#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pa4 s ALA 11 N 0.00 4.00 -0.07 -2.53 0.00 -1.26 -5.07 121.76 116.83 2pa4 s ALA 11 Ca 0.00 -3.84 -0.21 0.00 0.00 0.00 0.00 51.96 47.91 2pa4 s ALA 11 Cb 0.00 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 2pa4 s ALA 11 CO 0.00 -2.12 0.60 0.08 0.00 0.00 0.00 175.76 174.33 2pa4 s VAL 12 N -1.41 5.07 -0.15 0.00 1.01 -1.26 -4.79 120.40 118.86 2pa4 s VAL 12 Ca 0.26 1.24 -0.07 0.00 0.00 0.00 0.00 61.98 63.40 2pa4 s VAL 12 Cb -0.06 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 2pa4 s VAL 12 CO -0.15 0.31 -0.19 0.29 0.00 0.00 0.00 175.10 175.36 2pa4 n LYS 13 N 3.54 0.32 -4.46 2.72 5.02 -1.26 -3.79 118.16 120.25 2pa4 n LYS 13 Ca -0.04 0.14 -0.34 0.00 -2.02 0.00 0.00 58.31 56.04 2pa4 n LYS 13 Cb 0.51 -1.05 -0.11 0.00 -0.02 0.00 0.00 35.03 34.37 2pa4 n LYS 13 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2pa4 s THR 14 N -2.27 4.01 -0.12 -0.18 2.01 -1.26 -0.92 115.64 116.91 2pa4 s THR 14 Ca -0.21 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 61.46 2pa4 s THR 14 Cb 0.08 -2.69 0.01 0.00 0.01 0.00 0.00 72.50 69.91 2pa4 s THR 14 CO 0.27 0.57 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.90 2pa4 s VAL 15 N -0.54 1.72 -0.20 3.82 1.01 -0.83 -4.21 120.40 121.17 2pa4 s VAL 15 Ca 0.09 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 61.07 2pa4 s VAL 15 Cb -0.12 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 2pa4 s VAL 15 CO 0.02 0.48 0.71 -0.69 0.00 0.00 0.00 175.10 175.62 2pa4 s VAL 16 N 0.92 4.96 -0.37 2.92 1.01 0.12 -0.26 120.40 129.69 2pa4 s VAL 16 Ca -0.07 1.34 0.04 0.00 0.00 0.00 0.00 61.98 63.30 2pa4 s VAL 16 Cb -0.15 -4.02 0.11 0.00 0.00 0.00 0.00 36.38 32.32 2pa4 s VAL 16 CO -0.02 0.06 0.09 -0.69 0.00 0.00 0.00 175.10 174.54 2pa4 s VAL 17 N 2.14 2.35 -0.31 2.92 1.01 0.34 -1.73 120.40 127.12 2pa4 s VAL 17 Ca 0.32 -2.52 -0.29 0.00 0.00 0.00 0.00 61.98 59.49 2pa4 s VAL 17 Cb -0.16 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.50 2pa4 s VAL 17 CO 0.10 -0.64 1.42 -2.84 0.00 0.00 0.00 175.10 173.15 2pa4 s PRO 18 N 0.70 3.78 -0.13 2.72 0.02 -1.26 -0.81 135.00 140.02 2pa4 s PRO 18 Ca 0.12 1.28 0.20 0.00 0.02 0.00 0.00 61.00 62.62 2pa4 s PRO 18 Cb -0.20 -3.96 0.45 0.00 0.02 0.00 0.00 34.50 30.80 2pa4 s PRO 18 CO -0.07 -1.30 1.17 0.00 -0.33 0.00 0.00 177.00 176.48 2pa4 n ALA 19 N 8.22 2.97 -0.28 -1.55 0.00 0.87 -4.49 120.51 126.25 2pa4 n ALA 19 Ca 0.16 -2.79 0.06 0.00 0.00 0.00 0.00 53.44 50.87 2pa4 n ALA 19 Cb 0.47 -0.63 0.17 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.21 2.28 -1.92 0.00 0.00 -0.94 -4.43 120.51 115.29 2pa4 n ALA 20 Ca 0.13 -1.28 -0.30 0.00 0.00 0.00 0.00 53.44 51.99 2pa4 n ALA 20 Cb 0.96 -0.49 0.17 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.10 1.75 0.32 0.00 0.00 -1.26 -4.63 107.32 102.41 2pa4 s