#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 3.60 0.00 5.55 1.02 -1.26 -3.63 119.74 125.02 2hi6 s LYS 2 Ca 0.00 -0.52 -0.19 0.00 0.02 0.00 0.00 55.97 55.28 2hi6 s LYS 2 Cb 0.00 -3.14 -0.06 0.00 -0.52 0.00 0.00 37.83 34.11 2hi6 s LYS 2 CO 0.00 -0.07 0.56 -0.06 -0.92 0.00 0.00 175.35 174.86 2hi6 s PHE 3 N 1.24 3.70 -0.35 3.18 0.08 -0.96 -4.90 117.98 119.98 2hi6 s PHE 3 Ca 0.04 1.17 -0.16 0.00 0.12 0.00 0.00 56.93 58.09 2hi6 s PHE 3 Cb -0.15 -2.55 -0.01 0.00 -0.57 0.00 0.00 43.02 39.75 2hi6 s PHE 3 CO 0.02 0.42 0.43 0.00 -0.10 0.00 0.00 175.22 175.98 2hi6 s ALA 4 N -0.42 3.49 0.32 5.36 0.00 -1.26 -1.94 121.76 127.31 2hi6 s ALA 4 Ca 0.29 -1.13 0.10 0.00 0.00 0.00 0.00 51.96 51.22 2hi6 s ALA 4 Cb -0.18 -2.91 -0.06 0.00 0.00 0.00 0.00 23.12 19.97 2hi6 s ALA 4 CO 0.17 -1.15 -0.13 0.00 0.00 0.00 0.00 175.76 174.64 2hi6 s ARG 6 N -3.58 4.17 -0.07 0.00 3.52 -0.88 -4.43 118.95 117.68 2hi6 s ARG 6 Ca 0.31 0.25 -0.12 0.00 -0.13 0.00 0.00 55.73 56.04 2hi6 s ARG 6 Cb -0.00 -3.55 -0.05 0.00 -1.56 0.00 0.00 34.95 29.79 2hi6 s ARG 6 CO 0.16 -0.07 0.31 0.00 -0.81 0.00 0.00 175.30 174.88 2hi6 s ALA 7 N 1.41 3.73 -0.23 6.12 0.00 -1.26 -0.48 121.76 131.05 2hi6 s ALA 7 Ca 0.20 -0.38 -0.10 0.00 0.00 0.00 0.00 51.96 51.68 2hi6 s ALA 7 Cb -0.15 -2.27 -0.11 0.00 0.00 0.00 0.00 23.12 20.59 2hi6 s ALA 7 CO 0.08 0.44 -0.29 -0.89 0.00 0.00 0.00 175.76 175.11 2hi6 n ILE 8 N 2.23 1.28 -3.22 0.00 -0.00 -1.14 -5.01 119.36 113.51 2hi6 n ILE 8 Ca -0.15 -0.35 -0.18 0.00 -0.00 0.00 0.00 62.75 62.07 2hi6 n ILE 8 Cb 0.53 -1.74 -0.00 0.00 -0.00 0.00 0.00 39.64 38.43 2hi6 n ILE 8 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 2hi6 s THR 9 N -2.43 2.98 0.23 1.39 -4.23 -1.24 -5.04 115.64 107.30 2hi6 s THR 9 Ca -0.32 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.09 2hi6 s THR 9 Cb 0.12 -3.03 -0.00 0.00 1.34 0.00 0.00 72.50 70.93 2hi6 s THR 9 CO 0.43 -0.01 0.04 0.54 -0.54 0.00 0.00 174.62 175.07 2hi6 n ARG 10 N -1.74 1.07 0.00 3.99 1.74 -1.26 -4.42 116.66 116.04 2hi6 n ARG 10 Ca 0.06 -1.78 0.00 0.00 -0.77 0.00 0.00 57.85 55.36 2hi6 n ARG 10 Cb 0.60 0.72 0.00 0.00 -1.02 0.00 0.00 32.46 32.76 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 1.37 1.04 3.18 -0.13 0.00 -1.26 -4.09 105.19 105.30 2hi6 n GLY 11 Ca -0.07 -2.13 -0.12 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.41 0.57 0.07 1.61 3.03 -1.26 0.04 118.95 121.60 2hi6 s ARG 12 Ca 0.00 -0.25 -0.20 0.00 2.03 0.00 0.00 55.73 57.31 2hi6 s ARG 12 Cb 0.00 0.25 0.05 0.00 -1.03 0.00 0.00 34.95 34.21 2hi6 s ARG 12 CO 0.00 -0.15 0.48 0.00 -1.13 0.00 0.00 175.30 174.50 2hi6 s ALA 13 N -1.27 -1.19 -0.06 7.88 0.00 -0.67 -5.01 121.76 121.44 2hi6 s ALA 13 Ca -0.13 0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.26 2hi6 s ALA 13 Cb -0.06 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.53 2hi6 s ALA 13 CO 0.03 -0.54 -0.19 -2.00 0.00 0.00 0.00 175.76 173.06 2hi6 s GLU 14 N -2.82 2.18 0.28 0.00 2.12 -1.26 -1.79 118.70 117.41 2hi6 s GLU 14 Ca -0.03 -0.67 -0.20 0.00 0.36 0.00 0.00 54.97 54.43 2hi6 s GLU 14 Cb -0.00 -1.79 0.05 0.00 0.26 0.00 0.00 34.13 32.65 2hi6 s GLU 14 CO -0.05 0.20 0.86 0.20 -0.54 0.00 0.00 175.26 175.93 2hi6 s GLY 15 N 0.22 0.10 0.15 -1.50 0.00 -1.20 -5.02 107.32 100.08 2hi6 s GLY 15 Ca -0.10 -0.40 -0.30 0.00 0.00 0.00 0.00 44.72 43.91 2hi6 s GLY 15 CO 0.04 0.41 1.23 1.85 0.00 0.00 0.00 173.10 176.64 2hi6 s GLU 16 N -2.80 4.45 -0.19 2.90 2.56 -1.26 -3.05 118.70 121.31 2hi6 s GLU 16 Ca 0.15 1.89 -0.29 0.00 0.00 0.00 0.00 54.97 56.73 2hi6 s GLU 16 Cb -0.04 -3.26 0.00 0.00 2.00 0.00 0.00 34.13 32.83 2hi6 s GLU 16 CO 0.07 -0.19 1.04 0.00 -0.56 0.00 0.00 175.26 175.63 2hi6 s ALA 17 N 0.36 3.61 -0.28 6.30 0.00 0.81 -0.47 121.76 132.09 2hi6 s ALA 17 Ca 0.56 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.74 2hi6 s ALA 17 Cb -0.33 -3.52 0.03 0.00 0.00 0.00 0.00 23.12 19.30 2hi6 s ALA 17 CO 0.34 -0.93 -0.01 -1.17 0.00 0.00 0.00 175.76 174.00 2hi6 s LEU 18 N 2.88 3.57 -0.39 0.00 0.20 0.68 -0.33 118.68 125.29 2hi6 s LEU 18 Ca 0.46 -0.94 -0.12 0.00 0.69 0.00 0.00 54.13 54.21 2hi6 s LEU 18 Cb -0.16 -1.73 0.03 0.00 -0.43 0.00 0.00 46.19 43.89 2hi6 s LEU 18 CO 0.10 -0.18 0.24 -0.69 -0.29 0.00 0.00 176.35 175.52 2hi6 s VAL 