#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hi6 n LYS 2 N 0.00 -3.52 -4.25 7.34 5.02 -1.26 -5.04 118.16 116.45 2hi6 n LYS 2 Ca 0.00 2.78 -0.31 0.00 -2.02 0.00 0.00 58.31 58.76 2hi6 n LYS 2 Cb 0.00 -4.43 -0.09 0.00 -0.02 0.00 0.00 35.03 30.49 2hi6 n LYS 2 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2hi6 s PHE 3 N -0.79 2.90 -0.13 2.13 0.40 -0.90 -4.94 117.98 116.65 2hi6 s PHE 3 Ca -0.17 -0.05 -0.16 0.00 -0.60 0.00 0.00 56.93 55.95 2hi6 s PHE 3 Cb 0.01 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 2hi6 s PHE 3 CO 0.65 0.44 0.39 0.00 0.70 0.00 0.00 175.22 177.40 2hi6 s ALA 4 N -1.18 3.53 0.51 5.36 0.00 -1.26 -1.19 121.76 127.53 2hi6 s ALA 4 Ca 0.22 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.88 2hi6 s ALA 4 Cb -0.11 -2.53 -0.01 0.00 0.00 0.00 0.00 23.12 20.47 2hi6 s ALA 4 CO 0.14 0.06 0.02 0.00 0.00 0.00 0.00 175.76 175.97 2hi6 s ARG 6 N -3.86 4.08 -0.03 0.00 3.52 -0.41 -4.66 118.95 117.58 2hi6 s ARG 6 Ca 0.05 0.13 -0.26 0.00 -0.13 0.00 0.00 55.73 55.53 2hi6 s ARG 6 Cb 0.01 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 2hi6 s ARG 6 CO 0.03 -0.20 0.79 0.00 -0.81 0.00 0.00 175.30 175.11 2hi6 s ALA 7 N 1.83 3.29 -0.20 6.12 0.00 -1.26 0.47 121.76 132.01 2hi6 s ALA 7 Ca 0.17 0.27 -0.08 0.00 0.00 0.00 0.00 51.96 52.33 2hi6 s ALA 7 Cb -0.15 -3.07 -0.10 0.00 0.00 0.00 0.00 23.12 19.80 2hi6 s ALA 7 CO 0.09 -0.11 -0.25 -0.89 0.00 0.00 0.00 175.76 174.60 2hi6 n ILE 8 N 3.66 1.12 -4.13 0.00 -0.00 -0.55 -4.95 119.36 114.51 2hi6 n ILE 8 Ca 0.01 -0.31 -0.12 0.00 -0.00 0.00 0.00 62.75 62.32 2hi6 n ILE 8 Cb 0.51 -1.67 -0.02 0.00 -0.00 0.00 0.00 39.64 38.47 2hi6 n ILE 8 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 2hi6 n THR 9 N -3.76 0.00 -4.56 1.39 -2.24 -1.17 -5.00 114.28 98.94 2hi6 n THR 9 Ca -0.39 -0.95 -0.24 0.00 -2.27 0.00 0.00 64.05 60.20 2hi6 n THR 9 Cb 0.80 0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 2hi6 n THR 9 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2hi6 n ARG 10 N -0.65 1.04 0.00 -0.78 1.74 -1.26 -4.40 116.66 112.35 2hi6 n ARG 10 Ca -0.06 -2.79 0.00 0.00 -0.77 0.00 0.00 57.85 54.22 2hi6 n ARG 10 Cb 0.26 0.79 0.00 0.00 -1.02 0.00 0.00 32.46 32.49 2hi6 n ARG 10 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hi6 n GLY 11 N 0.38 2.81 3.47 -0.13 0.00 -1.26 -3.67 105.19 106.78 2hi6 n GLY 11 Ca -0.15 -1.79 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 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 -3.79 2.84 -0.02 1.61 0.52 -1.26 -0.90 118.95 117.94 2hi6 s ARG 12 Ca 0.00 -0.66 0.01 0.00 -0.52 0.00 0.00 55.73 54.56 2hi6 s ARG 12 Cb 0.00 -2.51 0.02 0.00 0.52 0.00 0.00 34.95 32.98 2hi6 s ARG 12 CO 0.00 0.51 -0.01 0.00 0.02 0.00 0.00 175.30 175.81 2hi6 s ALA 13 N -0.41 0.34 -0.07 2.13 0.00 -0.28 -5.01 121.76 118.45 2hi6 s ALA 13 Ca 0.05 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.10 2hi6 s ALA 13 Cb -0.12 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.75 2hi6 s ALA 13 CO 0.02 -0.03 -0.08 -2.00 0.00 0.00 0.00 175.76 173.67 2hi6 s GLU 14 N 0.75 1.32 0.00 0.00 2.12 -1.26 -0.54 118.70 121.09 2hi6 s GLU 14 Ca -0.08 -0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.01 2hi6 s GLU 14 Cb -0.11 -1.26 0.00 0.00 0.26 0.00 0.00 34.13 33.02 2hi6 s GLU 14 CO -0.01 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.00 2hi6 n GLY 15 N 4.31 -0.59 3.74 -1.50 0.00 -0.91 -5.01 105.19 105.24 2hi6 n GLY 15 Ca -0.19 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.24 4.49 -0.18 1.61 2.02 -1.26 -1.20 118.70 123.94 2hi6 s GLU 16 Ca 0.00 1.91 -0.10 0.00 0.02 0.00 0.00 54.97 56.80 2hi6 s GLU 16 Cb 0.00 -3.21 -0.05 0.00 0.10 0.00 0.00 34.13 30.97 2hi6 s GLU 16 CO 0.00 -0.06 0.14 0.00 0.02 0.00 0.00 175.26 175.36 2hi6 s ALA 17 N -0.30 3.72 -0.18 5.21 0.00 0.14 -0.34 121.76 130.01 2hi6 s ALA 17 Ca 0.52 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2hi6 s ALA 17 Cb -0.33 -2.15 0.01 0.00 0.00 0.00 0.00 23.12 20.65 2hi6 s ALA 17 CO 0.39 0.24 -0.18 -1.17 0.00 0.00 0.00 175.76 175.04 2hi6 s LEU 18 N 0.10 2.24 -0.30 0.00 2.96 0.48 -0.84 118.68 123.32 2hi6 s LEU 18 Ca 0.10 -0.60 -0.10 0.00 -0.22 0.00 0.00 54.13 53.30 2hi6 s LEU 18 Cb -0.11 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 2hi6 s LEU 18 CO -0.00 0.01 0.17 0.54 -1.32 0.00 0.00 176.35 175.74 