3.37 -3.53 0.00 -1.26 -4.68 105.19 96.22 2hi6 n GLY 11 Ca -0.11 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.67 2hi6 n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hi6 s ARG 12 N 0.00 1.47 -0.17 1.61 0.52 -1.26 -1.25 118.95 119.87 2hi6 s ARG 12 Ca 0.00 -1.26 -0.01 0.00 -0.52 0.00 0.00 55.73 53.94 2hi6 s ARG 12 Cb 0.00 -1.86 0.04 0.00 0.52 0.00 0.00 34.95 33.65 2hi6 s ARG 12 CO 0.00 0.45 -0.05 0.00 0.02 0.00 0.00 175.30 175.72 2hi6 s ALA 13 N -1.00 1.49 -0.08 2.13 0.00 0.13 -4.91 121.76 119.53 2hi6 s ALA 13 Ca 0.13 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 2hi6 s ALA 13 Cb -0.10 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 21.90 2hi6 s ALA 13 CO 0.05 -0.83 -0.03 -2.00 0.00 0.00 0.00 175.76 172.95 2hi6 s GLU 14 N 1.63 0.91 0.00 0.00 -6.30 -1.26 0.92 118.70 114.60 2hi6 s GLU 14 Ca 0.00 -0.04 0.00 0.00 -2.50 0.00 0.00 54.97 52.44 2hi6 s GLU 14 Cb -0.16 -1.12 0.00 0.00 0.00 0.00 0.00 34.13 32.86 2hi6 s GLU 14 CO -0.08 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.37 2hi6 n GLY 15 N 4.86 -1.55 3.75 -1.50 0.00 -0.39 -4.92 105.19 105.44 2hi6 n GLY 15 Ca -0.12 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 2hi6 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hi6 s GLU 16 N -1.34 4.50 -0.23 1.61 8.01 -1.26 -0.66 118.70 129.33 2hi6 s GLU 16 Ca 0.00 1.96 -0.15 0.00 0.01 0.00 0.00 54.97 56.79 2hi6 s GLU 16 Cb 0.00 -3.17 -0.04 0.00 -4.31 0.00 0.00 34.13 26.61 2hi6 s GLU 16 CO 0.00 -0.02 0.37 0.00 0.01 0.00 0.00 175.26 175.63 2hi6 s ALA 17 N -0.76 3.57 -0.20 5.21 0.00 0.68 -0.41 121.76 129.85 2hi6 s ALA 17 Ca 0.49 -0.67 -0.07 0.00 0.00 0.00 0.00 51.96 51.71 2hi6 s ALA 17 Cb -0.35 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 2hi6 s ALA 17 CO 0.43 -0.44 0.06 -0.51 0.00 0.00 0.00 175.76 175.30 2hi6 s LEU 18 N 1.61 3.66 -0.13 0.00 1.02 0.91 -0.30 118.68 125.44 2hi6 s LEU 18 Ca 0.17 -0.02 -0.06 0.00 0.02 0.00 0.00 54.13 54.23 2hi6 s LEU 18 Cb -0.15 -1.94 -0.04 0.00 0.02 0.00 0.00 46.19 44.08 2hi6 s LEU 18 CO 0.08 0.11 0.10 0.54 0.02 0.00 0.00 176.35 177.20 2hi6 s VAL 19 N 0.74 5.14 -0.25 -1.59 0.11 -1.26 -0.24 120.40 123.04 2hi6 s VAL 19 Ca 0.03 0.07 -0.02 0.00 -2.93 0.00 0.00 61.98 59.13 2hi6 s VAL 19 Cb -0.13 -3.24 0.13 0.00 -1.53 0.00 0.00 36.38 31.60 2hi6 s VAL 19 CO 0.02 0.58 0.35 -0.89 -3.33 0.00 0.00 175.10 171.83 2hi6 s THR 20 N -0.67 -0.55 -1.14 5.04 2.01 -0.73 -4.91 115.64 114.69 2hi6 s THR 20 Ca 0.12 -0.14 -0.04 0.00 0.31 0.00 0.00 61.69 61.94 2hi6 s THR 20 Cb -0.12 -0.83 0.26 0.00 0.01 0.00 0.00 72.50 71.82 2hi6 s THR 20 CO 0.02 -0.19 1.80 0.29 -0.69 0.00 0.00 174.62 175.86 2hi6 n LYS 21 N 5.35 4.68 -4.03 4.92 5.02 -1.26 -4.36 118.16 128.48 2hi6 n LYS 21 Ca -0.03 -4.25 -0.08 0.00 -2.02 0.00 0.00 58.31 51.92 2hi6 n LYS 21 Cb 0.50 -2.58 -0.09 0.00 -0.02 0.00 0.00 35.03 32.83 2hi6 n LYS 21 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2hi6 s GLU 22 N -2.52 0.80 -1.17 1.97 0.41 -1.26 -5.04 118.70 111.89 2hi6 s GLU 22 Ca 0.39 -1.19 -0.15 0.00 -0.41 0.00 0.00 54.97 53.60 2hi6 s GLU 22 Cb 0.12 0.27 0.15 0.00 -1.78 0.00 0.00 34.13 32.90 2hi6 s GLU 22 CO -0.02 -0.22 1.43 0.71 -0.49 0.00 0.00 175.26 176.67 2hi6 s TYR 23 N -3.94 3.35 -0.32 1.61 2.02 -1.26 -4.60 117.35 114.21 2hi6 s TYR 23 Ca 0.11 -1.95 -0.07 0.00 -0.37 0.00 0.00 57.07 54.79 2hi6 s TYR 23 Cb 0.06 -4.37 0.02 0.00 -0.40 0.00 0.00 41.96 37.28 2hi6 s TYR 23 CO -0.07 -1.47 0.11 0.42 -1.57 0.00 0.00 175.55 172.98 2hi6 s ILE 24 N 2.09 3.99 -0.22 2.71 1.09 -1.26 -4.97 121.20 124.65 2hi6 s ILE 24 Ca 0.43 -0.89 0.00 0.00 -1.10 0.00 0.00 60.65 59.09 2hi6 s ILE 24 Cb -0.02 -3.17 0.20 0.00 -1.06 0.00 0.00 42.46 38.41 2hi6 s ILE 24 CO -0.01 -0.07 1.77 -1.20 -0.10 0.00 0.00 174.94 175.33 2hi6 n SER 25 N 4.87 5.15 0.00 3.58 7.64 -1.13 -4.52 113.62 129.21 2hi6 n SER 25 Ca -0.13 -2.80 0.00 0.00 1.01 0.00 0.00 58.87 56.95 2hi6 n SER 25 Cb 0.46 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 2hi6 n SER 25 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2hi6 n PHE 26 N 0.35 0.00 0.00 1.43 3.01 -1.26 -4.32 117.46 116.67 2hi6 n PHE 26 Ca 