#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ht1 n MET 1 N 0.00 2.21 -5.09 3.17 0.00 -1.26 -4.97 117.12 111.17 3ht1 n MET 1 Ca 0.00 0.80 -0.32 0.00 -0.00 0.00 0.00 57.70 58.17 3ht1 n MET 1 Cb 0.00 -2.57 -0.16 0.00 0.00 0.00 0.00 33.22 30.48 3ht1 n MET 1 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 3ht1 s LYS 2 N 1.01 3.09 -0.11 2.12 2.20 -1.26 -5.12 119.74 121.67 3ht1 s LYS 2 Ca 0.79 -0.82 0.01 0.00 -0.36 0.00 0.00 55.97 55.59 3ht1 s LYS 2 Cb -0.66 -2.38 0.02 0.00 -1.51 0.00 0.00 37.83 33.29 3ht1 s LYS 2 CO 0.38 0.22 -0.13 1.03 -0.36 0.00 0.00 175.35 176.48 3ht1 s ARG 3 N 0.27 2.02 -0.03 4.03 0.52 -1.26 -5.14 118.95 119.36 3ht1 s ARG 3 Ca -0.15 -0.48 -0.04 0.00 -0.52 0.00 0.00 55.73 54.54 3ht1 s ARG 3 Cb -0.17 -1.77 0.01 0.00 0.52 0.00 0.00 34.95 33.54 3ht1 s ARG 3 CO 0.07 -0.10 0.10 0.54 0.02 0.00 0.00 175.30 175.94 3ht1 s VAL 4 N 1.10 0.01 0.30 3.52 0.11 -1.26 -5.14 120.40 119.04 3ht1 s VAL 4 Ca -0.05 -0.10 -0.23 0.00 -2.93 0.00 0.00 61.98 58.67 3ht1 s VAL 4 Cb -0.14 -0.18 -0.09 0.00 -1.53 0.00 0.00 36.38 34.43 3ht1 s VAL 4 CO -0.03 -0.05 0.87 -2.28 -3.33 0.00 0.00 175.10 170.28 3ht1 s HIS 5 N -0.13 3.65 0.39 1.54 2.46 -1.26 -4.96 115.29 116.98 3ht1 s HIS 5 Ca -0.02 1.63 0.14 0.00 0.47 0.00 0.00 55.06 57.28 3ht1 s HIS 5 Cb -0.02 -2.81 0.98 0.00 -0.13 0.00 0.00 32.58 30.61 3ht1 s HIS 5 CO 0.00 0.23 1.84 0.07 -2.47 0.00 0.00 174.74 174.41 3ht1 h ARG 6 N 3.16 0.50 0.00 2.88 0.11 -2.00 0.41 114.38 119.44 3ht1 h ARG 6 Ca -0.47 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.58 3ht1 h ARG 6 Cb 1.19 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.16 3ht1 h ARG 6 CO 0.65 0.33 0.00 0.25 0.10 0.00 0.00 179.97 181.30 3ht1 n THR 7 N -4.57 0.66 0.29 0.08 -2.24 -1.26 -2.10 114.28 105.14 3ht1 n THR 7 Ca 0.20 0.03 0.10 0.00 -2.27 0.00 0.00 64.05 62.11 3ht1 n THR 7 Cb 0.66 -0.86 0.26 0.00 -2.10 0.00 0.00 70.33 68.29 3ht1 n THR 7 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ht1 n ASP 8 N -2.04 3.04 -4.27 3.42 8.00 0.13 -4.76 116.55 120.07 3ht1 n ASP 8 Ca 0.04 -1.97 -0.35 0.00 0.71 0.00 0.00 54.79 53.22 3ht1 n ASP 8 Cb 0.30 -0.34 -0.14 0.00 -0.02 0.00 0.00 41.12 40.93 3ht1 n ASP 8 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ht1 s VAL 9 N -1.33 3.26 0.28 2.53 1.01 -0.89 -4.97 120.40 120.29 3ht1 s VAL 9 Ca 0.38 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 3ht1 s VAL 9 Cb 0.21 -2.59 -0.11 0.00 0.00 0.00 0.00 36.38 33.89 3ht1 s VAL 9 CO 0.28 0.28 1.55 -0.75 0.00 0.00 0.00 175.10 176.46 3ht1 s LYS 10 N 1.42 4.16 -0.19 2.72 2.20 -1.26 -4.88 119.74 123.91 3ht1 s LYS 10 Ca 0.03 2.51 -0.28 0.00 -0.36 0.00 0.00 55.97 57.87 3ht1 s LYS 10 Cb -0.16 -3.04 -0.00 0.00 -1.51 0.00 0.00 37.83 33.12 3ht1 s LYS 10 CO -0.03 -0.58 0.95 0.00 -0.36 0.00 0.00 175.35 175.33 3ht1 s ALA 11 N -0.02 3.58 0.03 3.13 0.00 -1.26 -4.41 121.76 122.81 3ht1 s ALA 11 Ca 0.62 0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.78 3ht1 s ALA 11 Cb -0.46 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.22 3ht1 s ALA 11 CO 0.47 -0.83 -0.14 -1.21 0.00 0.00 0.00 175.76 174.05 3ht1 s GLU 12 N 2.62 2.25 0.32 0.00 0.41 -0.18 -4.89 118.70 119.24 3ht1 s GLU 12 Ca 0.42 -0.89 -0.29 0.00 -0.41 0.00 0.00 54.97 53.80 3ht1 s GLU 12 Cb -0.16 -2.30 -0.11 0.00 -1.78 0.00 0.00 34.13 29.77 3ht1 s GLU 12 CO 0.10 0.56 1.56 -0.89 -0.49 0.00 0.00 175.26 176.11 3ht1 n ILE 13 N 1.54 1.37 -1.44 -1.63 2.08 -1.26 -0.74 119.36 119.29 3ht1 n ILE 13 Ca -0.16 -0.34 -0.33 0.00 0.56 0.00 0.00 62.75 62.48 3ht1 n ILE 13 Cb 0.52 -1.98 0.09 0.00 -0.75 0.00 0.00 39.64 37.52 3ht1 n ILE 13 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 3ht1 s VAL 14 N -0.40 2.59 -0.43 1.39 -7.23 -0.82 -4.83 120.40 110.67 3ht1 s VAL 14 Ca 0.60 0.27 0.23 0.00 -1.81 0.00 0.00 61.98 61.27 3ht1 s VAL 14 Cb -0.49 -2.77 0.08 0.00 0.56 0.00 0.00 36.38 33.77 3ht1 s VAL 14 CO 0.54 -0.18 1.26 0.03 -0.31 0.00 0.00 175.10 176.45 3ht1 h ARG 15 N -0.41 0.00 -6.36 4.82 2.47 -1.93 -3.47 114.38 109.51 3ht1 h ARG 15 Ca -0.47 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 57.68 3ht1 h ARG 15 Cb 1.28 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.62 3ht1 h ARG 15 CO 0.50 0.00 1.13 -1.91 0.56 0.00 0.00 179.97 180.25 3ht1 n GLU 16 N -2.52 2.53 -1.80 0.04 2.13 -1.26 -4.85 120.64 114.91 3ht1 n GLU 16 Ca 0.02 0.92 -0.41 0.00 0.66 0.00 0.00 57.16 58.35 3ht1 n GLU 16 Cb 0.50 -2.81 -0.01 0.00 0.27 0.00 0.00 31.44 29.39 3ht1 n GLU 16 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3ht1 s PRO 17 N 3.81 4.12 0.00 5.31 0.02 -1.26 -2.26 135.00 144.74 3ht1 s PRO 17 Ca 0.89 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.48 3ht1 s PRO 17 Cb -0.56 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 30.96 3ht1 s PRO 17 CO 0.45 