#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hou n THR 3 N 0.00 0.00 -3.25 1.09 -1.04 -1.26 -4.93 114.28 104.89 3hou n THR 3 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 3hou n THR 3 Cb 0.00 -0.35 0.03 0.00 -1.82 0.00 0.00 70.33 68.20 3hou n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3hou s PHE 4 N 4.71 1.70 0.29 -1.42 -0.12 -1.26 -5.10 117.98 116.79 3hou s PHE 4 Ca 0.86 -0.70 0.03 0.00 -0.05 0.00 0.00 56.93 57.08 3hou s PHE 4 Cb -1.00 -2.16 -0.03 0.00 -0.63 0.00 0.00 43.02 39.20 3hou s PHE 4 CO 0.43 -0.85 0.28 -0.98 -0.05 0.00 0.00 175.22 174.04 3hou s ARG 5 N -4.51 1.62 0.40 1.99 1.70 -1.26 -5.15 118.95 113.74 3hou s ARG 5 Ca 0.54 -1.85 0.07 0.00 -0.47 0.00 0.00 55.73 54.02 3hou s ARG 5 Cb -0.05 0.33 -0.07 0.00 -0.57 0.00 0.00 34.95 34.59 3hou s ARG 5 CO 0.34 -0.60 0.06 -0.06 -1.08 0.00 0.00 175.30 173.96 3hou s PHE 6 N -3.60 2.55 0.62 5.89 0.40 -1.26 -3.78 117.98 118.81 3hou s PHE 6 Ca 0.38 -0.62 -0.10 0.00 -0.60 0.00 0.00 56.93 55.99 3hou s PHE 6 Cb 0.03 -1.80 -0.03 0.00 0.51 0.00 0.00 43.02 41.73 3hou s PHE 6 CO 0.22 0.37 1.02 0.00 0.70 0.00 0.00 175.22 177.53 3hou n ARG 8 N -2.75 3.51 0.00 0.00 1.74 -1.26 -3.25 116.66 114.65 3hou n ARG 8 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 3hou n ARG 8 Cb 0.55 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.99 3hou n ARG 8 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3hou n ASP 9 N 0.00 0.00 -2.69 0.55 9.92 -1.26 -2.10 116.55 120.97 3hou n ASP 9 Ca 0.00 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.89 3hou n ASP 9 Cb 0.00 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 40.53 3hou n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hou n ASN 11 N -0.60 0.00 0.00 0.00 5.15 -0.89 -4.85 115.26 114.07 3hou n ASN 11 Ca 0.56 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.54 3hou n ASN 11 Cb 0.39 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.64 3hou n ASN 11 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3hou n ASN 12 N 0.00 1.21 -4.81 1.20 5.03 -1.26 -4.94 115.26 111.69 3hou n ASN 12 Ca 0.00 0.00 -0.24 0.00 0.87 0.00 0.00 54.58 55.21 3hou n ASN 12 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 38.71 3hou n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3hou s MET 13 N 1.36 2.91 -0.19 3.52 -2.45 -1.26 -3.74 119.30 119.45 3hou s MET 13 Ca 0.00 -0.95 -0.03 0.00 -1.25 0.00 0.00 55.69 53.46 3hou s MET 13 Cb 0.00 -2.61 -0.02 0.00 1.25 0.00 0.00 34.83 33.45 3hou s MET 13 CO 0.00 0.45 -0.05 -0.51 1.05 0.00 0.00 175.02 175.96 3hou s LEU 14 N -3.42 2.97 -0.37 4.11 1.43 -1.25 -4.50 118.68 117.66 3hou s LEU 14 Ca 0.32 -0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 52.97 3hou s LEU 14 Cb -0.09 -1.74 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 3hou s LEU 14 CO 0.24 0.06 0.26 -0.31 0.23 0.00 0.00 176.35 176.83 3hou s TYR 15 N 1.02 3.23 0.32 0.29 1.51 0.17 -4.74 117.35 119.16 3hou s TYR 15 Ca 0.00 -0.37 -0.27 0.00 -1.01 0.00 0.00 57.07 55.43 3hou s TYR 15 Cb -0.15 -2.52 -0.14 0.00 -0.11 0.00 0.00 41.96 39.05 3hou s TYR 15 CO 0.00 -0.45 0.95 -0.35 -1.11 0.00 0.00 175.55 174.58 3hou n PRO 16 N 5.13 1.22 -4.34 -1.71 -0.04 -1.26 -2.69 135.00 131.31 3hou n PRO 16 Ca -0.12 0.43 -0.18 0.00 -0.04 0.00 0.00 63.50 63.60 3hou n PRO 16 Cb 0.49 -1.80 -0.10 0.00 -0.04 0.00 0.00 33.50 32.04 3hou n PRO 16 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hou s ARG 17 N -1.60 1.47 -0.05 0.54 1.81 0.69 -4.87 118.95 116.94 3hou s ARG 17 Ca 0.60 -1.80 0.03 0.00 -1.72 0.00 0.00 55.73 52.83 3hou s ARG 17 Cb -0.68 -0.37 0.01 0.00 -0.45 0.00 0.00 34.95 33.45 3hou s ARG 17 CO 0.59 -0.28 -0.13 -2.00 -0.68 0.00 0.00 175.30 172.80 3hou s GLU 18 N -4.00 1.48 -0.88 3.54 2.12 -1.26 -0.62 118.70 119.09 3hou s GLU 18 