0.23 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.69 2hi6 n PHE 26 Cb 0.70 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.17 2hi6 n PHE 26 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2hi6 n LEU 27 N 0.00 0.00 -0.75 4.37 4.77 -1.26 -1.39 117.00 122.74 2hi6 n LEU 27 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2hi6 n LEU 27 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2hi6 n LEU 27 CO 0.00 0.00 0.28 0.61 -1.33 0.00 0.00 177.39 176.95 2hi6 n GLY 28 N 0.00 0.77 0.23 -0.72 0.00 -1.26 -4.95 105.19 99.26 2hi6 n GLY 28 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.10 2hi6 n GLY 28 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2hi6 h GLY 29 N 0.04 0.00 -5.92 -0.02 0.00 -1.64 -3.43 103.07 92.10 2hi6 h GLY 29 Ca -0.25 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.49 2hi6 h GLY 29 CO -0.12 0.00 -0.15 -0.42 0.00 0.00 0.00 176.54 175.85 2hi6 s ILE 30 N -3.55 5.19 -0.08 2.60 1.01 -1.26 -0.35 121.20 124.75 2hi6 s ILE 30 Ca 0.02 0.84 -0.30 0.00 0.00 0.00 0.00 60.65 61.22 2hi6 s ILE 30 Cb 0.09 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 2hi6 s ILE 30 CO 0.62 0.28 1.66 -0.62 0.00 0.00 0.00 174.94 176.88 2hi6 s ASP 31 N 0.82 6.60 0.00 3.58 2.15 0.12 -4.88 116.67 125.06 2hi6 s ASP 31 Ca 0.23 2.13 0.29 0.00 0.43 0.00 0.00 52.55 55.63 2hi6 s ASP 31 Cb -0.15 -2.53 1.54 0.00 -0.30 0.00 0.00 42.92 41.48 2hi6 s ASP 31 CO 0.09 -1.00 2.01 2.29 -0.17 0.00 0.00 175.17 178.40 2hi6 n LYS 32 N 7.24 1.22 -0.04 4.34 2.85 -1.26 -0.04 118.16 132.47 2hi6 n LYS 32 Ca 0.18 -0.32 -0.20 0.00 -1.05 0.00 0.00 58.31 56.92 2hi6 n LYS 32 Cb 0.43 -1.47 -0.13 0.00 -0.65 0.00 0.00 35.03 33.21 2hi6 n LYS 32 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2hi6 h GLU 33 N 0.76 0.13 0.00 -1.58 4.39 -1.96 -3.43 114.58 112.89 2hi6 h GLU 33 Ca 0.00 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.48 2hi6 h GLU 33 Cb 0.16 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2hi6 h GLU 33 CO 0.00 1.11 0.00 0.25 -1.16 0.00 0.00 179.01 179.21 2hi6 n THR 34 N -4.22 0.00 -2.11 1.13 -2.24 -1.22 -4.95 114.28 100.67 2hi6 n THR 34 Ca -0.23 -0.36 -0.03 0.00 -2.27 0.00 0.00 64.05 61.16 2hi6 n THR 34 Cb 0.74 1.13 -0.00 0.00 -2.10 0.00 0.00 70.33 70.10 2hi6 n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hi6 n GLY 35 N 0.39 0.28 3.64 3.38 0.00 0.94 -4.71 105.19 109.12 2hi6 n GLY 35 Ca 0.00 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 2hi6 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hi6 s ILE 36 N -2.23 5.34 -0.51 -0.61 -1.09 -1.21 -1.41 121.20 119.48 2hi6 s ILE 36 Ca 0.01 0.21 -0.27 0.00 -2.23 0.00 0.00 60.65 58.36 2hi6 s ILE 36 Cb -0.00 -3.52 -0.01 0.00 -1.58 0.00 0.00 42.46 37.35 2hi6 s ILE 36 CO 0.01 0.32 1.71 -0.69 -1.23 0.00 0.00 174.94 175.05 2hi6 s VAL 37 N 1.24 3.52 -0.36 2.92 1.01 -1.03 0.12 120.40 127.82 2hi6 s VAL 37 Ca 0.08 0.43 0.25 0.00 0.00 0.00 0.00 61.98 62.74 2hi6 s VAL 37 Cb -0.14 -4.00 0.35 0.00 0.00 0.00 0.00 36.38 32.59 2hi6 s VAL 37 CO 0.06 -0.83 1.66 0.11 0.00 0.00 0.00 175.10 176.11 2hi6 h LYS 38 N 13.18 0.00 -5.55 2.72 1.79 -1.04 -2.68 116.57 125.00 2hi6 h LYS 38 Ca -0.28 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.54 2hi6 h LYS 38 Cb 1.14 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.65 2hi6 h LYS 38 CO 1.15 0.00 0.21 -2.00 -1.08 0.00 0.00 179.45 177.73 2hi6 s GLU 39 N -3.27 3.34 0.21 3.15 2.56 -1.14 -4.90 118.70 118.65 2hi6 s GLU 39 Ca 0.06 -0.26 0.01 0.00 0.00 0.00 0.00 54.97 54.78 2hi6 s GLU 39 Cb 0.06 -3.94 -0.04 0.00 2.00 0.00 0.00 34.13 32.21 2hi6 s GLU 39 CO 0.65 -1.04 0.37 0.34 -0.56 0.00 0.00 175.26 175.03 2hi6 s ASP 40 N 2.04 6.36 0.00 -1.70 2.15 -1.26 -4.70 116.67 119.55 2hi6 s ASP 40 Ca 0.25 0.30 0.00 0.00 0.43 0.00 0.00 52.55 53.54 2hi6 s ASP 40 Cb -0.13 -1.97 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 2hi6 s ASP 40 CO 0.20 -0.05 0.00 0.00 -0.17 0.00 0.00 175.17 175.15 2hi6 n GLU 42 N -1.29 0.00 -0.27 0.00 -0.58 -1.26 -4.98 120.64 112.26 2hi6 n GLU 42 Ca 0.00 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 2hi6 n GLU 42 Cb 0.00 