#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 2.73 0.22 7.34 1.02 -1.26 -0.63 119.74 129.17 2hi6 s LYS 2 Ca 0.00 -2.21 -0.00 0.00 0.02 0.00 0.00 55.97 53.77 2hi6 s LYS 2 Cb 0.00 -3.95 -0.04 0.00 -0.52 0.00 0.00 37.83 33.32 2hi6 s LYS 2 CO 0.00 -1.20 0.41 -0.06 -0.92 0.00 0.00 175.35 173.58 2hi6 s PHE 3 N 0.54 3.48 -0.19 3.18 0.08 -0.17 -4.92 117.98 119.99 2hi6 s PHE 3 Ca 0.13 0.31 -0.05 0.00 0.12 0.00 0.00 56.93 57.44 2hi6 s PHE 3 Cb -0.20 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.39 2hi6 s PHE 3 CO -0.04 0.35 -0.01 0.00 -0.10 0.00 0.00 175.22 175.43 2hi6 s ALA 4 N -1.93 3.04 0.53 5.36 0.00 -1.26 -0.69 121.76 126.81 2hi6 s ALA 4 Ca 0.38 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.42 2hi6 s ALA 4 Cb -0.11 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.29 2hi6 s ALA 4 CO 0.30 -0.04 0.04 0.00 0.00 0.00 0.00 175.76 176.06 2hi6 s ARG 6 N -3.94 3.76 -0.03 0.00 3.52 0.35 -4.67 118.95 117.94 2hi6 s ARG 6 Ca 0.05 0.06 -0.30 0.00 -0.13 0.00 0.00 55.73 55.41 2hi6 s ARG 6 Cb 0.00 -3.77 -0.05 0.00 -1.56 0.00 0.00 34.95 29.58 2hi6 s ARG 6 CO 0.03 -0.61 1.37 0.00 -0.81 0.00 0.00 175.30 175.28 2hi6 s ALA 7 N 2.51 3.58 -0.24 6.12 0.00 -1.26 -0.32 121.76 132.15 2hi6 s ALA 7 Ca 0.22 0.80 -0.09 0.00 0.00 0.00 0.00 51.96 52.89 2hi6 s ALA 7 Cb -0.15 -3.59 -0.11 0.00 0.00 0.00 0.00 23.12 19.26 2hi6 s ALA 7 CO 0.13 -0.94 -0.29 -0.89 0.00 0.00 0.00 175.76 173.77 2hi6 n ILE 8 N 4.77 1.31 -3.40 0.00 2.08 -1.05 -4.94 119.36 118.12 2hi6 n ILE 8 Ca 0.13 -0.37 -0.04 0.00 0.56 0.00 0.00 62.75 63.04 2hi6 n ILE 8 Cb 0.44 -1.72 0.00 0.00 -0.75 0.00 0.00 39.64 37.61 2hi6 n ILE 8 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2hi6 n THR 9 N -3.89 0.00 -4.30 1.39 -1.04 -1.09 -4.99 114.28 100.36 2hi6 n THR 9 Ca -0.46 -0.31 -0.27 0.00 -2.04 0.00 0.00 64.05 60.97 2hi6 n THR 9 Cb 0.85 -0.57 -0.03 0.00 -1.82 0.00 0.00 70.33 68.76 2hi6 n THR 9 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2hi6 n ARG 10 N -0.83 0.83 0.00 -2.82 1.74 -1.26 -4.39 116.66 109.93 2hi6 n ARG 10 Ca 0.00 -3.23 0.00 0.00 -0.77 0.00 0.00 57.85 53.85 2hi6 n ARG 10 Cb 0.09 0.64 0.00 0.00 -1.02 0.00 0.00 32.46 32.17 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 -0.70 -3.14 3.60 -0.13 0.00 -1.26 -4.46 105.19 99.09 2hi6 n GLY 11 Ca -0.11 -1.92 -0.15 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.68 0.86 0.38 1.61 1.70 -1.26 -0.60 118.95 120.96 2hi6 s ARG 12 Ca 0.00 0.71 -0.14 0.00 -0.47 0.00 0.00 55.73 55.83 2hi6 s ARG 12 Cb 0.00 0.41 0.05 0.00 -0.57 0.00 0.00 34.95 34.84 2hi6 s ARG 12 CO 0.00 -0.17 0.75 0.00 -1.08 0.00 0.00 175.30 174.81 2hi6 s ALA 13 N -0.15 -0.54 0.22 7.88 0.00 0.04 -5.00 121.76 124.21 2hi6 s ALA 13 Ca -0.03 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.15 2hi6 s ALA 13 Cb -0.03 0.73 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 2hi6 s ALA 13 CO 0.03 -0.96 -0.14 -1.83 0.00 0.00 0.00 175.76 172.86 2hi6 s GLU 14 N -2.35 1.39 0.00 0.00 -1.05 -1.26 -0.75 118.70 114.68 2hi6 s GLU 14 Ca 0.17 -1.63 0.00 0.00 -0.15 0.00 0.00 54.97 53.36 2hi6 s GLU 14 Cb -0.05 -1.19 0.00 0.00 -0.44 0.00 0.00 34.13 32.45 2hi6 s GLU 14 CO 0.13 0.18 0.00 0.41 0.95 0.00 0.00 175.26 176.93 2hi6 n GLY 15 N -0.43 0.81 3.75 -3.83 0.00 -0.92 -4.75 105.19 99.82 2hi6 n GLY 15 Ca -0.07 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 2hi6 n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hi6 s GLU 16 N -2.00 4.64 0.14 1.61 2.12 -1.22 -2.41 118.70 121.58 2hi6 s GLU 16 Ca 0.00 1.73 -0.30 0.00 0.36 0.00 0.00 54.97 56.76 2hi6 s GLU 16 Cb 0.00 -3.24 -0.07 0.00 0.26 0.00 0.00 34.13 31.08 2hi6 s GLU 16 CO 0.00 0.17 1.03 0.00 -0.54 0.00 0.00 175.26 175.92 2hi6 s ALA 17 N -0.71 3.30 -0.16 6.30 0.00 0.73 0.15 121.76 131.38 2hi6 s ALA 17 Ca 0.47 0.68 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 2hi6 s ALA 17 Cb -0.30 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.55 2hi6 s ALA 17 CO 0.37 -0.11 -0.04 -1.17 0.00 0.00 0.00 175.76 174.81 2hi6 s LEU 18 N -0.11 1.45 -0.18 0.00 0.20 0.67 0.05 118.68 120.77 2hi6 s LEU 18 Ca 0.48 -0.60 -0.07 0.00 0.69 0.00 0.00 54.13 54.63 2hi6 s LEU 18 Cb -0.26 -0.83 -0.04 0.00 -0.43 0.00 0.00 46.19 44.63 2hi6 s LEU 18 CO 0.32 -0.19 0.07 0.54 -0.29 0.00 