#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 2.90 0.14 5.55 1.02 -1.26 -3.75 119.74 124.34 2hi6 s LYS 2 Ca 0.00 -1.22 -0.21 0.00 0.02 0.00 0.00 55.97 54.56 2hi6 s LYS 2 Cb 0.00 -3.97 -0.07 0.00 -0.52 0.00 0.00 37.83 33.27 2hi6 s LYS 2 CO 0.00 -0.88 0.67 -0.06 -0.92 0.00 0.00 175.35 174.17 2hi6 s PHE 3 N 1.61 3.79 -0.13 3.18 0.08 -0.98 -4.91 117.98 120.61 2hi6 s PHE 3 Ca 0.04 1.41 -0.20 0.00 0.12 0.00 0.00 56.93 58.30 2hi6 s PHE 3 Cb -0.22 -2.61 -0.04 0.00 -0.57 0.00 0.00 43.02 39.59 2hi6 s PHE 3 CO 0.07 0.49 0.55 0.00 -0.10 0.00 0.00 175.22 176.24 2hi6 s ALA 4 N -1.25 3.47 0.26 5.36 0.00 -1.26 -1.65 121.76 126.69 2hi6 s ALA 4 Ca 0.35 -0.17 0.11 0.00 0.00 0.00 0.00 51.96 52.25 2hi6 s ALA 4 Cb -0.20 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 2hi6 s ALA 4 CO 0.22 -0.18 -0.20 0.00 0.00 0.00 0.00 175.76 175.60 2hi6 s ARG 6 N -3.38 3.43 0.16 0.00 3.52 -0.25 -4.39 118.95 118.04 2hi6 s ARG 6 Ca 0.27 -0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 54.91 2hi6 s ARG 6 Cb -0.05 -3.64 -0.08 0.00 -1.56 0.00 0.00 34.95 29.63 2hi6 s ARG 6 CO 0.13 -0.40 1.20 0.00 -0.81 0.00 0.00 175.30 175.42 2hi6 s ALA 7 N 1.66 3.43 -0.18 6.12 0.00 -1.26 -1.30 121.76 130.22 2hi6 s ALA 7 Ca 0.05 0.93 -0.08 0.00 0.00 0.00 0.00 51.96 52.86 2hi6 s ALA 7 Cb -0.17 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.45 2hi6 s ALA 7 CO 0.08 -0.39 -0.23 -0.89 0.00 0.00 0.00 175.76 174.33 2hi6 n ILE 8 N 2.85 1.00 -4.52 0.00 2.08 -1.10 -4.95 119.36 114.73 2hi6 n ILE 8 Ca 0.05 -0.26 -0.31 0.00 0.56 0.00 0.00 62.75 62.80 2hi6 n ILE 8 Cb 0.45 -1.71 -0.06 0.00 -0.75 0.00 0.00 39.64 37.57 2hi6 n ILE 8 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2hi6 s THR 9 N -2.33 1.41 0.41 1.39 -4.23 -1.18 -5.02 115.64 106.08 2hi6 s THR 9 Ca -0.25 -1.87 0.08 0.00 -1.18 0.00 0.00 61.69 58.46 2hi6 s THR 9 Cb 0.10 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.66 2hi6 s THR 9 CO 0.32 0.00 0.53 -0.13 -0.54 0.00 0.00 174.62 174.80 2hi6 s ARG 10 N -3.95 2.81 0.00 3.99 0.52 -1.26 -4.61 118.95 116.45 2hi6 s ARG 10 Ca 0.16 -1.26 0.00 0.00 -0.52 0.00 0.00 55.73 54.11 2hi6 s ARG 10 Cb 0.02 -2.70 0.00 0.00 0.52 0.00 0.00 34.95 32.78 2hi6 s ARG 10 CO 0.09 -0.22 0.00 0.41 0.02 0.00 0.00 175.30 175.60 2hi6 n GLY 11 N -1.78 4.27 2.82 -3.53 0.00 -1.26 -3.73 105.19 101.98 2hi6 n GLY 11 Ca 0.06 -1.46 -0.17 0.00 0.00 0.00 0.00 46.02 44.46 2hi6 n GLY 11 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hi6 s ARG 12 N -3.65 0.29 0.14 1.61 3.52 -1.26 -2.30 118.95 117.31 2hi6 s ARG 12 Ca 0.00 0.07 -0.08 0.00 -0.13 0.00 0.00 55.73 55.60 2hi6 s ARG 12 Cb 0.00 -0.47 -0.01 0.00 -1.56 0.00 0.00 34.95 32.91 2hi6 s ARG 12 CO 0.00 -0.13 0.23 0.00 -0.81 0.00 0.00 175.30 174.59 2hi6 s ALA 13 N 0.98 0.09 -0.04 6.12 0.00 -0.45 -5.01 121.76 123.45 2hi6 s ALA 13 Ca -0.10 -0.92 -0.20 0.00 0.00 0.00 0.00 51.96 50.74 2hi6 s ALA 13 Cb -0.13 0.78 0.04 0.00 0.00 0.00 0.00 23.12 23.81 2hi6 s ALA 13 CO -0.02 -0.59 0.44 -1.83 0.00 0.00 0.00 175.76 173.75 2hi6 s GLU 14 N -3.96 0.78 0.00 0.00 -1.05 -1.26 -0.04 118.70 113.16 2hi6 s GLU 14 Ca 0.16 0.02 0.00 0.00 -0.15 0.00 0.00 54.97 55.00 2hi6 s GLU 14 Cb 0.04 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 2hi6 s GLU 14 CO -0.02 -0.22 0.00 0.41 0.95 0.00 0.00 175.26 176.38 2hi6 n GLY 15 N 1.30 -1.17 3.71 -3.83 0.00 -1.16 -4.94 105.19 99.10 2hi6 n GLY 15 Ca -0.20 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.96 4.21 -0.19 1.61 0.41 -1.26 -2.13 118.70 119.39 2hi6 s GLU 16 Ca 0.00 2.34 -0.28 0.00 -0.41 0.00 0.00 54.97 56.62 2hi6 s GLU 16 Cb 0.00 -3.33 -0.00 0.00 -1.78 0.00 0.00 34.13 29.02 2hi6 s GLU 16 CO 0.00 -0.65 0.98 0.00 -0.49 0.00 0.00 175.26 175.10 2hi6 s ALA 17 N 1.73 3.58 -0.38 5.21 0.00 0.11 -0.41 121.76 131.59 2hi6 s ALA 17 Ca 0.71 0.19 -0.09 0.00 0.00 0.00 0.00 51.96 52.77 2hi6 s ALA 17 Cb -0.42 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.30 2hi6 s ALA 17 CO 0.32 -0.85 0.20 -1.17 0.00 0.00 0.00 175.76 174.26 2hi6 s LEU 18 N 2.67 4.78 -0.29 0.00 2.96 0.17 -1.82 118.68 127.14 2hi6 s LEU 18 Ca 0.44 -1.19 -0.05 0.00 -0.22 0.00 0.00 54.13 53.10 2hi6 s LEU 18 Cb -0.16 -1.98 0.02 0.00 0.50 0.00 0.00 46.19 44.57 2hi6 s LEU 18 CO 0.11 -0.42 0.05 -0.69 -1.32 0.00 0.00 176.35 174.07 2hi6 s VAL 19 N 1.48 3.61 -0.37 1.68 1.01 -1.26 -1.35 120.40 125.20 2hi6 s VAL 19 Ca 0.01 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 2hi6 s VAL 19 Cb -0.20 -2.91 0.03 0.00 0.00 0.00 0.00 36.38 33.29 2hi6 s VAL 19 CO 0.04 0.04 0.20 -0.89 0.00 0.00 0.00 175.10 174.49 2hi6 s THR 20 N 1.42 4.49 -0.34 3.92 2.01 -0.74 -4.72 115.64 121.68 2hi6 s THR 20 Ca 0.01 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.14 2hi6 s THR 20 Cb -0.18 -3.51 0.23 0.00 0.01 0.00 0.00 72.50 69.05 2hi6 s THR 20 CO 0.01 -0.23 1.16 0.29 -0.69 0.00 0.00 174.62 175.16 2hi6 n LYS 21 N 4.98 1.66 -4.34 4.92 5.02 -1.26 -4.23 118.16 124.91 2hi6 n LYS 21 Ca -0.12 -0.96 -0.25 0.00 -2.02 0.00 0.00 58.31 54.96 2hi6 n LYS 21 Cb 0.46 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.89 2hi6 n LYS 21 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2hi6 s GLU 22 N -1.20 2.03 -0.65 1.97 2.56 -1.26 -4.98 118.70 117.17 2hi6 s GLU 22 Ca 0.18 -1.44 -0.12 0.00 0.00 0.00 0.00 54.97 53.59 2hi6 s GLU 22 Cb 0.14 -2.06 0.17 0.00 2.00 0.00 0.00 34.13 34.38 2hi6 s GLU 22 CO 0.04 0.39 0.56 0.71 -0.56 0.00 0.00 175.26 176.40 2hi6 s TYR 23 N -2.08 3.52 0.75 5.30 1.51 -1.26 -4.57 117.35 120.51 2hi6 s TYR 23 Ca 0.28 -1.92 -0.07 0.00 -1.01 0.00 0.00 57.07 54.35 2hi6 s TYR 23 Cb -0.07 -3.65 0.09 0.00 -0.11 0.00 0.00 41.96 38.22 2hi6 s TYR 23 CO 0.16 -0.98 1.06 0.96 -1.11 0.00 0.00 175.55 175.65 2hi6 s ILE 24 N 0.72 2.21 -0.21 2.71 -4.36 -1.25 -4.80 121.20 116.23 2hi6 s ILE 24 Ca 0.12 -0.27 -0.04 0.00 -0.26 0.00 0.00 60.65 60.20 2hi6 s ILE 24 Cb -0.20 -2.94 -0.02 0.00 1.25 0.00 0.00 42.46 40.55 2hi6 s ILE 24 CO -0.04 0.00 -0.02 -0.94 0.24 0.00 0.00 174.94 174.18 2hi6 s SER 25 N -4.60 4.56 -1.52 4.36 1.04 -1.26 -1.75 113.70 114.52 2hi6 s SER 25 Ca 0.63 -0.30 -0.11 0.00 0.48 0.00 0.00 55.95 56.65 2hi6 s SER 25 Cb -0.09 -1.78 -0.01 0.00 0.10 0.00 0.00 66.02 64.24 2hi6 s SER 25 CO 0.46 0.02 2.59 0.49 0.98 0.00 0.00 173.24 177.78 2hi6 n PHE 26 N 4.50 2.89 0.03 5.02 3.01 0.89 -3.65 117.46 130.15 2hi6 n PHE 26 Ca -0.18 -3.02 -0.00 0.00 1.01 0.00 0.00 57.45 55.26 2hi6 n PHE 26 Cb 0.51 -2.45 -0.00 0.00 -0.01 0.00 0.00 39.48 37.54 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 4.44 0.80 -2.72 4.37 7.99 -1.26 -1.95 117.00 128.68 2hi6 n LEU 27 Ca 0.65 0.10 -0.04 0.00 -0.01 0.00 0.00 56.01 56.71 2hi6 n LEU 27 Cb 0.30 -0.25 0.09 0.00 -0.11 0.00 0.00 43.42 43.45 2hi6 n LEU 27 CO 0.86 -0.53 0.28 0.61 -1.51 0.00 0.00 177.39 177.10 2hi6 n GLY 28 N 3.33 1.70 0.10 -0.72 0.00 -1.26 -4.75 105.19 103.59 2hi6 n GLY 28 Ca -0.00 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 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 2.08 -0.12 -5.79 -0.02 0.00 -1.92 -3.43 103.07 93.87 2hi6 h GLY 29 Ca -0.25 0.04 -0.63 0.00 0.00 0.00 0.00 47.33 46.49 2hi6 h GLY 29 CO 0.08 -0.04 -0.43 -0.42 0.00 0.00 0.00 176.54 175.73 2hi6 s ILE 30 N -3.08 5.39 0.23 2.60 1.01 -1.26 0.81 121.20 126.91 2hi6 s ILE 30 Ca -0.14 0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.54 2hi6 s ILE 30 Cb -0.00 -3.49 -0.10 0.00 0.01 0.00 0.00 42.46 38.88 2hi6 s ILE 30 CO 0.52 0.53 1.39 -0.62 0.00 0.00 0.00 174.94 176.75 2hi6 s ASP 31 N -0.39 6.75 0.45 3.58 -1.08 0.11 -4.90 116.67 121.19 2hi6 s ASP 31 Ca 0.14 2.56 0.22 0.00 -0.52 0.00 0.00 52.55 54.96 2hi6 s ASP 31 Cb -0.12 -2.62 1.04 0.00 -1.46 0.00 0.00 42.92 39.76 2hi6 s ASP 31 CO 0.03 -0.63 1.90 0.07 0.52 0.00 0.00 175.17 177.06 2hi6 h LYS 32 N 5.17 0.00 0.00 4.34 2.10 -1.95 -1.40 116.57 124.83 2hi6 h LYS 32 Ca -0.45 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.02 2hi6 h LYS 32 Cb 1.22 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.51 2hi6 h LYS 32 CO 0.77 0.24 -1.67 -1.91 -2.00 0.00 0.00 179.45 174.88 2hi6 n GLU 33 N -3.62 0.71 0.00 0.07 2.13 -1.26 -4.04 120.64 114.63 2hi6 n GLU 33 Ca -0.01 0.06 0.11 0.00 0.66 0.00 0.00 57.16 57.97 2hi6 n GLU 33 Cb 0.37 -1.24 -0.12 0.00 0.27 0.00 0.00 31.44 30.72 2hi6 n GLU 33 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2hi6 n THR 34 N -2.75 0.03 -1.52 6.31 -1.04 -1.25 -4.81 114.28 109.25 2hi6 n THR 34 Ca -0.20 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.05 61.44 2hi6 n THR 34 Cb 0.74 0.45 -0.04 0.00 -1.82 0.00 0.00 70.33 69.65 2hi6 n THR 34 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2hi6 n GLY 35 N 1.38 1.05 3.69 3.41 0.00 -0.53 -4.73 