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 30.91 2hi6 n GLU 42 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2hi6 n ILE 43 N -3.25 0.57 -1.40 -3.67 -5.35 -1.26 -5.10 119.36 99.89 2hi6 n ILE 43 Ca 0.00 -0.67 -0.10 0.00 -0.27 0.00 0.00 62.75 61.71 2hi6 n ILE 43 Cb 0.00 0.39 0.07 0.00 -1.74 0.00 0.00 39.64 38.36 2hi6 n ILE 43 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2hi6 n LYS 44 N -0.41 -0.39 0.00 6.28 3.00 -1.26 -4.56 118.16 120.82 2hi6 n LYS 44 Ca 0.04 -0.73 0.00 0.00 -0.00 0.00 0.00 58.31 57.62 2hi6 n LYS 44 Cb 0.61 -0.46 0.00 0.00 0.00 0.00 0.00 35.03 35.19 2hi6 n LYS 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hi6 n GLY 45 N 2.01 0.49 4.01 3.14 0.00 -1.01 -4.92 105.19 108.90 2hi6 n GLY 45 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 2hi6 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hi6 s GLU 46 N -0.98 1.76 -0.09 1.61 0.41 -1.26 -4.68 118.70 115.47 2hi6 s GLU 46 Ca 0.00 -1.32 -0.17 0.00 -0.41 0.00 0.00 54.97 53.06 2hi6 s GLU 46 Cb 0.00 -2.41 -0.05 0.00 -1.78 0.00 0.00 34.13 29.89 2hi6 s GLU 46 CO 0.00 -1.36 0.45 -1.12 -0.49 0.00 0.00 175.26 172.74 2hi6 s SER 47 N -4.75 6.70 0.00 -0.19 0.01 -1.26 -2.47 113.70 111.73 2hi6 s SER 47 Ca 0.66 0.83 0.16 0.00 1.31 0.00 0.00 55.95 58.91 2hi6 s SER 47 Cb -0.05 -2.27 0.12 0.00 0.21 0.00 0.00 66.02 64.03 2hi6 s SER 47 CO 0.43 0.08 1.01 1.33 0.41 0.00 0.00 173.24 176.50 2hi6 n VAL 48 N 3.27 0.00 -1.80 3.43 0.24 -0.50 -4.81 118.33 118.16 2hi6 n VAL 48 Ca -0.09 -0.49 -0.31 0.00 -2.04 0.00 0.00 64.34 61.41 2hi6 n VAL 48 Cb 0.52 1.33 -0.04 0.00 -1.47 0.00 0.00 33.84 34.18 2hi6 n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hi6 s ALA 49 N -1.40 1.63 0.00 2.33 0.00 -1.24 -1.46 121.76 121.61 2hi6 s ALA 49 Ca 0.19 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2hi6 s ALA 49 Cb 0.14 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.85 2hi6 s ALA 49 CO 0.22 -4.61 0.00 0.41 0.00 0.00 0.00 175.76 171.78 2hi6 n GLY 50 N 6.20 0.60 3.58 0.00 0.00 -0.03 -4.93 105.19 110.61 2hi6 n GLY 50 Ca 0.34 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 2hi6 n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hi6 s ARG 51 N -1.55 1.91 -0.23 1.61 3.00 -0.54 -4.47 118.95 118.68 2hi6 s ARG 51 Ca 0.00 -1.93 -0.17 0.00 0.00 0.00 0.00 55.73 53.63 2hi6 s ARG 51 Cb 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 34.95 33.17 2hi6 s ARG 51 CO 0.00 0.09 0.44 0.42 0.00 0.00 0.00 175.30 176.26 2hi6 s ILE 52 N -2.61 5.14 -0.21 1.52 1.01 0.45 -0.01 121.20 126.48 2hi6 s ILE 52 Ca 0.34 0.77 -0.11 0.00 0.00 0.00 0.00 60.65 61.65 2hi6 s ILE 52 Cb 0.04 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 2hi6 s ILE 52 CO 0.18 0.18 0.17 -0.22 0.00 0.00 0.00 174.94 175.24 2hi6 s LEU 53 N 1.77 4.18 -0.23 2.97 2.96 0.82 -0.07 118.68 131.08 2hi6 s LEU 53 Ca 0.20 0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 54.29 2hi6 s LEU 53 Cb -0.15 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 2hi6 s LEU 53 CO 0.09 0.12 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.54 2hi6 s VAL 54 N 0.67 3.70 0.02 1.68 1.01 0.66 -1.63 120.40 126.51 2hi6 s VAL 54 Ca 0.09 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.72 2hi6 s VAL 54 Cb -0.12 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 2hi6 s VAL 54 CO 0.01 0.40 -0.10 -0.36 0.00 0.00 0.00 175.10 175.05 2hi6 s PHE 55 N 1.51 0.85 -0.02 5.22 0.08 -1.16 -1.78 117.98 122.68 2hi6 s PHE 55 Ca 0.06 -0.30 -0.23 0.00 0.12 0.00 0.00 56.93 56.58 2hi6 s PHE 55 Cb -0.15 -0.52 -0.16 0.00 -0.57 0.00 0.00 43.02 41.62 2hi6 s PHE 55 CO -0.01 -0.01 1.07 -1.35 -0.10 0.00 0.00 175.22 174.82 2hi6 h PRO 56 N 5.24 -0.29 0.00 0.24 0.11 -1.88 -3.05 132.00 132.38 2hi6 h PRO 56 Ca -0.34 0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.62 2hi6 h PRO 56 Cb 1.19 0.06 -0.14 0.00 0.11 0.00 0.00 31.00 32.23 2hi6 h PRO 56 CO 0.45 0.09 -0.32 0.41 -0.21 0.00 0.00 178.00 178.42 2hi6 n GLY 57 N 0.13 -0.47 0.25 -0.55 0.00 -1.26 -1.93 105.19 101.36 2hi6 n GLY 57 Ca -0.09 0.41 0.08 0.00 0.00 0.00 0.00 46.02 46.42 2hi6 n GLY 57 