19 N 1.35 4.80 -0.32 1.68 1.01 -1.26 -0.18 120.40 127.48 2hi6 s VAL 19 Ca -0.01 -0.81 -0.23 0.00 0.00 0.00 0.00 61.98 60.93 2hi6 s VAL 19 Cb -0.18 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2hi6 s VAL 19 CO -0.02 -0.27 0.76 -0.89 0.00 0.00 0.00 175.10 174.68 2hi6 s THR 20 N 1.59 4.81 0.12 3.92 2.01 -0.36 -4.82 115.64 122.91 2hi6 s THR 20 Ca 0.03 1.08 0.19 0.00 0.31 0.00 0.00 61.69 63.29 2hi6 s THR 20 Cb -0.19 -4.13 0.13 0.00 0.01 0.00 0.00 72.50 68.32 2hi6 s THR 20 CO 0.08 -0.26 1.69 0.11 -0.69 0.00 0.00 174.62 175.55 2hi6 h LYS 21 N 8.19 0.00 -6.49 4.92 6.56 -1.97 -3.38 116.57 124.39 2hi6 h LYS 21 Ca -0.25 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 58.82 2hi6 h LYS 21 Cb 1.10 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.74 2hi6 h LYS 21 CO 0.87 0.39 -0.12 -1.21 -2.06 0.00 0.00 179.45 177.32 2hi6 s GLU 22 N -3.50 3.70 -0.89 3.15 0.41 -1.26 -4.87 118.70 115.43 2hi6 s GLU 22 Ca 0.01 0.13 -0.18 0.00 -0.41 0.00 0.00 54.97 54.52 2hi6 s GLU 22 Cb 0.10 -2.63 0.14 0.00 -1.78 0.00 0.00 34.13 29.96 2hi6 s GLU 22 CO 0.69 0.23 1.05 1.52 -0.49 0.00 0.00 175.26 178.27 2hi6 s TYR 23 N -2.01 3.19 0.23 1.61 -0.85 -1.26 -4.65 117.35 113.61 2hi6 s TYR 23 Ca 0.46 -1.42 -0.19 0.00 -0.52 0.00 0.00 57.07 55.40 2hi6 s TYR 23 Cb -0.11 -4.21 -0.08 0.00 0.38 0.00 0.00 41.96 37.94 2hi6 s TYR 23 CO 0.27 -1.42 0.71 0.96 -1.52 0.00 0.00 175.55 174.56 2hi6 s ILE 24 N 2.39 4.61 0.22 -3.49 -4.36 -1.26 -4.75 121.20 114.55 2hi6 s ILE 24 Ca 0.29 1.20 -0.09 0.00 -0.26 0.00 0.00 60.65 61.80 2hi6 s ILE 24 Cb -0.07 -3.81 -0.07 0.00 1.25 0.00 0.00 42.46 39.76 2hi6 s ILE 24 CO -0.08 0.15 0.52 -0.44 0.24 0.00 0.00 174.94 175.33 2hi6 s SER 25 N -1.75 6.59 -0.04 4.36 0.01 -1.24 -4.14 113.70 117.49 2hi6 s SER 25 Ca 0.44 0.85 0.06 0.00 1.31 0.00 0.00 55.95 58.61 2hi6 s SER 25 Cb -0.16 -2.20 0.23 0.00 0.21 0.00 0.00 66.02 64.11 2hi6 s SER 25 CO 0.20 -0.06 1.02 0.49 0.41 0.00 0.00 173.24 175.31 2hi6 n PHE 26 N -0.13 0.48 0.78 2.43 3.01 0.29 -4.04 117.46 120.29 2hi6 n PHE 26 Ca -0.00 -0.19 0.10 0.00 1.01 0.00 0.00 57.45 58.37 2hi6 n PHE 26 Cb 0.52 -0.12 0.45 0.00 -0.01 0.00 0.00 39.48 40.33 2hi6 n PHE 26 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2hi6 n LEU 27 N 0.18 0.00 0.00 4.37 4.77 -1.26 -3.13 117.00 121.93 2hi6 n LEU 27 Ca 0.08 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2hi6 n LEU 27 Cb 0.37 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2hi6 n LEU 27 CO 0.08 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 2hi6 n GLY 28 N 0.50 0.40 0.04 -0.72 0.00 -1.26 -4.94 105.19 99.22 2hi6 n GLY 28 Ca 0.07 -0.49 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.66 3.76 -0.02 0.00 -1.26 -4.91 105.19 102.10 2hi6 n GLY 29 Ca 0.00 -0.28 -0.38 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 -2.62 5.11 0.21 -0.61 1.09 -1.26 0.38 121.20 123.49 2hi6 s ILE 30 Ca -0.06 0.93 -0.30 0.00 -1.10 0.00 0.00 60.65 60.12 2hi6 s ILE 30 Cb 0.06 -3.79 -0.09 0.00 -1.06 0.00 0.00 42.46 37.59 2hi6 s ILE 30 CO 0.57 0.42 1.30 -0.62 -0.10 0.00 0.00 174.94 176.51 2hi6 s ASP 31 N -0.02 6.91 0.21 3.58 2.15 0.65 -4.92 116.67 125.22 2hi6 s ASP 31 Ca 0.25 2.41 0.24 0.00 0.43 0.00 0.00 52.55 55.88 2hi6 s ASP 31 Cb -0.16 -2.61 0.91 0.00 -0.30 0.00 0.00 42.92 40.76 2hi6 s ASP 31 CO 0.12 -0.51 1.72 2.29 -0.17 0.00 0.00 175.17 178.62 2hi6 n LYS 32 N 2.41 0.19 -0.09 4.34 2.85 -1.26 -1.54 118.16 125.06 2hi6 n LYS 32 Ca 0.05 0.32 -0.16 0.00 -1.05 0.00 0.00 58.31 57.48 2hi6 n LYS 32 Cb 0.43 -1.80 -0.07 0.00 -0.65 0.00 0.00 35.03 32.93 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 -2.14 0.42 -0.05 -1.58 1.02 -1.26 -4.73 120.64 112.31 2hi6 n GLU 33 Ca 0.03 0.13 -0.03 0.00 -0.02 0.00 0.00 57.16 57.28 2hi6 n GLU 33 Cb 0.29 -1.26 -0.15 0.00 -0.02 0.00 0.00 31.44 30.30 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 -3.38 1.04 -0.82 2.62 -2.24 -1.25 -4.91 114.28 105.34 2hi6 n THR 34 Ca -0.33 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 2hi6 n THR 34 Cb 0.80 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 1.56 0.64 3.73 3.38 0.00 -0.59 -4.76 105.19 109.15 2hi6 n GLY 35 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.25 4.70 0.07 -0.61 -1.09 -1.26 -1.63 121.20 119.13 2hi6 