#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 -4.26 4.33 4.81 -1.26 -5.16 118.16 116.63 3ht2 n LYS 2 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 3ht2 n LYS 2 Cb 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 34.89 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 -0.88 1.10 -0.01 1.64 3.00 -1.26 -5.14 118.95 117.39 3ht2 s ARG 3 Ca 0.00 -0.19 -0.01 0.00 -1.00 0.00 0.00 55.73 54.53 3ht2 s ARG 3 Cb 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 34.95 33.92 3ht2 s ARG 3 CO 0.00 -0.07 0.03 0.54 0.00 0.00 0.00 175.30 175.81 3ht2 s VAL 4 N 0.92 -0.01 0.26 7.11 0.11 -1.26 -5.14 120.40 122.38 3ht2 s VAL 4 Ca -0.11 0.03 -0.22 0.00 -2.93 0.00 0.00 61.98 58.75 3ht2 s VAL 4 Cb -0.15 -0.06 -0.09 0.00 -1.53 0.00 0.00 36.38 34.56 3ht2 s VAL 4 CO 0.01 0.01 0.81 -2.28 -3.33 0.00 0.00 175.10 170.31 3ht2 s HIS 5 N 0.15 3.68 0.22 1.54 2.46 -1.26 -4.98 115.29 117.09 3ht2 s HIS 5 Ca -0.01 1.54 -0.10 0.00 0.47 0.00 0.00 55.06 56.97 3ht2 s HIS 5 Cb -0.02 -2.74 0.32 0.00 -0.13 0.00 0.00 32.58 30.02 3ht2 s HIS 5 CO -0.00 0.30 1.68 0.07 -2.47 0.00 0.00 174.74 174.32 3ht2 h ARG 6 N 3.37 0.19 0.00 2.88 0.11 -2.01 0.10 114.38 119.02 3ht2 h ARG 6 Ca -0.47 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.59 3ht2 h ARG 6 Cb 1.19 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.23 3ht2 h ARG 6 CO 0.65 0.13 0.00 0.25 0.10 0.00 0.00 179.97 181.10 3ht2 n THR 7 N -5.20 1.24 0.67 0.08 -2.24 -1.26 -1.25 114.28 106.32 3ht2 n THR 7 Ca 0.10 0.54 0.11 0.00 -2.27 0.00 0.00 64.05 62.53 3ht2 n THR 7 Cb 0.36 -1.50 0.26 0.00 -2.10 0.00 0.00 70.33 67.35 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 -1.99 2.82 -4.42 3.42 8.00 0.02 -4.74 116.55 119.66 3ht2 n ASP 8 Ca 0.00 -1.90 -0.37 0.00 0.71 0.00 0.00 54.79 53.23 3ht2 n ASP 8 Cb 0.07 -0.18 -0.12 0.00 -0.02 0.00 0.00 41.12 40.87 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 -1.63 4.27 0.20 2.53 1.01 -0.38 -4.98 120.40 121.42 3ht2 s VAL 9 Ca 0.36 -0.35 -0.32 0.00 0.00 0.00 0.00 61.98 61.66 3ht2 s VAL 9 Cb 0.21 -3.08 -0.12 0.00 0.00 0.00 0.00 36.38 33.39 3ht2 s VAL 9 CO 0.30 0.22 1.72 1.17 0.00 0.00 0.00 175.10 178.51 3ht2 n LYS 10 N 4.92 2.76 -2.55 2.72 4.81 -1.26 -4.91 118.16 124.65 3ht2 n LYS 10 Ca -0.15 0.99 -0.42 0.00 -0.87 0.00 0.00 58.31 57.86 3ht2 n LYS 10 Cb 0.50 -2.84 -0.03 0.00 0.02 0.00 0.00 35.03 32.68 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 1.22 3.37 0.13 3.14 0.00 -1.26 -4.68 121.76 123.68 3ht2 s ALA 11 Ca 0.75 0.63 0.11 0.00 0.00 0.00 0.00 51.96 53.45 3ht2 s ALA 11 Cb -0.51 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.13 3ht2 s ALA 11 CO 0.33 -0.52 -0.26 -1.21 0.00 0.00 0.00 175.76 174.10 3ht2 s GLU 12 N 1.57 1.37 0.48 0.00 0.41 -0.71 -4.91 118.70 116.90 3ht2 s GLU 12 Ca 0.55 -1.33 -0.24 0.00 -0.41 0.00 0.00 54.97 53.53 3ht2 s GLU 12 Cb -0.24 -1.83 -0.07 0.00 -1.78 0.00 0.00 34.13 30.21 3ht2 s GLU 12 CO 0.25 0.43 1.41 0.42 -0.49 0.00 0.00 175.26 177.27 3ht2 s ILE 13 N -1.11 2.07 0.48 -1.63 1.01 -1.26 -0.47 121.20 120.29 3ht2 s ILE 13 Ca 0.13 0.06 -0.21 0.00 0.00 0.00 0.00 60.65 60.63 3ht2 s ILE 13 Cb -0.10 -3.03 -0.08 0.00 0.01 0.00 0.00 42.46 39.26 3ht2 s ILE 13 CO 0.06 0.01 1.08 0.68 0.00 0.00 0.00 174.94 176.76 3ht2 s VAL 14 N -1.23 3.55 -0.38 2.92 -7.23 -0.59 -4.78 120.40 112.65 3ht2 s VAL 14 Ca 0.64 1.02 0.22 0.00 -1.81 0.00 0.00 61.98 62.05 3ht2 s VAL 14 Cb -0.43 -3.44 0.25 0.00 0.56 0.00 0.00 36.38 33.32 3ht2 s VAL 14 CO 0.54 -0.16 1.48 0.03 -0.31 0.00 0.00 175.10 176.68 3ht2 h ARG 15 N 1.66 0.00 -6.31 4.82 3.08 -1.93 -3.47 114.38 112.24 3ht2 h ARG 15 Ca -0.49 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 58.95 3ht2 h ARG 15 Cb 1.23 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.31 3ht2 h ARG 15 CO 0.59 0.03 1.07 -1.91 -1.07 0.00 0.00 179.97 178.68 3ht2 n GLU 16 N -3.02 2.20 -1.77 0.04 2.13 -1.26 -4.86 120.64 114.10 3ht2 n GLU 16 Ca 0.03 0.80 -0.41 0.00 0.66 0.00 0.00 57.16 58.24 3ht2 n GLU 16 Cb 0.55 -2.64 -0.01 0.00 0.27 0.00 0.00 31.44 29.61 3ht2 n GLU 16 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3ht2 s PRO 17 N 3.70 4.10 0.00 5.31 0.02 -1.26 -2.21 135.00 144.67 3ht2 s PRO 17 Ca 0.91 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.53 3ht2 s PRO 17 Cb -0.68 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 30.85 3ht2 s PRO 17 CO 0.50 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.97 3ht2 n GLY 18 N 1.30 1.31 3.77 0.52 0.00 -1.26 -4.74 105.19 106.08 3ht2 n GLY 18 