#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tz0 n TYR 3 N 0.00 0.00 -3.47 1.61 0.53 -1.26 -5.07 117.16 109.50 1tz0 n TYR 3 Ca 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 57.90 56.89 1tz0 n TYR 3 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 38.27 1tz0 n TYR 3 CO 0.00 0.00 0.00 0.12 -1.02 0.00 0.00 176.86 175.96 1tz0 s PHE 5 N 2.27 -0.84 -0.13 -0.72 5.36 -0.25 -4.31 117.98 119.37 1tz0 s PHE 5 Ca 0.00 1.46 0.01 0.00 -0.96 0.00 0.00 56.93 57.43 1tz0 s PHE 5 Cb 0.00 0.50 -0.01 0.00 -0.34 0.00 0.00 43.02 43.17 1tz0 s PHE 5 CO 0.00 -0.42 -0.15 0.42 -1.46 0.00 0.00 175.22 173.61 1tz0 s ILE 6 N 2.53 2.77 -0.14 3.12 1.01 -0.00 -0.97 121.20 129.52 1tz0 s ILE 6 Ca -0.04 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 59.81 1tz0 s ILE 6 Cb -0.07 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 1tz0 s ILE 6 CO -0.18 0.53 0.03 -0.70 0.00 0.00 0.00 174.94 174.62 1tz0 s GLU 7 N 0.50 3.57 0.06 2.79 2.12 -0.16 -0.71 118.70 126.86 1tz0 s GLU 7 Ca -0.10 -0.38 0.09 0.00 0.36 0.00 0.00 54.97 54.94 1tz0 s GLU 7 Cb -0.16 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 1tz0 s GLU 7 CO 0.04 0.45 -0.24 0.95 -0.54 0.00 0.00 175.26 175.92 1tz0 s THR 8 N -0.15 1.98 -0.18 -1.70 -4.23 0.05 -1.12 115.64 110.28 1tz0 s THR 8 Ca 0.06 -1.38 -0.01 0.00 -1.18 0.00 0.00 61.69 59.18 1tz0 s THR 8 Cb -0.12 -1.71 0.05 0.00 1.34 0.00 0.00 72.50 72.05 1tz0 s THR 8 CO 0.02 0.26 -0.04 -0.75 -0.54 0.00 0.00 174.62 173.57 1tz0 s LYS 9 N -1.34 1.32 -0.35 3.99 2.20 -0.23 -1.55 119.74 123.77 1tz0 s LYS 9 Ca 0.10 -0.60 -0.10 0.00 -0.36 0.00 0.00 55.97 55.02 1tz0 s LYS 9 Cb -0.10 -2.14 0.02 0.00 -1.51 0.00 0.00 37.83 34.10 1tz0 s LYS 9 CO 0.03 -0.51 0.17 0.99 -0.36 0.00 0.00 175.35 175.67 1tz0 s THR 10 N 1.63 4.45 -0.32 3.43 2.01 -0.20 -0.72 115.64 125.92 1tz0 s THR 10 Ca -0.01 -0.77 -0.15 0.00 0.31 0.00 0.00 61.69 61.07 1tz0 s THR 10 Cb -0.16 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 68.90 1tz0 s THR 10 CO -0.07 -0.13 0.38 -0.36 -0.69 0.00 0.00 174.62 173.75 1tz0 s PHE 11 N 1.55 3.22 -0.14 4.92 0.08 0.40 -1.31 117.98 126.69 1tz0 s PHE 11 Ca 0.02 0.16 -0.18 0.00 0.12 0.00 0.00 56.93 57.06 1tz0 s PHE 11 Cb -0.19 -2.67 -0.04 0.00 -0.57 0.00 0.00 43.02 39.56 1tz0 s PHE 11 CO 0.06 -0.37 0.47 0.99 -0.10 0.00 0.00 175.22 176.27 1tz0 s THR 12 N 2.09 5.18 0.14 0.64 2.01 -0.08 -0.51 115.64 125.10 1tz0 s THR 12 Ca 0.14 0.91 0.01 0.00 0.31 0.00 0.00 61.69 63.06 1tz0 s THR 12 Cb -0.16 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1tz0 s THR 12 CO 0.11 0.30 0.01 0.68 -0.69 0.00 0.00 174.62 175.03 1tz0 s VAL 13 N 0.85 0.46 0.55 3.82 -7.23 -0.14 -0.34 120.40 118.37 1tz0 s VAL 13 Ca 0.25 -1.94 -0.19 0.00 -1.81 0.00 0.00 61.98 58.28 1tz0 s VAL 13 Cb -0.15 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 1tz0 s VAL 13 CO 0.10 -0.56 1.15 -0.54 -0.31 0.00 0.00 175.10 174.93 1tz0 s LYS 14 N -3.95 3.29 0.11 4.82 1.02 -0.12 -1.10 119.74 123.81 1tz0 s LYS 14 Ca 0.21 1.67 -0.36 0.00 0.02 0.00 0.00 55.97 57.52 1tz0 s LYS 14 Cb 0.07 -2.01 -0.16 0.00 -0.52 0.00 0.00 37.83 35.21 1tz0 s LYS 14 CO 0.01 -0.92 1.37 -1.91 -0.92 0.00 0.00 175.35 172.98 1tz0 n GLU 15 N -1.33 1.36 -0.68 1.68 2.13 -1.26 -1.69 120.64 120.86 1tz0 n GLU 15 Ca 0.12 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.43 1tz0 n GLU 15 Cb 0.50 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.08 1tz0 n GLU 15 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tz0 n GLY 16 N 2.62 0.80 0.24 8.31 0.00 -1.26 -4.92 105.19 110.98 1tz0 n GLY 16 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 1tz0 