#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3sc2 h ALA -3 N 0.00 1.61 0.00 1.59 0.00 -1.99 -1.19 119.26 119.28 3sc2 h ALA -3 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3sc2 h ALA -3 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3sc2 h ALA -3 CO 0.00 0.15 -0.29 0.00 0.00 0.00 0.00 179.25 179.11 3sc2 h ALA -2 N 1.88 1.23 -0.01 0.00 0.00 -2.01 -2.73 119.26 117.63 3sc2 h ALA -2 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3sc2 h ALA -2 Cb 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3sc2 h ALA -2 CO 0.02 0.37 -0.10 -0.25 0.00 0.00 0.00 179.25 179.29 3sc2 n ASP -1 N -3.78 0.76 -4.77 0.00 8.00 -0.46 -4.92 116.55 111.39 3sc2 n ASP -1 Ca -0.01 -0.91 -0.40 0.00 0.71 0.00 0.00 54.79 54.18 3sc2 n ASP -1 Cb 0.39 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.46 3sc2 n ASP -1 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3sc2 s ARG 0 N -2.30 4.18 -0.16 -1.24 3.52 -1.03 -1.31 118.95 120.60 3sc2 s ARG 0 Ca 0.33 2.04 -0.12 0.00 -0.13 0.00 0.00 55.73 57.85 3sc2 s ARG 0 Cb 0.20 -2.87 -0.05 0.00 -1.56 0.00 0.00 34.95 30.68 3sc2 s ARG 0 CO 0.44 -0.27 0.22 0.42 -0.81 0.00 0.00 175.30 175.29 3sc2 s ILE 1 N -1.26 5.35 -0.06 4.11 1.01 -0.69 -4.90 121.20 124.77 3sc2 s ILE 1 Ca 0.53 0.39 -0.01 0.00 0.00 0.00 0.00 60.65 61.57 3sc2 s ILE 1 Cb -0.36 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 38.56 3sc2 s ILE 1 CO 0.46 0.45 -0.01 0.00 0.00 0.00 0.00 174.94 175.83 3sc2 h ALA 2 N 6.36 0.00 -2.05 9.38 0.00 -1.94 -3.42 119.26 127.59 3sc2 h ALA 2 Ca -0.43 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 3sc2 h ALA 2 Cb 1.17 0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.79 3sc2 h ALA 2 CO 0.73 0.04 0.12 -0.98 0.00 0.00 0.00 179.25 179.16 3sc2 s ARG 3 N -1.34 0.88 0.27 0.00 1.04 -1.26 -5.05 118.95 113.49 3sc2 s ARG 3 Ca -0.01 0.76 -0.11 0.00 -1.04 0.00 0.00 55.73 55.33 3sc2 s ARG 3 Cb 0.00 0.42 -0.08 0.00 -2.04 0.00 0.00 34.95 33.26 3sc2 s ARG 3 CO 0.02 -0.16 0.61 -0.51 -0.04 0.00 0.00 175.30 175.22 3sc2 s LEU 4 N -0.07 4.11 0.13 -1.89 1.43 -1.26 -5.01 118.68 116.12 3sc2 s LEU 4 Ca -0.03 1.02 -0.33 0.00 -1.03 0.00 0.00 54.13 53.76 3sc2 s LEU 4 Cb -0.04 -3.80 -0.13 0.00 0.03 0.00 0.00 46.19 42.25 3sc2 s LEU 4 CO 0.03 -0.14 1.69 -2.65 0.23 0.00 0.00 176.35 175.52 3sc2 n PRO 5 N -0.32 2.39 -0.99 1.29 -0.01 -1.26 -0.66 135.00 135.44 3sc2 n PRO 5 Ca 0.01 0.87 0.00 0.00 -0.01 0.00 0.00 63.50 64.37 3sc2 n PRO 5 Cb 0.53 -2.68 0.00 0.00 -0.01 0.00 0.00 33.50 31.33 3sc2 n PRO 5 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3sc2 n GLY 6 N 3.79 0.86 3.74 -1.23 0.00 -1.26 -4.36 105.19 106.73 3sc2 n GLY 6 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3sc2 n GLY 6 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3sc2 s GLN 7 N -0.03 4.47 0.79 1.61 0.74 0.16 -2.55 119.66 124.86 3sc2 s GLN 7 Ca 0.00 1.93 -0.12 0.00 0.05 0.00 0.00 55.36 57.22 3sc2 s GLN 7 Cb 0.00 -3.22 0.06 0.00 1.10 0.00 0.00 33.01 30.95 3sc2 s GLN 7 CO 0.00 -0.12 1.11 -2.14 -0.55 0.00 0.00 175.29 173.59 3sc2 s PRO 8 N -0.32 2.17 0.19 1.67 0.02 -1.26 -4.92 135.00 132.54 3sc2 s PRO 8 Ca 0.53 0.48 -0.30 0.00 0.02 0.00 0.00 61.00 61.73 3sc2 s PRO 8 Cb -0.34 -1.94 -0.08 0.00 0.02 0.00 0.00 34.50 32.16 3sc2 s PRO 8 CO 0.38 -1.53 1.27 0.00 -0.33 0.00 0.00 177.00 176.79 3sc2 s ALA 9 N -3.28 3.49 0.35 -1.55 0.00 -1.26 -5.02 121.76 114.48 3sc2 s ALA 9 Ca 0.61 1.04 0.03 0.00 0.00 0.00 0.00 51.96 53.64 3sc2 s ALA 9 Cb -0.13 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 3sc2 s ALA 9 CO 0.53 -0.47 0.11 0.14 0.00 0.00 0.00 175.76 176.07 3sc2 s VAL 10 N 0.10 0.69 -0.33 0.00 -7.23 -1.26 -5.06 120.40 107.31 3sc2 s VAL 10 Ca 0.55 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.79 3sc2 s VAL 10 Cb -0.35 -2.53 0.46 0.00 0.56 0.00 0.00 36.38 34.52 3sc2 s VAL 10 CO 0.37 0.00 1.32 -0.90 -0.31 0.00 0.00 175.10 175.58 3sc2 n ASP 11 N -0.98 4.70 -3.74 4.85 5.75 -1.26 -4.99 116.55 120.88 3sc2 n ASP 11 Ca -0.03 -3.78 -0.12 0.00 -0.01 0.00 0.00 54.79 50.86 3sc2 n ASP 11 Cb 0.65 -0.47 -0.07 0.00 -1.03 0.00 0.00 41.12 40.21 3sc2 n ASP 11 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3sc2 s PHE 14 N -3.56 -0.13 0.47 2.11 -0.12 -1.26 -4.53 117.98 110.97 3sc2 s PHE 14 Ca 0.51 0.01 -0.02 0.00 -0.05 0.00 0.00 56.93 57.38 3sc2 s PHE 14 Cb 0.42 0.11 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 3sc2 s PHE 14 CO 0.02 -0.51 0.72 -0.51 -0.05 0.00 0.00 175.22 174.89 3sc2 s ASP 15 N -2.04 5.87 0.02 1.98 1.01 -1.26 -4.93 116.67 117.31 3sc2 s ASP 15 Ca -0.05 0.46 0.01 0.00 0.71 0.00 0.00 52.55 53.67 3sc2 s ASP 15 Cb -0.01 -1.69 -0.01 0.00 1.01 0.00 0.00 42.92 42.22 3sc2 s ASP 15 CO -0.03 -0.73 -0.04 0.00 0.21 0.00 0.00 175.17 174.58 3sc2 s MET 16 N -4.64 0.32 0.00 8.23 0.23 -1.26 -1.35 119.30 120.83 3sc2 s MET 16 Ca 0.49 -0.45 -0.00 0.00 -1.03 0.00 0.00 55.69 54.70 3sc2 s MET 16 Cb -0.10 -0.11 -0.00 0.00 -1.53 0.00 0.00 34.83 33.09 3sc2 s MET 16 CO 0.40 0.01 -0.00 0.71 -2.03 0.00 0.00 175.02 174.11 3sc2 s TYR 17 N -0.90 0.02 -0.07 3.16 1.51 -0.26 -1.70 117.35 119.10 3sc2 s TYR 17 Ca -0.08 -0.03 -0.14 0.00 -1.01 0.00 0.00 57.07 55.81 3sc2 s TYR 17 Cb -0.07 -0.01 0.03 0.00 -0.11 0.00 0.00 41.96 41.80 3sc2 s TYR 17 CO -0.00 -0.01 0.33 -1.54 -1.11 0.00 0.00 175.55 173.22 3sc2 s SER 18 N -0.10 -0.28 0.00 2.29 1.04 -0.43 0.42 113.70 116.64 3sc2 s SER 18 Ca -0.01 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.83 3sc2 s SER 18 Cb -0.01 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3sc2 s SER 18 CO -0.00 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.55 3sc2 n GLY 19 N 2.10 -1.18 3.51 7.32 0.00 -1.16 -4.67 105.19 111.10 3sc2 n GLY 19 Ca -0.17 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.58 3sc2 n GLY 19 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3sc2 s TYR 20 N -3.00 2.55 -0.08 1.61 1.51 -1.26 -1.37 117.35 117.31 3sc2 s TYR 20 Ca 0.00 -0.25 0.02 0.00 -1.01 0.00 0.00 57.07 55.83 3sc2 s TYR 20 Cb 0.00 -1.31 0.01 0.00 -0.11 0.00 0.00 41.96 40.56 3sc2 s TYR 20 CO 0.00 0.45 -0.15 0.42 -1.11 0.00 0.00 175.55 175.16 3sc2 s ILE 21 N -1.40 1.36 -0.33 2.71 -1.09 -0.20 -4.97 121.20 117.27 3sc2 s ILE 21 Ca 0.21 -0.60 -0.23 0.00 -2.23 0.00 0.00 60.65 57.80 3sc2 s ILE 21 Cb -0.10 -1.23 0.00 0.00 -1.58 0.00 0.00 42.46 39.56 3sc2 s ILE 21 CO 0.12 0.41 0.75 -0.89 -1.23 0.00 0.00 174.94 174.10 3sc2 s THR 22 N 0.70 4.80 -1.37 2.92 2.01 -1.26 -1.41 115.64 122.04 3sc2 s THR 22 Ca -0.13 1.00 0.23 0.00 0.31 0.00 0.00 61.69 63.10 3sc2 s THR 22 Cb -0.16 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 3sc2 s THR 22 CO 0.03 -0.30 1.19 1.33 -0.69 0.00 0.00 174.62 176.18 3sc2 n VAL 23 N 5.60 0.00 -3.24 3.82 0.24 -0.14 -4.79 118.33 119.82 3sc2 n VAL 23 Ca 0.02 -0.08 -0.04 0.00 -2.04 0.00 0.00 64.34 62.21 3sc2 n VAL 23 Cb 0.48 0.76 -0.03 0.00 -1.47 0.00 0.00 33.84 33.58 3sc2 n VAL 23 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3sc2 s ASP 23 N -2.80 -0.55 0.30 -1.34 2.15 -1.03 -4.92 116.67 108.49 3sc2 s ASP 23 Ca 0.14 -0.44 0.12 0.00 0.43 0.00 0.00 52.55 52.80 3sc2 s ASP 23 Cb 0.17 1.51 0.43 0.00 -0.30 0.00 0.00 42.92 44.73 3sc2 s ASP 23 CO 0.70 -0.29 1.65 -0.33 -0.17 0.00 0.00 175.17 176.73 3sc2 h GLU 24 N 7.74 0.00 0.56 4.34 5.08 -1.86 0.84 114.58 131.27 3sc2 h GLU 24 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3sc2 h GLU 24 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3sc2 h GLU 24 CO 0.19 0.56 -0.28 0.78 -1.00 0.00 0.00 179.01 179.26 3sc2 h GLY 25 N 1.83 -0.83 2.00 -3.84 0.00 -1.98 -3.19 103.07 97.07 3sc2 h GLY 25 Ca -0.01 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3sc2 h GLY 25 CO 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 176.54 176.32 3sc2 h ALA 26 N -1.62 1.00 -2.30 3.60 0.00 -1.98 -3.47 119.26 114.49 3sc2 h ALA 26 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3sc2 h ALA 26 Cb 0.59 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.42 3sc2 h ALA 26 CO 0.12 0.00 -0.19 0.41 0.00 0.00 0.00 179.25 179.59 3sc2 n GLY 27 N 0.37 0.50 3.57 0.00 0.00 0.28 -2.57 105.19 107.34 3sc2 n GLY 27 Ca 0.02 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 3sc2 n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3sc2 s ARG 28 N -5.32 3.70 -0.12 1.61 0.52 -0.22 -1.15 118.95 117.98 3sc2 s ARG 28 Ca 0.16 0.01 0.01 0.00 -0.52 0.00 0.00 55.73 55.38 3sc2 s ARG 28 Cb -0.07 -3.79 0.02 0.00 0.52 0.00 0.00 34.95 31.63 3sc2 s ARG 28 CO 0.20 -0.65 -0.13 0.45 0.02 0.00 0.00 175.30 175.19 3sc2 s SER 29 N 1.75 2.42 -0.06 0.23 0.15 -0.55 -0.96 113.70 116.67 3sc2 s SER 29 Ca 0.22 -0.41 -0.13 0.00 0.70 0.00 0.00 55.95 56.33 3sc2 s SER 29 Cb -0.15 -1.05 -0.05 0.00 -1.71 0.00 0.00 66.02 63.06 3sc2 s