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.47 3.35 -0.05 4.61 0.00 -0.94 -4.50 121.76 120.76 3ht2 s ALA 19 Ca 0.00 1.04 0.04 0.00 0.00 0.00 0.00 51.96 53.04 3ht2 s ALA 19 Cb 0.00 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.72 3ht2 s ALA 19 CO 0.00 -0.44 -0.18 0.15 0.00 0.00 0.00 175.76 175.28 3ht2 s LYS 20 N -1.86 1.99 -1.52 0.00 1.02 -0.24 -4.86 119.74 114.28 3ht2 s LYS 20 Ca 0.50 -0.65 -0.06 0.00 0.02 0.00 0.00 55.97 55.78 3ht2 s LYS 20 Cb -0.34 -1.68 0.01 0.00 -0.52 0.00 0.00 37.83 35.30 3ht2 s LYS 20 CO 0.44 0.23 0.67 0.39 -0.92 0.00 0.00 175.35 176.17 3ht2 n GLU 21 N 3.23 -5.17 -4.03 1.68 -0.58 -1.26 -2.48 120.64 112.02 3ht2 n GLU 21 Ca -0.19 0.86 -0.28 0.00 -0.42 0.00 0.00 57.16 57.14 3ht2 n GLU 21 Cb 0.53 -5.74 -0.17 0.00 -0.57 0.00 0.00 31.44 25.49 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 -3.18 1.29 0.36 2.62 2.01 -1.26 -0.06 115.64 117.42 3ht2 s THR 22 Ca 0.35 -0.47 0.09 0.00 0.31 0.00 0.00 61.69 61.97 3ht2 s THR 22 Cb -0.16 -1.24 -0.07 0.00 0.01 0.00 0.00 72.50 71.04 3ht2 s THR 22 CO 0.43 0.41 -0.06 0.42 -0.69 0.00 0.00 174.62 175.14 3ht2 s THR 23 N 1.50 2.13 0.06 -0.82 -4.23 -0.60 -1.54 115.64 112.14 3ht2 s THR 23 Ca 0.03 -2.14 -0.11 0.00 -1.18 0.00 0.00 61.69 58.29 3ht2 s THR 23 Cb -0.13 -2.75 0.01 0.00 1.34 0.00 0.00 72.50 70.97 3ht2 s THR 23 CO -0.08 -0.14 0.25 -1.38 -0.54 0.00 0.00 174.62 172.73 3ht2 s HIS 24 N -2.67 0.01 -0.19 3.99 -3.43 0.37 -1.31 115.29 112.06 3ht2 s HIS 24 Ca 0.33 -0.27 -0.00 0.00 -0.80 0.00 0.00 55.06 54.31 3ht2 s HIS 24 Cb 0.05 0.03 0.05 0.00 -1.43 0.00 0.00 32.58 31.28 3ht2 s HIS 24 CO 0.17 -0.52 -0.04 1.03 -2.00 0.00 0.00 174.74 173.38 3ht2 s ARG 25 N -3.09 1.40 -0.60 -0.38 0.52 0.15 -1.73 118.95 115.22 3ht2 s ARG 25 Ca -0.01 -0.67 -0.27 0.00 -0.52 0.00 0.00 55.73 54.26 3ht2 s ARG 25 Cb 0.01 -2.23 -0.01 0.00 0.52 0.00 0.00 34.95 33.24 3ht2 s ARG 25 CO -0.07 -0.52 1.68 0.15 0.02 0.00 0.00 175.30 176.56 3ht2 s LYS 26 N 1.58 2.90 -0.08 3.54 1.02 -1.26 -0.71 119.74 126.73 3ht2 s LYS 26 Ca -0.02 0.52 -0.21 0.00 0.02 0.00 0.00 55.97 56.28 3ht2 s LYS 26 Cb -0.17 -4.29 -0.29 0.00 -0.52 0.00 0.00 37.83 32.56 3ht2 s LYS 26 CO -0.07 -2.42 0.77 -0.07 -0.92 0.00 0.00 175.35 172.64 3ht2 h LEU 27 N 15.04 0.39 -7.63 3.17 3.38 -1.57 -3.44 115.31 124.64 3ht2 h LEU 27 Ca -0.27 -0.92 -0.45 0.00 0.09 0.00 0.00 57.88 56.33 3ht2 h LEU 27 Cb 1.13 -0.13 -0.36 0.00 0.09 0.00 0.00 40.66 41.39 3ht2 h LEU 27 CO 1.20 1.42 -0.78 -0.63 0.09 0.00 0.00 178.44 179.75 3ht2 s ILE 28 N -2.42 0.59 0.28 1.22 1.01 -0.69 -4.94 121.20 116.26 3ht2 s ILE 28 Ca -0.16 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.43 3ht2 s ILE 28 Cb 0.02 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.79 3ht2 s ILE 28 CO 0.79 0.28 0.29 -0.62 0.00 0.00 0.00 174.94 175.67 3ht2 s ASP 29 N 1.53 0.85 0.50 3.58 2.15 -1.26 -1.43 116.67 122.59 3ht2 s ASP 29 Ca -0.01 -1.51 0.20 0.00 0.43 0.00 0.00 52.55 51.67 3ht2 s ASP 29 Cb -0.13 0.52 1.27 0.00 -0.30 0.00 0.00 42.92 44.28 3ht2 s ASP 29 CO -0.04 -1.04 2.03 0.71 -0.17 0.00 0.00 175.17 176.66 3ht2 h THR 30 N 2.31 0.83 0.00 1.71 1.35 -1.93 0.12 112.91 117.30 3ht2 h THR 30 Ca -0.29 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3ht2 h THR 30 Cb 1.24 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 3ht2 h THR 30 CO 0.42 0.02 0.00 -0.65 -0.25 0.00 0.00 175.52 175.06 3ht2 h PRO 31 N 0.11 0.00 -0.02 4.72 0.11 -1.98 -1.48 132.00 133.47 3ht2 h PRO 31 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3ht2 h PRO 31 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 3ht2 h PRO 31 CO -0.02 0.00 -0.01 -0.25 -0.21 0.00 0.00 178.00 177.51 3ht2 n ASP 32 N -2.46 1.59 0.00 -2.05 8.00 0.43 -4.93 116.55 117.13 3ht2 n ASP 32 Ca -0.01 -1.51 0.00 0.00 0.71 0.00 0.00 54.79 53.98 3ht2 n ASP 32 Cb 0.12 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 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 1.20 0.36 3.67 0.44 0.00 -0.56 -4.93 105.19 105.38 3ht2 n GLY 33 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.11 3.66 0.00 4.61 0.00 -1.24 -4.86 121.76 121.82 3ht2 s ALA 34 Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.29 3ht2 s ALA 34 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3ht2 s ALA 34 CO 0.00 -1.40 0.68 -0.40 0.00 0.00 0.00 175.76 174.64 3ht2 n ASP 35 N 6.69 1.14 0.00 0.00 5.75 -1.26 -3.92 116.55 124.94 3ht2 n ASP 35 Ca 0.19 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 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 -0.23 0.00 -4.12 0.11 1.74 -1.26 -4.84 116.66 108.06 3ht2 n ARG 36 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 3ht2 n ARG 36 Cb 0.25 -0.51 -0.10 0.00 -1.02 0.00 0.00 32.46 31.08 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 -1.63 0.65 0.18 -1.55 -0.12 -1.26 -1.89 117.98 112.35 3ht2 s PHE 37 Ca 0.00 -0.99 0.03 0.00 -0.05 0.00 0.00 56.93 55.91 3ht2 s PHE 37 Cb 0.00 -0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 41.91 3ht2 s PHE 37 CO 0.00 -0.29 -0.02 0.14 -0.05 0.00 0.00 175.22 175.01 3ht2 s VAL 38 N -3.72 0.83 -0.11 -2.49 -7.23 0.95 -4.83 120.40 103.80 3ht2 s VAL 38 Ca 0.08 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 3ht2 s VAL 38 Cb 0.06 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.90 3ht2 s VAL 38 CO -0.08 -0.49 -0.10 -0.22 -0.31 0.00 0.00 175.10 173.91 3ht2 s LEU 39 N -3.20 1.35 -0.02 1.32 2.96 -0.51 -2.06 118.68 118.51 3ht2 s LEU 39 Ca 0.24 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 3ht2 s LEU 39 Cb 0.05 -0.90 -0.01 0.00 0.50 0.00 0.00 46.19 45.84 3ht2 s LEU 39 CO 0.04 -0.08 -0.15 -0.89 -1.32 0.00 0.00 176.35 173.95 3ht2 s THR 40 N 1.49 1.25 -0.17 3.68 2.01 -0.80 -1.34 115.64 121.76 3ht2 s THR 40 Ca 0.02 -0.65 -0.09 0.00 0.31 0.00 0.00 61.69 61.28 3ht2 s THR 40 Cb -0.13 -1.06 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 3ht2 s THR 40 CO -0.07 0.36 0.13 -0.70 -0.69 0.00 0.00 174.62 173.65 3ht2 s GLU 41 N -0.18 3.94 0.17 4.92 2.12 0.11 -0.83 118.70 128.96 3ht2 s GLU 41 Ca 0.02 -0.19 0.09 0.00 0.36 0.00 0.00 54.97 55.25 3ht2 s GLU 41 Cb -0.08 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 3ht2 s GLU 41 CO 0.00 0.46 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.99 3ht2 s PHE 42 N -0.10 2.58 -0.04 5.30 0.08 0.06 0.30 117.98 126.16 3ht2 s PHE 42 Ca 0.10 -0.24 -0.01 0.00 0.12 0.00 0.00 56.93 56.90 3ht2 s PHE 42 Cb -0.11 -1.28 0.03 0.00 -0.57 0.00 0.00 43.02 41.09 3ht2 s PHE 42 CO 0.00 0.49 0.03 -2.00 -0.10 0.00 0.00 175.22 173.64 3ht2 s GLU 43 N -2.69 0.09 -0.35 0.44 2.12 -0.43 -1.21 118.70 116.68 3ht2 s GLU 43 Ca 0.23 0.23 -0.10 0.00 0.36 0.00 0.00 54.97 55.68 3ht2 s GLU 43 Cb -0.09 -0.48 0.01 0.00 0.26 0.00 0.00 34.13 33.84 3ht2 s GLU 43 CO 0.14 -0.24 0.18 0.08 -0.54 0.00 0.00 175.26 174.88 3ht2 s VAL 44 N 1.57 4.57 0.90 3.70 1.01 0.22 -1.56 120.40 130.81 3ht2 s VAL 44 Ca -0.02 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 3ht2 s VAL 44 Cb -0.13 -3.46 0.14 0.00 0.00 0.00 0.00 36.38 32.93 3ht2 s VAL 44 CO -0.03 -0.11 1.19 -0.44 0.00 0.00 0.00 175.10 175.71 3ht2 s SER 45 N 1.58 3.64 0.59 3.32 0.01 0.92 -1.19 113.70 122.55 3ht2 s SER 45 Ca 0.03 0.74 -0.19 0.00 1.31 0.00 0.00 55.95 57.84 3ht2 s SER 45 Cb -0.18 -1.17 -0.05 0.00 0.21 0.00 0.00 66.02 64.83 3ht2 s SER 45 CO 0.06 -2.45 1.07 -2.65 0.41 0.00 0.00 173.24 169.68 3ht2 n PRO 46 N -3.66 1.08 -2.72 12.44 -0.02 -1.12 -2.69 135.00 138.30 3ht2 n PRO 46 Ca 0.09 0.41 -0.19 0.00 -2.02 0.00 0.00 63.50 61.79 3ht2 n PRO 46 Cb 0.60 -2.26 0.02 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 -0.85 -5.46 -4.95 2.55 3.02 -0.72 -4.92 115.26 103.93 3ht2 n ASN 47 Ca 0.13 -0.17 -0.21 0.00 -0.03 0.00 0.00 54.58 54.30 3ht2 n ASN 47 Cb 0.46 -4.38 -0.02 0.00 -0.61 0.00 0.00 39.78 35.24 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 -2.55 1.27 -0.02 7.41 0.00 -1.08 -4.79 107.32 107.55 3ht2 s GLY 48 Ca 0.17 -1.27 -0.29 0.00 0.00 0.00 0.00 44.72 43.33 3ht2 s GLY 48 CO 0.21 -1.29 0.87 -1.35 0.00 0.00 0.00 173.10 171.54 3ht2 s SER 49 N -3.98 -0.41 0.11 1.64 1.04 -1.04 -1.09 113.70 109.98 3ht2 s SER 49 Ca 0.35 0.14 0.08 0.00 0.48 0.00 0.00 55.95 56.99 3ht2 s SER 49 Cb -0.09 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 3ht2 s SER 49 CO 0.29 -0.60 -0.20 0.42 0.98 0.00 0.00 173.24 174.13 3ht2 s THR 50 N -2.63 1.66 -0.01 2.02 -4.23 -0.54 -1.08 115.64 110.83 3ht2 s THR 50 Ca 0.02 -1.59 -0.30 0.00 -1.18 0.00 0.00 61.69 58.64 3ht2 s THR 50 Cb -0.01 -1.56 -0.06 0.00 1.34 0.00 0.00 72.50 72.21 3ht2 s THR 50 CO -0.06 -0.13 1.58 -2.16 -0.54 0.00 0.00 174.62 173.31 3ht2 s PRO 51 N -2.06 4.21 0.20 3.99 0.04 -1.26 -4.06 135.00 136.06 3ht2 s PRO 51 Ca 0.07 2.17 -0.32 0.00 0.04 0.00 0.00 61.00 62.95 3ht2 s PRO 51 Cb -0.09 -3.76 -0.14 0.00 0.04 0.00 0.00 34.50 30.55 3ht2 s PRO 51 CO 0.04 -0.74 1.39 -2.30 0.04 0.00 0.00 177.00 175.44 3ht2 n PRO 52 N 6.21 1.84 -4.09 0.56 -0.02 -1.26 -4.76 135.00 133.48 3ht2 n PRO 52 Ca 0.16 0.66 -0.11 0.00 -2.02 0.00 0.00 63.50 62.18 3ht2 n PRO 52 Cb 0.42 -2.31 