#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 2.19 0.19 5.55 2.20 -1.26 -0.66 119.74 127.95 2hi6 s LYS 2 Ca 0.00 -1.17 -0.08 0.00 -0.36 0.00 0.00 55.97 54.36 2hi6 s LYS 2 Cb 0.00 -2.74 -0.07 0.00 -1.51 0.00 0.00 37.83 33.51 2hi6 s LYS 2 CO 0.00 -0.52 0.48 -0.06 -0.36 0.00 0.00 175.35 174.89 2hi6 s PHE 3 N 1.21 3.46 -0.26 4.03 0.08 0.72 -4.91 117.98 122.30 2hi6 s PHE 3 Ca -0.06 0.77 -0.06 0.00 0.12 0.00 0.00 56.93 57.70 2hi6 s PHE 3 Cb -0.19 -2.17 -0.01 0.00 -0.57 0.00 0.00 43.02 40.08 2hi6 s PHE 3 CO -0.06 0.35 0.05 0.00 -0.10 0.00 0.00 175.22 175.46 2hi6 s ALA 4 N -1.72 3.05 0.40 5.36 0.00 -1.26 -0.41 121.76 127.17 2hi6 s ALA 4 Ca 0.44 -1.28 0.07 0.00 0.00 0.00 0.00 51.96 51.19 2hi6 s ALA 4 Cb -0.12 -2.04 -0.08 0.00 0.00 0.00 0.00 23.12 20.88 2hi6 s ALA 4 CO 0.22 -0.67 -0.01 0.00 0.00 0.00 0.00 175.76 175.30 2hi6 s ARG 6 N -3.70 4.25 -0.18 0.00 3.52 -0.65 -4.59 118.95 117.60 2hi6 s ARG 6 Ca 0.35 0.20 -0.15 0.00 -0.13 0.00 0.00 55.73 56.00 2hi6 s ARG 6 Cb 0.09 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 2hi6 s ARG 6 CO 0.18 0.13 0.35 0.00 -0.81 0.00 0.00 175.30 175.14 2hi6 s ALA 7 N 0.79 3.56 -0.20 6.12 0.00 -1.26 -1.29 121.76 129.48 2hi6 s ALA 7 Ca 0.19 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.52 2hi6 s ALA 7 Cb -0.14 -2.52 -0.08 0.00 0.00 0.00 0.00 23.12 20.38 2hi6 s ALA 7 CO 0.07 -0.11 -0.33 -0.89 0.00 0.00 0.00 175.76 174.49 2hi6 n ILE 8 N 3.97 1.46 -2.77 0.00 2.08 -0.90 -5.01 119.36 118.20 2hi6 n ILE 8 Ca -0.10 -0.05 -0.21 0.00 0.56 0.00 0.00 62.75 62.95 2hi6 n ILE 8 Cb 0.51 -2.12 0.06 0.00 -0.75 0.00 0.00 39.64 37.34 2hi6 n ILE 8 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2hi6 s THR 9 N -2.70 2.49 0.37 1.39 2.01 -1.16 -4.99 115.64 113.05 2hi6 s THR 9 Ca -0.31 -0.77 0.07 0.00 0.31 0.00 0.00 61.69 60.99 2hi6 s THR 9 Cb 0.08 -2.72 -0.07 0.00 0.01 0.00 0.00 72.50 69.80 2hi6 s THR 9 CO 0.42 0.00 -0.02 -0.13 -0.69 0.00 0.00 174.62 174.20 2hi6 s ARG 10 N -4.77 1.86 0.00 4.92 1.81 -1.26 -4.49 118.95 117.02 2hi6 s ARG 10 Ca 0.60 -2.02 0.00 0.00 -1.72 0.00 0.00 55.73 52.59 2hi6 s ARG 10 Cb -0.08 -1.54 0.00 0.00 -0.45 0.00 0.00 34.95 32.88 2hi6 s ARG 10 CO 0.39 -0.00 0.00 0.41 -0.68 0.00 0.00 175.30 175.42 2hi6 n GLY 11 N -0.86 -0.90 3.05 -3.53 0.00 -1.26 -4.11 105.19 97.58 2hi6 n GLY 11 Ca -0.05 -2.22 -0.08 0.00 0.00 0.00 0.00 46.02 43.67 2hi6 n GLY 11 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hi6 s ARG 12 N -0.44 0.48 -0.00 1.61 3.03 -1.26 0.45 118.95 122.81 2hi6 s ARG 12 Ca 0.00 -0.87 0.01 0.00 2.03 0.00 0.00 55.73 56.90 2hi6 s ARG 12 Cb 0.00 0.17 0.00 0.00 -1.03 0.00 0.00 34.95 34.09 2hi6 s ARG 12 CO 0.00 -0.09 -0.02 0.00 -1.13 0.00 0.00 175.30 174.06 2hi6 s ALA 13 N -2.61 0.15 -0.09 7.88 0.00 0.58 -4.98 121.76 122.70 2hi6 s ALA 13 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2hi6 s ALA 13 Cb -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.08 2hi6 s ALA 13 CO -0.05 0.03 -0.08 -1.83 0.00 0.00 0.00 175.76 173.83 2hi6 s GLU 14 N 0.01 1.40 0.00 0.00 4.04 -1.26 -0.57 118.70 122.32 2hi6 s GLU 14 Ca 0.00 -0.24 0.00 0.00 0.04 0.00 0.00 54.97 54.77 2hi6 s GLU 14 Cb -0.01 -1.39 0.00 0.00 0.02 0.00 0.00 34.13 32.75 2hi6 s GLU 14 CO -0.00 -0.17 0.00 0.41 -1.84 0.00 0.00 175.26 173.66 2hi6 n GLY 15 N 4.54 -1.01 3.74 -3.83 0.00 -0.81 -4.96 105.19 102.86 2hi6 n GLY 15 Ca -0.16 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.50 4.51 -0.15 1.61 2.02 -1.26 -1.13 118.70 123.80 2hi6 s GLU 16 Ca 0.00 1.85 -0.25 0.00 0.02 0.00 0.00 54.97 56.59 2hi6 s GLU 16 Cb 0.00 -3.25 -0.02 0.00 0.10 0.00 0.00 34.13 30.96 2hi6 s GLU 16 CO 0.00 -0.06 0.81 0.00 0.02 0.00 0.00 175.26 176.03 2hi6 s ALA 17 N -0.08 3.47 -0.34 5.21 0.00 0.50 -0.43 121.76 130.10 2hi6 s ALA 17 Ca 0.52 0.06 -0.07 0.00 0.00 0.00 0.00 51.96 52.48 2hi6 s ALA 17 Cb -0.32 -3.18 0.03 0.00 0.00 0.00 0.00 23.12 19.65 2hi6 s ALA 17 CO 0.36 -0.54 0.11 -1.17 0.00 0.00 0.00 175.76 174.53 2hi6 s LEU 18 N 1.87 4.30 -0.21 0.00 0.20 0.56 -1.66 118.68 123.73 2hi6 s LEU 18 Ca 0.38 -1.06 -0.07 0.00 0.69 0.00 0.00 54.13 54.07 2hi6 s LEU 18 Cb -0.17 -1.89 -0.04 0.00 -0.43 0.00 0.00 46.19 43.67 2hi6 s LEU 18 CO 0.14 -0.31 0.07 -0.69 -0.29 0.00 0.00 176.35 175.26 2hi6 