Ca 0.37 -0.43 -0.25 0.00 0.36 0.00 0.00 54.97 55.02 3hou s GLU 18 Cb 0.08 -1.29 0.04 0.00 0.26 0.00 0.00 34.13 33.22 3hou s GLU 18 CO 0.14 0.12 1.36 0.34 -0.54 0.00 0.00 175.26 176.68 3hou s ASP 19 N 0.33 6.32 0.07 -1.70 -1.08 0.46 -4.85 116.67 116.23 3hou s ASP 19 Ca -0.08 -0.93 -0.33 0.00 -0.52 0.00 0.00 52.55 50.69 3hou s ASP 19 Cb -0.12 -2.56 -0.17 0.00 -1.46 0.00 0.00 42.92 38.61 3hou s ASP 19 CO 0.02 -1.68 1.51 0.11 0.52 0.00 0.00 175.17 175.65 3hou h LYS 20 N 9.92 -0.97 -0.15 4.34 1.57 -1.97 0.50 116.57 129.82 3hou h LYS 20 Ca -0.05 0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3hou h LYS 20 Cb 1.03 0.22 -0.07 0.00 0.08 0.00 0.00 32.23 33.49 3hou h LYS 20 CO 1.35 -0.65 -0.41 1.49 -0.57 0.00 0.00 179.45 180.67 3hou h GLU 21 N -1.01 -0.45 -0.01 3.15 4.81 -1.99 -2.94 114.58 116.15 3hou h GLU 21 Ca -0.07 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3hou h GLU 21 Cb 0.84 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3hou h GLU 21 CO 0.00 -0.30 -0.27 0.09 -0.73 0.00 0.00 179.01 177.80 3hou n ASN 22 N -5.43 0.82 -2.77 1.04 3.02 -1.22 -5.00 115.26 105.71 3hou n ASN 22 Ca -0.04 -0.69 -0.01 0.00 -0.03 0.00 0.00 54.58 53.81 3hou n ASN 22 Cb 0.36 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 3hou n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hou n ASN 23 N -0.87 -6.84 -3.53 6.41 4.13 0.17 -5.05 115.26 109.68 3hou n ASN 23 Ca 0.11 0.01 -0.15 0.00 1.68 0.00 0.00 54.58 56.23 3hou n ASN 23 Cb 0.33 -4.60 -0.05 0.00 -1.54 0.00 0.00 39.78 33.93 3hou n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hou s ARG 24 N -2.91 1.07 -0.04 3.52 1.70 -1.07 -4.97 118.95 116.26 3hou s ARG 24 Ca 0.03 -0.05 -0.25 0.00 -0.47 0.00 0.00 55.73 55.00 3hou s ARG 24 Cb -0.01 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.83 3hou s ARG 24 CO 0.62 -0.37 0.76 -1.17 -1.08 0.00 0.00 175.30 174.06 3hou s LEU 25 N -1.71 4.35 -0.10 -1.89 2.96 -1.26 -0.41 118.68 120.63 3hou s LEU 25 Ca -0.07 1.31 0.01 0.00 -0.22 0.00 0.00 54.13 55.16 3hou s LEU 25 Cb -0.01 -3.19 0.02 0.00 0.50 0.00 0.00 46.19 43.51 3hou s LEU 25 CO 0.02 -0.11 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.06 3hou s LEU 26 N 0.68 1.53 -0.11 -0.68 1.43 0.21 0.38 118.68 122.11 3hou s LEU 26 Ca 0.40 -0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 52.98 3hou s LEU 26 Cb -0.19 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 45.05 3hou s LEU 26 CO 0.21 -0.03 0.43 -0.36 0.23 0.00 0.00 176.35 176.83 3hou s PHE 27 N 1.14 3.54 0.18 0.29 2.99 0.05 0.25 117.98 126.41 3hou s PHE 27 Ca -0.05 0.85 0.03 0.00 0.00 0.00 0.00 56.93 57.76 3hou s PHE 27 Cb -0.14 -2.46 -0.05 0.00 0.00 0.00 0.00 43.02 40.37 3hou s PHE 27 CO -0.03 0.26 -0.04 -1.83 -0.00 0.00 0.00 175.22 173.58 3hou s GLU 28 N 0.30 1.15 0.10 0.44 -1.05 -1.09 -0.82 118.70 117.73 3hou s GLU 28 Ca 0.24 -1.54 -0.02 0.00 -0.15 0.00 0.00 54.97 53.50 3hou s GLU 28 Cb -0.15 -0.51 -0.05 0.00 -0.44 0.00 0.00 34.13 32.98 3hou s GLU 28 CO 0.09 -0.04 0.28 0.00 0.95 0.00 0.00 175.26 176.55 3hou n ARG 30 N 0.21 2.71 -0.06 0.00 1.74 -1.26 -4.48 116.66 115.52 3hou n ARG 30 Ca -0.04 -2.35 -0.09 0.00 -0.77 0.00 0.00 57.85 54.60 3hou n ARG 30 Cb 0.51 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.41 3hou n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hou n THR 31 N -0.26 0.68 -2.41 0.55 -1.04 -1.26 -5.05 114.28 105.48 3hou n THR 31 Ca 0.14 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 3hou n THR 31 Cb 0.61 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 3hou n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hou n SER 33 N 0.00 2.47 -4.44 0.00 7.64 -1.26 -4.75 113.62 113.27 3hou n SER 33 Ca 0.00 -2.02 -0.36 0.00 1.01 0.00 0.00 58.87 57.50 3hou n SER 33 Cb 0.00 -0.12 0.07 0.00 -1.01 