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 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 0.14 0.78 0.01 6.00 -3.43 -0.11 -1.58 115.29 117.10 3ht2 s HIS 53 Ca 0.72 -1.06 -0.07 0.00 -0.80 0.00 0.00 55.06 53.85 3ht2 s HIS 53 Cb -0.71 -0.13 -0.00 0.00 -1.43 0.00 0.00 32.58 30.31 3ht2 s HIS 53 CO 0.48 -0.90 0.13 -0.59 -2.00 0.00 0.00 174.74 171.86 3ht2 s PHE 54 N -3.88 0.07 0.12 0.38 -0.12 0.11 -0.83 117.98 113.83 3ht2 s PHE 54 Ca 0.30 -0.19 -0.22 0.00 -0.05 0.00 0.00 56.93 56.77 3ht2 s PHE 54 Cb 0.02 -0.06 0.06 0.00 -0.63 0.00 0.00 43.02 42.41 3ht2 s PHE 54 CO 0.12 -0.30 0.54 -3.38 -0.05 0.00 0.00 175.22 172.15 3ht2 s HIS 55 N -1.58 -0.44 -0.36 3.49 -3.43 -1.26 0.04 115.29 111.74 3ht2 s HIS 55 Ca -0.13 0.28 -0.04 0.00 -0.80 0.00 0.00 55.06 54.37 3ht2 s HIS 55 Cb -0.07 0.44 0.02 0.00 -1.43 0.00 0.00 32.58 31.54 3ht2 s HIS 55 CO 0.01 -0.77 2.83 0.39 -2.00 0.00 0.00 174.74 175.20 3ht2 n GLU 56 N -0.15 2.25 -3.67 -0.38 -0.58 -1.26 -1.47 120.64 115.37 3ht2 n GLU 56 Ca -0.17 -2.00 -0.09 0.00 -0.42 0.00 0.00 57.16 54.48 3ht2 n GLU 56 Cb 0.64 -2.05 -0.09 0.00 -0.57 0.00 0.00 31.44 29.36 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 -1.24 -0.80 0.60 -0.32 1.48 -1.26 -4.74 118.94 112.66 3ht2 s TRP 57 Ca 0.57 1.60 -0.17 0.00 -1.06 0.00 0.00 56.10 57.04 3ht2 s TRP 57 Cb 0.35 0.39 -0.03 0.00 -1.16 0.00 0.00 33.47 33.03 3ht2 s TRP 57 CO -0.16 -0.44 1.10 -1.83 -4.06 0.00 0.00 176.95 171.56 3ht2 s GLU 58 N 1.87 3.12 -0.10 3.25 1.03 -1.26 -4.60 118.70 122.02 3ht2 s GLU 58 Ca -0.07 1.42 -0.02 0.00 0.03 0.00 0.00 54.97 56.33 3ht2 s GLU 58 Cb -0.09 -1.99 -0.03 0.00 -0.80 0.00 0.00 34.13 31.22 3ht2 s GLU 58 CO -0.15 -1.00 -0.02 -1.01 -1.33 0.00 0.00 175.26 171.75 3ht2 s HIS 59 N -2.17 3.07 -0.14 4.83 3.76 -0.46 -4.67 115.29 119.52 3ht2 s HIS 59 Ca 0.68 0.04 0.02 0.00 -0.15 0.00 0.00 55.06 55.66 3ht2 s HIS 59 Cb -0.20 -1.81 0.01 0.00 1.11 0.00 0.00 32.58 31.68 3ht2 s HIS 59 CO 0.35 0.32 -0.20 -1.21 -0.85 0.00 0.00 174.74 173.15 3ht2 s GLU 60 N -0.57 3.08 -0.00 1.40 2.02 -1.18 -0.85 118.70 122.60 3ht2 s GLU 60 Ca 0.09 -0.83 0.05 0.00 0.02 0.00 0.00 54.97 54.31 3ht2 s GLU 60 Cb -0.12 -2.47 -0.01 0.00 0.10 0.00 0.00 34.13 31.62 3ht2 s GLU 60 CO 0.02 0.02 -0.17 0.42 0.02 0.00 0.00 175.26 175.57 3ht2 s ILE 61 N 0.75 1.36 -0.08 -1.63 1.01 0.43 -0.09 121.20 122.95 3ht2 s ILE 61 Ca -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.78 3ht2 s ILE 61 Cb -0.16 -1.14 0.02 0.00 0.01 0.00 0.00 42.46 41.19 3ht2 s ILE 61 CO -0.00 0.34 -0.06 -0.47 0.00 0.00 0.00 174.94 174.75 3ht2 s TYR 62 N -0.47 1.13 -0.29 3.97 5.04 -0.35 -0.47 117.35 125.90 3ht2 s TYR 62 Ca 0.06 -0.46 -0.21 0.00 -2.44 0.00 0.00 57.07 54.02 3ht2 s TYR 62 Cb -0.07 -0.99 -0.01 0.00 0.35 0.00 0.00 41.96 41.24 3ht2 s TYR 62 CO -0.00 -0.37 0.66 0.08 -1.34 0.00 0.00 175.55 174.58 3ht2 s VAL 63 N 1.47 4.93 -0.13 3.14 1.01 -0.45 -0.38 120.40 129.98 3ht2 s VAL 63 Ca -0.01 0.99 -0.13 0.00 0.00 0.00 0.00 61.98 62.83 3ht2 s VAL 63 Cb -0.13 -4.01 -0.25 0.00 0.00 0.00 0.00 36.38 31.99 3ht2 s VAL 63 CO -0.04 -0.11 0.42 -0.07 0.00 0.00 0.00 175.10 175.29 3ht2 h LEU 64 N 9.14 0.33 -7.34 3.92 3.38 -1.24 -0.01 115.31 123.49 3ht2 h LEU 64 Ca -0.26 -0.82 -0.10 0.00 0.09 0.00 0.00 57.88 56.78 3ht2 h LEU 64 Cb 1.12 -0.11 -0.21 0.00 0.09 0.00 0.00 40.66 41.55 3ht2 h LEU 64 CO 0.81 1.69 -0.16 -0.70 0.09 0.00 0.00 178.44 180.17 3ht2 s GLU 65 N -2.49 0.71 2.13 1.13 2.56 -0.89 -4.67 118.70 117.19 3ht2 s GLU 65 Ca -0.23 0.13 0.00 0.00 0.00 0.00 0.00 54.97 54.88 3ht2 s GLU 65 Cb 0.06 0.33 0.00 0.00 2.00 0.00 0.00 34.13 36.51 3ht2 s GLU 65 CO 0.73 -0.18 0.00 0.41 -0.56 0.00 0.00 175.26 175.67 3ht2 n GLY 66 N 1.65 -1.04 3.57 -1.50 0.00 -1.26 -0.96 105.19 105.65 3ht2 n GLY 66 Ca -0.19 -1.22 -0.12 0.00 0.00 0.00 0.00 46.02 44.50 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 0.43 -0.21 1.61 1.04 -0.87 -3.30 113.70 108.40 3ht2 s SER 67 Ca 0.00 -1.25 -0.12 0.00 0.48 0.00 0.00 55.95 55.07 3ht2 s SER 67 Cb 0.00 0.66 -0.05 0.00 0.10 0.00 0.00 66.02 66.73 3ht2 s SER 67 CO 0.00 -1.30 0.21 -0.83 0.98 0.00 0.00 173.24 172.30 3ht2 s GLY 69 N -3.14 2.06 -0.61 7.32 0.00 0.87 -4.13 107.32 109.69 3ht2 s GLY 69 Ca 0.26 -0.70 -0.22 0.00 0.00 0.00 0.00 44.72 44.06 3ht2 s GLY 69 CO 0.15 0.38 0.87 -2.27 0.00 0.00 0.00 173.10 172.23 3ht2 s LEU 70 N 0.77 4.60 -0.02 0.66 2.96 0.23 -1.60 118.68 126.28 3ht2 s LEU 70 Ca 0.11 -0.97 -0.30 0.00 -0.22 0.00 0.00 54.13 52.75 3ht2 s LEU 70 Cb -0.13 -2.46 -0.05 0.00 0.50 0.00 0.00 46.19 44.05 3ht2 s