#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1twh s THR 2 N 0.00 2.99 -0.41 2.03 2.01 -1.26 -4.98 115.64 116.02 1twh s THR 2 Ca 0.00 0.90 0.01 0.00 0.31 0.00 0.00 61.69 62.91 1twh s THR 2 Cb 0.00 -3.54 0.14 0.00 0.01 0.00 0.00 72.50 69.11 1twh s THR 2 CO 0.00 0.14 0.23 -0.89 -0.69 0.00 0.00 174.62 173.41 1twh s THR 3 N -1.28 0.96 0.00 -0.82 2.01 -1.26 -5.10 115.64 110.14 1twh s THR 3 Ca 0.53 -2.24 0.00 0.00 0.31 0.00 0.00 61.69 60.30 1twh s THR 3 Cb -0.34 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.49 1twh s THR 3 CO 0.44 -0.92 0.00 0.49 -0.69 0.00 0.00 174.62 173.94 1twh n PHE 4 N 3.75 0.00 -4.22 4.92 3.72 -1.26 -5.02 117.46 119.35 1twh n PHE 4 Ca 0.09 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.31 1twh n PHE 4 Cb 0.35 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.78 1twh n PHE 4 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1twh s ARG 5 N 0.00 0.96 0.13 -1.08 0.52 -1.26 -5.08 118.95 113.13 1twh s ARG 5 Ca 0.00 -1.14 0.08 0.00 -0.52 0.00 0.00 55.73 54.15 1twh s ARG 5 Cb 0.00 -0.90 -0.04 0.00 0.52 0.00 0.00 34.95 34.53 1twh s ARG 5 CO 0.00 0.18 -0.18 -0.06 0.02 0.00 0.00 175.30 175.26 1twh s PHE 6 N -1.80 1.68 0.17 -0.53 0.40 -1.26 -1.32 117.98 115.31 1twh s PHE 6 Ca 0.05 -0.47 -0.33 0.00 -0.60 0.00 0.00 56.93 55.58 1twh s PHE 6 Cb -0.07 -0.88 -0.15 0.00 0.51 0.00 0.00 43.02 42.44 1twh s PHE 6 CO 0.03 0.23 1.41 0.00 0.70 0.00 0.00 175.22 177.58 1twh h ARG 8 N 4.70 0.61 0.02 0.00 2.43 -1.99 -0.75 114.38 119.40 1twh h ARG 8 Ca -0.45 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 58.44 1twh h ARG 8 Cb 1.29 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1twh h ARG 8 CO 0.79 0.86 -0.01 -0.44 -1.51 0.00 0.00 179.97 179.67 1twh h ASP 9 N 0.51 -0.02 1.73 -3.80 3.32 -1.99 -3.41 116.42 112.77 1twh h ASP 9 Ca 0.06 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1twh h ASP 9 Cb 0.82 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1twh h ASP 9 CO 0.07 0.50 -0.27 0.00 -1.72 0.00 0.00 179.24 177.82 1twh n ASN 11 N -3.12 -6.17 -4.85 0.00 5.15 -0.29 -4.96 115.26 101.02 1twh n ASN 11 Ca 0.03 -0.31 -0.21 0.00 -0.60 0.00 0.00 54.58 53.48 1twh n ASN 11 Cb 0.62 -4.96 -0.04 0.00 -0.53 0.00 0.00 39.78 34.87 1twh n ASN 11 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1twh s ASN 12 N -2.77 5.51 0.81 1.20 0.02 -1.26 -4.78 114.94 113.67 1twh s ASN 12 Ca 0.33 -0.32 -0.11 0.00 -1.02 0.00 0.00 52.86 51.74 1twh s ASN 12 Cb -0.15 -1.26 0.08 0.00 0.02 0.00 0.00 41.25 39.94 1twh s ASN 12 CO 0.41 -0.18 1.12 -0.32 0.02 0.00 0.00 177.10 178.14 1twh s MET 13 N -3.93 1.89 0.16 -0.60 0.00 -1.26 -0.65 119.30 114.92 1twh s MET 13 Ca 0.37 1.34 0.07 0.00 0.00 0.00 0.00 55.69 57.46 1twh s MET 13 Cb -0.07 -1.84 -0.04 0.00 0.00 0.00 0.00 34.83 32.87 1twh s MET 13 CO 0.26 -1.94 0.03 -0.51 0.00 0.00 0.00 175.02 172.86 1twh s LEU 14 N -6.02 3.44 0.04 4.11 1.43 -0.43 -4.39 118.68 116.85 1twh s LEU 14 Ca 0.64 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 1twh s LEU 14 Cb -0.20 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 1twh s LEU 14 CO 0.55 0.09 -0.08 -0.31 0.23 0.00 0.00 176.35 176.83 1twh s TYR 15 N -1.69 0.72 0.44 0.29 1.51 -0.56 -4.74 117.35 113.32 1twh s TYR 15 Ca 0.28 -0.44 -0.19 0.00 -1.01 0.00 0.00 57.07 55.71 1twh s TYR 15 Cb -0.10 -0.43 -0.10 0.00 -0.11 0.00 0.00 41.96 41.22 1twh s TYR 15 CO 0.20 -0.06 0.93 -2.14 -1.11 0.00 0.00 175.55 173.37 1twh s PRO 16 N -1.40 4.13 -0.27 -1.71 0.02 -1.26 -0.07 135.00 134.43 1twh s PRO 16 Ca -0.07 1.02 -0.24 0.00 0.02 0.00 0.00 61.00 61.72 1twh s PRO 16 Cb -0.09 -2.20 0.09 0.00 0.02 0.00 0.00 34.50 32.32 1twh s PRO 16 CO 0.01 -0.07 0.81 1.03 -0.33 0.00 0.00 177.00 178.44 1twh s ARG 17 N -3.40 0.73 -0.11 5.54 1.81 -0.45 -4.80 118.95 118.27 1twh s ARG 17 Ca 0.60 0.90 -0.12 0.00 -1.72 0.00 0.00 55.73 55.39 1twh s ARG 