#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1twc n THR 2 N 0.00 1.39 -3.78 2.03 -1.04 -1.26 -5.01 114.28 106.61 1twc n THR 2 Ca 0.00 -0.35 -0.29 0.00 -2.04 0.00 0.00 64.05 61.37 1twc n THR 2 Cb 0.00 -1.80 -0.13 0.00 -1.82 0.00 0.00 70.33 66.58 1twc n THR 2 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1twc s THR 3 N -0.45 1.85 0.00 12.58 2.01 -1.26 -5.12 115.64 125.25 1twc s THR 3 Ca 0.61 -2.97 0.00 0.00 0.31 0.00 0.00 61.69 59.64 1twc s THR 3 Cb -0.53 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 69.70 1twc s THR 3 CO 0.54 -0.90 0.00 0.49 -0.69 0.00 0.00 174.62 174.07 1twc n PHE 4 N 3.21 0.00 -4.34 4.92 3.72 -1.26 -5.03 117.46 118.68 1twc n PHE 4 Ca 0.10 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.27 1twc n PHE 4 Cb 0.35 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.76 1twc n PHE 4 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1twc s ARG 5 N 0.00 1.09 0.06 -1.08 0.52 -1.26 -5.09 118.95 113.18 1twc s ARG 5 Ca 0.00 -1.02 0.08 0.00 -0.52 0.00 0.00 55.73 54.27 1twc s ARG 5 Cb 0.00 -1.23 -0.03 0.00 0.52 0.00 0.00 34.95 34.21 1twc s ARG 5 CO 0.00 0.29 -0.22 -0.06 0.02 0.00 0.00 175.30 175.33 1twc s PHE 6 N -1.07 1.94 0.10 -0.53 0.40 -1.26 -1.51 117.98 116.06 1twc s PHE 6 Ca 0.04 -0.39 -0.36 0.00 -0.60 0.00 0.00 56.93 55.62 1twc s PHE 6 Cb -0.09 -1.13 -0.16 0.00 0.51 0.00 0.00 43.02 42.14 1twc s PHE 6 CO 0.03 0.14 1.32 0.00 0.70 0.00 0.00 175.22 177.42 1twc h ARG 8 N 4.43 1.11 0.00 0.00 2.43 -1.99 -0.51 114.38 119.85 1twc h ARG 8 Ca -0.47 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 58.53 1twc h ARG 8 Cb 1.33 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1twc h ARG 8 CO 0.77 0.88 -0.08 -0.44 -1.51 0.00 0.00 179.97 179.59 1twc h ASP 9 N 1.09 0.00 0.99 -3.80 3.32 -1.99 -3.40 116.42 112.63 1twc h ASP 9 Ca 0.26 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1twc h ASP 9 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1twc h ASP 9 CO -0.03 0.56 -0.57 0.00 -1.72 0.00 0.00 179.24 177.48 1twc n ASN 11 N -2.23 -4.81 -4.97 0.00 5.15 -0.20 -4.96 115.26 103.24 1twc n ASN 11 Ca 0.03 -0.18 -0.18 0.00 -0.60 0.00 0.00 54.58 53.65 1twc n ASN 11 Cb 0.45 -3.96 -0.00 0.00 -0.53 0.00 0.00 39.78 35.74 1twc n ASN 11 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1twc s ASN 12 N -2.48 5.63 0.53 1.20 0.02 -1.26 -4.80 114.94 113.79 1twc s ASN 12 Ca 0.23 -0.41 -0.18 0.00 -1.02 0.00 0.00 52.86 51.48 1twc s ASN 12 Cb -0.11 -0.82 -0.07 0.00 0.02 0.00 0.00 41.25 40.27 1twc s ASN 12 CO 0.28 -0.63 1.02 -0.32 0.02 0.00 0.00 177.10 177.48 1twc s MET 13 N -4.25 3.71 -0.08 -0.60 1.75 -1.26 -1.48 119.30 117.09 1twc s MET 13 Ca 0.50 1.18 -0.07 0.00 -1.25 0.00 0.00 55.69 56.05 1twc s MET 13 Cb -0.09 -2.09 -0.04 0.00 2.84 0.00 0.00 34.83 35.45 1twc s MET 13 CO 0.31 -0.48 0.18 -0.51 -0.65 0.00 0.00 175.02 173.87 1twc s LEU 14 N -3.96 4.39 0.11 4.11 1.43 -0.57 -4.40 118.68 119.79 1twc s LEU 14 Ca 0.63 0.51 0.09 0.00 -1.03 0.00 0.00 54.13 54.33 1twc s LEU 14 Cb -0.14 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1twc s LEU 14 CO 0.28 0.37 -0.20 -0.31 0.23 0.00 0.00 176.35 176.72 1twc s TYR 15 N -1.10 2.49 0.48 0.29 1.51 -0.45 -4.80 117.35 115.78 1twc s TYR 15 Ca 0.19 -0.29 -0.20 0.00 -1.01 0.00 0.00 57.07 55.75 1twc s TYR 15 Cb -0.13 -1.34 -0.09 0.00 -0.11 0.00 0.00 41.96 40.29 1twc s TYR 15 CO 0.08 0.35 1.03 -2.14 -1.11 0.00 0.00 175.55 173.76 1twc s PRO 16 N -2.01 3.84 -0.16 -1.71 0.02 -1.26 -1.41 135.00 132.31 1twc s PRO 16 Ca 0.17 1.33 -0.12 0.00 0.02 0.00 0.00 61.00 62.40 1twc s PRO 16 Cb -0.10 -2.10 0.05 0.00 0.02 0.00 0.00 34.50 32.36 1twc s PRO 16 CO 0.08 -0.39 0.41 1.03 -0.33 0.00 0.00 177.00 177.80 1twc s ARG 17 N -3.25 0.43 -0.00 5.54 1.81 0.95 -4.85 118.95 119.59 1twc s ARG 17 Ca 0.67 0.68 -0.20 0.00 -1.72 0.00 0.00 55.73 55.16 1twc s ARG 17 Cb -0.15 0.10 -0.05 0.00 -0.45 0.00 0.00 34.95 34.39 1twc s ARG 17 CO 0.19 -0.11 0.57 -2.00 -0.68 0.00 0.00 175.30 173.28 1twc s GLU 18 N 0.82 4.28 -0.91 3.54 2.12 -1.26 -0.74 118.70 126.55 1twc s GLU 18 Ca -0.05 0.69 -0.24 0.00 0.36 0.00 0.00 54.97 55.73 1twc s GLU 18 Cb -0.06 -3.33 0.03 0.00 0.26 0.00 0.00 34.13 31.03 1twc s GLU 18 CO -0.06 0.42 1.50 0.34 -0.54 0.00 0.00 175.26 176.92 1twc s ASP 19 N -0.33 6.14 0.30 -1.70 3.68 0.18 -4.92 116.67 120.02 1twc s ASP 19 Ca 0.30 -0.98 0.05 0.00 2.13 0.00 0.00 52.55 54.06 1twc s ASP 19 Cb -0.18 -2.56 0.72 0.00 -1.45 0.00 0.00 42.92 39.44 1twc s ASP 19 CO 0.17 -1.82 1.79 0.11 0.13 0.00 0.00 175.17 175.55 1twc h LYS 20 N 10.40 0.78 0.01 4.34 1.57 -1.95 -1.46 116.57 130.25 1twc h LYS 20 Ca 0.04 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.56 1twc h LYS 20 Cb 1.03 -0.17 0.02 0.00 0.08 0.00 0.00 32.23 33.18 1twc h LYS 20 CO 1.35 0.51 -0.81 0.93 -0.57 0.00 0.00 179.45 180.87 1twc h GLU 21 N 0.80 0.52 -0.10 3.15 5.08 -1.96 -3.31 114.58 118.76 1twc h GLU 21 Ca 0.56 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1twc h GLU 21 Cb 0.83 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1twc h GLU 21 CO -0.35 1.21 0.00 0.09 -1.00 0.00 0.00 179.01 178.96 1twc n ASN 22 N -4.06 2.34 -3.10 1.42 3.02 -1.07 -4.95 115.26 108.86 1twc n ASN 22 Ca -0.11 -1.66 -0.13 0.00 -0.03 0.00 0.00 54.58 52.65 1twc n ASN 22 Cb 0.77 -0.06 0.06 0.00 -0.61 0.00 0.00 39.78 39.94 1twc n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1twc n ASN 23 N 0.76 -6.34 -4.08 6.41 3.02 -0.57 -5.03 115.26 109.42 1twc n ASN 23 Ca 0.09 -0.62 -0.07 0.00 -0.03 0.00 0.00 54.58 53.95 1twc n ASN 23 Cb 0.36 -4.85 -0.10 0.00 -0.61 0.00 0.00 39.78 34.59 1twc n ASN 23 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1twc s ARG 24 N -4.21 0.59 -0.27 3.52 0.52 -1.16 -5.00 118.95 112.95 1twc s ARG 24 Ca 0.40 -1.18 -0.20 0.00 -0.52 0.00 0.00 55.73 54.23 1twc s ARG 24 Cb -0.05 0.20 -0.02 0.00 0.52 0.00 0.00 34.95 35.61 1twc s ARG 24 CO 0.68 -0.11 0.62 -1.17 0.02 0.00 0.00 175.30 175.34 1twc s LEU 25 N -2.84 4.08 -0.01 2.53 2.96 -1.26 0.47 118.68 124.61 1twc s LEU 25 Ca 0.06 0.61 0.04 0.00 -0.22 0.00 0.00 54.13 54.62 1twc s LEU 25 Cb 0.07 -2.82 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 1twc s LEU 25 CO -0.09 -0.39 -0.10 -0.76 -1.32 0.00 0.00 176.35 173.69 1twc s LEU 26 N 2.51 3.00 -0.24 -0.68 1.43 0.08 0.16 118.68 124.94 1twc s LEU 26 Ca 0.25 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 1twc s LEU 26 Cb -0.15 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 1twc s LEU 26 CO 0.09 0.30 0.23 -0.36 0.23 0.00 0.00 176.35 176.85 1twc s PHE 27 N -0.91 3.31 0.32 0.29 0.40 0.63 -0.04 117.98 121.99 1twc s PHE 27 Ca 0.15 0.31 0.08 0.00 -0.60 0.00 0.00 56.93 56.87 1twc s PHE 27 Cb -0.11 -2.36 -0.04 0.00 0.51 0.00 0.00 43.02 41.02 1twc s PHE 27 CO 0.05 -0.01 0.19 -1.83 0.70 0.00 0.00 175.22 174.32 1twc s GLU 28 N 1.30 2.55 0.02 0.44 -1.05 -0.50 -2.55 118.70 118.91 1twc s GLU 28 Ca 0.10 -1.39 -0.06 0.00 -0.15 0.00 0.00 54.97 53.48 1twc s GLU 28 Cb -0.14 -2.33 -0.05 0.00 -0.44 0.00 0.00 34.13 31.17 1twc s GLU 28 CO 0.07 0.15 0.27 0.00 0.95 0.00 0.00 175.26 176.70 1twc n ARG 30 N 0.95 2.50 -0.01 0.00 1.74 -1.26 -4.38 116.66 116.20 1twc n ARG 30 Ca -0.10 -2.21 -0.01 0.00 -0.77 0.00 0.00 57.85 54.76 1twc n ARG 30 Cb 0.53 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 30.44 1twc n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1twc n THR 31 N 1.24 0.18 -3.69 0.55 -1.04 -1.26 -5.03 114.28 105.24 1twc n THR 31 Ca 0.20 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1twc n THR 31 Cb 0.54 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 1twc n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1twc n SER 33 N -1.05 3.43 -4.77 0.00 7.64 -1.26 -4.70 113.62 112.91 1twc n SER 33 Ca 0.00 -3.04 -0.38 0.00 1.01 0.00 0.00 58.87 56.46 1twc n SER 33 Cb 0.00 -0.51 -0.01 0.00 -1.01 0.00 0.00 64.21 62.68 1twc n SER 33 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1twc s TYR 34 N -2.85 2.89 0.05 1.43 5.04 -1.26 -4.87 117.35 117.78 1twc s TYR 34 Ca 0.39 1.51 -0.13 0.00 -2.44 0.00 0.00 57.07 56.41 1twc s TYR 34 Cb 0.32 -3.45 0.02 0.00 0.35 0.00 0.00 41.96 39.20 1twc s TYR 34 CO 0.07 -1.62 0.29 0.14 -1.34 0.00 0.00 175.55 173.09 1twc s VAL 35 N -1.45 0.09 0.07 3.14 -7.23 -1.26 -1.56 120.40 112.20 1twc s VAL 35 Ca 0.61 -0.74 -0.19 0.00 -1.81 0.00 0.00 61.98 59.86 1twc s VAL 35 Cb -0.31 -0.98 0.04 0.00 0.56 0.00 0.00 36.38 35.69 1twc s VAL 35 CO 0.39 -0.41 0.44 -1.83 -0.31 0.00 0.00 175.10 173.38 1twc s GLU 36 N -2.73 0.99 0.62 4.82 -1.05 -1.06 -5.01 118.70 115.29 1twc s GLU 36 Ca -0.04 -0.43 -0.12 0.00 -0.15 0.00 0.00 54.97 54.24 1twc s GLU 36 Cb -0.00 0.44 -0.03 0.00 -0.44 0.00 0.00 34.13 34.10 1twc s GLU 36 CO -0.04 -0.36 1.03 -1.83 0.95 0.00 0.00 175.26 175.01 1twc s GLU 37 N -2.85 3.47 0.06 -4.83 -1.05 -1.26 -0.27 118.70 111.97 1twc s GLU 37 Ca -0.03 0.85 -0.23 0.00 -0.15 0.00 0.00 54.97 55.41 1twc s GLU 37 Cb -0.00 -2.06 -0.06 0.00 -0.44 0.00 0.00 34.13 31.56 1twc s GLU 37 CO -0.05 -0.67 0.68 0.00 0.95 0.00 0.00 175.26 176.17 1twc s ALA 38 N -3.04 3.46 0.07 -0.84 0.00 0.12 -4.65 121.76 116.88 1twc s ALA 38 Ca 0.57 0.18 -0.25 0.00 0.00 0.00 0.00 51.96 52.45 1twc s ALA 38 Cb -0.12 -2.85 -0.16 0.00 0.00 0.00 0.00 23.12 19.99 1twc s ALA 38 CO 0.51 0.20 1.63 0.78 0.00 0.00 0.00 175.76 178.88 1twc h GLY 39 N 5.20 -0.15 -1.05 0.00 0.00 -1.94 -3.47 103.07 101.66 1twc h GLY 39 Ca -0.46 0.06 -0.61 0.00 0.00 0.00 0.00 47.33 46.32 1twc h GLY 39 CO 0.68 -0.05 -0.54 -1.35 0.00 0.00 0.00 176.54 175.28 1twc s SER 40 N -5.15 3.49 0.00 0.19 1.04 -1.26 -5.04 113.70 106.97 1twc s SER 40 Ca -0.14 -1.57 0.24 0.00 0.48 0.00 0.00 55.95 54.95 1twc s SER 40 Cb 0.05 0.28 0.29 0.00 0.10 0.00 0.00 66.02 66.73 1twc s SER 40 CO 0.65 -0.77 1.26 -0.81 0.98 0.00 0.00 173.24 174.55 1twc n PRO 41 N -1.04 0.50 -2.05 4.02 -0.04 -1.26 -4.83 135.00 130.31 1twc n PRO 41 Ca -0.11 -0.36 -0.41 0.00 -0.04 0.00 0.00 63.50 62.59 1twc n PRO 41 Cb 0.66 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.60 1twc n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1twc s LEU 42 N -2.75 3.41 -0.00 1.53 2.96 -1.26 -4.83 118.68 117.75 1twc s LEU 42 Ca 0.16 0.81 0.21 0.00 -0.22 0.00 0.00 54.13 55.09 1twc s LEU 42 Cb 0.18 -3.06 -0.21 0.00 0.50 0.00 0.00 46.19 43.60 1twc s LEU 42 CO 0.66 -2.00 0.90 0.52 -1.32 0.00 0.00 176.35 175.12 1twc n VAL 43 N 7.30 0.00 -3.64 1.68 0.31 -1.26 -4.85 118.33 117.87 1twc n VAL 43 Ca 0.21 -0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.45 1twc n VAL 43 Cb 0.49 0.95 -0.07 0.00 -0.91 0.00 0.00 33.84 34.30 1twc n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1twc s TYR 44 N -3.01 -0.96 -0.01 3.52 5.04 -1.26 -5.04 117.35 115.62 1twc s TYR 44 Ca 0.08 1.99 0.03 0.00 -2.44 0.00 0.00 57.07 56.73 1twc s TYR 44 Cb 0.16 0.54 -0.00 0.00 0.35 0.00 0.00 41.96 43.00 1twc s TYR 44 CO 0.87 -0.47 -0.10 0.50 -1.34 0.00 0.00 175.55 175.00 1twc s ARG 45 N 1.33 0.93 -0.30 4.97 6.06 -1.26 -5.04 118.95 125.64 1twc s ARG 45 Ca -0.08 -0.37 -0.00 0.00 -2.50 0.00 0.00 55.73 52.79 1twc s ARG 45 Cb -0.05 -0.88 0.10 0.00 0.06 0.00 0.00 34.95 34.18 1twc s ARG 45 CO -0.15 0.19 0.08 -1.58 -2.50 0.00 0.00 175.30 171.34 1twc s HIS 46 N -0.10 1.97 -0.50 5.12 5.65 -1.26 -4.93 115.29 121.24 1twc s HIS 46 Ca 0.02 -1.85 -0.27 0.00 0.25 0.00 0.00 55.06 53.20 1twc s HIS 46 Cb -0.06 -1.83 0.03 0.00 -1.18 0.00 0.00 32.58 29.55 1twc s HIS 46 CO -0.00 -0.87 1.08 -1.21 -0.65 0.00 0.00 174.74 173.09 1twc s GLU 47 N 1.53 3.60 0.24 2.88 2.02 -1.26 -4.94 118.70 122.77 1twc s GLU 47 Ca 0.09 0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.40 1twc