s VAL 19 N 1.43 4.61 0.02 1.68 1.01 -1.26 0.30 120.40 128.19 2hi6 s VAL 19 Ca -0.01 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2hi6 s VAL 19 Cb -0.19 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 2hi6 s VAL 19 CO 0.03 0.40 -0.05 0.42 0.00 0.00 0.00 175.10 175.90 2hi6 s THR 20 N 0.91 0.35 -0.07 3.92 -4.23 0.69 -4.79 115.64 112.41 2hi6 s THR 20 Ca 0.04 -0.59 0.11 0.00 -1.18 0.00 0.00 61.69 60.07 2hi6 s THR 20 Cb -0.14 -0.37 0.16 0.00 1.34 0.00 0.00 72.50 73.49 2hi6 s THR 20 CO 0.03 -0.17 1.08 2.29 -0.54 0.00 0.00 174.62 177.31 2hi6 n LYS 21 N 2.25 0.71 -2.71 3.99 2.85 -1.26 -3.65 118.16 120.34 2hi6 n LYS 21 Ca -0.18 -1.89 -0.42 0.00 -1.05 0.00 0.00 58.31 54.77 2hi6 n LYS 21 Cb 0.57 -1.05 -0.03 0.00 -0.65 0.00 0.00 35.03 33.87 2hi6 n LYS 21 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2hi6 s GLU 22 N -1.60 4.41 -0.47 -1.58 0.41 -1.26 -4.83 118.70 113.78 2hi6 s GLU 22 Ca 0.18 1.34 -0.29 0.00 -0.41 0.00 0.00 54.97 55.80 2hi6 s GLU 22 Cb 0.16 -3.54 0.02 0.00 -1.78 0.00 0.00 34.13 28.99 2hi6 s GLU 22 CO 0.01 -0.31 1.27 -0.47 -0.49 0.00 0.00 175.26 175.27 2hi6 s TYR 23 N 2.01 2.60 0.00 1.61 5.04 -1.26 -4.62 117.35 122.73 2hi6 s TYR 23 Ca 0.47 0.66 0.00 0.00 -2.44 0.00 0.00 57.07 55.76 2hi6 s TYR 23 Cb -0.18 -4.40 0.00 0.00 0.35 0.00 0.00 41.96 37.73 2hi6 s TYR 23 CO 0.17 -1.61 0.09 -0.89 -1.34 0.00 0.00 175.55 171.97 2hi6 n ILE 24 N 6.94 0.00 -1.66 3.14 5.41 -1.25 -5.00 119.36 126.94 2hi6 n ILE 24 Ca 0.14 -0.39 -0.09 0.00 1.00 0.00 0.00 62.75 63.40 2hi6 n ILE 24 Cb 0.49 1.05 -0.03 0.00 -0.71 0.00 0.00 39.64 40.44 2hi6 n ILE 24 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2hi6 n SER 25 N -0.59 -2.71 -1.04 4.38 3.41 -1.00 -1.14 113.62 114.92 2hi6 n SER 25 Ca 0.00 0.24 -0.14 0.00 -0.26 0.00 0.00 58.87 58.72 2hi6 n SER 25 Cb 0.01 -2.56 -0.06 0.00 -0.26 0.00 0.00 64.21 61.35 2hi6 n SER 25 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2hi6 n PHE 26 N -2.13 0.00 0.44 7.33 3.01 -1.26 -4.67 117.46 120.18 2hi6 n PHE 26 Ca -0.10 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.32 2hi6 n PHE 26 Cb 0.40 -2.61 0.06 0.00 -0.01 0.00 0.00 39.48 37.32 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 -1.54 3.50 0.00 4.37 7.99 -0.29 -4.06 117.00 126.96 2hi6 n LEU 27 Ca -0.14 -1.80 0.00 0.00 -0.01 0.00 0.00 56.01 54.07 2hi6 n LEU 27 Cb 0.51 -0.58 0.00 0.00 -0.11 0.00 0.00 43.42 43.24 2hi6 n LEU 27 CO 0.21 0.56 0.00 0.61 -1.51 0.00 0.00 177.39 177.26 2hi6 n GLY 28 N 0.10 0.61 0.00 -0.72 0.00 -1.26 -5.07 105.19 98.85 2hi6 n GLY 28 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 5.00 -1.38 3.69 -0.02 0.00 -1.26 -4.92 105.19 106.29 2hi6 n GLY 29 Ca 0.00 0.97 -0.38 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 5.17 0.08 -0.61 1.01 -1.26 -0.67 121.20 124.92 2hi6 s ILE 30 Ca 0.00 0.85 -0.31 0.00 0.00 0.00 0.00 60.65 61.20 2hi6 s ILE 30 Cb 0.00 -3.79 -0.09 0.00 0.01 0.00 0.00 42.46 38.59 2hi6 s ILE 30 CO 0.00 0.26 1.75 -0.62 0.00 0.00 0.00 174.94 176.33 2hi6 s ASP 31 N 0.92 6.53 0.00 3.58 2.15 0.70 -4.87 116.67 125.68 2hi6 s ASP 31 Ca 0.23 2.59 0.20 0.00 0.43 0.00 0.00 52.55 56.00 2hi6 s ASP 31 Cb -0.15 -2.56 0.95 0.00 -0.30 0.00 0.00 42.92 40.87 2hi6 s ASP 31 CO 0.09 -0.95 1.65 2.29 -0.17 0.00 0.00 175.17 178.08 2hi6 n LYS 32 N 5.91 1.38 -0.11 4.34 2.85 -1.26 -0.04 118.16 131.23 2hi6 n LYS 32 Ca 0.17 -0.57 -0.14 0.00 -1.05 0.00 0.00 58.31 56.72 2hi6 n LYS 32 Cb 0.40 -1.35 -0.12 0.00 -0.65 0.00 0.00 35.03 33.30 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 -0.22 0.70 -0.00 -1.58 -0.58 -1.26 -4.69 120.64 113.00 2hi6 n GLU 33 Ca 0.15 0.09 0.04 0.00 -0.42 0.00 0.00 57.16 57.03 2hi6 n GLU 33 Cb 0.20 -1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.54 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 -3.05 0.00 -1.55 2.62 -2.24 -1.22 -5.01 114.28 103.83 2hi6 n THR 34 Ca -0.39 -0.18 -0.02 0.00 -2.27 0.00 0.00 64.05 61.19 2hi6 n THR 34 Cb 1.00 0.39 -0.00 0.00 -2.10 0.00 0.00 70.33 69.62 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 2.00 0.41 3.64 3.38 0.00 0.94 -4.92 105.19 110.64 2hi6 n GLY 35 Ca -0.01 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.09 5.01 -0.27 -0.61 -1.09 -1.22 -2.63 121.20 118.30 