LEU 70 CO 0.03 -1.28 1.36 -0.69 -1.32 0.00 0.00 176.35 174.44 3ht2 s VAL 71 N 3.61 3.85 -0.58 1.68 1.01 0.24 -0.99 120.40 129.23 3ht2 s VAL 71 Ca 0.20 1.21 0.04 0.00 0.00 0.00 0.00 61.98 63.44 3ht2 s VAL 71 Cb -0.18 -3.78 0.16 0.00 0.00 0.00 0.00 36.38 32.58 3ht2 s VAL 71 CO 0.11 -0.01 0.40 -0.76 0.00 0.00 0.00 175.10 174.84 3ht2 s LEU 72 N 2.43 3.59 0.35 3.92 1.43 0.55 -1.85 118.68 129.11 3ht2 s LEU 72 Ca 0.62 -3.40 0.08 0.00 -1.03 0.00 0.00 54.13 50.40 3ht2 s LEU 72 Cb -0.30 -1.24 0.81 0.00 0.03 0.00 0.00 46.19 45.49 3ht2 s LEU 72 CO 0.25 -0.15 1.88 -0.65 0.23 0.00 0.00 176.35 177.91 3ht2 h PRO 73 N 5.75 0.68 0.00 1.29 0.11 -1.77 -0.31 132.00 137.75 3ht2 h PRO 73 Ca 0.13 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3ht2 h PRO 73 Cb 0.83 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3ht2 h PRO 73 CO 0.59 0.45 0.00 -0.25 -0.21 0.00 0.00 178.00 178.58 3ht2 n ASP 74 N -4.55 0.00 -0.37 -2.05 8.00 -1.26 -2.11 116.55 114.21 3ht2 n ASP 74 Ca 0.17 -0.10 0.03 0.00 0.71 0.00 0.00 54.79 55.60 3ht2 n ASP 74 Cb 0.44 -0.27 0.09 0.00 -0.02 0.00 0.00 41.12 41.36 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 -1.27 2.90 -2.78 -1.24 6.02 -0.22 -5.01 117.38 115.78 3ht2 n GLN 75 Ca 0.12 -1.85 -0.17 0.00 -0.01 0.00 0.00 57.00 55.08 3ht2 n GLN 75 Cb 0.19 -1.18 -0.00 0.00 1.02 0.00 0.00 30.24 30.28 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 0.02 -0.50 3.66 1.08 0.00 -0.66 -4.90 105.19 103.89 3ht2 n GLY 76 Ca 0.07 0.04 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 -5.40 1.59 -0.10 1.61 1.70 -1.11 -4.70 118.95 112.53 3ht2 s ARG 77 Ca 0.16 -1.08 0.03 0.00 -0.47 0.00 0.00 55.73 54.37 3ht2 s ARG 77 Cb -0.08 0.53 0.01 0.00 -0.57 0.00 0.00 34.95 34.84 3ht2 s ARG 77 CO 0.19 -0.69 -0.20 0.99 -1.08 0.00 0.00 175.30 174.52 3ht2 s THR 78 N -3.95 1.78 -0.21 4.99 2.01 -0.91 -0.33 115.64 119.02 3ht2 s THR 78 Ca 0.16 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.25 3ht2 s THR 78 Cb -0.02 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.88 3ht2 s THR 78 CO 0.06 0.50 0.05 -0.70 -0.69 0.00 0.00 174.62 173.83 3ht2 s GLU 79 N 0.63 3.76 0.14 4.92 2.56 -0.16 -4.89 118.70 125.66 3ht2 s GLU 79 Ca -0.13 -0.44 -0.30 0.00 0.00 0.00 0.00 54.97 54.10 3ht2 s GLU 79 Cb -0.16 -3.21 -0.07 0.00 2.00 0.00 0.00 34.13 32.68 3ht2 s GLU 79 CO 0.04 0.04 1.17 -2.00 -0.56 0.00 0.00 175.26 173.95 3ht2 s GLU 80 N 0.98 4.50 0.16 4.30 2.12 -1.26 -0.60 118.70 128.89 3ht2 s GLU 80 Ca 0.03 1.79 0.10 0.00 0.36 0.00 0.00 54.97 57.25 3ht2 s GLU 80 Cb -0.14 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 3ht2 s GLU 80 CO 0.03 -0.11 -0.21 0.14 -0.54 0.00 0.00 175.26 174.57 3ht2 s VAL 81 N 0.32 2.00 0.26 3.70 -7.23 -1.26 -4.94 120.40 113.24 3ht2 s VAL 81 Ca 0.54 -1.90 -0.01 0.00 -1.81 0.00 0.00 61.98 58.81 3ht2 s VAL 81 Cb -0.31 -1.90 0.00 0.00 0.56 0.00 0.00 36.38 34.74 3ht2 s VAL 81 CO 0.33 -0.20 0.34 0.61 -0.31 0.00 0.00 175.10 175.88 3ht2 n GLY 82 N 0.42 2.47 3.77 2.32 0.00 -1.26 -4.33 105.19 108.57 3ht2 n GLY 82 Ca -0.14 -1.58 -0.39 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 -2.63 3.84 0.00 1.61 0.02 -1.21 -2.76 135.00 133.88 3ht2 s PRO 83 Ca 0.22 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.42 3ht2 s PRO 83 Cb -0.00 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.84 3ht2 s PRO 83 CO 0.16 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.63 3ht2 n GLY 84 N 0.64 0.75 3.72 0.52 0.00 -0.02 -5.01 105.19 105.80 3ht2 n GLY 84 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.25 4.28 -0.10 1.61 2.02 -1.11 -4.91 118.70 120.24 3ht2 s GLU 85 Ca 0.00 0.18 -0.13 0.00 0.02 0.00 0.00 54.97 55.04 3ht2 s GLU 85 Cb 0.00 -3.43 -0.05 0.00 0.10 0.00 0.00 34.13 30.75 3ht2 s GLU 85 CO 0.00 0.21 0.31 0.00 0.02 0.00 0.00 175.26 175.80 3ht2 s ALA 86 N 0.53 3.67 -0.12 5.21 0.00 -1.26 -1.35 121.76 128.45 3ht2 s ALA 86 Ca 0.19 -0.40 -0.00 0.00 0.00 0.00 0.00 51.96 51.75 3ht2 s ALA 86 Cb -0.13 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.68 3ht2 s ALA 86 CO 0.05 0.31 -0.09 0.42 0.00 0.00 0.00 175.76 176.45 3ht2 s ILE 87 N -0.30 1.14 -0.22 0.00 1.01 0.37 -4.97 121.20 118.24 3ht2 s ILE 87 Ca 0.19 -0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.34 3ht2 s ILE 87 Cb -0.14 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 3ht2 s ILE 87 CO 0.07 0.39 0.30 0.12 0.00 0.00 0.00 174.94 175.82 3ht2 s PHE 88 N 1.64 3.35 -0.27 3.97 5.36 -1.26 -0.43 117.98 130.34 3ht2 s PHE 88 Ca 0.04 0.45 0.02 0.00 -0.96 0.00 0.00 56.93 56.48 