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.96 3ht1 n GLY 18 N 1.16 1.33 3.77 0.52 0.00 -1.26 -4.76 105.19 105.95 3ht1 n GLY 18 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3ht1 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ht1 s ALA 19 N -3.37 3.07 -0.05 4.61 0.00 -0.96 -4.52 121.76 120.55 3ht1 s ALA 19 Ca 0.00 0.91 0.04 0.00 0.00 0.00 0.00 51.96 52.91 3ht1 s ALA 19 Cb 0.00 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 3ht1 s ALA 19 CO 0.00 -0.52 -0.19 0.15 0.00 0.00 0.00 175.76 175.20 3ht1 s LYS 20 N -2.49 2.02 -1.55 0.00 1.02 0.14 -4.87 119.74 114.02 3ht1 s LYS 20 Ca 0.60 -0.67 -0.04 0.00 0.02 0.00 0.00 55.97 55.88 3ht1 s LYS 20 Cb -0.28 -1.71 0.01 0.00 -0.52 0.00 0.00 37.83 35.33 3ht1 s LYS 20 CO 0.35 0.24 0.41 0.39 -0.92 0.00 0.00 175.35 175.82 3ht1 n GLU 21 N 3.20 -3.79 -4.65 1.68 -0.58 -1.26 -1.95 120.64 113.29 3ht1 n GLU 21 Ca -0.18 0.87 -0.28 0.00 -0.42 0.00 0.00 57.16 57.15 3ht1 n GLU 21 Cb 0.53 -5.65 -0.17 0.00 -0.57 0.00 0.00 31.44 25.58 3ht1 n GLU 21 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3ht1 s THR 22 N -3.08 1.45 0.33 2.62 2.01 -1.26 -0.79 115.64 116.92 3ht1 s THR 22 Ca 0.22 -0.64 0.07 0.00 0.31 0.00 0.00 61.69 61.64 3ht1 s THR 22 Cb -0.10 -1.31 -0.07 0.00 0.01 0.00 0.00 72.50 71.03 3ht1 s THR 22 CO 0.27 0.43 -0.02 0.42 -0.69 0.00 0.00 174.62 175.03 3ht1 s THR 23 N 0.74 1.73 0.01 -0.82 -4.23 -0.45 -1.95 115.64 110.67 3ht1 s THR 23 Ca -0.12 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.29 3ht1 s THR 23 Cb -0.16 -2.69 -0.01 0.00 1.34 0.00 0.00 72.50 70.98 3ht1 s THR 23 CO 0.03 -0.15 0.01 -1.38 -0.54 0.00 0.00 174.62 172.59 3ht1 s HIS 24 N -2.93 0.15 -0.21 3.99 -3.43 0.08 -1.38 115.29 111.56 3ht1 s HIS 24 Ca 0.33 -0.30 0.01 0.00 -0.80 0.00 0.00 55.06 54.30 3ht1 s HIS 24 Cb 0.06 -0.11 0.04 0.00 -1.43 0.00 0.00 32.58 31.14 3ht1 s HIS 24 CO 0.15 -0.16 -0.13 1.03 -2.00 0.00 0.00 174.74 173.63 3ht1 s ARG 25 N -1.04 2.37 -1.18 -0.38 0.52 0.50 -1.01 118.95 118.72 3ht1 s ARG 25 Ca -0.11 -0.95 -0.19 0.00 -0.52 0.00 0.00 55.73 53.95 3ht1 s ARG 25 Cb -0.07 -2.56 0.07 0.00 0.52 0.00 0.00 34.95 32.91 3ht1 s ARG 25 CO -0.00 -0.39 1.59 0.15 0.02 0.00 0.00 175.30 176.66 3ht1 s LYS 26 N 1.30 3.85 0.06 3.54 1.02 -1.26 -0.90 119.74 127.35 3ht1 s LYS 26 Ca -0.01 -1.75 -0.20 0.00 0.02 0.00 0.00 55.97 54.03 3ht1 s LYS 26 Cb -0.16 -5.41 -0.12 0.00 -0.52 0.00 0.00 37.83 31.62 3ht1 s LYS 26 CO -0.09 -2.18 1.47 -0.07 -0.92 0.00 0.00 175.35 173.56 3ht1 h LEU 27 N 12.31 0.32 -7.70 3.17 3.38 -1.79 -3.41 115.31 121.59 3ht1 h LEU 27 Ca 0.34 -0.34 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3ht1 h LEU 27 Cb 0.92 -0.09 -0.37 0.00 0.09 0.00 0.00 40.66 41.22 3ht1 h LEU 27 CO 1.42 0.58 -0.80 -0.63 0.09 0.00 0.00 178.44 179.10 3ht1 s ILE 28 N -4.86 0.88 0.32 1.22 1.01 -0.85 -4.96 121.20 113.96 3ht1 s ILE 28 Ca -0.14 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.30 3ht1 s ILE 28 Cb 0.06 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 3ht1 s ILE 28 CO 0.73 0.34 0.37 -0.62 0.00 0.00 0.00 174.94 175.76 3ht1 s ASP 29 N 1.58 1.13 0.34 3.58 3.68 -1.26 -1.56 116.67 124.14 3ht1 s ASP 29 Ca 0.02 -1.57 0.03 0.00 2.13 0.00 0.00 52.55 53.16 3ht1 s ASP 29 Cb -0.13 0.60 0.65 0.00 -1.45 0.00 0.00 42.92 42.58 3ht1 s ASP 29 CO -0.06 -1.16 1.95 0.71 0.13 0.00 0.00 175.17 176.73 3ht1 h THR 30 N 2.17 1.05 0.00 1.71 1.35 -1.94 -0.78 112.91 116.47 3ht1 h THR 30 Ca -0.27 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3ht1 h THR 30 Cb 1.24 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 3ht1 h THR 30 CO 0.39 0.16 0.00 -0.65 -0.25 0.00 0.00 175.52 175.17 3ht1 h PRO 31 N 0.88 0.00 0.00 4.72 0.11 -1.98 0.35 132.00 136.08 3ht1 h PRO 31 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3ht1 h PRO 31 Cb 0.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.31 3ht1 h PRO 31 CO -0.11 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.43 3ht1 n ASP 32 N -3.06 0.42 0.00 -2.05 10.43 -0.30 -4.91 116.55 117.08 3ht1 n ASP 32 Ca -0.02 0.55 0.00 0.00 2.57 0.00 0.00 54.79 57.88 3ht1 n ASP 32 Cb 0.11 -0.66 0.00 0.00 1.84 0.00 0.00 41.12 42.41 3ht1 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ht1 n GLY 33 N 1.22 0.80 3.72 0.44 0.00 0.11 -4.95 105.19 106.52 3ht1 n GLY 33 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3ht1 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ht1 s ALA 34 N -2.00 3.63 0.00 4.61 0.00 -1.22 -4.89 121.76 121.89 3ht1 s ALA 34 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.12 3ht1 s ALA 34 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3ht1 s ALA 34 CO 0.00 -0.65 0.24 -0.40 0.00 0.00 0.00 175.76 174.95 3ht1 n ASP 35 N 4.00 0.48 0.00 0.00 5.75 -1.26 -4.08 116.55 121.45 3ht1 n ASP 35 Ca 0.12 -0.92 0.00 