GLY 21 Ca 0.26 -1.11 0.17 0.00 0.00 0.00 0.00 44.72 44.05 2pa4 s GLY 21 CO 0.16 -0.38 1.53 1.41 0.00 0.00 0.00 173.10 175.81 2pa4 h LEU 22 N -1.56 0.00 -0.31 0.66 3.38 -1.97 -3.48 115.31 112.03 2pa4 h LEU 22 Ca -0.45 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.14 2pa4 h LEU 22 Cb 1.25 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.11 2pa4 h LEU 22 CO 0.42 0.41 -0.62 0.61 0.09 0.00 0.00 178.44 179.35 2pa4 n GLY 23 N 1.02 -0.46 0.38 0.83 0.00 -1.26 -4.87 105.19 100.83 2pa4 n GLY 23 Ca 0.02 0.17 0.21 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.18 0.50 0.00 2.61 1.35 -1.95 -1.55 112.91 111.69 2pa4 h THR 24 Ca -0.53 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 2pa4 h THR 24 Cb 1.35 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 2pa4 h THR 24 CO 0.53 0.08 0.00 0.03 -0.25 0.00 0.00 175.52 175.92 2pa4 h ARG 25 N 0.45 0.00 -0.32 4.72 3.08 -1.89 -1.69 114.38 118.72 2pa4 h ARG 25 Ca 0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.68 2pa4 h ARG 25 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.50 2pa4 h ARG 25 CO -0.38 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 179.71 2pa4 n PHE 26 N -2.64 0.43 -2.20 3.04 3.01 -0.59 -4.57 117.46 113.94 2pa4 n PHE 26 Ca -0.01 -0.47 -0.38 0.00 1.01 0.00 0.00 57.45 57.61 2pa4 n PHE 26 Cb 0.14 -0.03 -0.01 0.00 -0.01 0.00 0.00 39.48 39.58 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 -0.99 4.04 0.00 4.37 1.43 -0.64 -1.73 118.68 125.16 2pa4 s LEU 27 Ca 0.22 2.38 0.30 0.00 -1.03 0.00 0.00 54.13 56.00 2pa4 s LEU 27 Cb 0.12 -4.18 1.43 0.00 0.03 0.00 0.00 46.19 43.59 2pa4 s LEU 27 CO 0.15 -0.94 2.01 -0.81 0.23 0.00 0.00 176.35 176.99 2pa4 n PRO 28 N -0.41 0.39 -0.35 1.29 -0.04 -1.26 -4.88 135.00 129.75 2pa4 n PRO 28 Ca 0.07 -0.03 0.01 0.00 -0.04 0.00 0.00 63.50 63.51 2pa4 n PRO 28 Cb 0.47 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.58 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 3.38 1.29 0.00 0.55 0.00 -1.73 -2.62 119.26 120.13 2pa4 h ALA 29 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pa4 h ALA 29 Cb 0.33 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2pa4 h ALA 29 CO 0.00 0.42 0.00 0.25 0.00 0.00 0.00 179.25 179.92 2pa4 n THR 30 N -4.53 0.00 -0.26 0.00 -2.24 -1.14 -3.13 114.28 102.99 2pa4 n THR 30 Ca 0.14 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.93 2pa4 n THR 30 Cb 0.15 -0.50 0.14 0.00 -2.10 0.00 0.00 70.33 68.02 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 0.68 0.00 -0.78 3.64 -1.79 -3.30 116.57 115.03 2pa4 h LYS 31 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2pa4 h LYS 31 Cb 0.00 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 2pa4 h LYS 31 CO 0.00 0.45 -0.13 0.25 -2.27 0.00 0.00 179.45 177.75 2pa4 n THR 32 N -4.79 0.00 -3.99 1.00 -2.24 -1.25 -5.03 114.28 97.98 