2hi6 s ILE 36 Ca 0.00 0.05 -0.29 0.00 -2.23 0.00 0.00 60.65 58.18 2hi6 s ILE 36 Cb 0.00 -3.29 -0.03 0.00 -1.58 0.00 0.00 42.46 37.56 2hi6 s ILE 36 CO 0.00 0.42 1.82 -0.69 -1.23 0.00 0.00 174.94 175.26 2hi6 s VAL 37 N 0.63 3.44 -0.06 2.92 1.01 -0.99 -0.21 120.40 127.15 2hi6 s VAL 37 Ca 0.05 0.47 0.13 0.00 0.00 0.00 0.00 61.98 62.63 2hi6 s VAL 37 Cb -0.13 -3.55 -0.16 0.00 0.00 0.00 0.00 36.38 32.55 2hi6 s VAL 37 CO 0.01 -0.31 0.92 0.11 0.00 0.00 0.00 175.10 175.82 2hi6 h LYS 38 N 12.57 0.00 -6.56 2.72 1.79 -1.24 -2.79 116.57 123.06 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 1.18 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.86 2hi6 h LYS 38 CO 1.01 0.51 0.77 -2.00 -1.08 0.00 0.00 179.45 178.66 2hi6 s GLU 39 N -2.77 4.29 0.15 3.15 2.56 -0.85 -4.95 118.70 120.28 2hi6 s GLU 39 Ca -0.02 2.15 -0.30 0.00 0.00 0.00 0.00 54.97 56.80 2hi6 s GLU 39 Cb 0.08 -3.24 -0.07 0.00 2.00 0.00 0.00 34.13 32.91 2hi6 s GLU 39 CO 0.81 -0.49 1.16 0.34 -0.56 0.00 0.00 175.26 176.52 2hi6 s ASP 40 N 1.16 7.14 -0.17 -1.70 -1.08 -1.26 -4.68 116.67 116.08 2hi6 s ASP 40 Ca 0.66 2.12 0.06 0.00 -0.52 0.00 0.00 52.55 54.88 2hi6 s ASP 40 Cb -0.39 -2.60 0.20 0.00 -1.46 0.00 0.00 42.92 38.68 2hi6 s ASP 40 CO 0.30 -0.35 1.24 0.00 0.52 0.00 0.00 175.17 176.89 2hi6 n GLU 42 N -0.78 0.00 -0.98 0.00 -0.58 -1.26 -4.57 120.64 112.47 2hi6 n GLU 42 Ca -0.22 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.35 2hi6 n GLU 42 Cb 0.78 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.65 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 0.00 2.83 -2.36 -3.67 -5.35 -1.26 -4.92 119.36 104.63 2hi6 n ILE 43 Ca 0.00 -1.81 -0.42 0.00 -0.27 0.00 0.00 62.75 60.25 2hi6 n ILE 43 Cb 0.00 -1.43 -0.03 0.00 -1.74 0.00 0.00 39.64 36.44 2hi6 n ILE 43 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2hi6 s LYS 44 N -1.53 4.36 0.00 6.28 2.20 -1.26 -2.77 119.74 127.02 2hi6 s LYS 44 Ca 0.36 1.82 0.00 0.00 -0.36 0.00 0.00 55.97 57.78 2hi6 s LYS 44 Cb 0.25 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 2hi6 s LYS 44 CO -0.05 -0.41 0.00 0.41 -0.36 0.00 0.00 175.35 174.95 2hi6 n GLY 45 N 3.39 0.76 3.81 5.54 0.00 -1.05 -5.04 105.19 112.60 2hi6 n GLY 45 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.49 3.96 -0.18 1.61 0.41 -1.12 -4.83 118.70 118.08 2hi6 s GLU 46 Ca 0.00 1.22 -0.08 0.00 -0.41 0.00 0.00 54.97 55.70 2hi6 s GLU 46 Cb 0.00 -2.13 -0.05 0.00 -1.78 0.00 0.00 34.13 30.18 2hi6 s GLU 46 CO 0.00 -0.28 0.11 0.45 -0.49 0.00 0.00 175.26 175.05 2hi6 s SER 47 N -2.19 6.03 0.00 -0.19 0.15 -1.26 -2.34 113.70 113.90 2hi6 s SER 47 Ca 0.64 0.22 0.17 0.00 0.70 0.00 0.00 55.95 57.68 2hi6 s SER 47 Cb -0.13 -2.03 0.30 0.00 -1.71 0.00 0.00 66.02 62.45 2hi6 s SER 47 CO 0.19 0.22 1.21 1.33 1.20 0.00 0.00 173.24 177.39 2hi6 n VAL 48 N 3.23 0.47 -2.25 4.45 0.24 -1.08 -4.86 118.33 118.53 2hi6 n VAL 48 Ca -0.17 -0.74 -0.34 0.00 -2.04 0.00 0.00 64.34 61.06 2hi6 n VAL 48 Cb 0.53 0.95 -0.04 0.00 -1.47 0.00 0.00 33.84 33.81 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 -1.24 2.14 0.00 2.33 0.00 -1.23 -2.28 121.76 121.48 2hi6 s ALA 49 Ca 0.28 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.62 2hi6 s ALA 49 Cb 0.17 -4.49 0.00 0.00 0.00 0.00 0.00 23.12 18.80 2hi6 s ALA 49 CO 0.23 -4.20 0.00 0.41 0.00 0.00 0.00 175.76 172.20 2hi6 n GLY 50 N 6.59 1.17 3.86 0.00 0.00 -1.06 -4.96 105.19 110.79 2hi6 n GLY 50 Ca 0.32 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.57 2.30 -0.22 1.61 0.52 -0.97 -4.52 118.95 117.10 2hi6 s ARG 51 Ca 0.00 -1.91 -0.05 0.00 -0.52 0.00 0.00 55.73 53.25 2hi6 s ARG 51 Cb 0.00 -2.11 -0.02 0.00 0.52 0.00 0.00 34.95 33.35 2hi6 s ARG 51 CO 0.00 -0.43 -0.01 0.42 0.02 0.00 0.00 175.30 175.29 2hi6 s ILE 52 N -2.69 3.66 -0.25 1.52 1.01 0.42 0.05 121.20 124.92 2hi6 s ILE 52 Ca 0.37 -0.40 -0.19 0.00 0.00 0.00 0.00 60.65 60.43 2hi6 s ILE 52 Cb -0.01 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 2hi6 s ILE 52 CO 0.22 0.41 0.55 -0.22 0.00 0.00 0.00 174.94 175.90 2hi6 s LEU 53 N 1.38 4.06 -0.42 2.97 2.96 -0.00 -0.32 118.68 129.30 2hi6 s LEU 53 Ca 0.05 0.59 -0.13 0.00 -0.22 0.00 0.00 54.13 54.41 2hi6 s LEU 53 Cb -0.14 -2.73 0.04 0.00 0.50 0.00 0.00 46.19 43.86 2hi6 s LEU 53 CO -0.01 -0.31 0.30 -0.69 -1.32 0.00 0.00 176.35 174.33 2hi6 s VAL 54 N 2.33 4.95 0.01 1.68 1.01 0.15 -0.37 120.40 130.15 2hi6 s VAL 54 Ca 0.23 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2hi6 s VAL 54 Cb -0.16 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 2hi6 s VAL 54 CO 0.09 -0.40 -0.09 0.12 0.00 0.00 0.00 175.10 174.83 2hi6 s PHE 55 N 1.60 0.76 0.29 5.22 5.36 -0.33 -0.22 117.98 130.67 2hi6 s PHE 55 Ca 0.04 -0.25 -0.01 0.00 -0.96 0.00 0.00 56.93 55.75 2hi6 s PHE 55 Cb -0.21 -0.47 0.44 0.00 -0.34 0.00 0.00 43.02 42.44 2hi6 s PHE 55 CO 0.07 -0.02 1.86 -1.00 -1.46 0.00 0.00 175.22 174.68 2hi6 h PRO 56 N 5.45 0.84 0.00 10.12 0.13 -1.82 -3.18 132.00 143.54 2hi6 h PRO 56 Ca -0.32 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2hi6 h PRO 56 Cb 1.19 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2hi6 h PRO 56 CO 0.47 0.71 0.00 0.41 -0.23 0.00 0.00 178.00 179.36 2hi6 n GLY 57 N -0.98 -0.13 0.00 1.56 0.00 -1.26 -0.78 105.19 103.60 2hi6 n GLY 57 Ca 0.05 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 5.43 0.69 -0.02 0.00 -1.21 -2.37 105.19 107.71 2hi6 n GLY 58 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2hi6 n GLY 58 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hi6 n LYS 59 N 0.00 0.00 -3.35 1.61 4.81 -1.26 -4.77 118.16 115.19 2hi6 n LYS 59 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.05 2hi6 n LYS 59 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 2hi6 n LYS 59 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hi6 n GLY 60 N -1.32 4.58 3.98 3.14 0.00 -1.26 -4.93 105.19 109.38 2hi6 n GLY 60 Ca 0.00 -2.65 -0.22 0.00 0.00 0.00 0.00 46.02 43.15 2hi6 n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hi6 s SER 61 N -0.74 4.91 0.00 1.61 0.01 -1.26 -5.03 113.70 113.20 2hi6 s SER 61 Ca 0.31 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.56 2hi6 s SER 61 Cb -0.00 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2hi6 s SER 61 CO -0.03 -1.23 0.00 0.41 0.41 0.00 0.00 173.24 172.81 2hi6 n THR 62 N -2.03 0.00 -3.27 1.44 -1.04 -1.26 -4.97 114.28 103.15 2hi6 n THR 62 Ca 0.08 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.71 2hi6 n THR 62 Cb 0.63 -0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.08 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 -1.01 4.74 0.00 12.58 1.01 -1.26 -4.52 120.40 131.93 2hi6 s VAL 63 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.14 2hi6 s VAL 63 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2hi6 s VAL 63 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2hi6 n GLY 64 N 1.45 0.31 0.00 4.51 0.00 -1.26 -4.36 105.19 105.84 2hi6 n GLY 64 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2hi6 n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hi6 n SER 65 N 0.00 0.00 0.22 1.61 3.41 -1.26 -4.19 113.62 113.40 2hi6 n SER 65 Ca 0.00 0.17 0.07 0.00 -0.26 0.00 0.00 58.87 58.84 2hi6 n SER 65 Cb 0.00 -0.34 0.50 0.00 -0.26 0.00 0.00 64.21 64.11 2hi6 n SER 65 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 2hi6 h TYR 66 N 0.00 0.00 -0.11 7.33 0.05 -1.90 -2.35 116.97 119.99 2hi6 h TYR 66 Ca 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 2hi6 h TYR 66 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 2hi6 h TYR 66 CO 0.00 0.26 -0.31 -0.39 -1.05 0.00 0.00 178.16 176.67 2hi6 h VAL 67 N 0.00 1.26 -0.28 -2.88 -1.51 -1.96 -0.99 116.25 109.88 2hi6 h VAL 67 Ca -0.00 -1.23 -0.14 0.00 -1.23 0.00 0.00 66.70 64.10 2hi6 h VAL 67 Cb 0.52 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 2hi6 h VAL 67 CO 0.03 0.37 -0.39 -0.07 -1.23 0.00 0.00 177.57 176.29 2hi6 h LEU 68 N 0.19 0.69 -0.63 4.19 -0.00 -1.59 -0.60 115.31 117.57 2hi6 h LEU 68 Ca 0.03 -0.30 -0.10 0.00 -0.00 0.00 0.00 57.88 57.50 2hi6 h LEU 68 Cb 0.64 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 41.09 2hi6 h LEU 68 CO 0.05 1.00 0.00 0.25 -0.00 0.00 0.00 178.44 179.74 2hi6 h LEU 69 N 0.54 1.06 -0.14 1.67 5.85 -1.41 -1.43 115.31 121.45 2hi6 h LEU 69 Ca 0.05 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2hi6 h LEU 69 Cb 0.91 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2hi6 h LEU 69 CO 0.08 1.10 0.09 0.78 -0.34 0.00 0.00 178.44 180.16 2hi6 h ASN 70 N 0.98 0.16 -0.34 