0.00 -0.01 0.00 0.00 54.79 53.98 3ht1 n ASP 35 Cb 0.42 0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 3ht1 n ASP 35 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ht1 n ARG 36 N -0.06 0.00 -3.88 0.11 1.74 -1.26 -4.82 116.66 108.48 3ht1 n ARG 36 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 3ht1 n ARG 36 Cb 0.10 -0.89 -0.08 0.00 -1.02 0.00 0.00 32.46 30.57 3ht1 n ARG 36 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3ht1 s PHE 37 N -1.93 0.16 0.18 -1.55 -0.12 -1.26 -1.69 117.98 111.77 3ht1 s PHE 37 Ca 0.00 -0.50 0.03 0.00 -0.05 0.00 0.00 56.93 56.41 3ht1 s PHE 37 Cb 0.00 -0.09 -0.05 0.00 -0.63 0.00 0.00 43.02 42.25 3ht1 s PHE 37 CO 0.00 -0.46 -0.03 0.14 -0.05 0.00 0.00 175.22 174.82 3ht1 s VAL 38 N -3.18 0.91 -0.11 -2.49 -7.23 0.32 -4.83 120.40 103.78 3ht1 s VAL 38 Ca -0.00 -2.01 -0.00 0.00 -1.81 0.00 0.00 61.98 58.15 3ht1 s VAL 38 Cb 0.02 -2.10 0.02 0.00 0.56 0.00 0.00 36.38 34.88 3ht1 s VAL 38 CO -0.07 -0.51 -0.08 -0.22 -0.31 0.00 0.00 175.10 173.90 3ht1 s LEU 39 N -3.21 1.23 -0.01 1.32 2.96 -0.60 -1.87 118.68 118.49 3ht1 s LEU 39 Ca 0.23 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 3ht1 s LEU 39 Cb 0.05 -0.86 -0.01 0.00 0.50 0.00 0.00 46.19 45.87 3ht1 s LEU 39 CO 0.04 -0.11 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.94 3ht1 s THR 40 N 1.66 1.05 -0.25 3.68 2.01 -0.57 -2.00 115.64 121.22 3ht1 s THR 40 Ca 0.04 -0.57 -0.09 0.00 0.31 0.00 0.00 61.69 61.39 3ht1 s THR 40 Cb -0.13 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 3ht1 s THR 40 CO -0.08 0.30 0.12 -0.70 -0.69 0.00 0.00 174.62 173.57 3ht1 s GLU 41 N -0.28 3.84 0.09 4.92 2.12 -0.07 -0.70 118.70 128.61 3ht1 s GLU 41 Ca 0.05 -0.38 0.01 0.00 0.36 0.00 0.00 54.97 55.00 3ht1 s GLU 41 Cb -0.05 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 3ht1 s GLU 41 CO -0.00 -0.12 0.21 -0.06 -0.54 0.00 0.00 175.26 174.75 3ht1 s PHE 42 N 1.51 3.46 -0.04 5.30 0.08 0.54 -0.37 117.98 128.45 3ht1 s PHE 42 Ca 0.06 0.19 -0.02 0.00 0.12 0.00 0.00 56.93 57.28 3ht1 s PHE 42 Cb -0.15 -1.71 0.03 0.00 -0.57 0.00 0.00 43.02 40.62 3ht1 s PHE 42 CO 0.06 0.56 0.07 -2.00 -0.10 0.00 0.00 175.22 173.81 3ht1 s GLU 43 N -2.70 -0.04 -0.29 0.44 2.12 -0.48 -1.15 118.70 116.60 3ht1 s GLU 43 Ca 0.34 0.34 -0.07 0.00 0.36 0.00 0.00 54.97 55.94 3ht1 s GLU 43 Cb -0.12 -0.37 0.00 0.00 0.26 0.00 0.00 34.13 33.90 3ht1 s GLU 43 CO 0.27 -0.26 0.08 0.08 -0.54 0.00 0.00 175.26 174.90 3ht1 s VAL 44 N 1.75 4.06 0.84 3.70 1.01 -0.08 -1.34 120.40 130.33 3ht1 s VAL 44 Ca -0.01 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 3ht1 s VAL 44 Cb -0.12 -3.07 0.14 0.00 0.00 0.00 0.00 36.38 33.33 3ht1 s VAL 44 CO -0.04 0.11 1.18 -0.44 0.00 0.00 0.00 175.10 175.91 3ht1 s SER 45 N 1.53 3.91 0.60 3.32 0.01 0.03 -1.19 113.70 121.90 3ht1 s SER 45 Ca 0.03 0.26 -0.20 0.00 1.31 0.00 0.00 55.95 57.36 3ht1 s SER 45 Cb -0.17 -0.56 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 3ht1 s SER 45 CO 0.03 -2.21 1.31 -2.65 0.41 0.00 0.00 173.24 170.13 3ht1 n PRO 46 N -3.35 1.37 -2.24 12.44 -0.02 -1.00 -2.91 135.00 139.30 3ht1 n PRO 46 Ca 0.13 0.52 -0.16 0.00 -2.02 0.00 0.00 63.50 61.97 3ht1 n PRO 46 Cb 0.60 -2.54 -0.01 0.00 -0.02 0.00 0.00 33.50 31.53 3ht1 n PRO 46 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ht1 n ASN 47 N -1.44 -4.69 -4.94 2.55 3.02 -0.74 -4.91 115.26 104.11 3ht1 n ASN 47 Ca 0.13 0.01 -0.25 0.00 -0.03 0.00 0.00 54.58 54.44 3ht1 n ASN 47 Cb 0.46 -3.80 -0.02 0.00 -0.61 0.00 0.00 39.78 35.81 3ht1 n ASN 47 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3ht1 s GLY 48 N -2.33 1.47 -0.09 7.41 0.00 -1.15 -4.79 107.32 107.84 3ht1 s GLY 48 Ca 0.00 -0.86 -0.31 0.00 0.00 0.00 0.00 44.72 43.55 3ht1 s GLY 48 CO 0.00 -0.79 1.02 -1.35 0.00 0.00 0.00 173.10 171.98 3ht1 s SER 49 N -3.80 -0.28 0.08 1.64 1.04 -0.82 -1.19 113.70 110.37 3ht1 s SER 49 Ca 0.40 0.06 0.08 0.00 0.48 0.00 0.00 55.95 56.97 3ht1 s SER 49 Cb -0.10 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 3ht1 s SER 49 CO 0.34 -0.44 -0.21 0.42 0.98 0.00 0.00 173.24 174.33 3ht1 s THR 50 N -2.56 1.72 0.10 2.02 -4.23 -0.54 -0.68 115.64 111.47 3ht1 s THR 50 Ca 0.06 -1.44 -0.31 0.00 -1.18 0.00 0.00 61.69 58.81 3ht1 s THR 50 Cb -0.01 -1.54 -0.08 0.00 1.34 0.00 0.00 72.50 72.21 3ht1 s THR 50 CO -0.06 0.03 1.48 -2.16 -0.54 0.00 0.00 174.62 173.37 3ht1 s PRO 51 N -1.68 4.27 0.32 3.99 0.04 -1.26 -4.17 135.00 136.51 3ht1 s PRO 51 Ca 0.07 2.17 -0.29 0.00 0.04 0.00 0.00 61.00 62.99 3ht1 s PRO 51 Cb -0.10 -3.33 -0.12 0.00 0.04 0.00 0.00 34.50 31.00 3ht1 s PRO 51 CO 0.04 -0.55 1.52 -2.30 0.04 0.00 0.00 177.00 175.75 3ht1 n PRO 52 N 4.43 2.60 -4.09 0.56 -0.02 -1.26 -4.77 135.00 132.44 3ht1 n PRO 52 Ca 0.13 0.92 -0.15 0.00 -2.02 0.00 0.00 63.50 62.38 3ht1 n PRO 52 Cb 0.41 -2.66 -0.04 0.00 -0.02 0.00 0.00 33.50 31.19 3ht1 n PRO 52 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3ht1 s HIS 53 N -0.47 1.08 0.08 6.00 -3.43 -0.17 -1.26 115.29 117.11 3ht1 s HIS 53 Ca 0.60 -1.30 -0.10 0.00 -0.80 0.00 0.00 55.06 53.45 3ht1 s HIS 53 Cb -0.51 -0.10 0.01 0.00 -1.43 0.00 0.00 32.58 30.55 3ht1 s HIS 53 CO 0.55 -1.13 0.23 -0.59 -2.00 0.00 0.00 174.74 171.80 3ht1 s PHE 54 N -3.07 0.05 0.00 0.38 -0.71 0.04 -1.00 117.98 113.67 3ht1 s PHE 54 Ca 0.31 -0.39 -0.28 0.00 -1.04 0.00 0.00 56.93 55.53 3ht1 s PHE 54 Cb -0.00 0.00 0.09 0.00 -1.21 0.00 0.00 43.02 41.90 3ht1 s PHE 54 CO 0.20 -0.53 0.76 -3.38 -1.34 0.00 0.00 175.22 170.93 3ht1 s HIS 55 N -3.40 -0.51 -0.57 3.49 -3.43 -1.26 -0.86 115.29 108.75 3ht1 s HIS 55 Ca 0.01 0.62 -0.07 0.00 -0.80 0.00 0.00 55.06 54.82 3ht1 s HIS 55 Cb 0.02 0.49 -0.15 0.00 -1.43 0.00 0.00 32.58 31.51 3ht1 s HIS 55 CO -0.09 -0.62 3.26 0.39 -2.00 0.00 0.00 174.74 175.69 3ht1 n GLU 56 N 0.26 2.67 -3.64 -0.38 -0.58 -1.26 -1.21 120.64 116.51 3ht1 n GLU 56 Ca -0.15 -1.65 -0.09 0.00 -0.42 0.00 0.00 57.16 54.85 3ht1 n GLU 56 Cb 0.60 -2.27 -0.07 0.00 -0.57 0.00 0.00 31.44 29.14 3ht1 n GLU 56 CO 0.00 0.00 0.00 1.67 -0.48 0.00 0.00 177.13 178.32 3ht1 s TRP 57 N 0.80 -0.95 0.55 -0.32 1.48 -1.26 -4.74 118.94 114.50 3ht1 s TRP 57 Ca 0.66 2.00 -0.16 0.00 -1.06 0.00 0.00 56.10 57.53 3ht1 s TRP 57 Cb 0.28 0.52 -0.06 0.00 -1.16 0.00 0.00 33.47 33.05 3ht1 s TRP 57 CO -0.05 -0.47 1.03 -1.83 -4.06 0.00 0.00 176.95 171.57 3ht1 s GLU 58 N 1.24 3.59 -0.08 3.25 1.03 -1.26 -4.46 118.70 122.00 3ht1 s GLU 58 Ca -0.07 1.13 0.00 0.00 0.03 0.00 0.00 54.97 56.07 3ht1 s GLU 58 Cb -0.05 -2.07 -0.03 0.00 -0.80 0.00 0.00 34.13 31.18 3ht1 s GLU 58 CO -0.14 -0.59 -0.06 -1.01 -1.33 0.00 0.00 175.26 172.14 3ht1 s HIS 59 N -2.46 2.96 -0.16 4.83 3.76 -0.39 -4.65 115.29 119.17 3ht1 s HIS 59 Ca 0.62 -0.04 0.02 0.00 -0.15 0.00 0.00 55.06 55.51 3ht1 s HIS 59 Cb -0.14 -1.75 0.02 0.00 1.11 0.00 0.00 32.58 31.81 3ht1 s HIS 59 CO 0.33 0.27 -0.20 -1.21 -0.85 0.00 0.00 174.74 173.08 3ht1 s GLU 60 N -0.61 2.92 0.01 1.40 2.02 -1.18 -1.12 118.70 122.15 3ht1 s GLU 60 Ca 0.09 -0.81 0.07 0.00 0.02 0.00 0.00 54.97 54.35 3ht1 s GLU 60 Cb -0.12 -2.46 -0.02 0.00 0.10 0.00 0.00 34.13 31.64 3ht1 s GLU 60 CO 0.02 -0.13 -0.22 0.42 0.02 0.00 0.00 175.26 175.36 3ht1 s ILE 61 N 1.12 1.79 -0.09 -1.63 1.01 0.02 -0.61 121.20 122.81 3ht1 s ILE 61 Ca 0.00 -1.10 -0.00 0.00 0.00 0.00 0.00 60.65 59.55 3ht1 s ILE 61 Cb -0.14 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.84 3ht1 s ILE 61 CO -0.08 0.38 -0.07 -0.47 0.00 0.00 0.00 174.94 174.70 3ht1 s TYR 62 N -0.66 1.29 -0.22 3.97 5.04 -0.55 -1.03 117.35 125.18 3ht1 s TYR 62 Ca 0.09 -0.57 -0.26 0.00 -2.44 0.00 0.00 57.07 53.88 3ht1 s TYR 62 Cb -0.09 -1.09 -0.00 0.00 0.35 0.00 0.00 41.96 41.13 3ht1 s TYR 62 CO 0.00 -0.42 0.90 0.08 -1.34 0.00 0.00 175.55 174.78 3ht1 s VAL 63 N 1.52 4.79 -0.15 3.14 1.01 -0.24 -0.79 120.40 129.68 3ht1 s VAL 63 Ca 0.01 1.74 -0.19 0.00 0.00 0.00 0.00 61.98 63.53 3ht1 s VAL 63 Cb -0.13 -4.19 -0.24 0.00 0.00 0.00 0.00 36.38 31.82 3ht1 s VAL 63 CO -0.05 -0.09 0.43 -0.07 0.00 0.00 0.00 175.10 175.32 3ht1 h LEU 64 N 9.12 0.17 -7.37 3.92 3.38 -1.25 -0.21 115.31 123.07 3ht1 h LEU 64 Ca -0.23 -0.74 -0.11 0.00 0.09 0.00 0.00 57.88 56.89 3ht1 h LEU 64 Cb 1.09 -0.06 -0.21 0.00 0.09 0.00 0.00 40.66 41.57 3ht1 h LEU 64 CO 0.90 1.49 -0.19 -0.70 0.09 0.00 0.00 178.44 180.04 3ht1 s GLU 65 N -2.40 0.67 2.03 1.13 2.56 -0.99 -4.66 118.70 117.04 3ht1 s GLU 65 Ca -0.24 0.12 0.00 0.00 0.00 0.00 0.00 54.97 54.85 3ht1 s GLU 65 Cb 0.04 0.31 0.00 0.00 2.00 0.00 0.00 34.13 36.48 3ht1 s GLU 65 CO 0.68 -0.17 0.00 0.41 -0.56 0.00 0.00 175.26 175.63 3ht1 n GLY 66 N 1.71 -1.05 3.24 -1.50 0.00 -1.26 -1.33 105.19 105.00 3ht1 n GLY 66 Ca -0.19 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 3ht1 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ht1 s SER 67 N -4.00 -0.02 0.26 1.61 1.04 -1.07 -3.43 113.70 108.09 3ht1 s SER 67 Ca 0.00 -0.44 -0.21 0.00 0.48 0.00 0.00 55.95 55.78 3ht1 s SER 67 Cb 0.00 0.36 0.04 0.00 0.10 0.00 0.00 66.02 66.53 3ht1 s SER 67 CO 0.00 -0.70 0.82 0.00 0.98 0.00 0.00 173.24 174.34 3ht1 s MET 68 N -3.37 1.68 -0.14 4.02 0.23 -0.94 -4.05 119.30 116.73 3ht1 s MET 68 Ca 0.01 -0.97 -0.11 0.00 -1.03 0.00 0.00 55.69 53.58 3ht1 s MET 68 Cb 0.02 0.54 -0.05 0.00 -1.53 0.00 0.00 34.83 33.82 3ht1 s MET 68 CO -0.08 -0.77 0.22 0.20 -2.03 0.00 0.00 175.02 172.55 3ht1 s GLY 69 N -2.99 2.18 -0.50 3.16 0.00 0.42 -1.00 107.32 108.59 3ht1 s GLY 69 Ca 0.13 -0.54 -0.18 0.00 0.00 0.00 0.00 44.72 44.13 3ht1 s GLY 69 CO 0.06 0.11 0.58 -2.27 0.00 0.00 0.00 173.10 171.58 3ht1 s LEU 70 N -0.13 5.10 -0.01 0.66 2.96 0.14 -1.38 118.68 126.02 3ht1 s LEU 70 