0.00 176.35 176.79 2hi6 s VAL 19 N 1.69 4.84 -0.18 1.68 0.11 -1.26 -0.92 120.40 126.36 2hi6 s VAL 19 Ca 0.01 -0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 59.00 2hi6 s VAL 19 Cb -0.15 -3.17 -0.03 0.00 -1.53 0.00 0.00 36.38 31.50 2hi6 s VAL 19 CO -0.07 0.48 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.26 2hi6 s THR 20 N 0.23 3.92 -2.79 5.04 2.01 0.14 -4.86 115.64 119.33 2hi6 s THR 20 Ca 0.04 -0.34 0.24 0.00 0.31 0.00 0.00 61.69 61.94 2hi6 s THR 20 Cb -0.12 -2.74 0.15 0.00 0.01 0.00 0.00 72.50 69.80 2hi6 s THR 20 CO 0.00 0.46 1.23 0.29 -0.69 0.00 0.00 174.62 175.92 2hi6 n LYS 21 N 3.85 2.09 -3.66 4.92 5.02 -1.26 -4.22 118.16 124.89 2hi6 n LYS 21 Ca -0.17 -1.73 -0.23 0.00 -2.02 0.00 0.00 58.31 54.16 2hi6 n LYS 21 Cb 0.52 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 34.05 2hi6 n LYS 21 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2hi6 s GLU 22 N -2.10 3.47 -0.73 1.97 0.41 -1.26 -5.02 118.70 115.45 2hi6 s GLU 22 Ca 0.26 -0.50 -0.10 0.00 -0.41 0.00 0.00 54.97 54.22 2hi6 s GLU 22 Cb 0.20 -2.78 0.19 0.00 -1.78 0.00 0.00 34.13 29.95 2hi6 s GLU 22 CO 0.36 0.30 0.63 0.71 -0.49 0.00 0.00 175.26 176.77 2hi6 s TYR 23 N -2.10 3.61 -0.08 1.61 2.02 -1.26 -4.38 117.35 116.76 2hi6 s TYR 23 Ca 0.37 -2.19 0.11 0.00 -0.37 0.00 0.00 57.07 55.00 2hi6 s TYR 23 Cb -0.10 -3.60 0.17 0.00 -0.40 0.00 0.00 41.96 38.04 2hi6 s TYR 23 CO 0.32 -0.94 1.07 0.44 -1.57 0.00 0.00 175.55 174.87 2hi6 n ILE 24 N 3.93 1.42 -2.95 2.71 -5.35 -1.20 -4.91 119.36 113.01 2hi6 n ILE 24 Ca 0.09 -1.65 0.00 0.00 -0.27 0.00 0.00 62.75 60.92 2hi6 n ILE 24 Cb 0.43 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 2hi6 n ILE 24 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2hi6 n SER 25 N -1.01 -0.80 -0.41 7.28 3.41 -1.19 -4.55 113.62 116.35 2hi6 n SER 25 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2hi6 n SER 25 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2hi6 n SER 25 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2hi6 n PHE 26 N 0.00 0.00 1.00 7.33 7.35 -1.26 -4.84 117.46 127.04 2hi6 n PHE 26 Ca 0.00 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 2hi6 n PHE 26 Cb 0.00 0.01 0.43 0.00 0.35 0.00 0.00 39.48 40.27 2hi6 n PHE 26 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 2hi6 n LEU 27 N 0.00 0.26 0.00 -2.13 -0.00 -1.23 -4.43 117.00 109.48 2hi6 n LEU 27 Ca 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 56.01 56.25 2hi6 n LEU 27 Cb 0.63 -0.37 0.00 0.00 -0.00 0.00 0.00 43.42 43.68 2hi6 n LEU 27 CO 0.00 0.06 0.00 0.61 -0.00 0.00 0.00 177.39 178.06 2hi6 n GLY 28 N 1.50 1.97 0.50 1.47 0.00 -1.26 -4.75 105.19 104.61 2hi6 n GLY 28 Ca 0.06 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.03 -0.16 3.76 -0.02 0.00 -1.26 -4.81 105.19 102.67 2hi6 n GLY 29 Ca 0.00 0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.74 4.90 0.40 -0.61 1.09 -1.26 -0.20 121.20 123.78 2hi6 s ILE 30 Ca 0.00 1.30 -0.23 0.00 -1.10 0.00 0.00 60.65 60.62 2hi6 s ILE 30 Cb 0.00 -3.96 -0.10 0.00 -1.06 0.00 0.00 42.46 37.34 2hi6 s ILE 30 CO 0.00 0.40 0.99 -0.62 -0.10 0.00 0.00 174.94 175.61 2hi6 s ASP 31 N -0.12 6.92 0.17 3.58 2.15 -0.12 -4.94 116.67 124.31 2hi6 s ASP 31 Ca 0.32 1.87 0.26 0.00 0.43 0.00 0.00 52.55 55.42 2hi6 s ASP 31 Cb -0.18 -2.57 0.68 0.00 -0.30 0.00 0.00 42.92 40.55 2hi6 s ASP 31 CO 0.18 -0.38 1.64 2.29 -0.17 0.00 0.00 175.17 178.73 2hi6 n LYS 32 N -0.18 0.25 -0.13 4.34 2.85 -1.26 -2.00 118.16 122.02 2hi6 n LYS 32 Ca 0.05 0.16 -0.26 0.00 -1.05 0.00 0.00 58.31 57.21 2hi6 n LYS 32 Cb 0.51 -1.75 -0.10 0.00 -0.65 0.00 0.00 35.03 33.04 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 -2.17 0.58 -0.03 -1.58 1.02 -1.26 -4.70 120.64 112.50 2hi6 n GLU 33 Ca 0.05 0.23 -0.17 0.00 -0.02 0.00 0.00 57.16 57.24 2hi6 n GLU 33 Cb 0.43 -1.46 -0.14 0.00 -0.02 0.00 0.00 31.44 30.25 2hi6 n GLU 33 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2hi6 n THR 34 N -3.99 1.66 -0.56 2.62 -2.24 -1.26 -4.94 114.28 105.57 2hi6 n THR 34 Ca -0.51 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.58 2hi6 n THR 34 Cb 0.90 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 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 1.93 0.65 3.80 3.38 0.00 -0.85 -4.84 105.19 109.27 2hi6 n