n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tz0 n THR 17 N -2.13 0.54 -0.26 2.61 -2.24 -0.68 -4.68 114.28 107.43 1tz0 n THR 17 Ca 0.00 -0.77 0.14 0.00 -2.27 0.00 0.00 64.05 61.14 1tz0 n THR 17 Cb 0.00 0.77 0.41 0.00 -2.10 0.00 0.00 70.33 69.41 1tz0 n THR 17 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1tz0 h SER 18 N 0.92 0.60 0.04 3.42 4.64 -1.92 -2.08 113.55 119.18 1tz0 h SER 18 Ca 0.00 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1tz0 h SER 18 Cb 0.42 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1tz0 h SER 18 CO 0.00 0.29 -0.01 -1.13 -0.87 0.00 0.00 176.83 175.11 1tz0 h ASN 19 N 0.63 0.00 -0.56 4.97 -1.24 -1.98 -1.86 115.58 115.54 1tz0 h ASN 19 Ca 0.46 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.38 1tz0 h ASN 19 Cb 0.83 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.85 1tz0 h ASN 19 CO -0.21 0.01 0.02 0.40 -1.29 0.00 0.00 177.43 176.36 1tz0 h ILE 20 N 0.00 1.26 -0.52 2.57 2.04 -1.74 -0.39 117.51 120.73 1tz0 h ILE 20 Ca -0.00 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 1tz0 h ILE 20 Cb 0.03 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1tz0 h ILE 20 CO 0.00 0.39 0.24 0.58 0.00 0.00 0.00 178.15 179.36 1tz0 h VAL 21 N 0.87 1.20 -0.29 1.67 2.07 -1.49 -1.38 116.25 118.91 1tz0 h VAL 21 Ca 0.16 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1tz0 h VAL 21 Cb 0.52 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1tz0 h VAL 21 CO 0.03 0.23 0.18 0.58 0.02 0.00 0.00 177.57 178.60 1tz0 h VAL 22 N 0.70 1.10 -0.41 2.57 2.07 -1.07 -2.48 116.25 118.72 1tz0 h VAL 22 Ca 0.18 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1tz0 h VAL 22 Cb 0.14 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1tz0 h VAL 22 CO -0.02 0.10 0.15 -0.08 0.02 0.00 0.00 177.57 177.73 1tz0 h GLU 23 N 0.37 0.63 -0.94 1.57 4.81 -1.04 -2.63 114.58 117.35 1tz0 h GLU 23 Ca 0.10 -0.13 0.13 0.00 -0.13 0.00 0.00 59.36 59.34 1tz0 h GLU 23 Cb 0.00 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.21 1tz0 h GLU 23 CO -0.02 0.61 0.60 -0.09 -0.73 0.00 0.00 179.01 179.37 1tz0 h ARG 24 N 0.52 0.80 -0.66 1.92 2.43 -0.96 -2.32 114.38 116.11 1tz0 h ARG 24 Ca 0.14 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1tz0 h ARG 24 Cb 0.23 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1tz0 h ARG 24 CO -0.01 0.53 0.00 1.19 -1.51 0.00 0.00 179.97 180.17 1tz0 n PHE 25 N -4.59 1.34 -4.04 2.20 3.72 -0.96 -4.35 117.46 110.78 1tz0 n PHE 25 Ca 0.18 -0.55 -0.35 0.00 -0.05 0.00 0.00 57.45 56.68 1tz0 n PHE 25 Cb 0.42 -0.19 -0.11 0.00 -0.94 0.00 0.00 39.48 38.65 1tz0 n PHE 25 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1tz0 s THR 26 N -1.70 4.38 0.00 4.37 2.01 -0.87 -4.95 115.64 118.88 1tz0 s THR 26 Ca 0.48 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1tz0 s THR 26 Cb 0.30 -2.98 0.00 0.00 0.01 0.00 0.00 72.50 69.83 1tz0 s THR 26 CO 0.25 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 175.22 1tz0 n GLY 27 N 3.96 3.50 3.77 4.40 0.00 -1.26 -4.95 105.19 114.60 1tz0 n GLY 27 Ca -0.17 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 1tz0 n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tz0 s GLU 28 N -2.67 4.33 0.00 1.61 2.12 -1.26 -4.60 118.70 118.23 1tz0 s GLU 28 Ca 0.00 2.25 0.00 0.00 0.36 0.00 0.00 54.97 57.58 1tz0 s GLU 28 Cb 0.00 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.32 1tz0 s GLU 28 CO 0.00 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 1tz0 n GLY 29 N 1.02 4.92 0.07 -1.50 0.00 -1.19 -2.43 105.19 106.08 1tz0 n GLY 29 Ca 0.01 -1.17 -0.06 0.00 0.00 0.00 0.00 46.02 44.79 1tz0 n GLY 29 