s ILE 36 Ca 0.00 1.83 -0.30 0.00 -2.23 0.00 0.00 60.65 59.95 2hi6 s ILE 36 Cb 0.00 -4.21 -0.05 0.00 -1.58 0.00 0.00 42.46 36.62 2hi6 s ILE 36 CO 0.00 0.31 1.07 0.68 -1.23 0.00 0.00 174.94 175.76 2hi6 s VAL 37 N 0.20 4.38 -0.57 2.92 -7.23 -1.18 -0.25 120.40 118.67 2hi6 s VAL 37 Ca 0.43 1.80 0.23 0.00 -1.81 0.00 0.00 61.98 62.62 2hi6 s VAL 37 Cb -0.21 -4.15 -0.15 0.00 0.56 0.00 0.00 36.38 32.43 2hi6 s VAL 37 CO 0.26 0.19 0.94 0.29 -0.31 0.00 0.00 175.10 176.47 2hi6 n LYS 38 N 3.47 0.31 -3.70 4.82 4.76 0.16 -4.10 118.16 123.88 2hi6 n LYS 38 Ca 0.06 -0.02 -0.29 0.00 -2.87 0.00 0.00 58.31 55.19 2hi6 n LYS 38 Cb 0.48 -1.58 -0.12 0.00 -1.84 0.00 0.00 35.03 31.97 2hi6 n LYS 38 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2hi6 s GLU 39 N -3.22 1.54 0.00 1.97 2.56 -1.22 -5.06 118.70 115.27 2hi6 s GLU 39 Ca 0.03 -2.41 0.00 0.00 0.00 0.00 0.00 54.97 52.58 2hi6 s GLU 39 Cb 0.14 -2.46 0.00 0.00 2.00 0.00 0.00 34.13 33.81 2hi6 s GLU 39 CO 0.82 -1.24 0.00 -3.47 -0.56 0.00 0.00 175.26 170.81 2hi6 n ASP 40 N 2.95 0.00 0.00 -1.70 2.03 -1.26 -4.89 116.55 113.68 2hi6 n ASP 40 Ca 0.16 -0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.19 2hi6 n ASP 40 Cb 0.37 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 2hi6 n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hi6 n GLU 42 N -0.75 0.32 -0.36 0.00 -0.58 -1.26 -4.63 120.64 113.38 2hi6 n GLU 42 Ca 0.00 0.12 0.11 0.00 -0.42 0.00 0.00 57.16 56.97 2hi6 n GLU 42 Cb 0.00 -1.09 0.31 0.00 -0.57 0.00 0.00 31.44 30.09 2hi6 n GLU 42 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2hi6 n ILE 43 N -3.45 1.01 -1.58 -3.67 -5.35 -1.26 -4.94 119.36 100.13 2hi6 n ILE 43 Ca -0.27 -1.00 -0.48 0.00 -0.27 0.00 0.00 62.75 60.72 2hi6 n ILE 43 Cb 0.72 0.49 -0.05 0.00 -1.74 0.00 0.00 39.64 39.06 2hi6 n ILE 43 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2hi6 n LYS 44 N 1.54 1.70 0.00 6.28 4.81 -1.26 -0.29 118.16 130.94 2hi6 n LYS 44 Ca 0.23 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 2hi6 n LYS 44 Cb 0.61 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.95 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 5.51 1.70 3.93 3.14 0.00 -1.26 -4.98 105.19 113.24 2hi6 n GLY 45 Ca 0.31 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.29 2.70 0.13 1.61 2.02 0.60 -4.95 118.70 120.52 2hi6 s GLU 46 Ca 0.00 -1.37 0.06 0.00 0.02 0.00 0.00 54.97 53.68 2hi6 s GLU 46 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 2hi6 s GLU 46 CO 0.00 -0.18 0.00 0.45 0.02 0.00 0.00 175.26 175.55 2hi6 s SER 47 N -4.21 4.92 0.00 -0.19 0.15 -1.26 -3.08 113.70 110.04 2hi6 s SER 47 Ca 0.50 -0.28 0.19 0.00 0.70 0.00 0.00 55.95 57.06 2hi6 s SER 47 Cb -0.06 -1.12 0.29 0.00 -1.71 0.00 0.00 66.02 63.41 2hi6 s SER 47 CO 0.30 0.13 1.23 1.33 1.20 0.00 0.00 173.24 177.43 2hi6 n VAL 48 N 0.22 0.35 -2.17 4.45 0.24 -0.65 -4.83 118.33 115.95 2hi6 n VAL 48 Ca -0.10 -0.68 -0.31 0.00 -2.04 0.00 0.00 64.34 61.21 2hi6 n VAL 48 Cb 0.53 1.08 -0.05 0.00 -1.47 0.00 0.00 33.84 33.94 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 -1.39 2.00 0.00 2.33 0.00 -1.25 -2.00 121.76 121.45 2hi6 s ALA 49 Ca 0.29 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 50.28 2hi6 s ALA 49 Cb 0.18 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.69 2hi6 s ALA 49 CO 0.25 -4.68 0.00 0.41 0.00 0.00 0.00 175.76 171.75 2hi6 n GLY 50 N 6.33 1.32 3.60 0.00 0.00 -1.18 -4.97 105.19 110.29 2hi6 n GLY 50 Ca 0.42 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.19 2.14 -0.31 1.61 0.52 -0.85 -4.36 118.95 117.52 2hi6 s ARG 51 Ca 0.00 -1.44 -0.18 0.00 -0.52 0.00 0.00 55.73 53.59 2hi6 s ARG 51 Cb 0.00 -2.10 -0.02 0.00 0.52 0.00 0.00 34.95 33.36 2hi6 s ARG 51 CO 0.00 0.37 0.51 0.42 0.02 0.00 0.00 175.30 176.62 2hi6 s ILE 52 N -2.23 5.04 -0.42 1.52 1.01 0.38 -0.35 121.20 126.15 2hi6 s ILE 52 Ca 0.30 0.60 -0.22 0.00 0.00 0.00 0.00 60.65 61.34 2hi6 s ILE 52 Cb -0.07 -3.89 0.02 0.00 0.01 0.00 0.00 42.46 38.53 2hi6 s ILE 52 CO 0.18 -0.06 0.69 -0.22 0.00 0.00 0.00 174.94 175.53 2hi6 s LEU 53 N 2.35 4.35 -0.30 2.97 2.96 0.46 -0.23 118.68 131.25 2hi6 s LEU 53 Ca 0.20 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 2hi6 s LEU 53 Cb -0.15 -2.83 0.08 0.00 0.50 0.00 0.00 46.19 43.78 