#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1twg s THR 2 N 0.00 2.25 -0.36 3.17 2.01 -1.26 -4.98 115.64 116.47 1twg s THR 2 Ca 0.00 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.25 1twg s THR 2 Cb 0.00 -3.16 0.13 0.00 0.01 0.00 0.00 72.50 69.49 1twg s THR 2 CO 0.00 0.05 0.20 -0.89 -0.69 0.00 0.00 174.62 173.30 1twg s THR 3 N -1.15 0.49 0.00 -0.82 2.01 -1.26 -5.10 115.64 109.81 1twg s THR 3 Ca 0.54 -1.81 0.00 0.00 0.31 0.00 0.00 61.69 60.73 1twg s THR 3 Cb -0.44 -1.36 0.00 0.00 0.01 0.00 0.00 72.50 70.71 1twg s THR 3 CO 0.58 -0.92 0.00 0.49 -0.69 0.00 0.00 174.62 174.09 1twg n PHE 4 N 4.09 0.00 -4.40 4.92 3.72 -1.26 -5.01 117.46 119.52 1twg n PHE 4 Ca 0.08 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.24 1twg n PHE 4 Cb 0.37 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.78 1twg n PHE 4 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1twg s ARG 5 N 0.00 1.19 0.09 -1.08 0.52 -1.26 -5.12 118.95 113.28 1twg s ARG 5 Ca 0.00 -1.06 0.07 0.00 -0.52 0.00 0.00 55.73 54.21 1twg s ARG 5 Cb 0.00 -1.38 -0.03 0.00 0.52 0.00 0.00 34.95 34.06 1twg s ARG 5 CO 0.00 0.33 -0.17 -0.06 0.02 0.00 0.00 175.30 175.42 1twg s PHE 6 N -1.03 1.50 0.19 -0.53 0.40 -1.26 -1.54 117.98 115.70 1twg s PHE 6 Ca 0.06 -0.44 -0.32 0.00 -0.60 0.00 0.00 56.93 55.63 1twg s PHE 6 Cb -0.09 -0.83 -0.16 0.00 0.51 0.00 0.00 43.02 42.45 1twg s PHE 6 CO 0.03 0.13 1.04 0.00 0.70 0.00 0.00 175.22 177.13 1twg h ARG 8 N 2.75 0.62 0.00 0.00 2.43 -1.99 -2.31 114.38 115.88 1twg h ARG 8 Ca -0.41 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 58.47 1twg h ARG 8 Cb 1.36 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1twg h ARG 8 CO 0.66 0.86 -0.12 -0.44 -1.51 0.00 0.00 179.97 179.42 1twg h ASP 9 N 0.36 0.00 1.30 -3.80 3.32 -2.00 -3.39 116.42 112.22 1twg h ASP 9 Ca 0.06 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1twg h ASP 9 Cb 0.69 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 1twg h ASP 9 CO 0.05 0.66 -0.70 0.00 -1.72 0.00 0.00 179.24 177.52 1twg n ASN 11 N -2.84 -4.16 -4.95 0.00 5.15 -0.87 -4.96 115.26 102.64 1twg n ASN 11 Ca 0.01 0.14 -0.21 0.00 -0.60 0.00 0.00 54.58 53.92 1twg n ASN 11 Cb 0.57 -3.07 -0.02 0.00 -0.53 0.00 0.00 39.78 36.72 1twg n ASN 11 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1twg s ASN 12 N -2.65 6.08 0.68 1.20 0.02 -1.26 -4.77 114.94 114.24 1twg s ASN 12 Ca 0.00 -0.06 -0.17 0.00 -1.02 0.00 0.00 52.86 51.61 1twg s ASN 12 Cb 0.00 -1.61 0.01 0.00 0.02 0.00 0.00 41.25 39.67 1twg s ASN 12 CO 0.00 -0.17 1.24 -0.32 0.02 0.00 0.00 177.10 177.87 1twg s MET 13 N -4.01 2.43 0.04 -0.60 1.75 -1.26 -1.58 119.30 116.08 1twg s MET 13 Ca 0.37 1.89 -0.01 0.00 -1.25 0.00 0.00 55.69 56.69 1twg s MET 13 Cb -0.09 -1.85 -0.04 0.00 2.84 0.00 0.00 34.83 35.69 1twg s MET 13 CO 0.29 -1.64 0.21 -0.51 -0.65 0.00 0.00 175.02 172.71 1twg s LEU 14 N -4.67 4.36 0.04 4.11 1.43 -0.59 -4.41 118.68 118.94 1twg s LEU 14 Ca 0.78 0.30 0.06 0.00 -1.03 0.00 0.00 54.13 54.24 1twg s LEU 14 Cb -0.32 -2.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.00 1twg s LEU 14 CO 0.41 0.19 -0.18 -0.31 0.23 0.00 0.00 176.35 176.69 1twg s TYR 15 N -1.46 1.60 0.63 0.29 1.51 -0.39 -4.76 117.35 114.77 1twg s TYR 15 Ca 0.33 -0.36 -0.17 0.00 -1.01 0.00 0.00 57.07 55.87 1twg s TYR 15 Cb -0.13 -0.96 -0.01 0.00 -0.11 0.00 0.00 41.96 40.75 1twg s TYR 15 CO 0.25 0.06 1.15 -2.14 -1.11 0.00 0.00 175.55 173.76 1twg s PRO 16 N -1.07 2.86 -0.20 -1.71 0.02 -1.26 -0.80 135.00 132.84 1twg s PRO 16 Ca 0.06 1.59 -0.19 0.00 0.02 0.00 0.00 61.00 62.48 1twg s PRO 16 Cb -0.08 -1.94 0.05 0.00 0.02 0.00 0.00 34.50 32.55 1twg s PRO 16 CO 0.01 -1.24 0.54 1.03 -0.33 0.00 0.00 177.00 177.01 1twg s ARG 17 N -3.71 0.63 -0.09 5.54 1.81 0.25 -4.87 118.95 118.52 1twg s ARG 17 Ca 0.72 0.74 -0.22 0.00 -1.72 0.00 0.00 55.73 55.24 1twg s ARG 17 Cb -0.25 0.31 -0.04 0.00 -0.45 0.00 0.00 34.95 34.53 1twg s ARG 17 CO 0.37 -0.08 0.64 -2.00 -0.68 0.00 0.00 175.30 173.55 1twg s GLU 18 N 0.26 4.39 -0.81 3.54 2.12 -1.26 -0.80 118.70 126.14 1twg s GLU 18 Ca -0.00 0.75 -0.25 0.00 0.36 0.00 0.00 54.97 55.83 1twg s GLU 18 Cb -0.04 -3.46 0.01 0.00 0.26 0.00 0.00 34.13 30.90 1twg s GLU 18 CO 0.01 0.05 1.55 0.34 -0.54 0.00 0.00 175.26 176.67 1twg s ASP 19 N 0.80 5.90 0.27 -1.70 3.68 0.32 -4.92 116.67 121.02 1twg s ASP 19 Ca 0.34 -0.57 -0.03 0.00 2.13 0.00 0.00 52.55 54.42 1twg s ASP 19 Cb -0.17 -2.56 0.39 0.00 -1.45 0.00 0.00 42.92 39.13 1twg s ASP 19 CO 0.15 -2.01 1.92 0.11 0.13 0.00 0.00 175.17 175.47 1twg h LYS 20 N 11.26 1.17 -0.37 4.34 1.57 -1.96 0.26 116.57 132.84 1twg h LYS 20 Ca -0.10 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.46 1twg h LYS 20 Cb 1.06 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1twg h LYS 20 CO 1.29 0.77 -0.39 0.93 -0.57 0.00 0.00 179.45 181.49 1twg h GLU 21 N 1.21 0.91 -0.26 3.15 5.08 -1.98 -3.32 114.58 119.37 1twg h GLU 21 Ca 0.38 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1twg h GLU 21 Cb 0.02 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1twg h GLU 21 CO -0.12 1.13 0.00 0.09 -1.00 0.00 0.00 179.01 179.11 1twg n ASN 22 N -4.05 2.65 -3.46 1.42 3.02 -0.91 -4.92 115.26 109.00 1twg n ASN 22 Ca -0.02 -1.85 -0.20 0.00 -0.03 0.00 0.00 54.58 52.47 1twg n ASN 22 Cb 0.54 -0.17 0.06 0.00 -0.61 0.00 0.00 39.78 39.61 1twg n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1twg n ASN 23 N 0.54 -4.64 -4.25 6.41 3.02 0.88 -5.03 115.26 112.20 1twg n ASN 23 Ca 0.10 -0.79 -0.14 0.00 -0.03 0.00 0.00 54.58 53.72 1twg n ASN 23 Cb 0.39 -4.56 -0.10 0.00 -0.61 0.00 0.00 39.78 34.90 1twg n ASN 23 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1twg s ARG 24 N -5.20 1.14 -0.28 3.52 0.52 -1.06 -4.99 118.95 112.59 1twg s ARG 24 Ca 0.31 -1.55 -0.15 0.00 -0.52 0.00 0.00 55.73 53.82 1twg s ARG 24 Cb -0.07 -0.29 -0.03 0.00 0.52 0.00 0.00 34.95 35.08 1twg s ARG 24 CO 0.78 -0.13 0.38 -1.17 0.02 0.00 0.00 175.30 175.17 1twg s LEU 25 N -3.19 4.09 0.11 2.53 2.96 -1.26 -0.52 118.68 123.40 1twg s LEU 25 Ca 0.25 0.23 0.06 0.00 -0.22 0.00 0.00 54.13 54.45 1twg s LEU 25 Cb 0.06 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 1twg s LEU 25 CO 0.05 -0.21 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.07 1twg s LEU 26 N 2.08 3.27 -0.31 -0.68 1.43 0.02 -1.30 118.68 123.19 1twg s LEU 26 Ca 0.15 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 1twg s LEU 26 Cb -0.16 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1twg s LEU 26 CO 0.10 0.16 0.18 -0.36 0.23 0.00 0.00 176.35 176.67 1twg s PHE 27 N -1.34 3.20 0.47 0.29 0.40 0.06 0.88 117.98 121.94 1twg s PHE 27 Ca 0.24 -0.30 0.06 0.00 -0.60 0.00 0.00 56.93 56.34 1twg s PHE 27 Cb -0.11 -2.39 -0.01 0.00 0.51 0.00 0.00 43.02 41.02 1twg s PHE 27 CO 0.17 -0.36 0.31 -1.83 0.70 0.00 0.00 175.22 174.20 1twg s GLU 28 N 1.68 2.30 0.08 0.44 -1.05 0.02 -3.00 118.70 119.16 1twg s GLU 28 Ca 0.06 -1.88 0.03 0.00 -0.15 0.00 0.00 54.97 53.02 1twg s GLU 28 Cb -0.17 -2.09 -0.04 0.00 -0.44 0.00 0.00 34.13 31.39 1twg s GLU 28 CO 0.08 -0.36 0.10 0.00 0.95 0.00 0.00 175.26 176.04 1twg n ARG 30 N 0.42 0.37 -0.09 0.00 1.74 -1.26 -4.46 116.66 113.38 1twg n ARG 30 Ca -0.08 -0.23 -0.20 0.00 -0.77 0.00 0.00 57.85 56.56 1twg n ARG 30 Cb 0.52 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.34 1twg n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1twg n THR 31 N -1.11 1.59 -3.08 0.55 -1.04 -1.26 -5.04 114.28 104.88 1twg n THR 31 Ca 0.08 -0.55 -0.14 0.00 -2.04 0.00 0.00 64.05 61.40 1twg n THR 31 Cb 0.35 -1.59 0.04 0.00 -1.82 0.00 0.00 70.33 67.30 1twg n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1twg n SER 33 N -2.49 2.40 -4.73 0.00 7.64 -1.26 -4.75 113.62 110.44 1twg n SER 33 Ca 