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2hi6 h GLY 58 N 3.50 0.00 -1.65 -0.02 0.00 -1.80 -3.46 103.07 99.64 2hi6 h GLY 58 Ca -0.18 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.33 2hi6 h GLY 58 CO 0.14 0.00 -0.51 1.17 0.00 0.00 0.00 176.54 177.34 2hi6 n LYS 59 N -4.37 -1.55 -3.83 4.80 4.81 -1.26 -2.84 118.16 113.92 2hi6 n LYS 59 Ca -0.03 1.21 -0.30 0.00 -0.87 0.00 0.00 58.31 58.32 2hi6 n LYS 59 Cb 0.15 -1.84 -0.14 0.00 0.02 0.00 0.00 35.03 33.22 2hi6 n LYS 59 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2hi6 s GLY 60 N -5.88 1.62 -0.72 3.14 0.00 -1.26 -4.14 107.32 100.08 2hi6 s GLY 60 Ca 0.00 -2.32 -0.17 0.00 0.00 0.00 0.00 44.72 42.23 2hi6 s GLY 60 CO 0.00 1.35 0.76 -0.56 0.00 0.00 0.00 173.10 174.65 2hi6 s SER 61 N 0.89 6.45 -1.30 1.64 0.01 -1.26 -4.55 113.70 115.57 2hi6 s SER 61 Ca 0.13 -2.00 -0.05 0.00 1.31 0.00 0.00 55.95 55.35 2hi6 s SER 61 Cb -0.21 -2.27 0.01 0.00 0.21 0.00 0.00 66.02 63.76 2hi6 s SER 61 CO -0.11 -0.89 1.03 0.41 0.41 0.00 0.00 173.24 174.08 2hi6 n THR 62 N 4.99 -4.36 0.11 1.44 -1.04 -1.26 -4.90 114.28 109.25 2hi6 n THR 62 Ca 0.03 -0.28 -0.18 0.00 -2.04 0.00 0.00 64.05 61.58 2hi6 n THR 62 Cb 0.45 -4.28 -0.15 0.00 -1.82 0.00 0.00 70.33 64.53 2hi6 n THR 62 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2hi6 h VAL 63 N -2.20 1.38 0.00 12.58 2.07 -1.89 -3.48 116.25 124.71 2hi6 h VAL 63 Ca -0.58 -2.92 0.00 0.00 0.82 0.00 0.00 66.70 64.01 2hi6 h VAL 63 Cb 1.36 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 34.07 2hi6 h VAL 63 CO 0.55 0.86 0.00 0.61 0.02 0.00 0.00 177.57 179.61 2hi6 n GLY 64 N 1.61 2.76 3.32 2.17 0.00 -1.26 -4.36 105.19 109.42 2hi6 n GLY 64 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2hi6 n GLY 64 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hi6 n SER 65 N 0.54 -0.77 0.15 1.61 7.64 -1.26 -4.81 113.62 116.72 2hi6 n SER 65 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2hi6 n SER 65 Cb 0.00 -1.36 0.23 0.00 -1.01 0.00 0.00 64.21 62.07 2hi6 n SER 65 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 2hi6 h TYR 66 N 0.00 0.00 0.00 1.43 -0.00 -1.96 -3.09 116.97 113.35 2hi6 h TYR 66 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.73 58.61 2hi6 h TYR 66 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.80 2hi6 h TYR 66 CO 0.05 0.54 -0.55 -0.24 -0.00 0.00 0.00 178.16 177.96 2hi6 h VAL 67 N 0.00 1.37 -0.48 -0.90 3.04 -1.87 -2.61 116.25 114.81 2hi6 h VAL 67 Ca -0.01 -1.90 -0.09 0.00 -1.01 0.00 0.00 66.70 63.70 2hi6 h VAL 67 Cb 0.95 2.03 -0.02 0.00 -2.01 0.00 0.00 31.29 32.25 2hi6 h VAL 67 CO 0.07 0.54 -0.06 -0.07 -1.01 0.00 0.00 177.57 177.04 2hi6 h LEU 68 N 0.00 0.88 -0.84 3.16 4.07 -1.88 0.50 115.31 121.20 2hi6 h LEU 68 Ca -0.01 -0.34 -0.10 0.00 0.08 0.00 0.00 57.88 57.52 2hi6 h LEU 68 Cb 0.98 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 2hi6 h LEU 68 CO 0.07 1.01 -0.21 0.25 -1.08 0.00 0.00 178.44 178.48 2hi6 h LEU 69 N 0.73 0.63 -0.21 1.67 5.85 -1.63 -1.76 115.31 120.59 2hi6 h LEU 69 Ca 0.13 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2hi6 h LEU 69 Cb 0.60 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2hi6 h LEU 69 CO 0.04 0.84 0.10 -1.13 -0.34 0.00 0.00 178.44 177.95 2hi6 h ASN 70 N 0.56 0.15 -0.98 1.25 -0.73 -1.05 -0.39 115.58 114.38 2hi6 h ASN 70 Ca 0.08 0.01 0.04 0.00 1.87 0.00 0.00 56.30 58.31 2hi6 h ASN 70 Cb 0.67 -0.02 -0.06 0.00 0.27 0.00 0.00 38.32 39.19 2hi6 h ASN 70 CO 0.05 0.11 0.64 -0.07 -0.37 0.00 0.00 177.43 177.79 2hi6 h LEU 71 N 0.22 1.06 -0.42 0.34 3.38 -0.61 -2.13 115.31 117.14 2hi6 h LEU 71 Ca 0.09 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2hi6 h LEU 71 Cb 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2hi6 h LEU 71 CO -0.07 0.71 -0.05 -0.09 0.09 0.00 0.00 178.44 179.04 2hi6 h ARG 72 N 1.22 0.77 0.00 1.13 1.12 -0.83 0.17 114.38 117.95 2hi6 h ARG 72 Ca 0.40 -0.27 -0.04 0.00 -1.11 0.00 0.00 59.98 58.96 2hi6 h ARG 72 Cb 0.03 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 29.93 2hi6 h ARG 72 CO -0.13 0.87 -0.19 0.87 -3.11 0.00 0.00 179.97 178.27 2hi6 h LYS 73 N 0.60 0.00 0.00 0.20 1.57 -0.64 -1.77 116.57 