#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 -3.33 1.09 -1.04 -1.26 -4.93 114.28 104.82 3hou n THR 3 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 3hou n THR 3 Cb 0.00 -0.37 0.03 0.00 -1.82 0.00 0.00 70.33 68.17 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 4.67 1.58 0.29 -1.42 -0.12 -1.26 -5.09 117.98 116.63 3hou s PHE 4 Ca 0.90 -0.74 0.02 0.00 -0.05 0.00 0.00 56.93 57.06 3hou s PHE 4 Cb -1.10 -2.12 -0.02 0.00 -0.63 0.00 0.00 43.02 39.15 3hou s PHE 4 CO 0.48 -0.87 0.29 -0.98 -0.05 0.00 0.00 175.22 174.09 3hou s ARG 5 N -4.51 1.61 0.41 1.99 1.70 -1.26 -5.15 118.95 113.74 3hou s ARG 5 Ca 0.52 -1.80 0.07 0.00 -0.47 0.00 0.00 55.73 54.05 3hou s ARG 5 Cb -0.05 0.34 -0.06 0.00 -0.57 0.00 0.00 34.95 34.61 3hou s ARG 5 CO 0.33 -0.60 0.10 -0.06 -1.08 0.00 0.00 175.30 173.98 3hou s PHE 6 N -3.61 2.57 0.60 5.89 0.40 -1.26 -3.78 117.98 118.79 3hou s PHE 6 Ca 0.37 -0.61 -0.10 0.00 -0.60 0.00 0.00 56.93 55.99 3hou s PHE 6 Cb 0.03 -1.85 -0.04 0.00 0.51 0.00 0.00 43.02 41.67 3hou s PHE 6 CO 0.20 0.32 0.99 0.00 0.70 0.00 0.00 175.22 177.43 3hou n ARG 8 N -2.68 2.88 0.00 0.00 1.74 -1.26 -3.28 116.66 114.07 3hou n ARG 8 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3hou n ARG 8 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 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 -2.71 0.55 9.92 -1.26 -2.02 116.55 121.02 3hou n ASP 9 Ca 0.00 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.88 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 -0.67 0.00 0.00 0.00 2.85 -0.86 -4.85 115.26 111.73 3hou n ASN 11 Ca 0.57 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 55.04 3hou n ASN 11 Cb 0.38 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.40 3hou n ASN 11 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3hou n ASN 12 N 0.00 1.78 -4.90 1.20 5.03 -1.26 -4.94 115.26 112.18 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 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 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 1.05 3.25 -0.20 3.52 -2.45 -1.26 -3.66 119.30 119.54 3hou s MET 13 Ca 0.00 -0.77 -0.04 0.00 -1.25 0.00 0.00 55.69 53.63 3hou s MET 13 Cb 0.00 -2.81 -0.01 0.00 1.25 0.00 0.00 34.83 33.25 3hou s MET 13 CO 0.00 0.47 -0.04 -0.51 1.05 0.00 0.00 175.02 175.99 3hou s LEU 14 N -3.51 3.00 -0.38 4.11 1.43 -1.25 -4.51 118.68 117.57 3hou s LEU 14 Ca 0.33 -0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 52.99 3hou s LEU 14 Cb -0.10 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.38 3hou s LEU 14 CO 0.27 0.04 0.26 -0.31 0.23 0.00 0.00 176.35 176.83 3hou s TYR 15 N 1.14 3.23 0.26 0.29 1.51 0.17 -4.73 117.35 119.22 3hou s TYR 15 Ca 0.02 -0.59 -0.28 0.00 -1.01 0.00 0.00 57.07 55.21 3hou s TYR 15 Cb -0.15 -2.52 -0.15 0.00 -0.11 0.00 0.00 41.96 39.04 3hou s TYR 15 CO -0.00 -0.54 0.92 -0.35 -1.11 0.00 0.00 175.55 174.47 3hou n PRO 16 N 5.10 1.06 -4.38 -1.71 -0.04 -1.26 -2.76 135.00 131.01 3hou n PRO 16 Ca -0.12 0.37 -0.19 0.00 -0.04 0.00 0.00 63.50 63.52 3hou n PRO 16 Cb 0.48 -1.67 -0.10 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.36 1.54 -0.04 0.54 1.81 0.78 -4.88 118.95 117.34 3hou s ARG 17 Ca 0.61 -1.85 0.04 0.00 -1.72 0.00 0.00 55.73 52.81 3hou s ARG 17 Cb -0.76 -0.50 -0.00 0.00 -0.45 0.00 0.00 34.95 33.24 3hou s ARG 17 CO 0.59 -0.27 -0.15 -2.00 -0.68 0.00 0.00 175.30 172.78 3hou s GLU 18 N -3.95 1.59 -0.88 3.54 2.12 -1.26 -0.68 118.70 119.17 3hou s GLU 18 Ca 0.37 -0.53 -0.25 