GLY 35 Ca -0.32 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.00 4.87 -0.68 -0.61 -1.09 -1.26 -1.33 121.20 119.10 2hi6 s ILE 36 Ca 0.00 1.12 -0.27 0.00 -2.23 0.00 0.00 60.65 59.27 2hi6 s ILE 36 Cb 0.00 -3.86 0.03 0.00 -1.58 0.00 0.00 42.46 37.05 2hi6 s ILE 36 CO 0.00 0.52 1.26 -0.69 -1.23 0.00 0.00 174.94 174.80 2hi6 s VAL 37 N -0.80 3.82 -0.00 2.92 1.01 -1.16 -0.94 120.40 125.25 2hi6 s VAL 37 Ca 0.28 0.59 0.11 0.00 0.00 0.00 0.00 61.98 62.96 2hi6 s VAL 37 Cb -0.18 -4.83 -0.16 0.00 0.00 0.00 0.00 36.38 31.20 2hi6 s VAL 37 CO 0.17 -1.65 1.07 0.11 0.00 0.00 0.00 175.10 174.79 2hi6 h LYS 38 N 9.93 0.00 -3.89 2.72 1.57 -0.95 -3.31 116.57 122.65 2hi6 h LYS 38 Ca -0.27 0.00 -0.78 0.00 -1.87 0.00 0.00 60.65 57.73 2hi6 h LYS 38 Cb 1.05 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.12 2hi6 h LYS 38 CO 1.24 0.68 0.86 -1.91 -0.57 0.00 0.00 179.45 179.75 2hi6 n GLU 39 N -3.18 3.58 -1.25 3.15 4.07 -1.11 -4.91 120.64 120.99 2hi6 n GLU 39 Ca -0.06 -4.23 0.00 0.00 -0.06 0.00 0.00 57.16 52.82 2hi6 n GLU 39 Cb 0.93 -2.72 0.00 0.00 -0.06 0.00 0.00 31.44 29.58 2hi6 n GLU 39 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2hi6 n ASP 40 N 3.57 0.00 0.00 4.31 -0.08 -1.26 -4.88 116.55 118.21 2hi6 n ASP 40 Ca 0.29 -0.78 0.00 0.00 -1.51 0.00 0.00 54.79 52.79 2hi6 n ASP 40 Cb 0.40 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.86 2hi6 n ASP 40 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2hi6 n GLU 42 N -0.16 0.00 0.19 0.00 2.13 -1.26 -4.77 120.64 116.77 2hi6 n GLU 42 Ca 0.00 0.00 0.14 0.00 0.66 0.00 0.00 57.16 57.96 2hi6 n GLU 42 Cb 0.00 -0.27 0.41 0.00 0.27 0.00 0.00 31.44 31.86 2hi6 n GLU 42 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2hi6 h ILE 43 N 0.00 0.00 -1.14 6.31 1.08 -1.94 -3.46 117.51 118.36 2hi6 h ILE 43 Ca 0.00 -0.61 -0.79 0.00 -0.39 0.00 0.00 64.86 63.07 2hi6 h ILE 43 Cb 0.31 1.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.63 2hi6 h ILE 43 CO 0.00 0.00 0.91 1.17 -0.69 0.00 0.00 178.15 179.54 2hi6 n LYS 44 N -2.74 0.60 0.00 2.37 4.81 -1.26 -2.62 118.16 119.32 2hi6 n LYS 44 Ca 0.03 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 2hi6 n LYS 44 Cb 0.40 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.61 2hi6 n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hi6 n GLY 45 N 4.66 1.51 3.92 3.14 0.00 -1.24 -4.98 105.19 112.19 2hi6 n GLY 45 Ca 0.32 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 3.57 -0.06 1.61 2.02 -1.08 -4.91 118.70 119.85 2hi6 s GLU 46 Ca 0.00 -0.14 -0.12 0.00 0.02 0.00 0.00 54.97 54.73 2hi6 s GLU 46 Cb 0.00 -2.67 -0.05 0.00 0.10 0.00 0.00 34.13 31.51 2hi6 s GLU 46 CO 0.00 0.21 0.30 -1.12 0.02 0.00 0.00 175.26 174.67 2hi6 s SER 47 N -3.45 6.62 0.00 -0.19 0.01 -1.26 -2.97 113.70 112.46 2hi6 s SER 47 Ca 0.42 0.74 0.25 0.00 1.31 0.00 0.00 55.95 58.67 2hi6 s SER 47 Cb -0.10 -2.18 0.51 0.00 0.21 0.00 0.00 66.02 64.45 2hi6 s SER 47 CO 0.32 0.32 1.41 1.33 0.41 0.00 0.00 173.24 177.04 2hi6 n VAL 48 N 2.11 0.00 -2.03 3.43 0.24 -0.44 -4.68 118.33 116.95 2hi6 n VAL 48 Ca -0.16 -0.22 -0.26 0.00 -2.04 0.00 0.00 64.34 61.66 2hi6 n VAL 48 Cb 0.53 0.79 -0.05 0.00 -1.47 0.00 0.00 33.84 33.64 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 -2.37 1.63 0.00 2.33 0.00 -1.23 -1.17 121.76 120.96 2hi6 s ALA 49 Ca 0.25 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.69 2hi6 s ALA 49 Cb 0.19 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.75 2hi6 s ALA 49 CO 0.49 -4.88 0.00 0.41 0.00 0.00 0.00 175.76 171.78 2hi6 n GLY 50 N 6.80 0.96 3.81 0.00 0.00 -1.24 -5.01 105.19 110.51 2hi6 n GLY 50 Ca 0.41 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.37 2.92 -0.31 1.61 1.81 -0.31 -3.38 118.95 120.92 2hi6 s ARG 51 Ca 0.00 -0.91 -0.14 0.00 -1.72 0.00 0.00 55.73 52.95 2hi6 s ARG 51 Cb 0.00 -2.63 -0.03 0.00 -0.45 0.00 0.00 34.95 31.84 2hi6 s ARG 51 CO 0.00 0.46 0.33 0.42 -0.68 0.00 0.00 175.30 175.83 2hi6 s ILE 52 N -1.85 5.20 -0.21 1.52 1.01 0.12 -1.10 121.20 125.90 2hi6 s ILE 52 Ca 0.31 0.23 -0.17 0.00 0.00 0.00 0.00 60.65 61.03 2hi6 s ILE 52 Cb -0.09 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 2hi6 s ILE 52 CO 0.24 0.05 0.44 -0.22 0.00 0.00 0.00 174.94 175.45 2hi6 s LEU 53 N 1.98 4.14 -0.26 2.97 2.96 0.36 -0.24 