#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pa4 n LYS 13 N 0.00 0.49 -4.87 5.55 4.81 -1.26 -2.84 118.16 120.04 2pa4 n LYS 13 Ca 0.00 0.16 -0.33 0.00 -0.87 0.00 0.00 58.31 57.28 2pa4 n LYS 13 Cb 0.00 -1.35 -0.16 0.00 0.02 0.00 0.00 35.03 33.54 2pa4 n LYS 13 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2pa4 s THR 14 N -2.41 2.36 -0.16 3.15 2.01 -1.26 0.36 115.64 119.69 2pa4 s THR 14 Ca -0.29 -0.90 -0.05 0.00 0.31 0.00 0.00 61.69 60.76 2pa4 s THR 14 Cb 0.09 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 2pa4 s THR 14 CO 0.43 0.54 -0.01 -0.69 -0.69 0.00 0.00 174.62 174.21 2pa4 s VAL 15 N 0.55 4.16 -0.11 3.82 1.01 -0.63 -4.28 120.40 124.92 2pa4 s VAL 15 Ca -0.12 -0.26 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 2pa4 s VAL 15 Cb -0.16 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2pa4 s VAL 15 CO 0.04 0.48 0.58 -0.69 0.00 0.00 0.00 175.10 175.52 2pa4 s VAL 16 N 0.38 5.11 -0.37 2.92 1.01 0.39 -0.86 120.40 128.98 2pa4 s VAL 16 Ca -0.02 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.16 2pa4 s VAL 16 Cb -0.14 -3.92 0.11 0.00 0.00 0.00 0.00 36.38 32.43 2pa4 s VAL 16 CO 0.02 0.27 0.12 -0.69 0.00 0.00 0.00 175.10 174.83 2pa4 s VAL 17 N 0.83 1.68 -0.32 2.92 1.01 0.78 -1.67 120.40 125.64 2pa4 s VAL 17 Ca 0.31 -2.17 -0.29 0.00 0.00 0.00 0.00 61.98 59.83 2pa4 s VAL 17 Cb -0.16 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 2pa4 s VAL 17 CO 0.13 -0.70 1.69 -2.84 0.00 0.00 0.00 175.10 173.38 2pa4 s PRO 18 N 0.92 3.49 -0.08 2.72 0.02 -1.26 -1.69 135.00 139.12 2pa4 s PRO 18 Ca 0.12 1.40 0.18 0.00 0.02 0.00 0.00 61.00 62.72 2pa4 s PRO 18 Cb -0.20 -4.13 0.38 0.00 0.02 0.00 0.00 34.50 30.57 2pa4 s PRO 18 CO -0.12 -1.66 1.17 0.00 -0.33 0.00 0.00 177.00 176.06 2pa4 n ALA 19 N 9.57 2.80 -0.34 -1.55 0.00 0.02 -4.56 120.51 126.45 2pa4 n ALA 19 Ca 0.21 -2.60 0.12 0.00 0.00 0.00 0.00 53.44 51.16 2pa4 n ALA 19 Cb 0.47 -0.55 0.32 0.00 0.00 0.00 0.00 19.45 19.69 2pa4 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pa4 n ALA 20 N -0.26 2.38 -1.36 0.00 0.00 -0.72 -4.52 120.51 116.04 2pa4 n ALA 20 Ca 0.11 -1.29 -0.29 0.00 0.00 0.00 0.00 53.44 51.97 2pa4 n ALA 20 Cb 0.91 -0.94 0.15 0.00 0.00 0.00 0.00 19.45 19.57 2pa4 n ALA 20 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2pa4 s GLY 21 N -1.02 1.58 0.26 0.00 0.00 -1.26 -4.62 107.32 102.27 2pa4 s GLY 21 Ca 0.49 -0.38 0.17 0.00 0.00 0.00 0.00 44.72 45.00 2pa4 s GLY 21 CO 0.34 0.18 1.35 1.41 0.00 0.00 0.00 173.10 176.37 2pa4 h LEU 22 N -1.62 0.00 -1.08 0.66 3.38 -1.96 -3.48 115.31 111.20 2pa4 h LEU 22 Ca -0.52 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.06 2pa4 h LEU 22 Cb 1.32 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.20 2pa4 h LEU 22 CO 0.59 0.41 -0.71 0.61 0.09 0.00 0.00 178.44 179.43 2pa4 n GLY 23 N 1.23 -0.49 0.47 0.83 0.00 -1.26 -4.87 105.19 101.10 2pa4 n GLY 23 Ca 0.00 0.21 0.28 0.00 0.00 0.00 0.00 46.02 46.52 2pa4 n GLY 23 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pa4 h THR 24 N -2.45 0.52 0.00 2.61 1.35 -1.94 -1.42 112.91 111.58 2pa4 h THR 24 Ca -0.58 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 2pa4 h THR 24 Cb 1.36 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 2pa4 h THR 24 CO 0.56 0.00 0.00 0.03 -0.25 0.00 0.00 175.52 175.86 2pa4 h ARG 25 N 0.00 0.00 -0.38 4.72 3.08 -1.90 -2.72 114.38 117.19 2pa4 h ARG 25 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 2pa4 h ARG 25 Cb 1.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.77 2pa4 h ARG 25 CO -0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 2pa4 n PHE 26 N -2.89 0.94 -2.77 3.04 3.01 -0.54 -4.63 117.46 113.62 2pa4 n PHE 26 Ca 0.01 -0.69 -0.33 0.00 1.01 0.00 0.00 57.45 57.44 2pa4 n PHE 26 Cb 0.28 -0.21 -0.06 0.00 -0.01 0.00 0.00 39.48 39.47 2pa4 n PHE 26 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2pa4 s LEU 27 N -2.01 3.92 0.11 4.37 1.43 -1.03 -1.80 118.68 123.67 2pa4 s LEU 27 Ca 0.38 1.74 0.25 0.00 -1.03 0.00 0.00 54.13 55.46 2pa4 s LEU 27 Cb 0.27 -4.54 0.95 0.00 0.03 0.00 0.00 46.19 42.90 2pa4 s LEU 27 CO 0.15 -0.44 1.76 -0.81 0.23 0.00 0.00 176.35 177.24 2pa4 n PRO 28 N -0.70 0.12 -0.26 1.29 -0.04 -1.26 -4.88 135.00 129.27 2pa4 n PRO 28 Ca 0.07 0.18 0.06 0.00 -0.04 0.00 0.00 63.50 63.78 2pa4 n PRO 28 Cb 0.54 -1.66 0.20 0.00 -0.04 0.00 0.00 33.50 32.53 2pa4 n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pa4 h ALA 29 N 2.64 1.01 0.00 0.55 0.00 -1.76 0.33 119.26 122.03 2pa4 h ALA 29 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2pa4 h ALA 29 Cb 0.51 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2pa4 h ALA 29 CO 0.00 -0.33 0.00 0.25 0.00 0.00 0.00 179.25 179.17 2pa4 n THR 30 N -5.14 0.00 -0.24 0.00 -2.24 -1.03 -2.77 114.28 102.87 2pa4 n THR 30 Ca 0.15 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.91 2pa4 n THR 30 Cb 0.48 -0.25 0.09 0.00 -2.10 0.00 0.00 70.33 68.54 2pa4 n THR 30 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2pa4 h LYS 31 N 0.00 0.76 0.00 -0.78 3.64 -1.24 -3.31 116.57 115.64 2pa4 h LYS 31 Ca 0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2pa4 h LYS 31 Cb 0.00 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2pa4 h LYS 31 CO 0.00 0.50 -1.06 0.25 -2.27 0.00 0.00 179.45 176.88 2pa4 n THR 32 N -4.72 0.00 -3.36 1.00 -2.24 -1.23 -5.02 114.28 98.72 2pa4 n THR 32 Ca 0.08 -0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.44 2pa4 n THR 32 Cb 0.12 0.43 -0.08 0.00 -2.10 0.00 0.00 70.33 68.71 2pa4 n THR 32 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2pa4 s VAL 33 N -2.08 5.16 0.22 2.28 1.01 -1.12 -4.97 120.40 120.91 2pa4 s VAL 33 Ca -0.00 0.70 -0.30 0.00 0.00 0.00 0.00 61.98 62.37 2pa4 s VAL 33 Cb 0.01 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 2pa4 s VAL 33 CO 0.05 0.18 1.42 -2.84 0.00 0.00 0.00 175.10 173.92 2pa4 s PRO 34 N 1.78 4.29 0.59 2.72 0.02 -1.26 -4.20 135.00 138.93 2pa4 s PRO 34 Ca 0.18 2.24 0.29 0.00 0.02 0.00 0.00 61.00 63.74 2pa4 s PRO 34 Cb -0.15 -3.14 1.79 0.00 0.02 0.00 0.00 34.50 33.02 2pa4 s PRO 34 CO 0.09 -0.41 2.24 1.57 -0.33 0.00 0.00 177.00 180.16 2pa4 h LYS 35 N 5.40 0.00 0.00 5.54 2.10 -1.92 -0.62 116.57 127.08 2pa4 h LYS 35 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2pa4 h LYS 35 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2pa4 h LYS 35 CO 0.80 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.64 2pa4 n GLU 36 N -3.86 0.05 0.00 0.07 4.71 -1.26 -2.76 120.64 117.58 2pa4 n GLU 36 Ca -0.02 0.18 0.09 0.00 -0.01 0.00 0.00 57.16 57.39 2pa4 n GLU 36 Cb 0.11 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.06 2pa4 n GLU 36 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2pa4 n LEU 37 N -1.46 1.98 -4.73 -4.62 4.77 -0.24 -2.03 117.00 110.67 2pa4 n LEU 37 Ca 0.05 -0.85 -0.42 0.00 -0.03 0.00 0.00 56.01 54.77 2pa4 n LEU 37 Cb 0.20 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 2pa4 n LEU 37 CO 0.16 0.36 1.19 -0.76 -1.33 0.00 0.00 177.39 177.01 2pa4 s LEU 38 N -1.90 4.37 0.15 2.23 1.43 -1.11 -4.47 118.68 119.38 2pa4 s LEU 38 Ca 0.17 2.69 -0.30 0.00 -1.03 0.00 0.00 54.13 55.66 2pa4 s LEU 38 Cb 0.14 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.68 2pa4 s LEU 38 CO 0.36 -0.79 1.17 -2.16 0.23 0.00 0.00 176.35 175.15 2pa4 s PRO 39 N 0.31 4.51 -0.97 1.29 0.04 -1.26 -3.58 135.00 135.34 2pa4 s PRO 39 Ca 0.65 1.80 -0.14 0.00 0.04 0.00 0.00 61.00 63.35 2pa4 s PRO 39 Cb -0.44 -3.28 0.21 0.00 0.04 0.00 0.00 34.50 31.03 2pa4 s PRO 39 CO 0.38 -0.07 1.02 0.08 0.04 0.00 0.00 177.00 178.45 2pa4 s VAL 40 N 0.13 5.42 0.00 -0.36 1.01 0.47 -4.56 120.40 122.52 2pa4 s VAL 40 Ca 0.53 -2.51 0.00 0.00 0.00 0.00 0.00 61.98 60.00 2pa4 s VAL 40 Cb -0.31 -4.63 0.00 0.00 0.00 0.00 0.00 36.38 31.44 2pa4 s VAL 40 CO 0.34 -1.26 0.00 0.52 0.00 0.00 0.00 175.10 174.71 2pa4 n VAL 41 N 4.12 0.00 -0.71 2.92 0.31 -1.26 -3.03 118.33 120.67 2pa4 n VAL 41 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 2pa4 n VAL 41 Cb 0.45 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 2pa4 n VAL 41 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2pa4 n ASP 42 N 4.77 0.00 -4.35 4.52 5.68 -1.26 -5.08 116.55 120.84 2pa4 n ASP 42 Ca 0.00 -0.66 -0.34 0.00 -0.50 0.00 0.00 54.79 53.29 2pa4 n ASP 42 Cb 0.00 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 39.84 2pa4 n ASP 42 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2pa4 s THR 43 N 0.00 3.39 0.54 2.12 2.01 -1.17 -4.83 115.64 117.70 2pa4 s THR 43 Ca 0.00 -0.50 -0.20 0.00 0.31 0.00 0.00 61.69 61.30 2pa4 s THR 43 Cb 0.00 -2.51 -0.06 0.00 0.01 0.00 0.00 72.50 69.94 2pa4 s THR 43 CO 0.00 0.45 1.15 -2.16 -0.69 0.00 0.00 174.62 173.37 2pa4 s PRO 44 N 1.10 3.37 0.32 4.92 0.04 -1.26 -0.39 135.00 143.10 2pa4 s PRO 44 Ca 0.01 1.68 0.05 0.00 0.04 0.00 0.00 61.00 62.79 2pa4 s PRO 44 Cb -0.15 -2.07 0.69 0.00 0.04 0.00 0.00 34.50 33.02 2pa4 s PRO 44 CO -0.01 -0.85 1.85 0.78 0.04 0.00 0.00 177.00 178.81 2pa4 h GLY 45 N 1.30 1.42 1.87 0.56 0.00 -1.59 -0.97 103.07 105.66 2pa4 h GLY 45 Ca -0.50 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.45 2pa4 h GLY 45 CO 0.57 0.12 -0.01 1.19 0.00 0.00 0.00 176.54 178.41 2pa4 h ILE 46 N 0.83 1.09 -0.06 2.60 2.10 -1.48 0.33 117.51 122.93 2pa4 h ILE 46 Ca 0.47 -0.35 -0.19 0.00 1.08 0.00 0.00 64.86 65.87 2pa4 h ILE 46 Cb 0.61 1.01 -0.00 0.00 -1.09 0.00 0.00 36.82 37.34 2pa4 h ILE 46 CO -0.24 0.11 -0.78 -0.08 -1.08 0.00 0.00 178.15 176.09 2pa4 h GLU 47 N 0.17 0.40 -0.41 2.19 4.81 -1.47 -0.58 114.58 119.69 2pa4 h GLU 47 Ca 0.04 -0.35 -0.15 0.00 -0.13 0.00 0.00 59.36 58.78 2pa4 h GLU 47 Cb 0.14 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2pa4 h GLU 47 CO 0.00 1.00 -0.32 -0.07 -0.73 0.00 0.00 179.01 178.89 2pa4 h LEU 48 N 0.26 0.97 -0.69 1.64 3.38 -1.00 -1.05 115.31 118.81 2pa4 h LEU 48 Ca -0.04 -0.41 -0.11 0.00 0.09 0.00 0.00 57.88 57.41 2pa4 h LEU 48 Cb 1.37 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2pa4 h LEU 48 CO 0.13 1.20 -0.13 0.40 0.09 0.00 0.00 178.44 180.13 2pa4 h ILE 49 N 0.77 1.26 -0.73 1.22 5.03 -0.87 -1.42 117.51 122.77 2pa4 h ILE 49 Ca 0.08 -1.24 -0.03 0.00 -0.12 0.00 0.00 64.86 63.55 2pa4 h ILE 49 Cb 0.90 1.04 -0.03 0.00 -3.03 0.00 0.00 36.82 35.70 2pa4 