0.00 0.36 0.00 0.00 54.97 54.92 3hou s GLU 18 Cb 0.08 -1.39 0.04 0.00 0.26 0.00 0.00 34.13 33.12 3hou s GLU 18 CO 0.15 0.21 1.35 0.34 -0.54 0.00 0.00 175.26 176.76 3hou s ASP 19 N 0.09 6.35 0.08 -1.70 -1.08 0.51 -4.85 116.67 116.07 3hou s ASP 19 Ca -0.04 -1.02 -0.35 0.00 -0.52 0.00 0.00 52.55 50.62 3hou s ASP 19 Cb -0.11 -2.56 -0.17 0.00 -1.46 0.00 0.00 42.92 38.62 3hou s ASP 19 CO 0.02 -1.64 1.58 0.11 0.52 0.00 0.00 175.17 175.76 3hou h LYS 20 N 9.86 -0.99 0.08 4.34 1.57 -1.97 0.46 116.57 129.92 3hou h LYS 20 Ca -0.03 0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3hou h LYS 20 Cb 1.03 0.22 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 3hou h LYS 20 CO 1.35 -0.66 -0.47 1.49 -0.57 0.00 0.00 179.45 180.59 3hou h GLU 21 N -1.02 -0.65 -0.00 3.15 4.81 -1.99 -2.98 114.58 115.89 3hou h GLU 21 Ca -0.07 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3hou h GLU 21 Cb 0.86 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3hou h GLU 21 CO 0.01 -0.43 -0.23 0.09 -0.73 0.00 0.00 179.01 177.71 3hou n ASN 22 N -5.47 0.41 -2.73 1.04 3.02 -1.23 -5.00 115.26 105.31 3hou n ASN 22 Ca -0.07 -0.21 -0.01 0.00 -0.03 0.00 0.00 54.58 54.25 3hou n ASN 22 Cb 0.39 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 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 -1.26 -6.74 -3.50 6.41 4.13 0.16 -5.05 115.26 109.40 3hou n ASN 23 Ca 0.09 0.05 -0.17 0.00 1.68 0.00 0.00 54.58 56.24 3hou n ASN 23 Cb 0.32 -4.52 -0.05 0.00 -1.54 0.00 0.00 39.78 33.99 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 -2.84 1.08 -0.03 3.52 1.70 -1.10 -4.97 118.95 116.30 3hou s ARG 24 Ca 0.05 0.12 -0.27 0.00 -0.47 0.00 0.00 55.73 55.15 3hou s ARG 24 Cb -0.01 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.84 3hou s ARG 24 CO 0.61 -0.37 0.86 -1.17 -1.08 0.00 0.00 175.30 174.16 3hou s LEU 25 N -1.48 4.34 -0.08 -1.89 2.96 -1.26 -0.36 118.68 120.90 3hou s LEU 25 Ca -0.08 1.46 0.02 0.00 -0.22 0.00 0.00 54.13 55.30 3hou s LEU 25 Cb -0.00 -3.37 0.02 0.00 0.50 0.00 0.00 46.19 43.34 3hou s LEU 25 CO 0.05 -0.21 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.00 3hou s LEU 26 N 0.96 1.55 -0.14 -0.68 1.43 0.14 0.36 118.68 122.30 3hou s LEU 26 Ca 0.46 -0.32 -0.16 0.00 -1.03 0.00 0.00 54.13 53.08 3hou s LEU 26 Cb -0.20 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 3hou s LEU 26 CO 0.24 -0.01 0.39 -0.36 0.23 0.00 0.00 176.35 176.83 3hou s PHE 27 N 0.97 3.48 0.20 0.29 2.99 0.02 0.28 117.98 126.21 3hou s PHE 27 Ca -0.09 0.73 0.03 0.00 0.00 0.00 0.00 56.93 57.61 3hou s PHE 27 Cb -0.15 -2.45 -0.05 0.00 0.00 0.00 0.00 43.02 40.37 3hou s PHE 27 CO -0.00 0.19 -0.01 -1.83 -0.00 0.00 0.00 175.22 173.56 3hou s GLU 28 N 0.60 1.24 0.06 0.44 -1.05 -1.11 -1.07 118.70 117.80 3hou s GLU 28 Ca 0.21 -1.61 -0.03 0.00 -0.15 0.00 0.00 54.97 53.39 3hou s GLU 28 Cb -0.14 -0.50 -0.05 0.00 -0.44 0.00 0.00 34.13 33.00 3hou s GLU 28 CO 0.07 -0.09 0.27 0.00 0.95 0.00 0.00 175.26 176.46 3hou n ARG 30 N 0.50 2.71 -0.06 0.00 1.74 -1.26 -4.46 116.66 115.83 3hou n ARG 30 Ca -0.06 -2.42 -0.09 0.00 -0.77 0.00 0.00 57.85 54.50 3hou n ARG 30 Cb 0.52 -1.53 -0.05 0.00 -1.02 0.00 0.00 32.46 30.37 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 -0.30 0.69 -2.52 0.55 -1.04 -1.26 -5.06 114.28 105.35 3hou n THR 31 Ca 0.15 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 3hou n THR 31 Cb 0.65 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 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 