105.19 109.46 2hi6 n GLY 35 Ca 0.00 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.49 5.05 -0.27 -0.61 -1.09 -1.26 -1.19 121.20 119.35 2hi6 s ILE 36 Ca 0.00 1.26 -0.29 0.00 -2.23 0.00 0.00 60.65 59.39 2hi6 s ILE 36 Cb 0.00 -3.97 -0.01 0.00 -1.58 0.00 0.00 42.46 36.90 2hi6 s ILE 36 CO 0.00 0.20 1.53 -0.69 -1.23 0.00 0.00 174.94 174.75 2hi6 s VAL 37 N 1.28 3.81 -0.05 2.92 1.01 -0.14 0.05 120.40 129.27 2hi6 s VAL 37 Ca 0.32 0.89 0.13 0.00 0.00 0.00 0.00 61.98 63.32 2hi6 s VAL 37 Cb -0.16 -3.87 -0.19 0.00 0.00 0.00 0.00 36.38 32.16 2hi6 s VAL 37 CO 0.13 -0.40 0.81 0.11 0.00 0.00 0.00 175.10 175.75 2hi6 h LYS 38 N 10.57 0.00 -6.37 2.72 1.79 0.12 -1.46 116.57 123.94 2hi6 h LYS 38 Ca -0.31 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.62 2hi6 h LYS 38 Cb 1.14 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.80 2hi6 h LYS 38 CO 1.02 0.49 1.03 -2.00 -1.08 0.00 0.00 179.45 178.91 2hi6 s GLU 39 N -2.72 4.19 0.31 3.15 2.12 -1.21 -4.86 118.70 119.69 2hi6 s GLU 39 Ca -0.03 2.28 -0.28 0.00 0.36 0.00 0.00 54.97 57.29 2hi6 s GLU 39 Cb 0.08 -3.77 -0.09 0.00 0.26 0.00 0.00 34.13 30.61 2hi6 s GLU 39 CO 0.82 -0.78 1.12 0.34 -0.54 0.00 0.00 175.26 176.22 2hi6 s ASP 40 N 2.83 7.08 0.00 -1.70 2.15 -1.26 -4.48 116.67 121.29 2hi6 s ASP 40 Ca 0.74 2.30 0.00 0.00 0.43 0.00 0.00 52.55 56.02 2hi6 s ASP 40 Cb -0.37 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.62 2hi6 s ASP 40 CO 0.32 -0.28 0.00 0.00 -0.17 0.00 0.00 175.17 175.04 2hi6 n GLU 42 N -1.43 0.00 -0.08 0.00 4.07 -1.26 -4.87 120.64 117.07 2hi6 n GLU 42 Ca 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.11 2hi6 n GLU 42 Cb 0.00 0.00 0.04 0.00 -0.06 0.00 0.00 31.44 31.42 2hi6 n GLU 42 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 2hi6 n ILE 43 N -2.62 0.24 -1.95 6.31 -6.64 -1.26 -4.87 119.36 108.57 2hi6 n ILE 43 Ca 0.00 -0.15 -0.42 0.00 -1.77 0.00 0.00 62.75 60.41 2hi6 n ILE 43 Cb 0.00 -0.22 -0.03 0.00 -1.44 0.00 0.00 39.64 37.95 2hi6 n ILE 43 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 2hi6 s LYS 44 N -1.53 4.20 0.00 6.28 2.36 -1.26 -1.77 119.74 128.02 2hi6 s LYS 44 Ca 0.06 2.31 0.00 0.00 -2.55 0.00 0.00 55.97 55.79 2hi6 s LYS 44 Cb 0.04 -3.60 0.00 0.00 -1.05 0.00 0.00 37.83 33.22 2hi6 s LYS 44 CO 0.03 -0.73 0.00 0.41 1.55 0.00 0.00 175.35 176.61 2hi6 n GLY 45 N 3.97 1.86 3.92 5.54 0.00 -0.55 -4.99 105.19 114.95 2hi6 n GLY 45 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.78 3.53 0.22 1.61 0.41 -0.73 -4.82 118.70 118.14 2hi6 s GLU 46 Ca 0.00 -0.07 0.06 0.00 -0.41 0.00 0.00 54.97 54.54 2hi6 s GLU 46 Cb 0.00 -2.55 -0.03 0.00 -1.78 0.00 0.00 34.13 29.77 2hi6 s GLU 46 CO 0.00 0.02 0.24 -1.54 -0.49 0.00 0.00 175.26 173.48 2hi6 s SER 47 N -3.94 5.81 -0.21 -0.19 1.04 -1.26 -0.97 113.70 113.99 2hi6 s SER 47 Ca 0.43 -0.10 0.15 0.00 0.48 0.00 0.00 55.95 56.91 2hi6 s SER 47 Cb -0.10 -1.58 0.59 0.00 0.10 0.00 0.00 66.02 65.04 2hi6 s SER 47 CO 0.39 -0.02 1.51 1.33 0.98 0.00 0.00 173.24 177.42 2hi6 n VAL 48 N -1.02 2.43 -2.26 5.02 0.24 -0.33 -4.94 118.33 117.47 2hi6 n VAL 48 Ca -0.08 -1.84 -0.34 0.00 -2.04 0.00 0.00 64.34 60.04 2hi6 n VAL 48 Cb 0.57 -0.27 -0.04 0.00 -1.47 0.00 0.00 33.84 32.63 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 -2.86 2.16 0.00 2.33 0.00 -1.24 -2.79 121.76 119.35 2hi6 s ALA 49 Ca 0.45 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2hi6 s ALA 49 Cb 0.37 -4.50 0.00 0.00 0.00 0.00 0.00 23.12 18.99 2hi6 s ALA 49 CO 0.10 -4.19 0.00 0.41 0.00 0.00 0.00 175.76 172.08 2hi6 n GLY 50 N 6.62 0.89 3.70 0.00 0.00 -1.10 -4.99 105.19 110.32 2hi6 n GLY 50 Ca 0.33 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.58 2.52 -0.51 1.61 0.52 -1.12 -4.55 118.95 116.83 2hi6 s ARG 51 Ca 0.00 -1.24 -0.18 0.00 -0.52 0.00 0.00 55.73 53.78 2hi6 s ARG 51 Cb 0.00 -2.33 0.07 0.00 0.52 0.00 0.00 34.95 33.21 2hi6 s ARG 51 CO 0.00 0.39 0.59 0.42 0.02 0.00 0.00 175.30 176.72 2hi6 s ILE 52 N -2.15 4.95 0.01 1.52 -1.09 0.45 -2.20 121.20 122.69 2hi6 s ILE 52 Ca 0.31 -0.70 -0.24 0.00 -2.23 0.00 0.00 60.65 57.79 2hi6 s ILE 52 Cb -0.07 -4.29 -0.05 0.00 -1.58 0.00 0.00 42.46 36.47 2hi6 s ILE 52 CO 0.21 -0.80 0.73 -0.76 -1.23 0.00 0.00 174.94 173.09 2hi6 s LEU 53 N 2.41 4.41 -0.13 2.97 1.02 0.24 0.42 118.68 130.02 2hi6 s LEU 53 Ca 0.12 1.35 0.00 0.00 0.02 0.00 0.00 