h ILE 49 CO 0.08 0.43 0.33 0.00 -0.68 0.00 0.00 178.15 178.31 2pa4 h ALA 50 N 1.07 0.94 -0.45 1.87 0.00 -0.74 -0.59 119.26 121.35 2pa4 h ALA 50 Ca 0.12 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2pa4 h ALA 50 Cb 0.65 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2pa4 h ALA 50 CO 0.05 0.53 0.04 0.00 0.00 0.00 0.00 179.25 179.87 2pa4 h ALA 51 N 1.16 1.22 -0.51 0.00 0.00 -1.00 -1.29 119.26 118.84 2pa4 h ALA 51 Ca 0.25 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2pa4 h ALA 51 Cb 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2pa4 h ALA 51 CO -0.03 0.52 -0.08 1.49 0.00 0.00 0.00 179.25 181.15 2pa4 h GLU 52 N 0.68 0.96 -0.51 0.00 4.81 -0.50 -2.50 114.58 117.53 2pa4 h GLU 52 Ca 0.14 -0.35 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 2pa4 h GLU 52 Cb 0.36 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2pa4 h GLU 52 CO 0.01 1.01 0.05 0.00 -0.73 0.00 0.00 179.01 179.35 2pa4 h ALA 53 N 0.92 0.68 -0.25 2.92 0.00 -0.75 -2.88 119.26 119.90 2pa4 h ALA 53 Ca 0.14 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2pa4 h ALA 53 Cb 0.63 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2pa4 h ALA 53 CO 0.04 0.45 0.10 0.00 0.00 0.00 0.00 179.25 179.84 2pa4 h ALA 54 N 0.96 0.29 -0.71 0.00 0.00 -1.17 -1.66 119.26 116.96 2pa4 h ALA 54 Ca 0.15 0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.27 2pa4 h ALA 54 Cb 0.45 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2pa4 h ALA 54 CO 0.02 -0.31 0.50 1.49 0.00 0.00 0.00 179.25 180.95 2pa4 h GLU 55 N 0.23 0.10 -0.01 0.00 4.22 -1.36 0.94 114.58 118.70 2pa4 h GLU 55 Ca 0.11 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.54 2pa4 h GLU 55 Cb 0.06 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2pa4 h GLU 55 CO -0.10 0.07 -0.27 -0.11 -2.18 0.00 0.00 179.01 176.42 2pa4 n LEU 56 N -4.37 0.82 0.00 1.64 7.94 -0.79 -4.95 117.00 117.29 2pa4 n LEU 56 Ca 0.14 -0.15 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 2pa4 n LEU 56 Cb 0.71 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 44.50 2pa4 n LEU 56 CO 0.36 0.16 0.00 0.61 -1.11 0.00 0.00 177.39 177.41 2pa4 n GLY 57 N 1.36 0.84 3.76 -3.96 0.00 0.33 -4.54 105.19 102.98 2pa4 n GLY 57 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2pa4 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa4 s ALA 58 N -2.08 3.42 -0.54 4.61 0.00 -0.70 -4.65 121.76 121.82 2pa4 s ALA 58 Ca 0.00 0.94 0.17 0.00 0.00 0.00 0.00 51.96 53.07 2pa4 s ALA 58 Cb 0.00 -3.35 -0.22 0.00 0.00 0.00 0.00 23.12 19.55 2pa4 s ALA 58 CO 0.00 -0.24 0.62 0.25 0.00 0.00 0.00 175.76 176.39 2pa4 n THR 59 N 1.33 0.00 -4.23 0.00 -2.24 0.16 -4.37 114.28 104.94 2pa4 n THR 59 Ca -0.00 -0.20 -0.19 0.00 -2.27 0.00 0.00 64.05 61.38 2pa4 n THR 59 Cb 0.44 0.68 -0.12 0.00 -2.10 0.00 0.00 70.33 69.24 2pa4 n THR 59 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2pa4 s ARG 60 N -2.85 0.87 -0.15 -0.78 0.52 -0.37 -2.09 118.95 114.10 2pa4 s ARG 60 Ca 0.02 -0.92 0.01 0.00 -0.52 0.00 0.00 55.73 54.33 2pa4 s ARG 60 Cb 0.13 -0.89 0.02 0.00 0.52 0.00 0.00 34.95 34.72 2pa4 s ARG 60 CO 0.72 0.20 -0.18 -0.51 0.02 0.00 0.00 175.30 175.56 2pa4 s LEU 61 N -1.59 1.91 -0.55 2.53 1.43 -0.11 -1.61 118.68 120.68 2pa4 s LEU 61 Ca -0.01 -0.55 -0.16 0.00 -1.03 0.00 0.00 54.13 52.39 2pa4 s LEU 61 Cb -0.09 -1.31 0.13 0.00 0.03 0.00 0.00 46.19 44.95 2pa4 s LEU 61 CO 0.02 0.00 0.51 0.00 0.23 0.00 0.00 176.35 177.11 2pa4 s ALA 62 N 1.19 3.67 -0.29 4.21 0.00 -0.04 0.12 121.76 130.61 2pa4 s ALA 62 Ca 0.00 -2.57 -0.19 0.00 0.00 0.00 0.00 51.96 49.21 2pa4 s ALA 62 Cb -0.14 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 2pa4 s ALA 62 CO -0.08 -2.03 0.55 0.42 0.00 0.00 0.00 175.76 174.62 2pa4 s ILE 63 N 1.54 5.02 -0.36 0.00 1.01 0.22 -0.16 121.20 128.47 2pa4 s ILE 63 Ca 0.04 0.76 -0.28 0.00 0.00 0.00 0.00 60.65 61.17 2pa4 s ILE 63 Cb -0.29 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.29 2pa4 s ILE 63 CO 0.03 -0.05 1.01 -0.63 0.00 0.00 0.00 174.94 175.30 2pa4 s ILE 64 N 2.42 4.50 0.32 2.92 -1.09 -0.68 -1.05 121.20 128.54 2pa4 s ILE 64 Ca 0.22 1.41 0.09 0.00 -2.23 0.00 0.00 60.65 60.14 2pa4 s ILE 64 Cb -0.15 -4.41 -0.06 0.00 -1.58 0.00 0.00 42.46 36.26 2pa4 s ILE 64 CO 0.11 -0.58 -0.10 0.28 -1.23 0.00 0.00 174.94 173.42 2pa4 s THR 65 N 3.69 2.11 0.19 2.92 -1.32 0.35 -0.80 115.64 122.77 2pa4 s THR 65 Ca 0.42 -2.21 0.07 0.00 -1.21 0.00 0.00 61.69 58.76 2pa4 s THR 65 Cb -0.11 -2.54 -0.04 0.00 -1.51 0.00 0.00 72.50 68.30 2pa4 s THR 65 CO 0.19 -0.26 0.07 0.00 -2.21 0.00 0.00 174.62 172.41 2pa4 s ALA 66 N -2.71 3.37 0.45 11.08 0.00 -1.26 -0.75 121.76 131.95 2pa4 s ALA 66 Ca 0.31 -1.35 0.14 0.00 0.00 0.00 0.00 51.96 51.06 2pa4 s ALA 66 Cb 0.02 -1.14 1.07 0.00 0.00 0.00 0.00 23.12 23.07 2pa4 s ALA 66 CO 0.15 0.44 2.03 -1.35 0.00 0.00 0.00 175.76 177.03 2pa4 h PRO 67 N 2.37 0.32 -0.49 0.00 0.11 -1.86 -1.93 132.00 130.52 2pa4 h PRO 67 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2pa4 h PRO 67 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2pa4 h PRO 67 CO 0.60 0.21 0.00 0.09 -0.21 0.00 0.00 178.00 178.69 2pa4 n ASN 68 N -4.47 2.55 -2.65 -2.05 5.03 -1.26 -4.33 115.26 108.08 2pa4 n ASN 68 Ca 0.06 -2.08 -0.24 0.00 0.87 0.00 0.00 54.58 53.18 2pa4 n ASN 68 Cb 0.27 -0.34 -0.01 0.00 -1.02 0.00 0.00 39.78 38.68 2pa4 n ASN 68 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2pa4 n LYS 69 N 0.71 2.96 0.22 3.52 5.02 -0.73 -4.88 118.16 124.98 2pa4 n LYS 69 Ca 0.15 -4.37 0.14 0.00 -2.02 0.00 0.00 58.31 52.21 2pa4 n LYS 69 Cb 0.43 -2.09 0.76 0.00 -0.02 0.00 0.00 35.03 34.12 2pa4 n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pa4 h ALA 70 N 2.75 1.91 0.00 7.82 0.00 -1.75 -2.61 119.26 127.37 2pa4 h ALA 70 Ca 0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2pa4 h ALA 70 Cb 0.86 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2pa4 h ALA 70 CO 0.78 -0.17 -0.11 0.78 0.00 0.00 0.00 179.25 180.53 2pa4 h GLY 71 N 0.00 0.00 0.94 0.00 0.00 -1.95 -1.95 103.07 100.11 2pa4 h GLY 71 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2pa4 h GLY 71 CO -0.00 0.00 -0.04 -2.08 0.00 0.00 0.00 176.54 174.42 2pa4 h VAL 72 N 0.00 0.91 -0.13 4.60 2.07 -1.88 0.01 116.25 121.83 2pa4 h VAL 72 Ca -0.00 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.38 2pa4 h VAL 72 Cb 0.33 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2pa4 h VAL 72 CO 0.01 0.00 -0.45 0.25 0.02 0.00 0.00 177.57 177.41 2pa4 h LEU 73 N -0.08 0.62 -1.89 2.57 5.85 -1.73 -3.13 115.31 117.52 2pa4 h LEU 73 Ca 0.01 -0.61 0.16 0.00 0.84 0.00 0.00 57.88 58.27 2pa4 h LEU 73 Cb 0.08 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2pa4 h LEU 73 CO -0.02 1.12 0.42 0.00 -0.34 0.00 0.00 178.44 179.63 2pa4 h ALA 74 N 0.51 2.41 -0.02 1.25 0.00 -1.18 0.61 119.26 122.84 2pa4 h ALA 74 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2pa4 h ALA 74 Cb 1.08 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2pa4 h ALA 74 CO 0.09 -0.58 0.02 1.25 0.00 0.00 0.00 179.25 180.04 2pa4 h HIS 75 N 0.11 0.00 -0.61 0.00 -0.00 -0.93 -1.56 115.15 112.16 2pa4 h HIS 75 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.66 2pa4 h HIS 75 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.40 2pa4 h HIS 75 CO -0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.93 179.12 2pa4 n PHE 76 N -3.86 1.22 -4.36 5.26 3.01 0.20 -4.44 117.46 114.49 2pa4 n PHE 76 Ca -0.02 -0.59 -0.24 0.00 1.01 0.00 0.00 57.45 57.61 2pa4 n PHE 76 Cb 0.11 -0.17 -0.08 0.00 -0.01 0.00 0.00 39.48 39.33 2pa4 n PHE 76 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2pa4 s GLU 77 N -1.60 2.03 0.04 -1.08 2.02 -0.59 -4.32 118.70 115.20 2pa4 s GLU 77 Ca 0.47 -1.55 -0.30 0.00 0.02 0.00 0.00 54.97 53.61 2pa4 s GLU 77 Cb 0.29 -2.00 -0.05 0.00 0.10 0.00 0.00 34.13 32.47 2pa4 s GLU 77 CO 0.25 0.36 1.11 1.03 0.02 0.00 0.00 175.26 178.02 2pa4 s ARG 78 N -3.56 4.49 -1.13 1.61 0.52 -1.26 -4.92 118.95 114.70 2pa4 s ARG 78 Ca 0.30 1.63 -0.10 0.00 -0.52 0.00 0.00 55.73 57.04 2pa4 s ARG 78 Cb -0.06 -3.39 0.25 0.00 0.52 0.00 0.00 34.95 32.27 2pa4 s ARG 78 CO 0.18 -0.17 1.17 0.45 0.02 0.00 0.00 175.30 176.95 2pa4 s SER 79 N 1.03 7.25 0.24 0.23 0.15 -1.26 -4.89 113.70 116.45 2pa4 s SER 79 Ca 0.56 -3.44 -0.06 0.00 0.70 0.00 0.00 55.95 53.72 2pa4 s SER 79 Cb -0.26 -2.25 0.42 0.00 -1.71 0.00 0.00 66.02 62.21 2pa4 s SER 79 CO 0.29 -0.40 1.72 0.28 1.20 0.00 0.00 173.24 176.33 2pa4 h SER 80 N 6.81 0.19 -0.38 5.45 0.02 -1.99 0.12 113.55 123.77 2pa4 h SER 80 Ca 0.21 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 2pa4 h SER 80 Cb 0.88 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 2pa4 h SER 80 CO 1.06 0.07 0.17 -0.08 -1.14 0.00 0.00 176.83 176.91 2pa4 h GLU 81 N 0.38 0.56 -0.09 3.45 4.81 -2.00 -1.65 114.58 120.05 2pa4 h GLU 81 Ca 0.39 -0.09 -0.21 0.00 -0.13 0.00 0.00 59.36 59.32 2pa4 h GLU 81 Cb 0.59 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2pa4 h GLU 81 CO -0.41 0.50 -0.81 1.25 -0.73 0.00 0.00 179.01 178.81 2pa4 h LEU 82 N 0.48 0.70 -0.57 1.64 5.85 -1.79 -2.21 115.31 119.41 2pa4 h LEU 82 Ca 0.13 -0.48 -0.06 0.00 0.84 0.00 0.00 57.88 58.31 2pa4 h LEU 82 Cb 0.14 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2pa4 h LEU 82 CO -0.01 1.26 0.13 -0.33 -0.34 0.00 0.00 178.44 179.15 2pa4 h GLU 83 N 0.38 0.92 0.24 1.25 5.08 -0.77 -1.86 114.58 119.82 2pa4 h GLU 83 Ca -0.06 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 2pa4 h GLU 83 Cb 1.42 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2pa4 h GLU 83 CO 0.15 0.86 -0.12 0.93 -1.00 0.00 0.00 179.01 179.83 2pa4 h GLU 84 N 0.82 -0.32 -0.73 2.33 5.08 -1.24 -1.04 114.58 119.48 2pa4 h GLU 84 Ca 0.18 0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.76 2pa4 h GLU 84 Cb 0.36 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 2pa4 h GLU 84 CO 0.00 -0.15 0.52 1.15 -1.00 0.00 0.00 179.01 179.53 2pa4 h THR 85 N -0.41 0.67 0.00 1.13 2.02 -1.22 0.16 112.91 115.26 2pa4 h THR 85 Ca -0.03 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 2pa4 h THR 85 Cb 0.31 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2pa4 h THR 85 CO 0.06 0.02 -0.77 -0.07 0.37 0.00 0.00 175.52 175.12 2pa4 h LEU 86 N 0.09 0.00 -0.31 2.58 3.38 -1.05 -3.25 115.31 116.76 2pa4 h LEU 86 Ca 0.35 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.14 2pa4 h LEU 86 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2pa4 h LEU 86 CO -0.04 0.27 -0.85 0.24 0.09 0.00 0.00 178.44 178.15 2pa4 h MET 87 N 0.00 0.04 -0.67 1.13 2.86 0.62 -0.07 114.93 118.83 2pa4 h MET 87 Ca -0.04 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2pa4 h MET 87 Cb 1.24 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.88 2pa4 h MET 87 CO 0.03 0.87 0.35 1.49 1.06 0.00 0.00 176.91 180.71 2pa4 h GLU 88 N 0.02 0.95 -0.42 1.72 4.81 -1.37 -0.99 114.58 119.31 2pa4 h GLU 88 Ca -0.02 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2pa4 h GLU 88 Cb 1.50 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2pa4 h GLU 88 CO 0.12 0.73 0.00 0.54 -0.73 0.00 0.00 179.01 179.67 2pa4 n ARG 89 N -4.49 1.98 -3.43 1.92 1.74 -1.18 -4.97 116.66 108.23 2pa4 n ARG 89 Ca 0.05 -1.43 -0.20 0.00 -0.77 0.00 0.00 57.85 55.50 2pa4 n ARG 89 Cb 0.10 -1.34 0.01 0.00 -1.02 0.00 0.00 32.46 30.21 2pa4 n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pa4 n GLY 90 N 1.08 -0.98 2.48 -0.13 0.00 -0.38 -4.95 105.19 102.31 2pa4 n GLY 90 Ca 0.13 0.78 -0.24 0.00 0.00 0.00 0.00 46.02 46.69 2pa4 n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pa4 n LYS 91 N -1.61 1.98 -0.06 1.61 5.02 -0.09 -4.95 118.16 120.06 2pa4 n LYS 91 Ca -0.14 -4.10 0.24 0.00 -2.02 0.00 0.00 58.31 52.30 2pa4 n LYS 91 Cb 0.62 -1.90 0.72 0.00 -0.02 0.00 0.00 35.03 34.44 2pa4 n LYS 91 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2pa4 h THR 92 N 2.27 0.51 -0.02 -0.18 2.02 -1.93 -2.03 112.91 113.55 2pa4 h THR 92 Ca 0.12 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.20 2pa4 h THR 92 Cb 0.74 0.60 0.01 0.00 -1.74 0.00 0.00 68.15 67.76 2pa4 h THR 92 CO 0.67 0.00 -0.39 0.44 0.37 0.00 0.00 175.52 176.60 2pa4 h ASP 93 N 0.00 0.38 -0.79 4.18 3.32 -1.98 -3.25 116.42 118.28 2pa4 h ASP 93 Ca 0.32 -0.74 0.06 0.00 0.02 0.00 0.00 57.03 56.70 2pa4 h ASP 93 Cb 1.41 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.79 2pa4 h ASP 93 CO -0.00 1.06 0.47 1.56 -1.72 0.00 0.00 179.24 180.61 2pa4 h GLN 94 N -0.27 0.83 -0.51 3.56 4.20 -1.80 0.13 115.11 121.25 2pa4 h GLN 94 Ca -0.04 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.68 2pa4 h GLN 94 Cb 1.10 -0.19 -0.06 0.00 0.30 0.00 0.00 27.48 28.64 2pa4 h GLN 94 CO 0.08 0.55 0.20 0.28 -0.67 0.00 0.00 178.83 179.27 2pa4 h VAL 95 N 0.86 0.85 -0.45 -0.54 2.07 -1.56 -0.06 116.25 117.42 2pa4 h VAL 95 Ca 0.35 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.67 2pa4 h VAL 95 Cb 0.19 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2pa4 h VAL 95 CO -0.18 0.07 -0.00 -0.08 0.02 0.00 0.00 177.57 177.40 2pa4 h GLU 96 N 0.39 0.74 -0.18 1.57 4.81 -1.29 -2.43 114.58 118.20 2pa4 h GLU 96 Ca 0.24 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2pa4 h GLU 96 Cb 0.24 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2pa4 h GLU 96 CO -0.23 0.76 -0.02 0.82 -0.73 0.00 0.00 179.01 179.61 2pa4 h ILE 97 N 0.70 0.85 0.00 2.32 2.04 0.71 -0.94 117.51 123.18 2pa4 h ILE 97 Ca 0.14 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.99 2pa4 h ILE 97 Cb 0.43 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2pa4 h ILE 97 CO 0.02 0.01 0.00 2.30 0.00 0.00 0.00 178.15 180.47 2pa4 n ILE 98 N -5.16 0.00 0.00 -0.67 -5.35 -0.25 -2.84 119.36 105.09 2pa4 n ILE 98 Ca -0.03 0.00 0.07 0.00 -0.27 0.00 0.00 62.75 62.52 2pa4 n ILE 98 Cb 0.11 -0.51 -0.11 0.00 -1.74 0.00 0.00 39.64 37.39 2pa4 n ILE 98 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2pa4 n ARG 99 N -0.91 0.45 -0.13 6.28 1.74 -0.47 -4.72 116.66 118.90 2pa4 n ARG 99 Ca 0.16 -0.13 -0.11 0.00 -0.77 0.00 0.00 57.85 57.00 2pa4 n ARG 99 Cb 0.07 -1.34 -0.08 0.00 -1.02 0.00 0.00 32.46 30.10 2pa4 n ARG 99 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2pa4 h ARG 100 N 0.00 -0.28 -0.21 5.56 2.43 -1.09 -1.21 114.38 119.58 2pa4 h ARG 100 Ca 0.00 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2pa4 h ARG 100 Cb 0.64 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.18 2pa4 h ARG 100 CO 0.00 -0.18 -0.39 0.00 -1.51 0.00 0.00 179.97 177.88 2pa4 h ALA 101 N -0.26 -0.47 -0.93 2.80 0.00 -1.84 0.32 119.26 118.88 2pa4 h ALA 101 Ca 0.06 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2pa4 h ALA 101 Cb 0.46 0.76 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 2pa4 h ALA 101 CO -0.50 -0.87 0.60 0.00 0.00 0.00 0.00 179.25 178.49 2pa4 h ALA 102 N 0.31 1.54 -0.12 0.00 0.00 -1.70 -2.65 119.26 116.63 2pa4 h ALA 102 Ca 0.10 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 2pa4 h ALA 102 Cb 0.59 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2pa4 h ALA 102 CO -0.44 0.29 -0.76 -0.44 0.00 0.00 0.00 179.25 177.90 2pa4 h ASP 103 N 1.00 0.88 -0.61 0.00 5.19 -0.74 -3.34 116.42 118.81 2pa4 h ASP 103 Ca 0.42 -0.65 0.09 0.00 -0.62 0.00 0.00 57.03 56.27 2pa4 h ASP 103 Cb 0.31 -0.26 -0.07 0.00 0.18 0.00 0.00 39.33 39.49 2pa4 h ASP 103 CO -0.18 1.39 0.25 -0.07 -3.12 0.00 0.00 179.24 177.52 2pa4 h LEU 104 N 0.44 0.29 -7.16 1.55 3.38 -0.57 -3.46 115.31 109.77 2pa4 h LEU 104 Ca -0.06 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2pa4 h LEU 104 Cb 1.40 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 42.04 2pa4 h LEU 104 CO 0.16 0.17 0.08 -0.51 0.09 0.00 0.00 178.44 178.43 2pa4 s ILE 105 N -6.09 0.03 -0.31 1.22 2.07 -1.21 -4.88 121.20 112.03 2pa4 s ILE 105 Ca -0.13 -0.22 -0.27 0.00 -1.41 0.00 0.00 60.65 58.62 2pa4 s ILE 105 Cb 0.17 -1.03 0.01 0.00 0.13 0.00 0.00 42.46 41.74 2pa4 s ILE 105 CO 0.75 -0.12 0.99 -0.54 -1.91 0.00 0.00 174.94 174.11 2pa4 s LYS 106 N -3.11 4.04 -0.12 3.50 1.02 -0.89 -4.72 119.74 119.47 2pa4 s LYS 106 Ca -0.02 0.95 -0.21 0.00 0.02 0.00 0.00 55.97 56.71 2pa4 s LYS 106 Cb -0.00 -3.73 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 2pa4 s LYS 106 CO -0.07 -0.83 0.61 0.00 -0.92 0.00 0.00 175.35 174.14 2pa4 s ALA 107 N 3.44 3.44 -0.27 5.17 0.00 -1.26 -0.94 121.76 131.34 2pa4 s ALA 107 Ca 0.42 -0.09 -0.00 0.00 0.00 0.00 0.00 51.96 52.28 2pa4 s ALA 107 Cb -0.13 -2.87 0.05 0.00 0.00 0.00 0.00 23.12 20.17 2pa4 s ALA 107 CO 0.14 -0.21 -0.05 0.08 0.00 0.00 0.00 175.76 175.72 2pa4 s VAL 108 N 1.10 2.71 0.31 0.00 1.01 0.32 -4.93 120.40 120.92 2pa4 s VAL 108 Ca 0.31 -1.35 -0.28 0.00 0.00 0.00 0.00 61.98 60.66 2pa4 s VAL 108 Cb -0.16 -2.51 -0.09 0.00 0.00 0.00 0.00 36.38 33.61 2pa4 s VAL 108 CO 0.13 0.01 1.08 -2.16 0.00 0.00 0.00 175.10 174.16 2pa4 s PRO 109 N 1.23 4.51 -0.14 2.72 0.04 -1.26 -0.61 135.00 141.48 2pa4 s PRO 109 Ca -0.05 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 62.69 2pa4 s PRO 109 Cb -0.19 -3.01 0.05 0.00 0.04 0.00 0.00 34.50 31.39 2pa4 s PRO 109 CO -0.03 0.12 0.03 0.08 0.04 0.00 0.00 177.00 177.23 2pa4 s VAL 110 N -1.30 0.41 0.01 -0.36 1.01 -0.21 -4.89 120.40 115.08 2pa4 s VAL 110 Ca 0.48 -0.24 -0.25 0.00 0.00 0.00 0.00 61.98 61.97 2pa4 s VAL 110 Cb -0.29 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 2pa4 s VAL 110 CO 0.37 -0.02 0.76 -0.89 0.00 0.00 0.00 175.10 175.33 2pa4 s THR 111 N 1.93 4.84 -0.40 3.92 2.01 -1.26 -0.50 115.64 126.18 2pa4 s THR 111 Ca 0.02 1.61 -0.01 0.00 0.31 0.00 0.00 61.69 63.62 2pa4 s THR 111 Cb -0.15 -4.11 0.11 0.00 0.01 0.00 0.00 72.50 68.36 2pa4 s THR 111 CO -0.07 0.31 0.17 -1.58 -0.69 0.00 0.00 174.62 172.76 2pa4 s GLN 112 N 0.29 1.86 0.25 4.92 0.74 0.07 -4.92 119.66 122.87 2pa4 s GLN 112 Ca 0.39 -1.89 -0.03 0.00 0.05 0.00 0.00 55.36 53.88 2pa4 s GLN 112 Cb -0.20 -3.47 0.45 0.00 1.10 0.00 0.00 33.01 30.89 2pa4 s GLN 112 CO 0.22 -1.04 1.78 -0.44 -0.55 0.00 0.00 175.29 175.27 2pa4 h ASP 113 N 7.83 0.57 -4.26 6.67 3.32 -1.96 -3.40 116.42 125.20 2pa4 h ASP 113 Ca -0.10 0.07 -0.40 0.00 0.02 0.00 0.00 57.03 56.62 2pa4 h ASP 113 Cb 1.03 -0.03 -0.26 0.00 0.22 0.00 0.00 39.33 40.29 2pa4 h ASP 113 CO 0.64 0.29 -0.78 -0.54 -1.72 0.00 0.00 179.24 177.13 2pa4 s LYS 114 N -6.01 0.80 -1.35 3.56 1.02 -1.26 -4.77 119.74 111.74 2pa4 s LYS 114 Ca -0.12 -0.57 -0.16 0.00 0.02 0.00 0.00 55.97 55.14 2pa4 s LYS 114 Cb 0.20 -0.77 0.03 0.00 -0.52 0.00 0.00 37.83 36.78 2pa4 s LYS 114 CO 0.78 0.20 2.03 -0.35 -0.92 0.00 0.00 175.35 177.08 2pa4 n PRO 115 N 2.27 2.85 0.00 -1.68 -0.04 -1.26 -4.73 135.00 132.41 2pa4 n PRO 115 Ca -0.17 -2.80 0.11 0.00 -0.04 0.00 0.00 63.50 60.61 2pa4 n PRO 115 Cb 0.56 -3.36 0.52 0.00 -0.04 0.00 0.00 33.50 31.17 2pa4 n PRO 115 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2pa4 n LEU 116 N 7.29 0.00 0.00 1.53 4.77 -1.26 -4.96 117.00 124.37 2pa4 n LEU 116 Ca 0.51 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 2pa4 n LEU 116 Cb 0.42 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2pa4 n LEU 116 CO 0.85 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 2pa4 n GLY 117 N 0.76 4.07 0.18 -0.72 0.00 -1.26 -0.95 105.19 107.26 2pa4 n GLY 117 Ca 0.07 -1.51 -0.03 0.00 0.00 0.00 0.00 46.02 44.55 2pa4 n GLY 117 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pa4 h LEU 118 N 0.00 0.22 -0.09 0.99 5.85 -1.89 -0.74 115.31 119.65 2pa4 h LEU 118 Ca 0.00 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 2pa4 h LEU 118 Cb 0.00 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2pa4 h LEU 118 CO 0.00 0.69 -0.17 1.23 -0.34 0.00 0.00 178.44 179.85 2pa4 h GLY 119 N 1.38 0.30 0.46 3.75 0.00 -1.08 -1.32 103.07 106.56 2pa4 h GLY 119 Ca 0.00 -0.36 0.07 0.00 0.00 0.00 0.00 47.33 47.04 2pa4 h GLY 119 CO 0.08 0.32 0.06 0.84 0.00 0.00 0.00 176.54 177.83 2pa4 h HIS 120 N -0.18 0.08 -0.34 5.60 -0.00 -1.44 -0.68 115.15 118.19 2pa4 h HIS 120 Ca 0.00 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.45 2pa4 h HIS 120 Cb 0.76 0.02 -0.05 0.00 -0.00 0.00 0.00 27.41 28.14 2pa4 h HIS 120 CO 0.11 -0.02 0.05 0.00 -0.00 0.00 0.00 177.93 178.07 2pa4 h ALA 121 N 1.32 0.35 -0.83 5.26 0.00 -1.06 -0.68 119.26 123.62 2pa4 h ALA 121 Ca 0.19 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.20 2pa4 h ALA 121 Cb 0.25 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2pa4 h ALA 121 CO -0.28 -0.36 0.55 0.28 0.00 0.00 0.00 179.25 179.44 2pa4 h VAL 122 N 0.16 1.19 -0.50 0.00 2.07 -0.76 -1.89 116.25 116.52 2pa4 h VAL 122 Ca 0.16 