2.46 -4.46 0.00 7.64 -1.26 -4.74 113.62 113.26 3hou n SER 33 Ca 0.00 -1.86 -0.36 0.00 1.01 0.00 0.00 58.87 57.66 3hou n SER 33 Cb 0.00 -0.13 0.06 0.00 -1.01 0.00 0.00 64.21 63.13 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 0.29 -0.87 -3.64 1.43 9.36 -1.26 -4.87 117.16 117.59 3hou n TYR 34 Ca 0.08 0.36 -0.07 0.00 3.32 0.00 0.00 57.90 61.58 3hou n TYR 34 Cb 0.34 -1.91 -0.07 0.00 -0.63 0.00 0.00 39.34 37.07 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 -1.89 0.00 0.01 2.97 1.01 -1.26 -2.85 120.40 118.38 3hou s VAL 35 Ca 0.65 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.63 3hou s VAL 35 Cb -0.36 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 3hou s VAL 35 CO 0.58 0.00 -0.00 -1.83 0.00 0.00 0.00 175.10 173.85 3hou s GLU 36 N 1.43 0.16 0.63 2.72 -1.05 -0.23 -5.01 118.70 117.34 3hou s GLU 36 Ca -0.08 -0.27 -0.18 0.00 -0.15 0.00 0.00 54.97 54.28 3hou s GLU 36 Cb -0.05 0.06 -0.02 0.00 -0.44 0.00 0.00 34.13 33.68 3hou s GLU 36 CO -0.17 -0.03 1.26 -0.85 0.95 0.00 0.00 175.26 176.43 3hou n GLU 37 N 2.38 1.16 -2.09 -4.83 0.28 -1.26 -0.80 120.64 115.47 3hou n GLU 37 Ca -0.18 0.45 -0.38 0.00 -0.16 0.00 0.00 57.16 56.90 3hou n GLU 37 Cb 0.58 -2.49 0.01 0.00 1.43 0.00 0.00 31.44 30.96 3hou n GLU 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hou s ALA 38 N -1.39 2.96 -0.14 -1.84 0.00 0.16 -4.68 121.76 116.83 3hou s ALA 38 Ca 0.81 1.09 0.16 0.00 0.00 0.00 0.00 51.96 54.02 3hou s ALA 38 Cb -0.39 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.21 3hou s ALA 38 CO 0.42 -0.89 1.03 0.78 0.00 0.00 0.00 175.76 177.10 3hou h GLY 39 N 1.96 0.00 -3.16 0.00 0.00 -1.92 -3.48 103.07 96.47 3hou h GLY 39 Ca -0.50 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.77 3hou h GLY 39 CO 0.60 0.00 -0.12 -0.45 0.00 0.00 0.00 176.54 176.56 3hou s SER 40 N -5.97 -0.18 0.00 0.19 0.15 -1.26 -5.04 113.70 101.58 3hou s SER 40 Ca -0.01 -0.34 0.28 0.00 0.70 0.00 0.00 55.95 56.58 3hou s SER 40 Cb 0.08 0.45 1.19 0.00 -1.71 0.00 0.00 66.02 66.03 3hou s SER 40 CO 0.79 -0.81 1.89 -0.81 1.20 0.00 0.00 173.24 175.50 3hou n PRO 41 N -0.13 0.00 -2.45 5.44 -0.04 -1.26 -4.67 135.00 131.90 3hou n PRO 41 Ca -0.16 0.02 -0.39 0.00 -0.04 0.00 0.00 63.50 62.93 3hou n PRO 41 Cb 0.63 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 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 -3.00 3.38 0.11 1.53 2.96 -1.26 -4.85 118.68 117.56 3hou s LEU 42 Ca 0.13 -1.09 -0.02 0.00 -0.22 0.00 0.00 54.13 52.93 3hou s LEU 42 Cb 0.18 -2.57 -0.17 0.00 0.50 0.00 0.00 46.19 44.13 3hou s LEU 42 CO 0.51 -1.80 1.24 0.58 -1.32 0.00 0.00 176.35 175.56 3hou h VAL 43 N 6.76 1.49 -2.77 1.68 2.07 -1.97 -3.47 116.25 120.03 3hou h VAL 43 Ca 0.09 -2.84 -0.11 0.00 0.82 0.00 0.00 66.70 64.66 3hou h VAL 43 Cb 1.02 2.71 -0.22 0.00 -1.52 0.00 0.00 31.29 33.28 3hou h VAL 43 CO 1.36 0.83 -0.21 -0.47 0.02 0.00 0.00 177.57 179.10 3hou s TYR 44 N -2.93 -0.38 -0.03 1.57 5.04 -1.26 -5.09 117.35 114.27 3hou s TYR 44 Ca -0.04 0.81 0.00 0.00 -2.44 0.00 0.00 57.07 55.41 3hou s TYR 44 Cb 0.08 0.16 0.03 0.00 0.35 0.00 0.00 41.96 42.58 3hou s TYR 44 CO 0.86 -0.31 -0.00 0.50 -1.34 0.00 0.00 175.55 175.26 3hou s ARG 45 N -0.46 0.32 -0.09 4.97 6.06 -1.26 -5.07 118.95 123.42 3hou s ARG 45 Ca -0.06 0.07 -0.06 0.00 -2.50 0.00 0.00 55.73 53.18 3hou s ARG 45 Cb -0.03 -0.49 -0.02 0.00 0.06 0.00 0.00 34.95 34.47 3hou s ARG 45 CO 0.03 -0.13 -0.12 1.58 -2.50 0.00 0.00 175.30 174.16 3hou n HIS 46 N 4.12 0.57 -2.45 5.12 -0.00 -1.26 -5.08 115.22 116.24 3hou n HIS 46 Ca -0.27 0.25 -0.05 0.00 -0.00 0.00 0.00 57.72 57.64 3hou n HIS 46 Cb 0.50 -0.57 0.01 0.00 -0.00 0.00 0.00 29.99 29.93 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 -3.75 -1.64 0.23 1.57 2.13 -1.26 -5.01 120.64 112.91 3hou n GLU 47 Ca -0.05 1.62 -0.11 0.00 0.66 0.00 0.00 57.16 59.29 3hou n GLU 47 Cb 0.17 -4.42 -0.05 0.00 0.27 0.00 0.00 31.44 27.41 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 1.36 -0.54 -7.65 4.31 3.38 -2.08 -3.36 115.31 110.73 3hou h LEU 48 Ca 0.00 -0.01 -0.74 0.00 0.09 0.00 0.00 57.88 57.22 3hou h LEU 48 Cb 0.71 0.14 -0.18 0.00 0.09 0.00 0.00 40.66 41.42 3hou h LEU 48 CO 0.14 -0.12 1.33 -0.38 0.09 0.00 0.00 178.44 179.49 3hou n ILE 49 N -5.21 4.29 -0.84 1.22 5.41 -1.26 -5.00 119.36 117.97 3hou n ILE 49 Ca -0.08 -4.77 -0.30 0.00 1.00 0.00 0.00 62.75 58.60 3hou n ILE 49 Cb 0.27 -2.47 0.26 0.00 -0.71 0.00 0.00 39.64 36.99 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 1.29 1.46 0.00 1.39 2.01 -1.26 -5.00 115.64 115.53 3hou s THR 50 Ca 0.42 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.42 3hou s THR 50 Cb -0.03 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 70.14 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 -5.07 0.00 -4.58 3.53 4.13 -1.26 -5.08 115.26 106.93 3hou n ASN 51 Ca 0.13 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.98 3hou n ASN 51 Cb 0.60 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.81 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 3.64 0.00 2.41 -4.36 -1.26 -1.81 121.20 119.82 3hou s ILE 52 Ca 0.00 0.57 0.00 0.00 -0.26 0.00 0.00 60.65 60.96 3hou s ILE 52 Cb 0.00 -4.09 0.00 0.00 1.25 0.00 0.00 42.46 39.62 3hou s ILE 52 CO 0.00 -0.85 0.00 0.61 0.24 0.00 0.00 174.94 174.94 3hou n GLY 53 N 5.36 1.09 0.45 6.27 0.00 -1.26 -4.99 105.19 112.11 3hou n GLY 53 Ca 0.17 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.40 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 0.02 -0.98 1.61 1.02 -0.75 -0.28 120.64 121.28 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 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 29.07 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 -2.93 0.00 -1.14 2.62 -2.24 -1.26 -3.01 114.28 106.32 3hou n THR 55 Ca 0.17 -0.44 -0.38 0.00 -2.27 0.00 0.00 64.05 61.13 3hou n THR 55 Cb 1.31 0.69 0.02 0.00 -2.10 0.00 0.00 70.33 70.25 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 0.22 -4.10 -1.91 6.98 0.00 0.61 -4.34 120.51 117.96 3hou n ALA 56 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3hou n ALA 56 Cb 0.88 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 2.92 0.00 2.70 0.00 0.00 -1.26 -4.97 105.19 104.58 3hou n GLY 57 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 2.02 0.87 -0.96 1.61 0.31 -1.26 -5.06 118.33 115.86 3hou n VAL 58 Ca 0.00 -2.72 -0.35 0.00 -0.01 0.00 0.00 64.34 61.25 3hou n VAL 58 Cb 0.00 0.86 0.06 0.00 -0.91 0.00 0.00 33.84 33.84 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 -0.31 0.00 0.71 2.52 0.24 -1.26 -4.66 118.33 115.58 3hou n VAL 59 Ca 0.06 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 3hou n VAL 59 Cb 0.82 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 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 1.63 0.46 0.00 7.34 -0.06 -1.26 -0.90 117.38 124.59 3hou n GLN 60 Ca -0.00 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 55.04 3hou n GLN 60 Cb 0.55 -1.11 -0.04 0.00 -4.06 0.00 0.00 