SER 29 CO 0.13 -0.04 0.32 -0.76 1.20 0.00 0.00 173.24 174.10 3sc2 s LEU 30 N 1.30 4.41 -0.02 3.45 1.43 -0.50 -2.15 118.68 126.59 3sc2 s LEU 30 Ca -0.01 0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 53.69 3sc2 s LEU 30 Cb -0.14 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.61 3sc2 s LEU 30 CO -0.06 0.30 0.46 0.12 0.23 0.00 0.00 176.35 177.40 3sc2 s PHE 31 N -0.77 3.68 0.28 0.29 5.36 -1.26 -1.03 117.98 124.53 3sc2 s PHE 31 Ca 0.20 1.01 0.08 0.00 -0.96 0.00 0.00 56.93 57.26 3sc2 s PHE 31 Cb -0.15 -2.40 -0.06 0.00 -0.34 0.00 0.00 43.02 40.07 3sc2 s PHE 31 CO 0.09 0.49 -0.08 1.52 -1.46 0.00 0.00 175.22 175.78 3sc2 s TYR 32 N -0.57 2.03 -0.08 10.12 1.13 -0.47 -1.89 117.35 127.61 3sc2 s TYR 32 Ca 0.25 -0.63 -0.03 0.00 -1.41 0.00 0.00 57.07 55.25 3sc2 s TYR 32 Cb -0.17 -1.12 0.04 0.00 -1.10 0.00 0.00 41.96 39.61 3sc2 s TYR 32 CO 0.13 0.37 0.08 -1.17 -2.51 0.00 0.00 175.55 172.45 3sc2 s LEU 33 N -3.46 0.15 -0.21 -3.49 2.96 -0.47 -3.01 118.68 111.14 3sc2 s LEU 33 Ca 0.29 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 54.13 3sc2 s LEU 33 Cb 0.02 -0.10 -0.01 0.00 0.50 0.00 0.00 46.19 46.61 3sc2 s LEU 33 CO 0.12 -0.27 -0.04 -0.22 -1.32 0.00 0.00 176.35 174.62 3sc2 s LEU 34 N 2.18 2.94 -0.36 -0.68 2.96 0.17 -0.14 118.68 125.75 3sc2 s LEU 34 Ca 0.04 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 3sc2 s LEU 34 Cb -0.13 -1.75 0.07 0.00 0.50 0.00 0.00 46.19 44.88 3sc2 s LEU 34 CO -0.05 -0.00 0.12 -1.10 -1.32 0.00 0.00 176.35 174.00 3sc2 s GLN 35 N 1.37 2.36 0.71 1.98 -0.21 -0.23 -1.10 119.66 124.53 3sc2 s GLN 35 Ca 0.04 -1.44 -0.10 0.00 0.02 0.00 0.00 55.36 53.88 3sc2 s GLN 35 Cb -0.14 -3.44 0.04 0.00 1.00 0.00 0.00 33.01 30.47 3sc2 s GLN 35 CO -0.02 -0.81 1.08 -1.21 -2.12 0.00 0.00 175.29 172.20 3sc2 s GLU 36 N 1.27 2.55 0.61 2.91 2.02 -0.45 -1.79 118.70 125.82 3sc2 s GLU 36 Ca 0.01 0.20 -0.07 0.00 0.02 0.00 0.00 54.97 55.13 3sc2 s GLU 36 Cb -0.21 -2.06 0.01 0.00 0.10 0.00 0.00 34.13 31.96 3sc2 s GLU 36 CO -0.01 -1.15 0.94 0.00 0.02 0.00 0.00 175.26 175.07 3sc2 s ALA 37 N -3.34 3.21 0.46 5.21 0.00 -1.24 -4.50 121.76 121.55 3sc2 s ALA 37 Ca 0.59 -0.60 -0.24 0.00 0.00 0.00 0.00 51.96 51.71 3sc2 s ALA 37 Cb -0.11 -2.71 -0.07 0.00 0.00 0.00 0.00 23.12 20.23 3sc2 s ALA 37 CO 0.49 -0.86 1.23 -1.25 0.00 0.00 0.00 175.76 175.36 3sc2 s PRO 38 N -5.07 3.73 0.34 0.00 0.04 -1.26 -4.64 135.00 128.13 3sc2 s PRO 38 Ca 0.55 1.94 0.12 0.00 0.04 0.00 0.00 61.00 63.65 3sc2 s PRO 38 Cb -0.11 -2.48 1.05 0.00 0.04 0.00 0.00 34.50 33.00 3sc2 s PRO 38 CO 0.47 -0.62 1.62 0.93 0.04 0.00 0.00 177.00 179.44 3sc2 h GLU 39 N 2.14 0.16 0.00 4.56 5.08 -1.97 1.34 114.58 125.90 3sc2 h GLU 39 Ca -0.50 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 3sc2 h GLU 39 Cb 1.25 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 3sc2 h GLU 39 CO 0.60 0.11 -0.05 0.38 -1.00 0.00 0.00 179.01 179.05 3sc2 h ASP 40 N 0.17 0.00 0.45 1.42 2.03 -1.95 -1.25 116.42 117.29 3sc2 h ASP 40 Ca 0.72 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 57.02 3sc2 h ASP 40 Cb 1.68 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.18 3sc2 h ASP 40 CO -0.70 0.05 -0.44 0.00 -1.03 0.00 0.00 179.24 177.12 3sc2 n ALA 41 N -2.15 3.42 -1.74 4.15 0.00 0.46 -4.94 120.51 119.71 3sc2 n ALA 41 Ca -0.01 -0.36 -0.31 0.00 0.00 0.00 0.00 53.44 52.76 3sc2 n ALA 41 Cb 0.24 -1.13 0.02 0.00 0.00 0.00 0.00 19.45 18.58 3sc2 n ALA 41 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3sc2 s GLN 42 N -2.89 3.36 -0.21 0.00 -1.52 -0.47 -3.45 119.66 114.48 3sc2 s GLN 42 Ca 0.14 0.86 -0.21 0.00 -1.95 0.00 0.00 55.36 54.20 3sc2 s GLN 42 Cb 0.18 -2.05 -0.02 0.00 -0.22 0.00 0.00 33.01 30.90 3sc2 s GLN 42 CO 0.66 -0.76 0.67 -1.25 -0.25 0.00 0.00 175.29 174.35 3sc2 s PRO 43 N -5.00 4.19 0.53 2.91 0.04 -1.26 -5.06 135.00 131.36 3sc2 s PRO 43 Ca 0.57 0.67 -0.03 0.00 0.04 0.00 0.00 61.00 62.25 3sc2 s PRO 43 Cb -0.12 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.82 3sc2 s PRO 43 CO 0.52 -0.31 0.79 0.00 0.04 0.00 0.00 177.00 178.04 3sc2 s ALA 44 N 2.16 3.53 0.83 8.56 0.00 -1.22 -5.08 121.76 130.53 3sc2 s ALA 44 Ca 0.30 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 3sc2 s ALA 44 Cb -0.16 -2.37 0.09 0.00 0.00 0.00 0.00 23.12 20.68 3sc2 s ALA 44 CO 0.10 -0.61 1.09 -1.25 0.00 0.00 0.00 175.76 175.09 3sc2 s PRO 45 N -4.79 1.81 -0.21 0.00 0.04 -1.26 -4.67 135.00 125.93 3sc2 s PRO 45 Ca 0.52 0.76 -0.07 0.00 0.04 0.00 0.00 61.00 62.25 3sc2 s PRO 45 Cb -0.10 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 3sc2 s PRO 45 CO 0.42 -1.84 0.05 -1.17 0.04 0.00 0.00 177.00 174.50 3sc2 s LEU 46 N -5.95 3.52 -0.19 -3.56 2.96 -0.81 -0.26 118.68 114.39 3sc2 s LEU 46 Ca 0.62 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 54.43 3sc2 s LEU 46 Cb -0.16 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.65 3sc2 s LEU 46 CO 0.55 0.06 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.78 3sc2 s VAL 47 N 1.02 1.99 -0.24 1.68 1.01 0.19 -1.71 120.40 124.35 3sc2 s VAL 47 Ca 0.03 -0.98 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 3sc2 s VAL 47 Cb -0.14 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 3sc2 s VAL 47 CO 0.03 0.45 0.68 -0.22 0.00 0.00 0.00 175.10 176.04 3sc2 s LEU 48 N 1.30 4.08 -0.18 3.92 2.96 -0.45 0.28 118.68 130.60 3sc2 s LEU 48 Ca 0.03 0.82 -0.04 0.00 -0.22 0.00 0.00 54.13 54.72 3sc2 s LEU 48 Cb -0.14 -2.95 -0.03 0.00 0.50 0.00 0.00 46.19 43.57 3sc2 s LEU 48 CO -0.12 -0.39 -0.02 0.86 -1.32 0.00 0.00 176.35 175.36 3sc2 s TRP 49 N 2.48 3.03 -0.08 5.38 -0.11 -0.01 0.28 118.94 129.92 3sc2 s TRP 49 Ca 0.29 -0.37 0.04 0.00 1.22 0.00 0.00 56.10 57.28 3sc2 s TRP 49 Cb -0.16 -2.02 -0.00 0.00 -1.50 0.00 0.00 33.47 29.80 3sc2 s TRP 49 CO 0.09 -0.13 -0.23 -0.51 -4.62 0.00 0.00 176.95 171.55 3sc2 s LEU 50 N 0.65 2.04 0.58 5.86 1.43 0.13 -3.40 118.68 125.98 3sc2 s LEU 50 Ca -0.01 -0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 52.54 3sc2 s LEU 50 Cb -0.14 -1.34 0.03 0.00 0.03 0.00 0.00 46.19 44.77 3sc2 s LEU 50 CO 0.02 0.17 0.85 0.20 0.23 0.00 0.00 176.35 177.82 3sc2 s ASN 51 N 0.22 5.29 0.00 2.29 -0.87 -1.26 -2.77 114.94 117.84 3sc2 s ASN 51 Ca -0.14 0.29 0.00 0.00 -1.57 0.00 0.00 52.86 51.44 3sc2 s ASN 51 Cb -0.16 -1.19 0.00 0.00 -0.02 0.00 0.00 41.25 39.88 3sc2 s ASN 51 CO 0.07 -1.19 0.00 0.61 -2.57 0.00 0.00 177.10 174.02 3sc2 n GLY 52 N -2.50 0.61 0.00 0.66 0.00 -1.22 -4.39 105.19 98.35 3sc2 n GLY 52 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3sc2 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sc2 n GLY 53 N 5.00 1.92 3.74 -0.02 0.00 -1.26 -1.59 105.19 112.99 3sc2 n GLY 53 Ca 0.00 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 3sc2 n GLY 53 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3sc2 s PRO 54 N 0.00 2.60 0.00 1.61 0.04 -1.26 -4.75 135.00 133.24 3sc2 s PRO 54 Ca 0.00 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.84 3sc2 s PRO 54 Cb 0.00 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3sc2 s PRO 54 CO 0.00 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 175.96 3sc2 n GLY 55 N 0.45 0.90 3.88 0.56 0.00 -1.14 -5.11 105.19 104.72 3sc2 n GLY 55 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3sc2 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3sc2 s SER 57 N -2.03 7.07 0.56 0.00 0.15 -1.26 -4.52 113.70 113.67 3sc2 s SER 57 Ca 0.37 1.31 0.25 0.00 0.70 0.00 0.00 55.95 58.58 3sc2 s SER 57 Cb -0.13 -2.50 1.61 0.00 -1.71 0.00 0.00 66.02 63.29 3sc2 s SER 57 CO 0.20 -0.44 2.20 0.28 1.20 0.00 0.00 173.24 176.69 3sc2 h SER 58 N 7.26 0.00 0.04 5.45 0.02 -1.89 0.10 113.55 124.52 3sc2 h SER 58 Ca -0.29 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.58 3sc2 h SER 58 Cb 1.13 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.68 3sc2 h SER 58 CO 0.86 0.02 -0.34 0.58 -1.14 0.00 0.00 176.83 176.80 3sc2 h VAL 58 N 0.00 1.61 -0.52 2.27 2.07 -1.89 -0.49 116.25 119.31 3sc2 h VAL 58 Ca -0.00 -2.25 0.07 0.00 0.82 0.00 0.00 66.70 65.34 3sc2 h VAL 58 Cb 0.04 3.09 -0.06 0.00 -1.52 0.00 0.00 31.29 32.85 3sc2 h VAL 58 CO 0.00 0.61 0.19 0.00 0.02 0.00 0.00 177.57 178.40 3sc2 h ALA 59 N 0.13 0.64 0.00 1.67 0.00 -1.86 -2.25 119.26 117.58 3sc2 h ALA 59 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3sc2 h ALA 59 Cb 1.