118.68 130.59 2hi6 s LEU 53 Ca 0.12 0.55 0.02 0.00 -0.22 0.00 0.00 54.13 54.60 2hi6 s LEU 53 Cb -0.16 -2.57 0.07 0.00 0.50 0.00 0.00 46.19 44.03 2hi6 s LEU 53 CO 0.11 -0.12 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.29 2hi6 s VAL 54 N 1.47 1.76 0.02 1.68 1.01 -0.10 -1.10 120.40 125.14 2hi6 s VAL 54 Ca 0.20 -1.53 0.02 0.00 0.00 0.00 0.00 61.98 60.68 2hi6 s VAL 54 Cb -0.15 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2hi6 s VAL 54 CO 0.09 -0.21 -0.07 0.72 0.00 0.00 0.00 175.10 175.62 2hi6 s PHE 55 N 1.26 0.59 0.35 5.22 -0.71 -1.24 -0.69 117.98 122.76 2hi6 s PHE 55 Ca -0.03 -0.34 0.13 0.00 -1.04 0.00 0.00 56.93 55.66 2hi6 s PHE 55 Cb -0.19 -0.36 0.72 0.00 -1.21 0.00 0.00 43.02 41.98 2hi6 s PHE 55 CO -0.08 -0.05 1.82 -1.35 -1.34 0.00 0.00 175.22 174.21 2hi6 h PRO 56 N 5.09 0.00 0.00 1.99 0.11 -1.85 -3.39 132.00 133.95 2hi6 h PRO 56 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2hi6 h PRO 56 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2hi6 h PRO 56 CO 0.44 0.38 0.00 0.41 -0.21 0.00 0.00 178.00 179.02 2hi6 n GLY 57 N -0.38 1.82 4.71 -0.55 0.00 -1.26 -4.27 105.19 105.26 2hi6 n GLY 57 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 1.91 3.59 -0.02 0.00 -1.26 -3.15 105.19 106.26 2hi6 n GLY 58 Ca 0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 3.89 -0.07 1.61 1.02 -1.26 -4.98 119.74 119.94 2hi6 s LYS 59 Ca 0.00 -0.39 -0.04 0.00 0.02 0.00 0.00 55.97 55.57 2hi6 s LYS 59 Cb 0.00 -3.20 -0.27 0.00 -0.52 0.00 0.00 37.83 33.84 2hi6 s LYS 59 CO 0.00 0.19 0.56 0.78 -0.92 0.00 0.00 175.35 175.96 2hi6 h GLY 60 N 6.96 0.28 -1.85 -3.33 0.00 -1.95 -3.35 103.07 99.84 2hi6 h GLY 60 Ca -0.36 -0.73 0.23 0.00 0.00 0.00 0.00 47.33 46.47 2hi6 h GLY 60 CO 0.67 0.64 -0.30 1.44 0.00 0.00 0.00 176.54 178.99 2hi6 n SER 61 N -3.43 -6.34 -0.06 0.19 7.64 -1.26 -4.54 113.62 105.81 2hi6 n SER 61 Ca -0.26 0.89 0.02 0.00 1.01 0.00 0.00 58.87 60.53 2hi6 n SER 61 Cb 1.05 -2.51 0.03 0.00 -1.01 0.00 0.00 64.21 61.78 2hi6 n SER 61 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2hi6 n THR 62 N -3.04 1.12 -4.58 0.44 -2.24 -1.26 -4.97 114.28 99.75 2hi6 n THR 62 Ca 0.01 -1.16 -0.22 0.00 -2.27 0.00 0.00 64.05 60.40 2hi6 n THR 62 Cb 0.38 0.40 -0.15 0.00 -2.10 0.00 0.00 70.33 68.86 2hi6 n THR 62 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2hi6 s VAL 63 N -1.25 1.03 0.00 2.28 1.01 -1.26 -4.86 120.40 117.35 2hi6 s VAL 63 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2hi6 s VAL 63 Cb 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2hi6 s VAL 63 CO 0.02 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.02 2hi6 n GLY 64 N 2.92 0.22 3.78 4.51 0.00 -1.26 -3.50 105.19 111.85 2hi6 n GLY 64 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 2hi6 n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hi6 s SER 65 N 0.00 5.75 0.00 1.61 1.04 -1.23 -3.90 113.70 116.97 2hi6 s SER 65 Ca 0.00 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.49 2hi6 s SER 65 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2hi6 s SER 65 CO 0.00 -1.19 0.00 -1.22 0.98 0.00 0.00 173.24 171.81 2hi6 n TYR 66 N -1.50 0.00 0.28 5.02 4.02 -1.26 -4.69 117.16 119.03 2hi6 n TYR 66 Ca 0.11 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.14 2hi6 n TYR 66 Cb 0.52 0.00 0.83 0.00 -0.02 0.00 0.00 39.34 40.66 2hi6 n TYR 66 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 2hi6 h VAL 67 N 0.00 0.51 -0.09 -0.72 -1.51 -1.90 -0.66 116.25 111.88 2hi6 h VAL 67 Ca 0.00 -0.30 -0.11 0.00 -1.23 0.00 0.00 66.70 65.07 2hi6 h VAL 67 Cb 0.00 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.34 2hi6 h VAL 67 CO 0.00 0.06 -0.42 -0.07 -1.23 0.00 0.00 177.57 175.92 2hi6 h LEU 68 N 0.00 0.22 -0.72 4.19 4.07 -1.80 -2.11 115.31 119.16 2hi6 h LEU 68 Ca -0.00 -0.09 -0.10 0.00 0.08 0.00 0.00 57.88 57.77 2hi6 h LEU 68 Cb 0.19 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 2hi6 h LEU 68 CO 0.01 0.62 -0.07 0.25 -1.08 0.00 0.00 178.44 178.17 2hi6 h LEU 69 N 0.18 0.90 -0.11 1.67 5.85 -1.27 0.14 115.31 122.67 2hi6 h LEU 69 Ca 0.02 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 2hi6 h LEU 69 Cb 0.82 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2hi6 h LEU 69 CO 0.06 1.00 0.06 -1.13 -0.34 0.00 0.00 