2hi6 s VAL 19 N 1.25 4.89 -0.12 1.68 0.11 -1.26 -0.29 120.40 126.65 2hi6 s VAL 19 Ca 0.04 -0.18 -0.02 0.00 -2.93 0.00 0.00 61.98 58.88 2hi6 s VAL 19 Cb -0.13 -3.42 -0.03 0.00 -1.53 0.00 0.00 36.38 31.26 2hi6 s VAL 19 CO -0.10 0.14 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.89 2hi6 s THR 20 N 1.68 4.01 -0.14 5.04 2.01 0.71 -4.78 115.64 124.17 2hi6 s THR 20 Ca 0.06 -0.34 0.21 0.00 0.31 0.00 0.00 61.69 61.93 2hi6 s THR 20 Cb -0.17 -2.72 -0.17 0.00 0.01 0.00 0.00 72.50 69.46 2hi6 s THR 20 CO 0.08 0.54 0.73 0.29 -0.69 0.00 0.00 174.62 175.57 2hi6 n LYS 21 N 2.91 0.63 -1.81 4.92 5.02 -1.26 -4.03 118.16 124.54 2hi6 n LYS 21 Ca -0.18 0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 55.81 2hi6 n LYS 21 Cb 0.53 -1.69 0.02 0.00 -0.02 0.00 0.00 35.03 33.87 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 -3.30 3.42 -0.18 1.97 0.41 -1.26 -4.85 118.70 114.91 2hi6 s GLU 22 Ca -0.04 0.77 -0.00 0.00 -0.41 0.00 0.00 54.97 55.28 2hi6 s GLU 22 Cb 0.11 -2.06 0.01 0.00 -1.78 0.00 0.00 34.13 30.41 2hi6 s GLU 22 CO 0.84 -0.70 -0.16 1.52 -0.49 0.00 0.00 175.26 176.27 2hi6 s TYR 23 N -3.17 2.81 -0.13 1.61 -0.85 -1.26 -4.60 117.35 111.76 2hi6 s TYR 23 Ca 0.56 -1.37 0.02 0.00 -0.52 0.00 0.00 57.07 55.75 2hi6 s TYR 23 Cb -0.12 -1.95 0.02 0.00 0.38 0.00 0.00 41.96 40.29 2hi6 s TYR 23 CO 0.54 -0.68 -0.18 0.42 -1.52 0.00 0.00 175.55 174.13 2hi6 s ILE 24 N 1.21 1.74 -0.02 -3.49 1.09 -1.25 -4.94 121.20 115.54 2hi6 s ILE 24 Ca 0.02 -0.77 -0.30 0.00 -1.10 0.00 0.00 60.65 58.50 2hi6 s ILE 24 Cb -0.14 -1.57 -0.04 0.00 -1.06 0.00 0.00 42.46 39.65 2hi6 s ILE 24 CO -0.08 0.49 1.13 -0.94 -0.10 0.00 0.00 174.94 175.43 2hi6 s SER 25 N 1.06 7.15 -1.22 3.58 1.04 -1.26 -4.77 113.70 119.27 2hi6 s SER 25 Ca -0.03 1.80 -0.20 0.00 0.48 0.00 0.00 55.95 57.99 2hi6 s SER 25 Cb -0.14 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.39 2hi6 s SER 25 CO -0.04 -0.47 1.87 0.49 0.98 0.00 0.00 173.24 176.07 2hi6 n PHE 26 N 4.55 3.55 0.00 5.02 3.72 -1.26 -3.98 117.46 129.06 2hi6 n PHE 26 Ca 0.09 -2.17 0.00 0.00 -0.05 0.00 0.00 57.45 55.32 2hi6 n PHE 26 Cb 0.48 -2.56 0.00 0.00 -0.94 0.00 0.00 39.48 36.45 2hi6 n PHE 26 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2hi6 n LEU 27 N 10.83 0.61 0.00 4.37 4.77 -1.26 -2.53 117.00 133.78 2hi6 n LEU 27 Ca 0.47 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2hi6 n LEU 27 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2hi6 n LEU 27 CO 0.76 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 2hi6 n GLY 28 N 3.10 5.12 2.75 -0.72 0.00 -1.26 -4.98 105.19 109.20 2hi6 n GLY 28 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2hi6 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hi6 n GLY 29 N 0.00 2.07 3.45 -0.02 0.00 -1.26 -4.89 105.19 104.53 2hi6 n GLY 29 Ca 0.00 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 2hi6 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hi6 s ILE 30 N -0.08 3.43 0.01 -0.61 1.09 -1.26 0.94 121.20 124.71 2hi6 s ILE 30 Ca 0.00 -0.54 -0.30 0.00 -1.10 0.00 0.00 60.65 58.71 2hi6 s ILE 30 Cb 0.00 -2.45 -0.06 0.00 -1.06 0.00 0.00 42.46 38.88 2hi6 s ILE 30 CO 0.00 0.53 1.54 -0.62 -0.10 0.00 0.00 174.94 176.28 2hi6 s ASP 31 N 0.15 6.73 0.00 3.58 -1.08 0.82 -4.88 116.67 121.99 2hi6 s ASP 31 Ca -0.05 2.25 0.30 0.00 -0.52 0.00 0.00 52.55 54.54 2hi6 s ASP 31 Cb -0.14 -2.56 1.52 0.00 -1.46 0.00 0.00 42.92 40.28 2hi6 s ASP 31 CO 0.04 -0.82 2.05 2.29 0.52 0.00 0.00 175.17 179.24 2hi6 n LYS 32 N 5.84 0.51 -0.09 4.34 2.85 -1.26 -0.08 118.16 130.28 2hi6 n LYS 32 Ca 0.15 -0.03 -0.10 0.00 -1.05 0.00 0.00 58.31 57.28 2hi6 n LYS 32 Cb 0.42 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.19 2hi6 n LYS 32 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2hi6 n GLU 33 N -1.22 1.04 -0.04 -1.58 -0.58 -1.26 -4.68 120.64 112.32 2hi6 n GLU 33 Ca 0.15 0.04 -0.03 0.00 -0.42 0.00 0.00 57.16 56.90 2hi6 n GLU 33 Cb 0.23 -1.42 -0.08 0.00 -0.57 0.00 0.00 31.44 29.60 2hi6 n GLU 33 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2hi6 n THR 34 N -2.79 0.59 -0.53 2.62 -2.24 -1.23 -4.94 114.28 105.75 2hi6 n THR 34 Ca -0.30 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 2hi6 n THR 34 Cb 0.98 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 2.26 0.74 3.68 3.38 0.00 0.89 -4.79 105.19 111.35 