#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t17 n HIS 2 N 0.00 1.76 -4.46 2.03 -0.00 -1.01 -4.69 115.22 108.85 1t17 n HIS 2 Ca 0.00 0.97 -0.21 0.00 -0.00 0.00 0.00 57.72 58.48 1t17 n HIS 2 Cb 0.00 -2.29 -0.14 0.00 -0.00 0.00 0.00 29.99 27.56 1t17 n HIS 2 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1t17 s ARG 3 N 3.49 1.03 -0.06 -0.41 3.00 -1.26 -1.45 118.95 123.29 1t17 s ARG 3 Ca 1.05 -0.70 0.01 0.00 -1.00 0.00 0.00 55.73 55.09 1t17 s ARG 3 Cb -1.40 -1.03 0.02 0.00 0.00 0.00 0.00 34.95 32.54 1t17 s ARG 3 CO 0.76 0.26 -0.07 -1.01 0.00 0.00 0.00 175.30 175.25 1t17 s HIS 4 N -0.70 1.04 0.06 5.12 3.76 0.91 -4.99 115.29 120.49 1t17 s HIS 4 Ca 0.03 -0.36 -0.03 0.00 -0.15 0.00 0.00 55.06 54.55 1t17 s HIS 4 Cb -0.07 -0.86 -0.05 0.00 1.11 0.00 0.00 32.58 32.71 1t17 s HIS 4 CO 0.01 -0.26 0.27 0.54 -0.85 0.00 0.00 174.74 174.45 1t17 s VAL 5 N 0.97 5.30 -0.26 -0.90 0.11 -1.26 -0.95 120.40 123.42 1t17 s VAL 5 Ca -0.10 -0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 58.84 1t17 s VAL 5 Cb -0.15 -3.60 0.11 0.00 -1.53 0.00 0.00 36.38 31.22 1t17 s VAL 5 CO 0.00 0.19 0.24 -0.69 -3.33 0.00 0.00 175.10 171.51 1t17 s VAL 6 N -1.48 -0.31 -0.13 2.04 1.01 -0.65 -5.01 120.40 115.88 1t17 s VAL 6 Ca 0.34 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 1t17 s VAL 6 Cb -0.13 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1t17 s VAL 6 CO 0.23 -0.44 -0.03 -0.89 0.00 0.00 0.00 175.10 173.97 1t17 s THR 7 N 2.29 3.98 0.09 3.92 2.01 -1.26 -1.30 115.64 125.37 1t17 s THR 7 Ca 0.08 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.73 1t17 s THR 7 Cb -0.15 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1t17 s THR 7 CO -0.27 0.53 0.00 -1.59 -0.69 0.00 0.00 174.62 172.60 1t17 s LYS 8 N -0.07 0.76 -0.13 4.92 0.00 -0.69 -5.01 119.74 119.52 1t17 s LYS 8 Ca 0.02 -1.32 -0.03 0.00 0.00 0.00 0.00 55.97 54.64 1t17 s LYS 8 Cb -0.13 0.18 0.05 0.00 0.00 0.00 0.00 37.83 37.93 1t17 s LYS 8 CO 0.02 -0.16 0.04 0.08 0.00 0.00 0.00 175.35 175.34 1t17 s VAL 9 N -3.94 0.22 -0.20 1.79 1.01 -1.26 -0.71 120.40 117.32 1t17 s VAL 9 Ca 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 1t17 s VAL 9 Cb 0.08 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.83 1t17 s VAL 9 CO -0.05 -0.03 -0.12 -0.76 0.00 0.00 0.00 175.10 174.14 1t17 s LEU 10 N 2.01 2.52 -1.00 3.92 1.43 0.88 -4.93 118.68 123.51 1t17 s LEU 10 Ca 0.02 -0.55 -0.07 0.00 -1.03 0.00 0.00 54.13 52.51 1t17 s LEU 10 Cb -0.15 -1.60 -0.09 0.00 0.03 0.00 0.00 46.19 44.38 1t17 s LEU 10 CO -0.07 -0.02 2.54 -0.81 0.23 0.00 0.00 176.35 178.23 1t17 n PRO 11 N 4.70 2.55 -2.93 1.29 -0.04 -1.26 -1.54 135.00 137.78 1t17 n PRO 11 Ca -0.20 -1.59 -0.08 0.00 -0.04 0.00 0.00 63.50 61.59 1t17 n PRO 11 Cb 0.50 -2.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.46 1t17 n PRO 11 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1t17 n TYR 12 N 3.70 -0.29 -2.39 0.54 4.01 -1.26 -4.89 117.16 116.57 1t17 n TYR 12 Ca 0.54 -1.15 -0.28 0.00 -0.16 0.00 0.00 57.90 56.85 1t17 n TYR 12 Cb 0.26 0.11 0.01 0.00 -0.31 0.00 0.00 39.34 39.41 1t17 n TYR 12 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1t17 s THR 13 N -2.52 4.54 -2.00 -0.72 -4.23 -1.26 -4.38 115.64 105.07 1t17 s THR 13 Ca 0.16 0.31 0.17 0.00 -1.18 0.00 0.00 61.69 61.14 1t17 s THR 13 Cb 0.01 -3.76 0.47 0.00 1.34 0.00 0.00 72.50 70.56 1t17 s THR 13 CO 0.11 -0.82 1.47 -0.81 -0.54 0.00 0.00 174.62 174.03 1t17 n PRO 14 N -2.46 0.75 -0.05 3.99 -0.04 -1.26 -3.30 135.00 132.63 1t17 n PRO 14 Ca 0.03 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.37 1t17 n PRO 14 Cb 0.55 -1.34 -0.06 0.00 -0.04 0.00 0.00 33.50 32.61 1t17 n PRO 14 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1t17 h ASP 15 N 0.00 0.24 -0.39 3.54 1.82 -2.01 -2.15 116.42 117.47 1t17 h ASP 15 Ca 0.00 -0.25 0.11 0.00 -0.39 0.00 0.00 57.03 56.50 1t17 h ASP 15 Cb 0.00 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 39.93 1t17 h ASP 15 CO 0.00 0.43 0.37 1.56 -1.61 0.00 0.00 179.24 179.98 1t17 h GLN 16 N 0.05 0.00 -0.48 0.28 1.08 -1.97 0.32 115.11 114.39 1t17 h GLN 16 Ca 0.05 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.11 1t17 h GLN 16 Cb 0.28 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1t17 h GLN 16 CO 0.00 0.00 -0.22 -0.07 -0.95 0.00 0.00 178.83 177.59 1t17 h LEU 17 N 0.00 1.03 -1.30 1.46 3.38 -1.61 -2.83 115.31 115.44 1t17 h LEU 17 Ca 0.18 -0.40 0.34 0.00 0.09 0.00 0.00 57.88 58.09 1t17 h LEU 17 Cb 0.92 -0.29 -0.12 0.00 0.09 0.00 0.00 40.66 41.26 1t17 h LEU 17 CO -0.00 1.20 0.71 0.15 0.09 0.00 0.00 178.44 180.59 1t17 h PHE 18 N 0.86 0.67 0.00 1.13 3.04 -0.20 1.74 116.94 124.18 1t17 h PHE 18 Ca 0.11 0.03 -0.16 0.00 3.98 0.00 0.00 57.97 61.92 1t17 h PHE 18 Cb 0.81 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 39.11 1t17 h PHE 18 CO 0.05 -0.08 -0.78 0.93 -2.02 0.00 0.00 178.31 176.41 1t17 h GLU 19 N 0.27 0.00 0.01 1.11 5.08 -1.55 -3.17 114.58 116.33 1t17 h GLU 19 Ca 0.70 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.85 1t17 h GLU 19 Cb 1.91 