178.44 178.10 2hi6 h ASN 70 N 0.83 0.13 -0.81 1.25 -0.00 -1.40 0.24 115.58 115.82 2hi6 h ASN 70 Ca 0.14 -0.06 -0.00 0.00 -0.00 0.00 0.00 56.30 56.38 2hi6 h ASN 70 Cb 0.59 -0.03 -0.04 0.00 -0.00 0.00 0.00 38.32 38.84 2hi6 h ASN 70 CO 0.04 0.16 0.50 -0.07 -0.00 0.00 0.00 177.43 178.06 2hi6 h LEU 71 N 0.10 0.96 -0.49 0.34 3.38 -1.10 -2.76 115.31 115.74 2hi6 h LEU 71 Ca 0.04 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 2hi6 h LEU 71 Cb 0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2hi6 h LEU 71 CO -0.01 0.73 -0.62 -0.09 0.09 0.00 0.00 178.44 178.54 2hi6 h ARG 72 N 1.11 0.48 -0.85 1.13 1.12 -0.46 -0.59 114.38 116.31 2hi6 h ARG 72 Ca 0.29 -0.34 0.01 0.00 -1.11 0.00 0.00 59.98 58.84 2hi6 h ARG 72 Cb -0.07 0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 29.90 2hi6 h ARG 72 CO -0.06 0.95 0.56 -0.22 -3.11 0.00 0.00 179.97 178.10 2hi6 h LYS 73 N 0.36 1.10 0.00 0.20 3.11 -0.27 -2.28 116.57 118.79 2hi6 h LYS 73 Ca -0.01 -0.07 -0.22 0.00 -2.81 0.00 0.00 60.65 57.54 2hi6 h LYS 73 Cb 1.17 -0.25 -0.03 0.00 -1.00 0.00 0.00 32.23 32.12 2hi6 h LYS 73 CO 0.11 0.73 -1.15 -0.97 -2.81 0.00 0.00 179.45 175.36 2hi6 h ASN 74 N 1.14 0.00 0.00 4.20 -1.24 -1.33 -3.48 115.58 114.87 2hi6 h ASN 74 Ca 0.32 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.33 2hi6 h ASN 74 Cb -0.10 0.00 0.00 0.00 0.73 0.00 0.00 38.32 38.95 2hi6 h ASN 74 CO -0.07 0.97 0.00 0.61 -1.29 0.00 0.00 177.43 177.64 2hi6 n GLY 75 N 1.39 1.19 0.73 1.57 0.00 -0.36 -4.98 105.19 104.73 2hi6 n GLY 75 Ca -0.04 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.84 0.49 -2.65 1.61 0.24 -0.42 -4.80 118.33 110.97 2hi6 n VAL 76 Ca 0.00 -0.75 -0.31 0.00 -2.04 0.00 0.00 64.34 61.24 2hi6 n VAL 76 Cb 0.00 0.91 -0.03 0.00 -1.47 0.00 0.00 33.84 33.26 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 -1.13 3.22 0.54 2.33 0.00 -1.11 -3.50 121.76 122.11 2hi6 s ALA 77 Ca 0.24 -0.02 -0.21 0.00 0.00 0.00 0.00 51.96 51.97 2hi6 s ALA 77 Cb 0.14 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.32 2hi6 s ALA 77 CO 0.20 -0.11 1.28 -1.25 0.00 0.00 0.00 175.76 175.88 2hi6 s PRO 78 N -3.94 3.21 0.33 0.00 0.04 -1.18 -3.69 135.00 129.76 2hi6 s PRO 78 Ca 0.55 2.04 0.16 0.00 0.04 0.00 0.00 61.00 63.78 2hi6 s PRO 78 Cb -0.10 -2.20 0.49 0.00 0.04 0.00 0.00 34.50 32.73 2hi6 s PRO 78 CO 0.31 -1.07 1.65 0.87 0.04 0.00 0.00 177.00 178.80 2hi6 h LYS 79 N 1.42 0.00 -2.91 4.56 1.57 -1.30 -3.46 116.57 116.46 2hi6 h LYS 79 Ca -0.50 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.23 2hi6 h LYS 79 Cb 1.29 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.46 2hi6 h LYS 79 CO 0.57 0.48 0.11 0.00 -0.57 0.00 0.00 179.45 180.04 2hi6 s ALA 80 N -3.51 -1.42 -0.04 3.86 0.00 -1.25 -4.52 121.76 114.89 2hi6 s ALA 80 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.47 2hi6 s ALA 80 Cb 0.11 0.62 0.03 0.00 0.00 0.00 0.00 23.12 23.88 2hi6 s ALA 80 CO 0.72 -0.63 -0.01 0.42 0.00 0.00 0.00 175.76 176.26 2hi6 s ILE 81 N -3.13 0.29 -0.18 0.00 1.01 -1.20 -0.49 121.20 117.51 2hi6 s ILE 81 Ca -0.02 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.70 2hi6 s ILE 81 Cb -0.00 -0.39 0.03 0.00 0.01 0.00 0.00 42.46 42.10 2hi6 s ILE 81 CO -0.07 0.19 -0.16 -0.63 0.00 0.00 0.00 174.94 174.26 2hi6 s ILE 82 N 1.23 1.90 0.42 2.92 -1.09 -0.26 -3.35 121.20 122.98 2hi6 s ILE 82 Ca -0.07 -0.95 0.04 0.00 -2.23 0.00 0.00 60.65 57.45 2hi6 s ILE 82 Cb -0.13 -1.79 -0.02 0.00 -1.58 0.00 0.00 42.46 38.94 2hi6 s ILE 82 CO -0.02 0.41 0.15 0.59 -1.23 0.00 0.00 174.94 174.84 2hi6 n ASN 83 N 4.65 1.27 -0.06 3.58 4.13 -0.83 -3.73 115.26 124.27 2hi6 n ASN 83 Ca -0.18 -3.25 -0.08 0.00 1.68 0.00 0.00 54.58 52.75 2hi6 n ASN 83 Cb 0.49 1.06 -0.07 0.00 -1.54 0.00 0.00 39.78 39.72 2hi6 n ASN 83 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2hi6 n LYS 84 N -0.96 0.75 -3.61 3.52 0.00 -1.26 -0.02 118.16 116.59 2hi6 n LYS 84 Ca -0.06 0.06 -0.39 0.00 0.00 0.00 0.00 58.31 57.91 2hi6 n LYS 84 Cb 0.63 -1.26 -0.11 0.00 0.00 0.00 0.00 35.03 34.29 2hi6 n LYS 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2hi6 s LYS 85 N -2.26 3.32 -0.00 1.64 2.36 -1.26 -4.77 119.74 118.76 2hi6 s LYS 85 Ca -0.15 -0.74 0.08 0.00 -2.55 0.00 0.00 55.97 52.61 2hi6 s LYS 85 Cb 0.04 -3.66 -0.02 0.00 -1.05 0.00 