0.00 0.00 64.21 63.15 3hou n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hou n TYR 34 N -0.01 -1.02 -3.64 1.43 9.36 -1.26 -4.86 117.16 117.15 3hou n TYR 34 Ca 0.06 0.33 -0.07 0.00 3.32 0.00 0.00 57.90 61.53 3hou n TYR 34 Cb 0.34 -1.88 -0.07 0.00 -0.63 0.00 0.00 39.34 37.10 3hou n TYR 34 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3hou s VAL 35 N -1.98 0.00 0.01 2.97 1.01 -1.26 -2.88 120.40 118.26 3hou s VAL 35 Ca 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.60 3hou s VAL 35 Cb -0.33 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 3hou s VAL 35 CO 0.60 0.00 0.01 -1.83 0.00 0.00 0.00 175.10 173.88 3hou s GLU 36 N 1.10 0.21 0.60 2.72 -1.05 0.00 -5.01 118.70 117.27 3hou s GLU 36 Ca -0.06 -0.31 -0.19 0.00 -0.15 0.00 0.00 54.97 54.26 3hou s GLU 36 Cb -0.05 0.08 -0.03 0.00 -0.44 0.00 0.00 34.13 33.69 3hou s GLU 36 CO -0.13 -0.04 1.27 -1.83 0.95 0.00 0.00 175.26 175.49 3hou s GLU 37 N -0.81 2.87 0.43 -4.83 -1.05 -1.26 -0.77 118.70 113.28 3hou s GLU 37 Ca -0.09 1.99 -0.25 0.00 -0.15 0.00 0.00 54.97 56.48 3hou s GLU 37 Cb -0.05 -1.97 -0.08 0.00 -0.44 0.00 0.00 34.13 31.58 3hou s GLU 37 CO -0.00 -1.33 1.29 0.00 0.95 0.00 0.00 175.26 176.17 3hou s ALA 38 N -1.46 3.16 -0.15 -0.84 0.00 0.16 -4.70 121.76 117.93 3hou s ALA 38 Ca 0.78 1.21 0.17 0.00 0.00 0.00 0.00 51.96 54.11 3hou s ALA 38 Cb -0.35 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.26 3hou s ALA 38 CO 0.38 -0.88 1.15 0.78 0.00 0.00 0.00 175.76 177.19 3hou h GLY 39 N 2.41 0.00 -3.23 0.00 0.00 -1.92 -3.48 103.07 96.86 3hou h GLY 39 Ca -0.50 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 3hou h GLY 39 CO 0.61 0.00 -0.16 -0.45 0.00 0.00 0.00 176.54 176.55 3hou s SER 40 N -6.08 -0.15 0.01 0.19 0.15 -1.26 -5.04 113.70 101.52 3hou s SER 40 Ca 0.01 -0.35 0.29 0.00 0.70 0.00 0.00 55.95 56.60 3hou s SER 40 Cb 0.08 0.43 1.22 0.00 -1.71 0.00 0.00 66.02 66.04 3hou s SER 40 CO 0.78 -0.78 1.92 -0.81 1.20 0.00 0.00 173.24 175.54 3hou n PRO 41 N -0.04 0.01 -2.46 5.44 -0.04 -1.26 -4.67 135.00 131.97 3hou n PRO 41 Ca -0.16 0.01 -0.39 0.00 -0.04 0.00 0.00 63.50 62.92 3hou n PRO 41 Cb 0.63 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 3hou n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hou s LEU 42 N -3.05 3.37 0.12 1.53 2.96 -1.26 -4.85 118.68 117.49 3hou s LEU 42 Ca 0.14 -1.05 -0.07 0.00 -0.22 0.00 0.00 54.13 52.93 3hou s LEU 42 Cb 0.19 -2.56 -0.13 0.00 0.50 0.00 0.00 46.19 44.18 3hou s LEU 42 CO 0.53 -1.79 1.27 0.58 -1.32 0.00 0.00 176.35 175.63 3hou h VAL 43 N 6.71 1.37 -2.87 1.68 2.07 -1.97 -3.47 116.25 119.77 3hou h VAL 43 Ca 0.06 -2.41 -0.12 0.00 0.82 0.00 0.00 66.70 65.05 3hou h VAL 43 Cb 1.02 2.42 -0.23 0.00 -1.52 0.00 0.00 31.29 32.99 3hou h VAL 43 CO 1.36 0.73 -0.26 -0.47 0.02 0.00 0.00 177.57 178.95 3hou s TYR 44 N -3.27 -0.34 -0.03 1.57 5.04 -1.26 -5.09 117.35 113.97 3hou s TYR 44 Ca -0.07 0.76 0.01 0.00 -2.44 0.00 0.00 57.07 55.33 3hou s TYR 44 Cb 0.08 0.14 0.02 0.00 0.35 0.00 0.00 41.96 42.55 3hou s TYR 44 CO 0.88 -0.28 -0.03 0.50 -1.34 0.00 0.00 175.55 175.28 3hou s ARG 45 N -0.37 0.58 -0.06 4.97 6.06 -1.26 -5.07 118.95 123.80 3hou s ARG 45 Ca -0.05 -0.04 -0.04 0.00 -2.50 0.00 0.00 55.73 53.10 3hou s ARG 45 Cb -0.03 -0.65 -0.01 0.00 0.06 0.00 0.00 34.95 34.31 3hou s ARG 45 CO 0.02 -0.08 -0.08 1.58 -2.50 0.00 0.00 175.30 174.24 3hou n HIS 46 N 3.98 0.33 -2.38 5.12 -0.00 -1.26 -5.09 115.22 115.92 3hou n HIS 46 Ca -0.25 0.14 -0.05 0.00 -0.00 0.00 0.00 57.72 57.56 3hou n HIS 46 Cb 0.51 -0.43 0.01 0.00 -0.00 0.00 0.00 29.99 30.08 3hou n HIS 46 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 3hou n GLU 47 N -3.20 -1.47 0.25 1.57 2.13 -1.26 -5.01 120.64 113.65 3hou n GLU 47 Ca -0.03 1.51 -0.10 0.00 0.66 0.00 0.00 57.16 59.19 3hou