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.16 1t17 h GLU 19 CO -0.40 0.78 -0.92 -0.07 -1.00 0.00 0.00 179.01 177.40 1t17 h LEU 20 N 0.00 0.38 -1.17 1.33 3.38 0.23 -2.14 115.31 117.32 1t17 h LEU 20 Ca -0.01 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1t17 h LEU 20 Cb 1.56 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.16 1t17 h LEU 20 CO 0.10 1.12 0.51 0.58 0.09 0.00 0.00 178.44 180.84 1t17 h VAL 21 N 0.16 1.21 -0.62 1.22 2.07 0.74 -1.04 116.25 120.00 1t17 h VAL 21 Ca -0.06 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 66.91 1t17 h VAL 21 Cb 1.56 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 1t17 h VAL 21 CO 0.15 0.21 0.14 0.61 0.02 0.00 0.00 177.57 178.71 1t17 n GLY 22 N -1.36 3.56 0.00 2.17 0.00 -1.18 -4.42 105.19 103.96 1t17 n GLY 22 Ca 0.09 -0.99 0.04 0.00 0.00 0.00 0.00 46.02 45.15 1t17 n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t17 n ASP 23 N 0.00 0.00 0.18 1.61 2.03 -0.39 0.24 116.55 120.21 1t17 n ASP 23 Ca 0.34 0.50 0.13 0.00 0.52 0.00 0.00 54.79 56.28 1t17 n ASP 23 Cb 1.26 -0.50 0.31 0.00 -0.72 0.00 0.00 41.12 41.48 1t17 n ASP 23 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1t17 h VAL 24 N 0.00 0.00 0.00 5.18 -1.51 -1.79 -3.32 116.25 114.81 1t17 h VAL 24 Ca 0.00 -0.73 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1t17 h VAL 24 Cb 0.13 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 1t17 h VAL 24 CO 0.00 0.00 -0.28 -0.67 -1.23 0.00 0.00 177.57 175.39 1t17 n ASP 25 N -2.75 0.00 0.00 4.19 2.03 0.35 -3.95 116.55 116.42 1t17 n ASP 25 Ca 0.04 -1.56 0.00 0.00 0.52 0.00 0.00 54.79 53.80 1t17 n ASP 25 Cb 0.46 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 1t17 n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t17 n ALA 26 N 0.00 0.00 -2.62 -1.67 0.00 0.65 -5.04 120.51 111.82 1t17 n ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1t17 n ALA 26 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1t17 n ALA 26 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1t17 n TYR 27 N 0.00 0.00 0.63 0.00 4.11 -1.26 -4.79 117.16 115.85 1t17 n TYR 27 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.02 1t17 n TYR 27 Cb 0.00 -0.83 0.46 0.00 -0.00 0.00 0.00 39.34 38.97 1t17 n TYR 27 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1t17 n PRO 28 N 1.82 0.12 0.00 -3.48 -0.04 -1.26 -4.62 135.00 127.54 1t17 n PRO 28 Ca 0.00 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1t17 n PRO 28 Cb 0.17 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 1t17 n PRO 28 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1t17 n LYS 29 N -1.89 0.00 0.00 0.54 4.81 -1.26 -5.13 118.16 115.23 1t17 n LYS 29 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1t17 n LYS 29 Cb 0.29 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.34 1t17 n LYS 29 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1t17 n PHE 30 N 0.00 0.00 0.00 5.64 7.35 -1.26 -5.10 117.46 124.08 1t17 n PHE 30 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1t17 n PHE 30 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1t17 n PHE 30 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 1t17 n VAL 31 N 0.00 0.00 0.02 -2.13 0.24 -1.26 -4.92 118.33 110.28 1t17 n VAL 31 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.11 1t17 n VAL 31 Cb 0.00 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 1t17 n VAL 31 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1t17 h PRO 32 N 0.00 0.74 -0.27 7.34 0.13 -1.98 -2.97 132.00 134.99 1t17 h PRO 32 Ca 0.00 -0.72 0.08 0.00 -0.87 0.00 0.00 66.00 64.49 1t17 h PRO 32 Cb 0.00 0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 1t17 h PRO 32 CO 0.00 1.30 0.50 0.11 -0.23 0.00 0.00 178.00 179.68 1t17 h TRP 33 N 0.45 0.00 -1.40 1.56 0.09 -1.96 -3.40 115.95 111.28 1t17 h TRP 33 Ca -0.10 0.00 -0.64 0.00 0.09 0.00 0.00 58.89 58.24 1t17 h TRP 33 Cb 1.60 0.00 -0.13 0.00 0.08 0.00 0.00 29.16 30.71 1t17 h TRP 33 CO 0.10 0.00 -0.58 -1.50 0.09 0.00 0.00 178.44 176.55 1t17 s ILE 34 N -4.36 1.85 0.00 0.12 2.07 -1.12 -4.64 121.20 115.13 1t17 s ILE 34 Ca -0.03 -1.98 0.00 0.00 -1.41 0.00 0.00 60.65 57.22 1t17 s ILE 34 Cb 0.12 -2.83 0.00 0.00 0.13 0.00 0.00 42.46 39.87 1t17 s ILE 34 CO 0.40 0.00 0.00 1.07 -1.91 0.00 0.00 174.94 174.50 1t17 n THR 35 N -1.05 0.00 -3.24 4.00 5.66 -1.22 -4.73 114.28 113.70 1t17 n THR 35 Ca -0.07 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.60 1t17 n THR 35 Cb 0.67 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.39 1t17 n THR 35 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1t17 s GLY 36 N -0.60 2.28 -0.07 1.09 0.00 -1.26 -4.92 107.32 103.85 1t17 s GLY 36 Ca 0.00 -0.11 -0.29 0.00 0.00 0.00 0.00 44.72 44.32 1t17 s GLY 36 CO 0.00 0.07 0.66 -0.29 0.00 0.00 0.00 173.10 173.53 1t17 s MET 37 N -2.97 1.01 -0.28 2.90 0.00 -1.25 -0.72 119.30 117.98 1t17 s MET 37 Ca 0.51 0.29 -0.21 0.00 0.00 0.00 0.00 55.69 56.28 1t17 s MET 37 Cb -0.11 0.48 0.13 0.00 0.00 0.00 0.00 34.83 35.33 1t17 s MET 37 CO 0.20 -0.30 0.99 0.50 0.00 0.00 