116.53 2hi6 h LYS 73 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2hi6 h LYS 73 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2hi6 h LYS 73 CO 0.03 0.19 -0.93 -1.71 -0.57 0.00 0.00 179.45 176.46 2hi6 n ASN 74 N -4.02 0.75 0.00 0.86 5.15 -0.84 -4.96 115.26 112.20 2hi6 n ASN 74 Ca -0.02 0.18 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 2hi6 n ASN 74 Cb 0.27 0.46 0.00 0.00 -0.53 0.00 0.00 39.78 39.98 2hi6 n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2hi6 n GLY 75 N 1.25 0.61 0.17 8.20 0.00 0.11 -4.94 105.19 110.59 2hi6 n GLY 75 Ca 0.01 -0.79 0.03 0.00 0.00 0.00 0.00 46.02 45.27 2hi6 n GLY 75 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hi6 n VAL 76 N -3.26 1.16 -2.21 1.61 0.24 0.35 -4.74 118.33 111.48 2hi6 n VAL 76 Ca 0.00 -1.19 -0.30 0.00 -2.04 0.00 0.00 64.34 60.81 2hi6 n VAL 76 Cb 0.28 0.38 -0.00 0.00 -1.47 0.00 0.00 33.84 33.03 2hi6 n VAL 76 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hi6 s ALA 77 N -1.30 3.17 0.59 2.33 0.00 -0.99 -4.01 121.76 121.55 2hi6 s ALA 77 Ca 0.10 -0.12 -0.20 0.00 0.00 0.00 0.00 51.96 51.74 2hi6 s ALA 77 Cb 0.07 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 2hi6 s ALA 77 CO 0.04 -0.47 1.29 -2.14 0.00 0.00 0.00 175.76 174.47 2hi6 s PRO 78 N -4.75 2.93 0.28 0.00 0.02 -1.20 -0.85 135.00 131.43 2hi6 s PRO 78 Ca 0.54 2.05 0.21 0.00 0.02 0.00 0.00 61.00 63.82 2hi6 s PRO 78 Cb -0.11 -2.04 0.11 0.00 0.02 0.00 0.00 34.50 32.48 2hi6 s PRO 78 CO 0.46 -1.30 1.27 -0.22 -0.33 0.00 0.00 177.00 176.88 2hi6 h LYS 79 N 1.03 0.00 -2.35 5.54 3.64 -0.58 -3.43 116.57 120.42 2hi6 h LYS 79 Ca -0.51 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.00 2hi6 h LYS 79 Cb 1.31 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 33.01 2hi6 h LYS 79 CO 0.55 0.12 0.47 0.00 -2.27 0.00 0.00 179.45 178.33 2hi6 s ALA 80 N -3.18 -1.75 -0.17 5.00 0.00 -1.15 -4.13 121.76 116.37 2hi6 s ALA 80 Ca 0.02 0.66 -0.04 0.00 0.00 0.00 0.00 51.96 52.60 2hi6 s ALA 80 Cb 0.08 0.53 0.09 0.00 0.00 0.00 0.00 23.12 23.81 2hi6 s ALA 80 CO 0.74 -0.82 0.26 -1.50 0.00 0.00 0.00 175.76 174.45 2hi6 s ILE 81 N -3.22 -0.41 -0.20 0.00 2.07 -1.10 -0.13 121.20 118.21 2hi6 s ILE 81 Ca 0.07 0.08 -0.05 0.00 -1.41 0.00 0.00 60.65 59.34 2hi6 s ILE 81 Cb -0.01 -0.59 -0.02 0.00 0.13 0.00 0.00 42.46 41.97 2hi6 s ILE 81 CO -0.05 -0.04 0.00 -0.63 -1.91 0.00 0.00 174.94 172.31 2hi6 s ILE 82 N 2.40 3.95 0.28 2.00 -1.09 -0.65 -3.34 121.20 124.75 2hi6 s ILE 82 Ca 0.05 -0.31 0.11 0.00 -2.23 0.00 0.00 60.65 58.27 2hi6 s ILE 82 Cb -0.14 -2.79 -0.05 0.00 -1.58 0.00 0.00 42.46 37.90 2hi6 s ILE 82 CO -0.11 0.42 -0.17 0.20 -1.23 0.00 0.00 174.94 174.05 2hi6 s ASN 83 N 1.04 3.47 0.09 3.58 0.02 -0.78 -2.98 114.94 119.38 2hi6 s ASN 83 Ca 0.02 -1.06 -0.09 0.00 -1.02 0.00 0.00 52.86 50.71 2hi6 s ASN 83 Cb -0.14 -0.28 -0.20 0.00 0.02 0.00 0.00 41.25 40.64 2hi6 s ASN 83 CO 0.02 -0.03 1.20 0.50 0.02 0.00 0.00 177.10 178.81 2hi6 h LYS 84 N 2.27 0.49 -2.90 -0.60 3.64 -1.33 0.35 116.57 118.49 2hi6 h LYS 84 Ca -0.40 -0.61 -0.07 0.00 -1.27 0.00 0.00 60.65 58.30 2hi6 h LYS 84 Cb 1.25 0.19 -0.16 0.00 -0.41 0.00 0.00 32.23 33.10 2hi6 h LYS 84 CO 0.62 1.24 -0.04 -1.59 -2.27 0.00 0.00 179.45 177.41 2hi6 s LYS 85 N -3.09 0.98 0.25 1.90 -2.85 -0.81 -4.41 119.74 111.70 2hi6 s LYS 85 Ca -0.07 -0.30 -0.02 0.00 -1.00 0.00 0.00 55.97 54.58 2hi6 s LYS 85 Cb 0.07 0.44 -0.03 0.00 -2.06 0.00 0.00 37.83 36.26 2hi6 s LYS 85 CO 0.90 -0.34 0.27 -0.08 0.10 0.00 0.00 175.35 176.20 2hi6 s THR 86 N -2.46 0.00 0.39 3.79 -1.32 -1.26 -4.23 115.64 110.55 2hi6 s THR 86 Ca -0.05 -1.82 0.08 0.00 -1.21 0.00 0.00 61.69 58.68 2hi6 s THR 86 Cb -0.01 -2.46 -0.03 0.00 -1.51 0.00 0.00 72.50 68.50 2hi6 s THR 86 CO -0.02 0.00 0.31 -1.61 -2.21 0.00 0.00 174.62 171.09 2hi6 s GLU 87 N -3.87 2.53 0.09 7.08 0.41 -1.26 -5.03 118.70 118.65 2hi6 s GLU 87 Ca 0.35 -1.51 -0.25 0.00 -0.41 0.00 0.00 54.97 53.14 2hi6 s GLU 87 Cb 0.04 -2.34 -0.13 0.00 -1.78 0.00 0.00 34.13 29.92 2hi6 s GLU 87 CO 0.15 -0.08 1.69 1.15 -0.49 0.00 0.00 175.26 177.69 2hi6 h THR 88 N 1.18 0.74 -0.01 3.63 2.02 -2.00 -2.82 112.91 115.66 