#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ht2 n LYS 2 N 0.00 0.00 -4.54 4.33 4.81 -1.26 -5.20 118.16 116.30 3ht2 n LYS 2 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 3ht2 n LYS 2 Cb 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 34.88 3ht2 n LYS 2 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3ht2 s ARG 3 N -0.89 1.59 -0.03 1.64 3.00 -1.26 -5.14 118.95 117.85 3ht2 s ARG 3 Ca 0.00 -0.38 -0.01 0.00 -1.00 0.00 0.00 55.73 54.34 3ht2 s ARG 3 Cb 0.00 -1.33 0.02 0.00 0.00 0.00 0.00 34.95 33.64 3ht2 s ARG 3 CO 0.00 0.02 0.07 0.54 0.00 0.00 0.00 175.30 175.93 3ht2 s VAL 4 N 0.67 -0.04 0.33 7.11 0.11 -1.26 -5.14 120.40 122.18 3ht2 s VAL 4 Ca -0.14 0.13 -0.26 0.00 -2.93 0.00 0.00 61.98 58.78 3ht2 s VAL 4 Cb -0.15 -0.13 -0.10 0.00 -1.53 0.00 0.00 36.38 34.47 3ht2 s VAL 4 CO 0.03 0.05 0.99 -2.28 -3.33 0.00 0.00 175.10 170.57 3ht2 s HIS 5 N 0.75 3.60 0.29 1.54 2.46 -1.26 -4.95 115.29 117.71 3ht2 s HIS 5 Ca -0.06 1.75 0.03 0.00 0.47 0.00 0.00 55.06 57.25 3ht2 s HIS 5 Cb -0.08 -3.02 0.63 0.00 -0.13 0.00 0.00 32.58 29.97 3ht2 s HIS 5 CO -0.03 -0.07 1.79 0.07 -2.47 0.00 0.00 174.74 174.04 3ht2 h ARG 6 N 3.15 0.77 0.00 2.88 0.11 -2.01 -1.31 114.38 117.98 3ht2 h ARG 6 Ca -0.47 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.56 3ht2 h ARG 6 Cb 1.20 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 32.11 3ht2 h ARG 6 CO 0.65 0.51 0.00 0.25 0.10 0.00 0.00 179.97 181.48 3ht2 n THR 7 N -4.75 0.97 1.40 0.08 -2.24 -1.26 -1.54 114.28 106.94 3ht2 n THR 7 Ca 0.20 0.27 0.14 0.00 -2.27 0.00 0.00 64.05 62.39 3ht2 n THR 7 Cb 0.47 -1.12 0.44 0.00 -2.10 0.00 0.00 70.33 68.02 3ht2 n THR 7 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ht2 n ASP 8 N -1.85 1.62 -4.40 3.42 8.00 -0.49 -4.74 116.55 118.12 3ht2 n ASP 8 Ca 0.03 -1.48 -0.39 0.00 0.71 0.00 0.00 54.79 53.66 3ht2 n ASP 8 Cb 0.18 0.03 -0.12 0.00 -0.02 0.00 0.00 41.12 41.19 3ht2 n ASP 8 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ht2 s VAL 9 N -2.08 4.41 0.05 2.53 1.01 -0.59 -5.02 120.40 120.72 3ht2 s VAL 9 Ca 0.35 -0.61 -0.34 0.00 0.00 0.00 0.00 61.98 61.38 3ht2 s VAL 9 Cb 0.21 -3.31 -0.13 0.00 0.00 0.00 0.00 36.38 33.15 3ht2 s VAL 9 CO 0.36 -0.00 1.71 1.17 0.00 0.00 0.00 175.10 178.34 3ht2 n LYS 10 N 4.95 2.17 -2.36 2.72 4.81 -1.26 -4.88 118.16 124.31 3ht2 n LYS 10 Ca -0.13 0.79 -0.42 0.00 -0.87 0.00 0.00 58.31 57.68 3ht2 n LYS 10 Cb 0.48 -2.59 -0.03 0.00 0.02 0.00 0.00 35.03 32.90 3ht2 n LYS 10 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ht2 s ALA 11 N 2.29 3.44 0.09 3.14 0.00 -1.26 -4.67 121.76 124.78 3ht2 s ALA 11 Ca 0.85 0.92 0.08 0.00 0.00 0.00 0.00 51.96 53.81 3ht2 s ALA 11 Cb -0.68 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 18.95 3ht2 s ALA 11 CO 0.44 -0.46 -0.21 -1.21 0.00 0.00 0.00 175.76 174.32 3ht2 s GLU 12 N 0.82 1.23 0.42 0.00 0.41 -0.57 -4.92 118.70 116.09 3ht2 s GLU 12 Ca 0.59 -1.11 -0.26 0.00 -0.41 0.00 0.00 54.97 53.77 3ht2 s GLU 12 Cb -0.32 -1.47 -0.09 0.00 -1.78 0.00 0.00 34.13 30.47 3ht2 s GLU 12 CO 0.31 0.35 1.45 0.42 -0.49 0.00 0.00 175.26 177.30 3ht2 s ILE 13 N -1.05 2.05 0.56 -1.63 1.01 -1.26 -0.36 121.20 120.53 3ht2 s ILE 13 Ca 0.07 0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.59 3ht2 s ILE 13 Cb -0.10 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 3ht2 s ILE 13 CO 0.04 0.01 1.11 0.68 0.00 0.00 0.00 174.94 176.78 3ht2 s VAL 14 N -1.17 3.30 -0.37 2.92 -7.23 -0.71 -4.79 120.40 112.34 3ht2 s VAL 14 Ca 0.58 0.76 0.23 0.00 -1.81 0.00 0.00 61.98 61.74 3ht2 s VAL 14 Cb -0.45 -3.28 0.22 0.00 0.56 0.00 0.00 36.38 33.43 3ht2 s VAL 14 CO 0.59 -0.22 1.42 0.03 -0.31 0.00 0.00 175.10 176.60 3ht2 h ARG 15 N 0.99 0.00 -6.35 4.82 3.08 -1.93 -3.47 114.38 111.53 3ht2 h ARG 15 Ca -0.49 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 58.97 3ht2 h ARG 15 Cb 1.25 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.33 3ht2 h ARG 15 CO 0.57 0.00 1.09 -1.91 -1.07 0.00 0.00 179.97 178.65 3ht2 n GLU 16 N -2.95 2.38 -1.73 0.04 2.13 -1.26 -4.86 120.64 114.39 3ht2 n GLU 16 Ca 0.03 0.87 -0.42 0.00 0.66 0.00 0.00 57.16 58.30 3ht2 n GLU 16 Cb 0.54 -2.74 -0.01 0.00 0.27 0.00 0.00 31.44 29.50 3ht2 n GLU 16 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3ht2 n PRO 17 N 6.32 2.46 -0.88 5.31 -0.02 -1.26 -2.28 135.00 144.65 3ht2 n PRO 17 Ca 0.21 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 3ht2 n PRO 17 Cb 0.33 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 3ht2 n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ht2 n GLY 18 N 1.46 0.89 3.78 -1.23 0.00 -1.26 -4.72 105.19 104.11 3ht2 n GLY 18 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3ht2 