54.13 55.63 2hi6 s LEU 53 Cb -0.21 -3.17 0.02 0.00 0.02 0.00 0.00 46.19 42.85 2hi6 s LEU 53 CO 0.10 -0.01 -0.13 -0.69 0.02 0.00 0.00 176.35 175.63 2hi6 s VAL 54 N 0.17 1.45 0.03 -1.59 1.01 -0.46 -0.49 120.40 120.52 2hi6 s VAL 54 Ca 0.38 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.84 2hi6 s VAL 54 Cb -0.20 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 2hi6 s VAL 54 CO 0.21 0.44 -0.15 -0.36 0.00 0.00 0.00 175.10 175.24 2hi6 s PHE 55 N 1.42 1.34 -0.92 5.22 0.40 -0.09 -1.79 117.98 123.56 2hi6 s PHE 55 Ca 0.03 -0.33 0.28 0.00 -0.60 0.00 0.00 56.93 56.30 2hi6 s PHE 55 Cb -0.13 -0.81 1.04 0.00 0.51 0.00 0.00 43.02 43.63 2hi6 s PHE 55 CO -0.08 0.03 1.83 -0.35 0.70 0.00 0.00 175.22 177.35 2hi6 n PRO 56 N 2.06 0.07 0.00 0.24 -0.04 -1.26 -2.10 135.00 133.97 2hi6 n PRO 56 Ca -0.17 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2hi6 n PRO 56 Cb 0.55 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 2hi6 n PRO 56 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hi6 n GLY 57 N 1.45 0.89 0.00 0.55 0.00 -1.26 -3.86 105.19 102.96 2hi6 n GLY 57 Ca 0.06 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.19 2hi6 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hi6 n GLY 58 N 0.00 -0.23 3.02 -0.02 0.00 -1.26 -3.82 105.19 102.88 2hi6 n GLY 58 Ca 0.00 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 2hi6 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hi6 s LYS 59 N -2.00 1.66 -1.10 1.61 1.02 -0.72 -4.98 119.74 115.23 2hi6 s LYS 59 Ca 0.00 -1.70 -0.11 0.00 0.02 0.00 0.00 55.97 54.17 2hi6 s LYS 59 Cb 0.00 -3.08 0.23 0.00 -0.52 0.00 0.00 37.83 34.46 2hi6 s LYS 59 CO 0.00 -0.84 1.17 0.20 -0.92 0.00 0.00 175.35 174.96 2hi6 s GLY 60 N 0.98 2.87 0.79 -3.33 0.00 -1.26 -0.08 107.32 107.29 2hi6 s GLY 60 Ca 0.05 -3.60 -0.11 0.00 0.00 0.00 0.00 44.72 41.06 2hi6 s GLY 60 CO -0.08 1.57 1.07 -1.26 0.00 0.00 0.00 173.10 174.40 2hi6 n SER 61 N 3.88 0.30 0.12 1.64 2.88 -1.25 -4.73 113.62 116.46 2hi6 n SER 61 Ca 0.26 -1.52 0.10 0.00 -1.33 0.00 0.00 58.87 56.39 2hi6 n SER 61 Cb 0.42 -0.80 0.47 0.00 -0.75 0.00 0.00 64.21 63.55 2hi6 n SER 61 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2hi6 n THR 62 N -3.37 0.96 0.57 2.46 -2.24 -1.26 -1.46 114.28 109.94 2hi6 n THR 62 Ca 0.14 0.37 0.12 0.00 -2.27 0.00 0.00 64.05 62.41 2hi6 n THR 62 Cb 0.49 -1.31 0.19 0.00 -2.10 0.00 0.00 70.33 67.61 2hi6 n THR 62 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2hi6 n VAL 63 N -2.12 0.38 0.17 2.28 0.31 -1.26 -3.83 118.33 114.25 2hi6 n VAL 63 Ca 0.01 -0.28 0.05 0.00 -0.01 0.00 0.00 64.34 64.12 2hi6 n VAL 63 Cb 0.16 -0.17 0.16 0.00 -0.91 0.00 0.00 33.84 33.08 2hi6 n VAL 63 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2hi6 h GLY 64 N 4.51 0.00 -1.18 2.92 0.00 -0.57 -3.43 103.07 105.32 2hi6 h GLY 64 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 2hi6 h GLY 64 CO 0.00 0.00 0.41 -1.35 0.00 0.00 0.00 176.54 175.60 2hi6 s SER 65 N -6.38 5.78 0.00 0.19 1.04 -1.25 -4.20 113.70 108.87 2hi6 s SER 65 Ca 0.03 1.24 0.00 0.00 0.48 0.00 0.00 55.95 57.70 2hi6 s SER 65 Cb 0.08 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 64.06 2hi6 s SER 65 CO 0.71 -1.14 0.00 0.00 0.98 0.00 0.00 173.24 173.79 2hi6 n TYR 66 N -2.89 0.00 -0.01 5.02 9.36 -1.26 -4.59 117.16 122.79 2hi6 n TYR 66 Ca 0.06 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.35 2hi6 n TYR 66 Cb 0.56 0.00 0.46 0.00 -0.63 0.00 0.00 39.34 39.73 2hi6 n TYR 66 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2hi6 h VAL 67 N 0.00 1.03 -0.33 2.97 2.07 -1.82 -1.47 116.25 118.70 2hi6 h VAL 67 Ca 0.00 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.42 2hi6 h VAL 67 Cb 0.00 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2hi6 h VAL 67 CO 0.00 0.09 0.23 -0.07 0.02 0.00 0.00 177.57 177.84 2hi6 h LEU 68 N 0.48 0.15 -0.98 2.57 3.38 -1.81 -1.19 115.31 117.90 2hi6 h LEU 68 Ca 0.18 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 2hi6 h LEU 68 Cb 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2hi6 h LEU 68 CO -0.05 0.10 -0.27 0.25 0.09 0.00 0.00 178.44 178.56 2hi6 h LEU 69 N 0.17 0.42 -0.51 1.67 5.85 -1.50 -2.74 115.31 118.66 2hi6 h LEU 69 Ca 0.15 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 2hi6 h LEU 69 Cb 0.39 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2hi6 