17 Cb -0.09 0.34 -0.05 0.00 -0.45 0.00 0.00 34.95 34.70 1twh s ARG 17 CO 0.18 -0.09 0.28 -2.00 -0.68 0.00 0.00 175.30 172.99 1twh s GLU 18 N 0.44 3.95 -1.01 3.54 2.12 -1.26 -0.42 118.70 126.06 1twh s GLU 18 Ca 0.00 0.12 -0.20 0.00 0.36 0.00 0.00 54.97 55.25 1twh s GLU 18 Cb -0.05 -3.31 0.10 0.00 0.26 0.00 0.00 34.13 31.13 1twh s GLU 18 CO -0.03 0.51 1.31 0.34 -0.54 0.00 0.00 175.26 176.85 1twh s ASP 19 N -0.36 6.63 0.35 -1.70 3.68 0.15 -4.83 116.67 120.59 1twh s ASP 19 Ca 0.18 -1.92 0.17 0.00 2.13 0.00 0.00 52.55 53.11 1twh s ASP 19 Cb -0.14 -2.48 1.15 0.00 -1.45 0.00 0.00 42.92 40.01 1twh s ASP 19 CO 0.06 -1.21 1.65 0.11 0.13 0.00 0.00 175.17 175.91 1twh h LYS 20 N 8.99 0.26 0.01 4.34 1.57 -1.95 0.62 116.57 130.40 1twh h LYS 20 Ca 0.20 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 1twh h LYS 20 Cb 1.00 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1twh h LYS 20 CO 1.26 0.17 -0.20 0.93 -0.57 0.00 0.00 179.45 181.04 1twh h GLU 21 N 0.27 0.13 -0.07 3.15 4.39 -1.95 -3.26 114.58 117.22 1twh h GLU 21 Ca 0.75 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 60.31 1twh h GLU 21 Cb 1.81 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.51 1twh h GLU 21 CO -0.61 0.91 0.00 0.09 -1.16 0.00 0.00 179.01 178.25 1twh n ASN 22 N -4.54 1.98 -2.42 1.42 3.02 -0.69 -4.93 115.26 109.10 1twh n ASN 22 Ca -0.10 -1.75 -0.10 0.00 -0.03 0.00 0.00 54.58 52.60 1twh n ASN 22 Cb 0.49 -0.05 0.05 0.00 -0.61 0.00 0.00 39.78 39.66 1twh n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1twh n ASN 23 N -0.10 -2.59 -4.08 6.41 3.02 0.21 -5.01 115.26 113.12 1twh n ASN 23 Ca 0.03 -0.37 -0.07 0.00 -0.03 0.00 0.00 54.58 54.14 1twh n ASN 23 Cb 0.24 -3.17 -0.10 0.00 -0.61 0.00 0.00 39.78 36.14 1twh n ASN 23 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1twh s ARG 24 N -4.57 0.59 -0.21 3.52 0.52 -0.85 -4.96 118.95 112.99 1twh s ARG 24 Ca 0.06 -1.16 -0.17 0.00 -0.52 0.00 0.00 55.73 53.94 1twh s ARG 24 Cb -0.01 0.20 -0.03 0.00 0.52 0.00 0.00 34.95 35.63 1twh s ARG 24 CO 0.42 -0.11 0.46 -1.17 0.02 0.00 0.00 175.30 174.92 1twh s LEU 25 N -2.78 4.14 0.24 2.53 2.96 -1.26 0.35 118.68 124.85 1twh s LEU 25 Ca 0.05 0.57 0.08 0.00 -0.22 0.00 0.00 54.13 54.61 1twh s LEU 25 Cb 0.06 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 1twh s LEU 25 CO -0.09 -0.14 0.07 -0.76 -1.32 0.00 0.00 176.35 174.11 1twh s LEU 26 N 1.58 3.46 -0.28 -0.68 1.43 0.45 0.69 118.68 125.32 1twh s LEU 26 Ca 0.21 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 52.74 1twh s LEU 26 Cb -0.15 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1twh s LEU 26 CO 0.09 0.00 0.27 -0.36 0.23 0.00 0.00 176.35 176.58 1twh s PHE 27 N -2.15 3.23 0.39 0.29 0.40 0.03 -1.34 117.98 118.83 1twh s PHE 27 Ca 0.31 0.24 0.08 0.00 -0.60 0.00 0.00 56.93 56.95 1twh s PHE 27 Cb -0.07 -2.47 -0.02 0.00 0.51 0.00 0.00 43.02 40.97 1twh s PHE 27 CO 0.22 -0.19 0.39 -1.83 0.70 0.00 0.00 175.22 174.50 1twh s GLU 28 N 1.89 2.66 0.18 0.44 -1.05 0.89 -2.99 118.70 120.73 1twh s GLU 28 Ca 0.10 -1.40 -0.04 0.00 -0.15 0.00 0.00 54.97 53.48 1twh s GLU 28 Cb -0.16 -2.49 -0.05 0.00 -0.44 0.00 0.00 34.13 30.99 1twh s GLU 28 CO 0.11 -0.12 0.41 0.00 0.95 0.00 0.00 175.26 176.61 1twh n ARG 30 N -0.20 2.23 -0.06 0.00 1.74 -1.26 -4.38 116.66 114.73 1twh n ARG 30 Ca -0.02 -1.85 -0.07 0.00 -0.77 0.00 0.00 57.85 55.14 1twh n ARG 30 Cb 0.52 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.39 1twh n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1twh n THR 31 N 1.09 0.88 -4.11 0.55 -1.04 -1.26 -5.04 114.28 105.34 1twh n THR 31 Ca 0.18 -0.52 -0.27 0.00 -2.04 0.00 0.00 64.05 61.39 1twh n THR 31 Cb 0.52 -0.70 -0.04 0.00 -1.82 0.00 0.00 70.33 68.29 1twh n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1twh n SER 33 N -1.52 2.66 -4.81 0.00 7.64 -1.26 -4.77 113.62 111.56 1twh n SER 