0.00 175.02 176.41 1t17 s ARG 38 N -1.05 0.47 -0.06 4.11 6.06 -0.86 -4.98 118.95 122.63 1t17 s ARG 38 Ca -0.10 0.66 -0.01 0.00 -2.50 0.00 0.00 55.73 53.78 1t17 s ARG 38 Cb -0.01 0.18 0.03 0.00 0.06 0.00 0.00 34.95 35.21 1t17 s ARG 38 CO 0.09 -0.07 -0.00 0.95 -2.50 0.00 0.00 175.30 173.76 1t17 s THR 39 N 0.72 0.38 -0.09 4.11 -4.23 -1.26 -1.01 115.64 114.27 1t17 s THR 39 Ca -0.02 0.09 -0.31 0.00 -1.18 0.00 0.00 61.69 60.26 1t17 s THR 39 Cb -0.04 -0.51 0.11 0.00 1.34 0.00 0.00 72.50 73.40 1t17 s THR 39 CO -0.10 0.24 1.39 -1.66 -0.54 0.00 0.00 174.62 173.95 1t17 s TRP 40 N 1.74 0.00 -0.19 3.99 -2.14 -1.01 -4.96 118.94 116.38 1t17 s TRP 40 Ca 0.01 -0.01 -0.02 0.00 2.66 0.00 0.00 56.10 58.74 1t17 s TRP 40 Cb -0.13 0.51 0.01 0.00 -3.10 0.00 0.00 33.47 30.76 1t17 s TRP 40 CO -0.04 -0.03 0.05 0.09 -2.66 0.00 0.00 176.95 174.36 1t17 n ASN 41 N -0.87 -4.63 0.00 -2.66 3.02 -1.26 -2.10 115.26 106.76 1t17 n ASN 41 Ca 0.02 0.95 0.00 0.00 -0.03 0.00 0.00 54.58 55.53 1t17 n ASN 41 Cb 0.60 -3.92 0.00 0.00 -0.61 0.00 0.00 39.78 35.85 1t17 n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t17 n GLY 42 N 0.66 1.45 3.11 7.41 0.00 -1.26 -2.25 105.19 114.30 1t17 n GLY 42 Ca -0.08 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1t17 n GLY 42 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t17 s ARG 43 N 4.94 0.65 -0.09 1.61 1.70 0.13 -4.98 118.95 122.92 1t17 s ARG 43 Ca 0.00 -1.16 0.01 0.00 -0.47 0.00 0.00 55.73 54.11 1t17 s ARG 43 Cb 0.00 0.01 0.02 0.00 -0.57 0.00 0.00 34.95 34.41 1t17 s ARG 43 CO 0.00 -0.06 -0.09 0.54 -1.08 0.00 0.00 175.30 174.62 1t17 s VAL 44 N -3.35 1.00 -0.03 4.99 0.11 -1.26 -1.18 120.40 120.68 1t17 s VAL 44 Ca 0.05 -0.33 0.01 0.00 -2.93 0.00 0.00 61.98 58.79 1t17 s VAL 44 Cb 0.04 -0.98 0.01 0.00 -1.53 0.00 0.00 36.38 33.92 1t17 s VAL 44 CO -0.06 0.35 -0.04 -0.62 -3.33 0.00 0.00 175.10 171.40 1t17 s ASP 45 N 1.29 0.72 0.31 3.54 -1.08 -0.37 -5.03 116.67 116.05 1t17 s ASP 45 Ca -0.03 -0.10 0.00 0.00 -0.52 0.00 0.00 52.55 51.90 1t17 s ASP 45 Cb -0.14 -0.28 0.00 0.00 -1.46 0.00 0.00 42.92 41.04 1t17 s ASP 45 CO -0.03 -0.02 0.00 0.61 0.52 0.00 0.00 175.17 176.24 1t17 n GLY 46 N 3.71 2.48 2.06 2.66 0.00 -1.26 0.43 105.19 115.27 1t17 n GLY 46 Ca -0.22 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 1t17 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t17 n ALA 47 N 7.40 5.43 -2.81 4.61 0.00 -1.26 -4.87 120.51 129.00 1t17 n ALA 47 Ca 0.00 -2.51 -0.14 0.00 0.00 0.00 0.00 53.44 50.79 1t17 n ALA 47 Cb 0.00 -1.50 -0.12 0.00 0.00 0.00 0.00 19.45 17.83 1t17 n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1t17 s VAL 48 N -3.24 0.63 -0.02 0.00 1.01 0.17 -0.32 120.40 118.63 1t17 s VAL 48 Ca 0.48 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1t17 s VAL 48 Cb 0.39 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 36.13 1t17 s VAL 48 CO 0.03 -0.27 0.03 -0.55 0.00 0.00 0.00 175.10 174.34 1t17 s SER 49 N -1.37 0.01 -0.07 3.32 0.15 0.10 -1.23 113.70 114.62 1t17 s SER 49 Ca -0.07 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1t17 s SER 49 Cb -0.09 0.00 0.02 0.00 -1.71 0.00 0.00 66.02 64.25 1t17 s SER 49 CO 0.01 -0.07 -0.06 -0.89 1.20 0.00 0.00 173.24 173.43 1t17 s THR 50 N 0.52 0.74 0.28 6.45 2.01 -0.32 -0.06 115.64 125.25 1t17 s THR 50 Ca -0.04 -0.17 -0.11 0.00 0.31 0.00 0.00 61.69 61.68 1t17 s THR 50 Cb -0.06 -0.77 0.00 0.00 0.01 0.00 0.00 72.50 71.68 1t17 s THR 50 CO -0.02 0.30 0.50 0.68 -0.69 0.00 0.00 174.62 175.39 1t17 s VAL 51 N 1.34 0.00 0.43 3.82 -7.23 -0.46 0.21 120.40 118.51 1t17 s VAL 51 Ca -0.04 -1.41 -0.24 0.00 -1.81 0.00 0.00 61.98 58.49 1t17 s VAL 51 Cb -0.14 -2.34 -0.08 0.00 0.56 0.00 0.00 36.38 34.38 1t17 s VAL 51 CO -0.03 0.00 1.12 -1.81 -0.31 0.00 0.00 175.10 174.07 1t17 s ASP 52 N -3.06 6.43 -0.24 4.85 -0.00 -0.89 0.59 116.67 124.35 1t17 s ASP 52 Ca 0.23 2.21 -0.00 0.00 -0.00 0.00 0.00 52.55 54.99 1t17 s ASP 52 Cb -0.01 -2.60 0.07 0.00 -0.00 0.00 0.00 42.92 40.38 1t17 s ASP 52 CO 0.11 -0.73 -0.01 0.00 -0.00 0.00 0.00 175.17 174.54 1t17 s ALA 53 N -1.58 1.70 -0.48 5.23 0.00 0.52 -2.39 121.76 124.76 1t17 s ALA 53 Ca 0.61 -1.26 -0.10 0.00 0.00 0.00 0.00 51.96 51.21 1t17 s ALA 53 Cb -0.26 -1.41 0.12 0.00 0.00 0.00 0.00 23.12 21.57 1t17 s ALA 53 CO 0.32 -1.25 0.36 -2.00 0.00 0.00 0.00 175.76 173.19 1t17 s GLU 54 N 1.52 2.57 0.18 0.00 -6.30 -0.18 0.37 118.70 116.86 1t17 s GLU 54 Ca -0.02 -1.73 0.06 0.00 -2.50 0.00 0.00 54.97 50.78 1t17 s GLU 54 Cb -0.18 -3.98 -0.04 0.00 0.00 0.00 0.00 34.13 29.93 1t17 s GLU 54 CO -0.09 -1.20 0.07 0.00 0.02 0.00 0.00 175.26 174.07 1t17 s ALA 55 N 1.41 3.38 0.39 6.30 0.00 -0.32 -2.03 121.76 130.90 1t17 s ALA 55 Ca 0.05 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.73 1t17 s ALA 55 Cb -0.27 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 1t17 s ALA 55 CO 0.00 0.47 0.09 -0.65 0.00 0.00 0.00 175.76 175.67 1t17 s GLN 56 N -3.10 1.87 -0.05 0.00 -0.21 0.10 -1.59 119.66 116.68 1t17 s GLN 56 Ca 0.29 -2.12 -0.00 0.00 0.02 0.00 0.00 55.36 53.55 1t17 s GLN 56 Cb -0.09 -0.80 0.03 0.00 1.00 0.00 0.00 33.01 33.15 1t17 s GLN 56 CO 0.21 -0.37 -0.01 0.14 -2.12 0.00 0.00 175.29 173.14 1t17 s VAL 57 N -3.20 0.33 0.00 1.09 -7.23 -1.22 -3.41 120.40 106.76 1t17 s VAL 57 Ca 0.26 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 1t17 s VAL 57 Cb 0.04 -0.43 0.00 0.00 0.56 0.00 0.00 36.38 36.55 1t17 s VAL 57 CO 0.14 0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.74 1t17 n GLY 58 N 4.47 -0.08 1.97 2.32 0.00 -1.26 -4.26 105.19 108.36 1t17 n GLY 58 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1t17 n GLY 58 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1t17 n PHE 59 N -1.20 0.00 0.15 1.61 -0.00 -1.26 -3.77 117.46 112.98 1t17 n PHE 59 Ca 0.00 -1.26 0.06 0.00 -0.00 0.00 0.00 57.45 56.25 1t17 n PHE 59 Cb 0.00 -1.30 0.11 0.00 -0.00 0.00 0.00 39.48 38.29 1t17 n PHE 59 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1t17 n SER 60 N 2.39 2.52 0.00 -2.13 7.64 -1.26 -4.94 113.62 117.84 1t17 n SER 60 Ca 0.32 -1.76 0.00 0.00 1.01 0.00 0.00 58.87 58.44 1t17 n SER 60 Cb 0.75 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1t17 n SER 60 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1t17 n PHE 61 N 0.64 0.00 -3.37 1.43 7.35 -1.25 -4.87 117.46 117.40 1t17 n PHE 61 Ca 0.10 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.63 1t17 n PHE 61 Cb 0.37 -1.55 -0.08 0.00 0.35 0.00 0.00 39.48 38.57 1t17 n PHE 61 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1t17 s LEU 62 N 0.00 -0.19 -0.83 -2.13 2.96 -1.26 -5.08 118.68 112.14 1t17 s LEU 62 Ca 0.00 -1.21 -0.25 0.00 -0.22 0.00 0.00 54.13 52.45 1t17 s LEU 62 Cb 0.00 0.61 -0.03 0.00 0.50 0.00 0.00 46.19 47.27 1t17 s LEU 62 CO 0.00 -0.31 1.84 -0.60 -1.32 0.00 0.00 176.35 175.96 1t17 s ARG 63 N 1.83 2.71 -0.02 1.98 6.06 -1.26 -4.76 118.95 125.48 1t17 s ARG 63 Ca 0.14 -0.13 -0.07 0.00 -2.50 0.00 0.00 55.73 53.17 1t17 s ARG 63 Cb -0.14 -4.87 0.01 0.00 0.06 0.00 0.00 34.95 30.01 1t17 s ARG 63 CO -0.15 -3.02 0.16 -1.21 -2.50 0.00 0.00 175.30 168.58 1t17 s GLU 64 N 6.75 0.40 0.10 5.12 2.02 -1.26 -5.06 118.70 126.76 1t17 s GLU 64 Ca 0.65 -0.17 0.04 0.00 0.02 0.00 0.00 54.97 55.51 1t17 s GLU 64 Cb -0.08 0.17 -0.04 0.00 0.10 0.00 0.00 34.13 34.29 1t17 s GLU 64 CO 0.05 -0.09 0.06 -1.59 0.02 0.00 0.00 175.26 173.71 1t17 s LYS 65 N -0.87 2.78 -0.01 1.61 -2.85 -1.26 -3.40 119.74 115.73 1t17 s LYS 65 Ca -0.10 -0.77 -0.04 0.00 -1.00 0.00 0.00 55.97 54.06 1t17 s LYS 65 Cb -0.05 -2.65 -0.00 0.00 -2.06 0.00 0.00 37.83 33.06 1t17 s LYS 65 CO 0.01 0.54 0.09 -0.06 0.10 0.00 0.00 175.35 176.03 1t17 s PHE 66 N -1.43 0.03 -0.01 1.78 0.08 -0.62 -5.00 117.98 112.81 1t17 s PHE 66 Ca 0.28 -0.06 0.08 0.00 0.12 0.00 0.00 56.93 57.35 1t17 s PHE 66 Cb -0.12 -0.05 -0.02 0.00 -0.57 0.00 0.00 43.02 42.27 1t17 s PHE 66 CO 0.21 -0.17 -0.24 0.00 -0.10 0.00 0.00 175.22 174.91 1t17 s ALA 67 N -0.84 2.04 0.01 5.36 0.00 -1.26 -1.17 121.76 125.90 1t17 s ALA 67 Ca -0.09 -1.08 -0.16 0.00 0.00 0.00 0.00 51.96 50.62 1t17 s ALA 67 Cb -0.05 -0.50 0.03 0.00 0.00 0.00 0.00 23.12 22.60 1t17 s ALA 67 CO 0.00 0.49 0.35 0.95 0.00 0.00 0.00 175.76 177.56 1t17 s THR 68 N -0.62 0.06 -0.45 0.00 -4.23 0.16 -1.92 115.64 108.65 1t17 s THR 68 Ca 0.10 -0.50 -0.29 0.00 -1.18 0.00 0.00 61.69 59.82 1t17 s THR 68 Cb -0.09 -0.81 0.01 0.00 1.34 0.00 0.00 72.50 72.95 1t17 s THR 68 CO -0.00 -0.28 1.38 -0.13 -0.54 0.00 0.00 174.62 175.05 1t17 s ARG 69 N -1.93 3.54 0.08 3.99 0.52 0.24 0.19 118.95 125.59 1t17 s ARG 69 Ca -0.09 0.81 -0.24 0.00 -0.52 0.00 0.00 55.73 55.68 1t17 s ARG 69 Cb -0.03 -4.03 -0.06 0.00 0.52 0.00 0.00 34.95 31.35 1t17 s ARG 69 CO 0.01 -1.61 0.74 0.54 0.02 0.00 0.00 175.30 175.00 1t17 s VAL 70 N 5.43 4.64 -0.11 3.52 0.11 0.20 -0.86 120.40 133.34 1t17 s VAL 70 Ca 0.58 1.59 -0.00 0.00 -2.93 0.00 0.00 61.98 61.22 1t17 s VAL 70 Cb -0.12 -4.09 0.02 0.00 -1.53 0.00 0.00 36.38 30.66 1t17 s VAL 70 CO 0.31 0.43 -0.08 -0.13 -3.33 0.00 0.00 175.10 172.31 1t17 s ARG 71 N -0.46 1.50 0.10 1.54 0.52 0.40 -1.35 118.95 121.20 1t17 s ARG 71 Ca 0.36 -0.25 0.10 0.00 -0.52 0.00 0.00 55.73 55.43 1t17 s ARG 71 Cb -0.21 -1.54 -0.04 0.00 0.52 0.00 0.00 34.95 33.69 1t17 s ARG 71 CO 0.23 -0.24 -0.27 -0.98 0.02 0.00 0.00 175.30 174.07 1t17 s ARG 72 N 1.60 1.53 -0.10 3.54 1.70 0.91 -1.21 118.95 126.91 1t17 s ARG 72 Ca 0.03 -1.27 -0.03 0.00 -0.47 0.00 0.00 55.73 53.98 1t17 s ARG 72 Cb -0.13 -1.92 0.05 0.00 -0.57 0.00 0.00 34.95 32.38 1t17 s ARG 72 CO -0.07 0.47 0.13 0.34 -1.08 0.00 0.00 175.30 175.09 1t17 s ASP 73 N -1.80 1.22 0.00 -2.89 -1.08 -1.19 0.03 116.67 110.95 1t17 s ASP 73 Ca 0.13 0.03 0.28 0.00 -0.52 0.00 0.00 52.55 52.47 1t17 s ASP 73 Cb -0.10 0.09 1.10 0.00 -1.46 0.00 0.00 42.92 42.55 1t17 s ASP 73 CO 0.05 -0.28 1.81 2.29 0.52 0.00 0.00 175.17 179.57 1t17 n LYS 74 N 5.31 0.17 -0.01 4.34 2.85 0.56 -0.01 118.16 131.38 1t17 n LYS 74 Ca -0.05 -0.04 0.04 0.00 -1.05 0.00 0.00 58.31 57.21 1t17 n LYS 74 Cb 0.50 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.25 1t17 n LYS 74 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1t17 