2pa4 n THR 32 Ca 0.11 -0.32 -0.35 0.00 -2.27 0.00 0.00 64.05 61.22 2pa4 n THR 32 Cb 0.25 0.90 -0.11 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.90 4.51 0.09 2.28 1.01 -1.18 -4.99 120.40 121.22 2pa4 s VAL 33 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 2pa4 s VAL 33 Cb 0.00 -3.05 -0.06 0.00 0.00 0.00 0.00 36.38 33.27 2pa4 s VAL 33 CO 0.00 0.42 1.06 -2.84 0.00 0.00 0.00 175.10 173.74 2pa4 s PRO 34 N 0.78 4.58 0.60 2.72 0.02 -1.26 -4.00 135.00 138.43 2pa4 s PRO 34 Ca 0.03 1.59 0.33 0.00 0.02 0.00 0.00 61.00 62.97 2pa4 s PRO 34 Cb -0.14 -3.36 1.94 0.00 0.02 0.00 0.00 34.50 32.96 2pa4 s PRO 34 CO 0.02 0.01 2.27 1.57 -0.33 0.00 0.00 177.00 180.54 2pa4 h LYS 35 N 6.00 0.00 0.00 5.54 2.10 -1.93 0.74 116.57 129.02 2pa4 h LYS 35 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 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 0.75 0.01 0.00 0.39 -2.00 0.00 0.00 179.45 178.60 2pa4 n GLU 36 N -3.66 0.03 -0.02 0.07 4.71 -1.26 -2.20 120.64 118.31 2pa4 n GLU 36 Ca -0.03 0.24 0.08 0.00 -0.01 0.00 0.00 57.16 57.44 2pa4 n GLU 36 Cb 0.09 -1.55 0.07 0.00 -1.01 0.00 0.00 31.44 29.05 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 -1.60 2.37 -4.76 -4.62 4.77 0.25 -2.51 117.00 110.90 2pa4 n LEU 37 Ca 0.04 -1.07 -0.41 0.00 -0.03 0.00 0.00 56.01 54.54 2pa4 n LEU 37 Cb 0.20 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 2pa4 n LEU 37 CO 0.16 0.44 1.10 -0.76 -1.33 0.00 0.00 177.39 177.00 2pa4 s LEU 38 N -1.28 4.38 0.07 2.23 1.43 -0.93 -4.46 118.68 120.11 2pa4 s LEU 38 Ca 0.19 2.80 -0.31 0.00 -1.03 0.00 0.00 54.13 55.78 2pa4 s LEU 38 Cb 0.13 -3.64 -0.06 0.00 0.03 0.00 0.00 46.19 42.65 2pa4 s LEU 38 CO 0.20 -0.72 1.21 -2.16 0.23 0.00 0.00 176.35 175.10 2pa4 s PRO 39 N -1.16 4.43 -0.78 1.29 0.04 -1.26 -3.80 135.00 133.77 2pa4 s PRO 39 Ca 0.56 1.79 -0.16 0.00 0.04 0.00 0.00 61.00 63.23 2pa4 s PRO 39 Cb -0.43 -3.33 0.17 0.00 0.04 0.00 0.00 34.50 30.94 2pa4 s PRO 39 CO 0.51 -0.25 0.81 0.08 0.04 0.00 0.00 177.00 178.18 2pa4 s VAL 40 N 0.98 5.24 0.00 -0.36 1.01 -0.39 -4.57 120.40 122.31 2pa4 s VAL 40 Ca 0.59 -1.91 0.00 0.00 0.00 0.00 0.00 61.98 60.66 2pa4 s VAL 40 Cb -0.30 -4.53 0.00 0.00 0.00 0.00 0.00 36.38 31.55 2pa4 s VAL 40 CO 0.30 -1.13 0.00 0.52 0.00 0.00 0.00 175.10 174.78 2pa4 n VAL 41 N 4.72 0.00 -0.58 2.92 0.31 -1.26 -2.59 118.33 121.85 2pa4 n VAL 41 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2pa4 n VAL 41 Cb 0.46 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 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 4.14 0.00 -4.34 4.52 5.68 -1.26 -5.09 116.55 120.20 2pa4 n ASP 42 Ca 0.00 -0.54 -0.34 0.00 -0.50 0.00 0.00 54.79 53.42 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 3.10 0.68 2.12 2.01 -1.07 -4.82 115.64 117.66 2pa4 s THR 43 Ca 0.00 -0.62 -0.17 0.00 0.31 0.00 0.00 61.69 