2hi6 h THR 88 Ca -0.43 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 2hi6 h THR 88 Cb 1.26 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 2hi6 h THR 88 CO 0.60 0.00 -0.17 0.16 0.37 0.00 0.00 175.52 176.47 2hi6 h ILE 89 N -0.28 1.13 -0.32 3.11 3.07 -1.97 -0.87 117.51 121.38 2hi6 h ILE 89 Ca -0.00 -0.60 -0.03 0.00 1.55 0.00 0.00 64.86 65.77 2hi6 h ILE 89 Cb 0.25 1.32 -0.01 0.00 -0.27 0.00 0.00 36.82 38.10 2hi6 h ILE 89 CO -0.01 0.17 0.06 0.40 -1.05 0.00 0.00 178.15 177.72 2hi6 h ILE 90 N 0.01 1.23 -0.14 0.16 1.08 -1.87 0.10 117.51 118.07 2hi6 h ILE 90 Ca 0.00 -0.78 -0.01 0.00 -0.39 0.00 0.00 64.86 63.68 2hi6 h ILE 90 Cb 0.31 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 2hi6 h ILE 90 CO 0.02 0.26 0.04 0.00 -0.69 0.00 0.00 178.15 177.78 2hi6 h ALA 91 N 0.90 0.19 -0.31 1.87 0.00 -1.16 -1.75 119.26 119.00 2hi6 h ALA 91 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2hi6 h ALA 91 Cb 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2hi6 h ALA 91 CO 0.00 -0.18 0.17 0.28 0.00 0.00 0.00 179.25 179.52 2hi6 h VAL 92 N 0.04 1.14 -0.50 0.00 2.07 -1.11 0.40 116.25 118.29 2hi6 h VAL 92 Ca 0.05 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 2hi6 h VAL 92 Cb 0.25 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2hi6 h VAL 92 CO 0.00 0.14 0.20 1.23 0.02 0.00 0.00 177.57 179.16 2hi6 h GLY 93 N 0.38 0.79 1.50 2.17 0.00 -0.77 -2.67 103.07 104.48 2hi6 h GLY 93 Ca 0.11 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 46.84 2hi6 h GLY 93 CO -0.02 0.40 -0.63 0.00 0.00 0.00 0.00 176.54 176.29 2hi6 h ALA 94 N 1.05 0.64 -0.13 3.60 0.00 -1.19 -1.32 119.26 121.90 2hi6 h ALA 94 Ca 0.17 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2hi6 h ALA 94 Cb 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2hi6 h ALA 94 CO -0.01 0.72 0.08 0.00 0.00 0.00 0.00 179.25 180.03 2hi6 h ALA 95 N 0.94 1.90 0.22 0.00 0.00 -0.77 0.33 119.26 121.88 2hi6 h ALA 95 Ca -0.01 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.54 2hi6 h ALA 95 Cb 1.19 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.96 2hi6 h ALA 95 CO 0.12 0.09 -1.62 0.52 0.00 0.00 0.00 179.25 178.36 2hi6 h MET 96 N 0.17 0.47 -0.02 0.00 2.86 -1.25 -3.30 114.93 113.86 2hi6 h MET 96 Ca 0.05 -0.80 0.00 0.00 -2.06 0.00 0.00 59.70 56.88 2hi6 h MET 96 Cb -0.01 0.30 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2hi6 h MET 96 CO -0.01 1.38 0.00 0.00 1.06 0.00 0.00 176.91 179.34 2hi6 n ALA 97 N -2.79 2.55 -2.89 6.32 0.00 -0.52 -4.87 120.51 118.32 2hi6 n ALA 97 Ca -0.21 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 52.96 2hi6 n ALA 97 Cb 1.09 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 19.42 2hi6 n ALA 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2hi6 n GLU 98 N -0.58 -4.05 -3.63 0.00 1.02 0.08 -4.83 120.64 108.64 2hi6 n GLU 98 Ca 0.08 0.72 -0.38 0.00 -0.02 0.00 0.00 57.16 57.56 2hi6 n GLU 98 Cb 0.05 -5.20 -0.08 0.00 -0.02 0.00 0.00 31.44 26.20 2hi6 n GLU 98 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2hi6 s ILE 99 N -3.06 4.17 -0.05 -3.67 1.01 0.95 -4.93 121.20 115.62 2hi6 s ILE 99 Ca 0.25 -3.04 -0.31 0.00 0.00 0.00 0.00 60.65 57.56 2hi6 s ILE 99 Cb -0.11 -3.66 -0.09 0.00 0.01 0.00 0.00 42.46 38.61 2hi6 s ILE 99 CO 0.31 -0.94 2.01 -2.65 0.00 0.00 0.00 174.94 173.67 2hi6 n PRO 100 N 3.36 2.51 -4.99 2.79 -0.02 -1.26 -4.34 135.00 133.05 2hi6 n PRO 100 Ca 0.11 0.89 -0.31 0.00 -2.02 0.00 0.00 63.50 62.16 2hi6 n PRO 100 Cb 0.39 -2.95 -0.14 0.00 -0.02 0.00 0.00 33.50 30.78 2hi6 n PRO 100 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2hi6 s LEU 101 N 5.12 2.40 0.10 2.45 2.34 -1.26 -2.73 118.68 127.10 2hi6 s LEU 101 Ca 0.93 -0.39 0.00 0.00 0.06 0.00 0.00 54.13 54.73 2hi6 s LEU 101 Cb -0.49 -1.44 -0.04 0.00 -0.56 0.00 0.00 46.19 43.66 2hi6 s LEU 101 CO 0.43 0.31 -0.02 0.68 -1.06 0.00 0.00 176.35 176.69 2hi6 s VAL 102 N -0.74 0.40 -0.32 1.48 -7.23 -1.21 -2.41 120.40 110.38 2hi6 s VAL 102 Ca 0.12 -1.89 -0.14 0.00 -1.81 0.00 0.00 61.98 58.26 2hi6 s VAL 102 Cb -0.10 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 2hi6 s VAL 102 CO 0.01 -0.79 0.31 -1.61 -0.31 0.00 0.00 175.10 172.71 2hi6 s GLU 103 N -3.92 3.68 -0.32 4.82 2.02 0.37 -1.87 118.70 123.49 2hi6 s GLU 103 Ca 0.14 -0.37 -0.01 0.00 0.02 0.00 0.00 54.97 54.74 2hi6 s GLU 103 Cb 0.07 -3.76 0.07 0.00 0.10 0.00 0.00 34.13 30.60 2hi6 s GLU 103 CO -0.04 -0.42 0.03 0.54 0.02 0.00 0.00 175.26 175.39 2hi6 s VAL 104 N 1.93 2.93 -1.20 2.63 0.11 0.12 -0.22 120.40 126.70 2hi6 s VAL 104 Ca 0.10 -1.60 0.18 0.00 -2.93 0.00 0.00 61.98 57.73 2hi6 s VAL 104 Cb -0.16 -2.78 0.70 0.00 -1.53 0.00 0.00 36.38 32.61 2hi6 s VAL 104 CO 0.11 -0.25 1.61 -1.14 -3.33 0.00 0.00 175.10 172.10 2hi6 n ARG 105 N 4.57 3.63 -3.09 1.54 0.63 -1.26 -3.81 116.66 118.87 2hi6 n ARG 105 Ca -0.10 -2.78 -0.41 0.00 -0.92 0.00 0.00 57.85 53.65 2hi6 n ARG 105 Cb 0.43 -1.87 -0.06 0.00 0.45 0.00 0.00 32.46 31.40 2hi6 n ARG 105 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2hi6 s ASP 106 N -0.88 6.60 0.28 6.15 -1.08 -1.26 -4.95 116.67 121.53 2hi6 s ASP 106 Ca 0.50 0.74 0.02 0.00 -0.52 0.00 0.00 52.55 53.29 2hi6 s ASP 106 Cb 0.32 -2.35 0.40 0.00 -1.46 0.00 0.00 42.92 39.83 2hi6 s ASP 106 CO 0.24 -0.39 1.71 -0.08 0.52 0.00 0.00 175.17 177.18 2hi6 h GLU 107 N 7.87 0.49 0.00 4.34 4.81 -2.01 -2.95 114.58 127.13 2hi6 h GLU 107 Ca -0.26 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 58.75 2hi6 h GLU 107 Cb 1.12 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 2hi6 h GLU 107 CO 0.78 0.71 -0.14 0.87 -0.73 0.00 0.00 179.01 180.50 2hi6 h LYS 108 N 0.43 0.00 0.09 1.92 1.79 -1.98 -0.99 116.57 117.84 2hi6 h LYS 108 Ca 0.06 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2hi6 h LYS 108 Cb 0.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2hi6 h LYS 108 CO 0.05 0.14 -0.05 0.35 -1.08 0.00 0.00 179.45 178.87 2hi6 h PHE 109 N 0.00 -0.12 0.00 -1.35 3.57 -1.94 -1.61 116.94 115.49 2hi6 h PHE 109 Ca -0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 2hi6 h PHE 109 Cb 0.58 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 2hi6 h PHE 109 CO 0.00 0.02 -0.29 0.74 -2.23 0.00 0.00 178.31 176.56 2hi6 h PHE 110 N -0.24 0.00 0.00 0.41 0.04 -1.45 -1.66 116.94 114.04 2hi6 h PHE 110 Ca -0.01 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.61 2hi6 h PHE 110 Cb 0.20 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 2hi6 h PHE 110 CO -0.04 0.29 -0.72 0.93 -0.60 0.00 0.00 178.31 178.18 2hi6 h GLU 111 N 0.00 0.00 0.04 1.51 4.39 -1.07 -3.33 114.58 116.12 2hi6 h GLU 111 Ca -0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 2hi6 h GLU 111 Cb 0.71 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.32 2hi6 h GLU 111 CO 0.04 0.72 -1.92 0.00 -1.16 0.00 0.00 179.01 176.68 2hi6 n ALA 112 N -2.39 1.28 -2.13 3.43 0.00 -0.62 -4.92 120.51 115.16 2hi6 n ALA 112 Ca -0.01 -0.78 -0.39 0.00 0.00 0.00 0.00 53.44 52.26 2hi6 n ALA 112 Cb 0.71 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 2hi6 n ALA 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hi6 s VAL 113 N -2.57 4.52 0.32 0.00 0.11 -0.66 -5.07 120.40 117.05 2hi6 s VAL 113 Ca -0.13 1.60 0.06 0.00 -2.93 0.00 0.00 61.98 60.59 2hi6 s VAL 113 Cb 0.07 -4.09 -0.06 0.00 -1.53 0.00 0.00 36.38 30.77 2hi6 s VAL 113 CO 0.79 0.49 -0.02 -0.54 -3.33 0.00 0.00 175.10 172.49 2hi6 s LYS 114 N -0.86 1.69 -0.38 1.54 1.02 -1.26 -4.88 119.74 116.60 2hi6 s LYS 114 Ca 0.35 -1.90 -0.28 0.00 0.02 0.00 0.00 55.97 54.16 2hi6 s LYS 114 Cb -0.22 -1.25 -0.02 0.00 -0.52 0.00 0.00 37.83 35.82 2hi6 s LYS 114 CO 0.24 -0.02 1.86 -0.08 -0.92 0.00 0.00 175.35 176.43 2hi6 s THR 115 N -2.97 3.41 0.00 2.17 -1.32 -1.25 -2.21 115.64 113.46 2hi6 s THR 115 Ca 0.33 0.39 0.00 0.00 -1.21 0.00 0.00 61.69 61.19 2hi6 s THR 115 Cb 0.06 -3.64 0.00 0.00 -1.51 0.00 0.00 72.50 67.41 2hi6 s THR 115 CO 0.15 -0.46 0.00 0.61 -2.21 0.00 0.00 174.62 172.70 2hi6 n GLY 116 N 5.51 1.31 3.74 6.08 0.00 0.59 -4.95 105.19 117.47 2hi6 n GLY 116 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 2hi6 n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hi6 s ASP 117 N -0.69 4.84 -0.27 1.61 1.01 -0.94 -4.55 116.67 117.68 2hi6 s ASP 117 Ca 0.00 2.42 -0.14 0.00 0.71 0.00 0.00 52.55 