Ca 0.15 -0.99 -0.30 0.00 -0.22 0.00 0.00 54.13 52.77 3ht1 s LEU 70 Cb -0.13 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.14 3ht1 s LEU 70 CO 0.03 -0.84 0.97 -0.69 -1.32 0.00 0.00 176.35 174.51 3ht1 s VAL 71 N 2.42 4.87 -0.59 1.68 1.01 0.71 -0.93 120.40 129.58 3ht1 s VAL 71 Ca 0.13 2.04 0.04 0.00 0.00 0.00 0.00 61.98 64.19 3ht1 s VAL 71 Cb -0.20 -4.31 0.16 0.00 0.00 0.00 0.00 36.38 32.03 3ht1 s VAL 71 CO 0.11 0.16 0.41 -0.76 0.00 0.00 0.00 175.10 175.02 3ht1 s LEU 72 N 1.03 3.59 0.39 3.92 1.43 0.26 -1.61 118.68 127.70 3ht1 s LEU 72 Ca 0.51 -3.47 0.12 0.00 -1.03 0.00 0.00 54.13 50.26 3ht1 s LEU 72 Cb -0.21 -1.22 0.93 0.00 0.03 0.00 0.00 46.19 45.71 3ht1 s LEU 72 CO 0.27 -0.13 1.92 -0.65 0.23 0.00 0.00 176.35 177.99 3ht1 h PRO 73 N 5.65 0.54 0.00 1.29 0.11 -1.77 0.19 132.00 137.99 3ht1 h PRO 73 Ca 0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3ht1 h PRO 73 Cb 0.82 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3ht1 h PRO 73 CO 0.59 0.36 0.00 -0.25 -0.21 0.00 0.00 178.00 178.49 3ht1 n ASP 74 N -4.50 0.00 -0.45 -2.05 8.00 -1.26 -2.45 116.55 113.84 3ht1 n ASP 74 Ca 0.14 0.03 0.04 0.00 0.71 0.00 0.00 54.79 55.71 3ht1 n ASP 74 Cb 0.45 -0.33 0.10 0.00 -0.02 0.00 0.00 41.12 41.32 3ht1 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ht1 n GLN 75 N -1.33 2.50 -1.94 -1.24 6.02 -0.01 -5.00 117.38 116.38 3ht1 n GLN 75 Ca 0.11 -1.77 -0.13 0.00 -0.01 0.00 0.00 57.00 55.20 3ht1 n GLN 75 Cb 0.22 -1.19 -0.03 0.00 1.02 0.00 0.00 30.24 30.27 3ht1 n GLN 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ht1 n GLY 76 N 0.27 0.40 3.63 1.08 0.00 -0.80 -4.94 105.19 104.84 3ht1 n GLY 76 Ca 0.08 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 3ht1 n GLY 76 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ht1 s ARG 77 N -4.10 1.68 -0.07 1.61 1.70 -1.17 -4.68 118.95 113.92 3ht1 s ARG 77 Ca 0.00 -1.29 0.01 0.00 -0.47 0.00 0.00 55.73 53.98 3ht1 s ARG 77 Cb 0.00 0.50 0.02 0.00 -0.57 0.00 0.00 34.95 34.90 3ht1 s ARG 77 CO 0.00 -0.72 -0.07 0.99 -1.08 0.00 0.00 175.30 174.42 3ht1 s THR 78 N -3.75 0.81 -0.15 4.99 2.01 -1.06 -0.57 115.64 117.92 3ht1 s THR 78 Ca 0.21 -0.24 -0.04 0.00 0.31 0.00 0.00 61.69 61.93 3ht1 s THR 78 Cb -0.02 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 3ht1 s THR 78 CO 0.10 0.30 0.00 -0.70 -0.69 0.00 0.00 174.62 173.63 3ht1 s GLU 79 N 1.11 3.61 0.03 4.92 2.12 -0.10 -4.88 118.70 125.52 3ht1 s GLU 79 Ca -0.07 -0.44 -0.30 0.00 0.36 0.00 0.00 54.97 54.52 3ht1 s GLU 79 Cb -0.14 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 3ht1 s GLU 79 CO -0.01 0.36 1.07 -1.21 -0.54 0.00 0.00 175.26 174.93 3ht1 s GLU 80 N 0.07 4.52 0.18 4.30 0.41 -1.26 -0.69 118.70 126.23 3ht1 s GLU 80 Ca 0.02 1.57 0.11 0.00 -0.41 0.00 0.00 54.97 56.26 3ht1 s GLU 80 Cb -0.13 -3.41 -0.04 0.00 -1.78 0.00 0.00 34.13 28.77 3ht1 s GLU 80 CO 0.02 -0.12 -0.24 0.14 -0.49 0.00 0.00 175.26 174.58 3ht1 s VAL 81 N 0.95 2.40 0.15 2.63 -7.23 -0.17 -4.96 120.40 114.17 3ht1 s VAL 81 Ca 0.54 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 3ht1 s VAL 81 Cb -0.25 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.56 3ht1 s VAL 81 CO 0.29 -0.06 0.19 0.61 -0.31 0.00 0.00 175.10 175.81 3ht1 n GLY 82 N 0.41 2.89 3.75 2.32 0.00 -1.26 -2.21 105.19 111.08 3ht1 n GLY 82 Ca -0.14 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 3ht1 n GLY 82 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ht1 n PRO 83 N -0.25 2.27 -0.88 1.61 -0.02 -1.22 -2.60 135.00 133.91 3ht1 n PRO 83 Ca 0.01 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3ht1 n PRO 83 Cb 0.25 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 3ht1 n PRO 83 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ht1 n GLY 84 N 0.62 0.80 3.78 -1.23 0.00 -0.09 -5.00 105.19 104.06 3ht1 n GLY 84 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3ht1 n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ht1 s GLU 85 N -0.12 4.21 -0.15 1.61 2.02 -1.07 -4.90 118.70 120.30 3ht1 s GLU 85 Ca 0.00 0.60 -0.04 0.00 0.02 0.00 0.00 54.97 55.55 3ht1 s GLU 85 Cb 0.00 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.88 3ht1 s GLU 85 CO 0.00 0.45 -0.00 0.00 0.02 0.00 0.00 175.26 175.73 3ht1 s ALA 86 N -0.41 3.17 -0.09 5.21 0.00 -1.26 -1.08 121.76 127.30 3ht1 s ALA 86 Ca 0.28 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.45 3ht1 s ALA 86 Cb -0.17 -1.64 0.02 0.00 0.00 0.00 0.00 23.12 21.32 3ht1 s ALA 86 CO 0.15 0.28 -0.10 0.42 0.00 0.00 0.00 175.76 176.51 3ht1 s ILE 87 N 0.12 1.07 -0.23 0.00 1.01 -0.20 -4.98 121.20 118.00 3ht1 s ILE 87 Ca 0.01 -0.39 -0.06 0.00 0.00 0.00 0.00 60.65 60.21 3ht1 s ILE 87 Cb -0.13 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 3ht1 s ILE 87 CO 0.02 0.36 0.04 0.12 0.00 0.00 0.00 174.94 175.47 