n ASP 75 N -1.38 0.29 -0.03 -5.58 9.92 -1.22 -4.23 116.55 114.34 1t17 n ASP 75 Ca 0.09 0.12 0.05 0.00 -0.53 0.00 0.00 54.79 54.52 1t17 n ASP 75 Cb 0.32 1.19 -0.15 0.00 -0.64 0.00 0.00 41.12 41.84 1t17 n ASP 75 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1t17 n ALA 76 N -2.39 2.43 -3.10 2.24 0.00 -1.18 -4.99 120.51 113.52 1t17 n ALA 76 Ca -0.11 -0.64 -0.23 0.00 0.00 0.00 0.00 53.44 52.46 1t17 n ALA 76 Cb 0.75 -0.53 0.04 0.00 0.00 0.00 0.00 19.45 19.71 1t17 n ALA 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1t17 n ARG 77 N -2.29 -5.27 -4.33 0.00 3.00 0.98 -4.88 116.66 103.87 1t17 n ARG 77 Ca -0.10 0.90 -0.17 0.00 -0.01 0.00 0.00 57.85 58.47 1t17 n ARG 77 Cb 0.65 -5.79 -0.10 0.00 0.00 0.00 0.00 32.46 27.22 1t17 n ARG 77 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1t17 s SER 78 N -2.78 1.59 0.06 0.55 1.04 -1.20 -4.21 113.70 108.74 1t17 s SER 78 Ca 0.34 -1.29 0.07 0.00 0.48 0.00 0.00 55.95 55.56 1t17 s SER 78 Cb -0.15 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 1t17 s SER 78 CO 0.42 -0.61 -0.20 -0.51 0.98 0.00 0.00 173.24 173.33 1t17 s ILE 79 N -3.55 1.62 -0.18 -1.02 1.10 0.06 -3.19 121.20 116.05 1t17 s ILE 79 Ca 0.32 -1.28 -0.15 0.00 -0.51 0.00 0.00 60.65 59.03 1t17 s ILE 79 Cb 0.07 -1.44 0.05 0.00 0.15 0.00 0.00 42.46 41.29 1t17 s ILE 79 CO 0.10 0.11 0.46 -0.62 -2.11 0.00 0.00 174.94 172.88 1t17 s ASP 80 N -1.39 -0.50 0.02 4.50 -1.08 -0.35 -0.72 116.67 117.15 1t17 s ASP 80 Ca 0.07 0.94 0.01 0.00 -0.52 0.00 0.00 52.55 53.04 1t17 s ASP 80 Cb -0.09 0.93 -0.01 0.00 -1.46 0.00 0.00 42.92 42.29 1t17 s ASP 80 CO 0.02 -0.17 -0.04 -0.69 0.52 0.00 0.00 175.17 174.82 1t17 s VAL 81 N 0.45 0.21 0.22 1.11 1.01 0.58 0.15 120.40 124.13 1t17 s VAL 81 Ca -0.02 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1t17 s VAL 81 Cb -0.04 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 1t17 s VAL 81 CO -0.02 -0.30 0.02 -0.44 0.00 0.00 0.00 175.10 174.36 1t17 s SER 82 N -1.03 1.45 0.25 3.32 0.01 -0.04 -1.41 113.70 116.25 1t17 s SER 82 Ca -0.09 -1.25 -0.30 0.00 1.31 0.00 0.00 55.95 55.62 1t17 s SER 82 Cb -0.07 0.09 -0.10 0.00 0.21 0.00 0.00 66.02 66.14 1t17 s SER 82 CO -0.00 -0.59 1.45 -0.76 0.41 0.00 0.00 173.24 173.75 1t17 s LEU 83 N -3.26 4.38 0.09 2.44 1.43 -1.17 0.83 118.68 123.42 1t17 s LEU 83 Ca 0.29 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 56.07 1t17 s LEU 83 Cb 0.06 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1t17 s LEU 83 CO 0.08 -0.72 0.00 -0.11 0.23 0.00 0.00 176.35 175.84 1t17 n LEU 84 N 2.39 0.61 0.00 1.79 0.00 -1.15 -4.47 117.00 116.18 1t17 n LEU 84 Ca 0.07 0.13 0.00 0.00 0.00 0.00 0.00 56.01 56.21 1t17 n LEU 84 Cb 0.40 -0.15 0.00 0.00 0.00 0.00 0.00 43.42 43.67 1t17 n LEU 84 CO 0.61 -0.54 0.05 0.00 0.00 0.00 0.00 177.39 177.51 1t17 n TYR 85 N -3.31 0.00 0.00 1.96 9.36 -0.91 -4.97 117.16 119.28 1t17 n TYR 85 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1t17 n TYR 85 Cb 0.14 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.85 1t17 n TYR 85 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1t17 n GLY 86 N 0.19 -3.18 3.55 2.98 0.00 -0.81 -4.75 105.19 103.17 1t17 n GLY 86 Ca 0.00 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 1t17 n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1t17 s PRO 87 N 0.00 2.97 -0.55 1.61 0.04 -1.26 -4.91 135.00 132.90 1t17 s PRO 87 Ca 0.00 -0.12 -0.29 0.00 0.04 0.00 0.00 61.00 60.64 1t17 s PRO 87 Cb 0.00 -4.58 -0.11 0.00 0.04 0.00 0.00 34.50 29.85 1t17 s PRO 87 CO 0.00 -2.54 2.43 1.19 0.04 0.00 0.00 177.00 178.12 1t17 n PHE 88 N 11.11 1.32 0.06 0.56 3.72 -1.26 -3.85 117.46 129.12 1t17 n PHE 88 Ca 0.19 0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.77 1t17 n PHE 88 Cb 0.50 -2.58 0.00 0.00 -0.94 0.00 0.00 39.48 36.46 1t17 n PHE 88 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1t17 n LYS 89 N 8.77 0.00 0.00 -1.08 4.81 -1.26 -5.13 118.16 124.26 1t17 n LYS 89 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1t17 n LYS 89 Cb 0.39 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.44 1t17 n LYS 89 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1t17 n ARG 90 N -2.77 0.00 -3.60 1.64 0.63 -1.25 -5.05 116.66 106.25 1t17 n ARG 90 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 1t17 n ARG 90 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 1t17 n ARG 90 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1t17 s LEU 91 N 0.00 -0.16 0.04 6.15 0.20 -1.26 -0.73 118.68 122.92 1t17 s LEU 91 Ca 0.00 0.25 -0.10 0.00 0.69 0.00 0.00 54.13 54.97 1t17 s LEU 91 Cb 0.00 1.23 0.01 0.00 -0.43 0.00 0.00 46.19 46.99 1t17 s LEU 91 CO 0.00 -0.04 0.22 0.20 -0.29 0.00 0.00 176.35 176.44 1t17 s ASN 92 N 1.22 -0.00 -0.10 3.68 0.01 -0.42 -3.04 114.94 116.28 1t17 s ASN 92 Ca -0.07 -0.31 -0.04 0.00 -0.71 0.00 0.00 52.86 51.73 1t17 s ASN 92 Cb -0.02 0.30 0.05 0.00 0.41 0.00 0.00 41.25 41.99 1t17 s ASN 92 CO -0.11 -0.56 0.18 0.20 -1.51 0.00 0.00 177.10 175.30 1t17 s ASN 93 N -2.03 0.75 0.06 -1.22 -0.87 -0.50 -0.51 114.94 110.63 1t17 s ASN 93 Ca -0.06 0.33 -0.15 0.00 -1.57 0.00 0.00 52.86 51.41 1t17 s ASN 93 Cb -0.01 0.36 0.02 0.00 -0.02 0.00 0.00 41.25 41.60 1t17 s ASN 93 CO -0.03 -0.25 0.34 -0.83 -2.57 0.00 0.00 177.10 173.75 1t17 s GLY 94 N 2.32 -0.17 -0.03 0.66 0.00 -1.00 0.21 107.32 109.32 1t17 s GLY 94 Ca 0.03 0.01 -0.16 0.00 0.00 0.00 0.00 44.72 44.60 1t17 s GLY 94 CO -0.07 -0.23 0.35 0.66 0.00 0.00 0.00 173.10 173.81 1t17 s TRP 95 N -2.92 -0.24 0.05 1.90 1.48 0.10 -0.92 118.94 118.40 1t17 s TRP 95 Ca -0.02 0.40 0.00 0.00 -1.06 0.00 0.00 56.10 55.42 1t17 s TRP 95 Cb 0.00 0.13 -0.03 0.00 -1.16 0.00 0.00 33.47 32.41 1t17 s TRP 95 CO -0.06 -0.39 -0.05 1.03 -4.06 0.00 0.00 176.95 173.42 1t17 s ARG 96 N -1.19 0.59 0.35 3.25 0.52 0.57 -0.76 118.95 122.27 1t17 s ARG 96 Ca -0.12 -1.03 -0.06 0.00 -0.52 0.00 0.00 55.73 53.99 1t17 s ARG 96 Cb -0.05 -0.01 -0.05 0.00 0.52 0.00 0.00 34.95 35.36 1t17 s ARG 96 CO 0.04 -0.04 0.64 -0.06 0.02 0.00 0.00 175.30 175.90 1t17 s PHE 97 N -2.84 3.48 -0.34 -0.53 0.08 -1.26 -0.69 117.98 115.88 1t17 s PHE 97 Ca 0.00 0.76 0.04 0.00 0.12 0.00 0.00 56.93 57.86 1t17 s PHE 97 Cb 0.00 -2.21 0.17 0.00 -0.57 0.00 0.00 43.02 40.41 1t17 s PHE 97 CO -0.05 0.04 0.48 1.41 -0.10 0.00 0.00 175.22 177.01 1t17 s MET 98 N -3.79 0.60 0.50 0.44 1.75 0.56 -4.90 119.30 114.46 1t17 s MET 98 Ca 0.46 -0.17 -0.19 0.00 -1.25 0.00 0.00 55.69 54.54 1t17 s MET 98 Cb -0.10 -0.23 -0.08 0.00 2.84 0.00 0.00 34.83 37.26 1t17 s MET 98 CO 0.32 -1.12 1.04 -1.25 -0.65 0.00 0.00 175.02 173.36 1t17 s PRO 99 N 2.12 3.73 -0.46 4.11 0.04 -1.26 0.12 135.00 143.40 1t17 s PRO 99 Ca 0.13 1.32 0.07 0.00 0.04 0.00 0.00 61.00 62.56 1t17 s PRO 99 Cb -0.11 -2.09 0.24 0.00 0.04 0.00 0.00 34.50 32.59 1t17 s PRO 99 CO -0.17 -0.49 0.77 0.39 0.04 0.00 0.00 177.00 177.54 1t17 n GLU 100 N -1.15 0.76 0.00 4.56 1.02 -0.82 -4.80 120.64 120.21 1t17 n GLU 100 Ca 0.09 -2.22 0.00 0.00 -0.02 0.00 0.00 57.16 55.01 1t17 n GLU 100 Cb 0.53 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 1t17 n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t17 n GLY 101 N 1.58 1.01 0.14 0.62 0.00 -1.26 -4.24 105.19 103.04 1t17 n GLY 101 Ca 0.13 -1.59 -0.00 0.00 0.00 0.00 0.00 46.02 44.56 1t17 n GLY 101 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1t17 h ASP 102 N 0.00 0.00 -2.05 1.61 2.03 -1.99 -3.44 116.42 112.58 1t17 h ASP 102 Ca 0.00 0.00 -0.44 0.00 -0.73 0.00 0.00 57.03 55.86 1t17 h ASP 102 Cb 0.00 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.51 1t17 h ASP 102 CO 0.00 0.61 -0.28 0.00 -1.03 0.00 0.00 179.24 178.54 1t17 s ALA 103 N -3.40 4.11 0.06 4.15 0.00 -1.26 -4.47 121.76 120.96 1t17 s ALA 103 Ca -0.00 -1.36 0.07 0.00 0.00 0.00 0.00 51.96 50.67 1t17 s ALA 103 Cb 0.11 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 1t17 s ALA 103 CO 0.75 -0.12 -0.19 -0.08 0.00 0.00 0.00 175.76 176.12 1t17 s THR 104 N -2.27 1.55 -0.12 0.00 -1.32 -0.59 -1.94 115.64 110.96 1t17 s THR 104 Ca 0.46 -1.29 0.01 0.00 -1.21 0.00 0.00 61.69 59.66 1t17 s THR 104 Cb -0.10 -1.39 -0.01 0.00 -1.51 0.00 0.00 72.50 69.50 1t17 s THR 104 CO 0.33 0.05 -0.17 -0.60 -2.21 0.00 0.00 174.62 172.02 1t17 s ARG 105 N -1.46 3.27 -0.05 7.08 3.52 0.33 -0.09 118.95 131.56 1t17 s ARG 105 Ca 0.05 -0.75 0.01 0.00 -0.13 0.00 0.00 55.73 54.91 1t17 s ARG 105 Cb -0.09 -2.52 -0.03 0.00 -1.56 0.00 0.00 34.95 30.74 1t17 s ARG 105 CO 0.03 0.21 -0.04 0.08 -0.81 0.00 0.00 175.30 174.77 1t17 s VAL 106 N 0.34 3.95 -0.12 7.11 1.01 0.12 0.21 120.40 133.01 1t17 s VAL 106 Ca -0.14 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1t17 s VAL 106 Cb -0.17 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.56 1t17 s VAL 106 CO 0.07 0.53 -0.17 -1.61 0.00 0.00 0.00 175.10 173.92 1t17 s GLU 107 N -1.06 2.42 -0.23 2.72 2.02 0.13 -1.71 118.70 122.99 1t17 s GLU 107 Ca 0.15 -0.63 0.01 0.00 0.02 0.00 0.00 54.97 54.52 1t17 s GLU 107 Cb -0.11 -2.06 0.05 0.00 0.10 0.00 0.00 34.13 32.12 1t17 s GLU 107 CO 0.04 -0.09 -0.08 0.12 0.02 0.00 0.00 175.26 175.27 1t17 s PHE 108 N 1.05 2.59 -0.23 1.61 5.36 -0.42 -0.32 117.98 127.62 1t17 s PHE 108 Ca -0.04 -1.83 -0.09 0.00 -0.96 0.00 0.00 56.93 54.00 1t17 s PHE 108 Cb -0.15 -1.67 -0.05 0.00 -0.34 0.00 0.00 43.02 40.82 1t17 s PHE 108 CO -0.04 -0.79 0.13 0.14 -1.46 0.00 0.00 175.22 173.20 1t17 s VAL 109 N 1.33 5.10 -0.12 3.12 -7.23 -0.09 -1.64 120.40 120.86 1t17 s VAL 109 Ca -0.05 0.09 0.01 0.00 -1.81 0.00 0.00 61.98 60.21 1t17 s VAL 109 Cb -0.18 -3.36 -0.01 0.00 0.56 0.00 0.00 36.38 33.38 1t17 s VAL 109 CO -0.07 0.37 -0.14 0.27 -0.31 0.00 0.00 175.10 175.22 1t17 s ILE 110 N 0.96 2.95 0.01 -0.62 -5.25 -0.12 -2.37 121.20 116.76 1t17 s ILE 110 Ca 0.06 -0.71 0.02 0.00 -0.99 0.00 0.00 60.65 59.04 1t17 s ILE 110 Cb -0.13 -2.22 -0.01 0.00 2.95 0.00 0.00 42.46 43.04 1t17 s ILE 110 CO 0.03 0.53 -0.08 -1.61 -1.79 0.00 0.00 174.94 172.03 1t17 s GLU 111 N 0.25 0.58 -0.05 0.37 2.02 0.34 -0.06 118.70 122.15 1t17 s GLU 111 Ca -0.10 -0.43 -0.30 0.00 0.02 0.00 0.00 54.97 54.16 1t17 s GLU 111 Cb -0.16 -0.51 0.11 0.00 