n GLU 47 Cb 0.12 -4.20 -0.05 0.00 0.27 0.00 0.00 31.44 27.58 3hou n GLU 47 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3hou h LEU 48 N 1.19 -0.57 -7.62 4.31 3.38 -2.07 -3.35 115.31 110.57 3hou h LEU 48 Ca 0.00 0.02 -0.74 0.00 0.09 0.00 0.00 57.88 57.25 3hou h LEU 48 Cb 0.68 0.15 -0.17 0.00 0.09 0.00 0.00 40.66 41.40 3hou h LEU 48 CO 0.14 -0.24 1.43 -0.38 0.09 0.00 0.00 178.44 179.48 3hou n ILE 49 N -4.79 4.26 -0.74 1.22 5.41 -1.26 -4.99 119.36 118.46 3hou n ILE 49 Ca -0.08 -4.69 -0.30 0.00 1.00 0.00 0.00 62.75 58.67 3hou n ILE 49 Cb 0.27 -2.46 0.26 0.00 -0.71 0.00 0.00 39.64 37.00 3hou n ILE 49 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3hou s THR 50 N 1.51 1.49 0.00 1.39 2.01 -1.26 -5.00 115.64 115.79 3hou s THR 50 Ca 0.43 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.43 3hou s THR 50 Cb -0.02 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 70.22 3hou s THR 50 CO 0.00 0.00 0.00 0.59 -0.69 0.00 0.00 174.62 174.52 3hou n ASN 51 N -5.12 0.00 -4.58 3.53 4.13 -1.26 -5.08 115.26 106.88 3hou n ASN 51 Ca 0.11 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.96 3hou n ASN 51 Cb 0.59 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.80 3hou n ASN 51 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3hou s ILE 52 N 0.00 3.59 0.00 2.41 -4.36 -1.26 -1.88 121.20 119.71 3hou s ILE 52 Ca 0.00 0.52 0.00 0.00 -0.26 0.00 0.00 60.65 60.91 3hou s ILE 52 Cb 0.00 -4.04 0.00 0.00 1.25 0.00 0.00 42.46 39.67 3hou s ILE 52 CO 0.00 -0.82 0.00 0.61 0.24 0.00 0.00 174.94 174.97 3hou n GLY 53 N 5.40 1.07 0.47 6.27 0.00 -1.26 -4.99 105.19 112.16 3hou n GLY 53 Ca 0.18 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.43 3hou n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hou n GLU 54 N 0.00 0.01 -1.03 1.61 1.02 -0.79 -0.26 120.64 121.21 3hou n GLU 54 Ca 0.00 0.93 0.01 0.00 -0.02 0.00 0.00 57.16 58.08 3hou n GLU 54 Cb 0.00 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.09 3hou n GLU 54 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3hou n THR 55 N -3.00 0.00 -1.19 2.62 -2.24 -1.26 -3.02 114.28 106.19 3hou n THR 55 Ca 0.19 -0.49 -0.38 0.00 -2.27 0.00 0.00 64.05 61.10 3hou n THR 55 Cb 1.36 0.72 0.02 0.00 -2.10 0.00 0.00 70.33 70.33 3hou n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hou n ALA 56 N 0.25 -3.65 -1.98 6.98 0.00 0.65 -4.35 120.51 118.40 3hou n ALA 56 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3hou n ALA 56 Cb 0.91 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3hou n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hou n GLY 57 N 2.73 0.00 2.69 0.00 0.00 -1.26 -4.97 105.19 104.38 3hou n GLY 57 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 3hou n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hou n VAL 58 N 2.04 0.81 -0.95 1.61 0.31 -1.26 -5.05 118.33 115.84 3hou n VAL 58 Ca 0.00 -2.68 -0.35 0.00 -0.01 0.00 0.00 64.34 61.30 3hou n VAL 58 Cb 0.00 0.82 0.06 0.00 -0.91 0.00 0.00 33.84 33.81 3hou n VAL 58 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3hou n VAL 59 N -0.28 0.00 0.69 2.52 0.24 -1.26 -4.66 118.33 115.58 3hou n VAL 59 Ca 0.06 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 3hou n VAL 59 Cb 0.83 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 3hou n VAL 59 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3hou n GLN 60 N 1.47 0.38 0.00 7.34 -0.06 -1.26 -0.93 117.38 124.32 3hou n GLN 60 Ca 0.00 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.05 3hou n GLN 60 Cb 0.56 -1.03 -0.05 0.00 -4.06 0.00 0.00 30.24 25.67 3hou n GLN 60 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3hou n ASP 61 N -0.36 0.64 -0.24 1.69 8.00 -1.26 -4.57 116.55 120.45 3hou n ASP 61 Ca 0.00 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.68 