1.25 -0.26 -0.91 -0.46 115.58 116.02 2hi6 h ASN 70 Ca 0.17 -0.01 0.03 0.00 -0.56 0.00 0.00 56.30 55.94 2hi6 h ASN 70 Cb 0.56 -0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 37.75 2hi6 h ASN 70 CO 0.03 0.12 0.13 -0.07 -1.06 0.00 0.00 177.43 176.58 2hi6 h LEU 71 N 0.19 0.16 -0.83 1.61 3.38 -0.93 -2.48 115.31 116.41 2hi6 h LEU 71 Ca 0.05 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2hi6 h LEU 71 Cb -0.02 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2hi6 h LEU 71 CO -0.01 0.13 -0.07 -0.09 0.09 0.00 0.00 178.44 178.49 2hi6 h ARG 72 N 0.28 0.81 -0.02 1.13 1.12 -1.09 -0.04 114.38 116.58 2hi6 h ARG 72 Ca 0.15 -0.25 -0.01 0.00 -1.11 0.00 0.00 59.98 58.75 2hi6 h ARG 72 Cb 0.11 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 29.99 2hi6 h ARG 72 CO -0.14 0.86 -0.06 0.87 -3.11 0.00 0.00 179.97 178.39 2hi6 h LYS 73 N 0.74 0.03 0.00 0.20 1.79 -0.66 -1.09 116.57 117.58 2hi6 h LYS 73 Ca 0.13 -0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.52 2hi6 h LYS 73 Cb 0.55 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 2hi6 h LYS 73 CO 0.03 0.09 -1.16 -0.97 -1.08 0.00 0.00 179.45 176.36 2hi6 h ASN 74 N 0.03 0.00 0.00 0.86 -0.73 -1.03 -3.48 115.58 111.23 2hi6 h ASN 74 Ca 0.01 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.18 2hi6 h ASN 74 Cb 0.12 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.71 2hi6 h ASN 74 CO 0.01 0.28 0.00 0.61 -0.37 0.00 0.00 177.43 177.96 2hi6 n GLY 75 N 1.28 0.72 1.04 1.57 0.00 -0.33 -4.95 105.19 104.52 2hi6 n GLY 75 Ca -0.04 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.49 1.56 -2.86 1.61 0.24 -0.18 -4.67 118.33 111.55 2hi6 n VAL 76 Ca 0.00 -1.27 -0.28 0.00 -2.04 0.00 0.00 64.34 60.75 2hi6 n VAL 76 Cb 0.00 0.21 -0.01 0.00 -1.47 0.00 0.00 33.84 32.56 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 -1.69 3.44 0.40 2.33 0.00 -1.09 -3.49 121.76 121.65 2hi6 s ALA 77 Ca 0.38 -0.47 -0.26 0.00 0.00 0.00 0.00 51.96 51.61 2hi6 s ALA 77 Cb 0.25 -2.54 -0.09 0.00 0.00 0.00 0.00 23.12 20.74 2hi6 s ALA 77 CO 0.18 -0.15 1.23 -2.14 0.00 0.00 0.00 175.76 174.88 2hi6 s PRO 78 N -4.30 4.05 0.39 0.00 0.02 -1.09 -2.56 135.00 131.50 2hi6 s PRO 78 Ca 0.47 1.99 0.07 0.00 0.02 0.00 0.00 61.00 63.55 2hi6 s PRO 78 Cb -0.10 -2.75 0.78 0.00 0.02 0.00 0.00 34.50 32.45 2hi6 s PRO 78 CO 0.38 -0.37 1.99 0.87 -0.33 0.00 0.00 177.00 179.54 2hi6 h LYS 79 N 2.73 0.50 -2.95 5.54 1.57 -0.62 -3.45 116.57 119.89 2hi6 h LYS 79 Ca -0.49 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.16 2hi6 h LYS 79 Cb 1.24 -0.10 -0.16 0.00 0.08 0.00 0.00 32.23 33.29 2hi6 h LYS 79 CO 0.63 0.41 -0.04 0.00 -0.57 0.00 0.00 179.45 179.88 2hi6 s ALA 80 N -5.26 -1.14 -0.20 3.86 0.00 -1.25 -4.18 121.76 113.59 2hi6 s ALA 80 Ca -0.08 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.29 2hi6 s ALA 80 Cb 0.17 0.40 0.04 0.00 0.00 0.00 0.00 23.12 23.73 2hi6 s ALA 80 CO 0.74 -0.50 -0.10 0.96 0.00 0.00 0.00 175.76 176.86 2hi6 s ILE 81 N -2.59 1.60 -0.31 0.00 -4.36 -1.24 -0.82 121.20 113.48 2hi6 s ILE 81 Ca -0.04 -0.98 -0.10 0.00 -0.26 0.00 0.00 60.65 59.27 2hi6 s ILE 81 Cb -0.01 -1.68 -0.02 0.00 1.25 0.00 0.00 42.46 42.00 2hi6 s ILE 81 CO -0.03 0.17 0.17 -0.63 0.24 0.00 0.00 174.94 174.86 2hi6 s ILE 82 N 1.41 4.84 0.49 8.37 -1.09 0.50 -2.87 121.20 132.85 2hi6 s ILE 82 Ca -0.01 -0.25 0.04 0.00 -2.23 0.00 0.00 60.65 58.20 2hi6 s ILE 82 Cb -0.16 -3.42 -0.01 0.00 -1.58 0.00 0.00 42.46 37.29 2hi6 s ILE 82 CO -0.08 0.11 0.18 0.20 -1.23 0.00 0.00 174.94 174.12 2hi6 s ASN 83 N 1.66 4.36 -0.24 3.58 0.02 0.17 -1.18 114.94 123.30 2hi6 s ASN 83 Ca 0.06 -1.36 0.01 0.00 -1.02 0.00 0.00 52.86 50.54 2hi6 s ASN 83 Cb -0.17 0.20 -0.15 0.00 0.02 0.00 0.00 41.25 41.14 2hi6 s ASN 83 CO 0.08 -0.84 -0.22 1.17 0.02 0.00 0.00 177.10 177.30 2hi6 n LYS 84 N -1.41 0.60 -3.97 -0.60 4.81 0.04 0.48 118.16 118.10 2hi6 n LYS 84 Ca -0.08 0.15 -0.30 0.00 -0.87 0.00 0.00 58.31 57.21 2hi6 n LYS 84 Cb 0.65 -1.48 -0.16 0.00 0.02 0.00 0.00 35.03 34.07 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 -2.48 1.91 0.50 1.64 -0.14 -0.29 -4.17 119.74 116.70 2hi6 s LYS 85 Ca -0.33 -0.80 -0.15 0.00 -1.36 0.00 0.00 55.97 53.33 2hi6 s LYS 85 Cb 0.09 -2.36 -0.07 0.00 -1.68 0.00 0.00 37.83 33.80 