0.10 0.00 0.00 34.13 33.68 1t17 s GLU 111 CO 0.06 0.13 0.96 -0.59 0.02 0.00 0.00 175.26 175.84 1t17 s PHE 112 N -0.54 -0.29 -0.17 1.61 -0.12 -0.53 -1.30 117.98 116.63 1t17 s PHE 112 Ca -0.01 0.18 0.01 0.00 -0.05 0.00 0.00 56.93 57.06 1t17 s PHE 112 Cb -0.05 0.53 0.01 0.00 -0.63 0.00 0.00 43.02 42.89 1t17 s PHE 112 CO 0.00 -0.47 -0.20 0.00 -0.05 0.00 0.00 175.22 174.51 1t17 s ALA 113 N -2.96 2.34 0.36 1.99 0.00 0.09 -2.39 121.76 121.19 1t17 s ALA 113 Ca 0.06 -1.17 0.07 0.00 0.00 0.00 0.00 51.96 50.92 1t17 s ALA 113 Cb -0.01 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 1t17 s ALA 113 CO -0.08 -0.25 0.47 -0.06 0.00 0.00 0.00 175.76 175.85 1t17 s PHE 114 N 1.14 2.98 -0.19 0.00 0.08 -1.26 -4.91 117.98 115.83 1t17 s PHE 114 Ca 0.01 -0.29 -0.16 0.00 0.12 0.00 0.00 56.93 56.61 1t17 s PHE 114 Cb -0.14 -2.09 -0.11 0.00 -0.57 0.00 0.00 43.02 40.11 1t17 s PHE 114 CO -0.09 -0.11 -0.08 1.63 -0.10 0.00 0.00 175.22 176.47 1t17 n LYS 115 N -1.66 0.52 -2.52 0.44 4.01 -1.26 -4.88 118.16 112.81 1t17 n LYS 115 Ca 0.02 0.47 -0.42 0.00 -0.51 0.00 0.00 58.31 57.87 1t17 n LYS 115 Cb 0.59 -1.65 -0.03 0.00 -0.51 0.00 0.00 35.03 33.43 1t17 n LYS 115 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1t17 s SER 116 N -6.42 7.15 0.13 4.39 0.01 -1.26 -4.93 113.70 112.78 1t17 s SER 116 Ca -0.25 1.84 -0.12 0.00 1.31 0.00 0.00 55.95 58.72 1t17 s SER 116 Cb 0.06 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.68 1t17 s SER 116 CO 0.42 -0.46 1.50 0.00 0.41 0.00 0.00 173.24 175.11 1t17 h ALA 117 N 7.02 0.56 0.12 1.44 0.00 -1.98 0.44 119.26 126.86 1t17 h ALA 117 Ca -0.38 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 1t17 h ALA 117 Cb 1.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1t17 h ALA 117 CO 0.82 0.55 -0.06 -0.07 0.00 0.00 0.00 179.25 180.50 1t17 h LEU 118 N 0.67 -0.13 -1.83 0.00 -0.00 -2.00 -2.32 115.31 109.70 1t17 h LEU 118 Ca 0.08 -0.20 -0.02 0.00 -0.00 0.00 0.00 57.88 57.74 1t17 h LEU 118 Cb 0.80 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.49 1t17 h LEU 118 CO 0.07 0.12 -0.11 -0.07 -0.00 0.00 0.00 178.44 178.45 1t17 h LEU 119 N -0.39 0.00 -0.08 1.67 3.38 -1.96 0.61 115.31 118.54 1t17 h LEU 119 Ca -0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1t17 h LEU 119 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1t17 h LEU 119 CO 0.03 0.11 0.00 -0.78 0.09 0.00 0.00 178.44 177.89 1t17 h ASP 120 N 0.00 -0.03 0.41 -0.43 -0.00 0.43 0.85 116.42 117.66 1t17 h ASP 120 Ca -0.00 0.02 -0.28 0.00 -0.00 0.00 0.00 57.03 56.76 1t17 h ASP 120 Cb 0.39 0.03 0.02 0.00 -0.00 0.00 0.00 39.33 39.77 1t17 h ASP 120 CO 0.01 -0.00 -1.25 0.00 -0.00 0.00 0.00 179.24 178.01 1t17 h ALA 121 N 1.07 0.07 -0.17 -0.78 0.00 -1.17 0.02 119.26 118.30 1t17 h ALA 121 Ca 0.04 -0.83 0.01 0.00 0.00 0.00 0.00 54.91 54.13 1t17 h ALA 121 Cb 0.04 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1t17 h ALA 121 CO -0.06 0.83 0.08 1.98 0.00 0.00 0.00 179.25 182.08 1t17 h MET 122 N 0.15 0.16 -0.02 0.00 4.05 -0.63 0.92 114.93 119.57 1t17 h MET 122 Ca -0.16 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.16 1t17 h MET 122 Cb 1.94 -0.04 0.01 0.00 -0.80 0.00 0.00 31.60 32.71 1t17 h MET 122 CO 0.22 0.11 -0.35 -0.07 0.23 0.00 0.00 176.91 177.05 1t17 h LEU 123 N 0.17 0.34 -0.47 3.39 3.38 0.63 -2.51 115.31 120.24 1t17 h LEU 123 Ca 0.07 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1t17 h LEU 123 Cb 0.02 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1t17 h LEU 123 CO -0.05 1.03 0.00 0.00 0.09 0.00 0.00 178.44 179.50 1t17 n ALA 124 N -2.54 1.31 -0.07 1.53 0.00 -0.01 -0.04 120.51 120.69 1t17 n ALA 124 Ca -0.09 0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 1t17 n ALA 124 Cb 0.54 -1.21 -0.08 0.00 0.00 0.00 0.00 19.45 18.70 1t17 n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t17 h ALA 125 N 2.18 0.07 0.00 0.00 0.00 0.11 -3.33 119.26 118.29 1t17 h ALA 125 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1t17 h ALA 125 Cb 0.14 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1t17 h ALA 125 CO 0.00 0.26 0.00 -2.95 0.00 0.00 0.00 179.25 176.56 1t17 h ASN 126 N -1.00 0.00 -0.74 0.00 7.08 -1.00 -2.96 115.58 116.96 1t17 h ASN 126 Ca -0.09 0.00 0.13 0.00 -3.08 0.00 0.00 56.30 53.26 1t17 h ASN 126 Cb 0.77 0.00 -0.09 0.00 -2.08 0.00 0.00 38.32 36.92 1t17 h ASN 126 CO -0.05 0.00 0.31 1.62 -2.08 0.00 0.00 177.43 177.23 1t17 h VAL 127 N 0.00 0.71 -0.32 6.14 3.04 -0.56 0.53 116.25 125.79 1t17 h VAL 127 Ca 0.00 -0.17 -0.05 0.00 -1.01 0.00 0.00 66.70 65.47 1t17 h VAL 127 Cb 0.46 0.19 -0.02 0.00 -2.01 0.00 0.00 31.29 29.91 1t17 h VAL 127 CO 0.00 0.09 -0.01 -0.78 -1.01 0.00 0.00 177.57 175.85 1t17 h ASP 128 N 0.49 0.46 -0.15 3.17 1.82 -1.68 0.41 116.42 120.93 1t17 h ASP 128 Ca 0.39 -0.09 -0.05 0.00 -0.39 0.00 0.00 57.03 56.90 1t17 h ASP 128 Cb 0.55 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 40.43 1t17 h ASP 128 CO -0.36 0.54 -0.08 0.03 -1.61 0.00 0.00 179.24 177.75 1t17 h ARG 129 N 0.47 0.33 0.12 0.28 2.47 -0.32 0.38 114.38 118.11 1t17 