3hou n ASP 61 Cb 0.02 0.90 0.00 0.00 -0.02 0.00 0.00 41.12 42.01 3hou n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hou n ILE 62 N -1.04 0.00 -0.00 0.53 3.06 -0.11 0.17 119.36 121.96 3hou n ILE 62 Ca 0.02 0.00 0.03 0.00 -2.50 0.00 0.00 62.75 60.30 3hou n ILE 62 Cb 0.17 -0.26 -0.04 0.00 0.54 0.00 0.00 39.64 40.05 3hou n ILE 62 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3hou n GLY 63 N -0.02 -0.24 0.77 4.50 0.00 -1.26 -4.54 105.19 104.40 3hou n GLY 63 Ca 0.00 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 45.99 3hou n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hou n SER 64 N -1.68 2.27 -4.42 1.61 3.41 0.44 -4.77 113.62 110.48 3hou n SER 64 Ca -0.01 -1.88 -0.44 0.00 -0.26 0.00 0.00 58.87 56.28 3hou n SER 64 Cb 0.14 -0.21 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 3hou n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hou s ASP 65 N -1.31 6.25 0.43 4.04 -1.08 -1.23 -4.90 116.67 118.88 3hou s ASP 65 Ca 0.32 -1.32 0.20 0.00 -0.52 0.00 0.00 52.55 51.23 3hou s ASP 65 Cb 0.17 -2.37 1.15 0.00 -1.46 0.00 0.00 42.92 40.41 3hou s ASP 65 CO 0.25 -1.27 1.84 1.55 0.52 0.00 0.00 175.17 178.06 3hou h PRO 66 N 9.31 0.33 -0.52 4.34 0.13 -1.96 -1.25 132.00 142.39 3hou h PRO 66 Ca -0.22 -0.02 0.15 0.00 -0.87 0.00 0.00 66.00 65.04 3hou h PRO 66 Cb 1.07 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 3hou h PRO 66 CO 1.14 0.22 0.40 1.79 -0.23 0.00 0.00 178.00 181.32 3hou h THR 67 N 0.34 0.66 -3.86 1.56 1.35 -1.99 -3.43 112.91 107.54 3hou h THR 67 Ca 0.49 0.00 -0.48 0.00 -0.55 0.00 0.00 66.41 65.87 3hou h THR 67 Cb 1.34 0.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3hou h THR 67 CO -0.18 0.00 0.39 -0.76 -0.25 0.00 0.00 175.52 174.73 3hou s LEU 68 N -8.50 4.39 0.59 3.87 1.43 -0.47 -5.05 118.68 114.94 3hou s LEU 68 Ca -0.05 2.00 -0.16 0.00 -1.03 0.00 0.00 54.13 54.89 3hou s LEU 68 Cb 0.19 -3.90 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 3hou s LEU 68 CO 0.70 -0.15 1.08 -2.16 0.23 0.00 0.00 176.35 176.05 3hou s PRO 69 N -1.88 3.22 -0.07 1.29 0.04 -1.26 -4.97 135.00 131.36 3hou s PRO 69 Ca 0.49 1.33 0.04 0.00 0.04 0.00 0.00 61.00 62.90 3hou s PRO 69 Cb -0.24 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3hou s PRO 69 CO 0.30 -0.91 -0.18 1.03 0.04 0.00 0.00 177.00 177.28 3hou s ARG 70 N -3.88 2.21 0.10 4.56 1.81 -1.26 -3.12 118.95 119.38 3hou s ARG 70 Ca 0.66 -0.64 0.09 0.00 -1.72 0.00 0.00 55.73 54.12 3hou s ARG 70 Cb -0.18 -1.78 -0.04 0.00 -0.45 0.00 0.00 34.95 32.50 3hou s ARG 70 CO 0.35 0.15 -0.18 -1.54 -0.68 0.00 0.00 175.30 173.40 3hou s SER 71 N 0.35 3.85 -0.02 0.23 1.04 -1.13 -4.97 113.70 113.06 3hou s SER 71 Ca -0.13 -0.54 0.09 0.00 0.48 0.00 0.00 55.95 55.86 3hou s SER 71 Cb -0.15 -0.55 0.29 0.00 0.10 0.00 0.00 66.02 65.71 3hou s SER 71 CO 0.05 0.19 1.19 -0.90 0.98 0.00 0.00 173.24 174.76 3hou n ASP 72 N 0.96 1.92 -4.74 7.02 5.75 -1.26 -2.48 116.55 123.72 3hou n ASP 72 Ca -0.16 -2.07 -0.36 0.00 -0.01 0.00 0.00 54.79 52.19 3hou n ASP 72 Cb 0.53 -0.28 0.06 0.00 -1.03 0.00 0.00 41.12 40.39 3hou n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3hou s ARG 73 N -1.61 2.68 -0.15 0.11 0.52 -1.26 -4.64 118.95 114.60 3hou s ARG 73 Ca 0.21 1.87 -0.05 0.00 -0.52 0.00 0.00 55.73 57.24 3hou s ARG 73 Cb 0.12 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.67 3hou s ARG 73 CO 0.13 -1.45 0.04 -1.83 0.02 0.00 0.00 175.30 172.21 3hou s GLU 74 N -3.48 3.65 0.93 3.54 -1.05 -1.25 -3.87 118.70 117.16 3hou s GLU 74 Ca 0.78 -0.37 -0.11 0.00 -0.15 0.00 0.00 54.97 55.12 3hou s GLU 74 Cb -0.32 -3.06 0.09 0.00 -0.44 0.00 0.00 34.13 30.40 3hou s GLU 74 CO 0.38 0.42 0.80 0.00 0.95 0.00 0.00 175.26 177.80 3hou h PRO 76 N -1.71 0.00 0.00 0.00 0.11 -1.95 -3.25 132.00 125.19 3hou