61.21 2pa4 s THR 43 Cb 0.00 -2.34 0.01 0.00 0.01 0.00 0.00 72.50 70.18 2pa4 s THR 43 CO 0.00 0.49 1.23 -2.84 -0.69 0.00 0.00 174.62 172.81 2pa4 s PRO 44 N 0.78 2.45 0.36 4.92 0.02 -1.25 -1.26 135.00 141.02 2pa4 s PRO 44 Ca -0.04 1.85 0.08 0.00 0.02 0.00 0.00 61.00 62.91 2pa4 s PRO 44 Cb -0.15 -1.86 0.69 0.00 0.02 0.00 0.00 34.50 33.20 2pa4 s PRO 44 CO 0.01 -1.62 1.87 0.78 -0.33 0.00 0.00 177.00 177.71 2pa4 h GLY 45 N 0.21 0.30 1.03 0.52 0.00 -1.63 -2.43 103.07 101.07 2pa4 h GLY 45 Ca -0.49 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 46.66 2pa4 h GLY 45 CO 0.52 0.18 0.63 1.19 0.00 0.00 0.00 176.54 179.06 2pa4 h ILE 46 N 0.26 1.22 -0.27 2.60 2.10 -1.57 -0.43 117.51 121.42 2pa4 h ILE 46 Ca 0.05 -0.44 -0.11 0.00 1.08 0.00 0.00 64.86 65.44 2pa4 h ILE 46 Cb 0.46 -0.16 -0.01 0.00 -1.09 0.00 0.00 36.82 36.02 2pa4 h ILE 46 CO 0.03 0.23 -0.30 -0.08 -1.08 0.00 0.00 178.15 176.95 2pa4 h GLU 47 N 1.27 0.55 -0.38 2.19 4.81 -1.72 0.15 114.58 121.45 2pa4 h GLU 47 Ca 0.36 -0.23 -0.15 0.00 -0.13 0.00 0.00 59.36 59.20 2pa4 h GLU 47 Cb -0.11 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2pa4 h GLU 47 CO -0.09 0.79 -0.35 -0.07 -0.73 0.00 0.00 179.01 178.56 2pa4 h LEU 48 N 0.47 0.93 -0.40 1.64 3.38 -1.15 -1.59 115.31 118.59 2pa4 h LEU 48 Ca 0.06 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 2pa4 h LEU 48 Cb 0.76 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2pa4 h LEU 48 CO 0.06 1.19 -0.04 0.40 0.09 0.00 0.00 178.44 180.14 2pa4 h ILE 49 N 0.73 1.27 -0.80 1.22 5.03 -0.88 -0.23 117.51 123.84 2pa4 h ILE 49 Ca 0.07 -1.08 0.08 0.00 -0.12 0.00 0.00 64.86 63.80 2pa4 h ILE 49 Cb 0.93 1.16 -0.07 0.00 -3.03 0.00 0.00 36.82 35.82 2pa4 h ILE 49 CO 0.09 0.36 0.47 0.00 -0.68 0.00 0.00 178.15 178.39 2pa4 h ALA 50 N 0.87 1.12 -0.41 1.87 0.00 -0.57 0.90 119.26 123.04 2pa4 h ALA 50 Ca 0.11 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2pa4 h ALA 50 Cb 0.53 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2pa4 h ALA 50 CO 0.03 0.14 -0.10 0.00 0.00 0.00 0.00 179.25 179.32 2pa4 h ALA 51 N 1.42 1.06 -0.18 0.00 0.00 -0.77 -1.78 119.26 119.00 2pa4 h ALA 51 Ca 0.37 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2pa4 h ALA 51 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2pa4 h ALA 51 CO -0.21 0.58 -0.37 1.49 0.00 0.00 0.00 179.25 180.73 2pa4 h GLU 52 N 0.66 0.39 -0.26 0.00 4.81 0.74 -2.10 114.58 118.81 2pa4 h GLU 52 Ca 0.12 -0.18 -0.18 0.00 -0.13 0.00 0.00 59.36 58.99 2pa4 h GLU 52 Cb 0.55 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 2pa4 h GLU 52 CO 0.03 0.71 -0.55 0.00 -0.73 0.00 0.00 179.01 178.47 2pa4 h ALA 53 N 1.28 0.52 -0.34 2.92 0.00 -0.50 -2.61 119.26 120.52 2pa4 h ALA 53 Ca 0.03 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 2pa4 h ALA 53 Cb 0.81 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2pa4 h ALA 53 CO 0.06 0.68 -0.17 0.00 0.00 0.00 0.00 179.25 179.83 2pa4 h ALA 54 N 0.76 1.07 -0.25 0.00 0.00 -1.26 -1.00 119.26 118.58 2pa4 h ALA 54 Ca 0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2pa4 h ALA 54 Cb 1.