30.24 25.59 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 -0.15 0.58 -0.21 1.69 8.00 -1.26 -4.56 116.55 120.63 3hou n ASP 61 Ca 0.00 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.71 3hou n ASP 61 Cb 0.05 0.89 0.00 0.00 -0.02 0.00 0.00 41.12 42.04 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 -1.02 0.00 -0.01 0.53 3.06 -0.07 0.17 119.36 122.02 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 0.15 -0.29 -0.06 0.00 0.54 0.00 0.00 39.64 39.99 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 -0.07 -0.33 0.81 4.50 0.00 -1.26 -4.52 105.19 104.31 3hou n GLY 63 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.80 2.36 -4.41 1.61 3.41 0.44 -4.76 113.62 110.47 3hou n SER 64 Ca -0.02 -1.95 -0.44 0.00 -0.26 0.00 0.00 58.87 56.20 3hou n SER 64 Cb 0.24 -0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.13 6.31 0.43 4.04 -1.08 -1.23 -4.90 116.67 119.11 3hou s ASP 65 Ca 0.31 -1.50 0.20 0.00 -0.52 0.00 0.00 52.55 51.04 3hou s ASP 65 Cb 0.17 -2.36 1.15 0.00 -1.46 0.00 0.00 42.92 40.42 3hou s ASP 65 CO 0.22 -1.18 1.82 1.55 0.52 0.00 0.00 175.17 178.10 3hou h PRO 66 N 9.15 0.34 -0.48 4.34 0.13 -1.96 -1.21 132.00 142.31 3hou h PRO 66 Ca -0.17 -0.02 0.14 0.00 -0.87 0.00 0.00 66.00 65.08 3hou h PRO 66 Cb 1.06 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 3hou h PRO 66 CO 1.11 0.22 0.37 1.79 -0.23 0.00 0.00 178.00 181.26 3hou h THR 67 N 0.35 0.67 -3.86 1.56 1.35 -1.99 -3.43 112.91 107.56 3hou h THR 67 Ca 0.52 0.00 -0.49 0.00 -0.55 0.00 0.00 66.41 65.89 3hou h THR 67 Cb 1.40 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3hou h THR 67 CO -0.20 0.00 0.40 -0.76 -0.25 0.00 0.00 175.52 174.71 3hou s LEU 68 N -8.50 4.39 0.60 3.87 1.43 -0.46 -5.05 118.68 114.96 3hou s LEU 68 Ca -0.05 2.04 -0.17 0.00 -1.03 0.00 0.00 54.13 54.92 3hou s LEU 68 Cb 0.19 -3.89 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 3hou s LEU 68 CO 0.69 -0.18 1.09 -2.16 0.23 0.00 0.00 176.35 176.02 3hou s PRO 69 N -1.87 3.19 -0.07 1.29 0.04 -1.26 -4.97 135.00 131.35 3hou s PRO 69 Ca 0.49 1.36 0.03 0.00 0.04 0.00 0.00 61.00 62.93 3hou s PRO 69 Cb -0.25 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3hou s PRO 69 CO 0.31 -0.93 -0.17 1.03 0.04 0.00 0.00 177.00 177.27 3hou s ARG 70 N -3.85 2.17 0.12 4.56 1.81 -1.26 -3.04 118.95 119.46 3hou s ARG 70 Ca 0.67 -0.62 0.09 0.00 -1.72 0.00 0.00 55.73 54.15 3hou s ARG 70 Cb -0.19 -1.74 -0.04 0.00 -0.45 0.00 0.00 34.95 32.53 3hou s ARG 70 CO 0.35 0.13 -0.18 -1.54 -0.68 0.00 0.00 175.30 173.38 3hou s SER 71 N 0.41 3.91 -0.01 0.23 1.04 -1.10 -4.97 113.70 113.20 3hou s SER 71 Ca -0.13 -0.56 0.10 0.00 0.48 0.00 0.00 55.95 55.84 3hou s SER 71 Cb -0.16 -0.56 0.31 0.00 0.10 0.00 0.00 66.02 65.72 3hou s SER 71 CO 0.05 0.17 1.23 -0.90 0.98 0.00 0.00 173.24 174.78 3hou n ASP 72 N 0.76 1.96 -4.74 7.02 5.75 -1.26 -2.42 116.55 123.62 3hou n ASP 72 Ca -0.15 -2.04 -0.36 0.00 -0.01 0.00 0.00 54.79 52.23 3hou n ASP 72 Cb 0.53 -0.26 0.06 0.00 -1.03 0.00 0.00 41.12 40.42 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 -1.57 2.56 -0.14 0.11 0.52 -1.26 -4.63 118.95 114.54 3hou s ARG 73 Ca 0.23 1.87 -0.05 0.00 -0.52 0.00 0.00 55.73 57.27 3hou s ARG 73 Cb 0.13 -1.87 -0.03 0.00 0.52 0.00 0.00 34.95 33.69 3hou s ARG 73 CO 0.15 -1.54 0.02 -1.83 0.02 0.00 0.00 175.30 172.12 3hou s GLU 74 N -3.55 3.57 0.93 3.54 -1.05 -1.26 -3.87 118.70 117.01 3hou s GLU 74 Ca 0.78 -0.40 -0.12 0.00 -0.15 0.00 0.00 54.97 55.08 3hou s GLU 74 Cb -0.32 -3.00 0.08 0.00 -0.44 0.00 0.00 34.13 30.45 3hou s GLU 74 CO 0.39 0.42 0.75 0.00 0.95 0.00 0.00 175.26 177.77 3hou h PRO 76 N -1.66 0.00 0.00 0.00 0.11 -1.95 -3.26 132.00 125.24 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 -4.34 0.00 0.00 1.05 5.02 -1.26 -4.75 118.16 113.88 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 -1.34 -2.10 0.00 8.25 -1.23 -4.88 115.22 113.71 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 -1.10 -0.03 0.00 1.12 0.00 0.00 29.99 29.98 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 -1.42 6.76 -0.16 0.41 0.01 -1.26 -4.56 113.70 113.49 3hou s SER 80 Ca 0.00 2.49 0.01 0.00 1.31 0.00 0.00 55.95 59.76 3hou s SER 80 Cb 0.00 -2.60 0.23 0.00 0.21 0.00 0.00 66.02 63.85 3hou s SER 80 CO 0.00 -0.66 1.33 0.54 0.41 0.00 0.00 173.24 174.86 3hou n ARG 81 N 3.12 1.43 -3.85 12.44 5.12 -1.26 -2.66 116.66 131.01 3hou n ARG 81 Ca 0.09 -1.04 -0.36 0.00 -1.93 0.00 0.00 57.85 54.61 3hou n ARG 81 Cb 0.41 -1.41 -0.13 0.00 -1.16 0.00 0.00 32.46 30.17 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 -1.14 2.50 0.07 5.56 2.02 -1.25 -4.25 118.70 122.22 3hou s GLU 82 Ca 0.20 -1.24 0.05 0.00 0.02 0.00 0.00 54.97 54.00 3hou s GLU 82 Cb 0.17 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 31.07 3hou s GLU 82 CO 0.04 -0.64 -0.14 -0.80 0.02 0.00 0.00 175.26 173.74 3hou s ASN 83 N 1.32 1.65 -0.41 -0.19 0.01 -1.02 -2.15 114.94 114.15 3hou s ASN 83 Ca -0.04 -0.61 0.04 0.00 -0.71 0.00 0.00 52.86 51.54 3hou s ASN 83 Cb -0.20 -0.05 0.17 0.00 0.41 0.00 0.00 41.25 41.59 3hou s ASN 83 CO 0.00 -0.08 0.34 0.54 -1.51 0.00 0.00 177.10 176.40 3hou s VAL 84 N -1.28 0.28 0.71 1.60 0.11 -1.19 -2.71 120.40 117.91 3hou s VAL 84 Ca -0.02 -2.55 -0.04 0.00 -2.93 0.00 0.00 61.98 56.44 3hou s VAL 84 Cb -0.10 -1.21 0.09 0.00 -1.53 0.00 0.00 36.38 33.64 3hou s VAL 84 CO 0.02 -1.19 0.99 0.72 -3.33 0.00 0.00 175.10 172.32 3hou s PHE 85 N 0.14 2.35 0.00 1.54 -0.12 -1.17 -4.01 117.98 116.71 3hou s PHE 85 Ca 0.32 0.11 0.00 0.00 -0.05 0.00 0.00 56.93 57.31 3hou s PHE 85 Cb 0.02 -3.15 0.00 0.00 -0.63 0.00 0.00 43.02 39.26 3hou s PHE 85 CO -0.18 -1.53 0.00 1.97 -0.05 0.00 0.00 175.22 175.42 3hou n PHE 86 N -2.87 0.00 -4.44 3.49 1.16 -0.92 -4.28 117.46 109.60 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 1.71 1.75 -0.29 3.97 -0.21 -1.26 -2.87 119.66 122.45 3hou s GLN 87 Ca 0.00 -2.03 -0.36 0.00 0.02 0.00 0.00 55.36 52.99 3hou s GLN 87 Cb 0.00 -0.50 -0.12 0.00 1.00 0.00 0.00 33.01 33.39 3hou s GLN 87 CO 0.00 -0.40 2.03 0.45 -2.12 0.00 0.00 175.29 175.25 3hou n SER 88 N -1.03 2.42 0.00 5.90 2.88 -1.26 -4.74 113.62 117.80 3hou n SER 88 Ca -0.03 0.67 0.04 0.00 -1.33 0.00 0.00 58.87 58.23 3hou n SER 88 Cb 0.65 -1.25 0.25 0.00 -0.75 0.00 0.00 64.21 63.11 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 7.25 0.65 -2.78 -1.46 1.13 -1.17 -4.46 117.38 116.54 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 0.21 -1.20 -0.04 0.00 0.11 0.00 0.00 30.24 29.32 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 -1.43 -1.09 0.74 -1.26 -4.82 119.66 113.11 3hou s GLN 90 Ca 0.13 -0.28 -0.12 0.00 0.05 0.00 0.00 55.36 55.14 3hou s GLN 90 Cb 0.06 -4.08 -0.05 0.00 1.10 0.00 0.00 33.01 30.04 3hou s GLN 90 CO 0.10 -1.61 2.55 0.54 -0.55 0.00 0.00 175.29 176.32 3hou n ARG 91 N 7.78 3.08 -4.36 1.67 5.12 -1.26 -4.87 116.66 123.83 3hou n ARG 91 Ca 0.02 -2.22 -0.27 0.00 -1.93 0.00 0.00 57.85 53.44 3hou n ARG 91 Cb 0.47 -2.93 -0.11 0.00 -1.16 0.00 0.00 32.46 