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1tz0 n ILE 30 N 0.00 1.02 -0.31 -0.61 5.41 -1.26 -4.59 119.36 119.02 1tz0 n ILE 30 Ca 0.00 -0.67 0.10 0.00 1.00 0.00 0.00 62.75 63.17 1tz0 n ILE 30 Cb 0.00 -0.49 0.31 0.00 -0.71 0.00 0.00 39.64 38.75 1tz0 n ILE 30 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 1tz0 h ILE 31 N 0.00 0.87 0.00 1.39 2.10 -1.87 0.25 117.51 120.25 1tz0 h ILE 31 Ca -0.40 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.25 1tz0 h ILE 31 Cb 1.90 -0.03 0.00 0.00 -1.09 0.00 0.00 36.82 37.60 1tz0 h ILE 31 CO 0.02 0.15 0.00 -1.84 -1.08 0.00 0.00 178.15 175.40 1tz0 n GLU 32 N -4.59 0.05 0.00 2.19 0.00 -1.26 -1.57 120.64 115.46 1tz0 n GLU 32 Ca 0.18 0.21 0.12 0.00 0.00 0.00 0.00 57.16 57.67 1tz0 n GLU 32 Cb 0.42 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.46 1tz0 n GLU 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1tz0 n LYS 33 N -1.45 1.95 -3.23 3.44 5.02 0.07 -4.93 118.16 119.02 1tz0 n LYS 33 Ca 0.05 -1.58 -0.39 0.00 -2.02 0.00 0.00 58.31 54.37 1tz0 n LYS 33 Cb 0.17 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 1tz0 n LYS 33 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1tz0 s PHE 34 N -2.14 3.81 0.19 2.13 5.36 -0.61 -4.98 117.98 121.73 1tz0 s PHE 34 Ca 0.26 1.31 -0.33 0.00 -0.96 0.00 0.00 56.93 57.21 1tz0 s PHE 34 Cb 0.20 -2.54 -0.13 0.00 -0.34 0.00 0.00 43.02 40.21 1tz0 s PHE 34 CO 0.38 0.56 1.65 -1.91 -1.46 0.00 0.00 175.22 174.45 1tz0 n GLU 35 N 1.79 2.48 0.00 10.12 4.07 -1.26 -2.10 120.64 135.73 1tz0 n GLU 35 Ca -0.09 0.89 0.00 0.00 -0.06 0.00 0.00 57.16 57.90 1tz0 n GLU 35 Cb 0.50 -2.70 0.00 0.00 -0.06 0.00 0.00 31.44 29.18 1tz0 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1tz0 n GLY 36 N 3.70 0.94 3.74 8.31 0.00 -1.26 -4.88 105.19 115.73 1tz0 n GLY 36 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1tz0 n GLY 36 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1tz0 s PHE 37 N -2.24 3.17 -0.11 1.61 5.36 -0.89 -0.07 117.98 124.81 1tz0 s PHE 37 Ca 0.00 1.18 -0.12 0.00 -0.96 0.00 0.00 56.93 57.03 1tz0 s PHE 37 Cb 0.00 -3.67 -0.04 0.00 -0.34 0.00 0.00 43.02 38.97 1tz0 s PHE 37 CO 0.00 -2.11 -0.23 -0.89 -1.46 0.00 0.00 175.22 170.53 1tz0 n ILE 38 N 2.40 1.06 -3.61 3.12 5.41 0.15 -4.85 119.36 123.04 1tz0 n ILE 38 Ca 0.06 0.25 -0.09 0.00 1.00 0.00 0.00 62.75 63.97 1tz0 n ILE 38 Cb 0.42 -2.05 -0.02 0.00 -0.71 0.00 0.00 39.64 37.28 1tz0 n ILE 38 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 1tz0 s ASP 39 N -5.41 -0.39 -0.05 4.38 1.47 -1.12 -5.00 116.67 110.55 1tz0 s ASP 39 Ca -0.19 -0.24 0.05 0.00 1.18 0.00 0.00 52.55 53.35 1tz0 s ASP 39 Cb 0.03 0.59 -0.01 0.00 -0.34 0.00 0.00 42.92 43.19 1tz0 s ASP 39 CO 0.28 -1.02 -0.20 -0.22 0.68 0.00 0.00 175.17 174.69 1tz0 s LEU 40 N -2.78 1.97 -0.02 2.11 0.20 -1.26 -0.51 118.68 118.38 1tz0 s LEU 40 Ca 0.06 -0.41 0.02 0.00 0.69 0.00 0.00 54.13 54.49 1tz0 s LEU 40 Cb -0.03 -1.11 0.01 0.00 -0.43 0.00 0.00 46.19 44.63 1tz0 s LEU 40 CO -0.04 0.18 -0.06 -0.44 -0.29 0.00 0.00 176.35 175.70 1tz0 s SER 41 N -0.01 0.86 -0.34 3.68 0.01 -1.26 -5.01 113.70 111.62 1tz0 s SER 41 Ca -0.04 -0.13 -0.10 0.00 1.31 0.00 0.00 55.95 57.00 1tz0 s SER 41 Cb -0.12 -0.23 0.02 0.00 0.21 0.00 0.00 66.02 65.89 1tz0 s SER 41 CO 0.03 0.03 0.16 -0.69 0.41 0.00 0.00 173.24 173.18 1tz0 s VAL 42 N 0.26 4.43 -0.28 3.43 1.01 -1.26 -4.34 120.40 123.65 1tz0 s VAL 42 Ca -0.03 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 1tz0 s VAL 42 Cb -0.08 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1tz0 s VAL 42 CO -0.00 -0.09 0.14 -0.76 0.00 0.00 0.00 175.10 174.38 1tz0 s LEU 43 N 1.55 3.86 -0.31 3.92 