s GLU 47 Cb -0.18 -3.95 0.29 0.00 0.10 0.00 0.00 34.13 30.39 1twc s GLU 47 CO -0.21 -1.41 1.63 -0.07 0.02 0.00 0.00 175.26 175.22 1twc h LEU 48 N 11.17 0.53 -7.75 1.80 3.38 -2.08 -3.41 115.31 118.95 1twc h LEU 48 Ca -0.24 -0.22 -0.68 0.00 0.09 0.00 0.00 57.88 56.83 1twc h LEU 48 Cb 1.06 -0.15 -0.37 0.00 0.09 0.00 0.00 40.66 41.30 1twc h LEU 48 CO 1.11 0.85 -0.62 -0.63 0.09 0.00 0.00 178.44 179.24 1twc s ILE 49 N -4.28 2.82 0.11 1.22 -1.09 -1.26 -5.06 121.20 113.66 1twc s ILE 49 Ca -0.07 -2.25 0.08 0.00 -2.23 0.00 0.00 60.65 56.18 1twc s ILE 49 Cb 0.13 -2.99 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 1twc s ILE 49 CO 0.81 -0.66 -0.13 0.28 -1.23 0.00 0.00 174.94 174.02 1twc s THR 50 N 0.96 3.19 -2.69 2.92 -1.32 -1.26 -4.98 115.64 112.45 1twc s THR 50 Ca 0.10 -1.37 0.22 0.00 -1.21 0.00 0.00 61.69 59.43 1twc s THR 50 Cb -0.21 -2.49 0.21 0.00 -1.51 0.00 0.00 72.50 68.50 1twc s THR 50 CO -0.06 0.09 1.23 0.59 -2.21 0.00 0.00 174.62 174.26 1twc n ASN 51 N 0.68 2.93 -4.67 8.08 4.13 -1.26 -4.93 115.26 120.22 1twc n ASN 51 Ca -0.14 -1.93 -0.42 0.00 1.68 0.00 0.00 54.58 53.77 1twc n ASN 51 Cb 0.53 -0.04 -0.03 0.00 -1.54 0.00 0.00 39.78 38.70 1twc n ASN 51 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1twc s ILE 52 N -1.77 3.52 0.00 2.41 -1.09 -1.26 -2.23 121.20 120.78 1twc s ILE 52 Ca 0.27 0.77 0.00 0.00 -2.23 0.00 0.00 60.65 59.47 1twc s ILE 52 Cb 0.19 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 1twc s ILE 52 CO 0.28 -0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.56 1twc n GLY 53 N 3.98 0.61 0.31 6.18 0.00 -1.26 -4.91 105.19 110.10 1twc n GLY 53 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1twc n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1twc h GLU 54 N 4.46 0.76 -0.30 1.61 5.08 -1.78 -3.08 114.58 121.33 1twc h GLU 54 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1twc h GLU 54 Cb 0.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1twc h GLU 54 CO 0.00 0.58 0.00 2.41 -1.00 0.00 0.00 179.01 181.00 1twc n THR 55 N -4.38 0.45 -1.73 1.13 -1.04 -1.26 -2.41 114.28 105.05 1twc n THR 55 Ca 0.05 -0.73 -0.42 0.00 -2.04 0.00 0.00 64.05 60.91 1twc n THR 55 Cb 0.12 1.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.63 1twc n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1twc n ALA 56 N 1.22 1.85 -0.10 2.41 0.00 -1.17 -2.77 120.51 121.97 1twc n ALA 56 Ca 0.16 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1twc n ALA 56 Cb 0.53 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1twc n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1twc n GLY 57 N 1.00 0.72 3.65 0.00 0.00 -1.26 -4.92 105.19 104.38 1twc n GLY 57 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1twc n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1twc s VAL 58 N -2.11 5.08 -0.01 1.61 1.01 -1.11 -4.93 120.40 119.93 1twc s VAL 58 Ca 0.00 0.98 -0.08 0.00 0.00 0.00 0.00 61.98 62.87 1twc s VAL 58 Cb 0.00 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1twc s VAL 58 CO 0.00 0.14 0.17 -0.69 0.00 0.00 0.00 175.10 174.72 1twc s VAL 59 N 1.85 0.07 0.47 2.92 1.01 -1.26 -5.02 120.40 120.44 1twc s VAL 59 Ca 0.24 -0.57 0.31 0.00 0.00 0.00 0.00 61.98 61.96 1twc s VAL 59 Cb -0.15 -0.44 0.51 0.00 0.00 0.00 0.00 36.38 36.30 1twc s VAL 59 CO 0.09 -0.31 1.71 -0.61 0.00 0.00 0.00 175.10 175.98 1twc h GLN 60 N 4.41 0.13 -0.74 2.72 5.75 -2.03 -0.92 115.11 124.42 1twc h GLN 60 Ca -0.30 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.13 1twc h GLN 60 Cb 1.19 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.68 1twc h GLN 60 CO 0.40 0.09 0.07 -0.25 -2.65 0.00 0.00 178.83 176.49 1twc n ASP 61 N -4.44 4.36 0.29 -0.69 10.43 -1.26 -4.56 116.55 120.68 1twc n ASP 61 Ca 0.32 -2.76 0.16 0.00 2.57 0.00 0.00 54.79 55.07 1twc n ASP 61 Cb 1.31 -0.66 0.89 0.00 1.84 0.00 0.00 41.12 44.51 1twc