0.10 -3.55 -0.42 0.00 1.01 0.00 0.00 58.87 56.01 1twg n SER 33 Cb 0.41 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 1twg n SER 33 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1twg s TYR 34 N -3.10 3.06 0.08 1.43 5.04 -1.26 -4.90 117.35 117.70 1twg s TYR 34 Ca 0.39 0.78 0.02 0.00 -2.44 0.00 0.00 57.07 55.82 1twg s TYR 34 Cb 0.36 -3.88 -0.04 0.00 0.35 0.00 0.00 41.96 38.75 1twg s TYR 34 CO -0.00 -3.11 -0.07 0.14 -1.34 0.00 0.00 175.55 171.17 1twg s VAL 35 N 0.78 0.65 0.13 3.14 -7.23 -1.26 -0.82 120.40 115.78 1twg s VAL 35 Ca 0.66 -1.70 -0.24 0.00 -1.81 0.00 0.00 61.98 58.89 1twg s VAL 35 Cb -0.43 -1.39 0.07 0.00 0.56 0.00 0.00 36.38 35.20 1twg s VAL 35 CO 0.35 -0.74 0.64 -1.83 -0.31 0.00 0.00 175.10 173.21 1twg s GLU 36 N -3.23 1.21 0.56 4.82 -1.05 -1.16 -5.01 118.70 114.85 1twg s GLU 36 Ca 0.06 -0.40 -0.02 0.00 -0.15 0.00 0.00 54.97 54.46 1twg s GLU 36 Cb 0.01 0.56 0.02 0.00 -0.44 0.00 0.00 34.13 34.28 1twg s GLU 36 CO -0.03 -0.52 0.82 -1.83 0.95 0.00 0.00 175.26 174.65 1twg s GLU 37 N -3.50 2.70 -0.12 -4.83 -1.05 -1.26 -0.76 118.70 109.87 1twg s GLU 37 Ca 0.01 -0.42 -0.11 0.00 -0.15 0.00 0.00 54.97 54.30 1twg s GLU 37 Cb -0.01 -2.39 -0.05 0.00 -0.44 0.00 0.00 34.13 31.24 1twg s GLU 37 CO -0.11 -0.70 0.22 0.00 0.95 0.00 0.00 175.26 175.62 1twg s ALA 38 N -2.86 3.74 0.07 -0.84 0.00 -0.42 -4.59 121.76 116.86 1twg s ALA 38 Ca 0.55 -0.53 -0.24 0.00 0.00 0.00 0.00 51.96 51.74 1twg s ALA 38 Cb -0.10 -2.19 -0.16 0.00 0.00 0.00 0.00 23.12 20.67 1twg s ALA 38 CO 0.41 0.38 1.63 0.78 0.00 0.00 0.00 175.76 178.96 1twg h GLY 39 N 5.66 -0.08 -1.49 0.00 0.00 -1.94 -3.47 103.07 101.75 1twg h GLY 39 Ca -0.48 0.03 -0.52 0.00 0.00 0.00 0.00 47.33 46.35 1twg h GLY 39 CO 0.66 -0.03 -0.54 -1.35 0.00 0.00 0.00 176.54 175.28 1twg s SER 40 N -5.22 2.59 0.00 0.19 1.04 -1.26 -5.02 113.70 106.02 1twg s SER 40 Ca -0.14 -1.59 0.20 0.00 0.48 0.00 0.00 55.95 54.90 1twg s SER 40 Cb 0.05 0.35 0.54 0.00 0.10 0.00 0.00 66.02 67.07 1twg s SER 40 CO 0.66 -0.85 1.44 -0.81 0.98 0.00 0.00 173.24 174.66 1twg n PRO 41 N -0.83 2.16 -2.78 4.02 -0.04 -1.26 -4.78 135.00 131.49 1twg n PRO 41 Ca -0.05 -1.77 -0.43 0.00 -0.04 0.00 0.00 63.50 61.21 1twg n PRO 41 Cb 0.65 -1.44 -0.04 0.00 -0.04 0.00 0.00 33.50 32.64 1twg n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1twg s LEU 42 N -1.36 3.95 -0.02 1.53 2.96 -1.26 -4.86 118.68 119.62 1twg s LEU 42 Ca 0.35 0.08 0.21 0.00 -0.22 0.00 0.00 54.13 54.56 1twg s LEU 42 Cb 0.20 -3.18 -0.29 0.00 0.50 0.00 0.00 46.19 43.41 1twg s LEU 42 CO 0.27 -1.13 0.65 0.52 -1.32 0.00 0.00 176.35 175.34 1twg n VAL 43 N 6.45 0.00 -3.64 1.68 0.31 -1.26 -4.82 118.33 117.05 1twg n VAL 43 Ca 0.06 -0.29 -0.09 0.00 -0.01 0.00 0.00 64.34 64.01 1twg n VAL 43 Cb 0.48 0.42 -0.07 0.00 -0.91 0.00 0.00 33.84 33.76 1twg n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1twg s TYR 44 N -3.29 -0.49 0.01 3.52 5.04 -1.26 -5.01 117.35 115.88 1twg s TYR 44 Ca -0.01 1.18 0.01 0.00 -2.44 0.00 0.00 57.07 55.80 1twg s TYR 44 Cb 0.15 0.36 -0.01 0.00 0.35 0.00 0.00 41.96 42.81 1twg s TYR 44 CO 0.88 -0.23 -0.03 0.50 -1.34 0.00 0.00 175.55 175.33 1twg s ARG 45 N 0.28 0.26 -0.27 4.97 6.06 -1.26 -5.06 118.95 123.93 1twg s ARG 45 Ca 0.03 -0.33 -0.01 0.00 -2.50 0.00 0.00 55.73 52.92 1twg s ARG 45 Cb -0.05 -0.11 0.13 0.00 0.06 0.00 0.00 34.95 34.98 1twg s ARG 45 CO -0.06 0.02 0.29 -1.58 -2.50 0.00 0.00 175.30 171.46 1twg s HIS 46 N -0.64 -0.45 -0.40 5.12 5.65 -1.26 -4.95 115.29 118.36 1twg s HIS 46 Ca -0.05 -0.04 -0.20 0.00 0.25 0.00 0.00 55.06 55.02 1twg s HIS 46 Cb -0.05 -0.41 0.01 0.00 -1.18 0.00 0.00 32.58 30.95 1twg s HIS 46 CO -0.00 -0.85 0.63 -1.21 -0.65 0.00 0.00 174.74 172.66 1twg s GLU 47 N 2.37 3.46 0.13 2.88 2.02 -1.26 -4.90 118.70 123.40 1twg s GLU 47 Ca 0.09 -0.19 -0.01 0.00 0.02 0.00 0.00 54.97 54.89 1twg s GLU 47 Cb -0.14 -3.88 -0.10 0.00 0.10 0.00 0.00 34.13 30.10 1twg s GLU 47 CO -0.28 -0.88 1.30 -0.07 0.02 0.00 0.00 175.26 175.35 1twg h LEU 48 N 9.54 0.36 -7.82 1.80 3.38 -2.08 -3.42 115.31 117.06 1twg h LEU 48 Ca -0.26 -0.31 -0.69 0.00 0.09 0.00 0.00 57.88 56.71 1twg h LEU 48 Cb 1.10 -0.11 -0.35 0.00 0.09 0.00 0.00 40.66 41.39 1twg h LEU 48 CO 0.86 1.14 -0.59 -0.63 0.09 0.00 0.00 178.44 179.32 1twg s ILE 49 N -3.09 3.08 0.05 1.22 1.01 -1.26 -5.05 121.20 117.17 1twg s ILE 49 Ca -0.04 -2.06 0.07 0.00 0.00 0.00 0.00 60.65 58.63 1twg s ILE 49 Cb 0.09 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 1twg s ILE 49 CO 0.85 -0.63 -0.21 0.28 0.00 0.00 0.00 174.94 175.23 1twg s THR 50 N 1.11 1.67 -1.41 2.92 -1.32 -1.26 -4.98 115.64 112.37 1twg s THR 50 Ca 0.08 -1.25 0.17 0.00 -1.21 0.00 0.00 61.69 59.47 1twg s THR 50 Cb -0.22 -1.47 -0.04 0.00 -1.51 0.00 0.00 72.50 69.27 1twg s THR 50 CO -0.05 0.16 0.85 0.59 -2.21 0.00 0.00 174.62 173.97 1twg n ASN 51 N 1.72 1.51 -4.70 8.08 4.13 -1.26 -4.91 115.26 119.83 1twg n ASN 51 Ca -0.18 -1.25 -0.42 0.00 1.68 0.00 0.00 54.58 54.41 1twg n ASN 51 Cb 0.53 0.58 -0.03 0.00 -1.54 0.00 0.00 39.78 39.32 1twg n ASN 51 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1twg s ILE 52 N -2.10 3.83 0.00 2.41 -1.09 -1.26 -1.76 121.20 121.23 1twg s ILE 52 Ca 0.13 1.24 0.00 0.00 -2.23 0.00 0.00 60.65 59.79 1twg s ILE 52 Cb 0.13 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 1twg s ILE 52 CO 0.48 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.83 1twg n GLY 53 N 3.48 0.54 0.38 6.18 0.00 -1.26 -4.92 105.19 109.60 1twg n GLY 53 Ca 0.12 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.31 1twg n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1twg h GLU 54 N 4.91 0.54 0.00 1.61 5.08 -1.67 -2.95 114.58 122.10 1twg h GLU 54 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1twg h GLU 54 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1twg h GLU 54 CO 0.00 0.36 -0.00 2.41 -1.00 0.00 0.00 179.01 180.77 1twg n THR 55 N -4.64 1.00 -1.64 1.13 -1.04 -1.26 -2.48 114.28 105.35 1twg n THR 55 Ca 0.22 -1.01 -0.63 0.00 -2.04 0.00 0.00 64.05 60.60 1twg n THR 55 Cb 0.69 0.49 -0.09 0.00 -1.82 0.00 0.00 70.33 69.60 1twg n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1twg n ALA 56 N -0.51 -0.60 0.00 2.41 0.00 -1.21 -2.82 120.51 117.77 1twg n ALA 56 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1twg n ALA 56 Cb 0.26 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1twg n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1twg n GLY 57 N 4.76 1.24 3.56 0.00 0.00 -1.26 -4.90 105.19 108.60 1twg n GLY 57 Ca 0.34 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.93 1twg n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1twg s VAL 58 N -2.00 4.30 0.20 1.61 1.01 -1.13 -4.92 120.40 119.47 1twg s VAL 58 Ca 0.00 0.76 0.11 0.00 0.00 0.00 0.00 61.98 62.85 1twg s VAL 58 Cb 0.00 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1twg s VAL 58 CO 0.00 -1.05 -0.22 -0.69 0.00 0.00 0.00 175.10 173.15 1twg s VAL 59 N 4.20 2.23 0.31 2.92 1.01 -1.26 -5.02 120.40 124.78 1twg s VAL 59 Ca 0.39 -2.08 0.06 0.00 0.00 0.00 0.00 61.98 60.35 1twg s VAL 59 Cb -0.09 -2.09 0.31 0.00 0.00 0.00 0.00 36.38 34.51 1twg s VAL 59 CO 0.26 -0.23 1.66 -0.61 0.00 0.00 0.00 175.10 176.17 1twg h GLN 60 N 3.02 0.27 -0.96 2.72 5.75 -2.03 -1.81 115.11 122.05 1twg h GLN 60 Ca -0.44 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.00 1twg h GLN 60 Cb 1.22 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.68 1twg h GLN 60 CO 0.51 0.18 0.06 -0.25 -2.65 0.00 0.00 178.83 176.68 1twg n ASP 61 N -5.14 2.50 0.28 -0.69 10.43 -1.26 -4.52 116.55 118.14 1twg n ASP 61 Ca 0.25 -2.23 0.14 0.00 2.57 0.00 0.00 54.79 55.52 1twg n ASP 61 Cb 0.77 -0.55 0.79 0.00 1.84 0.00 0.00 41.12 43.98 1twg n ASP 61 