0.00 37.83 33.14 2hi6 s LYS 85 CO 0.33 -0.46 -0.25 -0.08 1.55 0.00 0.00 175.35 176.43 2hi6 s THR 86 N 1.64 2.01 0.25 3.43 -1.32 -1.26 -4.93 115.64 115.46 2hi6 s THR 86 Ca 0.05 -1.16 0.08 0.00 -1.21 0.00 0.00 61.69 59.45 2hi6 s THR 86 Cb -0.17 -1.68 -0.04 0.00 -1.51 0.00 0.00 72.50 69.10 2hi6 s THR 86 CO 0.08 0.50 0.11 -1.61 -2.21 0.00 0.00 174.62 171.48 2hi6 s GLU 87 N -0.77 2.65 0.16 7.08 0.41 -1.26 -5.03 118.70 121.94 2hi6 s GLU 87 Ca 0.10 -1.20 -0.15 0.00 -0.41 0.00 0.00 54.97 53.31 2hi6 s GLU 87 Cb -0.10 -2.39 0.04 0.00 -1.78 0.00 0.00 34.13 29.90 2hi6 s GLU 87 CO -0.00 0.39 1.83 1.15 -0.49 0.00 0.00 175.26 178.14 2hi6 h THR 88 N 1.70 1.12 -0.08 3.63 2.02 -1.97 -1.40 112.91 117.94 2hi6 h THR 88 Ca -0.47 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 66.44 2hi6 h THR 88 Cb 1.24 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2hi6 h THR 88 CO 0.61 0.12 -0.20 0.16 0.37 0.00 0.00 175.52 176.57 2hi6 h ILE 89 N 0.64 1.18 -0.20 3.11 -0.00 -1.93 -1.56 117.51 118.75 2hi6 h ILE 89 Ca 0.17 -0.85 -0.06 0.00 -0.00 0.00 0.00 64.86 64.13 2hi6 h ILE 89 Cb -0.07 1.35 -0.01 0.00 -0.00 0.00 0.00 36.82 38.09 2hi6 h ILE 89 CO -0.04 0.25 -0.10 0.40 -0.00 0.00 0.00 178.15 178.67 2hi6 h ILE 90 N 0.12 1.31 -0.19 0.16 2.04 -1.71 -1.73 117.51 117.49 2hi6 h ILE 90 Ca 0.02 -1.16 0.01 0.00 1.00 0.00 0.00 64.86 64.73 2hi6 h ILE 90 Cb 0.42 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 2hi6 h ILE 90 CO 0.03 0.35 0.11 0.00 0.00 0.00 0.00 178.15 178.64 2hi6 h ALA 91 N 0.70 0.24 -0.45 1.87 0.00 -0.85 -0.90 119.26 119.86 2hi6 h ALA 91 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2hi6 h ALA 91 Cb 0.59 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2hi6 h ALA 91 CO 0.03 -0.30 0.30 0.28 0.00 0.00 0.00 179.25 179.56 2hi6 h VAL 92 N 0.23 1.12 -0.61 0.00 2.07 -1.31 0.27 116.25 118.03 2hi6 h VAL 92 Ca 0.07 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2hi6 h VAL 92 Cb -0.00 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 2hi6 h VAL 92 CO -0.04 0.11 0.33 1.23 0.02 0.00 0.00 177.57 179.23 2hi6 h GLY 93 N 0.61 0.91 1.43 2.17 0.00 -0.98 -2.78 103.07 104.42 2hi6 h GLY 93 Ca 0.17 -0.42 -0.22 0.00 0.00 0.00 0.00 47.33 46.86 2hi6 h GLY 93 CO -0.04 0.40 -0.88 0.00 0.00 0.00 0.00 176.54 176.02 2hi6 h ALA 94 N 1.15 0.36 -0.87 3.60 0.00 -0.98 -3.15 119.26 119.38 2hi6 h ALA 94 Ca 0.21 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2hi6 h ALA 94 Cb 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2hi6 h ALA 94 CO -0.03 0.75 0.55 0.00 0.00 0.00 0.00 179.25 180.52 2hi6 h ALA 95 N 0.69 1.33 -0.03 0.00 0.00 -0.82 0.18 119.26 120.60 2hi6 h ALA 95 Ca -0.07 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2hi6 h ALA 95 Cb 1.51 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2hi6 h ALA 95 CO 0.16 0.60 -0.56 0.52 0.00 0.00 0.00 179.25 179.97 2hi6 h MET 96 N 1.19 0.09 -0.01 0.00 2.86 -1.53 -2.75 114.93 114.78 2hi6 h MET 96 Ca 0.31 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 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 0.63 -0.14 0.00 1.06 0.00 0.00 176.91 178.40 2hi6 n ALA 97 N -2.45 2.84 -3.39 6.32 0.00 -0.75 -4.94 120.51 118.16 2hi6 n ALA 97 Ca -0.02 -0.41 -0.19 0.00 0.00 0.00 0.00 53.44 52.83 2hi6 n ALA 97 Cb 0.57 -1.17 0.07 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.34 -6.57 -3.56 0.00 4.07 -0.03 -4.97 120.64 109.24 2hi6 n GLU 98 Ca 0.15 0.74 -0.40 0.00 -0.06 0.00 0.00 57.16 57.59 2hi6 n GLU 98 Cb 0.34 -5.48 -0.06 0.00 -0.06 0.00 0.00 31.44 26.18 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 -3.30 4.54 -0.03 6.31 1.01 0.41 -5.01 121.20 125.14 2hi6 s ILE 99 Ca 0.31 -2.93 -0.30 0.00 0.00 0.00 0.00 60.65 57.74 2hi6 s ILE 99 Cb -0.14 -3.87 -0.07 0.00 0.01 0.00 0.00 42.46 38.39 2hi6 s ILE 99 CO 0.64 -0.97 1.92 -2.84 0.00 0.00 0.00 174.94 173.69 2hi6 s PRO 100 N -0.21 3.98 0.08 2.79 0.02 -1.26 -4.52 135.00 135.88 2hi6 s PRO 100 Ca 0.19 2.38 0.09 0.00 0.02 0.00 0.00 61.00 63.69 2hi6 s PRO 100 Cb -0.15 -4.15 -0.03 0.00 0.02 0.00 0.00 34.50 30.19 2hi6 s PRO 100 CO -0.06 -1.13 -0.24 -0.48 -0.33 0.00 0.00 177.00 174.76 2hi6 s LEU 101 N 4.99 2.35 0.08 -5.54 2.34 -1.25 -3.24 118.68 118.41 2hi6 s LEU 101 Ca 0.86 -0.62 0.01 0.00 0.06 0.00 0.00 54.13 