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2pa4 h ALA 54 CO 0.12 0.57 -0.07 1.49 0.00 0.00 0.00 179.25 181.36 2pa4 h GLU 55 N 0.56 0.39 0.00 0.00 4.81 -1.23 -0.91 114.58 118.21 2pa4 h GLU 55 Ca 0.09 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2pa4 h GLU 55 Cb 0.61 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2pa4 h GLU 55 CO 0.04 0.47 0.00 -0.11 -0.73 0.00 0.00 179.01 178.69 2pa4 n LEU 56 N -4.27 0.66 0.00 1.64 7.94 -0.98 -4.89 117.00 117.10 2pa4 n LEU 56 Ca 0.00 0.61 0.00 0.00 -1.11 0.00 0.00 56.01 55.51 2pa4 n LEU 56 Cb 0.26 -0.45 0.00 0.00 0.53 0.00 0.00 43.42 43.76 2pa4 n LEU 56 CO 0.39 -0.34 0.00 0.61 -1.11 0.00 0.00 177.39 176.93 2pa4 n GLY 57 N 0.67 0.97 3.77 -3.96 0.00 -0.35 -4.75 105.19 101.55 2pa4 n GLY 57 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 2.62 -0.17 4.61 0.00 -0.41 -4.75 121.76 121.65 2pa4 s ALA 58 Ca 0.00 0.86 0.03 0.00 0.00 0.00 0.00 51.96 52.84 2pa4 s ALA 58 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 2pa4 s ALA 58 CO 0.00 -0.94 0.21 0.25 0.00 0.00 0.00 175.76 175.28 2pa4 n THR 59 N -1.50 0.00 -3.71 0.00 -2.24 -0.09 -4.43 114.28 102.31 2pa4 n THR 59 Ca 0.12 -0.45 -0.14 0.00 -2.27 0.00 0.00 64.05 61.31 2pa4 n THR 59 Cb 0.51 1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 69.66 2pa4 n THR 59 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2pa4 s ARG 60 N -1.03 0.63 -0.24 -0.78 3.52 -0.80 -3.29 118.95 116.96 2pa4 s ARG 60 Ca 0.01 0.27 -0.01 0.00 -0.13 0.00 0.00 55.73 55.88 2pa4 s ARG 60 Cb 0.02 0.29 0.03 0.00 -1.56 0.00 0.00 34.95 33.73 2pa4 s ARG 60 CO 0.09 -0.14 -0.08 -1.17 -0.81 0.00 0.00 175.30 173.19 2pa4 s LEU 61 N -0.50 3.08 -0.82 -0.88 2.96 0.09 -1.96 118.68 120.64 2pa4 s LEU 61 Ca -0.06 -0.88 -0.20 0.00 -0.22 0.00 0.00 54.13 52.77 2pa4 s LEU 61 Cb -0.03 -1.63 0.11 0.00 0.50 0.00 0.00 46.19 45.13 2pa4 s LEU 61 CO 0.03 -0.12 1.06 0.00 -1.32 0.00 0.00 176.35 176.00 2pa4 s ALA 62 N 1.30 3.27 -0.40 5.97 0.00 0.65 -0.72 121.76 131.83 2pa4 s ALA 62 Ca 0.00 -2.42 -0.24 0.00 0.00 0.00 0.00 51.96 49.30 2pa4 s ALA 62 Cb -0.16 -3.97 0.02 0.00 0.00 0.00 0.00 23.12 19.01 2pa4 s ALA 62 CO -0.06 -2.89 0.81 0.42 0.00 0.00 0.00 175.76 174.04 2pa4 s ILE 63 N 3.19 4.67 -0.22 0.00 1.01 -0.75 -0.50 121.20 128.60 2pa4 s ILE 63 Ca 0.28 0.73 -0.29 0.00 0.00 0.00 0.00 60.65 61.37 2pa4 s ILE 63 Cb -0.10 -4.28 -0.00 0.00 0.01 0.00 0.00 42.46 38.09 2pa4 s ILE 63 CO -0.02 -0.58 1.21 -0.63 0.00 0.00 0.00 174.94 174.92 2pa4 s ILE 64 N 3.26 4.35 0.42 2.92 -1.09 0.01 -1.13 121.20 129.94 2pa4 s ILE 64 Ca 0.32 1.61 0.05 0.00 -2.23 0.00 