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 1twg h ILE 62 N 0.44 0.46 0.00 0.53 2.10 -1.68 -2.72 117.51 116.63 1twg h ILE 62 Ca 0.06 -0.42 0.00 0.00 1.08 0.00 0.00 64.86 65.57 1twg h ILE 62 Cb 1.05 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 38.07 1twg h ILE 62 CO 0.14 0.08 -0.42 0.61 -1.08 0.00 0.00 178.15 177.49 1twg n GLY 63 N -0.73 -1.30 0.69 8.18 0.00 -1.26 -2.56 105.19 108.21 1twg n GLY 63 Ca -0.02 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.78 1twg n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1twg n SER 64 N -1.52 2.02 -4.56 1.61 3.41 -1.03 -4.88 113.62 108.68 1twg n SER 64 Ca 0.06 -1.90 -0.42 0.00 -0.26 0.00 0.00 58.87 56.34 1twg n SER 64 Cb 0.34 -0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 64.01 1twg n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1twg s ASP 65 N -1.21 6.42 0.01 4.04 -1.08 -1.06 -4.92 116.67 118.88 1twg s ASP 65 Ca 0.29 0.08 0.29 0.00 -0.52 0.00 0.00 52.55 52.68 1twg s ASP 65 Cb 0.15 -2.34 1.18 0.00 -1.46 0.00 0.00 42.92 40.46 1twg s ASP 65 CO 0.21 -0.66 1.90 -0.81 0.52 0.00 0.00 175.17 176.34 1twg n PRO 66 N 6.16 0.02 0.00 4.34 -0.04 -1.26 -2.80 135.00 141.42 1twg n PRO 66 Ca -0.01 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.59 1twg n PRO 66 Cb 0.48 -1.52 0.66 0.00 -0.04 0.00 0.00 33.50 33.09 1twg n PRO 66 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1twg n THR 67 N -1.55 0.14 -3.83 0.52 -2.24 -1.26 -4.88 114.28 101.18 1twg n THR 67 Ca 0.07 0.03 -0.36 0.00 -2.27 0.00 0.00 64.05 61.52 1twg n THR 67 Cb 0.35 -0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 67.86 1twg n THR 67 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1twg s LEU 68 N -2.30 4.34 0.68 3.22 1.43 -1.12 -5.01 118.68 119.91 1twg s LEU 68 Ca 0.29 0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 53.67 1twg s LEU 68 Cb 0.16 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 44.31 1twg s LEU 68 CO 0.32 0.34 1.08 -2.16 0.23 0.00 0.00 176.35 176.16 1twg s PRO 69 N -0.61 2.83 0.06 1.29 0.04 -1.26 -4.86 135.00 132.48 1twg s PRO 69 Ca 0.13 1.16 0.08 0.00 0.04 0.00 0.00 61.00 62.41 1twg s PRO 69 Cb -0.12 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1twg s PRO 69 CO 0.02 -1.20 -0.23 1.03 0.04 0.00 0.00 177.00 176.66 1twg s ARG 70 N -4.58 1.52 0.28 4.56 0.52 -1.26 -1.57 118.95 118.41 1twg s ARG 70 Ca 0.62 -1.06 0.05 0.00 -0.52 0.00 0.00 55.73 54.82 1twg s ARG 70 Cb -0.17 -1.70 -0.06 0.00 0.52 0.00 0.00 34.95 33.55 1twg s ARG 70 CO 0.48 0.43 -0.01 -1.54 0.02 0.00 0.00 175.30 174.69 1twg s SER 71 N -1.34 2.33 -0.23 0.23 1.04 -0.94 -4.97 113.70 109.82 1twg s SER 71 Ca 0.10 -1.25 0.09 0.00 0.48 0.00 0.00 55.95 55.36 1twg s SER 71 Cb -0.09 -0.08 0.63 0.00 0.10 0.00 0.00 66.02 66.57 1twg s SER 71 CO 0.02 -0.48 1.55 -0.90 0.98 0.00 0.00 173.24 174.42 1twg n ASP 72 N -0.56 4.54 -4.63 7.02 5.75 -1.26 -3.63 116.55 123.79 1twg n ASP 72 Ca -0.04 -2.87 -0.34 0.00 -0.01 0.00 0.00 54.79 51.53 1twg n ASP 72 Cb 0.64 -0.68 0.12 0.00 -1.03 0.00 0.00 41.12 40.17 1twg n ASP 72 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1twg n ARG 73 N 0.21 0.17 -4.38 0.11 1.74 -1.26 -4.85 116.66 108.40 1twg n ARG 73 Ca 0.28 0.13 -0.33 0.00 -0.77 0.00 0.00 57.85 57.16 1twg n ARG 73 Cb 1.11 -2.28 -0.10 0.00 -1.02 0.00 0.00 32.46 30.18 1twg n ARG 73 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1twg s GLU 74 N -3.82 2.69 0.27 5.56 2.12 -1.26 -4.23 118.70 120.04 1twg s GLU 74 Ca 0.71 -0.65 -0.26 0.00 0.36 0.00 0.00 54.97 55.13 1twg s GLU 74 Cb -0.30 -2.60 -0.09 0.00 0.26 0.00 0.00 34.13 31.41 1twg s GLU 74 CO 0.53 0.62 0.89 0.00 -0.54 0.00 0.00 175.26 176.77 1twg h PRO 76 N 3.56 0.00 0.00 0.00 0.11 -1.98 -3.27 132.00 130.42 1twg h PRO 76 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 1twg h PRO 76 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1twg