54.45 2hi6 s LEU 101 Cb -0.38 -1.33 -0.04 0.00 -0.56 0.00 0.00 46.19 43.88 2hi6 s LEU 101 CO 0.38 0.22 -0.06 0.68 -1.06 0.00 0.00 176.35 176.51 2hi6 s VAL 102 N -0.95 0.54 -0.27 1.48 -7.23 -1.21 -2.54 120.40 110.21 2hi6 s VAL 102 Ca 0.14 -1.76 -0.16 0.00 -1.81 0.00 0.00 61.98 58.39 2hi6 s VAL 102 Cb -0.10 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 2hi6 s VAL 102 CO 0.05 -0.83 0.41 -0.70 -0.31 0.00 0.00 175.10 173.72 2hi6 s GLU 103 N -3.47 4.01 0.37 4.82 2.12 0.57 -1.96 118.70 125.16 2hi6 s GLU 103 Ca 0.07 0.10 -0.25 0.00 0.36 0.00 0.00 54.97 55.24 2hi6 s GLU 103 Cb 0.03 -3.66 -0.09 0.00 0.26 0.00 0.00 34.13 30.67 2hi6 s GLU 103 CO -0.05 -0.31 1.08 0.14 -0.54 0.00 0.00 175.26 175.58 2hi6 s VAL 104 N 2.13 3.57 -0.18 3.70 -7.23 0.98 -0.50 120.40 122.88 2hi6 s VAL 104 Ca 0.16 1.30 0.16 0.00 -1.81 0.00 0.00 61.98 61.79 2hi6 s VAL 104 Cb -0.16 -3.72 0.39 0.00 0.56 0.00 0.00 36.38 33.45 2hi6 s VAL 104 CO 0.10 0.10 1.25 0.54 -0.31 0.00 0.00 175.10 176.79 2hi6 n ARG 105 N 0.24 1.71 -3.73 4.82 1.74 -1.26 -4.68 116.66 115.50 2hi6 n ARG 105 Ca 0.03 -2.87 -0.14 0.00 -0.77 0.00 0.00 57.85 54.11 2hi6 n ARG 105 Cb 0.48 -1.63 -0.14 0.00 -1.02 0.00 0.00 32.46 30.15 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 -2.75 0.02 0.25 0.55 -1.08 -1.26 -5.03 116.67 107.36 2hi6 s ASP 106 Ca 0.37 0.37 -0.02 0.00 -0.52 0.00 0.00 52.55 52.75 2hi6 s ASP 106 Cb 0.33 0.28 0.29 0.00 -1.46 0.00 0.00 42.92 42.36 2hi6 s ASP 106 CO 0.01 -0.17 1.70 -0.08 0.52 0.00 0.00 175.17 177.15 2hi6 h GLU 107 N 7.48 0.73 0.00 4.34 4.81 -2.03 -2.96 114.58 126.94 2hi6 h GLU 107 Ca -0.36 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 2hi6 h GLU 107 Cb 1.14 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2hi6 h GLU 107 CO 0.35 0.83 0.00 0.87 -0.73 0.00 0.00 179.01 180.33 2hi6 h LYS 108 N 0.66 0.00 -1.00 1.92 1.57 -2.00 -1.58 116.57 116.14 2hi6 h LYS 108 Ca 0.11 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2hi6 h LYS 108 Cb 0.60 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.85 2hi6 h LYS 108 CO 0.04 0.00 0.66 0.35 -0.57 0.00 0.00 179.45 179.93 2hi6 h PHE 109 N 0.00 1.23 0.00 -1.35 3.57 -1.95 -0.15 116.94 118.29 2hi6 h PHE 109 Ca 0.00 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 2hi6 h PHE 109 Cb 0.36 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2hi6 h PHE 109 CO 0.00 0.73 -0.35 0.74 -2.23 0.00 0.00 178.31 177.20 2hi6 h PHE 110 N 1.29 0.00 -0.05 0.41 0.04 -1.45 -0.11 116.94 117.07 2hi6 h PHE 110 Ca 0.39 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.91 2hi6 h PHE 110 Cb -0.03 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.13 2hi6 h PHE 110 CO -0.00 0.35 -0.95 1.49 -0.60 0.00 0.00 178.31 178.60 2hi6 h GLU 111 N 0.00 0.73 -0.08 1.51 4.81 -1.39 -3.34 114.58 116.81 2hi6 h GLU 111 Ca -0.00 -0.72 -0.07 0.00 -0.13 0.00 0.00 59.36 58.44 2hi6 h GLU 111 Cb 0.65 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.22 2hi6 h GLU 111 CO 0.05 1.30 -0.22 0.00 -0.73 0.00 0.00 179.01 179.41 2hi6 h ALA 112 N 0.45 0.14 -2.83 2.92 0.00 -0.63 -3.45 119.26 115.85 2hi6 h ALA 112 Ca -0.10 -0.39 -0.53 0.00 0.00 0.00 0.00 54.91 53.90 2hi6 h ALA 112 Cb 1.60 -0.02 0.06 0.00 0.00 0.00 0.00 17.79 19.43 2hi6 h ALA 112 CO 0.19 0.10 0.69 0.54 0.00 0.00 0.00 179.25 180.78 2hi6 s VAL 113 N -3.87 2.67 0.04 0.00 0.11 -0.09 -5.02 120.40 114.23 2hi6 s VAL 113 Ca -0.15 0.62 0.01 0.00 -2.93 0.00 0.00 61.98 59.54 2hi6 s VAL 113 Cb 0.04 -3.40 -0.02 0.00 -1.53 0.00 0.00 36.38 31.46 2hi6 s VAL 113 CO 0.75 0.13 -0.05 -0.54 -3.33 0.00 0.00 175.10 172.06 2hi6 s LYS 114 N -1.25 0.45 -0.14 1.54 1.02 -1.26 -4.92 119.74 115.17 2hi6 s LYS 114 Ca 0.53 -0.75 -0.29 0.00 0.02 0.00 0.00 55.97 55.48 2hi6 s LYS 114 Cb -0.41 -0.07 -0.03 0.00 -0.52 0.00 0.00 37.83 36.79 2hi6 s LYS 114 CO 0.50 -0.01 1.53 0.99 -0.92 0.00 0.00 175.35 177.44 2hi6 s THR 115 N -1.67 3.81 0.00 2.17 2.01 -1.26 -3.16 115.64 117.54 2hi6 s THR 115 Ca -0.11 0.96 0.00 0.00 0.31 0.00 0.00 61.69 62.86 2hi6 s THR 115 Cb -0.08 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.74 2hi6 s THR 115 CO -0.01 -0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.37 2hi6 n GLY 116 N 4.15 1.64 3.98 4.40 0.00 0.11 -4.97 105.19 114.50 2hi6 n GLY 116 