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3sc2 h ALA 59 CO 0.07 -0.20 -0.07 0.66 0.00 0.00 0.00 179.25 179.71 3sc2 n TYR 60 N -4.99 0.02 -0.19 0.00 4.01 -0.02 -3.96 117.16 112.03 3sc2 n TYR 60 Ca 0.06 0.01 -0.04 0.00 -0.16 0.00 0.00 57.90 57.77 3sc2 n TYR 60 Cb 0.21 -0.09 0.03 0.00 -0.31 0.00 0.00 39.34 39.17 3sc2 n TYR 60 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3sc2 h GLY 61 N -0.08 0.10 1.75 2.72 0.00 -1.31 -0.92 103.07 105.34 3sc2 h GLY 61 Ca 0.00 0.34 -0.24 0.00 0.00 0.00 0.00 47.33 47.43 3sc2 h GLY 61 CO 0.00 -0.23 -1.10 0.00 0.00 0.00 0.00 176.54 175.22 3sc2 h ALA 62 N 1.22 0.25 0.00 3.60 0.00 -1.26 -0.84 119.26 122.23 3sc2 h ALA 62 Ca 0.25 -0.85 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 3sc2 h ALA 62 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3sc2 h ALA 62 CO -0.65 1.02 -2.01 0.43 0.00 0.00 0.00 179.25 178.04 3sc2 n SER 63 N -3.52 0.22 -0.26 0.00 7.64 -0.85 -3.61 113.62 113.24 3sc2 n SER 63 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 3sc2 n SER 63 Cb 0.95 1.80 0.00 0.00 -1.01 0.00 0.00 64.21 65.95 3sc2 n SER 63 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3sc2 n GLU 64 N -2.30 0.00 0.00 1.43 0.28 -0.39 -4.12 120.64 115.54 3sc2 n GLU 64 Ca -0.08 -0.75 0.00 0.00 -0.16 0.00 0.00 57.16 56.17 3sc2 n GLU 64 Cb 0.64 -0.50 0.00 0.00 1.43 0.00 0.00 31.44 33.01 3sc2 n GLU 64 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3sc2 n GLU 65 N 0.00 0.00 0.00 3.44 1.02 -0.96 -4.99 120.64 119.15 3sc2 n GLU 65 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 3sc2 n GLU 65 Cb 0.60 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 32.14 3sc2 n GLU 65 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 3sc2 n LEU 66 N 0.00 0.74 -4.58 -4.62 -0.00 -0.42 -4.93 117.00 103.19 3sc2 n LEU 66 Ca 0.00 -0.21 -0.29 0.00 -0.00 0.00 0.00 56.01 55.51 3sc2 n LEU 66 Cb 0.00 -0.15 0.21 0.00 -0.00 0.00 0.00 43.42 43.48 3sc2 n LEU 66 CO 0.00 0.18 0.59 -0.83 -0.00 0.00 0.00 177.39 177.33 3sc2 s GLY 67 N -2.97 1.60 0.50 1.47 0.00 -0.61 -1.11 107.32 106.20 3sc2 s GLY 67 Ca 0.11 0.11 0.15 0.00 0.00 0.00 0.00 44.72 45.10 3sc2 s GLY 67 CO 0.75 0.71 2.11 0.00 0.00 0.00 0.00 173.10 176.67 3sc2 h ALA 68 N -2.24 1.93 -2.46 3.20 0.00 -1.92 -3.42 119.26 114.34 3sc2 h ALA 68 Ca -0.54 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.04 3sc2 h ALA 68 Cb 1.31 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.92 3sc2 h ALA 68 CO 0.48 0.05 -0.72 -0.06 0.00 0.00 0.00 179.25 179.01 3sc2 s PHE 69 N -4.99 1.07 -0.08 0.00 0.08 -1.26 0.13 117.98 112.94 3sc2 s PHE 69 Ca -0.05 -0.75 0.02 0.00 0.12 0.00 0.00 56.93 56.27 3sc2 s PHE 69 Cb 0.17 -0.58 -0.02 0.00 -0.57 0.00 0.00 43.02 42.02 3sc2 s PHE 69 CO 0.68 -0.02 -0.13 1.03 -0.10 0.00 0.00 175.22 176.69 3sc2 s ARG 70 N -3.32 2.80 0.29 0.44 1.81 0.13 -4.41 118.95 116.69 3sc2 s ARG 70 Ca 0.10 -0.67 -0.28 0.00 -1.72 0.00 0.00 55.73 53.17 3sc2 s ARG 70 Cb 0.01 -2.49 -0.09 0.00 -0.45 0.00 0.00 34.95 31.92 3sc2 s ARG 70 CO -0.01 0.51 0.98 0.08 -0.68 0.00 0.00 175.30 176.18 3sc2 s VAL 71 N -0.43 3.98 0.40 3.52 1.01 -1.26 0.45 120.40 128.07 3sc2 s VAL 71 Ca 0.05 1.82 -0.13 0.00 0.00 0.00 0.00 61.98 63.72 3sc2 s VAL 71 Cb -0.12 -4.09 -0.08 0.00 0.00 0.00 0.00 36.38 32.09 3sc2 s VAL 71 CO 0.02 0.31 0.81 -0.54 0.00 0.00 0.00 175.10 175.69 3sc2 s LYS 72 N -1.65 3.90 0.36 2.72 1.02 0.73 -4.91 119.74 121.91 3sc2 s LYS 72 Ca 0.46 0.64 -0.26 0.00 0.02 0.00 0.00 55.97 56.83 3sc2 s LYS 72 Cb -0.24 -2.35 -0.12 0.00 -0.52 0.00 0.00 37.83 34.60 3sc2 s LYS 72 CO 0.30 -0.02 1.05 -2.30 -0.92 0.00 0.00 175.35 173.46 3sc2 n PRO 73 N -1.04 1.47 -0.71 -1.68 -0.02 -1.26 0.11 135.00 131.87 3sc2 n PRO 73 Ca 0.04 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3sc2 n PRO 73 Cb 0.54 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3sc2 n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3sc2 n ALA 74 N -0.08 0.00 -3.09 3.55 0.00 -1.26 -3.21 120.51 116.42 3sc2 n ALA 74 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.36 3sc2 n ALA 74 Cb 0.36 -0.26 0.04 0.00 0.00 0.00 0.00 19.45 19.59 3sc2 n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3sc2 n GLY 75 N -2.00 -0.13 0.09 0.00 0.00 0.29 -4.93 105.19 98.51 3sc2 n GLY 75 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.08 3sc2 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3sc2 n ALA 76 N -3.79 2.57 0.00 4.61 0.00 -1.20 -4.91 120.51 117.79 3sc2 n ALA 76 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3sc2 n ALA 76 Cb 0.56 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3sc2 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3sc2 n GLY 76 N 1.32 -1.67 3.47 0.00 0.00 -1.26 -4.77 105.19 102.29 3sc2 n GLY 76 Ca 0.05 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 3sc2 n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3sc2 s LEU 77 N 0.00 2.63 0.10 0.99 1.43 -1.06 -0.19 118.68 122.58 3sc2 s LEU 77 Ca 0.00 -0.68 0.07 0.00 -1.03 0.00 0.00 54.13 52.49 3sc2 s LEU 77 Cb 0.00 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 3sc2 s LEU 77 CO 0.00 0.14 -0.18 0.54 0.23 0.00 0.00 176.35 177.08 3sc2 s VAL 78 N -1.42 1.49 0.24 -1.59 0.11 0.17 -4.43 120.40 114.98 3sc2 s VAL 78 Ca 0.20 -1.50 -0.30 0.00 -2.93 0.00 0.00 61.98 57.45 3sc2 s VAL 78 Cb -0.09 -1.42 -0.09 0.00 -1.53 0.00 0.00 36.38 33.25 3sc2 s VAL 78 CO 0.11 -0.16 1.03 -0.22 -3.33 0.00 0.00 175.10 172.53 3sc2 s LEU 79 N -1.95 4.58 -0.45 2.54 2.96 -1.26 0.17 118.68 125.27 3sc2 s LEU 79 Ca 0.04 2.09 -0.24 0.00 -0.22 0.00 0.00 54.13 55.81 3sc2 s LEU 79 Cb -0.09 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 43.01 3sc2 s LEU 79 CO 0.04 -0.03 0.85 0.21 -1.32 0.00 0.00 176.35 176.10 3sc2 s ASN 80 N -0.83 6.46 0.60 3.68 2.47 0.12 -4.78 114.94 122.67 3sc2 s ASN 80 Ca 0.44 0.03 0.34 0.00 0.42 0.00 0.00 52.86 54.08 3sc2 s ASN 80 Cb -0.29 -2.42 1.95 0.00 -1.45 0.00 0.00 41.25 39.04 3sc2 s ASN 80 CO 0.36 -0.97 2.27 -0.08 -3.72 0.00 0.00 177.10 174.96 3sc2 h GLU 81 N 9.00 0.00 -0.21 0.43 4.81 -1.94 -2.54 114.58 124.14 3sc2 h GLU 81 Ca -0.24 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 3sc2 h GLU 81 Cb 1.08 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 3sc2 h GLU 81 CO 0.99 0.01 -0.06 0.66 -0.73 0.00 0.00 179.01 179.89 3sc2 n TYR 82 N -3.61 0.70 -1.73 0.92 4.01 -1.26 -5.04 117.16 111.15 3sc2 n TYR 82 Ca -0.03 -1.15 -0.42 0.00 -0.16 0.00 0.00 57.90 56.15 3sc2 n TYR 82 Cb 0.10 -0.32 -0.00 0.00 -0.31 0.00 0.00 39.34 38.80 3sc2 n TYR 82 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 3sc2 n ARG 83 N -0.94 2.32 0.26 -0.72 1.85 -0.96 -4.91 116.66 113.56 3sc2 n ARG 83 Ca 0.23 0.81 0.14 0.00 -1.00 0.00 0.00 57.85 58.03 3sc2 n ARG 83 Cb 0.86 -2.45 0.62 0.00 -1.05 0.00 0.00 32.46 30.44 3sc2 n ARG 83 CO 0.00 0.00 0.00 -1.49 -0.01 0.00 0.00 177.63 176.13 3sc2 h TRP 84 N 2.68 0.00 0.00 2.89 4.06 -1.40 -3.10 115.95 121.09 3sc2 h TRP 84 Ca -0.48 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.47 3sc2 h TRP 84 Cb 1.27 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.43 3sc2 h TRP 84 CO 0.51 0.11 0.00 0.27 -3.56 0.00 0.00 178.44 175.77 3sc2 n ASN 85 N -3.28 0.12 0.11 -3.49 6.94 -1.26 -2.09 115.26 112.31 3sc2 n ASN 85 Ca -0.00 -1.12 -0.04 0.00 -0.02 0.00 0.00 54.58 53.40 3sc2 n ASN 85 Cb 0.34 -0.06 0.07 0.00 -2.36 0.00 0.00 39.78 37.77 3sc2 n ASN 85 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 3sc2 h LYS 86 N 0.09 0.04 0.00 -3.83 1.57 -1.87 -3.28 116.57 109.29 3sc2 h LYS 86 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3sc2 h LYS 86 Cb 0.06 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3sc2 h LYS 86 CO 0.00 0.76 -0.27 1.33 -0.57 0.00 0.00 179.45 180.70 3sc2 n VAL 87 N -3.68 0.00 -3.92 0.50 0.24 -0.89 -4.70 118.33 105.88 3sc2 n VAL 87 Ca -0.01 -0.38 -0.10 0.00 -2.04 0.00 0.00 64.34 61.81 3sc2 n VAL 87 Cb 0.72 0.89 -0.06 0.00 -1.47 0.00 0.00 33.84 33.92 3sc2 n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3sc2 s ALA 88 N -1.33 -0.21 -0.31 2.33 0.00 -1.11 -4.49 121.76 116.64 3sc2 s ALA 88 Ca 0.00 -0.76 -0.20 0.00 0.00 0.00 0.00 51.96 51.00 3sc2 s ALA 88 Cb 0.01 0.90 -0.01 0.00 0.00 0.00 0.00 23.12 24.03 3sc2 s ALA 88 CO 0.06 -0.71 0.63 -0.80 0.00 0.00 0.00 175.76 174.95 3sc2 s ASN 89 N -2.96 6.49 -0.25 0.00 0.01 0.65 -3.68 114.94 115.20 3sc2 s ASN 89 Ca 0.17 0.39 -0.09 0.00 -0.71 0.00 0.00 52.86 52.62 3sc2 s ASN 89 Cb 0.02 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.31 3sc2 s ASN 89 CO 0.01 -0.50 0.12 -0.69 -1.51 0.00 0.00 177.10 174.53 3sc2 s VAL 90 N 2.63 4.81 -0.21 1.60 1.01 -0.74 0.56 120.40 130.06 3sc2 s VAL 90 Ca 0.25 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 3sc2 s VAL 90 Cb -0.15 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 3sc2 s VAL 90 CO 0.12 0.33 -0.06 -0.22 0.00 0.00 0.00 175.10 175.27 3sc2 s LEU 91 N 1.42 2.87 -0.28 3.92 2.96 0.14 -1.07 118.68 128.65 3sc2 s LEU 91 Ca 0.06 -0.38 -0.09 0.00 -0.22 0.00 0.00 54.13 53.50 3sc2 s LEU 91 Cb -0.15 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 3sc2 s LEU 91 CO 0.06 0.01 0.13 -0.36 -1.32 0.00 0.00 176.35 174.87 3sc2 s PHE 92 N 