0.00 60.65 60.39 2pa4 s ILE 64 Cb -0.12 -4.12 -0.05 0.00 -1.58 0.00 0.00 42.46 36.58 2pa4 s ILE 64 CO 0.20 -0.24 0.03 0.28 -1.23 0.00 0.00 174.94 173.98 2pa4 s THR 65 N 3.63 1.51 0.25 2.92 -1.32 0.13 -0.09 115.64 122.66 2pa4 s THR 65 Ca 0.52 -2.00 0.11 0.00 -1.21 0.00 0.00 61.69 59.11 2pa4 s THR 65 Cb -0.19 -2.68 -0.05 0.00 -1.51 0.00 0.00 72.50 68.08 2pa4 s THR 65 CO 0.15 0.00 -0.14 0.00 -2.21 0.00 0.00 174.62 172.42 2pa4 s ALA 66 N -2.90 2.85 0.23 11.08 0.00 -1.26 -1.28 121.76 130.47 2pa4 s ALA 66 Ca 0.26 -1.73 -0.07 0.00 0.00 0.00 0.00 51.96 50.42 2pa4 s ALA 66 Cb 0.07 -0.47 0.33 0.00 0.00 0.00 0.00 23.12 23.05 2pa4 s ALA 66 CO 0.13 0.32 1.80 -1.35 0.00 0.00 0.00 175.76 176.67 2pa4 h PRO 67 N 2.38 0.69 0.00 0.00 0.11 -1.86 -2.23 132.00 131.10 2pa4 h PRO 67 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2pa4 h PRO 67 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2pa4 h PRO 67 CO 0.58 0.46 0.00 0.09 -0.21 0.00 0.00 178.00 178.92 2pa4 n ASN 68 N -4.78 0.00 -2.36 -2.05 3.02 -1.26 -4.23 115.26 103.60 2pa4 n ASN 68 Ca 0.11 -1.56 -0.26 0.00 -0.03 0.00 0.00 54.58 52.85 2pa4 n ASN 68 Cb 0.24 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.41 2pa4 n ASN 68 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2pa4 n LYS 69 N -0.70 3.43 0.25 3.52 5.02 -0.84 -4.87 118.16 123.97 2pa4 n LYS 69 Ca 0.10 -4.39 0.18 0.00 -2.02 0.00 0.00 58.31 52.18 2pa4 n LYS 69 Cb 0.04 -2.24 0.89 0.00 -0.02 0.00 0.00 35.03 33.71 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 2.48 1.56 0.00 7.82 0.00 -1.76 -2.07 119.26 127.28 2pa4 h ALA 70 Ca 0.31 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 2pa4 h ALA 70 Cb 1.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2pa4 h ALA 70 CO 0.81 -0.28 -0.22 0.78 0.00 0.00 0.00 179.25 180.34 2pa4 h GLY 71 N 0.00 0.00 0.92 0.00 0.00 -1.95 -2.54 103.07 99.51 2pa4 h GLY 71 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 2pa4 h GLY 71 CO -0.00 0.00 -0.18 -2.08 0.00 0.00 0.00 176.54 174.28 2pa4 h VAL 72 N 0.00 0.63 0.05 4.60 2.07 -1.78 -0.19 116.25 121.62 2pa4 h VAL 72 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2pa4 h VAL 72 Cb 0.50 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2pa4 h VAL 72 CO 0.03 0.00 -0.02 0.25 0.02 0.00 0.00 177.57 177.85 2pa4 h LEU 73 N -0.45 -0.05 -1.85 2.57 5.85 -1.73 -3.00 115.31 116.64 2pa4 h LEU 73 Ca -0.03 -0.19 0.19 0.00 0.84 0.00 0.00 57.88 58.69 2pa4 h LEU 73 Cb 0.37 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2pa4 h LEU 73 CO 0.03 0.16 0.52 0.00 -0.34 0.00 0.00 178.44 178.81 2pa4 h ALA 74 N 0.68 2.50 -0.07 1.25 0.00 -1.37 0.47 119.26 122.72 2pa4 h ALA 74 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2pa4 h ALA 74 Cb 0.24 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2pa4 h ALA 74 CO 0.01 -0.71 0.07 1.25 0.00 0.00 