1.02 0.36 -4.97 118.68 124.11 1tz0 s LEU 43 Ca 0.03 -0.27 -0.10 0.00 0.02 0.00 0.00 54.13 53.80 1tz0 s LEU 43 Cb -0.18 -2.01 -0.01 0.00 0.02 0.00 0.00 46.19 44.01 1tz0 s LEU 43 CO 0.06 -0.10 0.17 -0.69 0.02 0.00 0.00 176.35 175.80 1tz0 s VAL 44 N 1.66 4.70 0.28 -1.59 1.01 -1.26 -0.58 120.40 124.63 1tz0 s VAL 44 Ca 0.06 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 1tz0 s VAL 44 Cb -0.16 -3.40 -0.10 0.00 0.00 0.00 0.00 36.38 32.72 1tz0 s VAL 44 CO 0.07 0.06 1.36 -0.75 0.00 0.00 0.00 175.10 175.83 1tz0 s LYS 45 N 1.63 4.32 -0.41 2.72 2.20 0.22 -4.96 119.74 125.47 1tz0 s LYS 45 Ca 0.05 2.23 -0.29 0.00 -0.36 0.00 0.00 55.97 57.60 1tz0 s LYS 45 Cb -0.17 -3.10 0.02 0.00 -1.51 0.00 0.00 37.83 33.07 1tz0 s LYS 45 CO 0.07 -0.29 1.24 0.21 -0.36 0.00 0.00 175.35 176.22 1tz0 s LYS 46 N -1.05 3.75 0.00 4.03 2.20 -1.26 -4.69 119.74 122.72 1tz0 s LYS 46 Ca 0.54 0.86 0.06 0.00 -0.36 0.00 0.00 55.97 57.06 1tz0 s LYS 46 Cb -0.40 -3.92 -0.02 0.00 -1.51 0.00 0.00 37.83 31.98 1tz0 s LYS 46 CO 0.48 -1.34 -0.18 0.14 -0.36 0.00 0.00 175.35 174.09 1tz0 s VAL 47 N 4.65 1.42 0.00 4.02 -7.23 -1.26 -5.06 120.40 116.95 1tz0 s VAL 47 Ca 0.53 -0.87 -0.25 0.00 -1.81 0.00 0.00 61.98 59.59 1tz0 s VAL 47 Cb -0.11 -1.20 -0.18 0.00 0.56 0.00 0.00 36.38 35.45 1tz0 s VAL 47 CO 0.29 0.32 1.29 0.03 -0.31 0.00 0.00 175.10 176.72 1tz0 h ARG 48 N 5.46 -0.20 0.00 4.82 3.08 -1.96 -3.47 114.38 122.12 1tz0 h ARG 48 Ca -0.38 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.66 1tz0 h ARG 48 Cb 1.15 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 1tz0 h ARG 48 CO 0.47 0.15 0.05 2.89 -1.07 0.00 0.00 179.97 182.46 1tz0 n ARG 49 N -5.02 0.28 0.00 0.04 0.00 -1.26 -5.16 116.66 105.54 1tz0 n ARG 49 Ca -0.09 -0.63 0.00 0.00 -0.00 0.00 0.00 57.85 57.13 1tz0 n ARG 49 Cb 0.23 0.74 0.00 0.00 -0.00 0.00 0.00 32.46 33.43 1tz0 n ARG 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1tz0 n GLY 50 N -0.15 -1.38 3.76 2.89 0.00 -1.26 -4.93 105.19 104.12 1tz0 n GLY 50 Ca -0.02 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 1tz0 n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tz0 s ASP 51 N -4.00 5.71 0.32 1.61 1.01 -1.26 -4.12 116.67 115.93 1tz0 s ASP 51 Ca 0.00 2.66 0.07 0.00 0.71 0.00 0.00 52.55 55.99 1tz0 s ASP 51 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 1tz0 s ASP 51 CO 0.00 -1.26 0.37 -1.61 0.21 0.00 0.00 175.17 172.87 1tz0 s GLU 52 N -2.70 2.98 -0.03 8.23 2.02 -0.26 -4.92 118.70 124.02 1tz0 s GLU 52 Ca 0.66 -1.10 0.00 0.00 0.02 0.00 0.00 54.97 54.55 1tz0 s GLU 52 Cb -0.38 -2.67 0.03 0.00 0.10 0.00 0.00 34.13 31.21 1tz0 s GLU 52 CO 0.46 0.14 0.00 -2.00 0.02 0.00 0.00 175.26 173.88 1tz0 s GLU 53 N -4.06 0.32 -0.15 1.61 2.12 -1.26 -0.97 118.70 116.31 1tz0 s GLU 53 Ca 0.41 0.09 0.01 0.00 0.36 0.00 0.00 54.97 55.84 1tz0 s GLU 53 Cb -0.08 -0.53 0.02 0.00 0.26 0.00 0.00 34.13 33.80 1tz0 s GLU 53 CO 0.29 -0.15 -0.17 0.08 -0.54 0.00 0.00 175.26 174.76 1tz0 s VAL 54 N 1.14 1.74 -0.24 3.70 1.01 0.33 -0.61 120.40 127.47 1tz0 s VAL 54 Ca -0.08 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1tz0 s VAL 54 Cb -0.13 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1tz0 s VAL 54 CO -0.02 0.49 0.08 -0.69 0.00 0.00 0.00 175.10 174.96 1tz0 s VAL 55 N 1.25 4.51 0.65 2.92 1.01 0.26 -0.45 120.40 130.54 1tz0 s VAL 55 Ca 0.01 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1tz0 s VAL 55 Cb -0.14 -3.09 0.09 0.00 0.00 0.00 0.00 36.38 33.24 1tz0 s VAL 55 CO -0.08 0.36 0.90 -0.69 0.00 0.00 0.00 175.10 175.58 1tz0 s VAL 56 N 1.32 2.31 0.00 2.92 1.01 0.10 -0.49 120.40 127.57 1tz0 s VAL 56 