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.93 3.73 -0.23 1.61 1.01 -1.19 -4.74 116.67 114.94 2hi6 s ASP 117 Ca 0.00 -0.24 -0.05 0.00 0.71 0.00 0.00 52.55 52.97 2hi6 s ASP 117 Cb 0.00 0.06 -0.02 0.00 1.01 0.00 0.00 42.92 43.97 2hi6 s ASP 117 CO 0.00 -2.29 0.01 -0.60 0.21 0.00 0.00 175.17 172.49 2hi6 s ARG 118 N -5.46 3.52 -0.04 8.23 3.52 -1.26 -0.19 118.95 127.28 2hi6 s ARG 118 Ca 0.71 -0.55 0.06 0.00 -0.13 0.00 0.00 55.73 55.81 2hi6 s ARG 118 Cb -0.04 -3.14 -0.01 0.00 -1.56 0.00 0.00 34.95 30.20 2hi6 s ARG 118 CO 0.48 -0.16 -0.22 0.08 -0.81 0.00 0.00 175.30 174.68 2hi6 s VAL 119 N 1.45 1.74 -0.09 7.11 1.01 -1.01 -3.25 120.40 127.35 2hi6 s VAL 119 Ca 0.05 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.14 2hi6 s VAL 119 Cb -0.15 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 2hi6 s VAL 119 CO 0.00 0.49 -0.14 0.68 0.00 0.00 0.00 175.10 176.13 2hi6 s VAL 120 N -0.27 3.00 -0.10 2.92 -7.23 -1.10 -2.17 120.40 115.45 2hi6 s VAL 120 Ca 0.02 -0.71 0.01 0.00 -1.81 0.00 0.00 61.98 59.48 2hi6 s VAL 120 Cb -0.11 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.60 2hi6 s VAL 120 CO 0.01 0.56 -0.11 0.54 -0.31 0.00 0.00 175.10 175.78 2hi6 s VAL 121 N -0.14 3.25 -0.38 1.32 0.11 0.07 -2.22 120.40 122.41 2hi6 s VAL 121 Ca -0.01 -0.61 0.01 0.00 -2.93 0.00 0.00 61.98 58.44 2hi6 s VAL 121 Cb -0.14 -2.34 0.12 0.00 -1.53 0.00 0.00 36.38 32.49 2hi6 s VAL 121 CO 0.03 0.55 0.16 0.21 -3.33 0.00 0.00 175.10 172.73 2hi6 s ASN 122 N -0.09 3.93 0.16 3.54 3.84 -0.00 -0.78 114.94 125.54 2hi6 s ASN 122 Ca -0.01 -2.21 0.24 0.00 0.21 0.00 0.00 52.86 51.09 2hi6 s ASN 122 Cb -0.14 -1.05 0.32 0.00 -0.55 0.00 0.00 41.25 39.84 2hi6 s ASN 122 CO 0.03 -0.34 1.33 0.00 -2.79 0.00 0.00 177.10 175.34 2hi6 h ALA 123 N 7.34 0.63 -0.32 1.71 0.00 -1.09 0.19 119.26 127.72 2hi6 h ALA 123 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2hi6 h ALA 123 Cb 0.97 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2hi6 h ALA 123 CO 0.49 0.00 -0.40 0.22 0.00 0.00 0.00 179.25 179.55 2hi6 h ASP 124 N 0.00 0.91 0.00 0.00 3.58 -1.27 -3.31 116.42 116.33 2hi6 h ASP 124 Ca 0.00 -0.49 -0.19 0.00 0.42 0.00 0.00 57.03 56.77 2hi6 h ASP 124 Cb 0.81 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.56 2hi6 h ASP 124 CO 0.00 1.22 -2.18 -0.62 -2.88 0.00 0.00 179.24 174.78 2hi6 n GLU 125 N -4.12 0.71 -0.72 0.28 1.02 -1.25 -4.91 120.64 111.65 2hi6 n GLU 125 Ca -0.03 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 2hi6 n GLU 125 Cb 0.55 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 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 1.55 0.36 3.50 0.62 0.00 0.18 -5.04 105.19 106.36 2hi6 n GLY 126 Ca -0.19 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 2hi6 n GLY 126 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hi6 s TYR 127 N -2.48 -0.63 -0.05 1.61 2.02 0.42 -3.86 117.35 114.38 2hi6 s TYR 127 Ca 0.00 1.23 -0.00 0.00 -0.37 0.00 0.00 57.07 57.93 2hi6 s TYR 127 Cb 0.00 0.33 0.03 0.00 -0.40 0.00 0.00 41.96 41.91 2hi6 s TYR 127 CO 0.00 -0.51 -0.01 0.14 -1.57 0.00 0.00 175.55 173.61 2hi6 s VAL 128 N -0.73 0.31 -0.31 0.71 -7.23 0.14 -0.82 120.40 112.46 2hi6 s VAL 128 Ca -0.08 0.08 -0.06 0.00 -1.81 0.00 0.00 61.98 60.10 2hi6 s VAL 128 Cb -0.02 -0.42 0.02 0.00 0.56 0.00 0.00 36.38 36.52 2hi6 s VAL 128 CO 0.07 0.21 0.09 -0.70 -0.31 0.00 0.00 175.10 174.45 2hi6 s GLU 129 N 1.42 2.87 -0.23 4.82 2.12 -0.94 -1.00 118.70 127.75 2hi6 s GLU 129 Ca -0.04 -1.01 -0.07 0.00 0.36 0.00 0.00 54.97 54.21 2hi6 s GLU 129 Cb -0.13 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 2hi6 s GLU 129 CO -0.03 -0.54 0.06 -1.17 -0.54 0.00 0.00 175.26 173.04 2hi6 s LEU 130 N 1.45 3.50 -0.20 2.70 2.96 0.20 -2.71 118.68 126.58 2hi6 s LEU 130 Ca 0.01 -0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 53.75 2hi6 s LEU 130 Cb -0.18 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.59 2hi6 s LEU 130 CO 0.02 0.02 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.33 2hi6 s ILE 131 N 1.29 2.83 -2.00 6.68 1.01 -1.20 -0.96 121.20 128.85 2hi6 s ILE 131 Ca 0.05 -0.68 0.27 0.00 0.00 0.00 0.00 60.65 60.28 2hi6 s ILE 131 Cb -0.15 -2.25 0.76 0.00 0.01 0.00 0.00 42.46 40.83 2hi6 s ILE 131 CO 0.03 0.47 1.94 -0.62 0.00 0.00 0.00 174.94 176.77