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ht2 s ALA 19 N -3.54 3.02 -0.03 4.61 0.00 -0.96 -4.50 121.76 120.36 3ht2 s ALA 19 Ca 0.00 0.72 0.03 0.00 0.00 0.00 0.00 51.96 52.71 3ht2 s ALA 19 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3ht2 s ALA 19 CO 0.00 -0.31 -0.12 0.15 0.00 0.00 0.00 175.76 175.48 3ht2 s LYS 20 N -2.67 1.25 -1.48 0.00 1.02 -0.13 -4.86 119.74 112.87 3ht2 s LYS 20 Ca 0.61 -0.41 -0.04 0.00 0.02 0.00 0.00 55.97 56.14 3ht2 s LYS 20 Cb -0.22 -1.13 0.02 0.00 -0.52 0.00 0.00 37.83 35.97 3ht2 s LYS 20 CO 0.27 0.16 0.34 0.39 -0.92 0.00 0.00 175.35 175.59 3ht2 n GLU 21 N 3.23 -3.42 -4.04 1.68 -0.58 -1.26 -2.44 120.64 113.81 3ht2 n GLU 21 Ca -0.18 0.80 -0.29 0.00 -0.42 0.00 0.00 57.16 57.07 3ht2 n GLU 21 Cb 0.54 -5.55 -0.17 0.00 -0.57 0.00 0.00 31.44 25.69 3ht2 n GLU 21 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3ht2 s THR 22 N -3.01 1.39 0.33 2.62 2.01 -1.26 -0.06 115.64 117.66 3ht2 s THR 22 Ca 0.20 -0.52 0.10 0.00 0.31 0.00 0.00 61.69 61.77 3ht2 s THR 22 Cb -0.09 -1.32 -0.06 0.00 0.01 0.00 0.00 72.50 71.04 3ht2 s THR 22 CO 0.24 0.43 -0.06 0.42 -0.69 0.00 0.00 174.62 174.96 3ht2 s THR 23 N 1.48 2.49 0.04 -0.82 -4.23 -0.29 -1.74 115.64 112.58 3ht2 s THR 23 Ca 0.03 -2.13 -0.07 0.00 -1.18 0.00 0.00 61.69 58.35 3ht2 s THR 23 Cb -0.13 -2.66 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 3ht2 s THR 23 CO -0.09 -0.24 0.13 -1.38 -0.54 0.00 0.00 174.62 172.50 3ht2 s HIS 24 N -2.54 0.15 -0.18 3.99 -3.43 0.52 -1.22 115.29 112.57 3ht2 s HIS 24 Ca 0.33 -0.42 0.00 0.00 -0.80 0.00 0.00 55.06 54.17 3ht2 s HIS 24 Cb -0.00 -0.10 0.04 0.00 -1.43 0.00 0.00 32.58 31.08 3ht2 s HIS 24 CO 0.18 -0.38 -0.08 1.03 -2.00 0.00 0.00 174.74 173.48 3ht2 s ARG 25 N -2.55 1.80 -0.51 -0.38 0.52 0.57 -1.51 118.95 116.88 3ht2 s ARG 25 Ca -0.05 -0.67 -0.28 0.00 -0.52 0.00 0.00 55.73 54.20 3ht2 s ARG 25 Cb -0.01 -2.20 0.01 0.00 0.52 0.00 0.00 34.95 33.26 3ht2 s ARG 25 CO -0.04 -0.41 1.41 0.15 0.02 0.00 0.00 175.30 176.43 3ht2 s LYS 26 N 1.51 3.39 -0.13 3.54 1.02 -1.26 -1.42 119.74 126.39 3ht2 s LYS 26 Ca 0.00 0.60 -0.17 0.00 0.02 0.00 0.00 55.97 56.42 3ht2 s LYS 26 Cb -0.15 -4.09 -0.26 0.00 -0.52 0.00 0.00 37.83 32.81 3ht2 s LYS 26 CO -0.08 -1.82 0.50 -0.07 -0.92 0.00 0.00 175.35 172.96 3ht2 h LEU 27 N 12.81 0.29 -7.64 3.17 3.38 -1.74 -3.45 115.31 122.12 3ht2 h LEU 27 Ca -0.27 -0.81 -0.47 0.00 0.09 0.00 0.00 57.88 56.42 3ht2 h LEU 27 Cb 1.10 -0.09 -0.37 0.00 0.09 0.00 0.00 40.66 41.39 3ht2 h LEU 27 CO 1.15 1.56 -0.78 -0.63 0.09 0.00 0.00 178.44 179.83 3ht2 s ILE 28 N -2.44 0.70 0.31 1.22 1.01 -0.89 -4.93 121.20 116.18 3ht2 s ILE 28 Ca -0.22 -0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.37 3ht2 s ILE 28 Cb 0.04 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 3ht2 s ILE 28 CO 0.73 0.30 0.22 -0.62 0.00 0.00 0.00 174.94 175.57 3ht2 s ASP 29 N 1.62 1.48 0.40 3.58 2.15 -1.26 -1.36 116.67 123.28 3ht2 s ASP 29 Ca 0.01 -1.66 0.13 0.00 0.43 0.00 0.00 52.55 51.46 3ht2 s ASP 29 Cb -0.13 0.50 0.95 0.00 -0.30 0.00 0.00 42.92 43.93 3ht2 s ASP 29 CO -0.05 -0.98 1.91 0.71 -0.17 0.00 0.00 175.17 176.58 3ht2 h THR 30 N 2.20 0.83 0.00 1.71 1.35 -1.93 -0.66 112.91 116.41 3ht2 h THR 30 Ca -0.29 -0.18 -0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3ht2 h THR 30 Cb 1.24 0.24 -0.00 0.00 -1.73 0.00 0.00 68.15 67.90 3ht2 h THR 30 CO 0.44 0.10 -0.01 -0.65 -0.25 0.00 0.00 175.52 175.14 3ht2 h PRO 31 N 0.54 0.00 -0.01 4.72 0.11 -1.98 -0.68 132.00 134.70 3ht2 h PRO 31 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 3ht2 h PRO 31 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3ht2 h PRO 31 CO -0.15 0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 177.40 3ht2 n ASP 32 N -3.32 0.39 0.00 -2.05 8.00 -0.25 -4.89 116.55 114.43 3ht2 n ASP 32 Ca -0.03 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.31 3ht2 n ASP 32 Cb 0.11 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 3ht2 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ht2 n GLY 33 N 1.03 0.63 3.67 0.44 0.00 -0.26 -4.95 105.19 105.76 3ht2 n GLY 33 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3ht2 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ht2 s ALA 34 N -2.38 3.66 0.00 4.61 0.00 -1.24 -4.88 121.76 121.52 3ht2 s ALA 34 Ca 0.00 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.23 3ht2 s ALA 34 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.34 3ht2 s ALA 34 CO 0.00 -1.36 0.64 -0.40 0.00 0.00 0.00 175.76 174.64 3ht2 n ASP 35 N 6.60 1.10 0.00 0.00 5.75 -1.26 -4.01 116.55 124.74 3ht2 n ASP 35 Ca 0.18 -1.41 0.00 0.00 -0.01 0.00 0.00 54.79 53.55 3ht2 n ASP 35 Cb 0.40 