2hi6 n GLY 35 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.03 4.89 -0.16 -0.61 -1.09 -1.24 -1.25 121.20 119.70 2hi6 s ILE 36 Ca 0.00 1.67 -0.29 0.00 -2.23 0.00 0.00 60.65 59.80 2hi6 s ILE 36 Cb 0.00 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 2hi6 s ILE 36 CO 0.00 0.06 1.63 0.68 -1.23 0.00 0.00 174.94 176.08 2hi6 s VAL 37 N 1.90 3.67 -0.15 2.92 -7.23 -0.26 -0.13 120.40 121.12 2hi6 s VAL 37 Ca 0.40 0.77 0.18 0.00 -1.81 0.00 0.00 61.98 61.52 2hi6 s VAL 37 Cb -0.17 -3.62 -0.10 0.00 0.56 0.00 0.00 36.38 33.05 2hi6 s VAL 37 CO 0.14 -0.20 0.90 0.11 -0.31 0.00 0.00 175.10 175.74 2hi6 h LYS 38 N 10.35 0.00 -6.67 4.82 1.79 0.22 -3.16 116.57 123.92 2hi6 h LYS 38 Ca -0.35 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.59 2hi6 h LYS 38 Cb 1.16 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.86 2hi6 h LYS 38 CO 0.98 0.24 0.82 -2.00 -1.08 0.00 0.00 179.45 178.41 2hi6 s GLU 39 N -3.01 4.24 0.19 3.15 2.56 0.08 -4.94 118.70 120.97 2hi6 s GLU 39 Ca -0.02 2.32 -0.30 0.00 0.00 0.00 0.00 54.97 56.97 2hi6 s GLU 39 Cb 0.09 -3.14 -0.09 0.00 2.00 0.00 0.00 34.13 32.99 2hi6 s GLU 39 CO 0.80 -0.51 1.38 0.34 -0.56 0.00 0.00 175.26 176.71 2hi6 s ASP 40 N 0.78 6.80 0.00 -1.70 2.15 -1.26 -4.67 116.67 118.77 2hi6 s ASP 40 Ca 0.65 2.47 -0.02 0.00 0.43 0.00 0.00 52.55 56.08 2hi6 s ASP 40 Cb -0.43 -2.61 0.01 0.00 -0.30 0.00 0.00 42.92 39.59 2hi6 s ASP 40 CO 0.37 -0.62 0.08 0.00 -0.17 0.00 0.00 175.17 174.83 2hi6 h GLU 42 N 0.00 0.00 -0.66 0.00 5.08 -2.00 -3.16 114.58 113.83 2hi6 h GLU 42 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2hi6 h GLU 42 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2hi6 h GLU 42 CO 0.02 0.00 0.00 -0.89 -1.00 0.00 0.00 179.01 177.14 2hi6 n ILE 43 N -2.51 1.92 -1.85 3.13 5.41 -1.26 -4.99 119.36 119.21 2hi6 n ILE 43 Ca 0.04 -1.22 -0.41 0.00 1.00 0.00 0.00 62.75 62.16 2hi6 n ILE 43 Cb 0.48 0.10 -0.02 0.00 -0.71 0.00 0.00 39.64 39.48 2hi6 n ILE 43 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2hi6 s LYS 44 N -1.92 4.17 0.00 0.38 2.20 -1.20 -2.57 119.74 120.80 2hi6 s LYS 44 Ca 0.52 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.62 2hi6 s LYS 44 Cb 0.34 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.61 2hi6 s LYS 44 CO 0.25 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 2hi6 n GLY 45 N 2.26 0.53 3.97 5.54 0.00 -1.19 -5.00 105.19 111.29 2hi6 n GLY 45 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.92 2.46 -0.03 1.61 2.02 -1.06 -4.81 118.70 117.97 2hi6 s GLU 46 Ca 0.00 -0.76 0.02 0.00 0.02 0.00 0.00 54.97 54.26 2hi6 s GLU 46 Cb 0.00 -2.45 -0.03 0.00 0.10 0.00 0.00 34.13 31.75 2hi6 s GLU 46 CO 0.00 -0.81 -0.07 -1.54 0.02 0.00 0.00 175.26 172.86 2hi6 s SER 47 N -4.45 4.59 0.00 -0.19 1.04 -1.26 -1.11 113.70 112.32 2hi6 s SER 47 Ca 0.58 -0.10 0.23 0.00 0.48 0.00 0.00 55.95 57.14 2hi6 s SER 47 Cb -0.10 -1.09 0.61 0.00 0.10 0.00 0.00 66.02 65.54 2hi6 s SER 47 CO 0.39 0.32 1.52 1.33 0.98 0.00 0.00 173.24 177.78 2hi6 n VAL 48 N 1.84 0.91 -2.32 5.02 0.24 -0.38 -4.90 118.33 118.74 2hi6 n VAL 48 Ca -0.16 -0.95 -0.37 0.00 -2.04 0.00 0.00 64.34 60.81 2hi6 n VAL 48 Cb 0.53 0.59 -0.03 0.00 -1.47 0.00 0.00 33.84 33.46 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 -1.09 2.36 0.00 2.33 0.00 -1.19 -3.27 121.76 120.89 2hi6 s ALA 49 Ca 0.48 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2hi6 s ALA 49 Cb 0.25 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.97 2hi6 s ALA 49 CO 0.33 -3.85 0.00 0.41 0.00 0.00 0.00 175.76 172.66 2hi6 n GLY 50 N 6.14 1.29 3.50 0.00 0.00 -1.00 -4.87 105.19 110.24 2hi6 n GLY 50 Ca 0.23 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 2hi6 n GLY 50 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hi6 s ARG 51 N -2.00 1.91 -0.28 1.61 1.70 -1.20 -4.55 118.95 116.13 2hi6 s ARG 51 Ca 0.00 -2.16 -0.21 0.00 -0.47 0.00 0.00 55.73 52.90 2hi6 s ARG 51 Cb 0.00 -0.55 -0.01 0.00 -0.57 0.00 0.00 34.95 33.82 2hi6 s ARG 51 CO 0.00 -0.48 0.66 0.42 -1.08 0.00 0.00 175.30 174.82 2hi6 s ILE 52 N -3.24 4.93 -0.29 4.99 1.09 0.53 -0.24 121.20 128.98 2hi6 s ILE 52 Ca 0.25 1.04 -0.08 0.00 -1.10 0.00 0.00 60.65 60.76 2hi6 s ILE 52 Cb 0.03 -4.00 -0.01 0.00 -1.06 0.00 0.00 42.46 37.43 2hi6 s ILE 52 CO 0.15 -0.08 0.10 -0.22 -0.10 0.00 0.00 174.94 174.79 2hi6 s LEU 53 