n ASP 61 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 1twc h ILE 62 N 2.61 0.40 0.00 0.53 6.09 -1.52 -2.52 117.51 123.09 1twc h ILE 62 Ca 0.07 -0.25 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 1twc h ILE 62 Cb 1.72 1.17 0.00 0.00 0.47 0.00 0.00 36.82 40.18 1twc h ILE 62 CO 0.43 0.05 -0.41 0.61 -3.07 0.00 0.00 178.15 175.76 1twc n GLY 63 N -0.93 -1.46 0.19 8.18 0.00 -1.26 -2.57 105.19 107.34 1twc n GLY 63 Ca -0.02 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.89 1twc n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1twc n SER 64 N -1.98 0.56 -4.47 1.61 3.41 -0.95 -4.81 113.62 106.99 1twc n SER 64 Ca 0.04 -1.50 -0.43 0.00 -0.26 0.00 0.00 58.87 56.72 1twc n SER 64 Cb 0.41 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.28 1twc n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1twc s ASP 65 N -1.60 6.23 0.61 4.04 -1.08 -1.06 -4.88 116.67 118.92 1twc s ASP 65 Ca 0.30 -0.82 0.40 0.00 -0.52 0.00 0.00 52.55 51.91 1twc s ASP 65 Cb 0.15 -2.40 2.02 0.00 -1.46 0.00 0.00 42.92 41.23 1twc s ASP 65 CO 0.24 -1.30 2.21 1.55 0.52 0.00 0.00 175.17 178.38 1twc h PRO 66 N 9.41 0.00 0.00 4.34 0.13 -1.90 -2.59 132.00 141.39 1twc h PRO 66 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1twc h PRO 66 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1twc h PRO 66 CO 1.13 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 179.15 1twc n THR 67 N -3.02 0.00 -3.69 1.56 -2.24 -1.26 -4.87 114.28 100.76 1twc n THR 67 Ca -0.02 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 1twc n THR 67 Cb 0.14 -0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 67.80 1twc n THR 67 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1twc s LEU 68 N -1.99 4.42 0.74 3.22 1.43 -0.98 -5.02 118.68 120.50 1twc s LEU 68 Ca 0.46 0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 54.13 1twc s LEU 68 Cb 0.21 -2.32 0.04 0.00 0.03 0.00 0.00 46.19 44.15 1twc s LEU 68 CO 0.35 0.36 1.10 -2.16 0.23 0.00 0.00 176.35 176.22 1twc s PRO 69 N -0.97 2.44 0.05 1.29 0.04 -1.26 -4.87 135.00 131.72 1twc s PRO 69 Ca 0.19 1.24 0.08 0.00 0.04 0.00 0.00 61.00 62.55 1twc s PRO 69 Cb -0.14 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 1twc s PRO 69 CO 0.08 -1.51 -0.23 1.03 0.04 0.00 0.00 177.00 176.41 1twc s ARG 70 N -4.65 1.90 0.34 4.56 0.52 -1.26 -2.08 118.95 118.27 1twc s ARG 70 Ca 0.63 -1.07 0.04 0.00 -0.52 0.00 0.00 55.73 54.81 1twc s ARG 70 Cb -0.18 -2.07 -0.06 0.00 0.52 0.00 0.00 34.95 33.16 1twc s ARG 70 CO 0.51 0.52 0.06 -1.54 0.02 0.00 0.00 175.30 174.88 1twc s SER 71 N -1.40 2.51 -0.24 0.23 1.04 -1.16 -4.96 113.70 109.73 1twc s SER 71 Ca 0.13 -1.42 0.14 0.00 0.48 0.00 0.00 55.95 55.29 1twc s SER 71 Cb -0.10 -0.02 0.82 0.00 0.10 0.00 0.00 66.02 66.82 1twc s SER 71 CO 0.04 -0.64 1.75 -0.90 0.98 0.00 0.00 173.24 174.46 1twc n ASP 72 N -0.77 5.74 -4.68 7.02 5.75 -1.26 -3.49 116.55 124.86 1twc n ASP 72 Ca -0.03 -2.93 -0.31 0.00 -0.01 0.00 0.00 54.79 51.51 1twc n ASP 72 Cb 0.66 -0.69 0.16 0.00 -1.03 0.00 0.00 41.12 40.23 1twc n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1twc s ARG 73 N -2.77 1.04 0.06 0.11 0.52 -1.26 -4.86 118.95 111.80 1twc s ARG 73 Ca 0.55 1.51 0.04 0.00 -0.52 0.00 0.00 55.73 57.31 1twc s ARG 73 Cb 0.42 -1.73 -0.04 0.00 0.52 0.00 0.00 34.95 34.11 1twc s ARG 73 CO 0.16 -2.60 -0.04 -2.00 0.02 0.00 0.00 175.30 170.84 1twc s GLU 74 N -4.66 2.49 0.21 3.54 2.12 -1.26 -4.27 118.70 116.86 1twc s GLU 74 Ca 0.66 -0.82 0.02 0.00 0.36 0.00 0.00 54.97 55.20 1twc s GLU 74 Cb -0.22 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.64 1twc s GLU 74 CO 0.58 0.56 0.36 0.00 -0.54 0.00 0.00 175.26 176.22 1twc h PRO 76 N 1.63 0.07 0.00 0.00 0.11 -1.98 -2.99 132.00 128.84 1twc h PRO 76 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1twc h PRO 76 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1twc