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 3ht2 n ASP 35 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ht2 n ARG 36 N -0.21 0.29 -3.86 0.11 1.74 -1.26 -4.84 116.66 108.63 3ht2 n ARG 36 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 3ht2 n ARG 36 Cb 0.23 -0.74 -0.08 0.00 -1.02 0.00 0.00 32.46 30.85 3ht2 n ARG 36 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3ht2 s PHE 37 N -1.47 0.12 0.18 -1.55 -0.12 -1.26 -1.98 117.98 111.89 3ht2 s PHE 37 Ca 0.00 -0.46 0.03 0.00 -0.05 0.00 0.00 56.93 56.45 3ht2 s PHE 37 Cb 0.00 -0.06 -0.05 0.00 -0.63 0.00 0.00 43.02 42.28 3ht2 s PHE 37 CO 0.00 -0.48 -0.04 0.14 -0.05 0.00 0.00 175.22 174.80 3ht2 s VAL 38 N -3.21 0.94 -0.14 -2.49 -7.23 0.36 -4.85 120.40 103.79 3ht2 s VAL 38 Ca -0.00 -2.02 -0.00 0.00 -1.81 0.00 0.00 61.98 58.15 3ht2 s VAL 38 Cb 0.02 -2.06 0.03 0.00 0.56 0.00 0.00 36.38 34.93 3ht2 s VAL 38 CO -0.07 -0.55 -0.09 -0.22 -0.31 0.00 0.00 175.10 173.86 3ht2 s LEU 39 N -3.20 1.47 -0.04 1.32 2.96 -0.46 -1.94 118.68 118.79 3ht2 s LEU 39 Ca 0.22 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 3ht2 s LEU 39 Cb 0.05 -0.96 -0.00 0.00 0.50 0.00 0.00 46.19 45.78 3ht2 s LEU 39 CO 0.04 -0.12 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.90 3ht2 s THR 40 N 1.62 1.32 -0.17 3.68 2.01 -0.45 -1.86 115.64 121.80 3ht2 s THR 40 Ca 0.04 -0.66 -0.10 0.00 0.31 0.00 0.00 61.69 61.28 3ht2 s THR 40 Cb -0.13 -1.14 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 3ht2 s THR 40 CO -0.09 0.38 0.17 -0.70 -0.69 0.00 0.00 174.62 173.69 3ht2 s GLU 41 N 0.07 3.99 0.12 4.92 2.12 -0.50 0.02 118.70 129.44 3ht2 s GLU 41 Ca -0.04 -0.13 0.09 0.00 0.36 0.00 0.00 54.97 55.25 3ht2 s GLU 41 Cb -0.11 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 3ht2 s GLU 41 CO 0.02 0.43 -0.18 -0.06 -0.54 0.00 0.00 175.26 174.94 3ht2 s PHE 42 N -0.05 2.54 -0.08 5.30 0.08 0.31 -0.32 117.98 125.77 3ht2 s PHE 42 Ca 0.12 -0.26 0.00 0.00 0.12 0.00 0.00 56.93 56.91 3ht2 s PHE 42 Cb -0.12 -1.34 0.02 0.00 -0.57 0.00 0.00 43.02 41.01 3ht2 s PHE 42 CO 0.01 0.40 -0.07 -2.00 -0.10 0.00 0.00 175.22 173.46 3ht2 s GLU 43 N -2.19 1.22 -0.33 0.44 2.12 -0.36 -1.06 118.70 118.54 3ht2 s GLU 43 Ca 0.18 -0.19 -0.11 0.00 0.36 0.00 0.00 54.97 55.22 3ht2 s GLU 43 Cb -0.10 -1.23 -0.00 0.00 0.26 0.00 0.00 34.13 33.05 3ht2 s GLU 43 CO 0.10 -0.15 0.19 0.08 -0.54 0.00 0.00 175.26 174.94 3ht2 s VAL 44 N 1.27 4.79 0.80 3.70 1.01 0.06 -1.14 120.40 130.89 3ht2 s VAL 44 Ca -0.04 -0.45 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 3ht2 s VAL 44 Cb -0.14 -3.49 0.11 0.00 0.00 0.00 0.00 36.38 32.86 3ht2 s VAL 44 CO -0.02 -0.01 1.13 -0.44 0.00 0.00 0.00 175.10 175.76 3ht2 s SER 45 N 1.63 4.26 0.70 3.32 0.01 0.91 -1.07 113.70 123.47 3ht2 s SER 45 Ca 0.05 0.42 -0.16 0.00 1.31 0.00 0.00 55.95 57.56 3ht2 s SER 45 Cb -0.18 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.21 3ht2 s SER 45 CO 0.07 -1.99 1.07 -2.65 0.41 0.00 0.00 173.24 170.16 3ht2 n PRO 46 N -3.23 0.68 -3.52 12.44 -0.02 -1.14 -2.71 135.00 137.50 3ht2 n PRO 46 Ca 0.10 0.29 -0.25 0.00 -2.02 0.00 0.00 63.50 61.63 3ht2 n PRO 46 Cb 0.60 -2.32 0.06 0.00 -0.02 0.00 0.00 33.50 31.83 3ht2 n PRO 46 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ht2 n ASN 47 N -1.78 -6.00 -4.84 2.55 3.02 -0.30 -4.91 115.26 103.01 3ht2 n ASN 47 Ca 0.14 -0.52 -0.21 0.00 -0.03 0.00 0.00 54.58 53.96 3ht2 n ASN 47 Cb 0.49 -4.76 -0.04 0.00 -0.61 0.00 0.00 39.78 34.86 3ht2 n ASN 47 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3ht2 s GLY 48 N -3.16 1.84 -0.15 7.41 0.00 -1.01 -4.78 107.32 107.47 3ht2 s GLY 48 Ca 0.53 -1.70 -0.31 0.00 0.00 0.00 0.00 44.72 43.25 3ht2 s GLY 48 CO 0.66 -1.61 1.07 -1.35 0.00 0.00 0.00 173.10 171.87 3ht2 s SER 49 N -4.00 -0.28 0.07 1.64 1.04 -1.02 -1.37 113.70 109.79 3ht2 s SER 49 Ca 0.41 0.19 0.08 0.00 0.48 0.00 0.00 55.95 57.11 3ht2 s SER 49 Cb -0.05 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 3ht2 s SER 49 CO 0.26 -0.34 -0.20 0.42 0.98 0.00 0.00 173.24 174.36 3ht2 s THR 50 N -1.79 1.64 -0.01 2.02 -4.23 -0.54 -0.96 115.64 111.77 3ht2 s THR 50 Ca 0.03 -1.35 -0.30 0.00 -1.18 0.00 0.00 61.69 58.89 3ht2 s THR 50 Cb -0.01 -1.46 -0.06 0.00 1.34 0.00 0.00 72.50 72.31 3ht2 s THR 50 CO -0.03 0.06 1.64 -2.16 -0.54 0.00 0.00 174.62 173.59 3ht2 s PRO 51 N -1.53 4.19 0.23 3.99 0.04 -1.26 -4.07 135.00 136.59 3ht2 s PRO 51 Ca 0.06 2.22 -0.31 0.00 0.04 0.00 0.00 61.00 63.01 3ht2 s PRO 51 Cb -0.09 -3.85 -0.14 0.00 0.04 0.00 0.00 34.50 30.45 3ht2 s PRO 51 CO 0.03 -0.79 1.28 -2.30 0.04 0.00 0.00 177.00 175.25 3ht2 n PRO 52 N 6.58 1.67 -4.11 0.56 -0.02 -1.26 -4.79 135.00 133.64 3ht2 n PRO 52 Ca 0.17 0.59 -0.12 0.00 -2.02 