N 2.62 3.81 -0.34 2.97 2.96 0.06 -0.39 118.68 130.38 2hi6 s LEU 53 Ca 0.27 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.64 2hi6 s LEU 53 Cb -0.15 -1.93 0.06 0.00 0.50 0.00 0.00 46.19 44.67 2hi6 s LEU 53 CO 0.10 -0.15 0.08 -0.69 -1.32 0.00 0.00 176.35 174.38 2hi6 s VAL 54 N 1.57 3.34 0.07 1.68 1.01 0.60 -2.21 120.40 126.46 2hi6 s VAL 54 Ca 0.04 -1.44 0.03 0.00 0.00 0.00 0.00 61.98 60.61 2hi6 s VAL 54 Cb -0.16 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 2hi6 s VAL 54 CO 0.04 -0.26 -0.09 0.72 0.00 0.00 0.00 175.10 175.51 2hi6 s PHE 55 N 1.28 0.89 0.26 5.22 -0.71 -1.17 -0.21 117.98 123.55 2hi6 s PHE 55 Ca -0.01 -0.62 -0.04 0.00 -1.04 0.00 0.00 56.93 55.22 2hi6 s PHE 55 Cb -0.20 -0.51 0.35 0.00 -1.21 0.00 0.00 43.02 41.45 2hi6 s PHE 55 CO -0.00 -0.05 1.90 -1.00 -1.34 0.00 0.00 175.22 174.72 2hi6 h PRO 56 N 3.91 1.20 0.00 1.99 0.13 -1.81 -3.30 132.00 134.11 2hi6 h PRO 56 Ca -0.37 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2hi6 h PRO 56 Cb 1.19 -0.27 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2hi6 h PRO 56 CO 0.49 0.79 0.00 0.41 -0.23 0.00 0.00 178.00 179.46 2hi6 n GLY 57 N -1.37 0.24 0.00 1.56 0.00 -1.26 0.37 105.19 104.73 2hi6 n GLY 57 Ca 0.14 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.74 3.45 -0.02 0.00 -1.26 -3.85 105.19 101.76 2hi6 n GLY 58 Ca 0.00 -1.11 -0.44 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.67 3.13 -1.18 1.61 1.02 -1.26 -4.94 119.74 116.45 2hi6 s LYS 59 Ca 0.00 -0.88 -0.14 0.00 0.02 0.00 0.00 55.97 54.98 2hi6 s LYS 59 Cb 0.00 -4.12 0.18 0.00 -0.52 0.00 0.00 37.83 33.37 2hi6 s LYS 59 CO 0.00 -1.31 1.39 0.20 -0.92 0.00 0.00 175.35 174.71 2hi6 s GLY 60 N 2.85 2.46 -0.07 -3.33 0.00 -1.26 -4.61 107.32 103.36 2hi6 s GLY 60 Ca 0.16 -3.37 0.02 0.00 0.00 0.00 0.00 44.72 41.53 2hi6 s GLY 60 CO 0.12 1.99 -0.13 -0.45 0.00 0.00 0.00 173.10 174.63 2hi6 s SER 61 N 2.74 1.84 -1.11 1.64 0.15 -1.26 -4.73 113.70 112.98 2hi6 s SER 61 Ca 0.41 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2hi6 s SER 61 Cb -0.04 -0.85 0.00 0.00 -1.71 0.00 0.00 66.02 63.42 2hi6 s SER 61 CO -0.01 0.03 0.00 0.41 1.20 0.00 0.00 173.24 174.87 2hi6 n THR 62 N 3.83 0.00 -2.30 6.45 -1.04 -1.26 -4.95 114.28 115.01 2hi6 n THR 62 Ca -0.22 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.39 2hi6 n THR 62 Cb 0.52 -1.29 -0.03 0.00 -1.82 0.00 0.00 70.33 67.71 2hi6 n THR 62 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2hi6 s VAL 63 N -2.22 3.13 -1.13 12.58 1.01 -1.26 -4.89 120.40 127.62 2hi6 s VAL 63 Ca 0.00 1.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.94 2hi6 s VAL 63 Cb 0.00 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 2hi6 s VAL 63 CO 0.00 0.23 2.23 0.61 0.00 0.00 0.00 175.10 178.17 2hi6 n GLY 64 N 0.93 3.48 0.36 4.51 0.00 -1.05 -4.68 105.19 108.73 2hi6 n GLY 64 Ca 0.00 -1.29 0.12 0.00 0.00 0.00 0.00 46.02 44.85 2hi6 n GLY 64 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2hi6 h SER 65 N 6.52 0.80 0.58 1.61 4.64 -1.89 0.06 113.55 125.88 2hi6 h SER 65 Ca 0.56 0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.89 2hi6 h SER 65 Cb 0.47 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2hi6 h SER 65 CO 1.79 0.32 -0.35 1.88 -0.87 0.00 0.00 176.83 179.60 2hi6 h TYR 66 N 0.80 0.00 0.00 4.77 0.05 -1.90 -2.81 116.97 117.88 2hi6 h TYR 66 Ca 0.55 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.27 2hi6 h TYR 66 Cb 0.82 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 2hi6 h TYR 66 CO -0.00 0.35 -0.29 0.28 -1.05 0.00 0.00 178.16 177.45 2hi6 h VAL 67 N 0.00 0.89 -0.43 -2.88 2.07 -1.36 -2.52 116.25 112.02 2hi6 h VAL 67 Ca -0.00 -1.12 0.06 0.00 0.82 0.00 0.00 66.70 66.46 2hi6 h VAL 67 Cb 0.74 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2hi6 h VAL 67 CO 0.05 0.28 0.29 -0.07 0.02 0.00 0.00 177.57 178.14 2hi6 h LEU 68 N 0.00 0.29 -0.21 2.57 3.38 -1.41 0.20 115.31 120.13 2hi6 h LEU 68 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2hi6 h LEU 68 Cb 0.64 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2hi6 h LEU 68 CO 0.04 0.19 -0.05 0.25 0.09 0.00 0.00 178.44 178.96 2hi6 h LEU 69 N 0.34 0.41 -0.82 1.67 5.85 -1.61 -0.65 115.31 120.49 2hi6 h LEU 69 Ca 0.19 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.46 2hi6 h LEU 69 Cb 0.31 