28.73 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 2.85 1.72 0.05 5.56 3.52 -1.26 -5.05 118.95 126.34 3hou s ARG 92 Ca 0.58 -1.38 -0.24 0.00 -0.13 0.00 0.00 55.73 54.56 3hou s ARG 92 Cb 0.16 -1.99 -0.17 0.00 -1.56 0.00 0.00 34.95 31.39 3hou s ARG 92 CO -0.05 0.43 1.56 1.57 -0.81 0.00 0.00 175.30 177.99 3hou h LYS 93 N 3.24 -0.03 0.00 5.12 -0.00 -2.04 -3.07 116.57 119.79 3hou h LYS 93 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 3hou h LYS 93 Cb 1.20 0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.43 3hou h LYS 93 CO 0.49 0.16 0.00 -0.40 -0.00 0.00 0.00 179.45 179.70 3hou n ASP 94 N -5.02 0.08 -4.39 7.07 5.75 -1.26 -4.85 116.55 113.94 3hou n ASP 94 Ca -0.08 0.53 -0.40 0.00 -0.01 0.00 0.00 54.79 54.84 3hou n ASP 94 Cb 0.12 -0.54 0.02 0.00 -1.03 0.00 0.00 41.12 39.68 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 -1.60 1.37 -2.90 2.12 -1.04 -1.16 -4.98 114.28 106.10 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 0.08 -0.40 0.02 0.00 -1.82 0.00 0.00 70.33 68.21 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 -1.05 5.62 -0.74 8.00 1.04 -1.26 -5.02 113.70 120.28 3hou s SER 96 Ca 0.63 0.08 -0.02 0.00 0.48 0.00 0.00 55.95 57.13 3hou s SER 96 Cb -0.52 -1.19 0.40 0.00 0.10 0.00 0.00 66.02 64.81 3hou s SER 96 CO 0.59 -0.85 1.98 0.23 0.98 0.00 0.00 173.24 176.17 3hou n MET 97 N -2.13 2.77 -3.29 4.02 2.81 -1.26 -4.64 117.12 115.40 3hou n MET 97 Ca 0.04 -3.47 -0.33 0.00 -1.81 0.00 0.00 57.70 52.13 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 -4.98 4.81 0.16 2.03 1.01 -1.26 -5.07 120.40 117.10 3hou s VAL 98 Ca 0.57 0.76 -0.03 0.00 0.00 0.00 0.00 61.98 63.28 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 -0.22 -0.03 0.37 -0.76 0.00 0.00 0.00 175.10 174.46 3hou s LEU 99 N -2.64 4.25 -0.13 3.92 1.43 -1.26 -4.24 118.68 120.01 3hou s LEU 99 Ca 0.47 0.52 0.02 0.00 -1.03 0.00 0.00 54.13 54.11 3hou s LEU 99 Cb -0.12 -3.26 0.01 0.00 0.03 0.00 0.00 46.19 42.86 3hou s LEU 99 CO 0.20 0.02 -0.17 -0.36 0.23 0.00 0.00 176.35 176.27 3hou s PHE 100 N -1.72 2.27 0.25 0.29 0.40 -1.14 -2.98 117.98 115.35 3hou s PHE 100 Ca 0.40 -1.14 0.08 0.00 -0.60 0.00 0.00 56.93 55.66 3hou s PHE 100 Cb -0.12 -1.60 -0.04 0.00 0.51 0.00 0.00 43.02 41.77 3hou s PHE 100 CO 0.26 -0.57 0.14 -0.06 0.70 0.00 0.00 175.22 175.69 3hou s PHE 101 N 1.03 3.00 -0.08 0.36 0.40 0.83 -2.17 117.98 121.36 3hou s PHE 101 Ca -0.04 -0.13 -0.02 0.00 -0.60 0.00 0.00 56.93 56.14 3hou s PHE 101 Cb -0.15 -1.36 0.03 0.00 0.51 0.00 0.00 43.02 42.06 3hou s PHE 101 CO -0.04 0.55 0.02 0.08 0.70 0.00 0.00 175.22 176.53 3hou s VAL 102 N -2.14 0.30 0.27 -0.44 1.01 -1.26 -2.33 120.40 115.82 3hou s VAL 102 Ca 0.32 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 3hou s VAL 102 Cb -0.08 -0.53 -0.11 0.00 0.00 0.00 0.00 36.38 35.67 3hou s VAL 102 CO 0.23 0.18 1.53 0.00 0.00 0.00 0.00 175.10 177.05 3hou n LEU 104 N 2.40 0.46 -2.61 0.00 4.77 -0.92 -1.70 117.00 119.40 3hou n LEU 104 Ca 0.08 0.06 -0.29 0.00 -0.03 0.00 0.00 56.01 55.83 3hou n LEU 104 Cb 0.39 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3hou n LEU 104 CO 0.62 0.11 0.39 -1.20 -1.33 0.00 0.00 177.39 175.98 3hou n SER 105 N -1.40 5.10 0.00 -1.43 7.64 -1.26 -4.75 113.62 117.52 3hou n SER 105 Ca 0.07 -3.73 0.00 0.00 1.01 0.00 0.00 58.87 56.22 3hou n SER 105 Cb 0.33 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 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 -2.27 -4.51 0.00 7.64 -0.69 -5.01 