2hi6 s LEU 53 CO 0.11 -0.78 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.64 2hi6 s VAL 54 N 2.96 2.37 0.13 1.68 1.01 0.74 -2.01 120.40 127.29 2hi6 s VAL 54 Ca 0.26 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.36 2hi6 s VAL 54 Cb -0.13 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2hi6 s VAL 54 CO 0.19 -0.27 0.01 0.72 0.00 0.00 0.00 175.10 175.75 2hi6 s PHE 55 N 1.05 0.96 0.13 5.22 -0.71 -1.19 -1.22 117.98 122.21 2hi6 s PHE 55 Ca -0.01 -1.09 -0.26 0.00 -1.04 0.00 0.00 56.93 54.53 2hi6 s PHE 55 Cb -0.20 -0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 41.02 2hi6 s PHE 55 CO -0.06 -0.34 1.62 -1.00 -1.34 0.00 0.00 175.22 174.11 2hi6 h PRO 56 N 2.85 -0.41 0.00 1.99 0.13 -1.83 -3.30 132.00 131.44 2hi6 h PRO 56 Ca -0.36 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2hi6 h PRO 56 Cb 1.19 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2hi6 h PRO 56 CO 0.62 -0.27 0.00 0.41 -0.23 0.00 0.00 178.00 178.53 2hi6 n GLY 57 N -1.40 3.32 0.00 1.56 0.00 -1.26 -1.38 105.19 106.03 2hi6 n GLY 57 Ca -0.04 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.33 0.94 2.83 -0.02 0.00 -1.26 -4.85 105.19 102.50 2hi6 n GLY 58 Ca 0.00 0.45 -0.00 0.00 0.00 0.00 0.00 46.02 46.47 2hi6 n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hi6 n LYS 59 N 0.00 -2.80 -0.09 1.61 5.02 -1.26 -3.69 118.16 116.95 2hi6 n LYS 59 Ca 0.00 2.36 -0.14 0.00 -2.02 0.00 0.00 58.31 58.51 2hi6 n LYS 59 Cb 0.00 -4.30 -0.05 0.00 -0.02 0.00 0.00 35.03 30.67 2hi6 n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hi6 n GLY 60 N 0.93 -0.46 5.66 0.72 0.00 -1.26 -0.54 105.19 110.23 2hi6 n GLY 60 Ca -0.02 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.78 2hi6 n GLY 60 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2hi6 n SER 61 N -4.29 -4.88 0.22 1.61 2.88 -1.26 -1.30 113.62 106.60 2hi6 n SER 61 Ca -0.23 0.26 0.09 0.00 -1.33 0.00 0.00 58.87 57.66 2hi6 n SER 61 Cb 0.58 -0.74 0.50 0.00 -0.75 0.00 0.00 64.21 63.80 2hi6 n SER 61 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2hi6 h THR 62 N -0.23 0.67 -0.28 2.46 2.02 -1.97 -2.86 112.91 112.72 2hi6 h THR 62 Ca 0.01 -1.05 -0.15 0.00 0.77 0.00 0.00 66.41 65.99 2hi6 h THR 62 Cb 0.22 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 2hi6 h THR 62 CO 0.00 0.23 -0.42 1.62 0.37 0.00 0.00 175.52 177.32 2hi6 h VAL 63 N 0.00 1.29 -0.25 3.16 3.04 -1.88 -3.33 116.25 118.28 2hi6 h VAL 63 Ca -0.00 -1.60 -0.67 0.00 -1.01 0.00 0.00 66.70 63.41 2hi6 h VAL 63 Cb 0.66 1.53 -0.01 0.00 -2.01 0.00 0.00 31.29 31.46 2hi6 h VAL 63 CO 0.03 0.51 3.45 0.61 -1.01 0.00 0.00 177.57 181.16 2hi6 n GLY 64 N 0.08 4.43 1.90 3.17 0.00 -0.42 -4.09 105.19 110.26 2hi6 n GLY 64 Ca -0.02 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 3.14 0.00 0.18 1.61 3.41 -1.25 -3.86 113.62 116.85 2hi6 n SER 65 Ca 0.75 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 59.49 2hi6 n SER 65 Cb 0.25 0.02 0.57 0.00 -0.26 0.00 0.00 64.21 64.79 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 -0.52 7.33 0.05 -1.81 -2.70 116.97 119.32 2hi6 h TYR 66 Ca 0.00 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.81 2hi6 h TYR 66 Cb 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 2hi6 h TYR 66 CO 0.00 0.00 0.29 0.28 -1.05 0.00 0.00 178.16 177.68 2hi6 h VAL 67 N 0.00 1.02 -0.81 -2.88 2.07 -1.91 -0.58 116.25 113.16 2hi6 h VAL 67 Ca 0.00 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2hi6 h VAL 67 Cb 0.39 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 2hi6 h VAL 67 CO 0.00 0.11 0.43 -0.07 0.02 0.00 0.00 177.57 178.05 2hi6 h LEU 68 N 0.58 1.01 -0.56 2.57 -0.00 -1.81 -0.12 115.31 116.98 2hi6 h LEU 68 Ca 0.22 -0.09 -0.11 0.00 -0.00 0.00 0.00 57.88 57.90 2hi6 h LEU 68 Cb 0.07 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.45 2hi6 h LEU 68 CO -0.12 0.83 -0.07 0.25 -0.00 0.00 0.00 178.44 179.33 2hi6 h LEU 69 N 1.13 1.03 -0.37 1.67 5.85 -1.48 0.79 115.31 123.94 2hi6 h LEU 69 Ca 0.28 -0.34 -0.14 0.00 0.84 0.00 0.00 57.88 58.53 2hi6 h LEU 69 Cb 0.05 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2hi6 h LEU 69 CO -0.04 1.12 -0.33 -1.13 -0.34 0.00 0.00 178.44 177.72 2hi6 h ASN 70 N 0.91 0.92 -0.59 1.25 -1.24 -0.70 -2.39 115.58 113.74 2hi6 h ASN 70 Ca 