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2hi6 h LEU 69 CO -0.04 0.69 0.04 -1.13 -0.34 0.00 0.00 178.44 177.66 2hi6 h ASN 70 N 0.13 0.89 -0.53 1.25 -1.24 -1.36 -0.42 115.58 114.29 2hi6 h ASN 70 Ca 0.05 -0.22 0.03 0.00 0.71 0.00 0.00 56.30 56.88 2hi6 h ASN 70 Cb 0.51 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 39.29 2hi6 h ASN 70 CO 0.02 0.93 0.31 -0.07 -1.29 0.00 0.00 177.43 177.33 2hi6 h LEU 71 N 0.87 0.49 -0.59 0.34 3.38 -0.51 -0.23 115.31 119.06 2hi6 h LEU 71 Ca 0.17 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 2hi6 h LEU 71 Cb 0.45 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2hi6 h LEU 71 CO 0.02 0.35 -0.32 -0.09 0.09 0.00 0.00 178.44 178.49 2hi6 h ARG 72 N 0.61 0.78 -0.32 1.13 1.12 -0.63 0.36 114.38 117.43 2hi6 h ARG 72 Ca 0.22 -0.36 -0.03 0.00 -1.11 0.00 0.00 59.98 58.69 2hi6 h ARG 72 Cb 0.04 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 29.98 2hi6 h ARG 72 CO -0.11 0.99 0.05 0.87 -3.11 0.00 0.00 179.97 178.66 2hi6 h LYS 73 N 0.66 0.47 0.00 0.20 1.57 -0.73 -2.42 116.57 116.31 2hi6 h LYS 73 Ca 0.07 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2hi6 h LYS 73 Cb 0.85 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2hi6 h LYS 73 CO 0.07 0.46 -0.58 -0.97 -0.57 0.00 0.00 179.45 177.87 2hi6 h ASN 74 N 0.46 0.00 0.00 0.86 -1.24 -0.55 -3.47 115.58 111.64 2hi6 h ASN 74 Ca 0.11 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.06 2hi6 h ASN 74 Cb 0.23 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.28 2hi6 h ASN 74 CO 0.00 0.03 0.00 0.61 -1.29 0.00 0.00 177.43 176.78 2hi6 n GLY 75 N 1.22 0.65 0.07 1.57 0.00 0.47 -4.95 105.19 104.22 2hi6 n GLY 75 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 2hi6 n GLY 75 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2hi6 h VAL 76 N 0.00 1.69 -3.99 1.61 2.07 -0.70 -3.14 116.25 113.79 2hi6 h VAL 76 Ca 0.00 -3.34 -0.52 0.00 0.82 0.00 0.00 66.70 63.65 2hi6 h VAL 76 Cb 0.00 2.82 0.09 0.00 -1.52 0.00 0.00 31.29 32.68 2hi6 h VAL 76 CO 0.00 0.96 0.57 0.00 0.02 0.00 0.00 177.57 179.11 2hi6 s ALA 77 N -2.75 3.07 0.41 1.67 0.00 -0.82 -3.18 121.76 120.16 2hi6 s ALA 77 Ca 0.01 1.15 -0.26 0.00 0.00 0.00 0.00 51.96 52.86 2hi6 s ALA 77 Cb 0.10 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 2hi6 s ALA 77 CO 0.82 -0.89 1.32 -2.30 0.00 0.00 0.00 175.76 174.71 2hi6 n PRO 78 N -0.33 2.08 0.16 0.00 -0.02 -1.21 -2.39 135.00 133.31 2hi6 n PRO 78 Ca 0.06 0.74 0.13 0.00 -2.02 0.00 0.00 63.50 62.41 2hi6 n PRO 78 Cb 0.45 -2.43 0.45 0.00 -0.02 0.00 0.00 33.50 31.95 2hi6 n PRO 78 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2hi6 h LYS 79 N 2.28 0.00 -1.79 -0.52 3.64 -0.84 -3.44 116.57 115.90 2hi6 h LYS 79 Ca -0.48 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.91 2hi6 h LYS 79 Cb 1.28 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.87 2hi6 h LYS 79 CO 0.61 0.00 0.32 0.00 -2.27 0.00 0.00 179.45 178.11 2hi6 s ALA 80 N -3.29 -1.87 -0.12 5.00 0.00 -1.21 -4.33 121.76 115.94 2hi6 s ALA 80 Ca 0.06 1.80 -0.00 0.00 0.00 0.00 0.00 51.96 53.82 2hi6 s ALA 80 Cb 0.10 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 22.21 2hi6 s ALA 80 CO 0.53 -0.30 -0.09 0.96 0.00 0.00 0.00 175.76 176.86 2hi6 s ILE 81 N -0.13 1.12 -0.25 0.00 -4.36 -0.76 -0.76 121.20 116.07 2hi6 s ILE 81 Ca -0.01 -0.35 -0.03 0.00 -0.26 0.00 0.00 60.65 60.00 2hi6 s ILE 81 Cb -0.04 -1.12 0.01 0.00 1.25 0.00 0.00 42.46 42.57 2hi6 s ILE 81 CO -0.00 0.38 -0.03 -0.63 0.24 0.00 0.00 174.94 174.90 2hi6 s ILE 82 N 1.65 3.20 0.27 8.37 -1.09 -0.94 -3.06 121.20 129.60 2hi6 s ILE 82 Ca 0.05 -0.81 0.09 0.00 -2.23 0.00 0.00 60.65 57.75 2hi6 s ILE 82 Cb -0.13 -2.57 -0.05 0.00 -1.58 0.00 0.00 42.46 38.13 2hi6 s ILE 82 CO -0.08 0.25 -0.14 0.20 -1.23 0.00 0.00 174.94 173.94 2hi6 s ASN 83 N 1.40 3.13 -0.22 3.58 0.02 -1.07 -3.02 114.94 118.76 2hi6 s ASN 83 Ca 0.02 -1.09 0.11 0.00 -1.02 0.00 0.00 52.86 50.88 2hi6 s ASN 83 Cb -0.16 -0.23 -0.22 0.00 0.02 0.00 0.00 41.25 40.66 2hi6 s ASN 83 CO -0.03 -0.14 -0.03 1.17 0.02 0.00 0.00 177.10 178.09 2hi6 n LYS 84 N -0.57 0.67 -4.81 -0.60 4.81 -0.86 -0.07 118.16 116.73 2hi6 n LYS 84 Ca -0.06 0.07 -0.27 0.00 -0.87 0.00 0.00 58.31 57.19 2hi6 n LYS 84 Cb 0.61 -1.53 -0.16 0.00 0.02 0.00 0.00 35.03 33.97 2hi6 n LYS 84 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2hi6 s LYS 