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1tz0 s VAL 56 Cb -0.15 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1tz0 s VAL 56 CO 0.04 0.00 0.00 -0.38 0.00 0.00 0.00 175.10 174.76 1tz0 n ILE 58 N -2.59 0.00 -3.74 2.22 5.41 -0.27 -1.07 119.36 119.31 1tz0 n ILE 58 Ca 0.13 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.52 1tz0 n ILE 58 Cb 0.60 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.46 1tz0 n ILE 58 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1tz0 s ARG 59 N 0.00 4.01 0.06 0.38 0.52 0.33 -0.99 118.95 123.26 1tz0 s ARG 59 Ca 0.00 -0.15 0.07 0.00 -0.52 0.00 0.00 55.73 55.13 1tz0 s ARG 59 Cb 0.00 -3.36 -0.03 0.00 0.52 0.00 0.00 34.95 32.08 1tz0 s ARG 59 CO 0.00 0.41 -0.20 -1.58 0.02 0.00 0.00 175.30 173.95 1tz0 s TRP 60 N 0.02 1.74 0.51 -0.53 0.52 -0.14 -0.68 118.94 120.38 1tz0 s TRP 60 Ca 0.11 -0.38 0.16 0.00 0.02 0.00 0.00 56.10 56.00 1tz0 s TRP 60 Cb -0.12 -1.01 1.24 0.00 -1.15 0.00 0.00 33.47 32.43 1tz0 s TRP 60 CO 0.00 0.12 2.13 0.93 0.02 0.00 0.00 176.95 180.15 1tz0 h GLU 61 N 4.65 0.01 -2.95 4.98 5.08 -0.76 -0.64 114.58 124.95 1tz0 h GLU 61 Ca -0.43 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 57.98 1tz0 h GLU 61 Cb 1.17 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.34 1tz0 h GLU 61 CO 0.43 0.02 0.24 -1.54 -1.00 0.00 0.00 179.01 177.16 1tz0 s SER 62 N -7.06 -0.36 0.25 1.42 1.04 -1.26 -4.45 113.70 103.27 1tz0 s SER 62 Ca -0.05 -0.38 -0.06 0.00 0.48 0.00 0.00 55.95 55.94 1tz0 s SER 62 Cb 0.17 0.66 0.25 0.00 0.10 0.00 0.00 66.02 67.20 1tz0 s SER 62 CO 0.67 -1.18 1.92 -0.08 0.98 0.00 0.00 173.24 175.55 1tz0 h GLU 63 N 2.00 1.32 -0.76 4.02 4.81 -1.88 -2.45 114.58 121.63 1tz0 h GLU 63 Ca -0.24 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 58.97 1tz0 h GLU 63 Cb 1.27 -0.29 -0.06 0.00 0.63 0.00 0.00 28.75 30.30 1tz0 h GLU 63 CO 0.28 0.88 0.44 0.93 -0.73 0.00 0.00 179.01 180.82 1tz0 h GLU 64 N 1.35 0.77 -0.44 1.92 5.08 -1.96 0.13 114.58 121.43 1tz0 h GLU 64 Ca 0.36 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.63 1tz0 h GLU 64 Cb -0.13 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 28.92 1tz0 h GLU 64 CO -0.08 0.51 0.10 0.00 -1.00 0.00 0.00 179.01 178.55 1tz0 h ALA 65 N 1.39 0.58 -0.82 3.43 0.00 -1.80 0.20 119.26 122.25 1tz0 h ALA 65 Ca 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1tz0 h ALA 65 Cb 0.23 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1tz0 h ALA 65 CO -0.20 0.26 0.47 2.35 0.00 0.00 0.00 179.25 182.13 1tz0 h TRP 66 N 0.57 1.10 -0.02 0.00 7.01 -0.98 -1.39 115.95 122.25 1tz0 h TRP 66 Ca 0.14 -0.02 -0.13 0.00 2.11 0.00 0.00 58.89 60.99 1tz0 h TRP 66 Cb 0.32 -0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 1tz0 h TRP 66 CO 0.02 0.75 -0.60 -0.22 -2.79 0.00 0.00 178.44 175.60 1tz0 h LYS 67 N 1.13 0.07 -0.09 2.65 3.64 -0.30 -0.41 116.57 123.26 1tz0 h LYS 67 Ca 0.29 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1tz0 h LYS 67 Cb -0.01 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1tz0 h LYS 67 CO -0.05 0.65 0.04 -0.91 -2.27 0.00 0.00 179.45 176.91 1tz0 h ASN 68 N 0.05 0.12 -0.71 4.20 -0.26 -0.27 -2.14 115.58 116.57 1tz0 h ASN 68 Ca -0.01 -0.13 0.10 0.00 -0.56 0.00 0.00 56.30 55.71 1tz0 h ASN 68 Cb 1.08 -0.03 -0.05 0.00 -1.06 0.00 0.00 38.32 38.26 1tz0 h ASN 68 CO 0.08 0.21 0.47 -0.25 -1.06 0.00 0.00 177.43 176.88 1tz0 h TRP 69 N 0.02 0.61 0.00 1.19 2.91 -0.97 -0.50 115.95 119.21 1tz0 h TRP 69 Ca 0.03 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1tz0 h TRP 69 Cb 0.12 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 28.58 1tz0 h TRP 69 CO -0.03 0.28 0.00 0.93 -1.03 0.00 0.00 178.44 178.59 1tz0 h GLU 70 N 0.56 0.00 0.00 2.65 4.39 -0.44 -2.05 114.58 119.69 1tz0 h GLU 70 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1tz0 h GLU 70 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1tz0 h GLU 70 CO -0.11 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 177.99 1tz0 n THR 71 N -2.74 0.09 -2.58 1.13 -2.24 -0.20 -4.94 114.28 102.80 1tz0 n THR 71 Ca 0.01 0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 1tz0 n THR 71 Cb 0.26 -0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 67.90 1tz0 n THR 71 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1tz0 s SER 72 N -2.67 6.43 0.00 3.42 0.15 -0.77 -4.93 113.70 115.32 1tz0 s SER 72 Ca 0.24 1.90 0.25 0.00 0.70 0.00 0.00 55.95 59.03 1tz0 s SER 72 Cb 0.19 -2.56 0.88 0.00 -1.71 0.00 0.00 66.02 62.82 1tz0 s SER 72 CO 0.44 -0.72 1.64 -0.62 1.20 0.00 0.00 173.24 175.18 1tz0 n GLU 73 N -0.90 1.73 -0.57 5.44 -0.58 -1.26 -4.53 120.64 119.96 1tz0 n GLU 73 Ca 0.09 -1.08 0.08 0.00 -0.42 0.00 0.00 57.16 55.83 1tz0 n GLU 73 Cb 0.53 -1.44 0.32 0.00 -0.57 0.00 0.00 31.44 30.28 1tz0 n GLU 73 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1tz0 n GLU 74 N 0.31 3.65 -2.36 3.49 -0.58 -1.26 -4.99 120.64 118.90 1tz0 n GLU 74 Ca 0.18 -2.82 -0.40 0.00 -0.42 0.00 0.00 57.16 53.70 1tz0 n GLU 74 Cb 0.36 -1.86 -0.03 0.00 -0.57 0.00 0.00 31.44 29.33 1tz0 n GLU 74 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1tz0 s HIS 75 N -2.06 3.35 0.06 -0.32 3.76 -1.26 -4.77 115.29 114.05 1tz0 s HIS 75 Ca 0.47 1.61 0.06 0.00 -0.15 0.00 0.00 55.06 57.04 1tz0 s HIS 75 Cb 0.32 -3.39 -0.03 0.00 1.11 0.00 0.00 32.58 30.60 1tz0 s HIS 75 CO 0.19 -0.99 -0.17 -0.51 -0.85 0.00 0.00 174.74 172.42 1tz0 s LEU 76 N -1.78 2.22 0.20 0.89 1.43 -1.26 -5.07 118.68 115.31 1tz0 s LEU 76 Ca 0.48 -0.55 -0.31 0.00 -1.03 0.00 0.00 54.13 52.73 1tz0 s LEU 76 Cb -0.33 -0.70 -0.10 0.00 0.03 0.00 0.00 46.19 45.10 1tz0 s LEU 76 CO 0.43 0.03 1.44 0.00 0.23 0.00 0.00 176.35 178.48 1tz0 s ALA 77 N -1.00 3.64 0.00 4.21 0.00 -1.26 -1.08 121.76 126.27 1tz0 s ALA 77 Ca 0.03 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1tz0 s ALA 77 Cb -0.09 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1tz0 s ALA 77 CO 0.02 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.49 1tz0 n GLY 78 N 2.82 0.27 3.80 0.00 0.00 -1.26 -3.28 105.19 107.54 1tz0 n GLY 78 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1tz0 n GLY 78 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1tz0 n HIS 79 N -2.21 -2.05 -3.98 1.61 -0.00 -0.24 -4.29 115.22 104.06 1tz0 n HIS 79 Ca 0.00 0.76 -0.10 0.00 -0.00 0.00 0.00 57.72 58.38 1tz0 n HIS 79 Cb 0.17 -3.54 -0.03 0.00 -0.00 0.00 0.00 29.99 26.58 1tz0 n HIS 79 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1tz0 s ARG 80 N -6.50 1.77 0.12 -0.41 1.70 -1.21 -3.16 118.95 111.27 1tz0 s ARG 80 Ca 0.61 -1.38 0.02 0.00 -0.47 0.00 0.00 55.73 54.51 1tz0 s ARG 80 Cb -0.31 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 1tz0 s ARG 80 CO 0.75 -0.76 0.22 0.00 -1.08 0.00 0.00 175.30 174.43 1tz0 s ALA 81 N -3.50 3.87 0.00 7.88 0.00 -1.02 -4.47 121.76 124.52 1tz0 s ALA 81 Ca 0.22 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1tz0 s ALA 81 Cb -0.02 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1tz0 s ALA 81 CO 0.12 0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.91 1tz0 n GLY 82 N -0.21 -2.87 0.46 0.00 0.00 -1.26 -4.87 105.19 96.44 1tz0 n GLY 82 Ca -0.07 -2.04 -0.04 0.00 0.00 0.00 0.00 46.02 43.87 1tz0 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tz0 n ARG 83 N -0.04 -1.18 -2.99 1.61 