33 Ca -0.05 -3.78 -0.33 0.00 1.01 0.00 0.00 58.87 55.71 1twh n SER 33 Cb 0.65 -0.66 -0.05 0.00 -1.01 0.00 0.00 64.21 63.14 1twh n SER 33 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1twh s TYR 34 N -3.28 3.16 0.08 1.43 5.04 -1.26 -4.89 117.35 117.64 1twh s TYR 34 Ca 0.46 1.59 -0.19 0.00 -2.44 0.00 0.00 57.07 56.50 1twh s TYR 34 Cb 0.42 -2.95 0.04 0.00 0.35 0.00 0.00 41.96 39.82 1twh s TYR 34 CO 0.01 -0.45 0.44 0.14 -1.34 0.00 0.00 175.55 174.35 1twh s VAL 35 N -2.09 0.05 0.01 3.14 -7.23 -1.26 -1.39 120.40 111.63 1twh s VAL 35 Ca 0.64 -0.42 -0.24 0.00 -1.81 0.00 0.00 61.98 60.16 1twh s VAL 35 Cb -0.12 -1.03 0.05 0.00 0.56 0.00 0.00 36.38 35.84 1twh s VAL 35 CO 0.17 -0.23 0.53 -1.83 -0.31 0.00 0.00 175.10 173.43 1twh s GLU 36 N -2.98 0.99 0.60 4.82 -1.05 -1.16 -5.01 118.70 114.91 1twh s GLU 36 Ca -0.02 -0.10 -0.13 0.00 -0.15 0.00 0.00 54.97 54.57 1twh s GLU 36 Cb 0.00 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 34.11 1twh s GLU 36 CO -0.06 -0.34 1.02 -1.83 0.95 0.00 0.00 175.26 175.01 1twh s GLU 37 N -1.97 3.58 0.15 -4.83 -1.05 -1.26 -0.79 118.70 112.52 1twh s GLU 37 Ca -0.08 0.86 -0.19 0.00 -0.15 0.00 0.00 54.97 55.41 1twh s GLU 37 Cb -0.01 -2.08 -0.07 0.00 -0.44 0.00 0.00 34.13 31.53 1twh s GLU 37 CO 0.02 -0.59 0.64 0.00 0.95 0.00 0.00 175.26 176.29 1twh s ALA 38 N -2.98 3.51 -0.15 -0.84 0.00 0.22 -4.65 121.76 116.86 1twh s ALA 38 Ca 0.57 0.08 -0.22 0.00 0.00 0.00 0.00 51.96 52.39 1twh s ALA 38 Cb -0.11 -2.71 -0.19 0.00 0.00 0.00 0.00 23.12 20.10 1twh s ALA 38 CO 0.47 0.38 0.47 0.78 0.00 0.00 0.00 175.76 177.86 1twh h GLY 39 N 3.89 0.00 -0.28 0.00 0.00 -1.94 -3.47 103.07 101.27 1twh h GLY 39 Ca -0.48 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.43 1twh h GLY 39 CO 0.65 0.00 -0.31 -1.14 0.00 0.00 0.00 176.54 175.73 1twh n SER 40 N -4.59 2.32 -0.40 0.19 3.41 -1.26 -5.05 113.62 108.24 1twh n SER 40 Ca -0.14 -2.46 0.11 0.00 -0.26 0.00 0.00 58.87 56.12 1twh n SER 40 Cb 0.45 0.39 0.05 0.00 -0.26 0.00 0.00 64.21 64.84 1twh n SER 40 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1twh n PRO 41 N -0.76 1.00 -2.70 4.33 -0.04 -1.26 -4.83 135.00 130.75 1twh n PRO 41 Ca -0.11 -0.80 -0.42 0.00 -0.04 0.00 0.00 63.50 62.13 1twh n PRO 41 Cb 0.42 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 1twh n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1twh s LEU 42 N -2.55 4.22 -0.01 1.53 2.96 -1.26 -4.81 118.68 118.77 1twh s LEU 42 Ca 0.18 1.49 0.16 0.00 -0.22 0.00 0.00 54.13 55.74 1twh s LEU 42 Cb 0.18 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 43.14 1twh s LEU 42 CO 0.60 -0.47 0.60 0.52 -1.32 0.00 0.00 176.35 176.27 1twh n VAL 43 N 4.66 0.00 -3.64 1.68 0.31 -1.26 -4.90 118.33 115.18 1twh n VAL 43 Ca 0.09 -0.19 -0.09 0.00 -0.01 0.00 0.00 64.34 64.14 1twh n VAL 43 Cb 0.48 0.79 -0.07 0.00 -0.91 0.00 0.00 33.84 34.13 1twh n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1twh s TYR 44 N -2.66 -0.73 -0.02 3.52 5.04 -1.26 -5.00 117.35 116.24 1twh s TYR 44 Ca 0.03 1.62 -0.03 0.00 -2.44 0.00 0.00 57.07 56.25 1twh s TYR 44 Cb 0.12 0.40 0.00 0.00 0.35 0.00 0.00 41.96 42.83 1twh s TYR 44 CO 0.66 -0.36 0.07 0.50 -1.34 0.00 0.00 175.55 175.09 1twh s ARG 45 N 0.81 0.20 -0.26 4.97 6.06 -1.26 -5.04 118.95 124.43 1twh s ARG 45 Ca -0.03 -0.10 -0.03 0.00 -2.50 0.00 0.00 55.73 53.08 1twh s ARG 45 Cb -0.05 0.08 0.08 0.00 0.06 0.00 0.00 34.95 35.13 1twh s ARG 45 CO -0.09 -0.04 0.09 -1.58 -2.50 0.00 0.00 175.30 171.18 1twh s HIS 46 N -0.46 1.03 -0.25 5.12 5.65 -1.26 -4.92 115.29 120.20 1twh s HIS 46 Ca -0.05 -1.14 -0.18 0.00 0.25 0.00 0.00 55.06 53.93 1twh s HIS 46 Cb -0.03 -1.21 -0.03 0.00 -1.18 0.00 0.00 32.58 30.13 1twh s HIS 46 CO 0.00 -0.76 0.54 -1.21 -0.65 0.00 0.00 174.74 172.67 1twh s GLU 47 N 1.86 4.10 0.16 2.88 2.02 -1.26 -4.94 118.70 123.52 1twh s GLU 47 Ca 0.06 0.39 -0.00 