85 N -2.51 2.00 0.36 1.64 3.01 0.16 -4.71 119.74 119.70 2hi6 s LYS 85 Ca -0.21 -0.58 0.03 0.00 -1.01 0.00 0.00 55.97 54.21 2hi6 s LYS 85 Cb 0.07 -1.64 -0.04 0.00 -1.01 0.00 0.00 37.83 35.21 2hi6 s LYS 85 CO 0.73 0.14 0.11 -0.08 0.51 0.00 0.00 175.35 176.76 2hi6 s THR 86 N 0.36 0.76 0.13 2.17 -1.32 -1.26 -4.17 115.64 112.31 2hi6 s THR 86 Ca -0.11 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.38 2hi6 s THR 86 Cb -0.15 -2.53 -0.04 0.00 -1.51 0.00 0.00 72.50 68.27 2hi6 s THR 86 CO 0.04 0.00 -0.02 -1.61 -2.21 0.00 0.00 174.62 170.82 2hi6 s GLU 87 N -3.81 0.96 0.08 7.08 0.41 -1.26 -5.03 118.70 117.13 2hi6 s GLU 87 Ca 0.30 -1.43 -0.25 0.00 -0.41 0.00 0.00 54.97 53.17 2hi6 s GLU 87 Cb 0.05 -0.19 -0.16 0.00 -1.78 0.00 0.00 34.13 32.06 2hi6 s GLU 87 CO 0.15 -0.09 1.70 1.15 -0.49 0.00 0.00 175.26 177.68 2hi6 h THR 88 N 2.84 0.85 -0.34 3.63 2.02 -2.00 -1.86 112.91 118.05 2hi6 h THR 88 Ca -0.36 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 66.85 2hi6 h THR 88 Cb 1.19 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 2hi6 h THR 88 CO 0.63 0.00 0.23 0.16 0.37 0.00 0.00 175.52 176.92 2hi6 h ILE 89 N -0.22 0.97 -0.21 3.11 3.07 -1.98 -0.21 117.51 122.04 2hi6 h ILE 89 Ca -0.02 -0.09 -0.06 0.00 1.55 0.00 0.00 64.86 66.24 2hi6 h ILE 89 Cb 0.17 0.69 -0.00 0.00 -0.27 0.00 0.00 36.82 37.41 2hi6 h ILE 89 CO 0.04 0.05 -0.12 0.40 -1.05 0.00 0.00 178.15 177.46 2hi6 h ILE 90 N 0.25 1.31 -0.72 0.16 1.08 -1.84 -1.36 117.51 116.40 2hi6 h ILE 90 Ca 0.15 -1.21 -0.03 0.00 -0.39 0.00 0.00 64.86 63.37 2hi6 h ILE 90 Cb 0.26 1.66 -0.03 0.00 -3.07 0.00 0.00 36.82 35.64 2hi6 h ILE 90 CO -0.03 0.37 0.32 0.00 -0.69 0.00 0.00 178.15 178.12 2hi6 h ALA 91 N 0.69 1.21 0.04 1.87 0.00 -0.50 -0.28 119.26 122.29 2hi6 h ALA 91 Ca 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2hi6 h ALA 91 Cb 0.62 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2hi6 h ALA 91 CO 0.03 0.59 -0.02 0.28 0.00 0.00 0.00 179.25 180.14 2hi6 h VAL 92 N 1.03 1.06 -0.60 0.00 2.07 -0.95 -0.11 116.25 118.75 2hi6 h VAL 92 Ca 0.25 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2hi6 h VAL 92 Cb 0.14 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2hi6 h VAL 92 CO -0.03 0.09 0.39 1.23 0.02 0.00 0.00 177.57 179.27 2hi6 h GLY 93 N -0.20 0.85 1.42 2.17 0.00 -1.02 -1.71 103.07 104.58 2hi6 h GLY 93 Ca -0.01 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 2hi6 h GLY 93 CO 0.01 0.32 0.10 0.00 0.00 0.00 0.00 176.54 176.97 2hi6 h ALA 94 N 1.21 1.28 -0.31 3.60 0.00 -0.95 -1.28 119.26 122.81 2hi6 h ALA 94 Ca 0.22 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2hi6 h ALA 94 Cb -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2hi6 h ALA 94 CO -0.05 0.50 -0.23 0.00 0.00 0.00 0.00 179.25 179.47 2hi6 h ALA 95 N 1.41 0.44 -0.09 0.00 0.00 -0.55 0.36 119.26 120.83 2hi6 h ALA 95 Ca 0.16 -0.38 -0.20 0.00 0.00 0.00 0.00 54.91 54.49 2hi6 h ALA 95 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2hi6 h ALA 95 CO -0.00 0.41 -0.78 0.52 0.00 0.00 0.00 179.25 179.40 2hi6 h MET 96 N 0.46 0.52 -0.00 0.00 2.86 -1.14 -3.18 114.93 114.45 2hi6 h MET 96 Ca 0.06 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 2hi6 h MET 96 Cb 0.79 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.55 2hi6 h MET 96 CO 0.06 1.08 -0.46 0.00 1.06 0.00 0.00 176.91 178.65 2hi6 n ALA 97 N -2.55 3.45 -2.56 6.32 0.00 -0.50 -4.98 120.51 119.69 2hi6 n ALA 97 Ca -0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 53.44 53.03 2hi6 n ALA 97 Cb 0.74 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.46 -1.12 -3.78 0.00 4.07 -0.34 -4.94 120.64 113.07 2hi6 n GLU 98 Ca 0.06 1.32 -0.30 0.00 -0.06 0.00 0.00 57.16 58.18 2hi6 n GLU 98 Cb 0.34 -4.49 -0.13 0.00 -0.06 0.00 0.00 31.44 27.09 2hi6 n GLU 98 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2hi6 s ILE 99 N -2.78 1.71 -0.48 6.31 1.01 0.11 -5.01 121.20 122.06 2hi6 s ILE 99 Ca 0.04 -2.74 -0.42 0.00 0.00 0.00 0.00 60.65 57.53 2hi6 s ILE 99 Cb -0.01 -2.19 -0.18 0.00 0.01 0.00 0.00 42.46 40.08 2hi6 s ILE 99 CO 0.53 -0.87 2.06 -2.65 0.00 0.00 0.00 174.94 174.02 2hi6 n PRO 100 N 3.45 0.00 -4.48 2.79 -0.01 -1.24 -4.70 135.00 130.80 2hi6 n PRO 100 Ca 0.07 0.00 -0.33 0.00 -0.01 0.00 0.00 63.50 63.24 2hi6 n PRO 100 Cb 0.34 -1.45 -0.16 0.00 -0.01 0.00 0.00 33.50 32.22 