3ht1 s PHE 88 N 1.11 3.07 -0.32 3.97 5.36 -1.26 -0.80 117.98 129.11 3ht1 s PHE 88 Ca -0.06 -0.46 -0.01 0.00 -0.96 0.00 0.00 56.93 55.44 3ht1 s PHE 88 Cb -0.14 -2.17 0.06 0.00 -0.34 0.00 0.00 43.02 40.43 3ht1 s PHE 88 CO -0.02 -0.31 0.04 0.42 -1.46 0.00 0.00 175.22 173.89 3ht1 s ILE 89 N 1.33 2.97 0.79 3.12 1.01 -0.27 -5.00 121.20 125.16 3ht1 s ILE 89 Ca 0.05 -1.58 -0.11 0.00 0.00 0.00 0.00 60.65 59.00 3ht1 s ILE 89 Cb -0.15 -2.80 0.07 0.00 0.01 0.00 0.00 42.46 39.59 3ht1 s ILE 89 CO 0.02 -0.25 1.12 -2.84 0.00 0.00 0.00 174.94 172.99 3ht1 s PRO 90 N 1.20 1.99 0.12 2.79 0.02 -1.26 -1.26 135.00 138.59 3ht1 s PRO 90 Ca -0.02 1.35 -0.35 0.00 0.02 0.00 0.00 61.00 62.00 3ht1 s PRO 90 Cb -0.20 -1.85 -0.17 0.00 0.02 0.00 0.00 34.50 32.30 3ht1 s PRO 90 CO -0.02 -1.87 1.23 0.54 -0.33 0.00 0.00 177.00 176.54 3ht1 n ARG 91 N -3.50 1.02 0.00 5.54 1.74 -1.26 -2.26 116.66 117.94 3ht1 n ARG 91 Ca 0.10 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 3ht1 n ARG 91 Cb 0.52 -1.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 3ht1 n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ht1 n GLY 92 N 2.21 2.39 3.68 -0.13 0.00 -0.35 -4.96 105.19 108.04 3ht1 n GLY 92 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3ht1 n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ht1 s GLU 93 N -0.33 4.35 0.41 1.61 2.56 -0.96 -4.70 118.70 121.64 3ht1 s GLU 93 Ca 0.00 1.61 -0.25 0.00 0.00 0.00 0.00 54.97 56.33 3ht1 s GLU 93 Cb 0.00 -3.58 -0.08 0.00 2.00 0.00 0.00 34.13 32.47 3ht1 s GLU 93 CO 0.00 -0.46 1.23 -2.14 -0.56 0.00 0.00 175.26 173.32 3ht1 s PRO 94 N 2.36 3.99 -0.03 4.30 0.02 -1.26 -4.66 135.00 139.72 3ht1 s PRO 94 Ca 0.54 1.97 -0.29 0.00 0.02 0.00 0.00 61.00 63.24 3ht1 s PRO 94 Cb -0.23 -2.69 0.08 0.00 0.02 0.00 0.00 34.50 31.68 3ht1 s PRO 94 CO 0.20 -0.41 0.75 -3.38 -0.33 0.00 0.00 177.00 173.82 3ht1 s HIS 95 N -1.35 -0.56 0.35 6.54 -3.43 -0.17 -4.27 115.29 112.40 3ht1 s HIS 95 Ca 0.57 0.82 -0.09 0.00 -0.80 0.00 0.00 55.06 55.56 3ht1 s HIS 95 Cb -0.34 0.45 0.03 0.00 -1.43 0.00 0.00 32.58 31.29 3ht1 s HIS 95 CO 0.43 -0.59 0.62 0.20 -2.00 0.00 0.00 174.74 173.39 3ht1 s GLY 96 N -1.55 0.89 0.08 -1.38 0.00 -0.63 -1.00 107.32 103.73 3ht1 s GLY 96 Ca -0.06 -1.11 0.07 0.00 0.00 0.00 0.00 44.72 43.62 3ht1 s GLY 96 CO 0.03 -0.65 -0.17 -1.36 0.00 0.00 0.00 173.10 170.95 3ht1 s PHE 97 N -2.82 1.50 -0.07 1.90 0.08 -1.26 -0.21 117.98 117.11 3ht1 s PHE 97 Ca 0.23 -0.42 -0.13 0.00 0.12 0.00 0.00 56.93 56.73 3ht1 s PHE 97 Cb -0.03 -0.85 0.03 0.00 -0.57 0.00 0.00 43.02 41.60 3ht1 s PHE 97 CO 0.15 0.12 0.31 0.54 -0.10 0.00 0.00 175.22 176.24 3ht1 s VAL 98 N -1.12 0.03 0.04 -0.44 0.11 -0.48 -1.47 120.40 117.06 3ht1 s VAL 98 Ca 0.03 -0.22 0.04 0.00 -2.93 0.00 0.00 61.98 58.90 3ht1 s VAL 98 Cb -0.10 -0.52 -0.02 0.00 -1.53 0.00 0.00 36.38 34.21 3ht1 s VAL 98 CO 0.03 -0.12 -0.13 0.42 -3.33 0.00 0.00 175.10 171.97 3ht1 s THR 99 N -0.49 1.01 0.00 5.04 -4.23 -0.33 -0.43 115.64 116.20 3ht1 s THR 99 Ca -0.06 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 3ht1 s THR 99 Cb -0.04 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.87 3ht1 s THR 99 CO 0.02 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 3ht1 n GLY 100 N 1.88 0.46 3.75 3.99 0.00 -1.26 -2.86 105.19 111.15 3ht1 n GLY 100 Ca -0.18 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 3ht1 n GLY 100 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ht1 s PRO 101 N -2.46 2.57 0.00 1.61 0.02 -1.26 -1.80 135.00 133.68 3ht1 s PRO 101 Ca 0.00 1.49 0.00 0.00 0.02 0.00 0.00 61.00 62.51 3ht1 s PRO 101 Cb 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.61 3ht1 s PRO 101 CO 0.00 -1.45 0.00 0.41 -0.33 0.00 0.00 177.00 175.63 3ht1 n GLY 102 N -0.26 2.95 3.55 0.52 0.00 -1.26 -4.88 105.19 105.83 3ht1 n GLY 102 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3ht1 n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ht1 s GLN 103 N -0.10 2.66 -0.01 1.61 -0.21 -1.05 -5.02 119.66 117.54 3ht1 s GLN 103 Ca 0.00 -0.60 -0.05 0.00 0.02 0.00 0.00 55.36 54.73 3ht1 s GLN 103 Cb 0.00 -2.52 -0.00 0.00 1.00 0.00 0.00 33.01 31.49 3ht1 s GLN 103 CO 0.00 0.65 0.09 -0.08 -2.12 0.00 0.00 175.29 173.83 3ht1 s THR 104 N -0.80 0.07 -0.01 -0.19 -1.32 -1.26 -2.36 115.64 109.76 3ht1 s THR 104 Ca 0.12 -0.55 0.00 0.00 -1.21 0.00 0.00 61.69 60.06 3ht1 s THR 104 Cb -0.11 -0.32 0.01 0.00 -1.51 0.00 0.00 72.50 70.57 3ht1 s THR 104 CO 0.02 -0.30 -0.01 0.00 -2.21 0.00 0.00 174.62 172.11 3ht1 s ARG 106 N 0.36 3.24 -0.03 0.00 3.52 -0.44 -0.91 118.95 124.70 3ht1 s ARG 106 Ca -0.03 -0.76 -0.16 0.00 -0.13 0.00 0.00 55.73 54.64 3ht1 s ARG 106 Cb -0.06 -2.50 0.03 0.00 -1.56 0.00 0.00 34.95 30.86 3ht1 s ARG 106 CO -0.01 0.21 0.35 -0.59 -0.81 0.00 0.00 175.30 174.45 3ht1 s PHE 107 