h PRO 76 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hou h PRO 76 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3hou h PRO 76 CO 0.38 0.04 0.00 1.63 -0.21 0.00 0.00 178.00 179.84 3hou n LYS 77 N -4.31 0.00 0.00 1.05 5.02 -1.26 -4.76 118.16 113.91 3hou n LYS 77 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3hou n LYS 77 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 3hou n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hou n HIS 79 N -0.21 -1.40 -2.12 0.00 8.25 -1.23 -4.88 115.22 113.63 3hou n HIS 79 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 3hou n HIS 79 Cb 0.00 -1.06 -0.03 0.00 1.12 0.00 0.00 29.99 30.02 3hou n HIS 79 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3hou s SER 80 N -1.45 6.78 -0.16 0.41 0.01 -1.26 -4.56 113.70 113.47 3hou s SER 80 Ca 0.00 2.48 0.01 0.00 1.31 0.00 0.00 55.95 59.76 3hou s SER 80 Cb 0.00 -2.61 0.24 0.00 0.21 0.00 0.00 66.02 63.86 3hou s SER 80 CO 0.00 -0.63 1.33 0.54 0.41 0.00 0.00 173.24 174.88 3hou n ARG 81 N 2.97 1.45 -3.86 12.44 5.12 -1.26 -2.63 116.66 130.89 3hou n ARG 81 Ca 0.08 -1.07 -0.36 0.00 -1.93 0.00 0.00 57.85 54.57 3hou n ARG 81 Cb 0.41 -1.42 -0.13 0.00 -1.16 0.00 0.00 32.46 30.16 3hou n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3hou s GLU 82 N -1.18 2.44 0.09 5.56 2.02 -1.25 -4.26 118.70 122.12 3hou s GLU 82 Ca 0.20 -1.29 0.06 0.00 0.02 0.00 0.00 54.97 53.96 3hou s GLU 82 Cb 0.17 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 31.08 3hou s GLU 82 CO 0.04 -0.67 -0.15 -0.80 0.02 0.00 0.00 175.26 173.70 3hou s ASN 83 N 1.34 1.84 -0.42 -0.19 0.01 -1.03 -2.00 114.94 114.49 3hou s ASN 83 Ca -0.03 -0.67 0.04 0.00 -0.71 0.00 0.00 52.86 51.49 3hou s ASN 83 Cb -0.20 -0.06 0.17 0.00 0.41 0.00 0.00 41.25 41.57 3hou s ASN 83 CO -0.00 -0.08 0.37 0.55 -1.51 0.00 0.00 177.10 176.43 3hou n VAL 84 N 1.09 -1.13 -2.35 1.60 3.14 -1.18 -2.82 118.33 116.68 3hou n VAL 84 Ca -0.20 -3.25 -0.25 0.00 -2.96 0.00 0.00 64.34 57.68 3hou n VAL 84 Cb 0.55 -1.46 0.09 0.00 -1.06 0.00 0.00 33.84 31.96 3hou n VAL 84 CO 0.00 0.00 0.00 0.72 -6.46 0.00 0.00 176.83 171.09 3hou s PHE 85 N 0.10 2.36 0.00 1.45 -0.12 -1.18 -4.05 117.98 116.54 3hou s PHE 85 Ca 0.33 0.14 0.00 0.00 -0.05 0.00 0.00 56.93 57.35 3hou s PHE 85 Cb 0.04 -3.18 0.00 0.00 -0.63 0.00 0.00 43.02 39.25 3hou s PHE 85 CO -0.19 -1.56 0.00 1.97 -0.05 0.00 0.00 175.22 175.39 3hou n PHE 86 N -2.90 0.00 -4.43 3.49 1.16 -0.86 -4.32 117.46 109.60 3hou n PHE 86 Ca 0.11 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.47 3hou n PHE 86 Cb 0.60 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.38 3hou n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3hou s GLN 87 N 1.61 1.70 -0.30 3.97 -0.21 -1.26 -2.87 119.66 122.31 3hou s GLN 87 Ca 0.00 -1.98 -0.37 0.00 0.02 0.00 0.00 55.36 53.02 3hou s GLN 87 Cb 0.00 -0.55 -0.13 0.00 1.00 0.00 0.00 33.01 33.32 3hou s GLN 87 CO 0.00 -0.35 1.99 0.45 -2.12 0.00 0.00 175.29 175.26 3hou n SER 88 N -0.91 2.31 0.00 5.90 2.88 -1.26 -4.74 113.62 117.80 3hou n SER 88 Ca -0.03 0.74 0.03 0.00 -1.33 0.00 0.00 58.87 58.28 3hou n SER 88 Cb 0.66 -1.21 0.19 0.00 -0.75 0.00 0.00 64.21 63.10 3hou n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hou n GLN 89 N 6.96 0.68 -2.82 -1.46 1.13 -1.17 -4.47 117.38 116.24 3hou n GLN 89 Ca 0.34 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.98 3hou n GLN 89 Cb 0.18 -1.15 -0.04 0.00 0.11 0.00 0.00 30.24 29.34 3hou n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3hou s GLN 90 N -2.00 3.31 -1.48 -1.09 0.74 -1.26 -4.82 119.66 113.07 3hou s GLN 90 Ca 0.10 -0.30 -0.12 0.00 0.05 0.00 0.00 55.36 55.09 3hou s GLN 90 Cb 0.04 -4.07 -0.04 0.00 1.10 0.00 0.00 33.01 30.04 3hou s GLN 90 CO 0.08 -1.55 2.59 0.54 -0.55 0.00 0.00 175.29 