0.00 0.02 0.00 0.00 54.97 55.43 1twh s GLU 47 Cb -0.17 -3.63 -0.01 0.00 0.10 0.00 0.00 34.13 30.42 1twh s GLU 47 CO -0.22 -0.32 1.37 -0.07 0.02 0.00 0.00 175.26 176.04 1twh h LEU 48 N 8.65 0.38 -7.84 1.80 3.38 -2.08 -3.41 115.31 116.18 1twh h LEU 48 Ca -0.29 -0.29 -0.69 0.00 0.09 0.00 0.00 57.88 56.69 1twh h LEU 48 Cb 1.14 -0.11 -0.34 0.00 0.09 0.00 0.00 40.66 41.43 1twh h LEU 48 CO 0.73 1.07 -0.55 -0.63 0.09 0.00 0.00 178.44 179.16 1twh s ILE 49 N -3.32 3.31 0.14 1.22 1.01 -1.26 -5.06 121.20 117.23 1twh s ILE 49 Ca -0.04 -2.03 0.10 0.00 0.00 0.00 0.00 60.65 58.68 1twh s ILE 49 Cb 0.10 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 1twh s ILE 49 CO 0.84 -0.68 -0.21 0.28 0.00 0.00 0.00 174.94 175.17 1twh s THR 50 N 1.15 2.63 -0.49 2.92 -1.32 -1.26 -4.96 115.64 114.30 1twh s THR 50 Ca 0.08 -1.67 0.18 0.00 -1.21 0.00 0.00 61.69 59.07 1twh s THR 50 Cb -0.23 -2.21 -0.24 0.00 -1.51 0.00 0.00 72.50 68.31 1twh s THR 50 CO -0.04 0.05 0.61 0.59 -2.21 0.00 0.00 174.62 173.62 1twh n ASN 51 N 0.68 0.79 -4.67 8.08 4.13 -1.26 -4.91 115.26 118.10 1twh n ASN 51 Ca -0.15 -0.52 -0.50 0.00 1.68 0.00 0.00 54.58 55.09 1twh n ASN 51 Cb 0.53 1.38 -0.05 0.00 -1.54 0.00 0.00 39.78 40.11 1twh n ASN 51 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1twh n ILE 52 N -1.75 0.52 -0.20 2.41 2.08 -1.26 -2.57 119.36 118.59 1twh n ILE 52 Ca 0.00 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 63.20 1twh n ILE 52 Cb 0.38 -1.79 0.00 0.00 -0.75 0.00 0.00 39.64 37.48 1twh n ILE 52 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1twh n GLY 53 N 4.55 0.89 0.27 7.39 0.00 -1.26 -4.91 105.19 112.12 1twh n GLY 53 Ca 0.25 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.24 1twh n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1twh h GLU 54 N 2.18 0.24 -0.18 1.61 5.08 -1.79 -2.92 114.58 118.80 1twh h GLU 54 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1twh h GLU 54 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1twh h GLU 54 CO 0.00 0.22 0.00 2.41 -1.00 0.00 0.00 179.01 180.64 1twh n THR 55 N -4.44 0.99 -1.83 1.13 -1.04 -1.26 -2.45 114.28 105.37 1twh n THR 55 Ca -0.00 -1.00 -0.42 0.00 -2.04 0.00 0.00 64.05 60.59 1twh n THR 55 Cb 0.13 0.50 -0.02 0.00 -1.82 0.00 0.00 70.33 69.12 1twh n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1twh s ALA 56 N -1.00 3.80 0.00 2.41 0.00 -1.21 -2.89 121.76 122.88 1twh s ALA 56 Ca 0.12 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1twh s ALA 56 Cb 0.06 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1twh s ALA 56 CO 0.08 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.37 1twh n GLY 57 N 3.17 0.97 3.52 0.00 0.00 -1.26 -4.88 105.19 106.71 1twh n GLY 57 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1twh n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1twh s VAL 58 N -2.00 5.16 0.18 1.61 1.01 -1.14 -4.94 120.40 120.28 1twh s VAL 58 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.89 1twh s VAL 58 Cb 0.00 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1twh s VAL 58 CO 0.00 -0.20 -0.11 -0.69 0.00 0.00 0.00 175.10 174.11 1twh s VAL 59 N 2.00 1.40 0.56 2.92 1.01 -1.26 -5.01 120.40 122.02 1twh s VAL 59 Ca 0.11 -2.12 0.25 0.00 0.00 0.00 0.00 61.98 60.22 1twh s VAL 59 Cb -0.17 -2.00 0.35 0.00 0.00 0.00 0.00 36.38 34.55 1twh s VAL 59 CO 0.12 -0.62 2.10 -0.61 0.00 0.00 0.00 175.10 176.08 1twh h GLN 60 N 2.64 0.00 -0.90 2.72 5.75 -2.03 0.49 115.11 123.78 1twh h GLN 60 Ca -0.37 0.00 -0.51 0.00 -0.15 0.00 0.00 58.65 57.62 1twh h GLN 60 Cb 1.21 0.00 -0.28 0.00 1.07 0.00 0.00 27.48 29.48 1twh h GLN 60 CO 0.63 0.00 0.55 -0.25 -2.65 0.00 0.00 178.83 177.11 1twh n ASP 61 N -4.11 4.48 0.27 -0.69 10.43 -1.26 -4.64 116.55 121.03 1twh n ASP 61 Ca 0.02 -3.68 0.14 0.00 2.57 0.00 0.00 54.79 53.84 1twh n ASP 61 Cb 0.32 -0.82 0.73 0.00 1.84 0.00 0.00 