2hi6 s LYS 85 CO 0.55 -0.44 0.95 -0.08 -0.76 0.00 0.00 175.35 175.57 2hi6 s THR 86 N 1.43 4.59 0.01 2.17 -1.32 -1.26 -3.30 115.64 117.97 2hi6 s THR 86 Ca -0.01 1.08 0.06 0.00 -1.21 0.00 0.00 61.69 61.61 2hi6 s THR 86 Cb -0.16 -3.74 -0.02 0.00 -1.51 0.00 0.00 72.50 67.07 2hi6 s THR 86 CO -0.08 -0.70 -0.18 -0.70 -2.21 0.00 0.00 174.62 170.75 2hi6 s GLU 87 N -4.12 1.35 0.13 7.08 -6.30 -1.26 -4.84 118.70 110.74 2hi6 s GLU 87 Ca 0.57 -0.75 -0.20 0.00 -2.50 0.00 0.00 54.97 52.09 2hi6 s GLU 87 Cb -0.10 -1.37 -0.04 0.00 0.00 0.00 0.00 34.13 32.63 2hi6 s GLU 87 CO 0.33 0.36 1.71 1.15 0.02 0.00 0.00 175.26 178.83 2hi6 h THR 88 N 4.56 0.81 -0.34 -1.70 2.02 -1.98 0.84 112.91 117.12 2hi6 h THR 88 Ca -0.39 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 2hi6 h THR 88 Cb 1.16 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 2hi6 h THR 88 CO 0.46 0.00 0.05 0.40 0.37 0.00 0.00 175.52 176.80 2hi6 h ILE 89 N -0.00 1.24 -0.72 3.11 2.04 -1.95 -2.16 117.51 119.06 2hi6 h ILE 89 Ca 0.09 -0.84 -0.06 0.00 1.00 0.00 0.00 64.86 65.06 2hi6 h ILE 89 Cb 0.14 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 2hi6 h ILE 89 CO -0.19 0.28 0.23 0.40 0.00 0.00 0.00 178.15 178.87 2hi6 h ILE 90 N 0.40 1.26 -0.83 -0.67 2.04 -1.76 -2.32 117.51 115.63 2hi6 h ILE 90 Ca 0.10 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.07 2hi6 h ILE 90 Cb 0.36 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 2hi6 h ILE 90 CO 0.01 0.35 0.53 0.00 0.00 0.00 0.00 178.15 179.03 2hi6 h ALA 91 N 1.11 1.05 -0.48 1.87 0.00 -0.60 -0.41 119.26 121.79 2hi6 h ALA 91 Ca 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2hi6 h ALA 91 Cb 0.30 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2hi6 h ALA 91 CO -0.01 0.49 0.26 0.28 0.00 0.00 0.00 179.25 180.26 2hi6 h VAL 92 N 1.13 1.18 -0.44 0.00 2.07 -1.07 0.05 116.25 119.16 2hi6 h VAL 92 Ca 0.30 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2hi6 h VAL 92 Cb -0.09 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2hi6 h VAL 92 CO -0.06 0.19 0.20 1.23 0.02 0.00 0.00 177.57 179.15 2hi6 h GLY 93 N 0.64 0.69 1.91 2.17 0.00 -0.88 -1.77 103.07 105.83 2hi6 h GLY 93 Ca 0.17 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 2hi6 h GLY 93 CO -0.03 0.33 -0.33 0.00 0.00 0.00 0.00 176.54 176.52 2hi6 h ALA 94 N 1.05 1.36 -0.52 3.60 0.00 -0.92 -1.92 119.26 121.90 2hi6 h ALA 94 Ca 0.15 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2hi6 h ALA 94 Cb 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2hi6 h ALA 94 CO -0.02 0.46 -0.01 0.00 0.00 0.00 0.00 179.25 179.68 2hi6 h ALA 95 N 1.58 0.99 -0.30 0.00 0.00 -0.54 0.21 119.26 121.20 2hi6 h ALA 95 Ca 0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2hi6 h ALA 95 Cb 0.62 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2hi6 h ALA 95 CO 0.05 0.62 0.09 0.52 0.00 0.00 0.00 179.25 180.52 2hi6 h MET 96 N 0.83 0.48 -0.00 0.00 2.86 -0.80 -2.83 114.93 115.47 2hi6 h MET 96 Ca 0.15 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2hi6 h MET 96 Cb 0.51 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2hi6 h MET 96 CO 0.03 0.53 -0.00 0.00 1.06 0.00 0.00 176.91 178.53 2hi6 n ALA 97 N -2.30 2.63 -3.60 6.32 0.00 -0.77 -4.89 120.51 117.90 2hi6 n ALA 97 Ca -0.02 -0.19 -0.23 0.00 0.00 0.00 0.00 53.44 53.00 2hi6 n ALA 97 Cb 0.17 -1.51 0.07 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.07 -7.20 -3.46 0.00 1.02 -0.14 -4.95 120.64 104.84 2hi6 n GLU 98 Ca 0.21 0.80 -0.43 0.00 -0.02 0.00 0.00 57.16 57.71 2hi6 n GLU 98 Cb 0.15 -5.80 -0.05 0.00 -0.02 0.00 0.00 31.44 25.72 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 -3.35 4.94 -0.73 -3.67 -1.09 0.57 -5.00 121.20 112.88 2hi6 s ILE 99 Ca 0.41 -2.55 -0.29 0.00 -2.23 0.00 0.00 60.65 55.99 2hi6 s ILE 99 Cb -0.19 -4.11 -0.14 0.00 -1.58 0.00 0.00 42.46 36.44 2hi6 s ILE 99 CO 0.75 -0.96 2.55 -0.81 -1.23 0.00 0.00 174.94 175.23 2hi6 n PRO 100 N 3.92 0.54 -4.01 2.79 -0.04 -1.26 -4.67 135.00 132.26 2hi6 n PRO 100 Ca 0.10 0.01 -0.36 0.00 -0.04 0.00 0.00 63.50 63.21 2hi6 n PRO 100 Cb 0.43 -2.47 -0.08 0.00 -0.04 0.00 0.00 33.50 31.35 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 10.50 4.06 0.10 1.53 0.05 -1.26 -3.66 118.68 130.00 2hi6 s LEU 101 