0.00 179.25 179.87 2pa4 h HIS 75 N 0.14 0.00 -0.58 0.00 -0.00 -0.88 -1.45 115.15 112.38 2pa4 h HIS 75 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.73 2pa4 h HIS 75 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.64 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 -4.06 0.78 -4.28 5.26 3.01 0.17 -4.57 117.46 113.77 2pa4 n PHE 76 Ca -0.01 -0.39 -0.19 0.00 1.01 0.00 0.00 57.45 57.87 2pa4 n PHE 76 Cb 0.17 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.53 2pa4 n PHE 76 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 2pa4 s GLU 77 N -1.22 1.12 0.25 -1.08 -1.05 -0.55 -4.16 118.70 112.02 2pa4 s GLU 77 Ca 0.41 -1.31 -0.30 0.00 -0.15 0.00 0.00 54.97 53.62 2pa4 s GLU 77 Cb 0.22 -1.07 -0.14 0.00 -0.44 0.00 0.00 34.13 32.70 2pa4 s GLU 77 CO 0.29 0.21 1.30 -2.13 0.95 0.00 0.00 175.26 175.87 2pa4 n ARG 78 N 0.42 1.82 -3.75 -4.83 0.63 -1.26 -4.93 116.66 104.77 2pa4 n ARG 78 Ca -0.14 0.65 -0.33 0.00 -0.92 0.00 0.00 57.85 57.10 2pa4 n ARG 78 Cb 0.57 -2.23 -0.09 0.00 0.45 0.00 0.00 32.46 31.16 2pa4 n ARG 78 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2pa4 s SER 79 N 0.03 5.46 0.07 6.15 0.15 -1.26 -4.98 113.70 119.32 2pa4 s SER 79 Ca 0.65 -3.65 -0.15 0.00 0.70 0.00 0.00 55.95 53.50 2pa4 s SER 79 Cb -0.67 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 61.80 2pa4 s SER 79 CO 0.54 -0.17 1.26 0.28 1.20 0.00 0.00 173.24 176.34 2pa4 h SER 80 N 5.93 -1.00 -0.61 5.45 0.02 -2.00 -2.18 113.55 119.16 2pa4 h SER 80 Ca 0.13 0.15 0.09 0.00 -0.84 0.00 0.00 61.79 61.32 2pa4 h SER 80 Cb 0.81 0.44 -0.04 0.00 0.14 0.00 0.00 62.40 63.75 2pa4 h SER 80 CO 0.79 -0.12 0.41 -0.08 -1.14 0.00 0.00 176.83 176.68 2pa4 h GLU 81 N -0.03 0.43 -0.13 3.45 4.81 -1.98 -0.99 114.58 120.13 2pa4 h GLU 81 Ca 0.07 -0.03 -0.22 0.00 -0.13 0.00 0.00 59.36 59.06 2pa4 h GLU 81 Cb 0.21 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.50 2pa4 h GLU 81 CO -0.41 0.28 -0.78 1.25 -0.73 0.00 0.00 179.01 178.62 2pa4 h LEU 82 N 0.44 0.84 -0.41 1.64 5.85 -1.90 -1.35 115.31 120.42 2pa4 h LEU 82 Ca 0.28 -0.56 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 2pa4 h LEU 82 Cb 0.51 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2pa4 h LEU 82 CO -0.08 1.34 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.94 2pa4 h GLU 83 N 0.48 0.78 -0.63 1.25 5.08 -1.06 -1.05 114.58 119.44 2pa4 h GLU 83 Ca -0.05 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 2pa4 h GLU 83 Cb 1.39 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.57 2pa4 h GLU 83 CO 0.15 0.91 0.33 0.93 -1.00 0.00 0.00 179.01 180.33 2pa4 h GLU 84 N 0.60 0.87 -0.20 2.33 5.08 -1.14 0.92 114.58 123.02 2pa4 h GLU 84 Ca 0.10 -0.10 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 2pa4 h GLU 84 Cb 0.62 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2pa4 h GLU 84 CO 0.04 0.65 -0.65 1.15 -1.00 0.00 0.00 179.01 179.20 2pa4 h THR 85 N 0.87 1.30 0.00 1.13 2.02 -0.98 -2.76 112.91 114.49 2pa4 h THR 85 Ca 0.22 -1.87 -0.02 0.00 0.77 0.00 0.00 66.41 65.51 2pa4 h THR 85 Cb 0.04 1.