41.12 43.18 1twh n ASP 61 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 1twh h ILE 62 N 1.04 0.44 -0.01 0.53 2.10 -1.26 -2.87 117.51 117.47 1twh h ILE 62 Ca 0.56 -0.57 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1twh h ILE 62 Cb 2.19 1.39 0.00 0.00 -1.09 0.00 0.00 36.82 39.31 1twh h ILE 62 CO 1.10 0.11 -0.22 0.61 -1.08 0.00 0.00 178.15 178.66 1twh n GLY 63 N -0.51 -0.17 0.05 8.18 0.00 -1.26 -2.77 105.19 108.70 1twh n GLY 63 Ca -0.01 -0.50 0.16 0.00 0.00 0.00 0.00 46.02 45.67 1twh n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1twh n SER 64 N -0.13 0.15 -4.56 1.61 3.41 -1.08 -4.82 113.62 108.19 1twh n SER 64 Ca 0.13 -1.01 -0.41 0.00 -0.26 0.00 0.00 58.87 57.32 1twh n SER 64 Cb 0.40 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 1twh n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1twh s ASP 65 N -2.03 6.10 0.00 4.04 -1.08 -1.12 -4.89 116.67 117.70 1twh s ASP 65 Ca 0.46 -0.01 0.13 0.00 -0.52 0.00 0.00 52.55 52.61 1twh s ASP 65 Cb 0.22 -2.55 0.57 0.00 -1.46 0.00 0.00 42.92 39.70 1twh s ASP 65 CO 0.37 -1.79 1.43 -0.81 0.52 0.00 0.00 175.17 174.88 1twh n PRO 66 N 8.95 0.00 0.00 4.34 -0.04 -1.26 -2.52 135.00 144.47 1twh n PRO 66 Ca 0.09 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 63.96 1twh n PRO 66 Cb 0.49 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.95 1twh n PRO 66 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1twh n THR 67 N -1.50 0.00 -3.55 0.52 -2.24 -1.26 -4.87 114.28 101.37 1twh n THR 67 Ca 0.03 -0.05 -0.36 0.00 -2.27 0.00 0.00 64.05 61.40 1twh n THR 67 Cb 0.16 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.34 1twh n THR 67 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1twh s LEU 68 N -2.65 4.39 0.69 3.22 1.43 -1.05 -5.00 118.68 119.72 1twh s LEU 68 Ca 0.23 0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 54.06 1twh s LEU 68 Cb 0.19 -2.83 0.01 0.00 0.03 0.00 0.00 46.19 43.59 1twh s LEU 68 CO 0.53 0.23 1.07 -2.16 0.23 0.00 0.00 176.35 176.25 1twh s PRO 69 N -1.62 2.89 0.18 1.29 0.04 -1.26 -4.90 135.00 131.63 1twh s PRO 69 Ca 0.30 1.04 0.11 0.00 0.04 0.00 0.00 61.00 62.48 1twh s PRO 69 Cb -0.15 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1twh s PRO 69 CO 0.16 -1.14 -0.24 1.03 0.04 0.00 0.00 177.00 176.85 1twh s ARG 70 N -4.85 1.49 0.38 4.56 0.52 -1.26 -1.77 118.95 118.02 1twh s ARG 70 Ca 0.60 -1.49 0.04 0.00 -0.52 0.00 0.00 55.73 54.35 1twh s ARG 70 Cb -0.15 -1.82 -0.03 0.00 0.52 0.00 0.00 34.95 33.47 1twh s ARG 70 CO 0.52 0.40 0.14 -1.54 0.02 0.00 0.00 175.30 174.84 1twh s SER 71 N -2.58 2.49 -0.22 0.23 1.04 -1.20 -4.96 113.70 108.50 1twh s SER 71 Ca 0.19 -1.64 0.15 0.00 0.48 0.00 0.00 55.95 55.13 1twh s SER 71 Cb -0.08 0.45 0.69 0.00 0.10 0.00 0.00 66.02 67.18 1twh s SER 71 CO 0.09 -0.91 1.61 -0.90 0.98 0.00 0.00 173.24 174.11 1twh n ASP 72 N -1.22 4.86 -4.54 7.02 5.75 -1.26 -3.47 116.55 123.69 1twh n ASP 72 Ca -0.04 -3.01 -0.29 0.00 -0.01 0.00 0.00 54.79 51.45 1twh n ASP 72 Cb 0.65 -0.63 0.23 0.00 -1.03 0.00 0.00 41.12 40.34 1twh n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1twh s ARG 73 N -2.83 -0.49 0.17 0.11 0.52 -1.26 -4.87 118.95 110.30 1twh s ARG 73 Ca 0.49 0.94 0.09 0.00 -0.52 0.00 0.00 55.73 56.74 1twh s ARG 73 Cb 0.39 -1.60 -0.04 0.00 0.52 0.00 0.00 34.95 34.22 1twh s ARG 73 CO 0.12 -3.47 -0.12 -2.00 0.02 0.00 0.00 175.30 169.86 1twh s GLU 74 N -4.53 1.98 0.27 3.54 2.12 -1.26 -4.20 118.70 116.62 1twh s GLU 74 Ca 0.68 -1.26 -0.12 0.00 0.36 0.00 0.00 54.97 54.63 1twh s GLU 74 Cb -0.24 -2.14 -0.08 0.00 0.26 0.00 0.00 34.13 31.93 1twh s GLU 74 CO 0.63 0.44 0.62 0.00 -0.54 0.00 0.00 175.26 176.41 1twh h PRO 76 N 2.42 0.11 0.00 0.00 0.11 -1.97 -3.18 132.00 129.49 1twh h PRO 76 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1twh h PRO 76 Cb 1.17 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1twh h PRO 76 CO 0.68 0.07 -0.31 0.87 -0.21 0.00 0.00 178.00 179.10 1twh h LYS 77 N 0.11 0.00 0.00 1.05 1.57 -1.98 -3.42 116.57 113.90 1twh h LYS 77 Ca 0.68 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.46 1twh h LYS 77 Cb 2.