0.00 0.00 63.50 62.12 3ht2 n PRO 52 Cb 0.42 -2.17 -0.07 0.00 -0.02 0.00 0.00 33.50 31.66 3ht2 n PRO 52 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3ht2 s HIS 53 N -0.25 0.85 0.01 6.00 -3.43 -0.30 -1.57 115.29 116.62 3ht2 s HIS 53 Ca 0.68 -1.12 -0.02 0.00 -0.80 0.00 0.00 55.06 53.81 3ht2 s HIS 53 Cb -0.72 -0.19 -0.01 0.00 -1.43 0.00 0.00 32.58 30.22 3ht2 s HIS 53 CO 0.52 -0.87 0.01 -0.59 -2.00 0.00 0.00 174.74 171.81 3ht2 s PHE 54 N -3.89 0.20 0.14 0.38 -0.12 0.15 -1.49 117.98 113.34 3ht2 s PHE 54 Ca 0.31 -0.41 -0.17 0.00 -0.05 0.00 0.00 56.93 56.61 3ht2 s PHE 54 Cb 0.03 -0.15 0.03 0.00 -0.63 0.00 0.00 43.02 42.30 3ht2 s PHE 54 CO 0.13 -0.20 0.44 -3.38 -0.05 0.00 0.00 175.22 172.15 3ht2 s HIS 55 N -1.37 -0.19 -0.38 3.49 -3.43 -1.26 0.79 115.29 112.94 3ht2 s HIS 55 Ca -0.15 -0.13 -0.04 0.00 -0.80 0.00 0.00 55.06 53.94 3ht2 s HIS 55 Cb -0.09 0.30 0.01 0.00 -1.43 0.00 0.00 32.58 31.37 3ht2 s HIS 55 CO -0.00 -0.76 2.89 0.39 -2.00 0.00 0.00 174.74 175.26 3ht2 n GLU 56 N -0.26 2.33 -3.66 -0.38 -0.58 -1.26 -1.27 120.64 115.55 3ht2 n GLU 56 Ca -0.15 -2.12 -0.07 0.00 -0.42 0.00 0.00 57.16 54.40 3ht2 n GLU 56 Cb 0.64 -2.11 -0.08 0.00 -0.57 0.00 0.00 31.44 29.32 3ht2 n GLU 56 CO 0.00 0.00 0.00 1.67 -0.48 0.00 0.00 177.13 178.32 3ht2 s TRP 57 N -1.30 -0.98 0.60 -0.32 1.48 -1.26 -4.75 118.94 112.41 3ht2 s TRP 57 Ca 0.60 1.89 -0.17 0.00 -1.06 0.00 0.00 56.10 57.35 3ht2 s TRP 57 Cb 0.37 0.54 -0.03 0.00 -1.16 0.00 0.00 33.47 33.19 3ht2 s TRP 57 CO -0.19 -0.51 1.12 -1.83 -4.06 0.00 0.00 176.95 171.49 3ht2 s GLU 58 N 1.96 3.10 -0.12 3.25 1.03 -1.26 -4.54 118.70 122.12 3ht2 s GLU 58 Ca -0.08 1.51 -0.03 0.00 0.03 0.00 0.00 54.97 56.40 3ht2 s GLU 58 Cb -0.08 -1.98 -0.03 0.00 -0.80 0.00 0.00 34.13 31.24 3ht2 s GLU 58 CO -0.17 -1.03 -0.01 -1.01 -1.33 0.00 0.00 175.26 171.71 3ht2 s HIS 59 N -2.03 3.12 -0.16 4.83 3.76 -0.67 -4.63 115.29 119.51 3ht2 s HIS 59 Ca 0.70 0.02 -0.00 0.00 -0.15 0.00 0.00 55.06 55.63 3ht2 s HIS 59 Cb -0.22 -1.87 -0.01 0.00 1.11 0.00 0.00 32.58 31.59 3ht2 s HIS 59 CO 0.34 0.27 -0.14 -1.21 -0.85 0.00 0.00 174.74 173.15 3ht2 s GLU 60 N -0.35 3.27 -0.01 1.40 2.02 -1.13 -1.36 118.70 122.53 3ht2 s GLU 60 Ca 0.07 -0.72 0.05 0.00 0.02 0.00 0.00 54.97 54.38 3ht2 s GLU 60 Cb -0.12 -2.67 -0.01 0.00 0.10 0.00 0.00 34.13 31.43 3ht2 s GLU 60 CO 0.02 0.04 -0.16 0.42 0.02 0.00 0.00 175.26 175.60 3ht2 s ILE 61 N 0.78 1.27 -0.09 -1.63 1.01 -0.21 0.12 121.20 122.45 3ht2 s ILE 61 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.92 3ht2 s ILE 61 Cb -0.15 -1.06 0.02 0.00 0.01 0.00 0.00 42.46 41.28 3ht2 s ILE 61 CO 0.01 0.36 -0.07 -0.47 0.00 0.00 0.00 174.94 174.77 3ht2 s TYR 62 N -0.34 1.24 -0.28 3.97 5.04 -0.40 -0.80 117.35 125.78 3ht2 s TYR 62 Ca 0.05 -0.53 -0.22 0.00 -2.44 0.00 0.00 57.07 53.93 3ht2 s TYR 62 Cb -0.07 -1.06 -0.01 0.00 0.35 0.00 0.00 41.96 41.18 3ht2 s TYR 62 CO -0.00 -0.40 0.73 0.08 -1.34 0.00 0.00 175.55 174.62 3ht2 s VAL 63 N 1.48 4.87 -0.12 3.14 1.01 -0.48 -0.55 120.40 129.76 3ht2 s VAL 63 Ca -0.00 1.20 -0.09 0.00 0.00 0.00 0.00 61.98 63.09 3ht2 s VAL 63 Cb -0.13 -4.06 -0.26 0.00 0.00 0.00 0.00 36.38 31.92 3ht2 s VAL 63 CO -0.05 -0.13 0.39 -0.07 0.00 0.00 0.00 175.10 175.25 3ht2 h LEU 64 N 9.22 0.40 -7.21 3.92 3.38 -1.42 -1.06 115.31 122.54 3ht2 h LEU 64 Ca -0.25 -0.91 -0.09 0.00 0.09 0.00 0.00 57.88 56.72 3ht2 h LEU 64 Cb 1.11 -0.13 -0.22 0.00 0.09 0.00 0.00 40.66 41.51 3ht2 h LEU 64 CO 0.84 1.82 -0.07 -0.70 0.09 0.00 0.00 178.44 180.42 3ht2 s GLU 65 N -2.54 0.70 2.61 1.13 2.56 -0.92 -4.72 118.70 117.52 3ht2 s GLU 65 Ca -0.22 0.52 0.00 0.00 0.00 0.00 0.00 54.97 55.27 3ht2 s GLU 65 Cb 0.06 0.34 0.00 0.00 2.00 0.00 0.00 34.13 36.53 3ht2 s GLU 65 CO 0.76 -0.13 0.00 0.41 -0.56 0.00 0.00 175.26 175.74 3ht2 n GLY 66 N 2.25 -0.39 3.71 -1.50 0.00 -1.26 -1.08 105.19 106.91 3ht2 n GLY 66 Ca -0.16 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 3ht2 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ht2 s SER 67 N -4.00 -0.09 -0.19 1.61 1.04 -0.86 -3.36 113.70 107.86 3ht2 s SER 67 Ca 0.00 -0.86 -0.14 0.00 0.48 0.00 0.00 55.95 55.43 3ht2 s SER 67 Cb 0.00 0.67 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 3ht2 s SER 67 CO 0.00 -1.29 0.33 -0.83 0.98 0.00 0.00 173.24 172.43 3ht2 s GLY 69 N -3.00 2.14 -0.56 7.32 0.00 0.10 -4.03 107.32 109.29 3ht2 s GLY 69 Ca 0.18 -0.53 -0.24 0.00 0.00 0.00 0.00 44.72 44.13 3ht2 s GLY 69 CO 0.09 0.60 0.93 -2.27 0.00 0.00 0.00 173.10 172.45 3ht2 s LEU 70 N 0.90 4.15 -0.03 0.66 2.96 0.31 -1.32 118.68 126.31 3ht2 s LEU 70 Ca 0.17 -0.43 -0.30 0.00 -0.22 0.00 0.00 54.13 53.34 3ht2 s LEU 70 Cb -0.14 -2.77 -0.03 0.00 0.50 0.00 0.00 46.19 