h PRO 76 CO 0.65 0.04 -0.41 1.17 -0.21 0.00 0.00 178.00 179.25 1twc n LYS 77 N -4.57 0.27 0.04 1.05 4.81 -1.26 -4.57 118.16 113.93 1twc n LYS 77 Ca 0.38 0.27 0.13 0.00 -0.87 0.00 0.00 58.31 58.22 1twc n LYS 77 Cb 1.50 -1.16 0.39 0.00 0.02 0.00 0.00 35.03 35.78 1twc n LYS 77 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1twc n HIS 79 N -1.81 -0.07 -1.66 0.00 8.25 -1.13 -4.95 115.22 113.86 1twc n HIS 79 Ca 0.06 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.15 1twc n HIS 79 Cb 0.38 -1.42 0.07 0.00 1.12 0.00 0.00 29.99 30.14 1twc n HIS 79 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1twc n SER 80 N 0.76 1.53 -1.98 0.41 2.88 -1.26 -4.52 113.62 111.43 1twc n SER 80 Ca -0.01 0.80 -0.19 0.00 -1.33 0.00 0.00 58.87 58.14 1twc n SER 80 Cb 0.27 -1.49 0.04 0.00 -0.75 0.00 0.00 64.21 62.28 1twc n SER 80 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1twc n ARG 81 N -1.68 3.20 -3.71 -1.46 1.74 -1.26 -1.53 116.66 111.96 1twc n ARG 81 Ca 0.15 -4.00 -0.37 0.00 -0.77 0.00 0.00 57.85 52.86 1twc n ARG 81 Cb 0.48 -2.13 -0.10 0.00 -1.02 0.00 0.00 32.46 29.69 1twc n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1twc s GLU 82 N -3.55 2.26 0.23 5.56 0.41 -1.26 -4.50 118.70 117.86 1twc s GLU 82 Ca 0.47 -2.01 0.11 0.00 -0.41 0.00 0.00 54.97 53.13 1twc s GLU 82 Cb 0.40 -3.70 -0.05 0.00 -1.78 0.00 0.00 34.13 29.00 1twc s GLU 82 CO 0.02 -1.13 -0.18 -0.80 -0.49 0.00 0.00 175.26 172.68 1twc s ASN 83 N 1.68 3.73 0.17 -0.19 0.01 -1.23 -1.00 114.94 118.11 1twc s ASN 83 Ca 0.10 -0.87 0.09 0.00 -0.71 0.00 0.00 52.86 51.48 1twc s ASN 83 Cb -0.22 -0.40 -0.04 0.00 0.41 0.00 0.00 41.25 40.99 1twc s ASN 83 CO -0.03 0.07 -0.13 0.54 -1.51 0.00 0.00 177.10 176.04 1twc s VAL 84 N -2.08 3.01 0.03 1.60 0.11 -0.85 -2.96 120.40 119.25 1twc s VAL 84 Ca 0.26 -1.69 -0.02 0.00 -2.93 0.00 0.00 61.98 57.60 1twc s VAL 84 Cb -0.07 -2.46 -0.02 0.00 -1.53 0.00 0.00 36.38 32.30 1twc s VAL 84 CO 0.14 -0.07 0.02 0.72 -3.33 0.00 0.00 175.10 172.57 1twc s PHE 85 N -1.60 0.28 0.13 1.54 -0.12 -0.89 -1.10 117.98 116.22 1twc s PHE 85 Ca 0.23 -0.61 -0.18 0.00 -0.05 0.00 0.00 56.93 56.33 1twc s PHE 85 Cb -0.09 -0.21 0.04 0.00 -0.63 0.00 0.00 43.02 42.14 1twc s PHE 85 CO 0.13 -0.29 0.44 -0.59 -0.05 0.00 0.00 175.22 174.87 1twc s PHE 86 N -2.33 -0.28 0.86 3.49 -0.12 -0.68 -4.15 117.98 114.77 1twc s PHE 86 Ca -0.08 -0.00 -0.12 0.00 -0.05 0.00 0.00 56.93 56.68 1twc s PHE 86 Cb -0.03 0.32 0.11 0.00 -0.63 0.00 0.00 43.02 42.79 1twc s PHE 86 CO -0.04 -0.73 1.12 -0.65 -0.05 0.00 0.00 175.22 174.88 1twc s GLN 87 N -3.73 1.53 0.18 1.99 -0.21 -1.26 -0.46 119.66 117.70 1twc s GLN 87 Ca 0.02 0.44 -0.33 0.00 0.02 0.00 0.00 55.36 55.51 1twc s GLN 87 Cb 0.01 -1.87 -0.15 0.00 1.00 0.00 0.00 33.01 32.00 1twc s GLN 87 CO -0.12 -1.96 1.33 0.45 -2.12 0.00 0.00 175.29 172.87 1twc n SER 88 N -3.63 2.10 -0.33 5.90 2.88 -1.25 -4.81 113.62 114.47 1twc n SER 88 Ca 0.07 1.13 0.12 0.00 -1.33 0.00 0.00 58.87 58.85 1twc n SER 88 Cb 0.58 -1.31 0.13 0.00 -0.75 0.00 0.00 64.21 62.85 1twc n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1twc n GLN 89 N 2.18 0.89 -0.70 -1.46 1.13 -1.01 -4.79 117.38 113.61 1twc n GLN 89 Ca 0.15 -0.67 -0.31 0.00 -1.94 0.00 0.00 57.00 54.23 1twc n GLN 89 Cb 0.27 -1.49 0.17 0.00 0.11 0.00 0.00 30.24 29.30 1twc n GLN 89 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1twc s GLN 90 N -2.57 0.95 -0.54 -1.09 -0.21 -1.20 -4.88 119.66 110.13 1twc s GLN 90 Ca 0.19 1.51 0.05 0.00 0.02 0.00 0.00 55.36 57.12 1twc s GLN 90 Cb 0.18 -1.72 0.18 0.00 1.00 0.00 0.00 33.01 32.65 1twc s GLN 90 CO 0.59 -2.66 0.44 0.54 -2.12 0.00 0.00 175.29 172.09 1twc n ARG 91 N -4.25 1.03 -4.39 2.91 5.12 -1.26 -5.02 116.66 110.79 1twc n ARG 91 Ca 0.11 -3.79 -0.24 0.00 -1.93 0.00 0.00 57.85 52.00 1twc n ARG 91 Cb 0.52 -1.91 -0.11 0.00 -1.16 0.00 0.00 32.46 