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.69 1twh h LYS 77 CO -0.16 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.72 1twh n HIS 79 N -2.73 0.00 -1.92 0.00 8.25 -1.20 -4.95 115.22 112.67 1twh n HIS 79 Ca 0.04 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.10 1twh n HIS 79 Cb 0.46 -1.32 -0.00 0.00 1.12 0.00 0.00 29.99 30.25 1twh n HIS 79 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1twh s SER 80 N -1.16 6.31 -0.40 0.41 0.15 -1.26 -4.53 113.70 113.22 1twh s SER 80 Ca 0.00 2.86 0.07 0.00 0.70 0.00 0.00 55.95 59.58 1twh s SER 80 Cb 0.00 -2.65 0.43 0.00 -1.71 0.00 0.00 66.02 62.09 1twh s SER 80 CO 0.00 -0.87 1.11 -2.11 1.20 0.00 0.00 173.24 172.57 1twh n ARG 81 N 0.30 3.20 -4.00 5.44 1.85 -1.26 -1.95 116.66 120.24 1twh n ARG 81 Ca 0.02 -4.31 -0.31 0.00 -1.00 0.00 0.00 57.85 52.25 1twh n ARG 81 Cb 0.41 -2.14 -0.15 0.00 -1.05 0.00 0.00 32.46 29.53 1twh n ARG 81 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1twh s GLU 82 N -3.51 1.44 0.24 2.89 0.41 -1.26 -4.60 118.70 114.29 1twh s GLU 82 Ca 0.46 -1.83 0.09 0.00 -0.41 0.00 0.00 54.97 53.28 1twh s GLU 82 Cb 0.41 -3.14 -0.05 0.00 -1.78 0.00 0.00 34.13 29.57 1twh s GLU 82 CO -0.13 -0.94 -0.15 -0.80 -0.49 0.00 0.00 175.26 172.75 1twh s ASN 83 N 0.94 2.90 0.11 -0.19 0.01 -1.23 0.33 114.94 117.82 1twh s ASN 83 Ca 0.11 -1.04 0.08 0.00 -0.71 0.00 0.00 52.86 51.29 1twh s ASN 83 Cb -0.19 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.24 1twh s ASN 83 CO -0.09 -0.12 -0.13 0.54 -1.51 0.00 0.00 177.10 175.79 1twh s VAL 84 N -2.84 3.18 0.13 1.60 0.11 -0.47 -3.20 120.40 118.92 1twh s VAL 84 Ca 0.25 -1.34 0.03 0.00 -2.93 0.00 0.00 61.98 57.99 1twh s VAL 84 Cb -0.02 -2.47 -0.04 0.00 -1.53 0.00 0.00 36.38 32.32 1twh s VAL 84 CO 0.10 0.12 -0.06 0.72 -3.33 0.00 0.00 175.10 172.64 1twh s PHE 85 N -1.18 1.10 0.32 1.54 -0.12 -0.73 0.14 117.98 119.05 1twh s PHE 85 Ca 0.20 -0.88 -0.06 0.00 -0.05 0.00 0.00 56.93 56.13 1twh s PHE 85 Cb -0.11 -0.61 0.01 0.00 -0.63 0.00 0.00 43.02 41.68 1twh s PHE 85 CO 0.12 -0.08 0.50 -0.59 -0.05 0.00 0.00 175.22 175.12 1twh s PHE 86 N -3.53 0.79 0.64 3.49 -0.12 -0.32 -4.28 117.98 114.66 1twh s PHE 86 Ca 0.16 -1.11 -0.08 0.00 -0.05 0.00 0.00 56.93 55.85 1twh s PHE 86 Cb 0.05 0.08 0.01 0.00 -0.63 0.00 0.00 43.02 42.52 1twh s PHE 86 CO -0.01 -1.14 0.99 -0.65 -0.05 0.00 0.00 175.22 174.36 1twh s GLN 87 N -3.21 2.91 0.12 1.99 -0.21 -1.26 -0.81 119.66 119.19 1twh s GLN 87 Ca 0.27 0.21 -0.35 0.00 0.02 0.00 0.00 55.36 55.51 1twh s GLN 87 Cb -0.01 -2.16 -0.16 0.00 1.00 0.00 0.00 33.01 31.68 1twh s GLN 87 CO 0.16 -0.83 1.41 0.45 -2.12 0.00 0.00 175.29 174.36 1twh n SER 88 N -2.76 2.13 -0.59 5.90 2.88 -1.24 -4.83 113.62 115.11 1twh n SER 88 Ca 0.05 1.11 0.08 0.00 -1.33 0.00 0.00 58.87 58.78 1twh n SER 88 Cb 0.57 -1.28 0.26 0.00 -0.75 0.00 0.00 64.21 63.02 1twh n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1twh n GLN 89 N 2.72 1.76 -1.07 -1.46 1.13 -1.03 -4.75 117.38 114.69 1twh n GLN 89 Ca 0.17 -1.16 -0.33 0.00 -1.94 0.00 0.00 57.00 53.74 1twh n GLN 89 Cb 0.23 -1.33 0.13 0.00 0.11 0.00 0.00 30.24 29.38 1twh n GLN 89 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1twh n GLN 90 N 0.41 0.12 -3.25 -1.09 6.02 -1.11 -4.85 117.38 113.63 1twh n GLN 90 Ca 0.14 0.12 -0.25 0.00 -0.01 0.00 0.00 57.00 57.00 1twh n GLN 90 Cb 0.31 -2.41 -0.07 0.00 1.02 0.00 0.00 30.24 29.09 1twh n GLN 90 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1twh n ARG 91 N -3.29 1.57 -3.83 -1.09 5.12 -1.26 -5.02 116.66 108.86 1twh n ARG 91 Ca 0.13 -3.87 -0.21 0.00 -1.93 0.00 0.00 57.85 51.98 1twh