0.15 -0.46 -0.03 0.00 0.71 0.00 0.00 56.30 56.67 2hi6 h ASN 70 Cb 0.63 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 39.40 2hi6 h ASN 70 CO 0.04 1.19 0.25 -0.07 -1.29 0.00 0.00 177.43 177.55 2hi6 h LEU 71 N 0.67 0.83 -0.97 0.34 3.38 -0.88 -2.74 115.31 115.95 2hi6 h LEU 71 Ca 0.06 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2hi6 h LEU 71 Cb 0.91 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2hi6 h LEU 71 CO 0.08 0.74 0.14 -0.09 0.09 0.00 0.00 178.44 179.41 2hi6 h ARG 72 N 0.90 0.89 0.00 1.13 1.12 -0.59 0.75 114.38 118.59 2hi6 h ARG 72 Ca 0.21 -0.19 -0.09 0.00 -1.11 0.00 0.00 59.98 58.81 2hi6 h ARG 72 Cb 0.17 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 29.99 2hi6 h ARG 72 CO -0.02 0.80 -0.43 0.87 -3.11 0.00 0.00 179.97 178.08 2hi6 h LYS 73 N 0.86 0.00 0.00 0.20 1.57 -1.14 -2.72 116.57 115.34 2hi6 h LYS 73 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2hi6 h LYS 73 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2hi6 h LYS 73 CO -0.00 0.43 -0.68 -1.71 -0.57 0.00 0.00 179.45 176.92 2hi6 n ASN 74 N -3.95 0.66 0.00 0.86 5.15 -0.81 -4.94 115.26 112.24 2hi6 n ASN 74 Ca -0.02 0.04 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 2hi6 n ASN 74 Cb 0.47 0.27 0.00 0.00 -0.53 0.00 0.00 39.78 39.98 2hi6 n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2hi6 n GLY 75 N 1.36 0.64 1.54 8.20 0.00 0.12 -4.91 105.19 112.14 2hi6 n GLY 75 Ca 0.03 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.70 1.70 -2.50 1.61 0.24 -0.41 -4.67 118.33 111.59 2hi6 n VAL 76 Ca 0.00 -1.18 -0.32 0.00 -2.04 0.00 0.00 64.34 60.81 2hi6 n VAL 76 Cb 0.00 0.19 -0.03 0.00 -1.47 0.00 0.00 33.84 32.52 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 -1.72 3.13 0.75 2.33 0.00 -1.13 -3.92 121.76 121.21 2hi6 s ALA 77 Ca 0.51 0.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.45 2hi6 s ALA 77 Cb 0.32 -3.03 0.04 0.00 0.00 0.00 0.00 23.12 20.45 2hi6 s ALA 77 CO 0.26 -0.18 1.09 -1.25 0.00 0.00 0.00 175.76 175.68 2hi6 s PRO 78 N -4.02 2.39 0.27 0.00 0.04 -1.23 -3.11 135.00 129.35 2hi6 s PRO 78 Ca 0.57 1.19 0.08 0.00 0.04 0.00 0.00 61.00 62.88 2hi6 s PRO 78 Cb -0.10 -1.91 0.36 0.00 0.04 0.00 0.00 34.50 32.89 2hi6 s PRO 78 CO 0.31 -1.54 1.62 0.87 0.04 0.00 0.00 177.00 178.30 2hi6 h LYS 79 N -0.90 0.12 -2.18 4.56 1.79 -0.91 -3.46 116.57 115.59 2hi6 h LYS 79 Ca -0.44 -0.08 0.16 0.00 -2.18 0.00 0.00 60.65 58.11 2hi6 h LYS 79 Cb 1.23 0.01 -0.13 0.00 -1.58 0.00 0.00 32.23 31.76 2hi6 h LYS 79 CO 0.52 0.65 0.54 0.00 -1.08 0.00 0.00 179.45 180.08 2hi6 s ALA 80 N -3.79 -1.82 -0.08 3.86 0.00 -1.25 -4.73 121.76 113.95 2hi6 s ALA 80 Ca -0.03 0.73 -0.02 0.00 0.00 0.00 0.00 51.96 52.65 2hi6 s ALA 80 Cb 0.13 0.45 0.03 0.00 0.00 0.00 0.00 23.12 23.73 2hi6 s ALA 80 CO 0.77 -0.83 0.03 0.42 0.00 0.00 0.00 175.76 176.16 2hi6 s ILE 81 N -3.07 0.18 -0.22 0.00 1.01 -1.23 -0.40 121.20 117.47 2hi6 s ILE 81 Ca 0.08 0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 2hi6 s ILE 81 Cb -0.01 -0.44 0.01 0.00 0.01 0.00 0.00 42.46 42.04 2hi6 s ILE 81 CO -0.04 0.16 -0.08 -0.63 0.00 0.00 0.00 174.94 174.35 2hi6 s ILE 82 N 2.05 2.90 0.25 2.92 -1.09 -0.85 -3.66 121.20 123.72 2hi6 s ILE 82 Ca 0.04 -0.80 0.11 0.00 -2.23 0.00 0.00 60.65 57.78 2hi6 s ILE 82 Cb -0.13 -2.36 -0.05 0.00 -1.58 0.00 0.00 42.46 38.34 2hi6 s ILE 82 CO -0.05 0.36 -0.19 0.20 -1.23 0.00 0.00 174.94 174.03 2hi6 s ASN 83 N 1.38 3.68 -0.10 3.58 0.02 -1.03 -3.16 114.94 119.31 2hi6 s ASN 83 Ca 0.03 -0.93 -0.19 0.00 -1.02 0.00 0.00 52.86 50.75 2hi6 s ASN 83 Cb -0.15 -0.36 -0.28 0.00 0.02 0.00 0.00 41.25 40.48 2hi6 s ASN 83 CO -0.06 0.06 0.65 0.50 0.02 0.00 0.00 177.10 178.27 2hi6 h LYS 84 N 2.49 0.21 -2.96 -0.60 3.11 -1.30 0.11 116.57 117.64 2hi6 h LYS 84 Ca -0.42 -0.36 -0.39 0.00 -2.81 0.00 0.00 60.65 56.67 2hi6 h LYS 84 Cb 1.24 0.13 -0.39 0.00 -1.00 0.00 0.00 32.23 32.22 2hi6 h LYS 84 CO 0.57 1.17 -0.70 0.21 -2.81 0.00 0.00 179.45 177.89 2hi6 s LYS 85 N -2.42 0.07 0.34 1.90 2.36 -0.49 -4.21 119.74 117.29 2hi6 s LYS 85 Ca -0.19 0.16 0.01 0.00 -2.55 0.00 0.00 55.97 53.40 2hi6 s LYS 85 Cb 0.03 -1.24 -0.00 0.00 -1.05 0.00 0.00 37.83 35.57 2hi6 s LYS 85 CO 0.76 -0.56 0.04 -2.37 1.55 0.00 0.00 175.35 174.77 2hi6 n THR 86 N 5.30 0.00 -4.30 3.43 5.66 -1.26 -4.24 114.28 118.87 2hi6 n THR 86 Ca -0.06 -1.73 -0.29 0.00 -3.05 0.00 0.00 64.05 58.92 2hi6 n THR 86 Cb 0.49 0.44 -0.11 0.00 -1.55 0.00 0.00 70.33 69.60 2hi6 n THR 86 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2hi6 s GLU 87 N -3.26 1.84 0.28 1.09 2.02 -1.26 -5.04 118.70 114.38 2hi6 s GLU 87 Ca 0.05 -1.19 -0.02 0.00 0.02 0.00 0.00 54.97 53.83 2hi6 s GLU 87 Cb 0.00 -2.13 0.40 0.00 0.10 0.00 0.00 34.13 32.50 2hi6 s GLU 87 CO 0.04 0.47 1.89 1.15 0.02 0.00 0.00 175.26 178.83 2hi6 h THR 88 N 3.41 1.22 -0.87 3.63 2.02 -2.00 -2.35 112.91 117.97 2hi6 h THR 88 Ca -0.49 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.07 2hi6 h THR 88 Cb 1.17 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 2hi6 h THR 88 CO 0.48 0.26 0.51 0.40 0.37 0.00 0.00 175.52 177.53 2hi6 h ILE 89 N 0.99 1.24 -0.65 3.11 2.04 -1.92 -1.58 117.51 120.74 2hi6 h ILE 89 Ca 0.24 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 2hi6 h ILE 89 Cb 0.09 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.17 2hi6 h ILE 89 CO -0.03 0.26 0.28 0.40 0.00 0.00 0.00 178.15 179.06 2hi6 h ILE 90 N 1.20 1.23 -0.76 -0.67 2.04 -1.54 -1.35 117.51 117.67 2hi6 h ILE 90 Ca 0.31 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 2hi6 h ILE 90 Cb -0.02 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 2hi6 h ILE 90 CO -0.06 0.28 0.39 0.00 0.00 0.00 0.00 178.15 178.77 2hi6 h ALA 91 N 1.12 1.27 -0.50 1.87 0.00 -1.10 0.90 119.26 122.83 2hi6 h ALA 91 Ca 0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2hi6 h ALA 91 Cb 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2hi6 h ALA 91 CO -0.02 0.58 0.16 0.28 0.00 0.00 0.00 179.25 180.25 2hi6 h VAL 92 N 1.06 1.23 -0.70 0.00 2.07 -0.75 -0.26 116.25 118.89 2hi6 h VAL 92 Ca 0.27 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 2hi6 h VAL 92 Cb 0.06 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2hi6 h VAL 92 CO -0.04 0.27 0.16 1.23 0.02 0.00 0.00 177.57 179.21 2hi6 h GLY 93 N 0.67 1.22 1.75 2.17 0.00 -0.66 -2.49 103.07 105.74 2hi6 h GLY 93 Ca 0.16 -0.78 -0.06 0.00 0.00 0.00 0.00 47.33 46.65 2hi6 h GLY 93 CO -0.01 0.72 -0.17 0.00 0.00 0.00 0.00 176.54 177.09 2hi6 h ALA 94 N 1.08 1.39 0.00 3.60 0.00 -0.62 -1.75 119.26 122.96 2hi6 h ALA 94 Ca 0.22 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2hi6 h ALA 94 Cb 0.39 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2hi6 h ALA 94 CO 0.00 0.42 -0.13 0.00 0.00 0.00 0.00 179.25 179.55 2hi6 h ALA 95 N 1.55 1.30 0.13 0.00 0.00 -0.59 0.67 119.26 122.32 2hi6 h ALA 95 Ca 0.05 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 2hi6 h ALA 95 Cb 0.47 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.26 2hi6 h ALA 95 CO 0.03 0.16 -0.87 0.52 0.00 0.00 0.00 179.25 179.09 2hi6 h MET 96 N 0.00 0.35 -0.00 0.00 2.86 -1.12 -3.31 114.93 113.71 2hi6 h MET 96 Ca -0.00 -0.56 0.00 0.00 -2.06 0.00 0.00 59.70 57.08 2hi6 h MET 96 Cb 0.35 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2hi6 h MET 96 CO 0.02 1.25 -0.01 0.00 1.06 0.00 0.00 176.91 179.23 2hi6 n ALA 97 N -2.66 2.66 -3.22 6.32 0.00 -0.90 -4.90 120.51 117.80 2hi6 n ALA 97 Ca -0.14 -0.28 -0.19 0.00 0.00 0.00 0.00 53.44 52.84 2hi6 n ALA 97 Cb 0.84 -1.39 0.05 0.00 0.00 0.00 0.00 19.45 18.95 2hi6 n ALA 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2hi6 n GLU 98 N -0.66 -5.63 -3.62 0.00 1.02 -0.10 -4.95 120.64 106.70 2hi6 n GLU 98 Ca 0.21 0.68 -0.39 0.00 -0.02 0.00 0.00 57.16 57.64 2hi6 n GLU 98 Cb 0.21 -5.20 -0.08 0.00 -0.02 0.00 0.00 31.44 26.35 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 -3.19 4.19 0.09 -3.67 1.01 0.04 -5.00 121.20 114.67 2hi6 s ILE 99 Ca 0.40 -2.87 -0.32 0.00 0.00 0.00 0.00 60.65 57.86 2hi6 s ILE 99 Cb -0.18 -3.68 -0.11 0.00 0.01 0.00 0.00 42.46 38.50 2hi6 s ILE 99 CO 0.50 -0.92 1.81 -0.81 0.00 0.00 0.00 174.94 175.51 2hi6 n PRO 100 N 3.56 2.58 -4.37 2.79 -0.04 -1.26 -4.60 135.00 133.66 2hi6 n PRO 100 Ca 0.10 0.94 -0.22 0.00 -0.04 0.00 0.00 63.50 64.27 2hi6 n PRO 100 Cb 0.40 -2.81 -0.13 0.00 -0.04 0.00 0.00 33.50 30.92 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 2.71 2.23 0.09 1.53 0.05 -1.26 -3.50 118.68 120.52 2hi6 s LEU 101 Ca 0.83 -0.57 0.03 0.00 0.05 0.00 0.00 54.13 54.47 2hi6 s