29.80 1twc n ARG 91 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1twc s ARG 92 N -0.81 1.43 0.28 5.56 0.52 -1.26 -5.01 118.95 119.65 1twc s ARG 92 Ca 0.31 -1.50 0.11 0.00 -0.52 0.00 0.00 55.73 54.13 1twc s ARG 92 Cb 0.03 -1.61 0.35 0.00 0.52 0.00 0.00 34.95 34.24 1twc s ARG 92 CO -0.17 0.34 1.60 0.87 0.02 0.00 0.00 175.30 177.96 1twc h LYS 93 N 3.13 0.00 -0.26 3.54 1.57 -2.03 -3.36 116.57 119.17 1twc h LYS 93 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1twc h LYS 93 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1twc h LYS 93 CO 0.50 0.61 0.00 -0.40 -0.57 0.00 0.00 179.45 179.59 1twc n ASP 94 N -3.72 2.83 -4.75 0.86 5.75 -1.26 -5.02 116.55 111.24 1twc n ASP 94 Ca -0.01 -2.13 -0.38 0.00 -0.01 0.00 0.00 54.79 52.27 1twc n ASP 94 Cb 0.63 -0.22 0.04 0.00 -1.03 0.00 0.00 41.12 40.53 1twc n ASP 94 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1twc s THR 95 N -1.22 2.26 0.88 2.12 2.01 -1.26 -5.08 115.64 115.36 1twc s THR 95 Ca 0.21 0.19 -0.13 0.00 0.31 0.00 0.00 61.69 62.26 1twc s THR 95 Cb 0.12 -3.09 0.13 0.00 0.01 0.00 0.00 72.50 69.67 1twc s THR 95 CO 0.12 -0.01 1.19 -0.94 -0.69 0.00 0.00 174.62 174.28 1twc s SER 96 N -1.19 3.80 -0.38 3.53 1.04 -1.26 -4.95 113.70 114.29 1twc s SER 96 Ca 0.74 0.74 0.07 0.00 0.48 0.00 0.00 55.95 57.98 1twc s SER 96 Cb -0.37 -1.16 0.72 0.00 0.10 0.00 0.00 66.02 65.31 1twc s SER 96 CO 0.42 -2.35 1.87 0.23 0.98 0.00 0.00 173.24 174.39 1twc n MET 97 N -3.60 3.09 -1.98 4.02 2.81 -1.26 -4.74 117.12 115.46 1twc n MET 97 Ca 0.09 -3.06 -0.36 0.00 -1.81 0.00 0.00 57.70 52.56 1twc n MET 97 Cb 0.60 -2.21 0.04 0.00 -0.71 0.00 0.00 33.22 30.94 1twc n MET 97 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1twc s VAL 98 N -3.14 2.57 0.11 2.03 0.11 -1.26 -4.94 120.40 115.89 1twc s VAL 98 Ca 0.56 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.97 1twc s VAL 98 Cb 0.46 -3.14 -0.04 0.00 -1.53 0.00 0.00 36.38 32.13 1twc s VAL 98 CO 0.12 -0.08 0.27 -0.76 -3.33 0.00 0.00 175.10 171.33 1twc s LEU 99 N -4.12 4.33 -0.11 2.54 1.43 -1.26 -3.93 118.68 117.56 1twc s LEU 99 Ca 0.78 0.28 0.03 0.00 -1.03 0.00 0.00 54.13 54.19 1twc s LEU 99 Cb -0.31 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 42.91 1twc s LEU 99 CO 0.34 0.10 -0.22 -0.36 0.23 0.00 0.00 176.35 176.43 1twc s PHE 100 N -1.64 2.51 0.03 0.29 0.40 0.39 -2.68 117.98 117.28 1twc s PHE 100 Ca 0.36 -1.12 0.02 0.00 -0.60 0.00 0.00 56.93 55.60 1twc s PHE 100 Cb -0.12 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.67 1twc s PHE 100 CO 0.28 -0.48 0.02 -0.06 0.70 0.00 0.00 175.22 175.68 1twc s PHE 101 N 0.54 3.09 -0.15 0.36 0.40 0.46 -1.69 117.98 120.99 1twc s PHE 101 Ca -0.14 0.06 -0.01 0.00 -0.60 0.00 0.00 56.93 56.24 1twc s PHE 101 Cb -0.17 -1.64 0.04 0.00 0.51 0.00 0.00 43.02 41.76 1twc s PHE 101 CO 0.05 0.48 -0.05 0.08 0.70 0.00 0.00 175.22 176.48 1twc s VAL 102 N -1.19 1.00 0.10 -0.44 1.01 -0.26 -2.07 120.40 118.55 1twc s VAL 102 Ca 0.22 -0.48 -0.31 0.00 0.00 0.00 0.00 61.98 61.41 1twc s VAL 102 Cb -0.12 -1.15 -0.08 0.00 0.00 0.00 0.00 36.38 35.03 1twc s VAL 102 CO 0.14 0.18 1.45 0.00 0.00 0.00 0.00 175.10 176.87 1twc n LEU 104 N 4.43 1.46 -0.04 0.00 4.77 -0.17 -2.07 117.00 125.38 1twc n LEU 104 Ca 0.13 -0.49 -0.18 0.00 -0.03 0.00 0.00 56.01 55.43 1twc n LEU 104 Cb 0.42 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.31 1twc n LEU 104 CO 0.59 0.28 -0.91 -1.20 -1.33 0.00 0.00 177.39 174.82 1twc n SER 105 N -0.46 1.77 0.00 -1.43 7.64 -1.26 -4.76 113.62 115.12 1twc n SER 105 Ca 0.10 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1twc n SER 105 Cb 0.40 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1twc n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1twc n SER 107 N -0.29 -5.61 -4.77 0.00 3.41 -0.88 -4.99 113.62 100.49 1twc n SER 107 Ca 0.00 0.28 -0.38 0.00 -0.26 0.00 0.00 58.87 