n ARG 91 Cb 0.51 -1.71 -0.02 0.00 -1.16 0.00 0.00 32.46 30.08 1twh n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1twh s ARG 92 N -1.95 3.21 0.21 5.56 3.52 -1.26 -4.98 118.95 123.26 1twh s ARG 92 Ca 0.38 -0.93 0.25 0.00 -0.13 0.00 0.00 55.73 55.30 1twh s ARG 92 Cb 0.19 -2.78 0.50 0.00 -1.56 0.00 0.00 34.95 31.30 1twh s ARG 92 CO -0.08 0.29 1.52 0.87 -0.81 0.00 0.00 175.30 177.10 1twh h LYS 93 N 1.14 0.00 -0.10 5.12 1.57 -2.03 -3.37 116.57 118.90 1twh h LYS 93 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1twh h LYS 93 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1twh h LYS 93 CO 0.58 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.06 1twh n ASP 94 N -2.38 2.10 -4.77 0.86 5.75 -1.26 -5.03 116.55 111.82 1twh n ASP 94 Ca 0.04 -1.78 -0.40 0.00 -0.01 0.00 0.00 54.79 52.65 1twh n ASP 94 Cb 0.46 -0.07 0.01 0.00 -1.03 0.00 0.00 41.12 40.49 1twh n ASP 94 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1twh s THR 95 N -0.83 2.38 1.14 2.12 -1.32 -1.26 -5.06 115.64 112.82 1twh s THR 95 Ca 0.08 0.34 -0.19 0.00 -1.21 0.00 0.00 61.69 60.71 1twh s THR 95 Cb 0.05 -3.20 0.27 0.00 -1.51 0.00 0.00 72.50 68.11 1twh s THR 95 CO 0.06 0.05 1.20 -0.94 -2.21 0.00 0.00 174.62 172.77 1twh s SER 96 N -0.66 1.47 -0.22 8.08 1.04 -1.26 -4.93 113.70 117.22 1twh s SER 96 Ca 0.59 0.42 0.14 0.00 0.48 0.00 0.00 55.95 57.58 1twh s SER 96 Cb -0.40 -0.52 0.52 0.00 0.10 0.00 0.00 66.02 65.72 1twh s SER 96 CO 0.52 -3.76 1.44 0.23 0.98 0.00 0.00 173.24 172.65 1twh n MET 97 N -4.48 2.60 -1.24 4.02 2.81 -1.26 -4.73 117.12 114.83 1twh n MET 97 Ca 0.15 -2.93 -0.32 0.00 -1.81 0.00 0.00 57.70 52.79 1twh n MET 97 Cb 0.60 -1.84 0.10 0.00 -0.71 0.00 0.00 33.22 31.36 1twh n MET 97 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1twh s VAL 98 N -2.95 2.99 0.13 2.03 0.11 -1.26 -4.93 120.40 116.51 1twh s VAL 98 Ca 0.43 0.35 0.02 0.00 -2.93 0.00 0.00 61.98 59.86 1twh s VAL 98 Cb 0.36 -2.76 -0.04 0.00 -1.53 0.00 0.00 36.38 32.42 1twh s VAL 98 CO 0.06 -0.39 0.27 -0.76 -3.33 0.00 0.00 175.10 170.95 1twh s LEU 99 N -5.83 4.33 -0.09 2.54 1.43 -1.26 -3.69 118.68 116.11 1twh s LEU 99 Ca 0.64 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.95 1twh s LEU 99 Cb -0.20 -2.91 0.01 0.00 0.03 0.00 0.00 46.19 43.12 1twh s LEU 99 CO 0.53 0.08 -0.18 -0.36 0.23 0.00 0.00 176.35 176.65 1twh s PHE 100 N -1.70 2.03 -0.01 0.29 0.40 0.01 -3.01 117.98 115.99 1twh s PHE 100 Ca 0.34 -0.83 0.01 0.00 -0.60 0.00 0.00 56.93 55.85 1twh s PHE 100 Cb -0.11 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 1twh s PHE 100 CO 0.28 -0.37 0.02 -0.06 0.70 0.00 0.00 175.22 175.79 1twh s PHE 101 N 0.57 3.13 -0.19 0.36 0.40 0.60 -1.17 117.98 121.68 1twh s PHE 101 Ca -0.15 0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.31 1twh s PHE 101 Cb -0.17 -1.70 0.04 0.00 0.51 0.00 0.00 43.02 41.70 1twh s PHE 101 CO 0.05 0.48 -0.11 0.08 0.70 0.00 0.00 175.22 176.42 1twh s VAL 102 N -1.08 1.66 0.20 -0.44 1.01 0.12 -1.00 120.40 120.86 1twh s VAL 102 Ca 0.19 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 1twh s VAL 102 Cb -0.12 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.49 1twh s VAL 102 CO 0.10 0.23 1.25 0.00 0.00 0.00 0.00 175.10 176.68 1twh n LEU 104 N 2.48 2.28 -0.12 0.00 4.77 0.15 -2.12 117.00 124.44 1twh n LEU 104 Ca 0.05 -0.96 -0.15 0.00 -0.03 0.00 0.00 56.01 54.92 1twh n LEU 104 Cb 0.44 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.40 1twh n LEU 104 CO 0.57 0.41 -1.27 -1.20 -1.33 0.00 0.00 177.39 174.56 1twh n SER 105 N 0.78 1.33 -0.07 -1.43 7.64 -1.26 -4.82 113.62 115.80 1twh n SER 105 Ca 0.09 -0.09 0.02 0.00 1.01 0.00 0.00 58.87 59.91 1twh n SER 105 Cb 0.41 0.09 -0.01 0.00 -1.01 0.00 0.00 64.21 63.69 1twh n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1twh n SER 107 N -0.64 -4.04 -4.77 0.00 3.41 -0.90 -4.97 113.62 