3ht2 s PHE 88 Cb -0.13 -2.42 0.06 0.00 -0.34 0.00 0.00 43.02 40.19 3ht2 s PHE 88 CO -0.08 0.03 -0.08 0.42 -1.46 0.00 0.00 175.22 174.04 3ht2 s ILE 89 N 1.19 2.40 0.93 3.12 1.01 -0.03 -5.00 121.20 124.82 3ht2 s ILE 89 Ca 0.14 -1.56 -0.11 0.00 0.00 0.00 0.00 60.65 59.12 3ht2 s ILE 89 Cb -0.14 -2.40 0.15 0.00 0.01 0.00 0.00 42.46 40.08 3ht2 s ILE 89 CO 0.06 -0.05 1.09 -2.16 0.00 0.00 0.00 174.94 173.89 3ht2 s PRO 90 N 1.15 1.00 0.07 2.79 0.04 -1.26 -1.35 135.00 137.43 3ht2 s PRO 90 Ca -0.08 0.95 -0.36 0.00 0.04 0.00 0.00 61.00 61.55 3ht2 s PRO 90 Cb -0.20 -1.77 -0.16 0.00 0.04 0.00 0.00 34.50 32.42 3ht2 s PRO 90 CO -0.04 -2.45 1.47 0.54 0.04 0.00 0.00 177.00 176.56 3ht2 n ARG 91 N -4.05 1.49 0.00 4.56 1.74 -1.26 -2.58 116.66 116.57 3ht2 n ARG 91 Ca 0.07 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 3ht2 n ARG 91 Cb 0.54 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 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 3.02 1.53 3.67 -0.13 0.00 -0.54 -4.99 105.19 107.74 3ht2 n GLY 92 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.76 4.29 0.38 1.61 2.56 -1.06 -4.73 118.70 120.99 3ht2 s GLU 93 Ca 0.00 1.12 -0.26 0.00 0.00 0.00 0.00 54.97 55.83 3ht2 s GLU 93 Cb 0.00 -3.60 -0.09 0.00 2.00 0.00 0.00 34.13 32.45 3ht2 s GLU 93 CO 0.00 -0.42 1.24 -2.14 -0.56 0.00 0.00 175.26 173.38 3ht2 s PRO 94 N 2.46 4.10 -0.05 4.30 0.02 -1.26 -4.68 135.00 139.88 3ht2 s PRO 94 Ca 0.40 2.03 -0.30 0.00 0.02 0.00 0.00 61.00 63.16 3ht2 s PRO 94 Cb -0.16 -2.80 0.09 0.00 0.02 0.00 0.00 34.50 31.64 3ht2 s PRO 94 CO 0.11 -0.34 0.78 -3.38 -0.33 0.00 0.00 177.00 173.83 3ht2 s HIS 95 N -1.29 -0.54 0.26 6.54 -3.43 -0.01 -4.22 115.29 112.61 3ht2 s HIS 95 Ca 0.55 0.81 -0.20 0.00 -0.80 0.00 0.00 55.06 55.43 3ht2 s HIS 95 Cb -0.35 0.45 0.02 0.00 -1.43 0.00 0.00 32.58 31.27 3ht2 s HIS 95 CO 0.45 -0.56 0.66 0.20 -2.00 0.00 0.00 174.74 173.49 3ht2 s GLY 96 N -1.47 -0.05 0.16 -1.38 0.00 -0.77 -0.93 107.32 102.87 3ht2 s GLY 96 Ca -0.06 -0.32 0.11 0.00 0.00 0.00 0.00 44.72 44.45 3ht2 s GLY 96 CO 0.03 -0.16 -0.24 -1.36 0.00 0.00 0.00 173.10 171.37 3ht2 s PHE 97 N -3.92 2.18 -0.05 1.90 0.08 -1.26 -0.59 117.98 116.33 3ht2 s PHE 97 Ca 0.12 -0.39 -0.23 0.00 0.12 0.00 0.00 56.93 56.55 3ht2 s PHE 97 Cb -0.04 -1.13 0.05 0.00 -0.57 0.00 0.00 43.02 41.32 3ht2 s PHE 97 CO 0.05 0.39 0.52 0.54 -0.10 0.00 0.00 175.22 176.61 3ht2 s VAL 98 N -1.43 0.02 0.02 -0.44 0.11 -0.63 -1.47 120.40 116.57 3ht2 s VAL 98 Ca 0.16 -0.19 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 3ht2 s VAL 98 Cb -0.09 -0.82 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 3ht2 s VAL 98 CO 0.07 -0.11 -0.04 0.42 -3.33 0.00 0.00 175.10 172.12 3ht2 s THR 99 N -1.11 0.25 0.00 5.04 -4.23 -0.25 -0.09 115.64 115.25 3ht2 s THR 99 Ca -0.11 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 3ht2 s THR 99 Cb -0.02 -0.30 0.00 0.00 1.34 0.00 0.00 72.50 73.51 3ht2 s THR 99 CO 0.07 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 3ht2 n GLY 100 N 2.20 0.77 3.76 3.99 0.00 -1.26 -2.64 105.19 112.02 3ht2 n GLY 100 Ca -0.18 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 3ht2 n GLY 100 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ht2 s PRO 101 N -1.64 3.62 0.00 1.61 0.02 -1.26 -1.75 135.00 135.59 3ht2 s PRO 101 Ca 0.00 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.11 3ht2 s PRO 101 Cb 0.00 -2.49 0.00 0.00 0.02 0.00 0.00 34.50 32.03 3ht2 s PRO 101 CO 0.00 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.32 3ht2 n GLY 102 N 0.61 0.46 3.24 0.52 0.00 -1.26 -4.91 105.19 103.85 3ht2 n GLY 102 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.60 3.09 0.13 1.61 0.74 -1.11 -4.98 119.66 118.55 3ht2 s GLN 103 Ca 0.00 -0.80 0.10 0.00 0.05 0.00 0.00 55.36 54.71 3ht2 s GLN 103 Cb 0.00 -2.95 -0.04 0.00 1.10 0.00 0.00 33.01 31.12 3ht2 s GLN 103 CO 0.00 -0.29 -0.24 0.99 -0.55 0.00 0.00 175.29 175.19 3ht2 s THR 104 N 1.39 2.09 -0.10 -0.34 2.01 -1.26 -2.80 115.64 116.62 3ht2 s THR 104 Ca 0.03 -1.73 -0.05 0.00 0.31 0.00 0.00 61.69 60.25 3ht2 s THR 104 Cb -0.15 -1.87 0.05 0.00 0.01 0.00 0.00 72.50 70.53 3ht2 s THR 104 CO -0.05 0.01 0.24 0.00 -0.69 0.00 0.00 174.62 174.12 3ht2 s ARG 106 N 1.24 3.25 -0.06 0.00 3.52 -0.14 -0.61 118.95 126.15 3ht2 s ARG 106 Ca -0.09 -0.75 -0.16 0.00 -0.13 0.00 0.00 55.73 54.60 3ht2 s ARG 106 Cb -0.10 -2.56 0.03 0.00 -1.56 0.00 0.00 34.95 30.76 3ht2 s ARG 106 CO -0.08 0.13 0.37 -0.59 -0.81 0.00 0.00 175.30 174.32 3ht2 s PHE 107 N 0.52 -0.31 0.09 5.12 -0.12 -0.35 -0.71 117.98 122.23 3ht2 s PHE 107 Ca -0.11 0.60 -0.19 0.00 -0.05 0.00 0.00 56.93 57.18 3ht2 s PHE 107 Cb -0.16 0.14 -0.07 0.00 -0.63 0.00 0.00 43.02 42.30 3ht2 s PHE 107 CO 0.04 -0.35 0.59 -0.51 -0.05 0.00 0.00 175.22 174.94 3ht2 s LEU 108 N -0.83 4.51 -0.09 -1.99 1.43 0.49 -0.76 118.68 121.44 3ht2 s LEU 108 Ca -0.09 1.28 0.03 0.00 -1.03 0.00 0.00 54.13 54.32 3ht2 s LEU 108 Cb -0.04 -2.97 0.01 0.00 0.03 0.00 0.00 46.19 43.22 3ht2 s LEU 108 CO 0.04 0.25 -0.19 -0.69 0.23 0.00 0.00 176.35 175.99 3ht2 s VAL 109 N -1.15 1.69 -0.21 -1.59 1.01 -0.01 -1.21 120.40 118.93 3ht2 s VAL 109 Ca 0.31 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 3ht2 s VAL 109 Cb -0.19 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 3ht2 s VAL 109 CO 0.20 0.48 0.12 -0.69 0.00 0.00 0.00 175.10 175.20 3ht2 s VAL 110 N 0.58 5.19 0.10 2.92 1.01 0.87 -1.90 120.40 129.18 3ht2 s VAL 110 Ca -0.15 0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.98 3ht2 s VAL 110 Cb -0.17 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 3ht2 s VAL 110 CO 0.05 0.42 -0.09 0.00 0.00 0.00 0.00 175.10 175.48 3ht2 s ALA 111 N 0.57 1.13 0.80 5.51 0.00 -0.87 -3.11 121.76 125.78 3ht2 s ALA 111 Ca 0.06 -1.26 -0.11 0.00 0.00 0.00 0.00 51.96 50.65 3ht2 s ALA 111 Cb -0.12 0.06 0.07 0.00 0.00 0.00 0.00 23.12 23.13 3ht2 s ALA 111 CO 0.00 -0.09 1.09 -1.25 0.00 0.00 0.00 175.76 175.51 3ht2 s PRO 112 N -3.14 2.08 0.22 0.00 0.04 -1.26 -0.03 135.00 132.92 3ht2 s PRO 112 Ca 0.08 0.96 -0.04 0.00 0.04 0.00 0.00 61.00 62.04 3ht2 s PRO 112 Cb -0.00 -1.89 0.21 0.00 0.04 0.00 0.00 34.50 32.86 3ht2 s PRO 112 CO -0.01 -1.70 1.67 0.00 0.04 0.00 0.00 177.00 176.99 3ht2 s GLU 114 N -4.76 3.57 -0.41 0.00 0.41 -1.26 -5.01 118.70 111.24 3ht2 s GLU 114 Ca -0.10 -0.23 0.01 0.00 -0.41 0.00 0.00 54.97 54.24 3ht2 s GLU 114 Cb 0.14 -3.82 0.14 0.00 -1.78 0.00 0.00 34.13 28.80 3ht2 s GLU 114 CO 0.83 -0.66 0.23 1.03 -0.49 0.00 0.00 175.26 176.21 3ht2 s ARG 115 N 2.35 1.04 0.86 1.61 0.52 -1.26 -4.92 118.95 119.15 3ht2 s ARG 115 Ca 0.18 -1.79 -0.10 0.00 -0.52 0.00 0.00 55.73 53.50 3ht2 s ARG 115 Cb -0.16 -1.98 0.11 0.00 0.52 0.00 0.00 34.95 33.45 3ht2 s ARG 115 CO 0.13 -1.18 1.13 -1.25 0.02 0.00 0.00 175.30 174.15 3ht2 s PRO 116 N 0.58 1.44 0.56 3.54 0.04 -1.26 -4.92 135.00 134.98 3ht2 s PRO 116 Ca 0.18 1.44 -0.21 0.00 0.04 0.00 0.00 61.00 62.45 3ht2 s PRO 116 Cb -0.23 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 3ht2 s PRO 116 CO 0.00 -2.30 1.32 -2.14 0.04 0.00 0.00 177.00 173.92 3ht2 s PRO 117 N -4.70 3.08 0.55 0.56 0.02 -1.26 -4.73 135.00 128.52 3ht2 s PRO 117 Ca 0.65 2.14 -0.14 0.00 0.02 0.00 0.00 61.00 63.68 3ht2 s PRO 117 Cb -0.21 -2.18 -0.06 0.00 0.02 0.00 0.00 34.50 32.07 3ht2 s PRO 117 CO 0.57 -1.21 0.99 0.14 -0.33 0.00 0.00 177.00 177.16 3ht2 s VAL 118 N -1.36 4.63 -0.12 3.83 -7.23 -1.26 -4.76 120.40 114.13 3ht2 s VAL 118 Ca 0.73 1.02 -0.02 0.00 -1.81 0.00 0.00 61.98 61.90 3ht2 s VAL 118 Cb -0.38 -3.79 -0.03 0.00 0.56 0.00 0.00 36.38 32.74 3ht2 s VAL 118 CO 0.44 -0.89 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.16 3ht2 s ARG 119 N -4.56 3.32 0.10 4.82 0.52 0.11 -4.96 118.95 118.29 3ht2 s ARG 119 Ca 0.57 -0.55 -0.28 0.00 -0.52 0.00 0.00 55.73 54.95 3ht2 s ARG 119 Cb -0.10 -2.76 -0.06 0.00 0.52 0.00 0.00 34.95 32.55 3ht2 s ARG 119 CO 0.41 0.38 0.87 -0.80 0.02 0.00 0.00 175.30 176.19 3ht2 s ASN 120 N -0.05 7.39 0.12 0.23 0.01 -1.26 0.05 114.94 121.43 3ht2 s ASN 120 Ca 0.00 1.66 -0.15 0.00 -0.71 0.00 0.00 52.86 53.66 3ht2 s ASN 120 Cb -0.13 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 38.97 3ht2 s ASN 120 CO 0.03 -0.01 1.61 0.58 -1.51 0.00 0.00 177.10 177.80 3ht2 h VAL 121 N 3.98 1.24 -3.62 1.60 2.07 -1.63 -3.41 116.25 116.48 3ht2 h VAL 121 Ca -0.44 -0.85 -0.69 0.00 0.82 0.00 0.00 66.70 65.54 3ht2 h VAL 121 Cb 1.21 1.04 -0.25 0.00 -1.52 0.00 0.00 31.29 31.77 3ht2 h VAL 121 CO 0.71 0.29 -0.57 -0.36 0.02 0.00 0.00 177.57 177.66 3ht2 s PHE 122 N -5.20 3.20 -0.03 1.57 0.08 -1.26 -5.08 117.98 111.27 3ht2 s PHE 122 Ca -0.13 -0.98 -0.20 0.00 0.12 0.00 0.00 56.93 55.73 3ht2 s PHE 122 Cb 0.10 -2.33 -0.05 0.00 -0.57 0.00 0.00 43.02 40.16 3ht2 s PHE 122 CO 0.77 -0.60 0.58 -0.51 -0.10 0.00 0.00 175.22 175.36 3ht2 s LEU 123 N 1.52 4.39 -0.18 -0.37 1.43 -1.26 -4.88 118.68 119.33 3ht2 s LEU 123 Ca 0.02 1.10 -0.30 0.00 -1.03 0.00 0.00 54.13 53.92 3ht2 s LEU 123 Cb -0.18 -2.89 0.13 0.00 0.03 0.00 0.00 46.19 43.28 3ht2 s LEU 123 CO 0.05 0.07 1.03 -0.94 0.23 0.00 0.00 176.35 