1.74 -1.26 -5.00 116.66 109.54 1tz0 n ARG 83 Ca 0.00 -0.23 0.02 0.00 -0.77 0.00 0.00 57.85 56.87 1tz0 n ARG 83 Cb 0.00 -0.21 -0.00 0.00 -1.02 0.00 0.00 32.46 31.23 1tz0 n ARG 83 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1tz0 s GLY 84 N -2.81 -1.38 0.00 -0.13 0.00 -1.26 -4.79 107.32 96.95 1tz0 s GLY 84 Ca 0.09 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.69 1tz0 s GLY 84 CO 0.07 4.00 0.00 1.17 0.00 0.00 0.00 173.10 178.34 1tz0 n LYS 85 N 4.16 0.00 -3.15 2.90 4.81 -1.26 -5.07 118.16 120.55 1tz0 n LYS 85 Ca 0.08 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 57.07 1tz0 n LYS 85 Cb 0.60 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.62 1tz0 n LYS 85 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1tz0 s PRO 86 N 3.75 3.41 -0.33 1.64 0.05 -1.26 -4.95 135.00 137.31 1tz0 s PRO 86 Ca 0.00 -1.90 0.01 0.00 0.05 0.00 0.00 61.00 59.16 1tz0 s PRO 86 Cb 0.00 -4.52 0.10 0.00 0.05 0.00 0.00 34.50 30.13 1tz0 s PRO 86 CO 0.00 -1.50 0.09 0.15 0.05 0.00 0.00 177.00 175.78 1tz0 s LYS 87 N 1.68 1.02 0.00 4.56 3.01 -1.26 -4.98 119.74 123.77 1tz0 s LYS 87 Ca 0.20 -1.40 0.23 0.00 -1.01 0.00 0.00 55.97 53.98 1tz0 s LYS 87 Cb -0.14 -2.45 1.16 0.00 -1.01 0.00 0.00 37.83 35.40 1tz0 s LYS 87 CO -0.04 -0.98 1.75 -0.35 0.51 0.00 0.00 175.35 176.24 1tz0 n PRO 88 N 4.58 0.35 -0.32 -1.68 -0.04 -1.26 -3.92 135.00 132.71 1tz0 n PRO 88 Ca 0.01 0.07 -0.03 0.00 -0.04 0.00 0.00 63.50 63.50 1tz0 n PRO 88 Cb 0.42 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.46 1tz0 n PRO 88 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1tz0 h ASP 89 N 0.00 1.00 0.89 3.54 5.19 -2.02 -2.12 116.42 122.90 1tz0 h ASP 89 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1tz0 h ASP 89 Cb 0.20 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.46 1tz0 h ASP 89 CO 0.00 0.72 -0.09 0.00 -3.12 0.00 0.00 179.24 176.76 1tz0 n HIS 90 N -4.48 0.00 -3.05 4.55 1.44 -1.25 -4.81 115.22 107.62 1tz0 n HIS 90 Ca 0.09 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.41 1tz0 n HIS 90 Cb 0.02 -0.45 -0.05 0.00 0.12 0.00 0.00 29.99 29.63 1tz0 n HIS 90 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1tz0 s ILE 91 N -2.98 4.81 -0.25 0.61 1.01 -0.80 -0.95 121.20 122.66 1tz0 s ILE 91 Ca 0.14 1.51 -0.09 0.00 0.00 0.00 0.00 60.65 62.21 1tz0 s ILE 91 Cb 0.19 -4.06 -0.12 0.00 0.01 0.00 0.00 42.46 38.47 1tz0 s ILE 91 CO 0.56 0.36 -0.30 -0.38 0.00 0.00 0.00 174.94 175.18 1tz0 n ILE 92 N 2.90 1.41 -3.75 2.92 5.41 0.54 -4.93 119.36 123.87 1tz0 n ILE 92 Ca -0.03 -0.41 -0.13 0.00 1.00 0.00 0.00 62.75 63.17 1tz0 n ILE 92 Cb 0.51 -1.71 -0.09 0.00 -0.71 0.00 0.00 39.64 37.63 1tz0 n ILE 92 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1tz0 s ASN 93 N -7.05 -0.29 -0.14 4.38 3.84 -1.00 -4.99 114.94 109.70 1tz0 s ASN 93 Ca -0.35 0.37 -0.01 0.00 0.21 0.00 0.00 52.86 53.09 1tz0 s ASN 93 Cb 0.12 0.50 0.03 0.00 -0.55 0.00 0.00 41.25 41.35 1tz0 s ASN 93 CO 0.48 -0.33 -0.06 -0.69 -2.79 0.00 0.00 177.10 173.72 1tz0 s VAL 94 N -0.71 1.03 0.33 -5.21 1.01 -1.26 -0.90 120.40 114.69 1tz0 s VAL 94 Ca -0.08 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.56 1tz0 s VAL 94 Cb -0.04 -1.14 -0.06 0.00 0.00 0.00 0.00 36.38 35.14 1tz0 s VAL 94 CO 0.03 0.24 -0.10 -0.62 0.00 0.00 0.00 175.10 174.65 1tz0 s ASP 95 N 1.69 3.59 0.01 3.32 -1.08 -0.43 -4.98 116.67 118.80 1tz0 s ASP 95 Ca 0.03 -1.19 0.01 0.00 -0.52 0.00 0.00 52.55 50.88 1tz0 s ASP 95 Cb -0.14 -0.32 -0.01 0.00 -1.46 0.00 0.00 42.92 40.99 1tz0 s ASP 95 CO -0.08 -0.20 -0.03 -2.28 0.52 0.00 0.00 175.17 173.10 1tz0 s HIS 96 N -2.66 0.23 0.05 -5.34 5.65 -1.26 -1.03 115.29 110.93 1tz0 s HIS 96 Ca 0.32 -0.23 -0.10 0.00 0.25 0.00 0.00 55.06 55.30 1tz0 s HIS 96 Cb 0.02 -0.15 0.00 0.00 -1.18 0.00 0.00 32.58 31.27 1tz0 s HIS 96 CO 0.16 -0.07 0.20 0.00 -0.65 0.00 0.00 174.74 174.38 1tz0 s ALA 97 N -0.62 -0.36 0.13 1.58 0.00 -0.60 -5.01 121.76 116.89 1tz0 s ALA 97 Ca -0.06 -0.35 0.07 0.00 0.00 0.00 0.00 51.96 51.62 1tz0 s ALA 97 Cb -0.04 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 1tz0 s ALA 97 CO -0.00 -0.41 -0.16 0.14 0.00 0.00 0.00 175.76 175.33 1tz0 s VAL 98 N -2.92 1.48 -0.01 0.00 -7.23 -1.26 -0.77 120.40 109.68 1tz0 s VAL 98 Ca -0.02 -1.73 -0.02 0.00 -1.81 0.00 0.00 61.98 58.39 1tz0 s VAL 98 Cb 0.01 -1.59 0.00 0.00 0.56 0.00 0.00 36.38 35.36 1tz0 s VAL 98 CO -0.06 -0.35 0.05 -0.31 -0.31 0.00 0.00 175.10 174.13 1tz0 s TYR 99 N -1.99 -0.01 -0.13 2.82 2.02 0.11 -5.00 117.35 115.17 1tz0 s TYR 99 Ca 0.10 0.04 -0.15 0.00 -0.37 0.00 0.00 57.07 56.69 1tz0 s TYR 99 Cb -0.06 -0.01 -0.05 0.00 -0.40 0.00 0.00 41.96 41.44 1tz0 s TYR 99 CO 0.04 -0.08 0.35 0.71 -1.57 0.00 0.00 175.55 175.01 1tz0 s TYR 100 N -0.31 3.51 -0.77 2.71 2.02 -1.26 -0.82 117.35 122.43 1tz0 s TYR 100 Ca -0.04 0.72 -0.24 0.00 -0.37 0.00 0.00 57.07 57.14 1tz0 s TYR 100 Cb -0.02 -2.39 0.05 0.00 -0.40 0.00 0.00 41.96 39.20 1tz0 s TYR 100 CO 0.00 0.27 1.20 0.08 -1.57 0.00 0.00 175.55 175.53 1tz0 s VAL 101 N 0.31 4.00 -1.06 0.71 1.01 -1.26 -4.85 120.40 119.26 1tz0 s VAL 101 Ca 0.20 -0.14 0.24 0.00 0.00 0.00 0.00 61.98 62.28 1tz0 s VAL 101 Cb -0.14 -4.86 -0.02 0.00 0.00 0.00 0.00 36.38 31.36 1tz0 s VAL 101 CO 0.07 -1.73 1.33 0.29 0.00 0.00 0.00 175.10 175.06 1tz0 n LYS 102 N 8.60 0.07 -3.62 2.72 5.02 -1.26 -4.77 118.16 124.92 1tz0 n LYS 102 Ca 0.07 -0.04 -0.16 0.00 -2.02 0.00 0.00 58.31 56.16 1tz0 n LYS 102 Cb 0.48 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.92 1tz0 n LYS 102 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1tz0 s SER 103 N -2.96 -0.49 0.17 4.39 0.15 -1.26 -5.15 113.70 108.54 1tz0 s SER 103 Ca 0.11 0.53 -0.24 0.00 0.70 0.00 0.00 55.95 57.06 1tz0 s SER 103 Cb 0.17 0.51 0.06 0.00 -1.71 0.00 0.00 66.02 65.05 1tz0 s SER 103 CO 0.72 -0.52 0.74 -0.94 1.20 0.00 0.00 173.24 174.44 1tz0 s SER 104 N -1.13 -0.37 -0.12 5.45 1.04 -1.26 -5.18 113.70 112.13 1tz0 s SER 104 Ca -0.11 -0.26 -0.16 0.00 0.48 0.00 0.00 55.95 55.90 1tz0 s SER 104 Cb -0.02 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.73 1tz0 s SER 104 CO 0.07 -1.02 0.43 -1.59 0.98 0.00 0.00 173.24 172.11 1tz0 s LYS 105 N -3.63 0.59 0.42 4.02 -2.85 -1.26 -5.18 119.74 111.85 1tz0 s LYS 105 Ca 0.07 0.40 0.08 0.00 -1.00 0.00 0.00 55.97 55.52 1tz0 s LYS 105 Cb -0.03 0.28 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 1tz0 s LYS 105 CO -0.04 -0.11 0.52 0.00 0.10 0.00 0.00 175.35 175.82 1tz0 s ALA 106 N -0.23 4.40 0.26 0.59 0.00 -1.26 -5.05 121.76 120.47 1tz0 s ALA 106 Ca -0.04 -1.73 -0.29 0.00 0.00 0.00 0.00 51.96 49.89 1tz0 s ALA 106 Cb -0.03 -1.46 -0.14 0.00 0.00 0.00 0.00 23.12 21.48 1tz0 s ALA 106 CO 0.02 -0.27 1.07 0.00 0.00 0.00 0.00 175.76 176.58 1tz0 n ALA 107 N -1.77 -0.29 -1.74 0.00 0.00 -1.26 -4.82 120.51 110.63 1tz0 n ALA 107 Ca 0.07 0.41 -0.38 0.00 0.00 0.00 0.00 53.44 53.54 1tz0 n ALA 107 Cb 0.60 -2.03 0.05 0.00 0.00 0.00 0.00 19.45 18.06 1tz0 n ALA 107 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1tz0 s TYR 108 N -0.79 2.22 0.00 0.00 5.04 -1.26 -5.35 117.35 117.22 1tz0 s TYR 108 Ca 0.63 1.42 0.00 0.00 -2.44 0.00 0.00 57.07 56.68 1tz0 s TYR 108 Cb -0.73 -3.74 0.00 0.00 0.35 0.00 0.00 41.96 37.84 1tz0 s TYR 108 CO 0.57 -2.85 0.00 0.94 -1.34 0.00 0.00 175.55 172.87