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.34 2pa4 h VAL 122 Cb 0.20 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 2pa4 h VAL 122 CO -0.24 0.20 0.33 1.23 0.02 0.00 0.00 177.57 179.12 2pa4 h GLY 123 N 1.10 0.63 2.00 2.17 0.00 0.42 -1.76 103.07 107.63 2pa4 h GLY 123 Ca 0.31 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 2pa4 h GLY 123 CO -0.07 0.19 -0.02 1.41 0.00 0.00 0.00 176.54 178.05 2pa4 h LEU 124 N 0.55 0.00 -0.29 3.11 3.38 -0.94 -1.89 115.31 119.24 2pa4 h LEU 124 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2pa4 h LEU 124 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2pa4 h LEU 124 CO -0.05 0.02 -0.06 0.00 0.09 0.00 0.00 178.44 178.43 2pa4 n ALA 125 N -2.15 2.70 -0.05 1.53 0.00 -0.66 -4.33 120.51 117.55 2pa4 n ALA 125 Ca -0.02 -0.28 -0.10 0.00 0.00 0.00 0.00 53.44 53.04 2pa4 n ALA 125 Cb 0.13 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.18 2pa4 n ALA 125 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2pa4 h GLU 126 N 0.71 -0.37 -0.08 0.00 4.81 -1.48 -1.90 114.58 116.27 2pa4 h GLU 126 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2pa4 h GLU 126 Cb 0.29 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2pa4 h GLU 126 CO 0.00 -0.24 0.00 -1.13 -0.73 0.00 0.00 179.01 176.91 2pa4 n SER 127 N -5.42 0.08 -0.00 1.04 3.41 -1.26 -2.48 113.62 108.98 2pa4 n SER 127 Ca -0.02 -1.31 0.05 0.00 -0.26 0.00 0.00 58.87 57.32 2pa4 n SER 127 Cb 0.34 -0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.18 2pa4 n SER 127 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2pa4 n VAL 128 N -0.42 0.00 -2.57 -3.33 0.31 -0.72 -4.99 118.33 106.61 2pa4 n VAL 128 Ca 0.00 -0.24 -0.33 0.00 -0.01 0.00 0.00 64.34 63.77 2pa4 n VAL 128 Cb 0.02 0.44 -0.05 0.00 -0.91 0.00 0.00 33.84 33.34 2pa4 n VAL 128 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2pa4 s LEU 129 N -3.41 3.76 0.53 7.52 1.43 -1.04 -5.04 118.68 122.44 2pa4 s LEU 129 Ca -0.02 1.64 -0.08 0.00 -1.03 0.00 0.00 54.13 54.65 2pa4 s LEU 129 Cb 0.07 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.72 2pa4 s LEU 129 CO 0.41 -0.52 0.88 -1.81 0.23 0.00 0.00 176.35 175.53 2pa4 s ASP 130 N -2.64 6.27 0.40 2.29 1.01 -1.26 -4.96 116.67 117.78 2pa4 s ASP 130 Ca 0.61 1.12 0.13 0.00 0.71 0.00 0.00 52.55 55.12 2pa4 s ASP 130 Cb -0.10 -2.33 0.82 0.00 1.01 0.00 0.00 42.92 42.31 2pa4 s ASP 130 CO 0.23 -0.67 1.88 0.44 0.21 0.00 0.00 175.17 177.26 2pa4 h ASP 131 N 0.09 0.00 -0.49 0.27 3.32 -1.98 -2.80 116.42 114.82 2pa4 h ASP 131 Ca -0.46 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.68 2pa4 h ASP 131 Cb 1.20 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.67 2pa4 h ASP 131 CO 0.62 0.31 0.03 0.44 -1.72 0.00 0.00 179.24 178.92 2pa4 h ASP 132 N 0.00 -0.14 -2.49 6.45 3.32 -2.04 -3.42 116.42 118.09 2pa4 h ASP 132 Ca -0.00 0.11 -0.53 0.00 0.02 0.00 0.00 57.03 56.63 2pa4 h ASP 132 Cb 0.55 0.18 0.03 0.00 0.22 0.00 0.00 39.33 40.31 2pa4 h ASP 132 CO 0.04 -0.04 1.14 -1.61 -1.72 0.00 0.00 179.24 177.05 2pa4 s GLU 133 N -6.16 4.14 0.06 3.56 2.02 -1.06 -4.94 118.70 116.33 2pa4 s GLU 133 Ca -0.13 2.59 0.22 0.00 0.02 0.00 0.00 54.97 57.66 2pa4 s GLU 133 Cb 0.16 -3.77 -0.16 0.00 0.10 0.00 0.00 34.13 30.46 2pa4 s GLU 133 CO 0.72 -0.87 0.77 -0.25 0.02 0.00 0.00 175.26 175.65 2pa4 n ASP 134 N 6.25 0.42 -4.27 -0.19 8.00 -1.26 -4.90 116.55 120.60 2pa4 n ASP 134 Ca 0.18 0.04 -0.15 0.00 0.71 0.00 0.00 54.79 55.58 2pa4 n ASP 134 Cb 0.39 1.25 -0.10 0.00 -0.02 0.00 0.00 41.12 42.64 2pa4 n ASP 134 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2pa4 s VAL 135 N -3.40 1.26 -0.47 2.53 0.11 -1.26 -4.26 120.40 114.92 2pa4 s VAL 135 Ca -0.03 -2.09 -0.06 0.00 -2.93 0.00 0.00 61.98 56.87 2pa4 s VAL 135 Cb 0.13 -1.90 0.12 0.00 -1.53 0.00 0.00 36.38 33.20 2pa4 s VAL 135 CO 0.85 -0.70 0.30 -0.69 -3.33 0.00 0.00 175.10 171.53 2pa4 s VAL 136 N -3.27 3.79 -0.12 2.04 1.01 0.10 -4.93 120.40 119.02 2pa4 s VAL 136 Ca 0.18 -2.03 -0.25 0.00 0.00 0.00 0.00 61.98 59.88 2pa4 s VAL 136 Cb 0.02 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2pa4 s VAL 136 CO 0.02 -0.76 0.78 0.00 0.00 0.00 0.00 175.10 175.14 2pa4 s ALA 137 N 1.11 3.43 -0.10 5.51 0.00 -1.26 -1.09 121.76 129.35 2pa4 s ALA 137 Ca 0.08 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.15 2pa4 s ALA 137 Cb -0.24 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 19.77 2pa4 s ALA 137 CO -0.03 -0.42 -0.19 0.08 0.00 0.00 0.00 175.76 175.20 2pa4 s VAL 138 N 1.57 1.77 -0.12 0.00 1.01 -0.31 -0.46 120.40 123.86 2pa4 s VAL 138 Ca 0.38 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2pa4 s VAL 138 Cb -0.17 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.66 2pa4 s VAL 138 CO 0.15 0.49 -0.16 -0.04 0.00 0.00 0.00 175.10 175.55 2pa4 s MET 139 N 0.65 2.35 -0.19 2.72 -1.94 -0.67 -1.61 119.30 120.61 2pa4 s MET 139 Ca -0.13 -0.60 -0.24 0.00 -1.71 0.00 0.00 55.69 53.01 2pa4 s MET 139 Cb -0.16 -2.02 -0.01 0.00 2.01 0.00 0.00 34.83 34.64 2pa4 s MET 139 CO 0.03 -0.11 0.80 -0.51 -0.01 0.00 0.00 175.02 175.22 2pa4 s LEU 140 N 1.10 4.15 0.00 -0.03 1.43 -0.12 -4.30 118.68 120.92 2pa4 s LEU 140 Ca -0.03 1.09 0.11 0.00 -1.03 0.00 0.00 54.13 54.27 2pa4 s LEU 140 Cb -0.14 -3.17 0.67 0.00 0.03 0.00 0.00 46.19 43.58 2pa4 s LEU 140 CO -0.04 -0.40 1.11 -0.81 0.23 0.00 0.00 176.35 176.45 2pa4 n PRO 141 N 5.33 0.51 -0.42 1.29 -0.04 -1.26 -2.52 135.00 137.89 2pa4 n PRO 141 Ca 0.04 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.56 2pa4 n PRO 141 Cb 0.49 -1.34 0.21 0.00 -0.04 0.00 0.00 33.50 32.81 2pa4 n PRO 141 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2pa4 n ASP 142 N -0.84 2.98 -3.71 3.54 5.75 -1.26 -3.67 116.55 119.33 2pa4 n ASP 142 Ca 0.08 -3.26 -0.15 0.00 -0.01 0.00 0.00 54.79 51.45 2pa4 n ASP 142 Cb 0.04 -0.53 -0.15 0.00 -1.03 0.00 0.00 41.12 39.45 2pa4 n ASP 142 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2pa4 s ASP 143 N -2.44 0.31 -0.16 -1.12 -1.08 -1.05 -0.46 116.67 110.67 2pa4 s ASP 143 Ca 0.39 0.29 -0.04 0.00 -0.52 0.00 0.00 52.55 52.67 2pa4 s ASP 143 Cb 0.34 0.19 -0.03 0.00 -1.46 0.00 0.00 42.92 41.96 2pa4 s ASP 143 CO 0.04 -0.19 -0.03 -0.76 0.52 0.00 0.00 175.17 174.75 2pa4 s LEU 144 N 1.68 3.26 -0.27 -1.34 1.43 0.58 -4.82 118.68 119.20 2pa4 s LEU 144 Ca -0.03 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2pa4 s LEU 144 Cb -0.12 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.35 2pa4 s LEU 144 CO -0.06 0.16 -0.04 -0.69 0.23 0.00 0.00 176.35 175.95 2pa4 s VAL 145 N 0.45 2.89 0.04 -1.59 1.01 -1.26 -0.57 120.40 121.36 2pa4 s VAL 145 Ca -0.03 -1.22 0.09 0.00 0.00 0.00 0.00 61.98 60.82 2pa4 s VAL 145 Cb -0.14 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 2pa4 s VAL 145 CO 0.03 0.05 -0.26 -0.76 0.00 0.00 0.00 175.10 174.16 2pa4 s LEU 146 N 1.28 2.16 0.83 3.92 1.43 -0.64 -3.63 118.68 124.04 2pa4 s LEU 146 Ca -0.03 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 2pa4 s LEU 146 Cb -0.18 -1.26 0.09 0.00 0.03 0.00 0.00 46.19 44.86 2pa4 s LEU 146 CO -0.03 0.25 1.11 -2.16 0.23 0.00 0.00 176.35 175.75 2pa4 s PRO 147 N -1.21 1.80 0.61 1.29 0.04 -1.26 -2.78 135.00 133.49 2pa4 s PRO 147 Ca 0.11 0.57 -0.19 0.00 0.04 0.00 0.00 61.00 61.54 2pa4 s PRO 147 Cb -0.10 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2pa4 s PRO 147 CO 0.02 -1.80 1.27 0.95 0.04 0.00 0.00 177.00 177.47 2pa4 s THR 148 N -3.17 2.30 0.00 1.26 -4.23 -1.24 -4.45 115.64 106.11 2pa4 s THR 148 Ca 0.62 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 2pa4 s THR 148 Cb -0.15 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.61 2pa4 s THR 148 CO 0.54 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 2pa4 n GLY 149 N 0.72 0.08 0.28 3.99 0.00 -1.26 -5.02 105.19 103.97 2pa4 n GLY 149 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 2pa4 n GLY 149 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2pa4 h VAL 150 N 0.00 1.06 -0.26 1.61 3.04 -1.90 -2.04 116.25 117.76 2pa4 h VAL 150 Ca 0.00 -0.16 -0.09 0.00 -1.01 0.00 0.00 66.70 65.45 2pa4 h VAL 150 Cb 0.00 0.81 -0.01 0.00 -2.01 0.00 0.00 31.29 30.08 2pa4 h VAL 150 CO 0.00 0.07 -0.21 0.24 -1.01 0.00 0.00 177.57 176.65 2pa4 h MET 151 N 0.25 0.48 -0.44 4.17 2.86 -1.97 -0.64 114.93 119.64 2pa4 h MET 151 Ca 0.07 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2pa4 h MET 151 Cb 0.01 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 2pa4 h MET 151 CO -0.01 0.67 0.26 0.93 1.06 0.00 0.00 176.91 179.81 2pa4 h GLU 152 N 0.43 0.60 -0.21 1.72 5.08 -1.80 -0.30 114.58 120.10 2pa4 h GLU 152 Ca 0.07 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2pa4 h GLU 152 Cb 0.61 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2pa4 h GLU 152 CO 0.04 0.45 0.06 0.00 -1.00 0.00 0.00 179.01 178.56 2pa4 h ARG 153 N 0.58 0.33 -0.80 2.33 3.08 -1.33 -2.74 114.38 115.83 2pa4 h ARG 153 Ca 0.16 -0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.22 2pa4 h ARG 153 Cb 0.01 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 2pa4 h ARG 153 CO -0.03 0.44 0.52 0.52 -1.07 0.00 0.00 179.97 180.35 2pa4 h MET 154 N 0.16 0.74 -0.20 0.04 2.86 -0.87 -1.26 114.93 116.39 2pa4 h MET 154 Ca 0.07 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2pa4 h MET 154 Cb 0.25 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2pa4 h MET 154 CO -0.00 0.49 0.09 0.00 1.06 0.00 0.00 176.91 178.55 2pa4 h ALA 155 N 1.59 0.25 -0.54 6.32 0.00 -0.77 -1.59 119.26 124.53 2pa4 h ALA 155 Ca 0.36 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.29 2pa4 h ALA 155 Cb 0.41 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 2pa4 h ALA 155 CO -0.14 -0.19 0.09 1.96 0.00 0.00 0.00 179.25 180.97 2pa4 h GLN 156 N 0.19 0.21 -0.75 0.00 4.20 -1.01 -0.05 115.11 117.90 2pa4 h GLN 156 Ca 0.07 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.79 2pa4 h GLN 156 Cb 0.12 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 2pa4 h GLN 156 CO -0.01 0.14 0.48 0.28 -0.67 0.00 0.00 178.83 179.05 2pa4 h VAL 157 N 0.21 1.12 -0.36 -0.54 2.07 -1.05 -1.88 116.25 115.83 2pa4 h VAL 157 Ca 0.28 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 2pa4 h VAL 157 Cb 0.40 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2pa4 h VAL 157 CO -0.38 0.17 0.04 -0.09 