43.75 3ht2 s LEU 70 CO 0.06 -1.24 1.14 -0.69 -1.32 0.00 0.00 176.35 174.30 3ht2 s VAL 71 N 3.92 4.36 -0.62 1.68 1.01 0.12 -0.99 120.40 129.88 3ht2 s VAL 71 Ca 0.29 1.68 0.05 0.00 0.00 0.00 0.00 61.98 64.00 3ht2 s VAL 71 Cb -0.13 -4.08 0.17 0.00 0.00 0.00 0.00 36.38 32.33 3ht2 s VAL 71 CO 0.18 0.04 0.44 -0.76 0.00 0.00 0.00 175.10 175.00 3ht2 s LEU 72 N 1.79 3.99 0.27 3.92 1.43 0.64 -1.65 118.68 129.08 3ht2 s LEU 72 Ca 0.55 -3.59 -0.00 0.00 -1.03 0.00 0.00 54.13 50.05 3ht2 s LEU 72 Cb -0.24 -1.36 0.53 0.00 0.03 0.00 0.00 46.19 45.14 3ht2 s LEU 72 CO 0.24 -0.12 1.80 -0.65 0.23 0.00 0.00 176.35 177.85 3ht2 h PRO 73 N 5.57 0.77 0.00 1.29 0.11 -1.77 0.71 132.00 138.68 3ht2 h PRO 73 Ca 0.15 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3ht2 h PRO 73 Cb 0.80 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3ht2 h PRO 73 CO 0.63 0.51 0.00 -0.25 -0.21 0.00 0.00 178.00 178.68 3ht2 n ASP 74 N -4.75 0.01 -0.63 -2.05 8.00 -1.26 -2.35 116.55 113.51 3ht2 n ASP 74 Ca 0.17 0.50 0.06 0.00 0.71 0.00 0.00 54.79 56.24 3ht2 n ASP 74 Cb 0.39 -0.50 0.13 0.00 -0.02 0.00 0.00 41.12 41.11 3ht2 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ht2 n GLN 75 N -1.51 2.17 -2.13 -1.24 6.02 0.18 -5.00 117.38 115.87 3ht2 n GLN 75 Ca 0.04 -1.82 -0.19 0.00 -0.01 0.00 0.00 57.00 55.02 3ht2 n GLN 75 Cb 0.20 -1.28 -0.03 0.00 1.02 0.00 0.00 30.24 30.16 3ht2 n GLN 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ht2 n GLY 76 N 0.64 0.25 3.53 1.08 0.00 -0.79 -4.94 105.19 104.96 3ht2 n GLY 76 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 3ht2 n GLY 76 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ht2 s ARG 77 N -4.57 1.48 -0.08 1.61 1.70 -1.16 -4.66 118.95 113.27 3ht2 s ARG 77 Ca 0.00 -1.28 0.04 0.00 -0.47 0.00 0.00 55.73 54.01 3ht2 s ARG 77 Cb 0.00 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.83 3ht2 s ARG 77 CO 0.00 -0.60 -0.20 0.99 -1.08 0.00 0.00 175.30 174.41 3ht2 s THR 78 N -4.03 1.74 -0.20 4.99 2.01 -1.10 -0.26 115.64 118.79 3ht2 s THR 78 Ca 0.24 -0.84 -0.05 0.00 0.31 0.00 0.00 61.69 61.35 3ht2 s THR 78 Cb 0.00 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 3ht2 s THR 78 CO 0.09 0.49 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.80 3ht2 s GLU 79 N 0.37 3.58 0.11 4.92 2.12 -0.16 -4.91 118.70 124.73 3ht2 s GLU 79 Ca -0.15 -0.54 -0.31 0.00 0.36 0.00 0.00 54.97 54.33 3ht2 s GLU 79 Cb -0.17 -3.07 -0.07 0.00 0.26 0.00 0.00 34.13 31.08 3ht2 s GLU 79 CO 0.07 -0.02 1.25 -2.00 -0.54 0.00 0.00 175.26 174.01 3ht2 s GLU 80 N 1.08 4.42 0.20 4.30 2.12 -1.26 -0.53 118.70 129.03 3ht2 s GLU 80 Ca 0.02 1.88 0.11 0.00 0.36 0.00 0.00 54.97 57.34 3ht2 s GLU 80 Cb -0.14 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 3ht2 s GLU 80 CO 0.01 -0.26 -0.21 0.14 -0.54 0.00 0.00 175.26 174.41 3ht2 s VAL 81 N 0.76 2.53 0.24 3.70 -7.23 -1.26 -4.94 120.40 114.21 3ht2 s VAL 81 Ca 0.58 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.76 3ht2 s VAL 81 Cb -0.32 -2.24 -0.00 0.00 0.56 0.00 0.00 36.38 34.38 3ht2 s VAL 81 CO 0.32 -0.15 0.30 0.61 -0.31 0.00 0.00 175.10 175.87 3ht2 n GLY 82 N 0.12 2.65 3.75 2.32 0.00 -1.26 -4.33 105.19 108.44 3ht2 n GLY 82 Ca -0.11 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 3ht2 n GLY 82 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ht2 s PRO 83 N -2.68 3.20 0.00 1.61 0.02 -1.21 -2.99 135.00 132.94 3ht2 s PRO 83 Ca 0.23 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.32 3ht2 s PRO 83 Cb -0.00 -2.21 0.00 0.00 0.02 0.00 0.00 34.50 32.31 3ht2 s PRO 83 CO 0.16 -1.09 0.00 0.41 -0.33 0.00 0.00 177.00 176.15 3ht2 n GLY 84 N 0.65 0.61 3.68 0.52 0.00 -0.40 -5.00 105.19 105.26 3ht2 n GLY 84 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 3ht2 n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ht2 s GLU 85 N -0.07 4.13 -0.05 1.61 2.02 -1.16 -4.93 118.70 120.25 3ht2 s GLU 85 Ca 0.00 -0.15 -0.16 0.00 0.02 0.00 0.00 54.97 54.67 3ht2 s GLU 85 Cb 0.00 -3.51 -0.05 0.00 0.10 0.00 0.00 34.13 30.67 3ht2 s GLU 85 CO 0.00 0.10 0.44 0.00 0.02 0.00 0.00 175.26 175.82 3ht2 s ALA 86 N 0.93 3.60 -0.06 5.21 0.00 -1.26 -1.39 121.76 128.79 3ht2 s ALA 86 Ca 0.10 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 51.90 3ht2 s ALA 86 Cb -0.13 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.48 3ht2 s ALA 86 CO 0.04 0.27 -0.16 0.42 0.00 0.00 0.00 175.76 176.33 3ht2 s ILE 87 N -0.36 1.39 -0.16 0.00 1.01 0.02 -4.98 121.20 118.12 3ht2 s ILE 87 Ca 0.25 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 60.21 3ht2 s ILE 87 Cb -0.16 -1.22 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 3ht2 s ILE 87 CO 0.12 0.41 -0.08 0.12 0.00 0.00 0.00 174.94 