Ca 1.17 0.29 0.02 0.00 0.05 0.00 0.00 54.13 55.66 2hi6 s LEU 101 Cb -0.73 -1.99 -0.04 0.00 -2.05 0.00 0.00 46.19 41.38 2hi6 s LEU 101 CO 0.38 0.33 -0.07 0.68 -0.55 0.00 0.00 176.35 177.12 2hi6 s VAL 102 N -0.58 0.76 -0.05 1.48 -7.23 -1.14 -2.11 120.40 111.53 2hi6 s VAL 102 Ca 0.11 -1.89 0.06 0.00 -1.81 0.00 0.00 61.98 58.45 2hi6 s VAL 102 Cb -0.12 -1.63 -0.01 0.00 0.56 0.00 0.00 36.38 35.18 2hi6 s VAL 102 CO 0.02 -0.82 -0.24 -1.83 -0.31 0.00 0.00 175.10 171.93 2hi6 s GLU 103 N -3.65 2.39 -0.34 4.82 -1.05 -0.42 -0.66 118.70 119.80 2hi6 s GLU 103 Ca 0.11 -0.86 -0.00 0.00 -0.15 0.00 0.00 54.97 54.07 2hi6 s GLU 103 Cb 0.04 -2.05 0.08 0.00 -0.44 0.00 0.00 34.13 31.76 2hi6 s GLU 103 CO -0.04 0.37 0.06 0.08 0.95 0.00 0.00 175.26 176.68 2hi6 s VAL 104 N -0.15 2.84 -0.12 1.83 1.01 0.18 -1.64 120.40 124.34 2hi6 s VAL 104 Ca -0.03 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.15 2hi6 s VAL 104 Cb -0.13 -2.82 0.11 0.00 0.00 0.00 0.00 36.38 33.54 2hi6 s VAL 104 CO 0.03 -0.37 1.67 -2.11 0.00 0.00 0.00 175.10 174.32 2hi6 n ARG 105 N 4.52 1.31 -3.99 2.72 1.85 -1.26 -4.16 116.66 117.65 2hi6 n ARG 105 Ca -0.07 -0.66 -0.12 0.00 -1.00 0.00 0.00 57.85 56.01 2hi6 n ARG 105 Cb 0.42 -1.26 -0.13 0.00 -1.05 0.00 0.00 32.46 30.45 2hi6 n ARG 105 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2hi6 s ASP 106 N 0.92 0.34 0.44 2.89 -1.08 -1.26 -5.04 116.67 113.89 2hi6 s ASP 106 Ca 0.13 -0.28 0.24 0.00 -0.52 0.00 0.00 52.55 52.12 2hi6 s ASP 106 Cb 0.10 0.03 0.94 0.00 -1.46 0.00 0.00 42.92 42.53 2hi6 s ASP 106 CO 0.01 -0.12 1.84 -0.08 0.52 0.00 0.00 175.17 177.33 2hi6 h GLU 107 N 5.33 0.00 0.00 4.34 4.57 -2.02 -3.12 114.58 123.68 2hi6 h GLU 107 Ca -0.29 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.88 2hi6 h GLU 107 Cb 1.21 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2hi6 h GLU 107 CO 0.46 0.22 -0.01 0.87 -1.18 0.00 0.00 179.01 179.36 2hi6 h LYS 108 N 0.00 0.00 -0.33 1.92 1.57 -1.96 -1.13 116.57 116.65 2hi6 h LYS 108 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2hi6 h LYS 108 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2hi6 h LYS 108 CO 0.03 0.01 0.19 0.35 -0.57 0.00 0.00 179.45 179.46 2hi6 h PHE 109 N 0.00 0.44 0.00 -1.35 3.57 -1.91 -1.38 116.94 116.31 2hi6 h PHE 109 Ca -0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2hi6 h PHE 109 Cb 0.02 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 2hi6 h PHE 109 CO 0.00 0.34 -0.16 0.74 -2.23 0.00 0.00 178.31 177.00 2hi6 h PHE 110 N 0.42 0.00 0.13 0.41 -1.00 -1.42 -1.32 116.94 114.17 2hi6 h PHE 110 Ca 0.12 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.62 2hi6 h PHE 110 Cb 0.04 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.61 2hi6 h PHE 110 CO -0.03 0.16 -1.24 0.93 -1.61 0.00 0.00 178.31 176.51 2hi6 h GLU 111 N 0.00 0.39 0.19 1.51 4.39 -1.13 -3.37 114.58 116.55 2hi6 h GLU 111 Ca -0.00 -0.60 -0.26 0.00 0.34 0.00 0.00 59.36 58.84 2hi6 h GLU 111 Cb 0.72 0.21 0.03 0.00 -0.10 0.00 0.00 28.75 29.61 2hi6 h GLU 111 CO 0.02 1.26 -1.17 0.00 -1.16 0.00 0.00 179.01 177.96 2hi6 h ALA 112 N 0.49 -0.09 -2.70 3.43 0.00 -0.91 -3.45 119.26 116.03 2hi6 h ALA 112 Ca -0.16 -0.81 -0.50 0.00 0.00 0.00 0.00 54.91 53.45 2hi6 h ALA 112 Cb 1.94 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.88 2hi6 h ALA 112 CO 0.22 0.56 0.36 0.54 0.00 0.00 0.00 179.25 180.93 2hi6 s VAL 113 N -2.51 4.19 0.14 0.00 0.11 -0.53 -5.05 120.40 116.74 2hi6 s VAL 113 Ca -0.12 2.07 0.10 0.00 -2.93 0.00 0.00 61.98 61.09 2hi6 s VAL 113 Cb 0.03 -4.32 -0.04 0.00 -1.53 0.00 0.00 36.38 30.52 2hi6 s VAL 113 CO 0.88 0.44 -0.23 -0.54 -3.33 0.00 0.00 175.10 172.32 2hi6 s LYS 114 N -0.82 1.29 -0.76 1.54 1.02 -1.26 -4.84 119.74 115.91 2hi6 s LYS 114 Ca 0.43 -1.32 -0.26 0.00 0.02 0.00 0.00 55.97 54.84 2hi6 s LYS 114 Cb -0.25 -1.60 -0.02 0.00 -0.52 0.00 0.00 37.83 35.44 2hi6 s LYS 114 CO 0.32 0.36 1.80 0.99 -0.92 0.00 0.00 175.35 177.90 2hi6 s THR 115 N -1.37 3.47 0.00 2.17 2.01 -1.25 -2.34 115.64 118.32 2hi6 s THR 115 Ca 0.13 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.08 2hi6 s THR 115 Cb -0.09 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.28 2hi6 s THR 115 CO 0.06 -1.09 0.00 0.61 -0.69 0.00 0.00 174.62 173.51 2hi6 