1.29 3.15 -0.21 5.38 0.08 0.80 -0.83 117.98 127.65 3sc2 s PHE 92 Ca 0.03 -0.28 -0.05 0.00 0.12 0.00 0.00 56.93 56.75 3sc2 s PHE 92 Cb -0.14 -2.32 -0.02 0.00 -0.57 0.00 0.00 43.02 39.97 3sc2 s PHE 92 CO -0.02 -0.32 0.00 -1.17 -0.10 0.00 0.00 175.22 173.61 3sc2 s LEU 93 N 1.66 3.24 -0.38 -0.37 2.96 -1.22 -1.36 118.68 123.21 3sc2 s LEU 93 Ca 0.06 -0.22 -0.29 0.00 -0.22 0.00 0.00 54.13 53.46 3sc2 s LEU 93 Cb -0.16 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.72 3sc2 s LEU 93 CO 0.07 0.04 1.07 -1.81 -1.32 0.00 0.00 176.35 174.40 3sc2 s ASP 94 N 1.13 6.79 -0.17 3.68 1.01 -0.79 -4.25 116.67 124.07 3sc2 s ASP 94 Ca 0.03 0.78 -0.18 0.00 0.71 0.00 0.00 52.55 53.89 3sc2 s ASP 94 Cb -0.14 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.30 3sc2 s ASP 94 CO 0.01 -1.01 0.49 -0.55 0.21 0.00 0.00 175.17 174.33 3sc2 s SER 95 N 1.96 -0.50 0.82 0.27 0.15 -1.26 -4.39 113.70 110.75 3sc2 s SER 95 Ca 0.45 0.92 -0.03 0.00 0.70 0.00 0.00 55.95 58.00 3sc2 s SER 95 Cb -0.10 0.94 0.05 0.00 -1.71 0.00 0.00 66.02 65.19 3sc2 s SER 95 CO 0.21 -0.21 0.30 -0.81 1.20 0.00 0.00 173.24 173.93 3sc2 n PRO 96 N 2.62 -0.06 -1.68 5.44 -0.04 -1.26 -4.70 135.00 135.32 3sc2 n PRO 96 Ca -0.14 -0.56 -0.46 0.00 -0.04 0.00 0.00 63.50 62.30 3sc2 n PRO 96 Cb 0.57 -0.28 -0.04 0.00 -0.04 0.00 0.00 33.50 33.71 3sc2 n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3sc2 n ALA 97 N -3.13 1.43 0.00 0.55 0.00 -1.26 -1.57 120.51 116.53 3sc2 n ALA 97 Ca -0.05 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3sc2 n ALA 97 Cb 0.14 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.13 3sc2 n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3sc2 n GLY 98 N 3.93 0.82 3.61 0.00 0.00 -0.86 -4.77 105.19 107.93 3sc2 n GLY 98 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3sc2 n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3sc2 s VAL 99 N -2.00 4.44 0.00 1.61 1.01 -0.61 -4.92 120.40 119.94 3sc2 s VAL 99 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3sc2 s VAL 99 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.42 3sc2 s VAL 99 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3sc2 n GLY 100 N 3.18 2.71 0.17 4.51 0.00 -1.26 -1.67 105.19 112.82 3sc2 n GLY 100 Ca -0.17 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 45.67 3sc2 n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3sc2 n PHE 101 N 13.51 0.00 -2.43 1.61 3.72 -1.26 -4.87 117.46 127.73 3sc2 n PHE 101 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 3sc2 n PHE 101 Cb 0.00 -0.17 -0.04 0.00 -0.94 0.00 0.00 39.48 38.34 3sc2 n PHE 101 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3sc2 s SER 102 N -2.62 7.17 0.16 4.37 0.01 -0.67 -4.67 113.70 117.45 3sc2 s SER 102 Ca 0.22 2.19 0.00 0.00 1.31 0.00 0.00 55.95 59.66 3sc2 s SER 102 Cb 0.19 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 3sc2 s SER 102 CO 0.56 -0.29 0.05 -0.72 0.41 0.00 0.00 173.24 173.24 3sc2 s TYR 103 N -0.24 1.08 0.04 2.43 -0.85 -0.92 -2.02 117.35 116.87 3sc2 s TYR 103 Ca 0.51 -1.17 0.05 0.00 -0.52 0.00 0.00 57.07 55.93 3sc2 s TYR 103 Cb -0.31 -0.60 -0.02 0.00 0.38 0.00 0.00 41.96 41.40 3sc2 s TYR 103 CO 0.37 -0.41 -0.14 -0.08 -1.52 0.00 0.00 175.55 173.77 3sc2 s THR 104 N -3.90 1.07 -0.76 -3.49 -1.32 -1.26 -1.48 115.64 104.49 3sc2 s THR 104 Ca 0.27 -1.04 0.24 0.00 -1.21 0.00 0.00 61.69 59.95 3sc2 s THR 104 Cb 0.07 -0.99 0.01 0.00 -1.51 0.00 0.00 72.50 70.08 3sc2 s THR 104 CO 0.05 -0.06 1.31 0.59 -2.21 0.00 0.00 174.62 174.30 3sc2 n ASN 105 N 1.78 0.61 -4.28 8.08 3.02 -0.30 -4.64 115.26 119.53 3sc2 n ASN 105 Ca -0.19 -0.06 -0.45 0.00 -0.03 0.00 0.00 54.58 53.86 3sc2 n ASN 105 Cb 0.55 0.29 -0.04 0.00 -0.61 0.00 0.00 39.78 39.96 3sc2 n ASN 105 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3sc2 s THR 106 N -3.11 5.15 0.64 3.41 2.01 -1.06 -4.97 115.64 117.69 3sc2 s THR 106 Ca 0.08 -2.25 0.21 0.00 0.31 0.00 0.00 61.69 60.03 3sc2 s THR 106 Cb 0.15 -4.24 0.25 0.00 0.01 0.00 0.00 72.50 68.67 3sc2 s THR 106 CO 0.72 -0.95 1.54 -1.28 -0.69 0.00 0.00 174.62 173.96 3sc2 h SER 107 N 8.00 0.00 0.66 3.53 0.87 -1.93 0.55 113.55 125.22 3sc2 h SER 107 Ca -0.03 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.40 3sc2 h SER 107 Cb 1.05 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.99 3sc2 h SER 107 CO 0.82 0.00 -0.64 0.77 -0.53 0.00 0.00 176.83 177.26 3sc2 h SER 108 N 0.00 0.00 -0.99 6.23 4.64 -1.98 -3.26 113.55 118.20 3sc2 h SER 108 Ca 0.14 0.00 0.34 0.00 -0.47 0.00 0.00 61.79 61.81 3sc2 h SER 108 Cb 1.60 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.51 3sc2 h SER 108 CO -0.00 0.64 0.31 0.44 -0.87 0.00 0.00 176.83 177.35 3sc2 h ASP 109 N 0.00 -0.02 0.00 4.97 3.32 -0.30 -0.47 116.42 123.92 3sc2 h ASP 109 Ca -0.01 0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3sc2 h ASP 109 Cb 1.14 0.35 0.00 0.00 0.22 0.00 0.00 39.33 41.04 3sc2 h ASP 109 CO 0.08 -0.37 0.00 2.30 -1.72 0.00 0.00 179.24 179.53 3sc2 n ILE 110 N -5.34 0.00 0.35 0.35 -5.35 -1.23 -3.04 119.36 105.10 3sc2 n ILE 110 Ca 0.31 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.83 3sc2 n ILE 110 Cb 1.02 -0.41 0.01 0.00 -1.74 0.00 0.00 39.64 38.52 3sc2 n ILE 110 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3sc2 n TYR 111 N -0.89 0.00 -1.20 4.28 4.01 -0.19 -4.63 117.16 118.53 3sc2 n TYR 111 Ca 0.18 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.98 3sc2 n TYR 111 Cb 0.08 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.19 3sc2 n TYR 111 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3sc2 n THR 112 N -0.08 1.15 -1.34 -0.72 -2.24 -1.17 -5.07 114.28 104.81 3sc2 n THR 112 Ca 0.04 -1.36 -0.33 0.00 -2.27 0.00 0.00 64.05 60.13 3sc2 n THR 112 Cb 0.18 0.12 0.10 0.00 -2.10 0.00 0.00 70.33 68.63 3sc2 n THR 112 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3sc2 s SER 112 N -1.97 4.14 0.27 3.42 0.01 -1.22 -5.02 113.70 113.32 3sc2 s SER 112 Ca 0.18 2.23 -0.21 0.00 1.31 0.00 0.00 55.95 59.46 3sc2 s SER 112 Cb 0.15 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.85 3sc2 s SER 112 CO 0.02 -2.30 0.81 -0.83 0.41 0.00 0.00 173.24 171.35 3sc2 s GLY 112 N -2.34 0.01 0.28 3.44 0.00 -1.26 -5.06 107.32 102.39 3sc2 s GLY 112 Ca 0.71 -0.33 -0.02 0.00 0.00 0.00 0.00 44.72 45.07 3sc2 s GLY 112 CO 0.48 0.07 1.85 -0.55 0.00 0.00 0.00 173.10 174.95 3sc2 h ASP 112 N 2.00 0.86 -0.03 1.64 5.19 -2.00 -2.40 116.42 121.69 3sc2 h ASP 112 Ca -0.24 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.04 3sc2 h ASP 112 Cb 1.24 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 40.53 3sc2 h ASP 112 CO 0.29 0.77 -0.01 -1.13 -3.12 0.00 0.00 179.24 176.04 3sc2 h ASN 113 N 0.92 0.06 0.72 6.45 -1.24 -2.00 -2.57 115.58 117.92 3sc2 h ASN 113 Ca 0.21 -0.40 -0.10 0.00 0.71 0.00 0.00 56.30 56.72 3sc2 h ASN 113 Cb 0.19 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.21 3sc2 h ASN 113 CO -0.02 0.45 -0.49 -0.09 -1.29 0.00 0.00 177.43 175.99 3sc2 h ARG 114 N -0.33 0.00 -0.73 6.67 2.43 -1.97 -2.23 114.38 118.22 3sc2 h ARG 114 Ca 0.01 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 3sc2 h ARG 114 Cb 0.43 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3sc2 h ARG 114 CO 0.00 0.49 0.23 1.15 -1.51 0.00 0.00 179.97 180.33 3sc2 h THR 115 N 0.00 1.26 -0.17 0.20 2.02 -1.21 -1.22 112.91 113.79 3sc2 h THR 115 Ca -0.00 -0.89 -0.09 0.00 0.77 0.00 0.00 66.41 66.20 3sc2 h THR 115 Cb 0.98 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 3sc2 h THR 115 CO 0.06 0.35 -0.23 0.00 0.37 0.00 0.00 175.52 176.07 3sc2 h ALA 116 N 1.17 0.25 -0.43 6.16 0.00 -1.42 -0.79 119.26 124.21 3sc2 h ALA 116 Ca 0.24 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3sc2 h ALA 116 Cb 0.29 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3sc2 h ALA 116 CO -0.01 0.21 0.05 0.45 0.00 0.00 0.00 179.25 179.95 3sc2 h HIS 117 N 0.09 0.77 -0.47 0.00 -0.00 -1.32 -1.91 115.15 112.32 3sc2 h HIS 117 Ca 0.02 -0.12 -0.05 0.00 -0.00 0.00 0.00 60.37 60.22 3sc2 h HIS 117 Cb 0.80 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.98 3sc2 h HIS 117 CO 0.09 0.75 0.08 -0.44 -0.00 0.00 0.00 177.93 178.41 3sc2 h ASP 118 N 0.57 0.67 -0.11 2.45 5.19 -1.16 -1.94 116.42 122.09 3sc2 h ASP 118 Ca 0.13 -0.12 -0.05 0.00 -0.62 0.00 0.00 57.03 56.37 3sc2 h ASP 118 Cb 0.41 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 3sc2 h ASP 118 CO 0.01 0.69 -0.06 0.28 -3.12 0.00 0.00 179.24 177.04 3sc2 h SER 119 N 0.69 0.36 -0.02 6.45 0.02 -0.79 0.13 113.55 120.39 3sc2 h SER 119 Ca 0.15 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 3sc2 h SER 119 Cb 0.31 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3sc2 h SER 119 CO 0.00 0.47 -0.16 0.22 -1.14 0.00 0.00 176.83 176.23 3sc2 h TYR 120 