175.51 3ht2 s PHE 88 N 0.32 2.92 -0.28 3.97 5.36 -1.26 -1.04 117.98 127.97 3ht2 s PHE 88 Ca -0.10 -0.63 0.02 0.00 -0.96 0.00 0.00 56.93 55.26 3ht2 s PHE 88 Cb -0.14 -1.96 0.07 0.00 -0.34 0.00 0.00 43.02 40.66 3ht2 s PHE 88 CO 0.04 -0.26 -0.03 0.42 -1.46 0.00 0.00 175.22 173.92 3ht2 s ILE 89 N 0.70 1.93 0.93 3.12 1.01 -0.46 -5.00 121.20 123.41 3ht2 s ILE 89 Ca -0.04 -1.71 -0.11 0.00 0.00 0.00 0.00 60.65 58.80 3ht2 s ILE 89 Cb -0.15 -2.22 0.15 0.00 0.01 0.00 0.00 42.46 40.26 3ht2 s ILE 89 CO 0.02 -0.26 1.12 -2.16 0.00 0.00 0.00 174.94 173.66 3ht2 s PRO 90 N 1.16 0.93 -0.05 2.79 0.04 -1.26 -1.67 135.00 136.94 3ht2 s PRO 90 Ca -0.01 1.35 -0.38 0.00 0.04 0.00 0.00 61.00 62.00 3ht2 s PRO 90 Cb -0.19 -1.73 -0.16 0.00 0.04 0.00 0.00 34.50 32.46 3ht2 s PRO 90 CO -0.08 -2.63 1.51 0.54 0.04 0.00 0.00 177.00 176.39 3ht2 n ARG 91 N -4.21 1.22 0.00 4.56 1.74 -1.26 -2.51 116.66 116.20 3ht2 n ARG 91 Ca 0.10 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.62 3ht2 n ARG 91 Cb 0.53 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 3ht2 n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ht2 n GLY 92 N 3.21 2.59 3.68 -0.13 0.00 -0.40 -4.98 105.19 109.16 3ht2 n GLY 92 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 3ht2 n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ht2 s GLU 93 N -0.74 4.33 0.53 1.61 2.56 -1.04 -4.73 118.70 121.22 3ht2 s GLU 93 Ca 0.00 1.52 -0.21 0.00 0.00 0.00 0.00 54.97 56.28 3ht2 s GLU 93 Cb 0.00 -3.61 -0.05 0.00 2.00 0.00 0.00 34.13 32.46 3ht2 s GLU 93 CO 0.00 -0.51 1.25 -2.14 -0.56 0.00 0.00 175.26 173.30 3ht2 s PRO 94 N 2.65 3.27 -0.17 4.30 0.02 -1.26 -4.69 135.00 139.12 3ht2 s PRO 94 Ca 0.51 1.96 -0.30 0.00 0.02 0.00 0.00 61.00 63.19 3ht2 s PRO 94 Cb -0.20 -2.19 0.13 0.00 0.02 0.00 0.00 34.50 32.26 3ht2 s PRO 94 CO 0.16 -1.00 1.04 -3.38 -0.33 0.00 0.00 177.00 173.48 3ht2 s HIS 95 N -1.47 -0.33 0.27 6.54 -3.43 -0.56 -4.29 115.29 112.02 3ht2 s HIS 95 Ca 0.71 0.57 -0.16 0.00 -0.80 0.00 0.00 55.06 55.38 3ht2 s HIS 95 Cb -0.33 0.45 0.01 0.00 -1.43 0.00 0.00 32.58 31.28 3ht2 s HIS 95 CO 0.39 -0.31 0.60 0.20 -2.00 0.00 0.00 174.74 173.62 3ht2 s GLY 96 N -1.10 0.31 0.14 -1.38 0.00 -0.66 -1.14 107.32 103.50 3ht2 s GLY 96 Ca -0.01 -0.67 0.10 0.00 0.00 0.00 0.00 44.72 44.15 3ht2 s GLY 96 CO 0.01 -0.40 -0.24 -1.36 0.00 0.00 0.00 173.10 171.10 3ht2 s PHE 97 N -3.81 2.17 -0.09 1.90 0.08 -1.26 0.12 117.98 117.09 3ht2 s PHE 97 Ca 0.18 -0.39 -0.22 0.00 0.12 0.00 0.00 56.93 56.62 3ht2 s PHE 97 Cb -0.03 -1.15 0.05 0.00 -0.57 0.00 0.00 43.02 41.32 3ht2 s PHE 97 CO 0.09 0.35 0.52 0.54 -0.10 0.00 0.00 175.22 176.61 3ht2 s VAL 98 N -1.28 0.02 0.02 -0.44 0.11 -0.43 -1.47 120.40 116.92 3ht2 s VAL 98 Ca 0.14 -0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 3ht2 s VAL 98 Cb -0.09 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 3ht2 s VAL 98 CO 0.07 -0.08 -0.05 0.42 -3.33 0.00 0.00 175.10 172.12 3ht2 s THR 99 N -0.71 0.34 0.00 5.04 -4.23 -0.47 0.02 115.64 115.62 3ht2 s THR 99 Ca -0.08 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 3ht2 s THR 99 Cb -0.03 -0.38 0.00 0.00 1.34 0.00 0.00 72.50 73.43 3ht2 s THR 99 CO 0.05 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 3ht2 n GLY 100 N 2.16 0.32 0.26 3.99 0.00 -1.26 -2.40 105.19 108.25 3ht2 n GLY 100 Ca -0.19 -1.87 0.07 0.00 0.00 0.00 0.00 46.02 44.04 3ht2 n GLY 100 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ht2 h PRO 101 N 0.00 0.04 -0.28 1.61 0.11 -1.97 -0.76 132.00 130.75 3ht2 h PRO 101 Ca 0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3ht2 h PRO 101 Cb 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 3ht2 h PRO 101 CO 0.00 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 178.26 3ht2 n GLY 102 N -1.45 4.00 3.04 -0.55 0.00 -1.26 -4.66 105.19 104.31 3ht2 n GLY 102 Ca -0.02 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 3ht2 n GLY 102 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ht2 s GLN 103 N -2.84 2.43 0.06 1.61 0.74 -1.17 -5.02 119.66 115.47 3ht2 s GLN 103 Ca 0.43 -0.64 0.07 0.00 0.05 0.00 0.00 55.36 55.27 3ht2 s GLN 103 Cb 0.35 -2.23 -0.03 0.00 1.10 0.00 0.00 33.01 32.20 3ht2 s GLN 103 CO 0.09 -0.24 -0.19 0.99 -0.55 0.00 0.00 175.29 175.39 3ht2 s THR 104 N 1.44 1.54 -0.04 -0.34 2.01 -1.26 -2.87 115.64 116.11 3ht2 s THR 104 Ca 0.05 -1.27 -0.02 0.00 0.31 0.00 0.00 61.69 60.76 3ht2 s THR 104 Cb -0.13 -1.38 0.03 0.00 0.01 0.00 0.00 72.50 71.04 3ht2 s THR 104 CO -0.11 0.06 0.09 0.00 -0.69 0.00 0.00 174.62 173.97 3ht2 s ARG 106 N 1.04 3.23 -0.03 0.00 3.52 -0.24 -0.76 118.95 125.71 3ht2 s ARG 106 Ca -0.08 -0.75 -0.14 0.00 -0.13 0.00 0.00 55.73 54.63 3ht2 s ARG 106 Cb -0.11 -2.61 0.02 0.00 -1.56 0.00 0.00 34.95 30.69 3ht2 s ARG 106 CO -0.04 0.05 0.31 -0.59 -0.81 0.00 0.00 175.30 174.21 3ht2 s PHE 107 N 0.74 -0.20 0.05 5.12 -0.12 -0.23 -1.07 117.98 122.27 3ht2 s PHE 107 Ca -0.07 0.36 -0.18 0.00 -0.05 0.00 0.00 56.93 56.99 3ht2 s PHE 107 Cb -0.16 0.09 -0.06 0.00 -0.63 0.00 0.00 43.02 42.27 3ht2 s PHE 107 CO 0.01 -0.35 0.52 -0.51 -0.05 0.00 0.00 175.22 174.85 3ht2 s LEU 108 N -1.06 4.51 -0.10 -1.99 1.43 0.29 -0.53 118.68 121.23 3ht2 s LEU 108 Ca -0.11 1.18 0.03 0.00 -1.03 0.00 0.00 54.13 54.20 3ht2 s LEU 108 Cb -0.05 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.37 3ht2 s LEU 108 CO 0.03 0.29 -0.22 -0.69 0.23 0.00 0.00 176.35 176.00 3ht2 s VAL 109 N -1.09 1.90 -0.17 -1.59 1.01 0.10 -1.28 120.40 119.28 3ht2 s VAL 109 Ca 0.28 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 3ht2 s VAL 109 Cb -0.19 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3ht2 s VAL 109 CO 0.17 0.52 0.07 -0.69 0.00 0.00 0.00 175.10 175.18 3ht2 s VAL 110 N 0.49 4.89 0.06 2.92 1.01 0.12 -1.34 120.40 128.54 3ht2 s VAL 110 Ca -0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 3ht2 s VAL 110 Cb -0.17 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3ht2 s VAL 110 CO 0.06 0.49 -0.03 0.00 0.00 0.00 0.00 175.10 175.62 3ht2 s ALA 111 N 0.13 0.55 0.90 5.51 0.00 -0.82 -2.83 121.76 125.20 3ht2 s ALA 111 Ca 0.06 -1.23 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 3ht2 s ALA 111 Cb -0.12 0.30 0.13 0.00 0.00 0.00 0.00 23.12 23.43 3ht2 s ALA 111 CO 0.00 -0.37 1.09 -1.25 0.00 0.00 0.00 175.76 175.23 3ht2 s PRO 112 N -3.92 1.22 0.23 0.00 0.05 -1.26 -0.48 135.00 130.83 3ht2 s PRO 112 Ca 0.08 0.88 -0.01 0.00 0.05 0.00 0.00 61.00 62.00 3ht2 s PRO 112 Cb 0.08 -1.80 0.24 0.00 0.05 0.00 0.00 34.50 33.07 3ht2 s PRO 112 CO -0.09 -2.29 1.61 0.00 0.05 0.00 0.00 177.00 176.29 3ht2 s GLU 114 N -4.31 3.36 -0.47 0.00 0.41 -1.26 -5.01 118.70 111.43 3ht2 s GLU 114 Ca -0.07 -0.35 0.03 0.00 -0.41 0.00 0.00 54.97 54.17 3ht2 s GLU 114 Cb 0.13 -3.91 0.14 0.00 -1.78 0.00 0.00 34.13 28.71 3ht2 s GLU 114 CO 0.82 -0.89 0.28 1.03 -0.49 0.00 0.00 175.26 176.01 3ht2 s ARG 115 N 2.63 1.39 1.04 1.61 0.52 -1.26 -4.92 118.95 119.96 3ht2 s ARG 115 Ca 0.20 -2.18 -0.12 0.00 -0.52 0.00 0.00 55.73 53.12 3ht2 s ARG 115 Cb -0.15 -2.36 0.22 0.00 0.52 0.00 0.00 34.95 33.17 3ht2 s ARG 115 CO 0.17 -1.20 1.07 -1.25 0.02 0.00 0.00 175.30 174.11 3ht2 s PRO 116 N 0.10 0.03 0.42 3.54 0.04 -1.26 -4.91 135.00 132.96 3ht2 s PRO 116 Ca 0.20 1.01 -0.26 0.00 0.04 0.00 0.00 61.00 61.99 3ht2 s PRO 116 Cb -0.19 -1.65 -0.10 0.00 0.04 0.00 0.00 34.50 32.61 3ht2 s PRO 116 CO -0.04 -3.13 1.34 -2.30 0.04 0.00 0.00 177.00 172.91 3ht2 n PRO 117 N -4.53 2.12 -1.87 0.56 -0.02 -1.26 -4.75 135.00 125.26 3ht2 n PRO 117 Ca 0.06 0.75 -0.31 0.00 -2.02 0.00 0.00 63.50 61.98 3ht2 n PRO 117 Cb 0.54 -2.48 0.02 0.00 -0.02 0.00 0.00 33.50 31.56 3ht2 n PRO 117 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3ht2 s VAL 118 N -1.18 4.44 -0.12 -1.45 -7.23 -1.26 -4.71 120.40 108.89 3ht2 s VAL 118 Ca 0.60 0.79 0.02 0.00 -1.81 0.00 0.00 61.98 61.57 3ht2 s VAL 118 Cb -0.49 -3.78 -0.01 0.00 0.56 0.00 0.00 36.38 32.66 3ht2 s VAL 118 CO 0.59 -1.03 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.04 3ht2 s ARG 119 N -5.21 3.25 0.22 4.82 0.52 0.24 -4.94 118.95 117.84 3ht2 s ARG 119 Ca 0.56 -0.76 -0.30 0.00 -0.52 0.00 0.00 55.73 54.71 3ht2 s ARG 119 Cb -0.11 -2.50 -0.08 0.00 0.52 0.00 0.00 34.95 32.77 3ht2 s ARG 119 CO 0.54 0.21 1.11 -0.80 0.02 0.00 0.00 175.30 176.37 3ht2 s ASN 120 N 0.33 7.25 0.12 0.23 0.01 -1.26 0.29 114.94 121.91 3ht2 s ASN 120 Ca -0.14 2.18 -0.14 0.00 -0.71 0.00 0.00 52.86 54.05 3ht2 s ASN 120 Cb -0.17 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.84 3ht2 s ASN 120 CO 0.07 -0.20 1.51 0.58 -1.51 0.00 0.00 177.10 177.55 3ht2 h VAL 121 N 3.46 1.28 -3.62 1.60 2.07 -1.63 -3.41 116.25 116.00 3ht2 h VAL 121 Ca -0.45 -1.21 -0.69 0.00 0.82 0.00 0.00 66.70 65.16 3ht2 h VAL 121 Cb 1.21 1.30 -0.26 0.00 -1.52 0.00 0.00 31.29 32.03 3ht2 h VAL 121 CO 0.70 0.40 -0.56 -0.36 0.02 0.00 0.00 177.57 177.77 3ht2 s PHE 122 N -4.72 3.22 -0.00 1.57 0.08 -1.26 -5.08 117.98 111.79 3ht2 s PHE 122 Ca -0.13 -1.03 -0.21 0.00 0.12 0.00 0.00 56.93 55.68 3ht2 s PHE 122 Cb 0.10 -2.35 -0.05 0.00 -0.57 0.00 0.00 43.02 40.14 3ht2 s PHE 122 CO 0.81 -0.63 0.63 -0.51 -0.10 0.00 0.00 175.22 175.42 3ht2 s LEU 123 N 1.51 4.41 -0.04 -0.37 1.43 -1.26 -4.88 118.68 119.49 3ht2 s LEU 123 Ca 0.02 1.20 -0.29 0.00 -1.03 0.00 0.00 54.13 54.02 3ht2 s LEU 123 Cb -0.19 -2.97 0.11 0.00 0.03 0.00 0.00 46.19 43.17 3ht2 s LEU 123 CO 0.05 0.07 0.92 -0.94 0.23 0.00 0.00 