h LEU 69 CO -0.02 0.68 0.02 -1.13 -0.34 0.00 0.00 178.44 177.65 2hi6 h ASN 70 N 0.37 0.87 -0.78 1.25 -1.24 -1.30 -2.66 115.58 112.09 2hi6 h ASN 70 Ca 0.05 -0.30 0.05 0.00 0.71 0.00 0.00 56.30 56.82 2hi6 h ASN 70 Cb 0.66 -0.23 -0.06 0.00 0.73 0.00 0.00 38.32 39.42 2hi6 h ASN 70 CO 0.05 0.96 0.48 -0.07 -1.29 0.00 0.00 177.43 177.55 2hi6 h LEU 71 N 0.76 0.75 0.09 0.34 3.38 -1.38 -2.17 115.31 117.09 2hi6 h LEU 71 Ca 0.15 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2hi6 h LEU 71 Cb 0.50 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2hi6 h LEU 71 CO 0.02 0.49 -0.05 -0.09 0.09 0.00 0.00 178.44 178.90 2hi6 h ARG 72 N 0.88 -0.14 0.00 1.13 2.43 -1.20 -1.23 114.38 116.26 2hi6 h ARG 72 Ca 0.34 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 2hi6 h ARG 72 Cb 0.14 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2hi6 h ARG 72 CO -0.16 -0.09 0.00 1.63 -1.51 0.00 0.00 179.97 179.84 2hi6 n LYS 73 N -5.16 0.15 -0.04 0.20 5.02 -1.03 -1.97 118.16 115.33 2hi6 n LYS 73 Ca -0.08 0.09 -0.10 0.00 -2.02 0.00 0.00 58.31 56.21 2hi6 n LYS 73 Cb 0.09 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.45 2hi6 n LYS 73 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2hi6 n ASN 74 N -1.40 0.80 0.00 4.39 2.85 -0.84 -4.99 115.26 116.08 2hi6 n ASN 74 Ca 0.08 0.30 0.00 0.00 -0.11 0.00 0.00 54.58 54.85 2hi6 n ASN 74 Cb 0.23 0.09 0.00 0.00 1.24 0.00 0.00 39.78 41.34 2hi6 n ASN 74 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2hi6 n GLY 75 N 1.64 1.04 0.21 8.20 0.00 -0.57 -4.98 105.19 110.75 2hi6 n GLY 75 Ca -0.22 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.89 1.42 -2.48 1.61 0.24 -0.60 -4.77 118.33 111.85 2hi6 n VAL 76 Ca 0.00 -1.49 -0.34 0.00 -2.04 0.00 0.00 64.34 60.47 2hi6 n VAL 76 Cb 0.00 0.19 -0.03 0.00 -1.47 0.00 0.00 33.84 32.53 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 -1.78 2.84 0.26 2.33 0.00 -0.88 -3.68 121.76 120.85 2hi6 s ALA 77 Ca 0.18 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 52.49 2hi6 s ALA 77 Cb 0.14 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.90 2hi6 s ALA 77 CO 0.04 -0.41 1.18 -2.14 0.00 0.00 0.00 175.76 174.44 2hi6 s PRO 78 N -3.26 4.52 0.18 0.00 0.02 -1.21 -2.70 135.00 132.55 2hi6 s PRO 78 Ca 0.68 1.93 -0.11 0.00 0.02 0.00 0.00 61.00 63.52 2hi6 s PRO 78 Cb -0.18 -3.17 0.08 0.00 0.02 0.00 0.00 34.50 31.25 2hi6 s PRO 78 CO 0.22 0.02 1.73 0.87 -0.33 0.00 0.00 177.00 179.50 2hi6 h LYS 79 N 4.15 0.92 -2.54 5.54 1.57 -1.68 -3.46 116.57 121.08 2hi6 h LYS 79 Ca -0.47 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.08 2hi6 h LYS 79 Cb 1.22 -0.15 -0.17 0.00 0.08 0.00 0.00 32.23 33.21 2hi6 h LYS 79 CO 0.69 0.80 0.10 0.00 -0.57 0.00 0.00 179.45 180.47 2hi6 s ALA 80 N -5.51 -1.50 -0.15 3.86 0.00 -1.26 -4.39 121.76 112.81 2hi6 s ALA 80 Ca -0.13 0.83 -0.02 0.00 0.00 0.00 0.00 51.96 52.65 2hi6 s ALA 80 Cb 0.13 0.30 0.05 0.00 0.00 0.00 0.00 23.12 23.60 2hi6 s ALA 80 CO 0.80 -0.48 0.01 0.42 0.00 0.00 0.00 175.76 176.51 2hi6 s ILE 81 N -2.13 0.56 -0.24 0.00 1.01 -0.96 -0.59 121.20 118.85 2hi6 s ILE 81 Ca -0.07 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.16 2hi6 s ILE 81 Cb -0.01 -0.89 -0.05 0.00 0.01 0.00 0.00 42.46 41.52 2hi6 s ILE 81 CO 0.01 0.01 0.15 -0.63 0.00 0.00 0.00 174.94 174.49 2hi6 s ILE 82 N 1.87 5.25 0.19 2.92 -1.09 0.35 -3.51 121.20 127.17 2hi6 s ILE 82 Ca 0.02 0.14 0.10 0.00 -2.23 0.00 0.00 60.65 58.67 2hi6 s ILE 82 Cb -0.15 -3.45 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 2hi6 s ILE 82 CO -0.07 0.34 -0.20 0.20 -1.23 0.00 0.00 174.94 173.98 2hi6 s ASN 83 N 1.16 2.96 -0.05 3.58 0.01 -0.72 -0.91 114.94 120.96 2hi6 s ASN 83 Ca 0.07 -0.89 -0.24 0.00 -0.71 0.00 0.00 52.86 51.09 2hi6 s ASN 83 Cb -0.14 -0.20 -0.25 0.00 0.41 0.00 0.00 41.25 41.08 2hi6 s ASN 83 CO 0.05 0.00 0.99 0.50 -1.51 0.00 0.00 177.10 177.13 2hi6 h LYS 84 N 3.09 0.20 -5.06 -0.60 3.64 -1.57 0.55 116.57 116.83 2hi6 h LYS 84 Ca -0.43 -0.24 -0.67 0.00 -1.27 0.00 0.00 60.65 58.04 2hi6 h LYS 84 Cb 1.21 0.08 -0.32 0.00 -0.41 0.00 0.00 32.23 32.79 2hi6 h LYS 84 CO 0.52 1.00 -0.81 0.15 -2.27 0.00 0.00 179.45 178.04 2hi6 s LYS 85 N -2.92 3.15 -0.16 1.90 1.02 -1.25 -3.60 119.74 117.88 2hi6 s LYS 85 Ca -0.16 -0.75 -0.09 0.00 0.02 0.00 0.00 55.97 54.99 2hi6 s LYS 85 Cb 0.01 -2.72 -0.05 