N 0.37 0.20 -0.04 3.45 3.20 -0.97 -2.24 116.97 120.94 3sc2 h TYR 120 Ca 0.08 -0.09 0.04 0.00 3.14 0.00 0.00 58.73 61.89 3sc2 h TYR 120 Cb 0.34 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.53 3sc2 h TYR 120 CO 0.01 0.82 -0.32 0.00 -1.64 0.00 0.00 178.16 177.02 3sc2 h ALA 121 N 0.34 -0.44 -0.74 1.82 0.00 -1.19 -1.17 119.26 117.88 3sc2 h ALA 121 Ca -0.01 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.05 3sc2 h ALA 121 Cb 0.84 0.58 -0.13 0.00 0.00 0.00 0.00 17.79 19.08 3sc2 h ALA 121 CO 0.03 -0.82 -0.07 0.35 0.00 0.00 0.00 179.25 178.74 3sc2 h PHE 122 N -0.45 -0.18 -0.58 0.00 3.04 -0.86 -1.38 116.94 116.53 3sc2 h PHE 122 Ca 0.07 0.06 -0.06 0.00 3.98 0.00 0.00 57.97 62.02 3sc2 h PHE 122 Cb 0.56 0.20 -0.03 0.00 2.56 0.00 0.00 35.95 39.24 3sc2 h PHE 122 CO -0.37 -0.27 0.13 -0.07 -2.02 0.00 0.00 178.31 175.71 3sc2 h LEU 123 N 0.06 0.85 -0.96 0.59 3.38 -1.06 0.49 115.31 118.66 3sc2 h LEU 123 Ca 0.39 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 3sc2 h LEU 123 Cb 0.65 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3sc2 h LEU 123 CO -0.70 0.83 -0.51 0.00 0.09 0.00 0.00 178.44 178.15 3sc2 h ALA 124 N 1.27 1.13 0.00 1.53 0.00 -0.10 -2.63 119.26 120.46 3sc2 h ALA 124 Ca 0.18 -0.47 -0.24 0.00 0.00 0.00 0.00 54.91 54.39 3sc2 h ALA 124 Cb 0.33 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3sc2 h ALA 124 CO 0.00 0.64 -1.40 0.87 0.00 0.00 0.00 179.25 179.36 3sc2 h LYS 125 N 0.00 0.00 -0.76 0.00 1.57 -1.21 -3.31 116.57 112.86 3sc2 h LYS 125 Ca -0.01 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3sc2 h LYS 125 Cb 0.92 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.19 3sc2 h LYS 125 CO 0.07 0.59 0.50 2.35 -0.57 0.00 0.00 179.45 182.39 3sc2 h TRP 126 N 0.00 0.95 0.00 -1.35 7.01 -0.74 -0.31 115.95 121.51 3sc2 h TRP 126 Ca -0.18 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.83 3sc2 h TRP 126 Cb 1.84 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 28.58 3sc2 h TRP 126 CO 0.00 0.59 -0.10 0.74 -2.79 0.00 0.00 178.44 176.88 3sc2 h PHE 127 N 1.02 0.00 0.14 2.65 0.04 -1.56 0.27 116.94 119.50 3sc2 h PHE 127 Ca 0.28 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.76 3sc2 h PHE 127 Cb -0.10 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.07 3sc2 h PHE 127 CO -0.00 0.10 -1.26 0.93 -0.60 0.00 0.00 178.31 177.48 3sc2 h GLU 128 N 0.00 0.45 -0.14 1.51 4.39 -1.21 -2.90 114.58 116.68 3sc2 h GLU 128 Ca -0.00 -0.67 -0.11 0.00 0.34 0.00 0.00 59.36 58.92 3sc2 h GLU 128 Cb 0.62 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 3sc2 h GLU 128 CO 0.01 1.30 -0.40 -0.09 -1.16 0.00 0.00 179.01 178.67 3sc2 h ARG 129 N 0.17 0.31 -2.33 2.33 2.43 -0.58 -3.34 114.38 113.38 3sc2 h ARG 129 Ca -0.17 -0.15 -0.60 0.00 -0.81 0.00 0.00 59.98 58.25 3sc2 h ARG 129 Cb 1.95 -0.00 -0.42 0.00 -0.42 0.00 0.00 29.97 31.08 3sc2 h ARG 129 CO 0.22 0.67 -0.60 1.19 -1.51 0.00 0.00 179.97 179.94 3sc2 n PHE 130 N -4.03 3.52 0.25 2.20 3.01 0.03 -4.44 117.46 118.01 3sc2 n PHE 130 Ca -0.01 -4.17 0.12 0.00 1.01 0.00 0.00 57.45 54.39 3sc2 n PHE 130 Cb 0.48 -0.56 0.68 0.00 -0.01 0.00 0.00 39.48 40.06 3sc2 n PHE 130 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3sc2 h PRO 131 N 4.37 0.00 0.00 -1.08 0.13 -1.64 -1.30 132.00 132.48 3sc2 h PRO 131 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3sc2 h PRO 131 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3sc2 h PRO 131 CO 0.81 0.14 0.00 -2.39 -0.23 0.00 0.00 178.00 176.33 3sc2 n HIS 132 N -3.68 0.00 0.91 1.56 1.44 -1.26 -1.95 115.22 112.24 3sc2 n HIS 132 Ca -0.02 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.81 3sc2 n HIS 132 Cb 0.26 -0.30 0.19 0.00 0.12 0.00 0.00 29.99 30.26 3sc2 n HIS 132 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3sc2 n TYR 133 N -1.30 0.09 -1.81 -1.40 4.01 -0.49 -4.87 117.16 111.39 3sc2 n TYR 133 Ca 0.05 0.03 -0.40 0.00 -0.16 0.00 0.00 57.90 57.42 3sc2 n TYR 133 Cb 0.09 -0.30 0.02 0.00 -0.31 0.00 0.00 39.34 38.84 3sc2 n TYR 133 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3sc2 s LYS 134 N -3.04 3.65 0.00 -0.72 1.02 -0.82 -2.09 119.74 117.75 3sc2 s LYS 134 Ca 0.09 2.39 0.00 0.00 0.02 0.00 0.00 55.97 58.47 3sc2 s LYS 134 Cb 0.17 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 3sc2 s LYS 134 CO 0.73 -0.83 0.00 0.66 -0.92 0.00 0.00 175.35 174.99 3sc2 n TYR 137 N -0.25 0.00 -1.93 3.18 4.01 -0.15 -4.98 117.16 117.04 3sc2 n TYR 137 Ca 0.05 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.39 3sc2 n TYR 137 Cb 0.42 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 3sc2 n TYR 137 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3sc2 s ARG 138 N 0.00 3.96 0.16 -0.72 6.06 -0.89 -4.72 118.95 122.81 3sc2 s ARG 138 Ca 0.00 2.34 -0.32 0.00 -2.50 0.00 0.00 55.73 55.25 3sc2 s ARG 138 Cb 0.00 -2.81 -0.12 0.00 0.06 0.00 0.00 34.95 32.08 3sc2 s ARG 138 CO 0.00 -0.56 1.74 -0.25 -2.50 0.00 0.00 175.30 173.73 3sc2 n ASP 139 N 0.19 3.81 -4.32 -2.12 8.00 -1.26 -3.77 116.55 117.07 3sc2 n ASP 139 Ca 0.03 1.04 -0.30 0.00 0.71 0.00 0.00 54.79 56.27 3sc2 n ASP 139 Cb 0.42 -1.53 -0.15 0.00 -0.02 0.00 0.00 41.12 39.84 3sc2 n ASP 139 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3sc2 s PHE 140 N 1.76 2.26 0.04 1.24 5.36 0.68 -1.93 117.98 127.40 3sc2 s PHE 140 Ca 0.79 -0.41 0.03 0.00 -0.96 0.00 0.00 56.93 56.37 3sc2 s PHE 140 Cb -0.54 -1.38 -0.02 0.00 -0.34 0.00 0.00 43.02 40.73 3sc2 s PHE 140 CO 0.36 0.08 -0.09 0.71 -1.46 0.00 0.00 175.22 174.82 3sc2 s TYR 141 N -0.75 0.79 -0.04 10.12 2.02 -0.69 -0.13 117.35 128.66 3sc2 s TYR 141 Ca 0.11 -0.44 0.07 0.00 -0.37 0.00 0.00 57.07 56.44 3sc2 s TYR 141 Cb -0.10 -0.47 -0.02 0.00 -0.40 0.00 0.00 41.96 40.98 3sc2 s TYR 141 CO 0.01 -0.04 -0.25 0.42 -1.57 0.00 0.00 175.55 174.12 3sc2 s ILE 142 N -1.18 2.07 0.05 2.71 1.01 -0.63 -1.34 121.20 123.89 3sc2 s ILE 142 Ca -0.06 -1.08 -0.03 0.00 0.00 0.00 0.00 60.65 59.48 3sc2 s ILE 142 Cb -0.09 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 3sc2 s ILE 142 CO 0.01 0.58 0.02 0.00 0.00 0.00 0.00 174.94 175.54 3sc2 s ALA 143 N -0.43 0.25 -0.06 9.38 0.00 0.14 -1.47 121.76 129.57 3sc2 s ALA 143 Ca 0.04 -0.91 -0.30 0.00 0.00 0.00 0.00 51.96 50.80 3sc2 s ALA 143 Cb -0.12 0.27 0.10 0.00 0.00 0.00 0.00 23.12 23.37 3sc2 s ALA 143 CO 0.01 -0.34 1.34 0.20 0.00 0.00 0.00 175.76 176.97 3sc2 s GLY 144 N -2.50 -0.20 0.12 0.00 0.00 -0.92 0.21 107.32 104.02 3sc2 s GLY 144 Ca 0.00 0.17 0.07 0.00 0.00 0.00 0.00 44.72 44.96 3sc2 s GLY 144 CO -0.07 5.86 -0.16 1.85 0.00 0.00 0.00 173.10 180.57 3sc2 s GLU 145 N -2.02 1.07 3.28 2.90 2.12 -1.11 -0.24 118.70 124.68 3sc2 s GLU 145 Ca 0.30 -1.22 0.00 0.00 0.36 0.00 0.00 54.97 54.41 3sc2 s GLU 145 Cb 0.00 -1.09 0.00 0.00 0.26 0.00 0.00 34.13 33.31 3sc2 s GLU 145 CO -0.02 0.23 0.00 -1.13 -0.54 0.00 0.00 175.26 173.79 3sc2 n SER 146 N 0.71 0.00 0.32 -1.70 3.41 -0.43 -0.88 113.62 115.05 3sc2 n SER 146 Ca -0.17 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.64 3sc2 n SER 146 Cb 0.56 0.00 1.09 0.00 -0.26 0.00 0.00 64.21 65.59 3sc2 n SER 146 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3sc2 h TYR 147 N 0.00 0.00 0.00 7.33 3.20 -1.85 0.12 116.97 125.77 3sc2 h TYR 147 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3sc2 h TYR 147 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3sc2 h TYR 147 CO 0.00 0.00 0.00 0.00 -1.64 0.00 0.00 178.16 176.52 3sc2 n ALA 148 N -2.14 1.76 0.16 1.82 0.00 -0.06 -1.10 120.51 120.95 3sc2 n ALA 148 Ca -0.03 -0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.40 3sc2 n ALA 148 Cb 0.12 -1.08 0.26 0.00 0.00 0.00 0.00 19.45 18.75 3sc2 n ALA 148 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3sc2 h GLY 149 N 1.23 0.00 0.00 0.00 0.00 -0.96 -1.00 103.07 102.33 3sc2 h GLY 149 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3sc2 h GLY 149 CO 0.00 0.00 -0.00 0.45 0.00 0.00 0.00 176.54 176.99 3sc2 h HIS 150 N 0.00 -0.00 -0.41 5.60 -0.00 -1.25 -3.38 115.15 115.71 3sc2 h HIS 150 Ca -0.00 -0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.45 3sc2 h HIS 150 Cb 0.95 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 28.27 3sc2 h HIS 150 CO 0.00 0.30 -0.15 1.88 -0.00 0.00 0.00 177.93 179.97 3sc2 h TYR 151 N -1.00 -0.34 0.03 2.45 0.05 -1.45 -2.39 116.97 114.32 3sc2 h TYR 151 Ca -0.00 0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.83 3sc2 h TYR 151 Cb 0.30 0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 3sc2 h TYR 151 CO 0.08 -0.23 -0.08 0.28 -1.05 0.00 0.00 178.16 177.17 3sc2 h VAL 152 N -0.06 0.80 0.00 -2.88 2.07 -1.41 -0.93 116.25 113.85 3sc2 h VAL 152 Ca 0.20 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.57 3sc2 h VAL 152 Cb 0.37 