h PRO 76 CO 0.66 0.00 -1.17 1.17 -0.21 0.00 0.00 178.00 178.45 1twg n LYS 77 N -3.25 0.53 0.14 1.05 4.81 -1.26 -4.73 118.16 115.46 1twg n LYS 77 Ca 0.16 0.23 0.13 0.00 -0.87 0.00 0.00 58.31 57.96 1twg n LYS 77 Cb 1.23 -1.45 0.34 0.00 0.02 0.00 0.00 35.03 35.18 1twg n LYS 77 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1twg n HIS 79 N -2.49 0.00 -1.52 0.00 8.25 -1.23 -4.96 115.22 113.26 1twg n HIS 79 Ca 0.05 0.00 -0.54 0.00 -0.26 0.00 0.00 57.72 56.97 1twg n HIS 79 Cb 0.46 -1.10 -0.06 0.00 1.12 0.00 0.00 29.99 30.40 1twg n HIS 79 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1twg n SER 80 N 0.29 0.48 -2.44 0.41 2.88 -1.26 -4.53 113.62 109.44 1twg n SER 80 Ca 0.00 1.14 -0.29 0.00 -1.33 0.00 0.00 58.87 58.40 1twg n SER 80 Cb 0.08 -1.04 0.01 0.00 -0.75 0.00 0.00 64.21 62.51 1twg n SER 80 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1twg n ARG 81 N 1.72 3.32 -3.99 -1.46 1.74 -1.26 -1.11 116.66 115.61 1twg n ARG 81 Ca 0.18 -4.22 -0.31 0.00 -0.77 0.00 0.00 57.85 52.74 1twg n ARG 81 Cb 0.16 -2.26 -0.15 0.00 -1.02 0.00 0.00 32.46 29.19 1twg n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1twg s GLU 82 N -3.65 1.65 0.15 5.56 0.41 -1.26 -4.54 118.70 117.02 1twg s GLU 82 Ca 0.50 -2.14 0.10 0.00 -0.41 0.00 0.00 54.97 53.03 1twg s GLU 82 Cb 0.41 -3.24 -0.04 0.00 -1.78 0.00 0.00 34.13 29.48 1twg s GLU 82 CO -0.17 -1.00 -0.23 -0.80 -0.49 0.00 0.00 175.26 172.58 1twg s ASN 83 N 0.49 3.01 0.14 -0.19 0.01 -1.24 -0.03 114.94 117.13 1twg s ASN 83 Ca 0.13 -0.80 0.07 0.00 -0.71 0.00 0.00 52.86 51.56 1twg s ASN 83 Cb -0.21 -0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.21 1twg s ASN 83 CO -0.05 0.08 -0.07 0.54 -1.51 0.00 0.00 177.10 176.09 1twg s VAL 84 N -1.50 3.45 0.05 1.60 0.11 0.50 -2.22 120.40 122.39 1twg s VAL 84 Ca 0.15 -1.40 0.02 0.00 -2.93 0.00 0.00 61.98 57.82 1twg s VAL 84 Cb -0.08 -2.67 -0.02 0.00 -1.53 0.00 0.00 36.38 32.07 1twg s VAL 84 CO 0.07 -0.01 -0.08 0.72 -3.33 0.00 0.00 175.10 172.47 1twg s PHE 85 N -1.49 0.72 0.19 1.54 -0.12 -0.61 -1.00 117.98 117.22 1twg s PHE 85 Ca 0.24 -0.50 -0.11 0.00 -0.05 0.00 0.00 56.93 56.51 1twg s PHE 85 Cb -0.10 -0.43 -0.00 0.00 -0.63 0.00 0.00 43.02 41.86 1twg s PHE 85 CO 0.16 -0.07 0.36 -0.59 -0.05 0.00 0.00 175.22 175.03 1twg s PHE 86 N -1.38 0.34 0.67 3.49 -0.12 0.21 -4.20 117.98 116.99 1twg s PHE 86 Ca -0.09 -0.69 -0.02 0.00 -0.05 0.00 0.00 56.93 56.07 1twg s PHE 86 Cb -0.10 0.05 0.08 0.00 -0.63 0.00 0.00 43.02 42.42 1twg s PHE 86 CO 0.01 -0.81 0.94 -0.65 -0.05 0.00 0.00 175.22 174.65 1twg s GLN 87 N -3.97 2.06 0.13 1.99 -0.21 -1.26 -0.63 119.66 117.78 1twg s GLN 87 Ca 0.18 -0.75 -0.35 0.00 0.02 0.00 0.00 55.36 54.46 1twg s GLN 87 Cb 0.02 -2.32 -0.15 0.00 1.00 0.00 0.00 33.01 31.56 1twg s GLN 87 CO 0.02 -1.18 1.51 0.45 -2.12 0.00 0.00 175.29 173.97 1twg n SER 88 N -2.72 2.64 -0.26 5.90 2.88 -1.26 -4.85 113.62 115.95 1twg n SER 88 Ca 0.11 1.09 0.13 0.00 -1.33 0.00 0.00 58.87 58.88 1twg n SER 88 Cb 0.60 -1.35 0.65 0.00 -0.75 0.00 0.00 64.21 63.36 1twg n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1twg n GLN 89 N 3.18 1.35 -0.67 -1.46 1.13 -1.03 -4.81 117.38 115.06 1twg n GLN 89 Ca 0.17 -0.51 -0.32 0.00 -1.94 0.00 0.00 57.00 54.40 1twg n GLN 89 Cb 0.26 -1.45 0.17 0.00 0.11 0.00 0.00 30.24 29.33 1twg n GLN 89 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1twg n GLN 90 N -0.35 -1.53 -3.47 -1.09 6.02 -1.12 -4.84 117.38 111.00 1twg n GLN 90 Ca 0.20 -0.42 -0.28 0.00 -0.01 0.00 0.00 57.00 56.48 1twg n GLN 90 Cb 0.22 -1.76 -0.11 0.00 1.02 0.00 0.00 30.24 29.61 1twg n GLN 90 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1twg s ARG 91 N -3.55 0.78 0.12 -1.09 1.81 -1.26 -5.02 118.95 110.74 1twg s ARG 91 Ca 0.57 -1.70 0.10 0.00 -1.72 0.00 0.00 55.73 52.98 1twg s ARG 91 Cb -0.14 -1.49 -0.04 0.00 -0.45 0.00 0.00 34.95 32.83 