176.39 3hou n ARG 91 N 7.60 3.19 -4.36 1.67 5.12 -1.26 -4.87 116.66 123.75 3hou n ARG 91 Ca 0.01 -2.28 -0.28 0.00 -1.93 0.00 0.00 57.85 53.37 3hou n ARG 91 Cb 0.47 -2.96 -0.11 0.00 -1.16 0.00 0.00 32.46 28.70 3hou n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3hou s ARG 92 N 2.76 1.70 0.06 5.56 3.52 -1.26 -5.05 118.95 126.23 3hou s ARG 92 Ca 0.59 -1.37 -0.24 0.00 -0.13 0.00 0.00 55.73 54.58 3hou s ARG 92 Cb 0.16 -1.98 -0.17 0.00 -1.56 0.00 0.00 34.95 31.40 3hou s ARG 92 CO -0.06 0.43 1.60 1.57 -0.81 0.00 0.00 175.30 178.03 3hou h LYS 93 N 3.29 -0.01 0.00 5.12 -0.00 -2.04 -3.05 116.57 119.89 3hou h LYS 93 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.17 3hou h LYS 93 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.43 3hou h LYS 93 CO 0.48 0.13 0.00 -0.40 -0.00 0.00 0.00 179.45 179.66 3hou n ASP 94 N -5.03 0.17 -4.38 7.07 5.75 -1.26 -4.85 116.55 114.03 3hou n ASP 94 Ca -0.07 0.56 -0.39 0.00 -0.01 0.00 0.00 54.79 54.88 3hou n ASP 94 Cb 0.09 -0.59 0.02 0.00 -1.03 0.00 0.00 41.12 39.62 3hou n ASP 94 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3hou n THR 95 N -1.71 1.29 -2.85 2.12 -1.04 -1.15 -4.98 114.28 105.95 3hou n THR 95 Ca 0.01 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.05 61.31 3hou n THR 95 Cb 0.09 -0.38 0.02 0.00 -1.82 0.00 0.00 70.33 68.24 3hou n THR 95 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3hou s SER 96 N -1.08 5.54 -0.74 8.00 1.04 -1.26 -5.03 113.70 120.18 3hou s SER 96 Ca 0.63 0.01 -0.02 0.00 0.48 0.00 0.00 55.95 57.06 3hou s SER 96 Cb -0.49 -1.07 0.40 0.00 0.10 0.00 0.00 66.02 64.96 3hou s SER 96 CO 0.59 -0.91 1.99 0.23 0.98 0.00 0.00 173.24 176.13 3hou n MET 97 N -2.15 2.76 -3.29 4.02 2.81 -1.26 -4.65 117.12 115.36 3hou n MET 97 Ca 0.05 -3.45 -0.33 0.00 -1.81 0.00 0.00 57.70 52.16 3hou n MET 97 Cb 0.59 -2.28 -0.06 0.00 -0.71 0.00 0.00 33.22 30.76 3hou n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3hou s VAL 98 N -4.96 4.80 0.19 2.03 1.01 -1.26 -5.07 120.40 117.15 3hou s VAL 98 Ca 0.58 0.77 -0.02 0.00 0.00 0.00 0.00 61.98 63.31 3hou s VAL 98 Cb 0.47 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 3hou s VAL 98 CO -0.21 -0.01 0.39 -0.76 0.00 0.00 0.00 175.10 174.51 3hou s LEU 99 N -2.61 4.23 -0.11 3.92 1.43 -1.26 -4.23 118.68 120.05 3hou s LEU 99 Ca 0.47 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 3hou s LEU 99 Cb -0.12 -3.23 0.01 0.00 0.03 0.00 0.00 46.19 42.88 3hou s LEU 99 CO 0.20 -0.02 -0.18 -0.36 0.23 0.00 0.00 176.35 176.21 3hou s PHE 100 N -1.82 2.17 0.24 0.29 0.40 -1.14 -3.03 117.98 115.09 3hou s PHE 100 Ca 0.39 -0.98 0.08 0.00 -0.60 0.00 0.00 56.93 55.82 3hou s PHE 100 Cb -0.11 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 3hou s PHE 100 CO 0.28 -0.46 0.05 -0.06 0.70 0.00 0.00 175.22 175.72 3hou s PHE 101 N 0.77 2.83 -0.08 0.36 0.40 0.89 -2.02 117.98 121.13 3hou s PHE 101 Ca -0.10 -0.17 -0.02 0.00 -0.60 0.00 0.00 56.93 56.03 3hou s PHE 101 Cb -0.16 -1.29 0.03 0.00 0.51 0.00 0.00 43.02 42.12 3hou s PHE 101 CO 0.01 0.57 0.02 0.08 0.70 0.00 0.00 175.22 176.60 3hou s VAL 102 N -2.14 0.29 0.25 -0.44 1.01 -1.26 -2.28 120.40 115.82 3hou s VAL 102 Ca 0.31 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 3hou s VAL 102 Cb -0.07 -0.51 -0.11 0.00 0.00 0.00 0.00 36.38 35.69 3hou s VAL 102 CO 0.21 0.19 1.56 0.00 0.00 0.00 0.00 175.10 177.06 3hou n LEU 104 N 2.75 0.35 -2.64 0.00 4.77 -0.85 -1.85 117.00 119.53 3hou n LEU 104 Ca 0.10 0.15 -0.29 0.00 -0.03 0.00 0.00 56.01 55.94 3hou n LEU 104 Cb 0.38 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3hou n LEU 104 CO 0.62 0.09 0.42 -1.20 -1.33 0.00 0.00 177.39 175.99 3hou n SER 105 N -1.50 5.17 0.00 -1.43 7.64 -1.26 -4.75 113.62 117.49 3hou n SER 105 Ca 0.06 -3.73 0.00 0.00 1.01 0.00 