2hi6 n PRO 100 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 175.50 174.32 2hi6 s LEU 101 N 5.78 2.15 -0.01 2.45 0.20 -1.26 -1.83 118.68 126.15 2hi6 s LEU 101 Ca 1.16 -0.61 0.05 0.00 0.69 0.00 0.00 54.13 55.42 2hi6 s LEU 101 Cb -1.45 -1.47 -0.01 0.00 -0.43 0.00 0.00 46.19 42.83 2hi6 s LEU 101 CO 0.64 0.05 -0.15 0.68 -0.29 0.00 0.00 176.35 177.28 2hi6 s VAL 102 N 0.97 1.21 -0.20 1.68 -7.23 -1.17 -1.49 120.40 114.17 2hi6 s VAL 102 Ca -0.03 -0.65 -0.21 0.00 -1.81 0.00 0.00 61.98 59.28 2hi6 s VAL 102 Cb -0.15 -1.01 -0.02 0.00 0.56 0.00 0.00 36.38 35.76 2hi6 s VAL 102 CO -0.05 0.34 0.64 -0.70 -0.31 0.00 0.00 175.10 175.02 2hi6 s GLU 103 N -0.34 4.21 -0.27 4.82 2.12 0.18 -2.59 118.70 126.82 2hi6 s GLU 103 Ca 0.06 0.64 -0.07 0.00 0.36 0.00 0.00 54.97 55.95 2hi6 s GLU 103 Cb -0.06 -3.58 -0.01 0.00 0.26 0.00 0.00 34.13 30.73 2hi6 s GLU 103 CO -0.01 -0.26 0.07 0.08 -0.54 0.00 0.00 175.26 174.61 2hi6 s VAL 104 N 1.98 4.13 -0.82 3.70 1.01 0.90 -1.28 120.40 130.01 2hi6 s VAL 104 Ca 0.29 -0.41 0.15 0.00 0.00 0.00 0.00 61.98 62.01 2hi6 s VAL 104 Cb -0.16 -3.02 0.50 0.00 0.00 0.00 0.00 36.38 33.71 2hi6 s VAL 104 CO 0.10 0.23 1.42 0.54 0.00 0.00 0.00 175.10 177.39 2hi6 n ARG 105 N 4.90 3.14 -4.38 2.72 1.74 -1.26 -4.16 116.66 119.35 2hi6 n ARG 105 Ca -0.16 -2.54 -0.34 0.00 -0.77 0.00 0.00 57.85 54.05 2hi6 n ARG 105 Cb 0.50 -1.62 -0.12 0.00 -1.02 0.00 0.00 32.46 30.20 2hi6 n ARG 105 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2hi6 s ASP 106 N -1.23 4.87 0.33 0.55 -1.08 -1.26 -5.00 116.67 113.85 2hi6 s ASP 106 Ca 0.38 -0.10 0.15 0.00 -0.52 0.00 0.00 52.55 52.46 2hi6 s ASP 106 Cb 0.25 -1.76 0.54 0.00 -1.46 0.00 0.00 42.92 40.49 2hi6 s ASP 106 CO 0.17 0.19 1.69 -0.08 0.52 0.00 0.00 175.17 177.66 2hi6 h GLU 107 N 6.58 0.00 0.00 4.34 4.57 -2.02 -3.17 114.58 124.87 2hi6 h GLU 107 Ca -0.33 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 2hi6 h GLU 107 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 2hi6 h GLU 107 CO 0.63 0.48 0.00 0.87 -1.18 0.00 0.00 179.01 179.81 2hi6 h LYS 108 N 0.00 0.00 -0.14 1.92 1.57 -1.98 -2.67 116.57 115.27 2hi6 h LYS 108 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2hi6 h LYS 108 Cb 0.97 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 2hi6 h LYS 108 CO 0.06 0.00 0.06 0.35 -0.57 0.00 0.00 179.45 179.35 2hi6 h PHE 109 N 0.00 0.21 0.00 -1.35 3.57 -1.99 0.81 116.94 118.20 2hi6 h PHE 109 Ca 0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 2hi6 h PHE 109 Cb 0.61 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 2hi6 h PHE 109 CO 0.00 0.28 -0.16 0.74 -2.23 0.00 0.00 178.31 176.94 2hi6 h PHE 110 N 0.07 0.00 -0.15 0.41 -1.00 -1.70 -1.54 116.94 113.03 2hi6 h PHE 110 Ca 0.05 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.66 2hi6 h PHE 110 Cb 0.16 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.72 2hi6 h PHE 110 CO -0.02 0.16 -0.56 1.49 -1.61 0.00 0.00 178.31 177.77 2hi6 h GLU 111 N 0.00 0.65 0.17 1.51 4.81 -1.13 -3.34 114.58 117.25 2hi6 h GLU 111 Ca -0.00 -0.50 -0.30 0.00 -0.13 0.00 0.00 59.36 58.43 2hi6 h GLU 111 Cb 0.72 0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.21 2hi6 h GLU 111 CO 0.02 1.12 -1.39 0.00 -0.73 0.00 0.00 179.01 178.02 2hi6 h ALA 112 N 0.54 0.05 -2.69 2.92 0.00 -0.59 -3.46 119.26 116.04 2hi6 h ALA 112 Ca -0.03 -0.93 -0.51 0.00 0.00 0.00 0.00 54.91 53.44 2hi6 h ALA 112 Cb 1.19 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2hi6 h ALA 112 CO 0.12 0.92 0.47 0.54 0.00 0.00 0.00 179.25 181.30 2hi6 s VAL 113 N -2.63 3.83 0.20 0.00 0.11 -0.60 -5.05 120.40 116.25 2hi6 s VAL 113 Ca -0.07 1.63 0.08 0.00 -2.93 0.00 0.00 61.98 60.69 2hi6 s VAL 113 Cb 0.06 -4.04 -0.05 0.00 -1.53 0.00 0.00 36.38 30.83 2hi6 s VAL 113 CO 0.90 0.30 -0.15 -0.54 -3.33 0.00 0.00 175.10 172.28 2hi6 s LYS 114 N -0.59 1.31 -0.25 1.54 1.02 -1.26 -4.89 119.74 116.63 2hi6 s LYS 114 Ca 0.48 -1.54 -0.28 0.00 0.02 0.00 0.00 55.97 54.64 2hi6 s LYS 114 Cb -0.29 -1.17 -0.03 0.00 -0.52 0.00 0.00 37.83 35.81 2hi6 s LYS 114 CO 0.36 0.21 1.92 0.99 -0.92 0.00 0.00 175.35 177.90 2hi6 s THR 115 N -2.73 3.33 0.00 2.17 2.01 -1.26 -2.74 115.64 116.42 2hi6 s THR 115 Ca 0.21 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.55 2hi6 s THR 115 Cb -0.02 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 