176.35 176.68 3ht2 s SER 124 N -0.09 -0.36 -0.02 2.29 1.04 -1.26 -5.05 113.70 110.25 3ht2 s SER 124 Ca 0.32 0.09 -0.22 0.00 0.48 0.00 0.00 55.95 56.63 3ht2 s SER 124 Cb -0.18 0.36 -0.24 0.00 0.10 0.00 0.00 66.02 66.06 3ht2 s SER 124 CO 0.18 -0.55 1.07 -0.08 0.98 0.00 0.00 173.24 174.83 3ht2 h GLU 125 N 2.12 0.31 -6.49 4.02 4.81 -2.04 -3.40 114.58 113.92 3ht2 h GLU 125 Ca -0.21 -0.34 -0.57 0.00 -0.13 0.00 0.00 59.36 58.11 3ht2 h GLU 125 Cb 1.22 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.65 3ht2 h GLU 125 CO 0.31 1.03 1.03 0.34 -0.73 0.00 0.00 179.01 180.99 3ht2 s ASP 126 N -6.58 6.47 0.11 1.04 -1.08 -1.26 -4.91 116.67 110.46 3ht2 s ASP 126 Ca -0.14 0.93 0.17 0.00 -0.52 0.00 0.00 52.55 52.98 3ht2 s ASP 126 Cb 0.02 -2.54 0.72 0.00 -1.46 0.00 0.00 42.92 39.66 3ht2 s ASP 126 CO 0.79 -1.30 1.52 -0.81 0.52 0.00 0.00 175.17 175.89 3ht2 n PRO 127 N 7.80 0.08 0.00 4.34 -0.04 -1.26 -1.33 135.00 144.59 3ht2 n PRO 127 Ca 0.16 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 64.11 3ht2 n PRO 127 Cb 0.48 -1.66 0.44 0.00 -0.04 0.00 0.00 33.50 32.72 3ht2 n PRO 127 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ht2 n TYR 128 N -1.80 0.00 0.24 0.54 4.01 -1.26 -4.25 117.16 114.64 3ht2 n TYR 128 Ca 0.02 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.90 3ht2 n TYR 128 Cb 0.17 -0.11 0.78 0.00 -0.31 0.00 0.00 39.34 39.86 3ht2 n TYR 128 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3ht2 h GLU 129 N 1.31 0.00 -0.99 -0.72 4.81 -1.61 -2.30 114.58 115.08 3ht2 h GLU 129 Ca 0.00 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.39 3ht2 h GLU 129 Cb 0.48 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.77 3ht2 h GLU 129 CO 0.00 0.00 0.62 0.10 -0.73 0.00 0.00 179.01 179.00 3ht2 h TYR 130 N 0.00 1.05 -0.01 0.92 -0.00 -1.81 -2.28 116.97 114.83 3ht2 h TYR 130 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.80 3ht2 h TYR 130 Cb 0.17 -0.32 -0.00 0.00 0.00 0.00 0.00 36.73 36.58 3ht2 h TYR 130 CO 0.00 0.31 0.01 1.79 -0.00 0.00 0.00 178.16 180.28 3ht2 h THR 131 N 0.82 0.60 -3.67 -0.90 1.35 -1.77 -3.43 112.91 105.92 3ht2 h THR 131 Ca 0.54 0.00 -0.75 0.00 -0.55 0.00 0.00 66.41 65.64 3ht2 h THR 131 Cb 0.76 0.99 -0.30 0.00 -1.73 0.00 0.00 68.15 67.87 3ht2 h THR 131 CO -0.31 0.00 -0.04 0.00 -0.25 0.00 0.00 175.52 174.92 3ht2 s GLN 132 N -4.71 3.29 -0.13 4.72 -2.07 -0.86 -4.78 119.66 115.12 3ht2 s GLN 132 Ca -0.05 -2.63 0.01 0.00 -1.82 0.00 0.00 55.36 50.87 3ht2 s GLN 132 Cb 0.15 -4.17 -0.08 0.00 -1.09 0.00 0.00 33.01 27.82 3ht2 s GLN 132 CO 0.57 -1.25 -0.11 -2.30 -1.32 0.00 0.00 175.29 170.88 3ht2 n PRO 134 N 3.54 0.32 -0.36 9.60 -0.02 -1.26 -4.99 135.00 141.83 3ht2 n PRO 134 Ca 0.14 0.07 0.01 0.00 -2.02 0.00 0.00 63.50 61.69 3ht2 n PRO 134 Cb 0.42 -1.25 0.16 0.00 -0.02 0.00 0.00 33.50 32.81 3ht2 n PRO 134 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3ht2 h GLU 135 N 0.00 1.21 0.05 -0.52 3.07 -1.99 -1.58 114.58 114.81 3ht2 h GLU 135 Ca -0.28 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.51 3ht2 h GLU 135 Cb 1.43 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3ht2 h GLU 135 CO -0.04 0.80 -0.02 -0.92 -1.40 0.00 0.00 179.01 177.42 3ht2 h TYR 136 N 1.24 -0.06 0.00 4.33 3.20 -1.96 -3.28 116.97 120.44 3ht2 h TYR 136 Ca 0.39 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 3ht2 h TYR 136 Cb 0.01 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 3ht2 h TYR 136 CO -0.00 0.57 -0.06 1.79 -1.64 0.00 0.00 178.16 178.82 3ht2 h THR 137 N -0.85 0.77 0.00 1.81 1.35 -1.81 -1.84 112.91 112.34 3ht2 h THR 137 Ca -0.01 -0.23 -0.14 0.00 -0.55 0.00 0.00 66.41 65.48 3ht2 h THR 137 Cb 0.66 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 3ht2 h THR 137 CO 0.01 0.06 -0.69 0.77 -0.25 0.00 0.00 175.52 175.42 3ht2 h SER 138 N 0.00 0.00 -0.80 5.36 4.64 -1.42 -2.79 113.55 118.54 3ht2 h SER 138 Ca -0.00 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.44 3ht2 h SER 138 Cb 0.13 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.13 3ht2 h SER 138 CO 0.01 0.69 0.42 -0.07 -0.87 0.00 0.00 176.83 177.00 3ht2 h LEU 139 N 0.00 0.54 -0.10 5.97 3.38 -1.39 -1.88 115.31 121.82 3ht2 h LEU 139 Ca -0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3ht2 h LEU 139 Cb 1.29 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3ht2 h LEU 139 CO 0.09 0.27 0.00 0.18 0.09 0.00 0.00 178.44 179.07 3ht2 n LEU 140 N -4.84 0.06 0.00 1.67 4.77 -1.06 -2.71 117.00 114.89 3ht2 n LEU 140 Ca 0.15 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 3ht2 n LEU 140 Cb 0.35 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3ht2 n LEU 140 CO 0.23 -0.39 0.00 -0.62 -1.33 0.00 0.00 177.39 175.28