0.00 58.87 56.21 3hou n SER 105 Cb 0.34 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 3hou n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hou n SER 107 N 0.00 -2.00 -4.52 0.00 7.64 -0.77 -5.01 113.62 108.95 3hou n SER 107 Ca 0.00 -0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 3hou n SER 107 Cb 0.00 -0.50 -0.09 0.00 -1.01 0.00 0.00 64.21 62.61 3hou n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3hou s HIS 108 N -3.00 3.20 -0.94 1.43 5.65 -1.26 -4.81 115.29 115.55 3hou s HIS 108 Ca 0.00 -0.14 -0.24 0.00 0.25 0.00 0.00 55.06 54.93 3hou s HIS 108 Cb -0.00 -2.75 0.01 0.00 -1.18 0.00 0.00 32.58 28.66 3hou s HIS 108 CO 0.00 -0.53 1.67 0.42 -0.65 0.00 0.00 174.74 175.65 3hou s ILE 109 N 2.06 3.69 0.34 0.89 1.01 -1.26 -3.33 121.20 124.60 3hou s ILE 109 Ca 0.12 -0.51 0.08 0.00 0.00 0.00 0.00 60.65 60.34 3hou s ILE 109 Cb -0.17 -4.57 -0.04 0.00 0.01 0.00 0.00 42.46 37.69 3hou s ILE 109 CO 0.12 -1.48 0.17 0.72 0.00 0.00 0.00 174.94 174.47 3hou s PHE 110 N 7.30 2.74 0.53 3.97 -0.12 -0.97 -4.82 117.98 126.62 3hou s PHE 110 Ca 0.56 -0.36 0.02 0.00 -0.05 0.00 0.00 56.93 57.10 3hou s PHE 110 Cb -0.04 -1.66 0.01 0.00 -0.63 0.00 0.00 43.02 40.71 3hou s PHE 110 CO -0.04 0.32 0.12 0.99 -0.05 0.00 0.00 175.22 176.56 3hou s THR 111 N -2.40 1.21 -0.18 -4.49 2.01 -1.26 -0.08 115.64 110.45 3hou s THR 111 Ca 0.38 -1.85 0.09 0.00 0.31 0.00 0.00 61.69 60.62 3hou s THR 111 Cb -0.03 -2.06 0.18 0.00 0.01 0.00 0.00 72.50 70.60 3hou s THR 111 CO 0.23 0.00 1.12 -1.54 -0.69 0.00 0.00 174.62 173.74 3hou n SER 112 N -1.45 2.41 -4.76 3.53 3.41 -1.17 -4.93 113.62 110.66 3hou n SER 112 Ca -0.15 -2.42 -0.37 0.00 -0.26 0.00 0.00 58.87 55.67 3hou n SER 112 Cb 0.66 -0.21 0.02 0.00 -0.26 0.00 0.00 64.21 64.42 3hou n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hou s ASP 113 N -1.64 5.58 -0.24 4.04 -1.08 -1.26 -4.93 116.67 117.14 3hou s ASP 113 Ca 0.17 2.45 0.23 0.00 -0.52 0.00 0.00 52.55 54.88 3hou s ASP 113 Cb 0.13 -2.61 0.50 0.00 -1.46 0.00 0.00 42.92 39.48 3hou s ASP 113 CO 0.04 -1.33 1.12 0.00 0.52 0.00 0.00 175.17 175.51 3hou n GLN 114 N -1.04 1.59 0.00 4.34 6.02 -1.26 -4.72 117.38 122.31 3hou n GLN 114 Ca 0.10 -3.38 0.00 0.00 -0.01 0.00 0.00 57.00 53.72 3hou n GLN 114 Cb 0.48 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.27 3hou n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3hou n LYS 115 N -0.50 0.55 -4.35 -1.09 5.02 -1.26 -5.13 118.16 111.40 3hou n LYS 115 Ca 0.07 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.18 3hou n LYS 115 Cb 0.83 -0.33 -0.10 0.00 -0.02 0.00 0.00 35.03 35.41 3hou n LYS 115 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hou s ASN 116 N -0.86 1.60 -0.05 4.39 0.01 -1.26 -5.16 114.94 113.62 3hou s ASN 116 Ca 0.00 -1.35 -0.02 0.00 -0.71 0.00 0.00 52.86 50.78 3hou s ASN 116 Cb 0.00 0.07 0.03 0.00 0.41 0.00 0.00 41.25 41.76 3hou s ASN 116 CO 0.00 -0.66 0.05 -0.54 -1.51 0.00 0.00 177.10 174.44 3hou s LYS 117 N -3.97 0.06 0.33 -0.60 3.01 -1.26 -4.76 119.74 112.54 3hou s LYS 117 Ca 0.35 0.32 0.09 0.00 -1.01 0.00 0.00 55.97 55.72 3hou s LYS 117 Cb 0.08 -0.59 -0.05 0.00 -1.01 0.00 0.00 37.83 36.26 3hou s LYS 117 CO 0.13 -0.32 0.05 1.03 0.51 0.00 0.00 175.35 176.76 3hou s ARG 118 N 2.07 2.22 0.00 1.68 0.52 -1.26 -5.04 118.95 119.14 3hou s ARG 118 Ca 0.04 -1.62 0.05 0.00 -0.52 0.00 0.00 55.73 53.68 3hou s ARG 118 Cb -0.12 -2.06 -0.02 0.00 0.52 0.00 0.00 34.95 33.28 3hou s ARG 118 CO -0.03 0.17 0.36 2.41 0.02 0.00 0.00 175.30 178.23 3hou n THR 119 N -1.01 0.00 1.06 0.02 -1.04 -1.26 -4.99 114.28 107.06 3hou n THR 119 Ca -0.04 -0.43 0.12 0.00 -2.04 0.00 0.00 64.05 61.66 3hou n THR 119 Cb 0.61 1.04 0.15 0.00 -1.82 0.00 0.00 70.33 70.31 3hou n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43