69.09 2hi6 s THR 115 CO 0.07 -0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.38 2hi6 n GLY 116 N 5.35 1.01 3.96 4.40 0.00 -0.02 -4.98 105.19 114.90 2hi6 n GLY 116 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.72 3.73 -0.20 1.61 1.01 -1.11 -4.78 116.67 116.21 2hi6 s ASP 117 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 52.55 53.24 2hi6 s ASP 117 Cb 0.00 -0.21 0.00 0.00 1.01 0.00 0.00 42.92 43.72 2hi6 s ASP 117 CO 0.00 -2.31 -0.11 -0.60 0.21 0.00 0.00 175.17 172.37 2hi6 s ARG 118 N -5.54 3.19 -0.18 8.23 3.00 -1.21 0.25 118.95 126.70 2hi6 s ARG 118 Ca 0.70 -0.72 -0.04 0.00 -1.00 0.00 0.00 55.73 54.66 2hi6 s ARG 118 Cb -0.05 -2.83 -0.02 0.00 0.00 0.00 0.00 34.95 32.05 2hi6 s ARG 118 CO 0.49 -0.21 -0.03 0.08 0.00 0.00 0.00 175.30 175.63 2hi6 s VAL 119 N 1.39 3.83 -0.45 7.11 1.01 -0.34 -0.61 120.40 132.35 2hi6 s VAL 119 Ca 0.05 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 2hi6 s VAL 119 Cb -0.14 -2.71 0.10 0.00 0.00 0.00 0.00 36.38 33.64 2hi6 s VAL 119 CO -0.07 0.46 0.30 -0.69 0.00 0.00 0.00 175.10 175.10 2hi6 s VAL 120 N 0.77 4.19 -0.15 2.92 1.01 0.15 -2.14 120.40 127.15 2hi6 s VAL 120 Ca -0.01 -1.62 -0.04 0.00 0.00 0.00 0.00 61.98 60.32 2hi6 s VAL 120 Cb -0.14 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2hi6 s VAL 120 CO 0.02 -0.65 -0.02 0.54 0.00 0.00 0.00 175.10 174.99 2hi6 s VAL 121 N 1.38 4.03 -0.34 2.92 0.11 0.30 -0.51 120.40 128.28 2hi6 s VAL 121 Ca 0.05 -0.32 -0.00 0.00 -2.93 0.00 0.00 61.98 58.78 2hi6 s VAL 121 Cb -0.25 -2.75 0.09 0.00 -1.53 0.00 0.00 36.38 31.93 2hi6 s VAL 121 CO 0.00 0.51 0.07 0.21 -3.33 0.00 0.00 175.10 172.57 2hi6 s ASN 122 N 0.15 4.94 0.38 3.54 2.47 -0.28 -1.13 114.94 125.02 2hi6 s ASN 122 Ca -0.01 -1.78 0.24 0.00 0.42 0.00 0.00 52.86 51.73 2hi6 s ASN 122 Cb -0.13 -1.72 0.47 0.00 -1.45 0.00 0.00 41.25 38.42 2hi6 s ASN 122 CO 0.02 -0.38 1.66 0.00 -3.72 0.00 0.00 177.10 174.68 2hi6 h ALA 123 N 7.89 1.00 -0.06 1.71 0.00 -1.29 0.17 119.26 128.68 2hi6 h ALA 123 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2hi6 h ALA 123 Cb 1.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2hi6 h ALA 123 CO 0.58 0.00 -0.02 -0.44 0.00 0.00 0.00 179.25 179.37 2hi6 h ASP 124 N 0.00 0.08 0.00 0.00 5.19 -1.77 -3.20 116.42 116.72 2hi6 h ASP 124 Ca 0.00 -0.01 -0.21 0.00 -0.62 0.00 0.00 57.03 56.19 2hi6 h ASP 124 Cb 0.93 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 40.38 2hi6 h ASP 124 CO 0.00 0.12 -1.81 1.21 -3.12 0.00 0.00 179.24 175.64 2hi6 n GLU 125 N -4.46 0.89 -0.22 3.56 2.13 -1.18 -5.03 120.64 116.32 2hi6 n GLU 125 Ca -0.02 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.86 2hi6 n GLU 125 Cb 0.14 -1.29 0.00 0.00 0.27 0.00 0.00 31.44 30.56 2hi6 n GLU 125 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hi6 n GLY 126 N 2.66 0.75 3.01 8.31 0.00 0.54 -4.78 105.19 115.68 2hi6 n GLY 126 Ca -0.23 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.79 -0.23 -0.25 1.61 5.04 -0.75 -0.74 117.35 120.24 2hi6 s TYR 127 Ca 0.00 0.58 0.02 0.00 -2.44 0.00 0.00 57.07 55.23 2hi6 s TYR 127 Cb 0.00 0.01 0.05 0.00 0.35 0.00 0.00 41.96 42.37 2hi6 s TYR 127 CO 0.00 -0.16 -0.11 0.08 -1.34 0.00 0.00 175.55 174.02 2hi6 s VAL 128 N 0.83 2.33 -0.38 3.14 1.01 -0.33 -1.13 120.40 125.88 2hi6 s VAL 128 Ca -0.06 -1.42 -0.09 0.00 0.00 0.00 0.00 61.98 60.41 2hi6 s VAL 128 Cb -0.08 -2.28 0.05 0.00 0.00 0.00 0.00 36.38 34.07 2hi6 s VAL 128 CO -0.05 0.09 0.19 -1.61 0.00 0.00 0.00 175.10 173.72 2hi6 s GLU 129 N 1.18 2.69 0.05 2.72 2.02 0.33 -2.11 118.70 125.57 2hi6 s GLU 129 Ca -0.05 -1.23 0.02 0.00 0.02 0.00 0.00 54.97 53.73 2hi6 s GLU 129 Cb -0.18 -3.66 -0.04 0.00 0.10 0.00 0.00 34.13 30.35 2hi6 s GLU 129 CO -0.06 -0.77 0.04 -0.48 0.02 0.00 0.00 175.26 174.02 2hi6 s LEU 130 N 1.47 3.68 -0.11 1.80 2.34 -1.26 0.34 118.68 126.93 2hi6 s LEU 130 Ca 0.01 -0.01 -0.00 0.00 0.06 0.00 0.00 54.13 54.19 2hi6 s LEU 130 Cb -0.20 -2.27 -0.02 0.00 -0.56 0.00 0.00 46.19 43.13 2hi6 s LEU 130 CO 0.04 0.22 -0.10 -0.63 -1.06 0.00 0.00 176.35 174.82 2hi6 s ILE 131 N -1.26 3.37 -2.00 1.48 -1.09 0.22 -4.77 121.20 117.16 2hi6 s ILE 131 Ca 0.25 -0.57 0.13 0.00 -2.23 0.00 0.00 60.65 58.23 2hi6 s ILE 131 Cb -0.12 -2.40 0.38 0.00 -1.58 0.00 0.00 42.46 38.73 2hi6 s ILE 131 CO 0.17 0.55 1.21 -0.62 -1.23 0.00 0.00 174.94 175.02