0.02 0.00 0.00 177.57 177.34 2pa4 h ARG 158 N 0.94 0.60 -0.29 1.57 2.43 -0.28 -2.18 114.38 117.17 2pa4 h ARG 158 Ca 0.30 -0.17 0.07 0.00 -0.81 0.00 0.00 59.98 59.36 2pa4 h ARG 158 Cb -0.00 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.41 2pa4 h ARG 158 CO -0.10 0.68 -0.22 0.00 -1.51 0.00 0.00 179.97 178.82 2pa4 h ALA 159 N 0.89 -0.05 -0.02 2.80 0.00 -0.76 2.72 119.26 124.84 2pa4 h ALA 159 Ca 0.11 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2pa4 h ALA 159 Cb 0.38 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2pa4 h ALA 159 CO 0.01 -0.63 0.00 -0.85 0.00 0.00 0.00 179.25 177.78 2pa4 n GLU 160 N -5.37 1.05 0.00 0.00 0.28 -0.73 -3.84 120.64 112.03 2pa4 n GLU 160 Ca 0.00 -0.08 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 2pa4 n GLU 160 Cb 0.28 -1.02 0.00 0.00 1.43 0.00 0.00 31.44 32.13 2pa4 n GLU 160 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2pa4 n PHE 161 N -0.43 0.00 -1.47 -1.84 3.01 -0.74 -5.05 117.46 110.93 2pa4 n PHE 161 Ca 0.01 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.65 2pa4 n PHE 161 Cb 0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.41 2pa4 n PHE 161 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pa4 n GLY 162 N 0.00 -2.85 0.54 1.37 0.00 0.91 -4.93 105.19 100.22 2pa4 n GLY 162 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2pa4 n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pa4 n GLY 163 N -4.35 0.37 3.35 -0.02 0.00 -1.26 -4.83 105.19 98.45 2pa4 n GLY 163 Ca -0.06 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 2pa4 n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pa4 s SER 164 N -4.00 3.23 -0.06 1.61 0.01 0.14 -3.69 113.70 110.94 2pa4 s SER 164 Ca 0.00 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.78 2pa4 s SER 164 Cb 0.00 -0.37 0.02 0.00 0.21 0.00 0.00 66.02 65.87 2pa4 s SER 164 CO 0.00 0.29 -0.09 -0.69 0.41 0.00 0.00 173.24 173.16 2pa4 s VAL 165 N -0.73 0.89 0.37 3.43 1.01 -0.07 -2.13 120.40 123.18 2pa4 s VAL 165 Ca 0.11 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.86 2pa4 s VAL 165 Cb -0.10 -0.86 -0.07 0.00 0.00 0.00 0.00 36.38 35.35 2pa4 s VAL 165 CO 0.01 0.31 -0.02 -0.76 0.00 0.00 0.00 175.10 174.64 2pa4 s LEU 166 N 0.90 2.86 -0.10 3.92 1.02 -0.69 -0.73 118.68 125.87 2pa4 s LEU 166 Ca -0.11 -1.21 0.04 0.00 0.02 0.00 0.00 54.13 52.87 2pa4 s LEU 166 Cb -0.15 -1.07 0.00 0.00 0.02 0.00 0.00 46.19 45.00 2pa4 s LEU 166 CO 0.01 -0.32 -0.23 0.00 0.02 0.00 0.00 176.35 175.83 2pa4 s ALA 168 N 0.37 2.83 0.02 0.00 0.00 -0.16 -1.01 121.76 123.80 2pa4 s ALA 168 Ca -0.18 -1.87 0.01 0.00 0.00 0.00 0.00 51.96 49.92 2pa4 s ALA 168 Cb -0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 2pa4 s ALA 168 CO 0.08 0.26 -0.04 0.14 0.00 0.00 0.00 175.76 176.20 2pa4 s VAL 169 N -2.49 0.29 0.32 0.00 -7.23 -0.24 -0.87 120.40 110.18 2pa4 s VAL 169 Ca 0.30 -0.64 -0.28 0.00 -1.81 0.00 0.00 61.98 59.56 2pa4 s VAL 169 Cb -0.05 -0.34 -0.09 0.00 0.56 0.00 0.00 36.38 36.46 2pa4 s VAL 169 CO 0.16 -0.23 1.10 -0.70 -0.31 0.00 0.00 175.10 175.12 2pa4 s GLU 170 N -0.93 4.48 0.05 4.82 2.12 -1.26 -1.57 118.70 126.41 2pa4 s GLU 170 Ca -0.07 1.77 0.01 0.00 0.36 0.00 0.00 54.97 57.04 2pa4 s GLU 170 Cb -0.06 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.29 2pa4 s GLU 170 CO -0.00 0.08 -0.05 0.08 -0.54 0.00 0.00 175.26 174.82 2pa4 s VAL 171 N -1.28 0.38 0.74 3.70 1.01 -0.03 -4.92 120.40 120.01 2pa4 s VAL 171 Ca 0.48 -1.36 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 2pa4 s VAL 171 Cb -0.30 -0.92 0.04 0.00 0.00 0.00 0.00 36.38 35.19 2pa4 s VAL 171 CO 0.39 -0.65 1.09 -0.44 0.00 0.00 0.00 175.10 175.49 2pa4 s SER 172 N -2.13 4.73 0.25 3.32 0.01 -1.26 -4.83 113.70 113.79 2pa4 s SER 172 Ca -0.04 1.83 -0.03 0.00 1.31 0.00 0.00 55.95 59.02 2pa4 s SER 172 Cb -0.03 -2.52 0.51 0.00 0.21 0.00 0.00 66.02 64.19 2pa4 s SER 172 CO -0.03 -1.89 1.69 -0.33 0.41 0.00 0.00 173.24 173.10 2pa4 h GLU 173 N -0.87 0.31 -0.31 12.44 5.08 -2.00 -1.11 114.58 128.12 2pa4 h GLU 173 Ca -0.44 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 57.99 2pa4 h GLU 173 Cb 1.23 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2pa4 h GLU 173 CO 0.52 0.21 0.33 0.00 -1.00 0.00 0.00 179.01 179.07 2pa4 h ALA 174 N 1.62 2.00 -0.01 3.43 0.00 -2.04 -2.99 119.26 121.28 2pa4 h ALA 174 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2pa4 h ALA 174 Cb 0.76 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2pa4 h ALA 174 CO -0.50 -0.49 -0.39 -0.25 0.00 0.00 0.00 179.25 177.62 2pa4 n ASP 175 N -3.80 1.58 -0.31 0.00 8.00 -0.43 -4.69 116.55 116.89 2pa4 n ASP 175 Ca 0.05 -1.29 0.01 0.00 0.71 0.00 0.00 54.79 54.27 2pa4 n ASP 175 Cb 0.48 0.52 0.19 0.00 -0.02 0.00 0.00 41.12 42.30 2pa4 n ASP 175 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 2pa4 h VAL 176 N 1.67 1.16 0.00 2.53 -1.51 -1.45 -2.86 116.25 115.80 2pa4 h VAL 176 Ca 0.00 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 2pa4 h VAL 176 Cb 0.55 -0.09 0.00 0.00 -2.13 0.00 0.00 31.29 29.62 2pa4 h VAL 176 CO 0.00 0.21 0.00 0.28 -1.23 0.00 0.00 177.57 176.83 2pa4 h SER 177 N 1.15 0.00 0.35 4.19 0.02 -1.82 -2.45 113.55 114.99 2pa4 h SER 177 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 2pa4 h SER 177 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2pa4 h SER 177 CO -0.11 0.00 -0.44 0.29 -1.14 0.00 0.00 176.83 175.43 2pa4 n LYS 178 N -2.45 0.35 -4.37 3.45 5.02 -1.08 -4.39 118.16 114.71 2pa4 n LYS 178 Ca -0.00 -0.22 -0.21 0.00 -2.02 0.00 0.00 58.31 55.86 2pa4 n LYS 178 Cb 0.12 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.55 2pa4 n LYS 178 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2pa4 s TYR 179 N -2.80 1.68 -0.01 2.13 4.12 -0.92 -4.86 117.35 116.69 2pa4 s TYR 179 Ca 0.16 -1.42 -0.26 0.00 0.02 0.00 0.00 57.07 55.56 2pa4 s TYR 179 Cb 0.18 -0.89 -0.04 0.00 -1.52 0.00 0.00 41.96 39.69 2pa4 s TYR 179 CO 0.64 -0.55 0.82 0.20 0.02 0.00 0.00 175.55 176.68 2pa4 s GLY 180 N -3.43 2.78 -0.09 0.71 0.00 -1.26 -0.50 107.32 105.53 2pa4 s GLY 180 Ca 0.34 0.33 0.04 0.00 0.00 0.00 0.00 44.72 45.43 2pa4 s GLY 180 CO 0.19 1.36 -0.21 -0.42 0.00 0.00 0.00 173.10 174.02 2pa4 s ILE 181 N 0.66 2.40 0.39 0.90 -1.09 0.33 -0.08 121.20 124.71 2pa4 s ILE 181 Ca 0.43 -0.92 -0.08 0.00 -2.23 0.00 0.00 60.65 57.85 2pa4 s ILE 181 Cb -0.20 -1.93 -0.06 0.00 -1.58 0.00 0.00 42.46 38.70 2pa4 s ILE 181 CO 0.23 0.56 0.72 -0.36 -1.23 0.00 0.00 174.94 174.86 2pa4 s PHE 182 N 0.04 3.49 -0.29 3.97 0.40 -0.57 -1.29 117.98 123.72 2pa4 s PHE 182 Ca -0.08 0.89 -0.02 0.00 -0.60 0.00 0.00 56.93 57.12 2pa4 s PHE 182 Cb -0.15 -2.32 0.04 0.00 0.51 0.00 0.00 43.02 41.10 2pa4 s PHE 182 CO 0.05 -0.06 -0.00 -2.00 0.70 0.00 0.00 175.22 173.91 2pa4 s GLU 183 N -3.95 2.52 0.32 0.44 2.12 0.42 -3.75 118.70 116.82 2pa4 s GLU 183 Ca 0.49 -1.21 -0.27 0.00 0.36 0.00 0.00 54.97 54.34 2pa4 s GLU 183 Cb -0.10 -3.17 -0.09 0.00 0.26 0.00 0.00 34.13 31.02 2pa4 s GLU 183 CO 0.33 -0.58 1.02 0.42 -0.54 0.00 0.00 175.26 175.91 2pa4 s ILE 184 N 1.28 3.81 -0.12 -3.70 1.01 -1.26 -0.45 121.20 121.78 2pa4 s ILE 184 Ca -0.04 1.63 -0.06 0.00 0.00 0.00 0.00 60.65 62.18 2pa4 s ILE 184 Cb -0.19 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 2pa4 s ILE 184 CO -0.01 0.24 -0.15 1.21 0.00 0.00 0.00 174.94 176.22 2pa4 n GLU 185 N 0.75 0.25 -3.61 2.79 2.13 -0.71 -4.70 120.64 117.55 2pa4 n GLU 185 Ca 0.01 0.11 -0.10 0.00 0.66 0.00 0.00 57.16 57.84 2pa4 n GLU 185 Cb 0.48 -0.93 -0.03 0.00 0.27 0.00 0.00 31.44 31.23 2pa4 n GLU 185 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2pa4 s ALA 186 N -2.22 -1.28 0.68 4.31 0.00 -1.13 -5.00 121.76 117.12 2pa4 s ALA 186 Ca -0.17 0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.89 2pa4 s ALA 186 Cb 0.06 0.85 0.12 0.00 0.00 0.00 0.00 23.12 24.16 2pa4 s ALA 186 CO 0.21 -0.82 0.85 -0.25 0.00 0.00 0.00 175.76 175.76 2pa4 n ASP 187 N -0.37 1.20 -1.84 0.00 8.00 -1.26 -0.64 116.55 121.64 2pa4 n ASP 187 Ca -0.13 -2.00 -0.07 0.00 0.71 0.00 0.00 54.79 53.30 2pa4 n ASP 187 Cb 0.63 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 2pa4 n ASP 187 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2pa4 n THR 188 N -2.63 0.00 0.09 -3.53 -2.24 -1.15 -4.73 114.28 100.08 2pa4 n THR 188 Ca 0.14 -0.91 0.19 0.00 -2.27 0.00 0.00 64.05 61.21 2pa4 n THR 188 Cb 0.51 0.46 0.74 0.00 -2.10 0.00 0.00 70.33 69.94 2pa4 n THR 188 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2pa4 h LYS 189 N 0.00 0.00 -5.49 -0.78 3.64 -2.01 -3.39 116.57 108.53 2pa4 h LYS 189 Ca -0.09 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.64 2pa4 h LYS 189 Cb 0.45 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.05 2pa4 h LYS 189 CO 0.13 0.00 -0.70 -0.51 -2.27 0.00 0.00 179.45 176.10 2pa4 s ASP 190 N -5.87 4.58 0.54 4.20 1.01 -1.26 -5.01 116.67 114.86 2pa4 s ASP 190 Ca -0.05 -0.15 0.23 0.00 0.71 0.00 0.00 52.55 53.29 2pa4 s ASP 190 Cb 0.17 -1.61 1.50 0.00 1.01 0.00 0.00 42.92 43.99 2pa4 s ASP 190 CO 0.63 0.21 2.17 0.77 0.21 0.00 0.00 175.17 179.16 2pa4 h SER 191 N 6.37 0.00 0.92 0.27 4.64 -2.02 -2.35 113.55 121.38 2pa4 h SER 191 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2pa4 h SER 191 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2pa4 h SER 191 CO 0.59 0.04 -0.08 -0.90 -0.87 0.00 0.00 176.83 175.61 2pa4 n ASP 192 N -4.10 0.08 -4.23 4.97 5.75 -1.26 -4.78 116.55 112.97 2pa4 n ASP 192 Ca -0.03 0.38 -0.34 0.00 -0.01 0.00 0.00 54.79 54.79 2pa4 n ASP 192 Cb 0.13 -0.38 -0.15 0.00 -1.03 0.00 0.00 41.12 39.69 2pa4 n ASP 192 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2pa4 s VAL 193 N -3.00 2.92 0.08 2.12 1.01 -0.89 0.15 120.40 122.80 2pa4 s VAL 193 Ca 0.14 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.45 2pa4 s VAL 193 Cb 0.19 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2pa4 s VAL 193 CO 0.56 0.39 -0.21 -0.54 0.00 0.00 0.00 175.10 175.29 2pa4 s LYS 194 N 1.39 1.27 0.13 2.72 -0.14 -0.98 -2.95 119.74 121.19 2pa4 s LYS 194 Ca 0.04 -1.08 -0.18 0.00 -1.36 0.00 0.00 55.97 53.39 2pa4 s LYS 194 Cb -0.15 -1.49 -0.07 0.00 -1.68 0.00 0.00 37.83 34.45 2pa4 s LYS 194 CO -0.06 0.36 0.60 0.21 -0.76 0.00 0.00 175.35 175.71 2pa4 s LYS 195 N -1.59 4.15 0.08 1.68 2.20 0.19 -1.33 