113.62 108.79 3hou n SER 107 Ca 0.00 -0.05 -0.42 0.00 1.01 0.00 0.00 58.87 59.41 3hou n SER 107 Cb 0.00 -0.91 -0.10 0.00 -1.01 0.00 0.00 64.21 62.19 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 -3.03 3.21 -0.93 1.43 5.65 -1.26 -4.82 115.29 115.55 3hou s HIS 108 Ca 0.04 -0.26 -0.24 0.00 0.25 0.00 0.00 55.06 54.84 3hou s HIS 108 Cb -0.02 -2.64 0.00 0.00 -1.18 0.00 0.00 32.58 28.75 3hou s HIS 108 CO 0.07 -0.49 1.68 0.42 -0.65 0.00 0.00 174.74 175.76 3hou s ILE 109 N 1.88 3.67 0.35 0.89 1.01 -1.26 -3.31 121.20 124.43 3hou s ILE 109 Ca 0.09 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.36 3hou s ILE 109 Cb -0.17 -4.52 -0.04 0.00 0.01 0.00 0.00 42.46 37.73 3hou s ILE 109 CO 0.11 -1.44 0.15 0.72 0.00 0.00 0.00 174.94 174.48 3hou s PHE 110 N 7.51 2.70 0.53 3.97 -0.12 -0.98 -4.82 117.98 126.76 3hou s PHE 110 Ca 0.57 -0.40 0.02 0.00 -0.05 0.00 0.00 56.93 57.07 3hou s PHE 110 Cb -0.04 -1.67 0.01 0.00 -0.63 0.00 0.00 43.02 40.69 3hou s PHE 110 CO -0.03 0.32 0.11 0.99 -0.05 0.00 0.00 175.22 176.56 3hou s THR 111 N -2.44 1.18 -0.23 -4.49 2.01 -1.26 -0.12 115.64 110.29 3hou s THR 111 Ca 0.38 -1.87 0.06 0.00 0.31 0.00 0.00 61.69 60.57 3hou s THR 111 Cb -0.02 -2.05 0.13 0.00 0.01 0.00 0.00 72.50 70.57 3hou s THR 111 CO 0.23 0.00 1.10 -1.54 -0.69 0.00 0.00 174.62 173.71 3hou n SER 112 N -1.43 2.35 -4.75 3.53 3.41 -1.16 -4.93 113.62 110.64 3hou n SER 112 Ca -0.16 -2.19 -0.37 0.00 -0.26 0.00 0.00 58.87 55.89 3hou n SER 112 Cb 0.66 -0.13 0.04 0.00 -0.26 0.00 0.00 64.21 64.51 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 -1.29 5.25 -0.23 4.04 -1.08 -1.26 -4.93 116.67 117.16 3hou s ASP 113 Ca 0.11 2.53 0.23 0.00 -0.52 0.00 0.00 52.55 54.91 3hou s ASP 113 Cb 0.08 -2.61 0.50 0.00 -1.46 0.00 0.00 42.92 39.43 3hou s ASP 113 CO 0.04 -1.56 1.12 0.00 0.52 0.00 0.00 175.17 175.29 3hou n GLN 114 N -1.32 1.55 0.00 4.34 6.02 -1.26 -4.72 117.38 121.99 3hou n GLN 114 Ca 0.12 -3.34 0.00 0.00 -0.01 0.00 0.00 57.00 53.77 3hou n GLN 114 Cb 0.48 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.30 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 -0.49 1.10 -4.34 -1.09 5.02 -1.26 -5.13 118.16 111.97 3hou n LYS 115 Ca 0.07 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.18 3hou n LYS 115 Cb 0.84 -0.31 -0.10 0.00 -0.02 0.00 0.00 35.03 35.43 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 -0.70 1.66 -0.04 4.39 0.01 -1.26 -5.16 114.94 113.84 3hou s ASN 116 Ca 0.00 -1.30 -0.02 0.00 -0.71 0.00 0.00 52.86 50.83 3hou s ASN 116 Cb 0.00 0.05 0.03 0.00 0.41 0.00 0.00 41.25 41.74 3hou s ASN 116 CO 0.00 -0.61 0.04 -0.54 -1.51 0.00 0.00 177.10 174.49 3hou s LYS 117 N -3.93 0.07 0.32 -0.60 3.01 -1.26 -4.76 119.74 112.58 3hou s LYS 117 Ca 0.33 0.31 0.09 0.00 -1.01 0.00 0.00 55.97 55.68 3hou s LYS 117 Cb 0.07 -0.58 -0.05 0.00 -1.01 0.00 0.00 37.83 36.26 3hou s LYS 117 CO 0.11 -0.31 0.02 1.03 0.51 0.00 0.00 175.35 176.72 3hou s ARG 118 N 2.03 2.18 0.00 1.68 0.52 -1.26 -5.04 118.95 119.05 3hou s ARG 118 Ca 0.04 -1.61 0.05 0.00 -0.52 0.00 0.00 55.73 53.68 3hou s ARG 118 Cb -0.12 -2.04 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 3hou s ARG 118 CO -0.03 0.21 0.39 2.41 0.02 0.00 0.00 175.30 178.29 3hou n THR 119 N -0.96 0.00 1.04 0.02 -1.04 -1.26 -4.99 114.28 107.10 3hou n THR 119 Ca -0.05 -0.44 0.12 0.00 -2.04 0.00 0.00 64.05 61.64 3hou n THR 119 Cb 0.61 1.04 0.14 0.00 -1.82 0.00 0.00 70.33 70.30 3hou n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43