LEU 101 Cb -0.55 -0.76 -0.04 0.00 -2.05 0.00 0.00 46.19 42.79 2hi6 s LEU 101 CO 0.40 0.05 -0.08 0.68 -0.55 0.00 0.00 176.35 176.85 2hi6 s VAL 102 N -1.00 0.78 -0.28 1.48 -7.23 -1.24 -2.88 120.40 110.03 2hi6 s VAL 102 Ca 0.04 -1.66 -0.15 0.00 -1.81 0.00 0.00 61.98 58.40 2hi6 s VAL 102 Cb -0.09 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 2hi6 s VAL 102 CO 0.02 -0.65 0.37 -1.61 -0.31 0.00 0.00 175.10 172.93 2hi6 s GLU 103 N -2.98 3.97 -0.24 4.82 2.02 0.37 -2.47 118.70 124.19 2hi6 s GLU 103 Ca 0.05 -0.02 -0.02 0.00 0.02 0.00 0.00 54.97 55.00 2hi6 s GLU 103 Cb -0.01 -3.67 0.02 0.00 0.10 0.00 0.00 34.13 30.56 2hi6 s GLU 103 CO -0.02 -0.30 -0.06 0.54 0.02 0.00 0.00 175.26 175.44 2hi6 s VAL 104 N 2.06 2.99 -0.07 2.63 0.11 0.40 -2.08 120.40 126.43 2hi6 s VAL 104 Ca 0.15 -0.90 0.14 0.00 -2.93 0.00 0.00 61.98 58.44 2hi6 s VAL 104 Cb -0.16 -2.47 -0.22 0.00 -1.53 0.00 0.00 36.38 32.00 2hi6 s VAL 104 CO 0.10 0.26 0.61 -1.14 -3.33 0.00 0.00 175.10 171.60 2hi6 n ARG 105 N 4.70 0.64 -2.12 1.54 0.63 -1.26 -3.92 116.66 116.87 2hi6 n ARG 105 Ca -0.17 0.24 -0.43 0.00 -0.92 0.00 0.00 57.85 56.58 2hi6 n ARG 105 Cb 0.48 -1.76 -0.03 0.00 0.45 0.00 0.00 32.46 31.61 2hi6 n ARG 105 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2hi6 s ASP 106 N -5.96 6.59 0.54 6.15 -1.08 -1.26 -4.87 116.67 116.78 2hi6 s ASP 106 Ca -0.05 1.89 0.33 0.00 -0.52 0.00 0.00 52.55 54.20 2hi6 s ASP 106 Cb 0.08 -2.53 1.42 0.00 -1.46 0.00 0.00 42.92 40.43 2hi6 s ASP 106 CO 0.82 -1.04 2.01 -0.08 0.52 0.00 0.00 175.17 177.41 2hi6 h GLU 107 N 9.83 0.00 0.00 4.34 4.81 -2.01 -2.51 114.58 129.04 2hi6 h GLU 107 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2hi6 h GLU 107 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2hi6 h GLU 107 CO 0.98 0.06 0.00 0.87 -0.73 0.00 0.00 179.01 180.18 2hi6 h LYS 108 N 0.00 0.00 0.15 1.92 1.57 -1.97 0.16 116.57 118.39 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 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2hi6 h LYS 108 CO 0.01 0.00 -0.07 0.35 -0.57 0.00 0.00 179.45 179.17 2hi6 h PHE 109 N 0.00 -0.18 0.00 -1.35 3.57 -1.85 -0.36 116.94 116.77 2hi6 h PHE 109 Ca 0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2hi6 h PHE 109 Cb 0.11 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 2hi6 h PHE 109 CO 0.00 0.11 -0.31 0.74 -2.23 0.00 0.00 178.31 176.61 2hi6 h PHE 110 N -0.47 0.00 -0.26 0.41 0.04 -1.32 0.20 116.94 115.55 2hi6 h PHE 110 Ca -0.02 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.59 2hi6 h PHE 110 Cb 0.37 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 2hi6 h PHE 110 CO 0.02 0.31 -0.47 1.49 -0.60 0.00 0.00 178.31 179.06 2hi6 h GLU 111 N 0.00 0.68 0.00 1.51 4.81 -0.68 -3.34 114.58 117.56 2hi6 h GLU 111 Ca -0.00 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 58.82 2hi6 h GLU 111 Cb 0.73 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 2hi6 h GLU 111 CO 0.04 1.00 -0.13 0.00 -0.73 0.00 0.00 179.01 179.19 2hi6 h ALA 112 N 0.93 0.02 -2.82 2.92 0.00 -0.47 -3.46 119.26 116.39 2hi6 h ALA 112 Ca 0.03 -0.36 -0.52 0.00 0.00 0.00 0.00 54.91 54.07 2hi6 h ALA 112 Cb 1.02 0.09 0.04 0.00 0.00 0.00 0.00 17.79 18.94 2hi6 h ALA 112 CO 0.10 0.09 0.58 0.54 0.00 0.00 0.00 179.25 180.56 2hi6 s VAL 113 N -1.97 3.07 0.06 0.00 0.11 0.67 -5.03 120.40 117.31 2hi6 s VAL 113 Ca -0.12 1.04 0.03 0.00 -2.93 0.00 0.00 61.98 60.00 2hi6 s VAL 113 Cb -0.01 -3.66 -0.03 0.00 -1.53 0.00 0.00 36.38 31.15 2hi6 s VAL 113 CO 0.38 0.23 -0.09 -0.54 -3.33 0.00 0.00 175.10 171.75 2hi6 s LYS 114 N -1.35 0.62 -0.17 1.54 1.02 -1.26 -4.75 119.74 115.40 2hi6 s LYS 114 Ca 0.49 -0.87 -0.30 0.00 0.02 0.00 0.00 55.97 55.30 2hi6 s LYS 114 Cb -0.36 -0.37 -0.08 0.00 -0.52 0.00 0.00 37.83 36.50 2hi6 s LYS 114 CO 0.46 0.06 2.13 2.41 -0.92 0.00 0.00 175.35 179.49 2hi6 n THR 115 N 1.21 0.44 0.00 2.17 -1.04 -1.25 -2.41 114.28 113.40 2hi6 n THR 115 Ca -0.21 -0.33 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 2hi6 n THR 115 Cb 0.55 -2.31 0.00 0.00 -1.82 0.00 0.00 70.33 66.75 2hi6 n THR 115 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2hi6 n GLY 116 N 5.46 1.83 3.40 3.41 0.00 0.55 -4.97 105.19 114.88 2hi6 n GLY 116 Ca 0.29 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 