119.74 125.12 2pa4 s LYS 195 Ca 0.07 0.70 0.06 0.00 -0.36 0.00 0.00 55.97 56.44 2pa4 s LYS 195 Cb -0.09 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.13 2pa4 s LYS 195 CO 0.03 0.53 -0.07 0.14 -0.36 0.00 0.00 175.35 175.62 2pa4 s VAL 196 N -1.32 3.59 -0.69 4.02 -7.23 0.81 -1.74 120.40 117.83 2pa4 s VAL 196 Ca 0.35 -1.11 0.09 0.00 -1.81 0.00 0.00 61.98 59.50 2pa4 s VAL 196 Cb -0.17 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 2pa4 s VAL 196 CO 0.20 0.17 0.52 1.17 -0.31 0.00 0.00 175.10 176.84 2pa4 n LYS 197 N 0.82 2.77 -3.61 4.82 4.81 0.41 -4.64 118.16 123.55 2pa4 n LYS 197 Ca -0.13 -0.40 -0.03 0.00 -0.87 0.00 0.00 58.31 56.88 2pa4 n LYS 197 Cb 0.52 -1.00 -0.02 0.00 0.02 0.00 0.00 35.03 34.55 2pa4 n LYS 197 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2pa4 s GLY 198 N -1.42 -0.28 -0.06 3.14 0.00 -1.18 -4.85 107.32 102.67 2pa4 s GLY 198 Ca 0.06 1.59 -0.03 0.00 0.00 0.00 0.00 44.72 46.34 2pa4 s GLY 198 CO 0.26 0.52 0.14 -0.29 0.00 0.00 0.00 173.10 173.73 2pa4 s MET 199 N -2.32 0.11 -0.04 2.90 1.75 -1.26 -0.43 119.30 120.01 2pa4 s MET 199 Ca 0.10 0.32 0.04 0.00 -1.25 0.00 0.00 55.69 54.90 2pa4 s MET 199 Cb -0.00 -0.10 -0.00 0.00 2.84 0.00 0.00 34.83 37.56 2pa4 s MET 199 CO -0.04 -0.12 -0.15 0.54 -0.65 0.00 0.00 175.02 174.60 2pa4 s VAL 200 N 0.84 1.26 -0.28 10.11 0.11 -0.41 -4.77 120.40 127.25 2pa4 s VAL 200 Ca -0.06 -0.63 -0.22 0.00 -2.93 0.00 0.00 61.98 58.14 2pa4 s VAL 200 Cb -0.08 -1.08 -0.01 0.00 -1.53 0.00 0.00 36.38 33.68 2pa4 s VAL 200 CO -0.04 0.37 0.72 -0.70 -3.33 0.00 0.00 175.10 172.11 2pa4 s GLU 201 N 0.03 4.02 -1.32 1.54 2.56 -1.26 -0.51 118.70 123.76 2pa4 s GLU 201 Ca -0.02 0.57 -0.00 0.00 0.00 0.00 0.00 54.97 55.51 2pa4 s GLU 201 Cb -0.10 -3.70 -0.00 0.00 2.00 0.00 0.00 34.13 32.33 2pa4 s GLU 201 CO 0.01 -0.56 0.67 1.63 -0.56 0.00 0.00 175.26 176.45 2pa4 n LYS 202 N 5.98 -4.71 -1.53 4.30 5.02 0.34 -4.87 118.16 122.70 2pa4 n LYS 202 Ca 0.02 0.60 -0.32 0.00 -2.02 0.00 0.00 58.31 56.59 2pa4 n LYS 202 Cb 0.48 -5.10 0.07 0.00 -0.02 0.00 0.00 35.03 30.46 2pa4 n LYS 202 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2pa4 s PRO 203 N -6.03 2.58 0.71 1.97 0.04 -1.26 -4.81 135.00 128.20 2pa4 s PRO 203 Ca 0.00 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 62.17 2pa4 s PRO 203 Cb -0.00 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.63 2pa4 s PRO 203 CO 0.82 -1.40 1.09 0.00 0.04 0.00 0.00 177.00 177.55 2pa4 s ALA 204 N -2.66 2.41 0.17 8.56 0.00 -1.26 -3.70 121.76 125.28 2pa4 s ALA 204 Ca 0.63 0.35 -0.18 0.00 0.00 0.00 0.00 51.96 52.76 2pa4 s ALA 204 Cb -0.18 -3.27 0.09 0.00 0.00 0.00 0.00 23.12 19.75 2pa4 s ALA 204 CO 0.49 -1.47 1.65 0.82 0.00 0.00 0.00 175.76 177.25 2pa4 h ILE 205 N -0.58 0.50 -0.91 0.00 2.04 -1.95 -1.74 117.51 114.87 2pa4 h ILE 205 Ca -0.45 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.55 2pa4 h ILE 205 Cb 1.23 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.74 2pa4 h ILE 205 CO 0.53 0.00 0.58 1.05 0.00 0.00 0.00 178.15 180.32 2pa4 h GLU 206 N -0.08 0.71 -0.00 2.37 9.09 -2.00 -2.56 114.58 122.10 2pa4 h GLU 206 Ca 0.19 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.56 2pa4 h GLU 206 Cb 0.37 -0.16 0.00 0.00 -1.65 0.00 0.00 28.75 27.31 2pa4 h GLU 206 CO -0.44 0.47 -0.08 -0.25 0.05 0.00 0.00 179.01 178.76 2pa4 n ASP 207 N -4.58 0.20 -4.70 3.06 8.00 -0.69 -4.91 116.55 112.95 2pa4 n ASP 207 Ca 0.18 -0.15 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 2pa4 n ASP 207 Cb 0.46 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 2pa4 n ASP 207 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pa4 s ALA 208 N -2.67 3.53 -2.21 2.24 0.00 -0.97 -4.87 121.76 116.81 2pa4 s ALA 208 Ca 0.24 0.84 0.29 0.00 0.00 0.00 0.00 51.96 53.33 2pa4 s ALA 208 Cb 0.20 -3.54 1.46 0.00 0.00 0.00 0.00 23.12 21.23 2pa4 s ALA 208 CO 0.50 -0.76 1.97 -0.35 0.00 0.00 0.00 175.76 177.12 2pa4 n PRO 209 N 4.92 1.29 -2.25 0.00 -0.04 -1.26 -4.92 135.00 132.74 2pa4 n PRO 209 Ca 0.12 -0.43 -0.01 0.00 -0.04 0.00 0.00 63.50 63.14 2pa4 n PRO 209 Cb 0.45 -1.47 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 2pa4 n PRO 209 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2pa4 n SER 210 N -0.46 -0.63 -0.36 3.54 3.41 -1.25 -4.67 113.62 113.20 2pa4 n SER 210 Ca 0.21 -1.34 0.07 0.00 -0.26 0.00 0.00 58.87 57.55 2pa4 n SER 210 Cb 0.21 1.02 0.14 0.00 -0.26 0.00 0.00 64.21 65.33 2pa4 n SER 210 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2pa4 n ARG 211 N -0.25 1.19 -3.58 4.33 5.12 -1.26 -4.93 116.66 117.28 2pa4 n ARG 211 Ca -0.01 -2.64 -0.40 0.00 -1.93 0.00 0.00 57.85 52.87 2pa4 n ARG 211 Cb 0.20 -1.36 -0.11 0.00 -1.16 0.00 0.00 32.46 30.03 2pa4 n ARG 211 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2pa4 s LEU 212 N -2.57 4.48 -0.01 0.55 1.43 -1.26 -0.85 118.68 120.46 2pa4 s LEU 212 Ca 0.31 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2pa4 s LEU 212 Cb 0.29 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 2pa4 s LEU 212 CO -0.02 -0.27 0.09 0.00 0.23 0.00 0.00 176.35 176.38 2pa4 s ALA 213 N 1.65 3.61 0.01 4.21 0.00 -0.61 -1.51 121.76 129.11 2pa4 s ALA 213 Ca 0.05 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 2pa4 s ALA 213 Cb -0.18 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 2pa4 s ALA 213 CO 0.08 0.69 1.05 0.00 0.00 0.00 0.00 175.76 177.58 2pa4 s ALA 214 N -1.20 3.25 0.59 0.00 0.00 0.88 -1.07 121.76 124.21 2pa4 s ALA 214 Ca 0.23 0.62 -0.01 0.00 0.00 0.00 0.00 51.96 52.80 2pa4 s ALA 214 Cb -0.12 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.66 2pa4 s ALA 214 CO 0.14 -0.32 0.84 0.95 0.00 0.00 0.00 175.76 177.37 2pa4 s THR 215 N 1.11 2.67 -1.33 0.00 -4.23 -0.18 -4.60 115.64 109.07 2pa4 s THR 215 Ca 0.54 -0.52 -0.08 0.00 -1.18 0.00 0.00 61.69 60.46 2pa4 s THR 215 Cb -0.23 -3.05 0.12 0.00 1.34 0.00 0.00 72.50 70.68 2pa4 s THR 215 CO 0.28 -0.04 2.21 0.61 -0.54 0.00 0.00 174.62 177.14 2pa4 n GLY 216 N -2.50 4.93 2.76 3.99 0.00 -1.26 -4.62 105.19 108.48 2pa4 n GLY 216 Ca 0.07 -2.01 -0.16 0.00 0.00 0.00 0.00 46.02 43.92 2pa4 n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pa4 s ARG 217 N -0.09 -0.04 -0.06 1.61 1.81 -1.26 -0.94 118.95 119.98 2pa4 s ARG 217 Ca 0.49 0.23 -0.10 0.00 -1.72 0.00 0.00 55.73 54.63 2pa4 s ARG 217 Cb 0.15 -0.29 0.02 0.00 -0.45 0.00 0.00 34.95 34.37 2pa4 s ARG 217 CO -0.05 -0.20 0.25 0.71 -0.68 0.00 0.00 175.30 175.33 2pa4 s TYR 218 N 1.29 -0.19 -0.43 -0.53 1.51 -0.63 -3.30 117.35 115.07 2pa4 s TYR 218 Ca -0.06 0.41 0.02 0.00 -1.01 0.00 0.00 57.07 56.43 2pa4 s TYR 218 Cb -0.13 0.07 0.12 0.00 -0.11 0.00 0.00 41.96 41.91 2pa4 s TYR 218 CO -0.03 -0.23 0.20 -0.51 -1.11 0.00 0.00 175.55 173.87 2pa4 s LEU 219 N -0.55 3.32 -0.10 -1.29 1.43 0.09 -1.16 118.68 120.43 2pa4 s LEU 219 Ca -0.06 -2.52 -0.04 0.00 -1.03 0.00 0.00 54.13 50.47 2pa4 s LEU 219 Cb -0.04 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 2pa4 s LEU 219 CO 0.02 -0.29 0.07 -0.76 0.23 0.00 0.00 176.35 175.61 2pa4 s LEU 220 N 0.45 3.96 0.51 1.79 1.43 -0.25 -0.89 118.68 125.68 2pa4 s LEU 220 Ca 0.15 0.29 -0.22 0.00 -1.03 0.00 0.00 54.13 53.32 2pa4 s LEU 220 Cb -0.23 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 43.99 2pa4 s LEU 220 CO -0.04 0.39 1.29 -0.62 0.23 0.00 0.00 176.35 177.59 2pa4 s ASP 221 N -0.91 5.59 0.00 2.29 3.68 -1.24 0.01 116.67 126.10 2pa4 s ASP 221 Ca 0.14 2.61 0.00 0.00 2.13 0.00 0.00 52.55 57.43 2pa4 s ASP 221 Cb -0.12 -2.62 0.00 0.00 -1.45 0.00 0.00 42.92 38.73 2pa4 s ASP 221 CO 0.03 -1.34 0.86 0.54 0.13 0.00 0.00 175.17 175.39 2pa4 n ARG 222 N -0.82 0.00 0.01 4.34 1.74 -1.26 -2.29 116.66 118.38 2pa4 n ARG 222 Ca 0.09 0.36 0.08 0.00 -0.77 0.00 0.00 57.85 57.61 2pa4 n ARG 222 Cb 0.46 -1.51 0.34 0.00 -1.02 0.00 0.00 32.46 30.73 2pa4 n ARG 222 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2pa4 n LYS 223 N -1.36 0.02 0.22 5.56 5.02 -1.26 -3.08 118.16 123.28 2pa4 n LYS 223 Ca 0.00 0.25 0.09 0.00 -2.02 0.00 0.00 58.31 56.63 2pa4 n LYS 223 Cb 0.01 -1.54 0.51 0.00 -0.02 0.00 0.00 35.03 33.99 2pa4 n LYS 223 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 2pa4 h ILE 224 N 0.00 0.71 0.16 -0.18 -0.00 -1.82 -1.79 117.51 114.58 2pa4 h ILE 224 Ca 0.00 -1.05 -0.01 0.00 -0.00 0.00 0.00 64.86 63.81 2pa4 h ILE 224 Cb 0.27 1.66 0.00 0.00 -0.00 0.00 0.00 36.82 38.76 2pa4 h ILE 224 CO 0.00 0.24 -0.08 -0.26 -0.00 0.00 0.00 178.15 178.05 2pa4 h PHE 225 N 0.00 -0.20 0.00 0.16 0.04 -1.82 1.00 116.94 116.12 2pa4 h PHE 225 Ca -0.00 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.79 2pa4 h PHE 225 Cb 0.64 0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.83 2pa4 h PHE 225 CO 0.00 -0.08 -0.14 -0.44 -0.60 0.00 0.00 178.31 177.05 2pa4 h ASP 226 N -0.27 -0.41 -0.69 2.17 3.45 -1.70 -2.48 116.42 116.48 2pa4 h ASP 226 Ca -0.02 0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.49 2pa4 h ASP 226 Cb 0.21 0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 39.12 2pa4 h ASP 226 CO 0.04 -0.20 0.40 0.00 -1.57 0.00 0.00 179.24 177.91 2pa4 h ALA 227 N 0.71 1.37 0.00 3.45 0.00 -0.92 -2.51 119.26 121.36 2pa4 h ALA 227 Ca 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2pa4 h ALA 227 Cb 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2pa4 h ALA 227 CO -0.14 0.52 -0.18 -0.07 0.00 0.00 0.00 179.25 179.39 2pa4 h LEU 228 N 0.98 0.00 -0.49 0.00 3.38 0.14 -1.21 115.31 118.11 2pa4 h LEU 228 Ca 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2pa4 h LEU 228 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2pa4 h LEU 228 CO -0.04 0.18 -0.03 0.03 0.09 0.00 0.00 178.44 178.67 2pa4 h ARG 229 N 0.00 0.00 0.07 1.13 3.08 -1.01 -3.35 114.38 114.30 2pa4 h ARG 229 Ca -0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.68 2pa4 h ARG 229 Cb 0.32 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 2pa4 h ARG 229 CO 0.02 0.03 -2.13 0.54 -1.07 0.00 0.00 179.97 177.36 2pa4 n ARG 230 N -3.11 0.71 -1.33 0.04 1.74 -0.55 -5.00 116.66 109.17 2pa4 n ARG 230 Ca 0.03 0.22 -0.34 0.00 -0.77 0.00 0.00 57.85 56.98 2pa4 n ARG 230 Cb 0.47 -1.65 0.11 0.00 -1.02 0.00 0.00 32.46 30.36 2pa4 n ARG 230 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2pa4 s ILE 231 N -2.55 2.09 0.37 0.55 -4.36 -0.67 -5.04 121.20 111.60 2pa4 s ILE 231 Ca -0.23 0.04 0.04 0.00 -0.26 0.00 0.00 60.65 60.25 2pa4 s ILE 231 Cb 0.07 -2.62 -0.01 0.00 1.25 0.00 0.00 42.46 41.15 2pa4 s ILE 231 CO 0.73 -0.02 0.53 0.42 0.24 0.00 0.00 174.94 176.84 2pa4 s THR 232 N -1.93 4.07 0.80 8.37 -4.23 -1.26 -5.02 115.64 116.44 2pa4 s THR 232 Ca 0.76 -0.83 -0.14 0.00 -1.18 0.00 0.00 61.69 60.29 2pa4 s THR 232 Cb -0.31 -3.44 0.04 0.00 1.34 0.00 0.00 72.50 70.13 2pa4 s THR 232 CO 0.47 -0.22 0.89 -2.65 -0.54 0.00 0.00 174.62 172.58 2pa4 n PRO 233 N -1.78 0.16 0.00 3.99 -0.02 -1.26 -4.77 135.00 131.32 2pa4 n PRO 233 Ca 0.00 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 2pa4 n PRO 233 Cb 0.58 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2pa4 n PRO 233 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pa4 n GLY 234 N 1.01 3.02 3.66 -1.23 0.00 0.18 -4.89 105.19 106.94 2pa4 n GLY 234 Ca 0.12 -0.25 -0.46 0.00 0.00 0.00 0.00 46.02 45.43 2pa4 n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa4 n ALA 235 N -3.00 1.00 -1.24 4.61 0.00 -1.26 -2.03 120.51 118.58 2pa4 n ALA 235 Ca 0.00 0.43 -0.08 0.00 0.00 0.00 0.00 53.44 53.79 2pa4 n ALA 235 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.14 2pa4 n ALA 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pa4 n GLY 236 N 2.55 0.90 1.91 0.00 0.00 -1.26 -2.44 105.19 106.85 2pa4 n GLY 236 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2pa4 n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pa4 n GLY 237 N -0.45 0.52 3.88 -0.02 0.00 -0.86 -5.03 105.19 103.24 2pa4 n GLY 237 Ca -0.08 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 2pa4 n GLY 237 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pa4 s GLU 238 N -0.08 3.20 -0.67 1.61 2.02 -1.02 -4.68 118.70 119.07 2pa4 s GLU 238 Ca 0.00 -0.75 -0.24 0.00 0.02 0.00 0.00 54.97 54.00 2pa4 s GLU 238 Cb 0.00 -2.81 0.06 0.00 0.10 0.00 0.00 34.13 31.48 2pa4 s GLU 238 CO 0.00 0.49 1.05 -0.51 0.02 0.00 0.00 175.26 176.30 2pa4 s LEU 239 N -3.32 4.05 -0.03 1.80 1.43 -0.13 0.47 118.68 122.96 2pa4 s LEU 239 Ca 0.33 -0.81 -0.29 0.00 -1.03 0.00 0.00 54.13 52.33 2pa4 s LEU 239 Cb -0.10 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 2pa4 s LEU 239 CO 0.26 -1.53 0.92 -1.10 0.23 0.00 0.00 176.35 175.13 2pa4 s GLN 240 N 4.49 4.52 0.42 1.70 -1.52 -1.26 -0.56 119.66 127.44 2pa4 s GLN 240 Ca 0.26 1.30 0.09 0.00 -1.95 0.00 0.00 55.36 55.06 2pa4 s GLN 240 Cb -0.14 -3.47 0.90 0.00 -0.22 0.00 0.00 33.01 30.08 2pa4 s GLN 240 CO 0.12 -0.05 2.02 1.25 -0.25 0.00 0.00 175.29 178.37 2pa4 h LEU 241 N 6.92 0.30 -0.45 2.90 5.85 -1.90 -2.46 115.31 126.48 2pa4 h LEU 241 Ca -0.40 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.30 2pa4 h LEU 241 Cb 1.21 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 2pa4 h LEU 241 CO 0.76 0.31 0.29 0.74 -0.34 0.00 0.00 178.44 180.19 2pa4 h THR 242 N 0.34 1.09 -0.31 1.05 2.02 -1.98 -1.46 112.91 113.66 2pa4 h THR 242 Ca 0.08 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2pa4 h THR 242 Cb 0.12 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 2pa4 h THR 242 CO -0.01 0.11 0.21 0.44 0.37 0.00 0.00 175.52 176.64 2pa4 h ASP 243 N 0.58 0.35 0.21 4.18 3.32 -1.77 0.28 116.42 123.57 2pa4 h ASP 243 Ca 0.17 -0.01 -0.24 0.00 0.02 0.00 0.00 57.03 56.97 2pa4 h ASP 243 Cb -0.04 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.43 2pa4 h ASP 243 CO -0.05 0.25 -0.98 0.00 -1.72 0.00 0.00 179.24 176.74 2pa4 h ALA 244 N 1.81 0.27 -0.24 3.45 0.00 -1.36 -0.39 119.26 122.81 2pa4 h ALA 244 Ca 0.12 -0.70 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 2pa4 h ALA 244 Cb -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2pa4 h ALA 244 CO -0.03 0.77 -0.41 0.82 0.00 0.00 0.00 179.25 180.40 2pa4 h ILE 245 N 0.30 1.30 -0.51 0.00 2.04 -0.46 -2.03 117.51 118.15 2pa4 h ILE 245 Ca -0.10 -1.58 -0.08 0.00 1.00 0.00 0.00 64.86 64.10 2pa4 h ILE 245 Cb 1.62 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 39.25 2pa4 h ILE 245 CO 0.18 0.50 0.01 -0.78 0.00 0.00 0.00 178.15 178.06 2pa4 h ASP 246 N 0.46 0.87 -0.75 1.72 3.58 -0.32 -0.98 116.42 121.00 2pa4 h ASP 246 Ca 0.04 -0.30 0.04 0.00 0.42 0.00 0.00 57.03 57.22 2pa4 h ASP 246 Cb 0.91 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 41.68 2pa4 h ASP 246 CO 0.08 0.96 0.47 0.25 -2.88 0.00 0.00 179.24 178.12 2pa4 h LEU 247 N 0.76 0.76 -0.91 2.28 5.85 -0.88 0.12 115.31 123.29 2pa4 h LEU 247 Ca 0.15 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 2pa4 h LEU 247 Cb 0.51 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2pa4 h LEU 247 CO 0.02 0.52 0.16 -0.07 -0.34 0.00 0.00 178.44 178.74 2pa4 h LEU 248 N 0.90 0.91 0.41 2.25 3.38 -0.92 -2.68 115.31 119.55 2pa4 h LEU 248 Ca 0.31 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2pa4 h LEU 248 Cb 0.05 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2pa4 h LEU 248 CO -0.12 0.87 -0.22 0.40 0.09 0.00 0.00 178.44 179.45 2pa4 h ILE 249 N 0.93 0.54 0.00 1.22 2.04 0.42 -1.29 117.51 121.37 2pa4 h ILE 249 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.06 2pa4 h ILE 249 Cb 0.31 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2pa4 h ILE 249 CO -0.00 0.00 0.20 0.47 0.00 0.00 0.00 178.15 178.81 2pa4 n ASP 250 N -5.35 0.21 -0.68 1.72 8.00 0.20 0.50 116.55 121.14 2pa4 n ASP 250 Ca -0.11 0.48 0.06 0.00 0.71 0.00 0.00 54.79 55.93 2pa4 n ASP 250 Cb 0.26 -0.47 0.20 0.00 -0.02 0.00 0.00 41.12 41.10 2pa4 n ASP 250 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2pa4 n GLU 251 N -1.74 2.02 -0.97 -1.24 1.02 -1.03 -4.97 120.64 113.73 2pa4 n GLU 251 Ca -0.01 -2.90 0.00 0.00 -0.02 0.00 0.00 57.16 54.24 2pa4 n GLU 251 Cb 0.21 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 2pa4 n GLU 251 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pa4 n GLY 252 N -1.00 0.53 3.76 0.62 0.00 0.18 -5.03 105.19 104.25 2pa4 n GLY 252 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 2pa4 n GLY 252 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2pa4 s HIS 253 N -2.34 3.25 -0.11 1.61 5.04 -0.51 -4.96 115.29 117.27 2pa4 s HIS 253 Ca 0.00 1.45 -0.30 0.00 -1.54 0.00 0.00 55.06 54.67 2pa4 s HIS 253 Cb 0.00 -3.55 -0.02 0.00 0.04 0.00 0.00 32.58 29.05 2pa4 s HIS 253 CO 0.00 -1.49 1.13 -1.25 -2.34 0.00 0.00 174.74 170.79 2pa4 s PRO 254 N -1.27 4.34 -0.08 2.88 0.04 -1.26 -4.45 135.00 135.20 2pa4 s PRO 254 Ca 0.50 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2pa4 s PRO 254 Cb -0.37 -3.60 0.02 0.00 0.04 0.00 0.00 34.50 30.60 2pa4 s PRO 254 CO 0.46 -0.47 -0.07 0.08 0.04 0.00 0.00 177.00 177.04 2pa4 s VAL 255 N 2.48 0.86 0.16 -0.36 1.01 -1.26 -0.69 120.40 122.60 2pa4 s VAL 255 Ca 0.52 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.35 2pa4 s VAL 255 Cb -0.21 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2pa4 s VAL 255 CO 0.17 0.32 -0.20 -1.00 0.00 0.00 0.00 175.10 174.39 2pa4 s HIS 256 N 1.37 1.92 0.04 5.22 3.76 -0.91 -0.13 115.29 126.56 2pa4 s HIS 256 Ca -0.02 -0.43 0.09 0.00 -0.15 0.00 0.00 55.06 54.54 2pa4 s HIS 256 Cb -0.14 -0.98 -0.03 0.00 1.11 0.00 0.00 32.58 32.55 2pa4 s HIS 256 CO -0.03 0.34 -0.26 0.96 -0.85 0.00 0.00 174.74 174.89 2pa4 s ILE 257 N -1.76 2.11 -0.22 0.60 -4.36 -0.44 -1.70 121.20 115.43 2pa4 s ILE 257 Ca 0.15 -1.35 -0.10 0.00 -0.26 0.00 0.00 60.65 59.08 2pa4 s ILE 257 Cb -0.07 -1.80 -0.05 0.00 1.25 0.00 0.00 42.46 41.79 2pa4 s ILE 257 CO 0.07 0.38 0.14 -0.69 0.24 0.00 0.00 174.94 175.08 2pa4 s VAL 258 N -0.78 5.30 -0.31 8.37 1.01 -0.49 -2.33 120.40 131.16 2pa4 s VAL 258 Ca 0.11 0.16 -0.17 0.00 0.00 0.00 0.00 61.98 62.08 2pa4 s VAL 258 Cb -0.10 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 2pa4 s VAL 258 CO 0.02 0.38 0.46 -0.63 0.00 0.00 0.00 175.10 175.33 2pa4 s ILE 259 N 0.80 5.09 -0.19 2.22 1.01 0.12 -0.98 121.20 129.27 2pa4 s ILE 259 Ca 0.07 0.47 -0.28 0.00 0.00 0.00 0.00 60.65 60.92 2pa4 s ILE 259 Cb -0.13 -3.85 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 2pa4 s ILE 259 CO 0.02 -0.04 0.95 -2.28 0.00 0.00 0.00 174.94 173.59 2pa4 s HIS 260 N 2.25 3.40 -0.14 3.97 5.65 -0.05 -4.87 115.29 125.49 2pa4 s HIS 260 Ca 0.17 1.40 0.17 0.00 0.25 0.00 0.00 55.06 57.05 2pa4 s HIS 260 Cb -0.16 -3.15 -0.08 0.00 -1.18 0.00 0.00 32.58 28.01 2pa4 s HIS 260 CO 0.11 -0.34 0.99 1.96 -0.65 0.00 0.00 174.74 176.81 2pa4 h GLN 261 N 7.36 0.00 0.00 2.88 1.08 -1.96 -3.42 115.11 121.06 2pa4 h GLN 261 Ca -0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 2pa4 h GLN 261 Cb 1.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 2pa4 h GLN 261 CO 0.90 0.31 0.00 0.41 -0.95 0.00 0.00 178.83 179.50 2pa4 n GLY 262 N 1.34 -0.49 3.77 3.46 0.00 -1.26 -5.04 105.19 106.95 2pa4 n GLY 262 Ca -0.06 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 2pa4 n GLY 262 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pa4 s LYS 263 N 0.00 4.00 -0.14 1.61 2.47 -1.12 -4.95 119.74 121.62 2pa4 s LYS 263 Ca 0.00 2.06 -0.07 0.00 -1.56 0.00 0.00 55.97 56.40 2pa4 s LYS 263 Cb 0.00 -2.74 0.05 0.00 -1.46 0.00 0.00 37.83 33.68 2pa4 s LYS 263 CO 0.00 -0.43 0.33 0.50 0.16 0.00 0.00 175.35 175.91 2pa4 s ARG 264 N -2.23 0.29 -0.15 4.03 3.00 -1.26 -1.62 118.95 121.01 2pa4 s ARG 264 Ca 0.57 0.67 0.00 0.00 -1.00 0.00 0.00 55.73 55.97 2pa4 s ARG 264 Cb -0.36 -0.06 0.02 0.00 0.00 0.00 0.00 34.95 34.55 2pa4 s ARG 264 CO 0.46 -0.17 -0.14 -1.01 0.00 0.00 0.00 175.30 174.44 2pa4 s HIS 265 N 1.39 2.19 -0.46 5.12 3.76 0.26 -4.98 115.29 122.58 2pa4 s HIS 265 Ca -0.09 -1.23 -0.23 0.00 -0.15 0.00 0.00 55.06 53.36 2pa4 s HIS 265 Cb -0.10 -1.61 0.03 0.00 1.11 0.00 0.00 32.58 32.02 2pa4 s HIS 265 CO -0.11 -0.67 0.78 0.34 -0.85 0.00 0.00 174.74 174.23 2pa4 s ASP 266 N 1.46 6.38 0.00 1.40 -1.08 -1.26 -0.30 116.67 123.27 2pa4 s ASP 266 Ca 0.05 -0.20 0.24 0.00 -0.52 0.00 0.00 52.55 52.11 2pa4 s ASP 266 Cb -0.13 -2.38 0.66 0.00 -1.46 0.00 0.00 42.92 39.61 2pa4 s ASP 266 CO -0.11 -0.93 1.52 0.18 0.52 0.00 0.00 175.17 176.35 2pa4 n LEU 267 N 6.72 2.22 0.04 -1.34 4.77 0.39 -2.56 117.00 127.24 2pa4 n LEU 267 Ca 0.01 -0.86 0.10 0.00 -0.03 0.00 0.00 56.01 55.23 2pa4 n LEU 267 Cb 0.48 -0.09 0.42 0.00 -2.33 0.00 0.00 43.42 41.90 2pa4 n LEU 267 CO 0.59 0.43 0.81 0.61 -1.33 0.00 0.00 177.39 178.50 