1twg s ARG 91 CO 0.66 -1.27 -0.22 1.03 -0.68 0.00 0.00 175.30 174.82 1twg s ARG 92 N 0.61 1.63 0.24 3.54 0.52 -1.26 -4.96 118.95 119.27 1twg s ARG 92 Ca 0.23 -1.24 -0.04 0.00 -0.52 0.00 0.00 55.73 54.16 1twg s ARG 92 Cb -0.14 -2.02 0.28 0.00 0.52 0.00 0.00 34.95 33.59 1twg s ARG 92 CO -0.06 0.47 1.76 0.87 0.02 0.00 0.00 175.30 178.36 1twg h LYS 93 N 3.89 0.92 -0.07 3.54 1.57 -2.03 -3.36 116.57 121.03 1twg h LYS 93 Ca -0.50 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.05 1twg h LYS 93 Cb 1.17 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1twg h LYS 93 CO 0.43 0.86 0.00 -0.40 -0.57 0.00 0.00 179.45 179.76 1twg n ASP 94 N -4.23 2.11 -4.71 0.86 5.75 -1.26 -4.99 116.55 110.07 1twg n ASP 94 Ca 0.04 -1.56 -0.38 0.00 -0.01 0.00 0.00 54.79 52.87 1twg n ASP 94 Cb 0.27 -0.04 0.05 0.00 -1.03 0.00 0.00 41.12 40.37 1twg n ASP 94 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1twg n THR 95 N 0.63 3.89 -2.46 2.12 -1.04 -1.26 -5.09 114.28 111.07 1twg n THR 95 Ca 0.07 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.05 61.35 1twg n THR 95 Cb 0.31 -1.53 0.05 0.00 -1.82 0.00 0.00 70.33 67.33 1twg n THR 95 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1twg s SER 96 N -1.01 5.15 -0.31 8.00 1.04 -1.26 -4.95 113.70 120.35 1twg s SER 96 Ca 0.73 0.26 0.10 0.00 0.48 0.00 0.00 55.95 57.52 1twg s SER 96 Cb -0.42 -1.08 0.62 0.00 0.10 0.00 0.00 66.02 65.24 1twg s SER 96 CO 0.48 -1.30 1.65 0.23 0.98 0.00 0.00 173.24 175.29 1twg n MET 97 N -2.59 2.73 -1.22 4.02 2.81 -1.26 -4.68 117.12 116.93 1twg n MET 97 Ca 0.07 -3.06 -0.34 0.00 -1.81 0.00 0.00 57.70 52.56 1twg n MET 97 Cb 0.60 -2.02 0.11 0.00 -0.71 0.00 0.00 33.22 31.20 1twg n MET 97 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 1twg n VAL 98 N -0.70 2.45 -3.72 2.03 3.14 -1.26 -4.96 118.33 115.30 1twg n VAL 98 Ca 0.39 -0.28 -0.37 0.00 -2.96 0.00 0.00 64.34 61.11 1twg n VAL 98 Cb 1.24 -1.17 -0.06 0.00 -1.06 0.00 0.00 33.84 32.79 1twg n VAL 98 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1twg s LEU 99 N -4.59 4.40 -0.10 6.55 1.43 -1.26 -4.02 118.68 121.08 1twg s LEU 99 Ca 0.74 0.62 0.01 0.00 -1.03 0.00 0.00 54.13 54.47 1twg s LEU 99 Cb -0.31 -2.26 0.02 0.00 0.03 0.00 0.00 46.19 43.66 1twg s LEU 99 CO 0.50 0.35 -0.14 -0.36 0.23 0.00 0.00 176.35 176.93 1twg s PHE 100 N -0.85 1.83 -0.02 0.29 0.40 0.20 -2.48 117.98 117.35 1twg s PHE 100 Ca 0.18 -0.85 0.01 0.00 -0.60 0.00 0.00 56.93 55.66 1twg s PHE 100 Cb -0.14 -1.35 -0.04 0.00 0.51 0.00 0.00 43.02 42.01 1twg s PHE 100 CO 0.07 -0.46 0.00 -0.06 0.70 0.00 0.00 175.22 175.47 1twg s PHE 101 N 1.06 3.11 -0.20 0.36 0.40 -0.09 -0.62 117.98 122.00 1twg s PHE 101 Ca -0.06 0.11 -0.01 0.00 -0.60 0.00 0.00 56.93 56.38 1twg s PHE 101 Cb -0.15 -1.70 0.06 0.00 0.51 0.00 0.00 43.02 41.73 1twg s PHE 101 CO -0.02 0.47 -0.01 0.08 0.70 0.00 0.00 175.22 176.43 1twg s VAL 102 N -1.04 0.96 0.09 -0.44 1.01 -0.17 -2.03 120.40 118.78 1twg s VAL 102 Ca 0.18 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 61.09 1twg s VAL 102 Cb -0.11 -1.31 -0.07 0.00 0.00 0.00 0.00 36.38 34.88 1twg s VAL 102 CO 0.08 -0.09 1.41 0.00 0.00 0.00 0.00 175.10 176.50 1twg n LEU 104 N 4.35 2.69 -0.05 0.00 4.77 0.96 -2.70 117.00 127.01 1twg n LEU 104 Ca 0.12 -0.95 -0.18 0.00 -0.03 0.00 0.00 56.01 54.97 1twg n LEU 104 Cb 0.42 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.38 1twg n LEU 104 CO 0.59 0.46 -0.99 -1.20 -1.33 0.00 0.00 177.39 174.92 1twg n SER 105 N 1.00 1.73 0.00 -1.43 7.64 -1.26 -4.81 113.62 116.49 1twg n SER 105 Ca 0.12 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1twg n SER 105 Cb 0.54 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1twg n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1twg n SER 107 N -0.56 -4.99 -4.82 0.00 3.41 -1.10 -4.99 113.62 100.57 1twg n SER 107 Ca 0.00 0.09 -0.37 0.00 -0.26 0.00 0.00 58.87 58.34 1twg n SER 107 Cb 0.02 -4.20 -0.06 0.00 -0.26 0.00 0.00 64.21 59.71 1twg n SER 107 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1twg s HIS 108 N -2.83 3.69 -0.20 7.33 5.65 -1.25 -4.67 115.29 123.00 1twg s HIS 108 Ca 0.00 1.24 -0.07 0.00 0.25 0.00 0.00 55.06 56.48 1twg s HIS 108 Cb 0.00 -2.49 -0.04 0.00 -1.18 0.00 0.00 32.58 28.87 1twg s HIS 108 CO 0.00 0.45 0.05 0.42 -0.65 0.00 0.00 174.74 175.01 1twg s ILE 109 N -1.37 4.52 0.01 0.89 1.09 -1.26 -0.79 121.20 124.28 1twg s ILE 109 Ca 0.37 -0.12 -0.04 0.00 -1.10 0.00 0.00 60.65 59.76 1twg s ILE 109 Cb -0.17 -3.05 -0.01 0.00 -1.06 0.00 0.00 42.46 38.17 1twg s ILE 109 CO 0.20 0.42 0.05 0.72 -0.10 0.00 0.00 174.94 176.24 1twg s PHE 110 N 0.77 0.14 0.15 3.97 -0.12 -0.86 -4.97 117.98 117.06 1twg s PHE 110 Ca 0.03 -0.31 0.03 0.00 -0.05 0.00 0.00 56.93 56.63 1twg s PHE 110 Cb -0.14 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 1twg s PHE 110 CO 0.02 -0.23 0.22 0.99 -0.05 0.00 0.00 175.22 176.18 1twg s THR 111 N -1.36 4.99 -1.45 -4.49 2.01 -1.26 -0.91 115.64 113.18 1twg s THR 111 Ca -0.15 -0.84 0.16 0.00 0.31 0.00 0.00 61.69 61.17 1twg s THR 111 Cb -0.08 -3.56 0.28 0.00 0.01 0.00 0.00 72.50 69.14 1twg s THR 111 CO 0.00 -0.09 1.44 -1.54 -0.69 0.00 0.00 174.62 173.74 1twg n SER 112 N -0.45 0.00 -4.55 3.53 3.41 -1.04 -4.87 113.62 109.66 1twg n SER 112 Ca -0.07 0.05 -0.34 0.00 -0.26 0.00 0.00 58.87 58.24 1twg n SER 112 Cb 0.54 -0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 64.17 1twg n SER 112 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1twg n ASP 113 N -1.28 2.07 0.05 4.04 -0.08 -1.26 -4.88 116.55 115.20 1twg n ASP 113 Ca 0.07 -0.56 0.19 0.00 -1.51 0.00 0.00 54.79 52.99 1twg n ASP 113 Cb 0.12 -1.53 0.71 0.00 2.34 0.00 0.00 41.12 42.76 1twg n ASP 113 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1twg h GLN 114 N 18.31 0.00 -2.01 -0.67 4.20 -2.02 -3.07 115.11 129.86 1twg h GLN 114 Ca -0.20 0.00 -0.72 0.00 0.06 0.00 0.00 58.65 57.79 1twg h GLN 114 Cb 1.25 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 28.78 1twg h GLN 114 CO 1.17 0.00 0.95 1.63 -0.67 0.00 0.00 178.83 181.91 1twg n LYS 115 N -4.26 2.78 -2.02 1.46 5.02 -1.26 -4.98 118.16 114.90 1twg n LYS 115 Ca 0.08 -3.33 -0.43 0.00 -2.02 0.00 0.00 58.31 52.61 1twg n LYS 115 Cb 0.55 -2.26 -0.03 0.00 -0.02 0.00 0.00 35.03 33.28 1twg n LYS 115 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1twg s ASN 116 N -0.80 5.95 -0.18 4.39 3.04 -1.16 -4.85 114.94 121.32 1twg s ASN 116 Ca 0.53 1.30 0.01 0.00 0.04 0.00 0.00 52.86 54.74 1twg s ASN 116 Cb 0.42 -2.53 -0.22 0.00 -1.54 0.00 0.00 41.25 37.39 1twg s ASN 116 CO -0.37 -1.67 0.09 0.29 -3.04 0.00 0.00 177.10 172.41 1twg n LYS 117 N 8.38 0.69 -1.71 0.43 4.01 -1.26 -5.03 118.16 123.67 1twg n LYS 117 Ca 0.22 0.19 -0.62 0.00 -0.51 0.00 0.00 58.31 57.59 1twg n LYS 117 Cb 0.47 -1.61 -0.08 0.00 -0.51 0.00 0.00 35.03 33.29 1twg n LYS 117 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1twg n ARG 118 N -3.27 0.58 -0.00 1.97 5.12 -1.26 -4.98 116.66 114.81 1twg n ARG 118 Ca -0.37 0.21 -0.17 0.00 -1.93 0.00 0.00 57.85 55.59 1twg n ARG 118 Cb 1.03 -1.80 -0.11 0.00 -1.16 0.00 0.00 32.46 30.42 1twg n ARG 118 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1twg h THR 119 N 4.94 1.48 0.00 0.55 2.02 -2.04 -3.47 112.91 116.39 1twg h THR 119 Ca -0.46 -2.07 0.00 0.00 0.77 0.00 0.00 66.41 64.65 1twg h THR 119 Cb 1.35 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 70.46 1twg h THR 119 CO 0.95 0.59 0.00 0.00 0.37 0.00 0.00 175.52 177.43 1twg n GLN 120 N -4.31 0.00 0.00 6.66 3.00 -1.26 -5.20 117.38 116.27 1twg n GLN 120 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1twg n GLN 120 Cb 0.63 -0.23 0.00 0.00 0.00 0.00 0.00 30.24 30.64 1twg n GLN 120 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25