N 0.33 -0.24 0.10 5.12 -0.12 -0.30 -0.72 117.98 122.14 3ht1 s PHE 107 Ca -0.14 0.40 -0.18 0.00 -0.05 0.00 0.00 56.93 56.96 3ht1 s PHE 107 Cb -0.17 0.13 -0.07 0.00 -0.63 0.00 0.00 43.02 42.28 3ht1 s PHE 107 CO 0.07 -0.40 0.56 -0.51 -0.05 0.00 0.00 175.22 174.90 3ht1 s LEU 108 N -1.21 4.46 -0.12 -1.99 1.43 0.03 -0.34 118.68 120.95 3ht1 s LEU 108 Ca -0.12 1.20 0.02 0.00 -1.03 0.00 0.00 54.13 54.20 3ht1 s LEU 108 Cb -0.05 -3.02 0.01 0.00 0.03 0.00 0.00 46.19 43.16 3ht1 s LEU 108 CO 0.05 0.22 -0.18 -0.69 0.23 0.00 0.00 176.35 175.97 3ht1 s VAL 109 N -1.23 1.71 -0.14 -1.59 1.01 0.12 -1.49 120.40 118.79 3ht1 s VAL 109 Ca 0.32 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 3ht1 s VAL 109 Cb -0.18 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 3ht1 s VAL 109 CO 0.19 0.48 0.30 -0.69 0.00 0.00 0.00 175.10 175.38 3ht1 s VAL 110 N 0.86 5.29 0.07 2.92 1.01 0.22 -1.52 120.40 129.25 3ht1 s VAL 110 Ca -0.08 0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.49 3ht1 s VAL 110 Cb -0.15 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3ht1 s VAL 110 CO -0.00 0.42 -0.08 0.00 0.00 0.00 0.00 175.10 175.44 3ht1 s ALA 111 N 0.20 0.83 0.77 5.51 0.00 -0.78 -3.08 121.76 125.20 3ht1 s ALA 111 Ca 0.17 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 3ht1 s ALA 111 Cb -0.13 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.11 3ht1 s ALA 111 CO 0.05 -0.08 1.08 -1.25 0.00 0.00 0.00 175.76 175.56 3ht1 s PRO 112 N -2.54 2.28 0.24 0.00 0.04 -1.26 -0.52 135.00 133.25 3ht1 s PRO 112 Ca 0.00 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.06 3ht1 s PRO 112 Cb -0.04 -1.91 0.27 0.00 0.04 0.00 0.00 34.50 32.86 3ht1 s PRO 112 CO -0.01 -1.58 1.62 0.00 0.04 0.00 0.00 177.00 177.07 3ht1 s GLU 114 N -4.26 3.95 -0.39 0.00 0.41 -1.26 -5.00 118.70 112.15 3ht1 s GLU 114 Ca -0.07 0.68 0.01 0.00 -0.41 0.00 0.00 54.97 55.18 3ht1 s GLU 114 Cb 0.13 -3.75 0.14 0.00 -1.78 0.00 0.00 34.13 28.87 3ht1 s GLU 114 CO 0.81 -0.78 0.24 1.03 -0.49 0.00 0.00 175.26 176.07 3ht1 s ARG 115 N 3.20 0.84 1.06 1.61 0.52 -1.26 -4.93 118.95 119.97 3ht1 s ARG 115 Ca 0.36 -1.64 -0.12 0.00 -0.52 0.00 0.00 55.73 53.81 3ht1 s ARG 115 Cb -0.13 -1.66 0.22 0.00 0.52 0.00 0.00 34.95 33.90 3ht1 s ARG 115 CO 0.14 -1.21 1.07 -1.25 0.02 0.00 0.00 175.30 174.07 3ht1 s PRO 116 N 0.71 -0.08 0.51 3.54 0.04 -1.26 -4.89 135.00 133.57 3ht1 s PRO 116 Ca 0.19 1.09 -0.23 0.00 0.04 0.00 0.00 61.00 62.10 3ht1 s PRO 116 Cb -0.20 -1.63 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 3ht1 s PRO 116 CO -0.02 -3.23 1.38 -2.14 0.04 0.00 0.00 177.00 173.03 3ht1 s PRO 117 N -4.56 3.36 0.50 0.56 0.02 -1.26 -4.77 135.00 128.86 3ht1 s PRO 117 Ca 0.67 2.30 -0.18 0.00 0.02 0.00 0.00 61.00 63.81 3ht1 s PRO 117 Cb -0.24 -2.42 -0.08 0.00 0.02 0.00 0.00 34.50 31.79 3ht1 s PRO 117 CO 0.62 -1.03 1.00 0.14 -0.33 0.00 0.00 177.00 177.39 3ht1 s VAL 118 N -1.27 4.22 -0.10 3.83 -7.23 -1.26 -4.67 120.40 113.92 3ht1 s VAL 118 Ca 0.67 1.20 0.02 0.00 -1.81 0.00 0.00 61.98 62.06 3ht1 s VAL 118 Cb -0.42 -3.58 -0.02 0.00 0.56 0.00 0.00 36.38 32.93 3ht1 s VAL 118 CO 0.51 -0.48 -0.16 -0.13 -0.31 0.00 0.00 175.10 174.53 3ht1 s ARG 119 N -3.69 3.02 0.31 4.82 0.52 -0.04 -4.97 118.95 118.91 3ht1 s ARG 119 Ca 0.62 -0.74 -0.26 0.00 -0.52 0.00 0.00 55.73 54.83 3ht1 s ARG 119 Cb -0.12 -2.47 -0.10 0.00 0.52 0.00 0.00 34.95 32.78 3ht1 s ARG 119 CO 0.26 0.34 0.93 -0.80 0.02 0.00 0.00 175.30 176.05 3ht1 s ASN 120 N 0.01 7.36 0.10 0.23 0.01 -1.26 -0.78 114.94 120.61 3ht1 s ASN 120 Ca -0.05 1.83 -0.15 0.00 -0.71 0.00 0.00 52.86 53.77 3ht1 s ASN 120 Cb -0.15 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 38.88 3ht1 s ASN 120 CO 0.04 -0.03 1.48 0.58 -1.51 0.00 0.00 177.10 177.66 3ht1 h VAL 121 N 2.69 1.29 -3.61 1.60 2.07 -1.51 -3.42 116.25 115.35 3ht1 h VAL 121 Ca -0.47 -1.25 -0.67 0.00 0.82 0.00 0.00 66.70 65.14 3ht1 h VAL 121 Cb 1.19 1.42 -0.24 0.00 -1.52 0.00 0.00 31.29 32.14 3ht1 h VAL 121 CO 0.65 0.40 -0.62 -0.36 0.02 0.00 0.00 177.57 177.67 3ht1 s PHE 122 N -4.63 3.12 -0.10 1.57 0.08 -1.26 -5.09 117.98 111.67 3ht1 s PHE 122 Ca -0.13 -0.73 -0.16 0.00 0.12 0.00 0.00 56.93 56.03 3ht1 s PHE 122 Cb 0.09 -2.26 -0.05 0.00 -0.57 0.00 0.00 43.02 40.23 3ht1 s PHE 122 CO 0.81 -0.49 0.41 -0.51 -0.10 0.00 0.00 175.22 175.34 3ht1 s LEU 123 N 1.56 4.31 -0.00 -0.37 1.43 -1.26 -4.93 118.68 119.41 3ht1 s LEU 123 Ca 0.04 0.75 -0.28 0.00 -1.03 0.00 0.00 54.13 53.62 3ht1 s LEU 123 Cb -0.16 -2.57 0.09 0.00 0.03 0.00 0.00 46.19 43.57 3ht1 s LEU 123 CO 0.03 0.10 0.78 -0.94 0.23 0.00 0.00 176.35 176.55 3ht1 s SER 124 N 0.20 -0.50 0.01 2.29 1.04 -1.26 -5.05 113.70 110.43 3ht1 s SER 124 Ca 0.23 0.26 -0.20 0.00 0.48 0.00 0.00 55.95 56.72 3ht1 s SER 124 Cb -0.15 0.47 -0.21 0.00 0.10 0.00 0.00 66.02 