176.79 3ht2 s SER 124 N 0.01 -0.35 0.09 2.29 1.04 -1.26 -5.05 113.70 110.47 3ht2 s SER 124 Ca 0.31 0.39 -0.19 0.00 0.48 0.00 0.00 55.95 56.94 3ht2 s SER 124 Cb -0.18 0.30 -0.08 0.00 0.10 0.00 0.00 66.02 66.17 3ht2 s SER 124 CO 0.16 -0.31 1.56 -0.33 0.98 0.00 0.00 173.24 175.30 3ht2 h GLU 125 N 2.59 0.39 -6.42 4.02 5.08 -2.05 -3.39 114.58 114.81 3ht2 h GLU 125 Ca -0.18 -0.10 -0.57 0.00 -1.00 0.00 0.00 59.36 57.51 3ht2 h GLU 125 Cb 1.16 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.31 3ht2 h GLU 125 CO 0.29 0.52 0.94 0.34 -1.00 0.00 0.00 179.01 180.10 3ht2 s ASP 126 N -5.81 6.71 0.06 1.42 2.15 -1.26 -4.92 116.67 115.02 3ht2 s ASP 126 Ca -0.14 1.01 0.15 0.00 0.43 0.00 0.00 52.55 54.00 3ht2 s ASP 126 Cb 0.07 -2.54 0.63 0.00 -0.30 0.00 0.00 42.92 40.78 3ht2 s ASP 126 CO 0.73 -1.08 1.46 -0.81 -0.17 0.00 0.00 175.17 175.30 3ht2 n PRO 127 N 7.34 0.04 0.00 4.34 -0.04 -1.26 -2.08 135.00 143.35 3ht2 n PRO 127 Ca 0.14 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 64.04 3ht2 n PRO 127 Cb 0.47 -1.58 0.29 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.66 0.00 0.11 0.54 4.01 -1.26 -4.24 117.16 114.65 3ht2 n TYR 128 Ca 0.03 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.91 3ht2 n TYR 128 Cb 0.16 -0.24 0.66 0.00 -0.31 0.00 0.00 39.34 39.61 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 0.17 0.02 -1.04 -0.72 4.81 -1.82 -2.07 114.58 113.93 3ht2 h GLU 129 Ca 0.00 -0.00 0.27 0.00 -0.13 0.00 0.00 59.36 59.50 3ht2 h GLU 129 Cb 0.50 -0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.76 3ht2 h GLU 129 CO 0.00 0.01 0.65 0.10 -0.73 0.00 0.00 179.01 179.04 3ht2 h TYR 130 N 0.02 0.80 0.00 0.92 -0.00 -1.82 -0.77 116.97 116.12 3ht2 h TYR 130 Ca 0.15 0.03 -0.01 0.00 0.00 0.00 0.00 58.73 58.89 3ht2 h TYR 130 Cb 0.56 -0.23 -0.00 0.00 0.00 0.00 0.00 36.73 37.06 3ht2 h TYR 130 CO -0.00 0.03 -0.05 1.79 -0.00 0.00 0.00 178.16 179.93 3ht2 h THR 131 N 0.44 0.24 -3.67 -0.90 1.35 -1.73 -3.43 112.91 105.21 3ht2 h THR 131 Ca 0.64 -0.37 -0.78 0.00 -0.55 0.00 0.00 66.41 65.35 3ht2 h THR 131 Cb 1.47 1.29 -0.28 0.00 -1.73 0.00 0.00 68.15 68.90 3ht2 h THR 131 CO -0.39 0.05 0.21 0.00 -0.25 0.00 0.00 175.52 175.14 3ht2 s GLN 132 N -4.04 3.78 -0.10 4.72 -2.07 -0.30 -4.78 119.66 116.87 3ht2 s GLN 132 Ca -0.02 -2.84 0.01 0.00 -1.82 0.00 0.00 55.36 50.69 3ht2 s GLN 132 Cb 0.12 -4.42 -0.07 0.00 -1.09 0.00 0.00 33.01 27.55 3ht2 s GLN 132 CO 0.52 -1.26 -0.08 -2.30 -1.32 0.00 0.00 175.29 170.85 3ht2 n PRO 134 N 3.31 0.46 -0.28 9.60 -0.02 -1.26 -4.96 135.00 141.85 3ht2 n PRO 134 Ca 0.18 0.05 0.01 0.00 -2.02 0.00 0.00 63.50 61.73 3ht2 n PRO 134 Cb 0.43 -1.20 0.14 0.00 -0.02 0.00 0.00 33.50 32.84 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 0.77 0.12 -0.52 3.07 -1.99 -0.50 114.58 115.53 3ht2 h GLU 135 Ca -0.23 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.58 3ht2 h GLU 135 Cb 1.36 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 3ht2 h GLU 135 CO -0.03 0.51 -0.06 -0.92 -1.40 0.00 0.00 179.01 177.11 3ht2 h TYR 136 N 0.79 -0.15 -0.26 4.33 3.20 -1.96 -3.26 116.97 119.66 3ht2 h TYR 136 Ca 0.36 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.30 3ht2 h TYR 136 Cb 0.27 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3ht2 h TYR 136 CO -0.06 0.33 0.19 1.79 -1.64 0.00 0.00 178.16 178.77 3ht2 h THR 137 N -0.84 0.86 0.00 1.81 1.35 -1.80 -0.17 112.91 114.13 3ht2 h THR 137 Ca -0.02 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.76 3ht2 h THR 137 Cb 0.55 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 3ht2 h THR 137 CO 0.03 0.00 -0.42 0.77 -0.25 0.00 0.00 175.52 175.65 3ht2 h SER 138 N 0.00 0.00 0.07 5.36 4.64 -1.18 -2.66 113.55 119.78 3ht2 h SER 138 Ca 0.12 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 3ht2 h SER 138 Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 3ht2 h SER 138 CO -0.00 0.42 -0.19 -0.07 -0.87 0.00 0.00 176.83 176.12 3ht2 h LEU 139 N 0.00 0.22 -0.29 5.97 3.38 -1.06 -2.35 115.31 121.19 3ht2 h LEU 139 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3ht2 h LEU 139 Cb 0.90 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3ht2 h LEU 139 CO 0.05 0.43 0.00 0.18 0.09 0.00 0.00 178.44 179.19 3ht2 n LEU 140 N -4.22 0.28 0.00 1.67 4.77 -1.00 -2.15 117.00 116.35 3ht2 n LEU 140 Ca -0.01 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 3ht2 n LEU 140 Cb 0.31 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3ht2 n LEU 140 CO 0.39 -0.37 0.00 -0.62 -1.33 0.00 0.00 177.39 175.46