2hi6 n GLY 116 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hi6 s ASP 117 N -2.00 1.97 -0.25 1.61 -1.08 -1.01 -4.92 116.67 110.98 2hi6 s ASP 117 Ca 0.00 -1.52 -0.13 0.00 -0.52 0.00 0.00 52.55 50.38 2hi6 s ASP 117 Cb 0.00 0.29 -0.04 0.00 -1.46 0.00 0.00 42.92 41.70 2hi6 s ASP 117 CO 0.00 -0.82 0.28 -0.60 0.52 0.00 0.00 175.17 174.55 2hi6 s ARG 118 N -3.84 4.05 -0.16 4.34 3.52 -1.24 -0.13 118.95 125.49 2hi6 s ARG 118 Ca 0.33 -0.09 0.01 0.00 -0.13 0.00 0.00 55.73 55.85 2hi6 s ARG 118 Cb 0.06 -3.60 0.00 0.00 -1.56 0.00 0.00 34.95 29.85 2hi6 s ARG 118 CO 0.16 -0.11 -0.18 0.08 -0.81 0.00 0.00 175.30 174.44 2hi6 s VAL 119 N 1.56 2.42 -0.41 7.11 1.01 -1.17 -1.32 120.40 129.60 2hi6 s VAL 119 Ca 0.12 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 2hi6 s VAL 119 Cb -0.15 -2.01 0.08 0.00 0.00 0.00 0.00 36.38 34.30 2hi6 s VAL 119 CO 0.08 0.52 0.24 -0.69 0.00 0.00 0.00 175.10 175.26 2hi6 s VAL 120 N 0.92 4.16 -0.10 2.92 1.01 0.77 -3.22 120.40 126.86 2hi6 s VAL 120 Ca -0.04 -1.40 -0.17 0.00 0.00 0.00 0.00 61.98 60.37 2hi6 s VAL 120 Cb -0.15 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 2hi6 s VAL 120 CO -0.03 -0.49 0.43 0.54 0.00 0.00 0.00 175.10 175.56 2hi6 s VAL 121 N 1.41 5.17 -0.41 2.92 0.11 -0.74 -0.35 120.40 128.51 2hi6 s VAL 121 Ca 0.03 0.86 0.02 0.00 -2.93 0.00 0.00 61.98 59.96 2hi6 s VAL 121 Cb -0.23 -3.76 0.12 0.00 -1.53 0.00 0.00 36.38 30.98 2hi6 s VAL 121 CO 0.02 0.39 0.18 0.21 -3.33 0.00 0.00 175.10 172.58 2hi6 s ASN 122 N 0.21 4.00 0.12 3.54 2.47 -0.43 -1.67 114.94 123.18 2hi6 s ASN 122 Ca 0.24 -2.41 0.26 0.00 0.42 0.00 0.00 52.86 51.37 2hi6 s ASN 122 Cb -0.15 -1.18 0.76 0.00 -1.45 0.00 0.00 41.25 39.22 2hi6 s ASN 122 CO 0.10 -0.31 1.66 0.00 -3.72 0.00 0.00 177.10 174.83 2hi6 n ALA 123 N 3.85 2.57 -0.03 1.71 0.00 0.11 -0.81 120.51 127.91 2hi6 n ALA 123 Ca 0.05 -0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.38 2hi6 n ALA 123 Cb 0.37 -1.36 0.35 0.00 0.00 0.00 0.00 19.45 18.80 2hi6 n ALA 123 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2hi6 h ASP 124 N 0.00 0.54 0.00 0.00 3.32 -1.81 -3.12 116.42 115.35 2hi6 h ASP 124 Ca 0.00 -0.05 -0.19 0.00 0.02 0.00 0.00 57.03 56.81 2hi6 h ASP 124 Cb 0.67 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.04 2hi6 h ASP 124 CO 0.00 0.47 -1.88 1.21 -1.72 0.00 0.00 179.24 177.33 2hi6 n GLU 125 N -4.39 1.47 -0.52 3.56 2.13 -1.19 -4.99 120.64 116.71 2hi6 n GLU 125 Ca 0.03 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2hi6 n GLU 125 Cb 0.13 -1.35 0.00 0.00 0.27 0.00 0.00 31.44 30.49 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 2.04 0.43 3.57 8.31 0.00 0.01 -4.95 105.19 114.61 2hi6 n GLY 126 Ca -0.18 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.23 2hi6 n GLY 126 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hi6 s TYR 127 N -2.32 -0.23 -0.07 1.61 1.13 -0.95 -3.30 117.35 113.22 2hi6 s TYR 127 Ca 0.00 0.10 0.04 0.00 -1.41 0.00 0.00 57.07 55.80 2hi6 s TYR 127 Cb 0.00 0.54 0.00 0.00 -1.10 0.00 0.00 41.96 41.41 2hi6 s TYR 127 CO 0.00 -0.45 -0.18 0.14 -2.51 0.00 0.00 175.55 172.55 2hi6 s VAL 128 N -2.87 1.57 -0.28 -3.49 -7.23 -0.82 -1.31 120.40 105.98 2hi6 s VAL 128 Ca 0.08 -0.76 -0.08 0.00 -1.81 0.00 0.00 61.98 59.41 2hi6 s VAL 128 Cb -0.01 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.55 2hi6 s VAL 128 CO -0.06 0.45 0.11 -0.70 -0.31 0.00 0.00 175.10 174.59 2hi6 s GLU 129 N 0.30 3.49 -0.20 4.82 2.56 0.52 -2.26 118.70 127.94 2hi6 s GLU 129 Ca -0.12 -0.60 -0.16 0.00 0.00 0.00 0.00 54.97 54.09 2hi6 s GLU 129 Cb -0.15 -3.44 -0.04 0.00 2.00 0.00 0.00 34.13 32.51 2hi6 s GLU 129 CO 0.05 -0.30 0.40 -1.17 -0.56 0.00 0.00 175.26 173.68 2hi6 s LEU 130 N 1.61 4.16 -0.33 2.70 2.96 -1.24 -0.17 118.68 128.37 2hi6 s LEU 130 Ca 0.05 0.53 -0.07 0.00 -0.22 0.00 0.00 54.13 54.42 2hi6 s LEU 130 Cb -0.16 -2.52 0.03 0.00 0.50 0.00 0.00 46.19 44.03 2hi6 s LEU 130 CO 0.05 -0.08 0.12 -0.63 -1.32 0.00 0.00 176.35 174.49 2hi6 s ILE 131 N 1.30 4.00 -2.18 6.68 -1.09 -0.43 -4.58 121.20 124.89 2hi6 s ILE 131 Ca 0.19 -0.95 0.31 0.00 -2.23 0.00 0.00 60.65 57.97 2hi6 s ILE 131 Cb -0.15 -3.20 0.78 0.00 -1.58 0.00 0.00 42.46 38.31 2hi6 s ILE 131 CO 0.08 -0.11 2.05 -0.62 -1.23 0.00 0.00 174.94 175.11