66.23 3ht1 s SER 124 CO 0.09 -0.66 1.15 -0.33 0.98 0.00 0.00 173.24 174.48 3ht1 h GLU 125 N 2.36 0.39 -6.34 4.02 5.08 -2.04 -3.41 114.58 114.64 3ht1 h GLU 125 Ca -0.26 -0.35 -0.57 0.00 -1.00 0.00 0.00 59.36 57.18 3ht1 h GLU 125 Cb 1.22 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.50 3ht1 h GLU 125 CO 0.35 1.01 0.91 0.34 -1.00 0.00 0.00 179.01 180.61 3ht1 s ASP 126 N -6.56 6.80 0.00 1.42 -1.08 -1.26 -4.92 116.67 111.07 3ht1 s ASP 126 Ca -0.14 1.12 0.21 0.00 -0.52 0.00 0.00 52.55 53.22 3ht1 s ASP 126 Cb 0.04 -2.54 1.09 0.00 -1.46 0.00 0.00 42.92 40.05 3ht1 s ASP 126 CO 0.80 -0.99 1.67 -0.81 0.52 0.00 0.00 175.17 176.36 3ht1 n PRO 127 N 7.11 0.36 0.00 4.34 -0.04 -1.26 -1.95 135.00 143.56 3ht1 n PRO 127 Ca 0.13 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.79 3ht1 n PRO 127 Cb 0.47 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.60 3ht1 n PRO 127 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ht1 n TYR 128 N -1.24 0.00 0.26 0.54 4.01 -1.26 -4.16 117.16 115.31 3ht1 n TYR 128 Ca 0.11 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.93 3ht1 n TYR 128 Cb 0.15 -0.07 0.63 0.00 -0.31 0.00 0.00 39.34 39.74 3ht1 n TYR 128 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3ht1 h GLU 129 N 1.49 0.00 -0.87 -0.72 4.81 -1.79 -2.12 114.58 115.38 3ht1 h GLU 129 Ca 0.00 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.43 3ht1 h GLU 129 Cb 0.61 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.92 3ht1 h GLU 129 CO 0.00 0.03 0.58 0.10 -0.73 0.00 0.00 179.01 178.99 3ht1 h TYR 130 N 0.00 0.48 0.00 0.92 -0.00 -1.82 0.13 116.97 116.69 3ht1 h TYR 130 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 58.73 58.74 3ht1 h TYR 130 Cb 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 36.73 36.64 3ht1 h TYR 130 CO 0.00 0.14 -0.01 1.79 -0.00 0.00 0.00 178.16 180.08 3ht1 h THR 131 N 0.37 0.03 0.00 -0.90 1.35 -1.74 -2.17 112.91 109.85 3ht1 h THR 131 Ca 0.45 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 3ht1 h THR 131 Cb 1.15 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 3ht1 h THR 131 CO -0.15 0.01 -0.56 1.56 -0.25 0.00 0.00 175.52 176.13 3ht1 h GLN 132 N 0.00 0.00 -6.22 4.72 7.50 -0.92 -3.45 115.11 116.74 3ht1 h GLN 132 Ca -0.00 0.00 -0.55 0.00 0.50 0.00 0.00 58.65 58.60 3ht1 h GLN 132 Cb 0.22 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.71 3ht1 h GLN 132 CO 0.00 0.00 0.30 -1.64 -1.50 0.00 0.00 178.83 175.99 3ht1 s MET 133 N -3.26 4.48 0.47 1.46 -1.94 -0.82 -4.92 119.30 114.77 3ht1 s MET 133 Ca 0.04 1.19 0.21 0.00 -1.71 0.00 0.00 55.69 55.42 3ht1 s MET 133 Cb 0.09 -3.48 1.23 0.00 2.01 0.00 0.00 34.83 34.68 3ht1 s MET 133 CO 0.73 -0.07 1.93 -1.35 -0.01 0.00 0.00 175.02 176.24 3ht1 h PRO 134 N 6.88 0.21 0.00 2.03 0.11 -1.92 0.50 132.00 139.81 3ht1 h PRO 134 Ca -0.39 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.66 3ht1 h PRO 134 Cb 1.19 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3ht1 h PRO 134 CO 0.77 0.14 -0.24 0.93 -0.21 0.00 0.00 178.00 179.40 3ht1 h GLU 135 N 0.22 0.00 0.10 1.05 3.07 -1.93 -0.80 114.58 116.29 3ht1 h GLU 135 Ca 0.36 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 59.02 3ht1 h GLU 135 Cb 1.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 3ht1 h GLU 135 CO -0.08 0.24 -1.00 -0.92 -1.40 0.00 0.00 179.01 175.85 3ht1 h TYR 136 N 0.00 0.38 -0.33 4.33 3.20 -1.21 -3.33 116.97 120.02 3ht1 h TYR 136 Ca -0.00 -0.28 -0.02 0.00 3.14 0.00 0.00 58.73 61.57 3ht1 h TYR 136 Cb 0.71 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 3ht1 h TYR 136 CO 0.00 1.39 0.13 1.79 -1.64 0.00 0.00 178.16 179.83 3ht1 h THR 137 N -0.48 1.13 -0.21 1.81 1.35 -1.11 -0.56 112.91 114.84 3ht1 h THR 137 Ca -0.21 -0.42 0.03 0.00 -0.55 0.00 0.00 66.41 65.25 3ht1 h THR 137 Cb 1.58 0.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.74 3ht1 h THR 137 CO 0.06 0.16 0.14 -1.28 -0.25 0.00 0.00 175.52 174.36 3ht1 h SER 138 N 0.46 0.15 0.47 5.36 0.87 -1.28 -1.01 113.55 118.56 3ht1 h SER 138 Ca 0.12 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 3ht1 h SER 138 Cb 0.11 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3ht1 h SER 138 CO -0.01 0.10 -0.45 -0.07 -0.53 0.00 0.00 176.83 175.87 3ht1 h LEU 139 N 0.17 0.00 -0.59 2.23 3.38 -1.20 -3.04 115.31 116.26 3ht1 h LEU 139 Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3ht1 h LEU 139 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3ht1 h LEU 139 CO -0.01 0.45 -0.40 -0.07 0.09 0.00 0.00 178.44 178.50 3ht1 h LEU 140 N 0.00 0.00 -1.64 1.67 3.38 -1.07 -2.81 115.31 114.85 3ht1 h LEU 140 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ht1 h LEU 140 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3ht1 h LEU 140 CO 0.06 0.40 0.00 -1.84 0.09 0.00 0.00 178.44 177.15