n GLY 116 N 6.16 0.76 3.85 4.40 0.00 -0.66 -4.96 105.19 114.74 2hi6 n GLY 116 Ca 0.26 0.00 -0.30 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 0.00 4.60 -0.22 1.61 1.01 -0.99 -4.76 116.67 117.92 2hi6 s ASP 117 Ca 0.00 1.06 -0.06 0.00 0.71 0.00 0.00 52.55 54.26 2hi6 s ASP 117 Cb 0.00 -1.72 -0.03 0.00 1.01 0.00 0.00 42.92 42.19 2hi6 s ASP 117 CO 0.00 -1.87 0.03 -0.60 0.21 0.00 0.00 175.17 172.94 2hi6 s ARG 118 N -5.35 3.63 -0.03 8.23 3.00 0.00 -0.37 118.95 128.07 2hi6 s ARG 118 Ca 0.61 -0.50 0.07 0.00 -1.00 0.00 0.00 55.73 54.91 2hi6 s ARG 118 Cb -0.13 -3.17 -0.02 0.00 0.00 0.00 0.00 34.95 31.64 2hi6 s ARG 118 CO 0.52 -0.06 -0.25 0.08 0.00 0.00 0.00 175.30 175.59 2hi6 s VAL 119 N 1.23 2.12 -0.27 7.11 1.01 -0.28 -0.64 120.40 130.69 2hi6 s VAL 119 Ca 0.04 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.94 2hi6 s VAL 119 Cb -0.15 -1.74 0.05 0.00 0.00 0.00 0.00 36.38 34.54 2hi6 s VAL 119 CO 0.02 0.58 -0.07 -0.69 0.00 0.00 0.00 175.10 174.94 2hi6 s VAL 120 N -0.55 2.61 -0.27 2.92 1.01 -0.27 -1.92 120.40 123.93 2hi6 s VAL 120 Ca 0.08 -1.36 -0.07 0.00 0.00 0.00 0.00 61.98 60.63 2hi6 s VAL 120 Cb -0.11 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 2hi6 s VAL 120 CO -0.00 0.03 0.07 -0.69 0.00 0.00 0.00 175.10 174.51 2hi6 s VAL 121 N 1.22 4.08 -0.25 2.92 1.01 0.26 -0.57 120.40 129.07 2hi6 s VAL 121 Ca -0.05 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 2hi6 s VAL 121 Cb -0.19 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 2hi6 s VAL 121 CO -0.04 0.22 0.02 0.21 0.00 0.00 0.00 175.10 175.51 2hi6 s ASN 122 N 1.55 4.72 0.00 3.32 2.47 -0.85 -0.31 114.94 125.84 2hi6 s ASN 122 Ca 0.05 -0.49 0.22 0.00 0.42 0.00 0.00 52.86 53.05 2hi6 s ASN 122 Cb -0.16 -1.81 0.53 0.00 -1.45 0.00 0.00 41.25 38.36 2hi6 s ASN 122 CO 0.03 -0.08 1.46 0.00 -3.72 0.00 0.00 177.10 174.78 2hi6 n ALA 123 N 4.83 2.38 -0.21 1.71 0.00 0.17 -1.47 120.51 127.92 2hi6 n ALA 123 Ca -0.17 -1.17 -0.08 0.00 0.00 0.00 0.00 53.44 52.02 2hi6 n ALA 123 Cb 0.50 -0.86 0.02 0.00 0.00 0.00 0.00 19.45 19.11 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 4.18 0.93 0.00 0.00 3.32 -1.86 -3.37 116.42 119.63 2hi6 h ASP 124 Ca 0.00 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.76 2hi6 h ASP 124 Cb 0.97 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2hi6 h ASP 124 CO 0.00 0.94 -1.15 -1.84 -1.72 0.00 0.00 179.24 175.47 2hi6 n GLU 125 N -4.32 2.42 0.00 3.56 0.00 -1.26 -5.00 120.64 116.03 2hi6 n GLU 125 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 2hi6 n GLU 125 Cb 0.26 -1.05 0.00 0.00 0.00 0.00 0.00 31.44 30.65 2hi6 n GLU 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hi6 n GLY 126 N 3.04 0.75 3.48 -1.84 0.00 -0.89 -4.72 105.19 105.01 2hi6 n GLY 126 Ca -0.04 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 -0.60 -0.28 1.61 -0.85 -0.54 -3.67 117.35 113.02 2hi6 s TYR 127 Ca 0.00 0.84 -0.01 0.00 -0.52 0.00 0.00 57.07 57.38 2hi6 s TYR 127 Cb 0.00 0.45 0.05 0.00 0.38 0.00 0.00 41.96 42.83 2hi6 s TYR 127 CO 0.00 -0.68 -0.04 0.08 -1.52 0.00 0.00 175.55 173.38 2hi6 s VAL 128 N -2.05 2.75 -0.46 -3.49 1.01 0.45 -2.00 120.40 116.60 2hi6 s VAL 128 Ca -0.07 -1.36 -0.20 0.00 0.00 0.00 0.00 61.98 60.34 2hi6 s VAL 128 Cb -0.00 -2.55 0.04 0.00 0.00 0.00 0.00 36.38 33.86 2hi6 s VAL 128 CO 0.02 -0.02 0.64 -0.70 0.00 0.00 0.00 175.10 175.05 2hi6 s GLU 129 N 1.23 3.22 -0.36 2.72 2.12 0.26 -0.20 118.70 127.69 2hi6 s GLU 129 Ca -0.05 -0.56 -0.18 0.00 0.36 0.00 0.00 54.97 54.55 2hi6 s GLU 129 Cb -0.19 -4.00 -0.00 0.00 0.26 0.00 0.00 34.13 30.20 2hi6 s GLU 129 CO -0.03 -1.09 0.48 -1.17 -0.54 0.00 0.00 175.26 172.91 2hi6 s LEU 130 N 2.78 4.44 -0.25 2.70 2.96 0.16 -1.11 118.68 130.36 2hi6 s LEU 130 Ca 0.20 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 53.90 2hi6 s LEU 130 Cb -0.16 -2.52 0.01 0.00 0.50 0.00 0.00 46.19 44.02 2hi6 s LEU 130 CO 0.16 -0.49 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.07 2hi6 s ILE 131 N 2.32 3.44 -2.02 6.68 -1.09 0.19 -2.99 121.20 127.73 2hi6 s ILE 131 Ca 0.17 -0.70 0.32 0.00 -2.23 0.00 0.00 60.65 58.20 2hi6 s ILE 131 Cb -0.16 -2.69 0.89 0.00 -1.58 0.00 0.00 42.46 38.93 2hi6 s ILE 131 CO 0.13 0.25 2.21 -0.62 -1.23 0.00 0.00 174.94 175.68