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3sc2 h VAL 152 CO -0.46 0.00 -0.73 -0.65 0.02 0.00 0.00 177.57 175.75 3sc2 h PRO 153 N -0.16 0.00 -0.37 1.57 0.11 -1.73 -0.50 132.00 130.93 3sc2 h PRO 153 Ca 0.02 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.05 3sc2 h PRO 153 Cb 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 3sc2 h PRO 153 CO -0.06 0.73 -0.07 0.93 -0.21 0.00 0.00 178.00 179.32 3sc2 h GLU 154 N 0.00 0.70 -0.41 1.05 5.08 -1.32 -1.28 114.58 118.40 3sc2 h GLU 154 Ca -0.01 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 57.98 3sc2 h GLU 154 Cb 1.39 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 3sc2 h GLU 154 CO 0.10 0.85 -0.19 1.25 -1.00 0.00 0.00 179.01 180.01 3sc2 h LEU 155 N 0.50 0.87 -1.18 1.33 5.85 -1.19 -2.67 115.31 118.82 3sc2 h LEU 155 Ca 0.09 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.46 3sc2 h LEU 155 Cb 0.58 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3sc2 h LEU 155 CO 0.03 1.08 0.57 0.28 -0.34 0.00 0.00 178.44 180.06 3sc2 h SER 156 N 0.67 0.90 -0.32 1.25 0.02 -0.92 -0.91 113.55 114.24 3sc2 h SER 156 Ca 0.09 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 3sc2 h SER 156 Cb 0.75 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 3sc2 h SER 156 CO 0.06 0.61 0.15 -0.61 -1.14 0.00 0.00 176.83 175.90 3sc2 h GLN 157 N 1.04 0.31 0.81 3.45 4.15 -0.99 0.28 115.11 124.16 3sc2 h GLN 157 Ca 0.35 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.71 3sc2 h GLN 157 Cb 0.08 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 27.71 3sc2 h GLN 157 CO -0.11 0.20 -0.39 1.25 -1.93 0.00 0.00 178.83 177.85 3sc2 h LEU 158 N 0.32 -0.92 -0.58 -2.39 5.85 -1.10 -1.47 115.31 115.02 3sc2 h LEU 158 Ca 0.13 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.00 3sc2 h LEU 158 Cb 0.06 0.24 -0.11 0.00 0.37 0.00 0.00 40.66 41.22 3sc2 h LEU 158 CO -0.10 -0.65 -0.09 0.58 -0.34 0.00 0.00 178.44 177.84 3sc2 h VAL 159 N -1.11 0.46 -0.58 1.05 2.07 -1.06 -0.71 116.25 116.36 3sc2 h VAL 159 Ca -0.11 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3sc2 h VAL 159 Cb 0.84 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3sc2 h VAL 159 CO 0.18 0.01 0.31 -0.74 0.02 0.00 0.00 177.57 177.34 3sc2 h HIS 160 N 0.04 0.82 0.00 1.57 -0.00 -0.23 -2.80 115.15 114.54 3sc2 h HIS 160 Ca 0.29 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.62 3sc2 h HIS 160 Cb 0.45 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 27.60 3sc2 h HIS 160 CO -0.43 0.61 -0.03 0.00 -0.00 0.00 0.00 177.93 178.08 3sc2 h ARG 161 N 0.79 0.00 -0.12 5.26 3.08 -0.40 -3.10 114.38 119.89 3sc2 h ARG 161 Ca 0.20 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.18 3sc2 h ARG 161 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3sc2 h ARG 161 CO -0.03 0.03 -0.27 0.77 -1.07 0.00 0.00 179.97 179.39 3sc2 h SER 162 N 0.00 0.22 -0.64 7.04 0.02 -0.89 -3.47 113.55 115.83 3sc2 h SER 162 Ca -0.00 -0.07 -0.27 0.00 -0.84 0.00 0.00 61.79 60.62 3sc2 h SER 162 Cb 0.79 -0.06 -0.10 0.00 0.14 0.00 0.00 62.40 63.17 3sc2 h SER 162 CO 0.00 0.49 -0.24 0.29 -1.14 0.00 0.00 176.83 176.24 3sc2 n LYS 163 N -4.15 -1.66 -1.68 3.45 5.02 -1.17 -4.90 118.16 113.07 3sc2 n LYS 163 Ca -0.01 0.95 -0.46 0.00 -2.02 0.00 0.00 58.31 56.76 3sc2 n LYS 163 Cb 0.37 -5.36 -0.04 0.00 -0.02 0.00 0.00 35.03 29.98 3sc2 n LYS 163 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3sc2 n ASN 164 N -1.20 3.58 0.09 4.39 2.85 -1.26 -4.88 115.26 118.82 3sc2 n ASN 164 Ca -0.13 0.98 0.13 0.00 -0.11 0.00 0.00 54.58 55.45 3sc2 n ASN 164 Cb 0.61 -1.42 0.45 0.00 1.24 0.00 0.00 39.78 40.66 3sc2 n ASN 164 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3sc2 n PRO 165 N 6.17 0.20 0.00 1.20 -0.04 -1.26 -3.08 135.00 138.19 3sc2 n PRO 165 Ca 0.21 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 3sc2 n PRO 165 Cb 0.32 -1.76 0.27 0.00 -0.04 0.00 0.00 33.50 32.29 3sc2 n PRO 165 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3sc2 n VAL 166 N -2.11 0.01 -3.28 0.52 0.24 -1.26 -4.73 118.33 107.73 3sc2 n VAL 166 Ca 0.05 -0.01 -0.44 0.00 -2.04 0.00 0.00 64.34 61.90 3sc2 n VAL 166 Cb 0.37 0.19 -0.07 0.00 -1.47 0.00 0.00 33.84 32.87 3sc2 n VAL 166 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3sc2 s ILE 167 N -3.01 5.07 -1.19 1.34 1.01 -1.18 -0.98 121.20 122.27 3sc2 s ILE 167 Ca 0.11 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.80 3sc2 s ILE 167 Cb 0.17 -4.24 0.23 0.00 0.01 0.00 0.00 42.46 38.63 3sc2 s ILE 167 CO 0.69 -0.74 1.81 -3.20 0.00 0.00 0.00 174.94 173.51 3sc2 n ASN 168 N 5.64 6.30 -4.64 3.58 5.15 -1.25 -4.90 115.26 125.14 3sc2 n ASN 168 Ca -0.10 -3.30 -0.42 0.00 -0.60 0.00 0.00 54.58 50.16 3sc2 n ASN 168 Cb 0.44 -1.35 -0.03 0.00 -0.53 0.00 0.00 39.78 38.31 3sc2 n ASN 168 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3sc2 s LEU 169 N -1.92 4.07 -0.02 1.20 2.96 -1.26 -0.23 118.68 123.48 3sc2 s LEU 169 Ca 0.39 2.21 0.18 0.00 -0.22 0.00 0.00 54.13 56.69 3sc2 s LEU 169 Cb 0.11 -3.53 -0.27 0.00 0.50 0.00 0.00 46.19 43.00 3sc2 s LEU 169 CO 0.01 -1.30 0.44 0.29 -1.32 0.00 0.00 176.35 174.48 3sc2 n LYS 170 N 7.80 0.62 -3.85 1.98 4.76 0.81 -4.88 118.16 125.40 3sc2 n LYS 170 Ca 0.22 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 3sc2 n LYS 170 Cb 0.43 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 3sc2 n LYS 170 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3sc2 n GLY 171 N 1.46 -1.19 3.32 0.72 0.00 -1.23 -5.05 105.19 103.21 3sc2 n GLY 171 Ca -0.03 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 3sc2 n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3sc2 s PHE 172 N -3.00 -0.13 -0.07 1.61 -0.12 -1.26 -1.61 117.98 113.40 3sc2 s PHE 172 Ca 0.00 -0.20 -0.05 0.00 -0.05 0.00 0.00 56.93 56.63 3sc2 s PHE 172 Cb 0.00 0.22 0.03 0.00 -0.63 0.00 0.00 43.02 42.64 3sc2 s PHE 172 CO 0.00 -0.71 0.18 1.41 -0.05 0.00 0.00 175.22 176.06 3sc2 s MET 173 N -3.82 0.18 -0.07 1.99 1.75 -0.54 -4.94 119.30 113.84 3sc2 s MET 173 Ca 0.04 0.33 0.03 0.00 -1.25 0.00 0.00 55.69 54.85 3sc2 s MET 173 Cb 0.02 -0.01 0.01 0.00 2.84 0.00 0.00 34.83 37.68 3sc2 s MET 173 CO -0.10 -0.09 -0.17 0.08 -0.65 0.00 0.00 175.02 174.09 3sc2 s VAL 174 N 0.60 1.48 -0.11 10.11 1.01 -1.26 -2.17 120.40 130.05 3sc2 s VAL 174 Ca -0.04 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3sc2 s VAL 174 Cb -0.06 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 3sc2 s VAL 174 CO -0.03 0.43 -0.11 -0.83 0.00 0.00 0.00 175.10 174.56 3sc2 s GLY 175 N 0.41 1.59 -1.37 4.51 0.00 0.66 -4.75 107.32 108.37 3sc2 s GLY 175 Ca -0.13 -0.90 -0.17 0.00 0.00 0.00 0.00 44.72 43.52 3sc2 s GLY 175 CO 0.05 -0.37 0.38 0.70 0.00 0.00 0.00 173.10 173.86 3sc2 n ASN 176 N 3.07 -1.75 -4.52 1.64 4.13 -1.26 -1.31 115.26 115.26 3sc2 n ASN 176 Ca -0.18 -1.26 -0.25 0.00 1.68 0.00 0.00 54.58 54.58 3sc2 n ASN 176 Cb 0.53 -1.82 -0.11 0.00 -1.54 0.00 0.00 39.78 36.84 3sc2 n ASN 176 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3sc2 s GLY 177 N -3.95 2.15 0.21 7.41 0.00 -1.26 -2.37 107.32 109.51 3sc2 s GLY 177 Ca 0.25 -2.09 -0.30 0.00 0.00 0.00 0.00 44.72 42.58 3sc2 s GLY 177 CO 0.97 -1.97 1.39 1.08 0.00 0.00 0.00 173.10 174.58 3sc2 s LEU 178 N -3.57 4.40 0.10 0.66 1.43 -0.89 -4.91 118.68 115.91 3sc2 s LEU 178 Ca 0.33 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.94 3sc2 s LEU 178 Cb 0.05 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.66 3sc2 s LEU 178 CO 0.15 -0.63 0.00 -0.38 0.23 0.00 0.00 176.35 175.72 3sc2 n ILE 179 N 2.74 0.77 -3.64 -0.59 5.41 -1.26 -4.02 119.36 118.77 3sc2 n ILE 179 Ca 0.07 0.25 -0.14 0.00 1.00 0.00 0.00 62.75 63.94 3sc2 n ILE 179 Cb 0.41 -1.38 -0.13 0.00 -0.71 0.00 0.00 39.64 37.83 3sc2 n ILE 179 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3sc2 s ASP 180 N -5.62 0.45 0.18 4.38 -1.08 -1.26 -5.07 116.67 108.65 3sc2 s ASP 180 Ca 0.00 0.51 -0.21 0.00 -0.52 0.00 0.00 52.55 52.33 3sc2 s ASP 180 Cb 0.00 0.66 0.10 0.00 -1.46 0.00 0.00 42.92 42.22 3sc2 s ASP 180 CO 0.00 -0.25 1.60 0.44 0.52 0.00 0.00 175.17 177.48 3sc2 h ASP 181 N 8.29 -1.05 0.50 -0.34 3.32 -1.98 0.50 116.42 125.66 3sc2 h ASP 181 Ca -0.14 0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3sc2 h ASP 181 Cb 1.12 0.51 0.00 0.00 0.22 0.00 0.00 39.33 41.19 3sc2 h ASP 181 CO 0.15 -0.30 -0.25 0.22 -1.72 0.00 0.00 179.24 177.34 3sc2 h TYR 182 N -0.19 -0.65 -0.29 4.55 3.20 -1.87 -2.22 116.97 119.50 3sc2 h TYR 182 Ca 0.21 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 3sc2 h TYR 182 Cb 0.53 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 3sc2 h TYR 182 CO -0.57 -0.40 -0.05 0.45 -1.64 0.00 0.00 178.16 175.96 3sc2 h HIS 183 N -0.68 0.48 -0.28 -3.82 3.86 -1.91 -1.71 115.15 111.09 3sc2 h HIS 183 Ca -0.07 -0.05 -0.13 