0.00 -0.52 0.00 0.00 37.83 34.55 2hi6 s LYS 85 CO 0.76 -0.18 0.15 -0.08 -0.92 0.00 0.00 175.35 175.09 2hi6 s THR 86 N 1.29 5.43 -0.06 2.17 -1.32 -1.26 -4.74 115.64 117.15 2hi6 s THR 86 Ca 0.04 0.25 -0.02 0.00 -1.21 0.00 0.00 61.69 60.74 2hi6 s THR 86 Cb -0.14 -3.46 -0.04 0.00 -1.51 0.00 0.00 72.50 67.36 2hi6 s THR 86 CO -0.08 0.52 0.04 -0.70 -2.21 0.00 0.00 174.62 172.19 2hi6 s GLU 87 N -0.30 3.04 0.25 7.08 -6.30 -1.26 -5.02 118.70 116.20 2hi6 s GLU 87 Ca 0.12 -0.40 -0.01 0.00 -2.50 0.00 0.00 54.97 52.18 2hi6 s GLU 87 Cb -0.12 -2.85 0.31 0.00 0.00 0.00 0.00 34.13 31.48 2hi6 s GLU 87 CO 0.02 0.69 1.70 1.15 0.02 0.00 0.00 175.26 178.84 2hi6 h THR 88 N 3.87 1.26 -0.57 -1.70 2.02 -1.98 -1.53 112.91 114.28 2hi6 h THR 88 Ca -0.51 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 65.43 2hi6 h THR 88 Cb 1.19 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 2hi6 h THR 88 CO 0.57 0.41 0.32 0.40 0.37 0.00 0.00 175.52 177.59 2hi6 h ILE 89 N 0.58 1.18 -0.69 3.11 2.04 -1.94 -0.79 117.51 121.00 2hi6 h ILE 89 Ca 0.09 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 2hi6 h ILE 89 Cb 0.64 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2hi6 h ILE 89 CO 0.05 0.19 0.18 0.40 0.00 0.00 0.00 178.15 178.97 2hi6 h ILE 90 N 0.76 1.26 -0.36 -0.67 2.04 -1.78 -2.70 117.51 116.06 2hi6 h ILE 90 Ca 0.20 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 65.14 2hi6 h ILE 90 Cb 0.02 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2hi6 h ILE 90 CO -0.03 0.36 0.22 0.00 0.00 0.00 0.00 178.15 178.70 2hi6 h ALA 91 N 1.08 0.46 -0.67 1.87 0.00 -0.68 0.26 119.26 121.58 2hi6 h ALA 91 Ca 0.22 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2hi6 h ALA 91 Cb 0.35 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2hi6 h ALA 91 CO -0.00 -0.11 0.41 0.28 0.00 0.00 0.00 179.25 179.83 2hi6 h VAL 92 N 0.46 1.08 -0.32 0.00 2.07 -1.04 0.59 116.25 119.09 2hi6 h VAL 92 Ca 0.14 -0.28 -0.15 0.00 0.82 0.00 0.00 66.70 67.23 2hi6 h VAL 92 Cb -0.02 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 2hi6 h VAL 92 CO -0.05 0.15 -0.39 1.23 0.02 0.00 0.00 177.57 178.52 2hi6 h GLY 93 N 0.81 0.91 1.89 2.17 0.00 -1.11 -3.19 103.07 104.54 2hi6 h GLY 93 Ca 0.27 -0.97 -0.12 0.00 0.00 0.00 0.00 47.33 46.51 2hi6 h GLY 93 CO -0.11 0.87 -0.55 0.00 0.00 0.00 0.00 176.54 176.75 2hi6 h ALA 94 N 0.72 1.01 -0.74 3.60 0.00 -0.20 -2.89 119.26 120.75 2hi6 h ALA 94 Ca 0.04 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2hi6 h ALA 94 Cb 0.99 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2hi6 h ALA 94 CO 0.09 0.69 0.48 0.00 0.00 0.00 0.00 179.25 180.51 2hi6 h ALA 95 N 1.35 0.94 -0.11 0.00 0.00 -0.88 0.17 119.26 120.73 2hi6 h ALA 95 Ca -0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2hi6 h ALA 95 Cb 1.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2hi6 h ALA 95 CO 0.08 0.37 -0.49 0.52 0.00 0.00 0.00 179.25 179.73 2hi6 h MET 96 N 1.00 0.28 -0.12 0.00 2.86 -1.54 -2.70 114.93 114.72 2hi6 h MET 96 Ca 0.27 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2hi6 h MET 96 Cb -0.09 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.58 2hi6 h MET 96 CO -0.06 0.71 0.00 0.00 1.06 0.00 0.00 176.91 178.63 2hi6 n ALA 97 N -2.48 2.54 -3.73 6.32 0.00 -0.93 -4.92 120.51 117.33 2hi6 n ALA 97 Ca -0.02 -0.46 -0.25 0.00 0.00 0.00 0.00 53.44 52.71 2hi6 n ALA 97 Cb 0.54 -1.14 0.05 0.00 0.00 0.00 0.00 19.45 18.91 2hi6 n ALA 97 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2hi6 n GLU 98 N 0.14 -6.27 -3.63 0.00 2.13 -0.16 -4.88 120.64 107.96 2hi6 n GLU 98 Ca 0.17 0.70 -0.39 0.00 0.66 0.00 0.00 57.16 58.30 2hi6 n GLU 98 Cb 0.30 -5.59 -0.08 0.00 0.27 0.00 0.00 31.44 26.34 2hi6 n GLU 98 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2hi6 s ILE 99 N -3.38 4.17 -0.13 6.31 1.01 0.41 -4.95 121.20 124.64 2hi6 s ILE 99 Ca 0.44 -2.97 -0.32 0.00 0.00 0.00 0.00 60.65 57.81 2hi6 s ILE 99 Cb -0.21 -3.66 -0.09 0.00 0.01 0.00 0.00 42.46 38.50 2hi6 s ILE 99 CO 0.79 -0.93 2.04 -0.81 0.00 0.00 0.00 174.94 176.02 2hi6 n PRO 100 N 3.45 2.14 -5.17 2.79 -0.04 -1.24 -4.55 135.00 132.37 2hi6 n PRO 100 Ca 0.11 0.72 -0.32 0.00 -0.04 0.00 0.00 63.50 63.97 2hi6 n PRO 100 Cb 0.39 -2.87 -0.16 0.00 -0.04 0.00 0.00 33.50 30.83 2hi6 n PRO 100 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2hi6 s LEU 