55.54 2hi6 s ASP 117 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 2hi6 s ASP 117 CO 0.00 -1.83 0.33 -0.60 0.21 0.00 0.00 175.17 173.28 2hi6 s ARG 118 N -3.50 4.01 -0.00 8.23 3.00 -1.22 -0.23 118.95 129.24 2hi6 s ARG 118 Ca 0.77 -0.04 0.08 0.00 -1.00 0.00 0.00 55.73 55.55 2hi6 s ARG 118 Cb -0.31 -3.65 -0.02 0.00 0.00 0.00 0.00 34.95 30.97 2hi6 s ARG 118 CO 0.37 -0.24 -0.25 0.08 0.00 0.00 0.00 175.30 175.27 2hi6 s VAL 119 N 1.94 2.01 -0.14 7.11 1.01 0.17 -1.59 120.40 130.90 2hi6 s VAL 119 Ca 0.13 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 60.97 2hi6 s VAL 119 Cb -0.16 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.56 2hi6 s VAL 119 CO 0.10 0.50 -0.15 0.54 0.00 0.00 0.00 175.10 176.09 2hi6 s VAL 120 N -0.65 1.59 -0.19 2.92 0.11 -1.20 -1.26 120.40 121.72 2hi6 s VAL 120 Ca 0.10 -0.65 -0.06 0.00 -2.93 0.00 0.00 61.98 58.44 2hi6 s VAL 120 Cb -0.10 -1.48 -0.03 0.00 -1.53 0.00 0.00 36.38 33.24 2hi6 s VAL 120 CO -0.00 0.46 0.02 -0.69 -3.33 0.00 0.00 175.10 171.56 2hi6 s VAL 121 N 1.38 4.30 -0.68 2.04 1.01 0.26 -2.42 120.40 126.28 2hi6 s VAL 121 Ca 0.03 -0.20 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 2hi6 s VAL 121 Cb -0.13 -2.94 0.11 0.00 0.00 0.00 0.00 36.38 33.43 2hi6 s VAL 121 CO -0.09 0.44 0.82 0.21 0.00 0.00 0.00 175.10 176.48 2hi6 s ASN 122 N 0.69 6.31 0.13 3.32 3.84 0.13 -0.69 114.94 128.66 2hi6 s ASN 122 Ca 0.01 -1.59 0.26 0.00 0.21 0.00 0.00 52.86 51.75 2hi6 s ASN 122 Cb -0.14 -2.33 0.64 0.00 -0.55 0.00 0.00 41.25 38.88 2hi6 s ASN 122 CO 0.02 -1.11 1.57 0.00 -2.79 0.00 0.00 177.10 174.80 2hi6 n ALA 123 N 6.35 2.67 -0.07 1.71 0.00 -0.38 -0.38 120.51 130.40 2hi6 n ALA 123 Ca -0.01 -0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 2hi6 n ALA 123 Cb 0.44 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.52 2hi6 n ALA 123 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2hi6 h ASP 124 N 0.00 0.50 0.05 0.00 3.58 -1.72 -3.36 116.42 115.47 2hi6 h ASP 124 Ca 0.00 -0.44 -0.36 0.00 0.42 0.00 0.00 57.03 56.65 2hi6 h ASP 124 Cb 0.69 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.56 2hi6 h ASP 124 CO 0.00 0.83 -2.04 -0.62 -2.88 0.00 0.00 179.24 174.53 2hi6 n GLU 125 N -4.49 0.67 0.00 0.28 1.02 -1.23 -4.96 120.64 111.93 2hi6 n GLU 125 Ca -0.05 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 2hi6 n GLU 125 Cb 0.36 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 2hi6 n GLU 125 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hi6 n GLY 126 N 1.86 0.80 3.46 0.62 0.00 0.49 -4.66 105.19 107.76 2hi6 n GLY 126 Ca -0.38 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 2hi6 n GLY 126 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2hi6 s TYR 127 N -1.76 -0.53 -0.18 1.61 5.04 -0.62 -3.58 117.35 117.33 2hi6 s TYR 127 Ca 0.00 0.49 -0.15 0.00 -2.44 0.00 0.00 57.07 54.96 2hi6 s TYR 127 Cb 0.00 0.52 0.05 0.00 0.35 0.00 0.00 41.96 42.88 2hi6 s TYR 127 CO 0.00 -0.74 0.47 0.54 -1.34 0.00 0.00 175.55 174.48 2hi6 s VAL 128 N -3.05 -0.00 -0.19 3.14 0.11 -0.70 0.19 120.40 119.90 2hi6 s VAL 128 Ca -0.01 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2hi6 s VAL 128 Cb -0.01 -0.66 0.02 0.00 -1.53 0.00 0.00 36.38 34.20 2hi6 s VAL 128 CO -0.07 0.00 -0.18 -1.83 -3.33 0.00 0.00 175.10 169.70 2hi6 s GLU 129 N 0.41 3.05 -0.03 1.54 1.03 -1.02 0.17 118.70 123.85 2hi6 s GLU 129 Ca -0.01 -0.80 -0.26 0.00 0.03 0.00 0.00 54.97 53.93 2hi6 s GLU 129 Cb -0.04 -2.64 -0.04 0.00 -0.80 0.00 0.00 34.13 30.62 2hi6 s GLU 129 CO -0.01 -0.21 0.81 -1.17 -1.33 0.00 0.00 175.26 173.35 2hi6 s LEU 130 N 1.32 4.35 -0.27 1.83 2.96 0.02 -3.23 118.68 125.65 2hi6 s LEU 130 Ca 0.05 1.39 -0.10 0.00 -0.22 0.00 0.00 54.13 55.25 2hi6 s LEU 130 Cb -0.13 -3.27 -0.05 0.00 0.50 0.00 0.00 46.19 43.24 2hi6 s LEU 130 CO -0.11 -0.15 0.16 -0.63 -1.32 0.00 0.00 176.35 174.30 2hi6 s ILE 131 N 0.77 5.11 -2.26 6.68 -1.09 -0.62 -3.01 121.20 126.77 2hi6 s ILE 131 Ca 0.43 0.10 0.30 0.00 -2.23 0.00 0.00 60.65 59.25 2hi6 s ILE 131 Cb -0.19 -3.42 0.72 0.00 -1.58 0.00 0.00 42.46 37.99 2hi6 s ILE 131 CO 0.22 0.27 1.98 -0.62 -1.23 0.00 0.00 174.94 175.56