0.00 -1.16 0.00 0.00 60.37 58.96 3sc2 h HIS 183 Cb 0.53 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 3sc2 h HIS 183 CO -0.05 0.51 -0.35 -0.44 0.86 0.00 0.00 177.93 178.46 3sc2 h ASP 184 N 0.44 0.66 -0.08 2.45 3.32 -0.87 -1.21 116.42 121.12 3sc2 h ASP 184 Ca 0.09 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 3sc2 h ASP 184 Cb 0.36 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 3sc2 h ASP 184 CO 0.02 0.95 -0.03 1.88 -1.72 0.00 0.00 179.24 180.34 3sc2 h TYR 185 N 0.53 0.18 -0.61 4.55 0.05 -1.03 0.13 116.97 120.78 3sc2 h TYR 185 Ca 0.05 -0.04 0.04 0.00 0.05 0.00 0.00 58.73 58.84 3sc2 h TYR 185 Cb 0.85 -0.04 -0.05 0.00 1.01 0.00 0.00 36.73 38.50 3sc2 h TYR 185 CO 0.04 0.50 0.35 0.28 -1.05 0.00 0.00 178.16 178.27 3sc2 h VAL 186 N -0.18 1.01 -0.15 -2.88 2.07 -1.26 -1.93 116.25 112.92 3sc2 h VAL 186 Ca 0.02 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.17 3sc2 h VAL 186 Cb 0.44 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3sc2 h VAL 186 CO 0.01 0.12 -0.52 1.23 0.02 0.00 0.00 177.57 178.43 3sc2 h GLY 187 N 0.67 0.46 0.99 2.17 0.00 -1.17 -2.60 103.07 103.59 3sc2 h GLY 187 Ca 0.26 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3sc2 h GLY 187 CO -0.14 0.47 -0.19 -0.84 0.00 0.00 0.00 176.54 175.83 3sc2 h THR 188 N 0.33 0.61 -0.72 4.70 2.02 -0.42 -1.87 112.91 117.55 3sc2 h THR 188 Ca 0.01 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.20 3sc2 h THR 188 Cb 1.02 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 3sc2 h THR 188 CO 0.09 0.01 0.45 -0.26 0.37 0.00 0.00 175.52 176.18 3sc2 h PHE 189 N -0.56 0.85 -0.31 3.16 0.04 -1.37 -1.32 116.94 117.43 3sc2 h PHE 189 Ca -0.06 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3sc2 h PHE 189 Cb 0.42 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 3sc2 h PHE 189 CO -0.04 0.49 0.20 1.49 -0.60 0.00 0.00 178.31 179.85 3sc2 h GLU 190 N 0.89 0.42 -0.68 1.51 4.81 -1.39 -1.75 114.58 118.39 3sc2 h GLU 190 Ca 0.29 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3sc2 h GLU 190 Cb 0.01 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3sc2 h GLU 190 CO -0.11 0.29 0.43 0.35 -0.73 0.00 0.00 179.01 179.24 3sc2 h PHE 191 N 0.42 0.86 -0.07 0.92 3.57 -1.10 -1.44 116.94 120.10 3sc2 h PHE 191 Ca 0.11 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 3sc2 h PHE 191 Cb -0.04 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.41 3sc2 h PHE 191 CO -0.05 0.55 -0.04 -1.49 -2.23 0.00 0.00 178.31 175.06 3sc2 h TRP 192 N 0.92 0.16 -0.72 0.41 6.55 -0.79 -2.00 115.95 120.49 3sc2 h TRP 192 Ca 0.25 -0.04 0.01 0.00 0.95 0.00 0.00 58.89 60.05 3sc2 h TRP 192 Cb -0.08 -0.04 -0.04 0.00 -0.86 0.00 0.00 29.16 28.14 3sc2 h TRP 192 CO 0.00 0.53 0.48 2.35 -1.05 0.00 0.00 178.44 180.74 3sc2 h TRP 193 N -0.25 0.90 0.00 0.49 7.01 -1.25 -1.51 115.95 121.34 3sc2 h TRP 193 Ca 0.01 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.04 3sc2 h TRP 193 Cb 0.49 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 3sc2 h TRP 193 CO 0.07 0.56 0.00 0.09 -2.79 0.00 0.00 178.44 176.37 3sc2 n ASN 194 N -4.43 0.28 -0.75 2.65 3.02 -0.55 -2.72 115.26 112.75 3sc2 n ASN 194 Ca 0.08 0.56 0.07 0.00 -0.03 0.00 0.00 54.58 55.25 3sc2 n ASN 194 Cb 0.04 -0.62 0.20 0.00 -0.61 0.00 0.00 39.78 38.79 3sc2 n ASN 194 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3sc2 n HIS 195 N -1.79 0.67 -2.21 3.10 8.25 -0.66 -5.00 115.22 117.58 3sc2 n HIS 195 Ca 0.04 -0.65 -0.18 0.00 -0.26 0.00 0.00 57.72 56.67 3sc2 n HIS 195 Cb 0.24 -0.15 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 3sc2 n HIS 195 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3sc2 n GLY 196 N 0.11 -0.04 0.46 -1.41 0.00 -1.00 -4.93 105.19 98.37 3sc2 n GLY 196 Ca 0.16 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.14 3sc2 n GLY 196 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3sc2 n ILE 197 N -3.79 0.00 -3.93 -0.61 -5.35 -0.69 -4.94 119.36 100.06 3sc2 n ILE 197 Ca -0.21 -0.24 -0.08 0.00 -0.27 0.00 0.00 62.75 61.95 3sc2 n ILE 197 Cb 0.65 1.16 -0.08 0.00 -1.74 0.00 0.00 39.64 39.63 3sc2 n ILE 197 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 3sc2 s VAL 198 N -2.50 0.16 0.82 7.28 -7.23 -1.26 -3.81 120.40 113.86 3sc2 s VAL 198 Ca 0.19 -1.31 -0.11 0.00 -1.81 0.00 0.00 61.98 58.93 3sc2 s VAL 198 Cb 0.18 -1.28 0.08 0.00 0.56 0.00 0.00 36.38 35.92 3sc2 s VAL 198 CO 0.58 -0.72 1.10 -0.94 -0.31 0.00 0.00 175.10 174.80 3sc2 s SER 199 N -2.70 4.29 0.19 4.85 1.04 -1.26 -4.73 113.70 115.38 3sc2 s SER 199 Ca 0.03 1.33 -0.11 0.00 0.48 0.00 0.00 55.95 57.68 3sc2 s SER 199 Cb 0.04 -2.05 0.10 0.00 0.10 0.00 0.00 66.02 64.22 3sc2 s SER 199 CO -0.09 -2.10 1.79 0.44 0.98 0.00 0.00 173.24 174.26 3sc2 h ASP 200 N -1.18 0.82 -0.42 7.02 3.32 -1.99 -2.01 116.42 121.99 3sc2 h ASP 200 Ca -0.47 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.45 3sc2 h ASP 200 Cb 1.27 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 3sc2 h ASP 200 CO 0.58 0.69 0.16 0.44 -1.72 0.00 0.00 179.24 179.40 3sc2 h ASP 201 N 0.89 0.58 -0.67 6.45 3.32 -2.00 -2.85 116.42 122.14 3sc2 h ASP 201 Ca 0.23 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3sc2 h ASP 201 Cb 0.06 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3sc2 h ASP 201 CO -0.03 0.59 0.35 0.74 -1.72 0.00 0.00 179.24 179.16 3sc2 h THR 202 N 0.53 1.22 -0.95 0.35 2.02 -1.92 0.27 112.91 114.42 3sc2 h THR 202 Ca 0.14 -0.58 0.01 0.00 0.77 0.00 0.00 66.41 66.75 3sc2 h THR 202 Cb 0.20 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 3sc2 h THR 202 CO -0.01 0.25 0.63 0.22 0.37 0.00 0.00 175.52 176.98 3sc2 h TYR 203 N 0.97 1.19 -0.01 3.16 3.20 -1.26 0.18 116.97 124.39 3sc2 h TYR 203 Ca 0.24 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.98 3sc2 h TYR 203 Cb 0.07 -0.40 0.01 0.00 1.54 0.00 0.00 36.73 37.95 3sc2 h TYR 203 CO 0.01 0.74 -0.61 -0.09 -1.64 0.00 0.00 178.16 176.58 3sc2 h ARG 204 N 1.28 0.43 -0.93 1.82 2.43 -1.19 -2.88 114.38 115.34 3sc2 h ARG 204 Ca 0.35 -0.45 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3sc2 h ARG 204 Cb -0.14 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 3sc2 h ARG 204 CO -0.08 1.11 0.58 -0.09 -1.51 0.00 0.00 179.97 179.98 3sc2 h ARG 205 N -0.06 1.25 -0.64 0.20 2.43 -0.12 -2.10 114.38 115.35 3sc2 h ARG 205 Ca -0.07 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 58.95 3sc2 h ARG 205 Cb 1.31 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 3sc2 h ARG 205 CO 0.12 0.86 0.22 -0.07 -1.51 0.00 0.00 179.97 179.59 3sc2 h LEU 206 N 1.27 0.91 -0.69 3.80 3.38 -0.69 0.25 115.31 123.55 3sc2 h LEU 206 Ca 0.34 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 3sc2 h LEU 206 Cb -0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 3sc2 h LEU 206 CO -0.07 0.86 0.01 0.11 0.09 0.00 0.00 178.44 179.44 3sc2 h LYS 207 N 0.91 1.01 0.01 1.13 1.57 -1.22 -1.68 116.57 118.30 3sc2 h LYS 207 Ca 0.21 -0.31 -0.20 0.00 -1.87 0.00 0.00 60.65 58.48 3sc2 h LYS 207 Cb 0.26 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3sc2 h LYS 207 CO -0.01 0.99 -0.89 0.93 -0.57 0.00 0.00 179.45 179.90 3sc2 h GLU 208 N 0.93 0.17 0.18 3.15 5.08 -1.13 -3.25 114.58 119.71 3sc2 h GLU 208 Ca 0.17 -0.19 -0.31 0.00 -1.00 0.00 0.00 59.36 58.03 3sc2 h GLU 208 Cb 0.53 0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.86 3sc2 h GLU 208 CO 0.03 0.95 -1.40 0.00 -1.00 0.00 0.00 179.01 177.59 3sc2 h ALA 209 N 0.98 0.02 -0.01 3.43 0.00 -0.40 -3.42 119.26 119.85 3sc2 h ALA 209 Ca -0.04 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.95 3sc2 h ALA 209 Cb 1.53 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3sc2 h ALA 209 CO 0.13 0.89 -0.16 0.00 0.00 0.00 0.00 179.25 180.11 3sc2 n LEU 211 N 0.30 0.64 -0.82 0.00 4.77 -1.22 -1.60 117.00 119.08 3sc2 n LEU 211 Ca 0.07 0.68 0.10 0.00 -0.03 0.00 0.00 56.01 56.84 3sc2 n LEU 211 Cb 0.34 -0.62 0.09 0.00 -2.33 0.00 0.00 43.42 40.89 3sc2 n LEU 211 CO 0.14 -0.63 0.57 1.41 -1.33 0.00 0.00 177.39 177.55 3sc2 n HIS 212 N -2.23 0.02 -2.72 -1.77 8.25 -1.26 -4.80 115.22 110.70 3sc2 n HIS 212 Ca 0.01 -0.01 -0.23 0.00 -0.26 0.00 0.00 57.72 57.24 3sc2 n HIS 212 Cb 0.19 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.33 3sc2 n HIS 212 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3sc2 s ASP 213 N -1.68 5.49 0.36 0.41 1.01 -0.62 -5.09 116.67 116.55 3sc2 s ASP 213 Ca 0.24 0.20 -0.07 0.00 0.71 0.00 0.00 52.55 53.64 3sc2 s ASP 213 Cb 0.17 -1.22 -0.05 0.00 1.01 0.00 0.00 42.92 42.82 3sc2 s ASP 213 CO 0.25 -0.99 0.66 -0.94 0.21 0.00 0.00 175.17 174.36 3sc2 s SER 214 N -4.34 6.44 0.21 0.27 1.04 -1.26 -4.60 113.70 111.45 3sc2 s SER 214 Ca 0.54 0.88 -0.03 0.00 0.48 0.00 0.00 55.95 57.81 3sc2 s SER 214 Cb -0.10 -2.22 0.17 0.00 