h ARG 129 Ca 0.10 -0.15 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 1t17 h ARG 129 Cb 0.33 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1t17 h ARG 129 CO 0.01 0.66 -0.06 0.00 0.56 0.00 0.00 179.97 181.14 1t17 h ALA 130 N 0.66 -0.16 -0.71 0.04 0.00 0.09 0.76 119.26 119.94 1t17 h ALA 130 Ca 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1t17 h ALA 130 Cb 0.56 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1t17 h ALA 130 CO 0.02 -0.57 0.36 0.00 0.00 0.00 0.00 179.25 179.07 1t17 h ALA 131 N 0.67 1.30 -0.56 0.00 0.00 -0.93 -1.24 119.26 118.49 1t17 h ALA 131 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1t17 h ALA 131 Cb 0.16 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1t17 h ALA 131 CO 0.03 0.56 0.36 0.78 0.00 0.00 0.00 179.25 180.97 1t17 h GLY 132 N 1.06 0.80 1.30 0.00 0.00 0.31 -0.49 103.07 106.05 1t17 h GLY 132 Ca 0.25 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 1t17 h GLY 132 CO -0.04 0.30 0.06 0.07 0.00 0.00 0.00 176.54 176.94 1t17 h LYS 133 N 0.76 0.86 -0.63 4.80 5.09 -0.30 -0.66 116.57 126.49 1t17 h LYS 133 Ca 0.20 -0.21 -0.03 0.00 0.09 0.00 0.00 60.65 60.70 1t17 h LYS 133 Cb -0.06 -0.11 -0.03 0.00 0.10 0.00 0.00 32.23 32.13 1t17 h LYS 133 CO -0.04 0.82 0.27 1.37 -2.09 0.00 0.00 179.45 179.77 1t17 h LEU 134 N 0.81 0.83 -0.42 7.07 8.10 -0.50 0.37 115.31 131.56 1t17 h LEU 134 Ca 0.17 -0.10 -0.15 0.00 0.11 0.00 0.00 57.88 57.90 1t17 h LEU 134 Cb 0.39 -0.21 -0.01 0.00 -0.44 0.00 0.00 40.66 40.39 1t17 h LEU 134 CO 0.01 0.73 -0.35 0.40 -4.11 0.00 0.00 178.44 175.12 1t17 h ILE 135 N 0.90 1.27 -0.22 0.15 1.08 -0.39 -0.07 117.51 120.24 1t17 h ILE 135 Ca 0.22 -1.52 -0.10 0.00 -0.39 0.00 0.00 64.86 63.06 1t17 h ILE 135 Cb 0.15 1.32 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 1t17 h ILE 135 CO -0.02 0.51 -0.31 0.00 -0.69 0.00 0.00 178.15 177.64 1t17 h ALA 136 N 0.81 1.07 0.09 1.87 0.00 -0.41 0.01 119.26 122.70 1t17 h ALA 136 Ca 0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1t17 h ALA 136 Cb 0.94 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1t17 h ALA 136 CO 0.09 0.57 -0.04 0.00 0.00 0.00 0.00 179.25 179.87 1t17 h PHE 138 N -0.49 0.75 0.13 0.00 3.57 -0.86 0.31 116.94 120.35 1t17 h PHE 138 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1t17 h PHE 138 Cb 0.41 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1t17 h PHE 138 CO 0.05 0.38 -0.06 1.49 -2.23 0.00 0.00 178.31 177.93 1t17 h GLU 139 N 0.76 -0.17 -1.00 1.11 4.81 -0.92 0.10 114.58 119.27 1t17 h GLU 139 Ca 0.30 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.62 1t17 h GLU 139 Cb 0.15 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.50 1t17 h GLU 139 CO -0.17 0.05 0.64 0.00 -0.73 0.00 0.00 179.01 178.81 1t17 h ALA 140 N 0.47 1.41 -0.45 2.92 0.00 -0.37 0.20 119.26 123.44 1t17 h ALA 140 Ca -0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1t17 h ALA 140 Cb 0.30 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1t17 h ALA 140 CO 0.03 0.39 -0.06 0.00 0.00 0.00 0.00 179.25 179.61 1t17 h ARG 141 N 1.13 0.78 -0.68 0.00 3.08 -0.11 0.30 114.38 118.88 1t17 h ARG 141 Ca 0.45 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 1t17 h ARG 141 Cb 0.23 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1t17 h ARG 141 CO -0.19 0.83 0.28 0.00 -1.07 0.00 0.00 179.97 179.82 1t17 h ALA 142 N 1.21 0.89 -0.02 0.04 0.00 0.11 0.29 119.26 121.78 1t17 h ALA 142 Ca 0.13 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1t17 h ALA 142 Cb 0.53 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1t17 h ALA 142 CO 0.03 0.50 -0.77 0.37 0.00 0.00 0.00 179.25 179.38 1t17 h GLN 143 N 0.97 0.19 -0.29 0.00 4.15 -0.75 -0.91 115.11 118.47 1t17 h GLN 143 Ca 0.23 -0.17 -0.14 0.00 0.77 0.00 0.00 58.65 59.33 1t17 h GLN 143 Cb 0.19 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1t17 h GLN 143 CO -0.02 0.87 -0.41 0.37 -1.93 0.00 0.00 178.83 177.71 1t17 h GLN 144 N 0.12 0.69 0.16 1.69 4.15 0.10 0.75 115.11 122.77 1t17 h GLN 144 Ca -0.03 -0.36 -0.01 0.00 0.77 0.00 0.00 58.65 59.02 1t17 h GLN 144 Cb 1.35 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.05 1t17 h GLN 144 CO 0.12 0.97 -0.08 1.25 -1.93 0.00 0.00 178.83 179.16 1t17 h LEU 145 N 0.57 -0.18 -1.69 -2.39 6.46 -0.39 -3.02 115.31 114.67 1t17 h LEU 145 Ca 0.05 -0.34 -0.04 0.00 -0.12 0.00 0.00 57.88 57.43 1t17 h LEU 145 Cb 0.94 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.91 1t17 h LEU 145 CO 0.09 0.38 -0.17 0.45 -0.62 0.00 0.00 178.44 178.56 1t17 h HIS 146 N -0.88 0.00 0.42 1.25 3.86 -1.20 -2.95 115.15 115.64 1t17 h HIS 146 Ca -0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1t17 h HIS 146 Cb 0.52 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 1t17 h HIS 146 CO 0.08 0.17 -0.43 0.78 0.86 0.00 0.00 177.93 179.39 1t17 h GLY 147 N 0.56 -1.04 0.00 2.45 0.00 0.53 -3.50 103.07 102.07 1t17 h GLY 147 Ca -0.00 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1t17 h GLY 147 CO 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 176.54 176.23