101 N 5.77 2.24 0.18 1.53 2.34 -1.26 -2.25 118.68 127.23 2hi6 s LEU 101 Ca 0.96 -0.43 0.03 0.00 0.06 0.00 0.00 54.13 54.76 2hi6 s LEU 101 Cb -0.56 -1.42 -0.05 0.00 -0.56 0.00 0.00 46.19 43.61 2hi6 s LEU 101 CO 0.45 0.28 -0.04 0.68 -1.06 0.00 0.00 176.35 176.66 2hi6 s VAL 102 N -0.35 0.97 -0.14 1.48 -7.23 -1.23 -2.70 120.40 111.20 2hi6 s VAL 102 Ca 0.02 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.11 2hi6 s VAL 102 Cb -0.12 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 2hi6 s VAL 102 CO 0.02 -0.53 0.06 -1.83 -0.31 0.00 0.00 175.10 172.51 2hi6 s GLU 103 N -3.84 3.55 -0.11 4.82 -1.05 -0.42 -1.76 118.70 119.90 2hi6 s GLU 103 Ca 0.22 -0.31 0.02 0.00 -0.15 0.00 0.00 54.97 54.75 2hi6 s GLU 103 Cb 0.05 -3.08 -0.01 0.00 -0.44 0.00 0.00 34.13 30.65 2hi6 s GLU 103 CO 0.04 0.52 -0.17 0.14 0.95 0.00 0.00 175.26 176.74 2hi6 s VAL 104 N -0.34 2.69 -2.59 1.83 -7.23 0.18 -1.08 120.40 113.85 2hi6 s VAL 104 Ca 0.09 -0.80 0.22 0.00 -1.81 0.00 0.00 61.98 59.67 2hi6 s VAL 104 Cb -0.12 -2.09 0.23 0.00 0.56 0.00 0.00 36.38 34.96 2hi6 s VAL 104 CO 0.02 0.54 1.23 -1.14 -0.31 0.00 0.00 175.10 175.44 2hi6 n ARG 105 N 3.41 2.11 -3.45 4.82 3.00 -1.26 -4.42 116.66 120.87 2hi6 n ARG 105 Ca -0.18 -1.89 -0.38 0.00 -0.00 0.00 0.00 57.85 55.39 2hi6 n ARG 105 Cb 0.53 -1.43 -0.08 0.00 0.00 0.00 0.00 32.46 31.47 2hi6 n ARG 105 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2hi6 s ASP 106 N -1.70 6.31 0.24 6.15 -1.08 -1.26 -4.96 116.67 120.37 2hi6 s ASP 106 Ca 0.28 0.36 0.04 0.00 -0.52 0.00 0.00 52.55 52.71 2hi6 s ASP 106 Cb 0.19 -2.20 0.25 0.00 -1.46 0.00 0.00 42.92 39.70 2hi6 s ASP 106 CO 0.28 -0.08 1.56 -0.33 0.52 0.00 0.00 175.17 177.12 2hi6 h GLU 107 N 7.64 0.24 0.00 4.34 3.07 -2.02 -3.16 114.58 124.69 2hi6 h GLU 107 Ca -0.35 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 58.30 2hi6 h GLU 107 Cb 1.16 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.09 2hi6 h GLU 107 CO 0.68 0.77 -0.18 0.87 -1.40 0.00 0.00 179.01 179.75 2hi6 h LYS 108 N 0.18 0.00 -0.32 2.33 1.57 -1.98 -2.19 116.57 116.16 2hi6 h LYS 108 Ca -0.01 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 2hi6 h LYS 108 Cb 1.11 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.36 2hi6 h LYS 108 CO 0.09 0.18 -0.03 0.35 -0.57 0.00 0.00 179.45 179.48 2hi6 h PHE 109 N 0.00 -0.07 0.00 -1.35 3.57 -1.97 0.36 116.94 117.47 2hi6 h PHE 109 Ca -0.00 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 2hi6 h PHE 109 Cb 0.64 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 2hi6 h PHE 109 CO 0.00 -0.09 -0.60 0.74 -2.23 0.00 0.00 178.31 176.13 2hi6 h PHE 110 N 0.06 0.00 -0.29 0.41 0.04 -1.58 0.36 116.94 115.94 2hi6 h PHE 110 Ca 0.15 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.88 2hi6 h PHE 110 Cb 0.22 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 2hi6 h PHE 110 CO -0.26 0.60 -0.01 1.49 -0.60 0.00 0.00 178.31 179.53 2hi6 h GLU 111 N 0.00 0.51 0.19 1.51 4.81 -0.84 -3.33 114.58 117.43 2hi6 h GLU 111 Ca -0.01 -0.17 -0.34 0.00 -0.13 0.00 0.00 59.36 58.71 2hi6 h GLU 111 Cb 1.19 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.54 2hi6 h GLU 111 CO 0.08 0.67 -1.68 0.00 -0.73 0.00 0.00 179.01 177.36 2hi6 h ALA 112 N 0.82 0.10 -2.52 2.92 0.00 -0.21 -3.46 119.26 116.91 2hi6 h ALA 112 Ca 0.08 -1.08 -0.53 0.00 0.00 0.00 0.00 54.91 53.38 2hi6 h ALA 112 Cb 0.45 0.38 0.03 0.00 0.00 0.00 0.00 17.79 18.65 2hi6 h ALA 112 CO 0.02 0.97 0.90 0.54 0.00 0.00 0.00 179.25 181.68 2hi6 s VAL 113 N -2.59 2.93 -0.05 0.00 0.11 0.11 -5.00 120.40 115.92 2hi6 s VAL 113 Ca -0.14 0.56 0.05 0.00 -2.93 0.00 0.00 61.98 59.53 2hi6 s VAL 113 Cb 0.05 -3.36 -0.01 0.00 -1.53 0.00 0.00 36.38 31.54 2hi6 s VAL 113 CO 0.87 0.02 -0.21 -0.54 -3.33 0.00 0.00 175.10 171.92 2hi6 s LYS 114 N 1.78 2.10 -0.28 1.54 -0.14 -1.26 -4.89 119.74 118.59 2hi6 s LYS 114 Ca 0.70 -0.75 -0.29 0.00 -1.36 0.00 0.00 55.97 54.27 2hi6 s LYS 114 Cb -0.41 -1.83 -0.01 0.00 -1.68 0.00 0.00 37.83 33.91 2hi6 s LYS 114 CO 0.31 0.33 1.50 -0.08 -0.76 0.00 0.00 175.35 176.65 2hi6 s THR 115 N -0.11 3.85 0.00 2.17 -1.32 -1.26 -2.93 115.64 116.03 2hi6 s THR 115 Ca -0.02 0.94 0.00 0.00 -1.21 0.00 0.00 61.69 61.39 2hi6 s THR 115 Cb -0.12 -3.91 0.00 0.00 -1.51 0.00 0.00 72.50 66.96 2hi6 s THR 115 CO 0.02 -0.43 0.00 0.61 -2.21 0.00 0.00 174.62 172.62 