58.51 1twc n SER 107 Cb 0.03 -4.79 -0.04 0.00 -0.26 0.00 0.00 64.21 59.15 1twc n SER 107 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1twc s HIS 108 N -2.87 3.47 -0.13 7.33 5.65 -1.26 -4.68 115.29 122.79 1twc s HIS 108 Ca 0.00 1.69 -0.05 0.00 0.25 0.00 0.00 55.06 56.95 1twc s HIS 108 Cb 0.00 -3.19 -0.04 0.00 -1.18 0.00 0.00 32.58 28.18 1twc s HIS 108 CO 0.00 -0.50 0.05 0.42 -0.65 0.00 0.00 174.74 174.05 1twc s ILE 109 N -1.40 4.70 0.15 0.89 1.09 -1.26 -0.56 121.20 124.81 1twc s ILE 109 Ca 0.50 -0.09 -0.07 0.00 -1.10 0.00 0.00 60.65 59.90 1twc s ILE 109 Cb -0.27 -3.05 -0.02 0.00 -1.06 0.00 0.00 42.46 38.06 1twc s ILE 109 CO 0.34 0.54 0.21 0.72 -0.10 0.00 0.00 174.94 176.66 1twc s PHE 110 N -0.34 0.50 0.17 3.97 -0.12 -0.88 -4.96 117.98 116.32 1twc s PHE 110 Ca 0.08 -0.88 0.08 0.00 -0.05 0.00 0.00 56.93 56.17 1twc s PHE 110 Cb -0.12 -0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.06 1twc s PHE 110 CO 0.02 -0.65 -0.04 0.99 -0.05 0.00 0.00 175.22 175.49 1twc s THR 111 N -3.98 3.49 -2.00 -4.49 2.01 -1.26 -0.41 115.64 109.01 1twc s THR 111 Ca 0.18 -1.51 0.03 0.00 0.31 0.00 0.00 61.69 60.69 1twc s THR 111 Cb 0.05 -2.74 0.08 0.00 0.01 0.00 0.00 72.50 69.89 1twc s THR 111 CO -0.01 -0.10 0.99 -1.54 -0.69 0.00 0.00 174.62 173.27 1twc n SER 112 N -0.03 0.00 -4.58 3.53 3.41 -1.09 -4.86 113.62 110.00 1twc n SER 112 Ca -0.10 -1.66 -0.42 0.00 -0.26 0.00 0.00 58.87 56.43 1twc n SER 112 Cb 0.55 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.48 1twc n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1twc s ASP 113 N -1.22 6.35 0.00 4.04 -1.08 -1.26 -4.89 116.67 118.61 1twc s ASP 113 Ca 0.04 0.18 0.20 0.00 -0.52 0.00 0.00 52.55 52.45 1twc s ASP 113 Cb 0.02 -2.55 0.88 0.00 -1.46 0.00 0.00 42.92 39.81 1twc s ASP 113 CO 0.03 -1.55 1.63 0.00 0.52 0.00 0.00 175.17 175.80 1twc n GLN 114 N 8.50 0.08 -1.77 4.34 6.02 -1.26 -3.16 117.38 130.13 1twc n GLN 114 Ca 0.10 0.15 -0.34 0.00 -0.01 0.00 0.00 57.00 56.89 1twc n GLN 114 Cb 0.49 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.30 1twc n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1twc n LYS 115 N -1.44 2.94 -1.86 -1.09 5.02 -1.26 -5.03 118.16 115.44 1twc n LYS 115 Ca 0.06 -3.65 -0.41 0.00 -2.02 0.00 0.00 58.31 52.29 1twc n LYS 115 Cb 0.21 -2.28 -0.03 0.00 -0.02 0.00 0.00 35.03 32.91 1twc n LYS 115 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1twc s ASN 116 N -2.06 5.51 0.06 4.39 3.04 -1.19 -4.82 114.94 119.86 1twc s ASN 116 Ca 0.57 1.26 -0.01 0.00 0.04 0.00 0.00 52.86 54.72 1twc s ASN 116 Cb 0.46 -2.52 -0.27 0.00 -1.54 0.00 0.00 41.25 37.38 1twc s ASN 116 CO -0.16 -2.02 1.07 0.11 -3.04 0.00 0.00 177.10 173.06 1twc h LYS 117 N 14.56 0.20 -6.10 0.43 6.56 -1.96 -3.48 116.57 126.79 1twc h LYS 117 Ca -0.33 -0.35 -0.71 0.00 -1.06 0.00 0.00 60.65 58.20 1twc h LYS 117 Cb 1.20 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.99 1twc h LYS 117 CO 1.06 1.12 1.09 0.54 -2.06 0.00 0.00 179.45 181.20 1twc n ARG 118 N -3.45 1.15 0.06 3.15 5.12 -1.26 -4.93 116.66 116.50 1twc n ARG 118 Ca -0.09 0.39 -0.12 0.00 -1.93 0.00 0.00 57.85 56.10 1twc n ARG 118 Cb 1.01 -2.21 -0.08 0.00 -1.16 0.00 0.00 32.46 30.02 1twc n ARG 118 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1twc h THR 119 N 5.88 0.96 0.00 0.55 2.02 -2.04 -3.47 112.91 116.81 1twc h THR 119 Ca -0.39 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 65.72 1twc h THR 119 Cb 1.32 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1twc h THR 119 CO 0.99 0.23 0.00 1.67 0.37 0.00 0.00 175.52 178.77 1twc n GLN 120 N -4.94 0.00 -0.48 6.66 -0.06 -1.26 -5.17 117.38 112.13 1twc n GLN 120 Ca -0.08 0.10 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 1twc n GLN 120 Cb 0.27 -0.49 0.00 0.00 -4.06 0.00 0.00 30.24 25.96 1twc n GLN 120 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05