0.10 0.00 0.00 66.02 63.97 3sc2 s SER 214 CO 0.39 -0.33 1.57 -0.26 0.98 0.00 0.00 173.24 175.60 3sc2 h PHE 215 N 1.28 0.76 0.00 5.02 -1.00 -1.96 -3.23 116.94 117.80 3sc2 h PHE 215 Ca -0.48 -0.22 -0.13 0.00 2.81 0.00 0.00 57.97 59.96 3sc2 h PHE 215 Cb 1.19 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 40.57 3sc2 h PHE 215 CO 0.58 0.93 -0.84 0.97 -1.61 0.00 0.00 178.31 178.34 3sc2 h ILE 216 N 0.52 0.73 -2.05 -0.55 2.10 -2.02 -3.38 117.51 112.87 3sc2 h ILE 216 Ca 0.05 -2.13 -0.56 0.00 1.08 0.00 0.00 64.86 63.30 3sc2 h ILE 216 Cb 0.91 2.27 -0.40 0.00 -1.09 0.00 0.00 36.82 38.51 3sc2 h ILE 216 CO 0.08 0.42 -1.01 1.41 -1.08 0.00 0.00 178.15 177.97 3sc2 n HIS 217 N -3.10 0.67 -1.40 2.19 8.25 -1.24 -5.11 115.22 115.48 3sc2 n HIS 217 Ca -0.02 -3.73 -0.32 0.00 -0.26 0.00 0.00 57.72 53.39 3sc2 n HIS 217 Cb 0.77 -0.41 0.08 0.00 1.12 0.00 0.00 29.99 31.56 3sc2 n HIS 217 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3sc2 s PRO 218 N -1.74 2.34 0.88 -0.41 0.04 -1.22 -4.22 135.00 130.68 3sc2 s PRO 218 Ca 0.37 1.32 -0.14 0.00 0.04 0.00 0.00 61.00 62.59 3sc2 s PRO 218 Cb 0.20 -1.90 0.13 0.00 0.04 0.00 0.00 34.50 32.97 3sc2 s PRO 218 CO -0.09 -1.59 1.23 -1.54 0.04 0.00 0.00 177.00 175.05 3sc2 s SER 219 N -2.96 3.89 0.28 6.66 1.04 -1.26 -4.83 113.70 116.52 3sc2 s SER 219 Ca 0.64 0.60 -0.00 0.00 0.48 0.00 0.00 55.95 57.67 3sc2 s SER 219 Cb -0.20 -0.92 0.40 0.00 0.10 0.00 0.00 66.02 65.40 3sc2 s SER 219 CO 0.50 -2.28 1.78 -0.65 0.98 0.00 0.00 173.24 173.58 3sc2 h PRO 220 N -1.32 0.71 -0.59 4.02 0.11 -1.96 0.54 132.00 133.52 3sc2 h PRO 220 Ca -0.46 -0.19 -0.01 0.00 0.11 0.00 0.00 66.00 65.46 3sc2 h PRO 220 Cb 1.29 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 3sc2 h PRO 220 CO 0.55 0.74 0.35 0.00 -0.21 0.00 0.00 178.00 179.42 3sc2 h ALA 221 N 1.32 0.75 -0.43 -0.75 0.00 -1.93 -0.70 119.26 117.52 3sc2 h ALA 221 Ca 0.13 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3sc2 h ALA 221 Cb 0.44 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3sc2 h ALA 221 CO 0.02 0.24 0.08 0.00 0.00 0.00 0.00 179.25 179.59 3sc2 h ASP 223 N 0.57 0.73 -0.14 0.00 3.32 -0.67 0.04 116.42 120.27 3sc2 h ASP 223 Ca 0.13 -0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.11 3sc2 h ASP 223 Cb 0.37 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 3sc2 h ASP 223 CO 0.01 0.63 -0.13 0.00 -1.72 0.00 0.00 179.24 178.03 3sc2 h ALA 224 N 1.13 -0.03 -0.36 3.45 0.00 -1.00 -0.23 119.26 122.22 3sc2 h ALA 224 Ca 0.20 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.23 3sc2 h ALA 224 Cb 0.08 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3sc2 h ALA 224 CO -0.03 -0.57 -0.00 0.00 0.00 0.00 0.00 179.25 178.64 3sc2 h ALA 225 N 0.94 0.32 -0.01 0.00 0.00 -0.99 -2.60 119.26 116.92 3sc2 h ALA 225 Ca 0.09 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3sc2 h ALA 225 Cb 0.29 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3sc2 h ALA 225 CO -0.23 -0.40 -0.18 1.15 0.00 0.00 0.00 179.25 179.59 3sc2 h THR 226 N 0.09 1.13 -0.26 0.00 2.02 -0.59 -2.26 112.91 113.05 3sc2 h THR 226 Ca 0.18 -0.63 -0.13 0.00 0.77 0.00 0.00 66.41 66.59 3sc2 h THR 226 Cb 0.24 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3sc2 h THR 226 CO -0.30 0.18 -0.39 0.44 0.37 0.00 0.00 175.52 175.83 3sc2 h ASP 227 N 0.02 0.63 -0.45 4.18 3.32 -0.66 -1.42 116.42 122.04 3sc2 h ASP 227 Ca 0.00 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.71 3sc2 h ASP 227 Cb 0.32 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3sc2 h ASP 227 CO 0.02 0.95 0.02 0.58 -1.72 0.00 0.00 179.24 179.09 3sc2 h VAL 228 N 0.50 1.26 -0.28 -1.35 2.07 -1.23 -2.46 116.25 114.75 3sc2 h VAL 228 Ca 0.05 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3sc2 h VAL 228 Cb 0.89 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3sc2 h VAL 228 CO 0.08 0.35 0.13 0.00 0.02 0.00 0.00 177.57 178.15 3sc2 h ALA 229 N 0.92 0.37 -0.94 1.67 0.00 -1.45 0.12 119.26 119.95 3sc2 h ALA 229 Ca 0.13 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.04 3sc2 h ALA 229 Cb 0.47 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 3sc2 h ALA 229 CO 0.02 -0.06 0.57 1.15 0.00 0.00 0.00 179.25 180.93 3sc2 h THR 230 N 0.32 0.92 0.00 0.00 2.02 -1.19 0.13 112.91 115.11 3sc2 h THR 230 Ca 0.10 -0.32 -0.12 0.00 0.77 0.00 0.00 66.41 66.84 3sc2 h THR 230 Cb 0.14 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.44 3sc2 h THR 230 CO -0.01 0.17 -0.58 0.00 0.37 0.00 0.00 175.52 175.47 3sc2 h ALA 231 N 1.50 1.03 0.00 6.16 0.00 -0.82 -2.87 119.26 124.27 3sc2 h ALA 231 Ca 0.46 -0.53 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3sc2 h ALA 231 Cb 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3sc2 h ALA 231 CO -0.26 0.72 -0.64 0.93 0.00 0.00 0.00 179.25 180.01 3sc2 h GLU 232 N 0.00 0.00 -0.11 0.00 5.08 0.17 -3.30 114.58 116.42 3sc2 h GLU 232 Ca -0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3sc2 h GLU 232 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3sc2 h GLU 232 CO 0.08 0.64 -0.40 1.96 -1.00 0.00 0.00 179.01 180.28 3sc2 h GLN 233 N 0.00 0.24 0.00 2.33 4.20 -0.86 -3.46 115.11 117.56 3sc2 h GLN 233 Ca -0.01 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3sc2 h GLN 233 Cb 1.16 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3sc2 h GLN 233 CO 0.08 0.61 0.00 0.41 -0.67 0.00 0.00 178.83 179.26 3sc2 n GLY 234 N -0.20 -1.09 3.24 3.46 0.00 -1.18 -4.24 105.19 105.20 3sc2 n GLY 234 Ca -0.01 -1.19 -0.44 0.00 0.00 0.00 0.00 46.02 44.38 3sc2 n GLY 234 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3sc2 n ASN 235 N -0.83 5.26 -4.48 1.61 4.05 -1.26 -4.92 115.26 114.69 3sc2 n ASN 235 Ca 0.00 -3.05 -0.24 0.00 0.45 0.00 0.00 54.58 51.75 3sc2 n ASN 235 Cb 0.00 -1.51 -0.10 0.00 1.23 0.00 0.00 39.78 39.39 3sc2 n ASN 235 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 3sc2 s ILE 236 N 0.78 2.28 -0.69 -1.44 -4.36 -1.26 -4.92 121.20 111.58 3sc2 s ILE 236 Ca 0.40 -2.31 -0.20 0.00 -0.26 0.00 0.00 60.65 58.29 3sc2 s ILE 236 Cb 0.01 -2.40 0.10 0.00 1.25 0.00 0.00 42.46 41.42 3sc2 s ILE 236 CO 0.00 -0.34 0.89 -0.62 0.24 0.00 0.00 174.94 175.11 3sc2 s ASP 237 N -3.52 6.28 0.64 4.36 -1.08 -1.26 -4.86 116.67 117.22 3sc2 s ASP 237 Ca 0.30 -1.41 0.35 0.00 -0.52 0.00 0.00 52.55 51.27 3sc2 s ASP 237 Cb -0.02 -2.36 1.93 0.00 -1.46 0.00 0.00 42.92 41.01 3sc2 s ASP 237 CO 0.15 -1.22 2.16 0.24 0.52 0.00 0.00 175.17 177.01 3sc2 h MET 238 N 9.23 0.00 0.00 4.34 2.86 -1.96 -1.33 114.93 128.08 3sc2 h MET 238 Ca -0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3sc2 h MET 238 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 3sc2 h MET 238 CO 1.12 0.00 0.00 0.66 1.06 0.00 0.00 176.91 179.75 3sc2 n TYR 239 N -3.33 0.00 -3.06 -0.22 4.01 -1.26 -4.58 117.16 108.72 3sc2 n TYR 239 Ca -0.01 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.76 3sc2 n TYR 239 Cb 0.24 -0.29 -0.00 0.00 -0.31 0.00 0.00 39.34 38.98 3sc2 n TYR 239 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3sc2 s SER 240 N -2.58 -0.96 0.44 7.72 0.15 -0.51 -5.07 113.70 112.90 3sc2 s SER 240 Ca 0.28 -0.21 0.16 0.00 0.70 0.00 0.00 55.95 56.88 3sc2 s SER 240 Cb 0.20 1.39 1.07 0.00 -1.71 0.00 0.00 66.02 66.97 3sc2 s SER 240 CO 0.46 -0.14 1.95 -0.07 1.20 0.00 0.00 173.24 176.64 3sc2 h LEU 241 N 6.84 0.35 -3.13 3.45 3.38 -1.79 -3.20 115.31 121.21 3sc2 h LEU 241 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3sc2 h LEU 241 Cb 1.20 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3sc2 h LEU 241 CO 0.02 0.19 0.00 -1.22 0.09 0.00 0.00 178.44 177.52 3sc2 n TYR 242 N -4.47 0.53 -4.33 1.13 4.01 -1.26 -4.78 117.16 107.99 3sc2 n TYR 242 Ca 0.12 -0.87 -0.24 0.00 -0.16 0.00 0.00 57.90 56.75 3sc2 n TYR 242 Cb 0.48 -0.22 -0.08 0.00 -0.31 0.00 0.00 39.34 39.20 3sc2 n TYR 242 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3sc2 s THR 243 N -2.60 3.16 0.64 -0.72 -4.23 -1.21 -5.13 115.64 105.55 3sc2 s THR 243 Ca 0.35 -1.93 -0.14 0.00 -1.18 0.00 0.00 61.69 58.78 3sc2 s THR 243 Cb 0.28 -2.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.47 3sc2 s THR 243 CO 0.07 -0.29 1.07 -2.16 -0.54 0.00 0.00 174.62 172.77 3sc2 s PRO 244 N -3.36 3.06 0.26 3.99 0.04 -1.26 -4.60 135.00 133.13 3sc2 s PRO 244 Ca 0.29 1.20 -0.23 0.00 0.04 0.00 0.00 61.00 62.29 3sc2 s PRO 244 Cb -0.07 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 3sc2 s PRO 244 CO 0.17 -1.02 0.83 0.08 0.04 0.00 0.00 177.00 177.11 3sc2 s VAL 245 N -2.57 4.37 0.30 -0.36 1.01 -1.26 -4.90 120.40 116.99 3sc2 s VAL 245 Ca 0.63 1.59 -0.29 0.00 0.00 0.00 0.00 61.98 63.92 3sc2 s VAL 245 Cb -0.17 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 3sc2 s VAL 245 CO 0.42 0.22 1.10 0.00 0.00 0.00 0.00 175.10 176.84