2pa4 n GLY 268 N 1.26 -1.21 3.22 -0.72 0.00 -1.18 -4.55 105.19 102.02 2pa4 n GLY 268 Ca 0.17 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 2pa4 n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pa4 s ASN 269 N -3.38 -0.07 0.41 1.61 2.20 -1.26 -4.79 114.94 109.67 2pa4 s ASN 269 Ca 0.08 -0.23 0.19 0.00 -0.94 0.00 0.00 52.86 51.96 2pa4 s ASN 269 Cb 0.12 0.33 1.11 0.00 -2.00 0.00 0.00 41.25 40.81 2pa4 s ASN 269 CO 0.37 -0.58 1.81 -0.65 -2.94 0.00 0.00 177.10 175.11 2pa4 h PRO 270 N 3.37 0.37 -0.24 3.55 0.11 -1.87 0.74 132.00 138.04 2pa4 h PRO 270 Ca -0.32 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 2pa4 h PRO 270 Cb 1.19 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2pa4 h PRO 270 CO 0.46 0.25 -0.08 0.78 -0.21 0.00 0.00 178.00 179.20 2pa4 h GLY 271 N 0.39 0.40 0.37 -0.55 0.00 -1.97 -0.79 103.07 100.91 2pa4 h GLY 271 Ca 0.54 -0.24 -0.35 0.00 0.00 0.00 0.00 47.33 47.28 2pa4 h GLY 271 CO -0.23 0.23 -2.14 0.61 0.00 0.00 0.00 176.54 175.01 2pa4 n GLY 272 N -0.85 -0.91 0.08 4.60 0.00 -0.58 -4.16 105.19 103.36 2pa4 n GLY 272 Ca 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 2pa4 n GLY 272 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2pa4 h TYR 273 N 0.00 0.14 0.44 1.61 3.20 -0.62 -2.50 116.97 119.25 2pa4 h TYR 273 Ca -0.46 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.38 2pa4 h TYR 273 Cb 2.12 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 40.35 2pa4 h TYR 273 CO 0.01 0.44 -0.34 0.82 -1.64 0.00 0.00 178.16 177.45 2pa4 h ILE 274 N -0.20 0.30 -0.54 1.81 2.04 -1.36 -1.49 117.51 118.07 2pa4 h ILE 274 Ca 0.02 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.00 2pa4 h ILE 274 Cb 0.39 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 2pa4 h ILE 274 CO 0.01 0.00 0.37 -0.65 0.00 0.00 0.00 178.15 177.88 2pa4 h PRO 275 N -0.77 0.19 -0.45 2.37 0.11 -1.72 0.78 132.00 132.50 2pa4 h PRO 275 Ca -0.04 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 2pa4 h PRO 275 Cb 0.67 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 2pa4 h PRO 275 CO -0.01 0.12 -0.05 0.00 -0.21 0.00 0.00 178.00 177.86 2pa4 h ALA 276 N 1.73 1.06 -0.04 -0.75 0.00 -0.92 -0.53 119.26 119.81 2pa4 h ALA 276 Ca 0.25 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2pa4 h ALA 276 Cb 0.74 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2pa4 h ALA 276 CO -0.04 0.58 -0.78 0.00 0.00 0.00 0.00 179.25 179.01 2pa4 h VAL 278 N 0.21 1.30 -0.29 0.00 2.07 -0.90 -0.18 116.25 118.46 2pa4 h VAL 278 Ca -0.04 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.44 2pa4 h VAL 278 Cb 1.37 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.78 2pa4 h VAL 278 CO 0.13 0.32 0.09 -0.78 0.02 0.00 0.00 177.57 177.35 2pa4 h ASP 279 N 0.01 0.09 0.34 0.57 -0.00 -1.03 0.11 116.42 116.51 2pa4 h ASP 279 Ca 0.04 0.03 -0.18 0.00 -0.00 0.00 0.00 57.03 56.92 2pa4 h ASP 279 Cb 0.52 0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 39.87 2pa4 h ASP 279 CO 0.02 0.09 -0.75 -0.26 -0.00 0.00 0.00 179.24 178.34 2pa4 h PHE 280 N 0.22 0.47 -0.63 0.28 -1.00 -1.46 -3.18 116.94 111.63 2pa4 h PHE 280 Ca 0.13 -0.21 -0.05 0.00 2.81 0.00 0.00 57.97 60.64 2pa4 h PHE 280 Cb 0.11 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 39.57 2pa4 h PHE 280 CO -0.14 0.97 0.19 0.78 -1.61 0.00 0.00 178.31 178.50 2pa4 h GLY 281 N 1.41 1.06 2.00 -1.45 0.00 -0.68 -2.31 103.07 103.11 2pa4 h GLY 281 Ca -0.03 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 2pa4 h GLY 281 CO 0.12 0.59 -0.05 1.41 0.00 0.00 0.00 176.54 178.61 2pa4 h LEU 282 N 0.91 0.00 -0.09 3.11 3.38 -0.78 -1.20 115.31 120.64 2pa4 h LEU 282 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2pa4 h LEU 282 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2pa4 h LEU 282 CO -0.01 0.05 -0.49 -1.20 0.09 0.00 0.00 178.44 176.88 2pa4 n SER 283 N -3.84 0.63 -4.69 -0.43 7.64 -0.90 -4.48 113.62 107.55 2pa4 n SER 283 Ca -0.03 -0.41 -0.42 0.00 1.01 0.00 0.00 58.87 59.02 2pa4 n SER 283 Cb 0.14 0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.60 2pa4 n SER 283 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2pa4 s HIS 284 N -2.92 2.85 0.58 1.43 5.04 -0.47 -4.88 115.29 116.93 2pa4 s HIS 284 Ca 0.13 0.77 0.28 0.00 -1.54 0.00 0.00 55.06 54.69 2pa4 s HIS 284 Cb 0.18 -3.71 1.63 0.00 0.04 0.00 0.00 32.58 30.72 2pa4 s HIS 284 CO 0.68 -2.64 2.11 -1.00 -2.34 0.00 0.00 174.74 171.55 2pa4 h PRO 285 N 7.74 0.00 0.00 2.88 0.13 -1.91 0.49 132.00 141.34 2pa4 h PRO 285 Ca -0.39 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.70 2pa4 h PRO 285 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2pa4 h PRO 285 CO 0.90 0.00 -0.72 0.28 -0.23 0.00 0.00 178.00 178.23 2pa4 n VAL 286 N -3.89 1.45 0.18 1.56 0.31 -1.26 -4.65 118.33 112.02 2pa4 n VAL 286 Ca 0.01 0.16 0.10 0.00 -0.01 0.00 0.00 64.34 64.61 2pa4 n VAL 286 Cb 0.30 -2.34 0.11 0.00 -0.91 0.00 0.00 33.84 31.00 2pa4 n VAL 286 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 2pa4 h TYR 287 N -1.00 0.00 -0.05 3.52 -1.99 -1.80 -3.42 116.97 112.22 2pa4 h TYR 287 Ca -0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.68 2pa4 h TYR 287 Cb 0.70 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.42 2pa4 h TYR 287 CO -0.22 0.11 -0.03 0.41 -0.00 0.00 0.00 178.16 178.43 2pa4 n GLY 288 N 1.15 -1.81 0.29 3.88 0.00 0.17 -1.29 105.19 107.58 2pa4 n GLY 288 Ca 0.02 0.38 -0.06 0.00 0.00 0.00 0.00 46.02 46.36 2pa4 n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa4 h ALA 289 N -0.51 0.89 -0.36 4.61 0.00 -1.81 -2.61 119.26 119.47 2pa4 h ALA 289 Ca 0.01 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 2pa4 h ALA 289 Cb 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2pa4 h ALA 289 CO -0.05 0.43 -0.34 0.37 0.00 0.00 0.00 179.25 179.66 2pa4 h GLN 290 N 0.96 0.82 -0.57 0.00 4.15 -1.79 -3.00 115.11 115.68 2pa4 h GLN 290 Ca 0.24 -0.40 -0.03 0.00 0.77 0.00 0.00 58.65 59.23 2pa4 h GLN 290 Cb 0.09 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 2pa4 h GLN 290 CO -0.03 1.04 0.25 -0.07 -1.93 0.00 0.00 178.83 178.09 2pa4 h LEU 291 N 0.68 0.76 -0.30 -2.39 3.38 -1.11 0.40 115.31 116.74 2pa4 h LEU 291 Ca 0.07 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 57.96 2pa4 h LEU 291 Cb 0.90 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 2pa4 h LEU 291 CO 0.08 0.70 -0.16 0.50 0.09 0.00 0.00 178.44 179.65 2pa4 h LYS 292 N 0.77 -0.11 0.06 1.13 3.64 -1.37 0.35 116.57 121.03 2pa4 h LYS 292 Ca 0.19 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2pa4 h LYS 292 Cb 0.16 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2pa4 h LYS 292 CO -0.02 -0.08 -0.03 -0.44 -2.27 0.00 0.00 179.45 176.61 2pa4 h ASP 293 N -0.12 -0.07 -0.63 4.20 3.32 -1.37 -0.98 116.42 120.77 2pa4 h ASP 293 Ca 0.16 -0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.12 2pa4 h ASP 293 Cb 0.36 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 2pa4 h ASP 293 CO -0.38 0.08 0.37 0.00 -1.72 0.00 0.00 179.24 177.60 2pa4 h ALA 294 N 0.71 0.83 0.05 3.45 0.00 -0.30 -1.91 119.26 122.09 2pa4 h ALA 294 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pa4 h ALA 294 Cb 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2pa4 h ALA 294 CO 0.01 0.08 -0.02 0.82 0.00 0.00 0.00 179.25 180.14 2pa4 h ILE 295 N 0.71 1.13 -0.51 0.00 2.04 -0.22 -1.29 117.51 119.37 2pa4 h ILE 295 Ca 0.27 -0.57 0.10 0.00 1.00 0.00 0.00 64.86 65.65 2pa4 h ILE 295 Cb 0.09 1.51 -0.08 0.00 -0.74 0.00 0.00 36.82 37.59 2pa4 h ILE 295 CO -0.14 0.14 0.04 0.11 0.00 0.00 0.00 178.15 178.31 2pa4 h LYS 296 N -0.32 0.16 -0.51 2.37 1.57 -1.08 0.09 116.57 118.85 2pa4 h LYS 296 Ca -0.01 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2pa4 h LYS 296 Cb 0.29 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 2pa4 h LYS 296 CO 0.01 0.11 0.26 0.37 -0.57 0.00 0.00 179.45 179.63 2pa4 h GLN 297 N 0.16 0.50 -0.75 3.15 4.15 -1.22 -1.05 115.11 120.05 2pa4 h GLN 297 Ca 0.26 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.59 2pa4 h GLN 297 Cb 0.38 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 2pa4 h GLN 297 CO -0.39 0.33 0.23 0.82 -1.93 0.00 0.00 178.83 177.89 2pa4 h ILE 298 N 0.51 1.26 -0.16 2.39 2.04 0.02 -1.55 117.51 122.03 2pa4 h ILE 298 Ca 0.22 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 2pa4 h ILE 298 Cb 0.13 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2pa4 h ILE 298 CO -0.15 0.36 0.09 -0.07 0.00 0.00 0.00 178.15 178.38 2pa4 h LEU 299 N 1.12 0.19 -0.66 1.44 3.38 -0.56 -1.35 115.31 118.88 2pa4 h LEU 299 Ca 0.24 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.21 2pa4 h LEU 299 Cb 0.31 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 2pa4 h LEU 299 CO -0.01 0.22 0.33 0.00 0.09 0.00 0.00 178.44 179.07 2pa4 h ALA 300 N 0.98 0.88 -0.79 1.53 0.00 -0.83 -1.12 119.26 119.92 2pa4 h ALA 300 Ca 0.05 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2pa4 h ALA 300 Cb 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2pa4 h ALA 300 CO -0.01 -0.03 0.42 0.93 0.00 0.00 0.00 179.25 180.56 2pa4 h GLU 301 N 0.60 1.10 -0.76 0.00 5.08 -0.97 -1.62 114.58 118.02 2pa4 h GLU 301 Ca 0.31 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2pa4 h GLU 301 Cb 0.26 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2pa4 h GLU 301 CO -0.22 0.82 0.42 0.45 -1.00 0.00 0.00 179.01 179.49 2pa4 h HIS 302 N 1.10 1.03 0.13 4.33 3.86 -0.34 0.22 115.15 125.47 2pa4 h HIS 302 Ca 0.28 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.47 2pa4 h HIS 302 Cb 0.05 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.16 2pa4 h HIS 302 CO 0.00 0.72 -0.38 0.93 0.86 0.00 0.00 177.93 180.06 2pa4 h GLU 303 N 1.04 -0.55 -0.35 2.45 5.08 -0.57 -2.45 114.58 119.24 2pa4 h GLU 303 Ca 0.27 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.72 2pa4 h GLU 303 Cb 0.02 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2pa4 h GLU 303 CO -0.04 -0.37 0.24 0.00 -1.00 0.00 0.00 179.01 177.84 2pa4 h ALA 304 N -0.87 2.01 0.00 3.43 0.00 -1.13 -3.52 119.26 119.18 2pa4 h ALA 304 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pa4 h ALA 304 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2pa4 h ALA 304 CO -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 178.99