101.71 1twh n SER 107 Ca 0.02 0.10 -0.39 0.00 -0.26 0.00 0.00 58.87 58.34 1twh n SER 107 Cb 0.09 -3.01 -0.06 0.00 -0.26 0.00 0.00 64.21 60.97 1twh n SER 107 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1twh s HIS 108 N -2.54 3.90 -0.08 7.33 5.65 -1.24 -4.74 115.29 123.57 1twh s HIS 108 Ca 0.00 1.78 0.01 0.00 0.25 0.00 0.00 55.06 57.10 1twh s HIS 108 Cb 0.00 -2.89 -0.03 0.00 -1.18 0.00 0.00 32.58 28.49 1twh s HIS 108 CO 0.00 0.44 -0.09 0.42 -0.65 0.00 0.00 174.74 174.85 1twh s ILE 109 N -1.25 3.48 0.18 0.89 1.09 -1.26 -1.05 121.20 123.28 1twh s ILE 109 Ca 0.41 -0.55 -0.08 0.00 -1.10 0.00 0.00 60.65 59.32 1twh s ILE 109 Cb -0.24 -2.42 -0.01 0.00 -1.06 0.00 0.00 42.46 38.73 1twh s ILE 109 CO 0.28 0.58 0.30 0.72 -0.10 0.00 0.00 174.94 176.72 1twh s PHE 110 N -0.54 0.50 0.38 3.97 -0.12 -0.17 -4.96 117.98 117.04 1twh s PHE 110 Ca 0.08 -0.85 0.08 0.00 -0.05 0.00 0.00 56.93 56.19 1twh s PHE 110 Cb -0.12 -0.09 -0.06 0.00 -0.63 0.00 0.00 43.02 42.12 1twh s PHE 110 CO 0.02 -0.76 0.03 0.99 -0.05 0.00 0.00 175.22 175.45 1twh s THR 111 N -4.01 2.29 -1.59 -4.49 2.01 -1.26 -0.29 115.64 108.30 1twh s THR 111 Ca 0.21 -1.97 0.06 0.00 0.31 0.00 0.00 61.69 60.31 1twh s THR 111 Cb 0.03 -2.88 0.23 0.00 0.01 0.00 0.00 72.50 69.90 1twh s THR 111 CO 0.03 -0.09 1.09 -1.54 -0.69 0.00 0.00 174.62 173.42 1twh n SER 112 N -0.99 1.70 -4.53 3.53 3.41 -1.16 -4.91 113.62 110.68 1twh n SER 112 Ca -0.04 -2.10 -0.43 0.00 -0.26 0.00 0.00 58.87 56.04 1twh n SER 112 Cb 0.64 -0.29 -0.05 0.00 -0.26 0.00 0.00 64.21 64.25 1twh n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1twh s ASP 113 N -0.75 6.37 0.07 4.04 -1.08 -1.26 -4.89 116.67 119.18 1twh s ASP 113 Ca 0.17 -0.27 0.21 0.00 -0.52 0.00 0.00 52.55 52.14 1twh s ASP 113 Cb 0.10 -2.40 0.85 0.00 -1.46 0.00 0.00 42.92 40.02 1twh s ASP 113 CO 0.09 -1.02 1.65 0.00 0.52 0.00 0.00 175.17 176.41 1twh n GLN 114 N 6.93 0.07 -2.96 4.34 6.02 -1.26 -3.18 117.38 127.34 1twh n GLN 114 Ca 0.01 0.23 -0.41 0.00 -0.01 0.00 0.00 57.00 56.82 1twh n GLN 114 Cb 0.48 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 30.13 1twh n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1twh n LYS 115 N -1.73 4.49 -2.31 -1.09 5.02 -1.26 -5.00 118.16 116.28 1twh n LYS 115 Ca 0.04 -4.60 -0.43 0.00 -2.02 0.00 0.00 58.31 51.30 1twh n LYS 115 Cb 0.25 -2.47 -0.02 0.00 -0.02 0.00 0.00 35.03 32.76 1twh n LYS 115 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1twh s ASN 116 N -1.83 6.47 -0.11 4.39 3.04 -1.19 -4.73 114.94 120.98 1twh s ASN 116 Ca 0.34 1.18 0.09 0.00 0.04 0.00 0.00 52.86 54.51 1twh s ASN 116 Cb 0.09 -2.54 -0.24 0.00 -1.54 0.00 0.00 41.25 37.03 1twh s ASN 116 CO 0.04 -1.26 0.42 1.17 -3.04 0.00 0.00 177.10 174.43 1twh n LYS 117 N 7.68 0.67 -1.69 0.43 3.00 -1.26 -4.98 118.16 122.00 1twh n LYS 117 Ca 0.16 0.22 -0.59 0.00 -0.00 0.00 0.00 58.31 58.10 1twh n LYS 117 Cb 0.47 -1.70 -0.08 0.00 0.00 0.00 0.00 35.03 33.72 1twh n LYS 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1twh n ARG 118 N -3.09 0.83 0.37 1.64 5.12 -1.26 -4.96 116.66 115.30 1twh n ARG 118 Ca -0.25 0.30 -0.18 0.00 -1.93 0.00 0.00 57.85 55.79 1twh n ARG 118 Cb 1.07 -1.93 -0.09 0.00 -1.16 0.00 0.00 32.46 30.35 1twh n ARG 118 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1twh h THR 119 N 4.83 0.28 0.00 0.55 1.35 -2.03 -3.48 112.91 114.41 1twh h THR 119 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1twh h THR 119 Cb 1.34 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1twh h THR 119 CO 0.93 0.00 0.00 1.67 -0.25 0.00 0.00 175.52 177.87 1twh n GLN 120 N -5.50 0.00 0.00 4.72 -0.06 -1.26 -5.19 117.38 110.09 1twh n GLN 120 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.87 1twh n GLN 120 Cb 0.39 -0.18 0.00 0.00 -4.06 0.00 0.00 30.24 26.39 1twh n GLN 120 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05