2hi6 n GLY 116 N 4.67 1.10 0.69 6.08 0.00 -0.76 -4.92 105.19 112.06 2hi6 n GLY 116 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 2hi6 n GLY 116 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hi6 n ASP 117 N 0.00 0.36 -4.44 1.61 -0.08 -1.15 -4.83 116.55 108.02 2hi6 n ASP 117 Ca 0.00 -1.26 -0.33 0.00 -1.51 0.00 0.00 54.79 51.69 2hi6 n ASP 117 Cb 0.00 -0.08 -0.14 0.00 2.34 0.00 0.00 41.12 43.24 2hi6 n ASP 117 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2hi6 s ARG 118 N -2.52 2.71 -0.10 -0.67 3.00 -1.24 0.04 118.95 120.18 2hi6 s ARG 118 Ca 0.11 -0.71 0.04 0.00 0.00 0.00 0.00 55.73 55.17 2hi6 s ARG 118 Cb -0.01 -2.42 -0.00 0.00 0.00 0.00 0.00 34.95 32.52 2hi6 s ARG 118 CO 0.07 0.51 -0.24 0.08 0.00 0.00 0.00 175.30 175.73 2hi6 s VAL 119 N -0.44 2.02 -0.39 3.52 1.01 -0.91 -0.96 120.40 124.25 2hi6 s VAL 119 Ca 0.05 -1.00 -0.15 0.00 0.00 0.00 0.00 61.98 60.88 2hi6 s VAL 119 Cb -0.12 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.53 2hi6 s VAL 119 CO 0.02 0.55 0.33 -0.69 0.00 0.00 0.00 175.10 175.31 2hi6 s VAL 120 N 0.32 5.21 -0.26 2.92 1.01 0.61 -3.00 120.40 127.21 2hi6 s VAL 120 Ca -0.18 -0.44 -0.15 0.00 0.00 0.00 0.00 61.98 61.22 2hi6 s VAL 120 Cb -0.18 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2hi6 s VAL 120 CO 0.08 -0.27 0.36 -0.69 0.00 0.00 0.00 175.10 174.58 2hi6 s VAL 121 N 1.84 5.19 -0.33 2.92 1.01 0.94 -0.89 120.40 131.07 2hi6 s VAL 121 Ca 0.08 0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.62 2hi6 s VAL 121 Cb -0.18 -3.68 0.10 0.00 0.00 0.00 0.00 36.38 32.62 2hi6 s VAL 121 CO 0.11 0.18 0.07 0.21 0.00 0.00 0.00 175.10 175.67 2hi6 s ASN 122 N 1.57 4.47 0.05 3.32 3.84 -0.62 -1.34 114.94 126.23 2hi6 s ASN 122 Ca 0.15 -1.97 0.26 0.00 0.21 0.00 0.00 52.86 51.51 2hi6 s ASN 122 Cb -0.16 -1.33 0.68 0.00 -0.55 0.00 0.00 41.25 39.89 2hi6 s ASN 122 CO 0.10 -0.39 1.55 0.00 -2.79 0.00 0.00 177.10 175.57 2hi6 n ALA 123 N 4.47 2.97 -0.12 1.71 0.00 -0.97 -1.09 120.51 127.47 2hi6 n ALA 123 Ca 0.02 -0.23 -0.11 0.00 0.00 0.00 0.00 53.44 53.11 2hi6 n ALA 123 Cb 0.42 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 2hi6 n ALA 123 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2hi6 h ASP 124 N 0.00 0.73 0.29 0.00 3.32 -1.89 -3.22 116.42 115.65 2hi6 h ASP 124 Ca 0.00 -0.38 -0.13 0.00 0.02 0.00 0.00 57.03 56.54 2hi6 h ASP 124 Cb 0.58 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 2hi6 h ASP 124 CO 0.00 0.94 -1.83 -0.62 -1.72 0.00 0.00 179.24 176.01 2hi6 n GLU 125 N -4.36 0.65 -0.96 3.56 1.02 -1.25 -5.03 120.64 114.27 2hi6 n GLU 125 Ca -0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2hi6 n GLU 125 Cb 0.36 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 1.41 0.68 3.58 0.62 0.00 -0.41 -4.95 105.19 106.12 2hi6 n GLY 126 Ca -0.12 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 2hi6 n GLY 126 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hi6 s TYR 127 N -2.64 -0.37 -0.07 1.61 -0.85 -0.25 -1.28 117.35 113.50 2hi6 s TYR 127 Ca 0.00 0.10 0.01 0.00 -0.52 0.00 0.00 57.07 56.66 2hi6 s TYR 127 Cb 0.00 0.60 0.02 0.00 0.38 0.00 0.00 41.96 42.96 2hi6 s TYR 127 CO 0.00 -0.87 -0.08 0.14 -1.52 0.00 0.00 175.55 173.22 2hi6 s VAL 128 N -3.59 0.86 -0.44 -3.49 -7.23 -0.66 -1.59 120.40 104.25 2hi6 s VAL 128 Ca 0.06 -0.27 -0.16 0.00 -1.81 0.00 0.00 61.98 59.80 2hi6 s VAL 128 Cb -0.02 -0.85 0.04 0.00 0.56 0.00 0.00 36.38 36.11 2hi6 s VAL 128 CO -0.06 0.31 0.40 -1.61 -0.31 0.00 0.00 175.10 173.84 2hi6 s GLU 129 N 1.13 3.02 -0.67 4.82 2.02 -0.07 -2.32 118.70 126.64 2hi6 s GLU 129 Ca -0.07 -1.05 -0.26 0.00 0.02 0.00 0.00 54.97 53.61 2hi6 s GLU 129 Cb -0.14 -4.04 0.04 0.00 0.10 0.00 0.00 34.13 30.09 2hi6 s GLU 129 CO -0.01 -0.92 1.15 -1.17 0.02 0.00 0.00 175.26 174.33 2hi6 s LEU 130 N 1.88 3.59 -0.44 1.80 2.96 -1.25 -0.28 118.68 126.95 2hi6 s LEU 130 Ca 0.08 -0.43 -0.20 0.00 -0.22 0.00 0.00 54.13 53.35 2hi6 s LEU 130 Cb -0.20 -2.69 0.02 0.00 0.50 0.00 0.00 46.19 43.82 2hi6 s LEU 130 CO 0.10 -1.61 0.62 0.27 -1.32 0.00 0.00 176.35 174.41 2hi6 s ILE 131 N 5.01 4.85 -2.00 6.68 -4.36 -0.13 -4.41 121.20 126.84 2hi6 s ILE 131 Ca 0.33 0.05 0.31 0.00 -0.26 0.00 0.00 60.65 61.09 2hi6 s ILE 131 Cb -0.10 -4.19 0.89 0.00 1.25 0.00 0.00 42.46 40.31 2hi6 s ILE 131 CO 0.17 -0.58 2.20 -0.62 0.24 0.00 0.00 174.94 176.34