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2pa4 h THR 85 CO -0.03 0.59 -0.10 -0.07 0.37 0.00 0.00 175.52 176.28 2pa4 h LEU 86 N 0.54 0.00 0.15 2.58 3.38 -0.78 -3.26 115.31 117.92 2pa4 h LEU 86 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2pa4 h LEU 86 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2pa4 h LEU 86 CO 0.13 0.10 -0.07 0.24 0.09 0.00 0.00 178.44 178.93 2pa4 h MET 87 N 0.00 -0.19 -0.93 1.13 2.86 -0.74 0.49 114.93 117.55 2pa4 h MET 87 Ca -0.00 0.01 0.23 0.00 -2.06 0.00 0.00 59.70 57.88 2pa4 h MET 87 Cb 0.87 0.04 -0.17 0.00 0.06 0.00 0.00 31.60 32.41 2pa4 h MET 87 CO 0.01 0.25 -0.04 0.93 1.06 0.00 0.00 176.91 179.12 2pa4 h GLU 88 N -0.80 0.03 0.00 1.72 4.39 -1.53 1.58 114.58 119.97 2pa4 h GLU 88 Ca -0.02 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2pa4 h GLU 88 Cb 0.53 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2pa4 h GLU 88 CO 0.03 0.02 -0.02 0.54 -1.16 0.00 0.00 179.01 178.42 2pa4 n ARG 89 N -5.48 0.01 -2.78 2.33 1.74 -1.20 -4.94 116.66 106.34 2pa4 n ARG 89 Ca 0.19 0.01 -0.16 0.00 -0.77 0.00 0.00 57.85 57.12 2pa4 n ARG 89 Cb 0.62 -1.52 0.03 0.00 -1.02 0.00 0.00 32.46 30.57 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 1.49 -0.16 3.11 -0.13 0.00 0.54 -4.91 105.19 105.13 2pa4 n GLY 90 Ca 0.07 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.03 3.39 -0.27 1.61 4.76 0.16 -4.76 118.16 120.02 2pa4 n LYS 91 Ca -0.08 -3.47 -0.07 0.00 -2.87 0.00 0.00 58.31 51.82 2pa4 n LYS 91 Cb 0.59 -3.07 0.05 0.00 -1.84 0.00 0.00 35.03 30.75 2pa4 n LYS 91 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2pa4 h THR 92 N 4.25 1.26 -0.18 -0.18 2.02 -1.91 -2.57 112.91 115.61 2pa4 h THR 92 Ca 0.40 -0.91 -0.13 0.00 0.77 0.00 0.00 66.41 66.55 2pa4 h THR 92 Cb 0.73 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2pa4 h THR 92 CO 1.53 0.36 -0.44 -2.24 0.37 0.00 0.00 175.52 175.10 2pa4 h ASP 93 N 1.09 0.45 -0.39 4.18 3.04 -1.98 -2.93 116.42 119.88 2pa4 h ASP 93 Ca 0.24 -0.21 -0.05 0.00 -3.24 0.00 0.00 57.03 53.77 2pa4 h ASP 93 Cb 0.31 -0.13 -0.02 0.00 -1.04 0.00 0.00 39.33 38.45 2pa4 h ASP 93 CO -0.01 0.84 0.07 1.56 -2.04 0.00 0.00 179.24 179.66 2pa4 h GLN 94 N 0.35 0.73 -0.62 4.15 1.08 -1.90 -1.91 115.11 116.98 2pa4 h GLN 94 Ca 0.03 -0.16 -0.08 0.00 -1.45 0.00 0.00 58.65 56.99 2pa4 h GLN 94 Cb 0.91 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.21 2pa4 h GLN 94 CO 0.08 0.69 0.07 -0.39 -0.95 0.00 0.00 178.83 178.33 2pa4 h VAL 95 N 0.70 1.26 -0.52 -0.54 -1.51 -1.28 -2.67 116.25 111.69 2pa4 h VAL 95 Ca 0.15 -1.06 -0.11 0.00 -1.23 0.00 0.00 66.70 64.45 2pa4 h VAL 95 Cb 0.33 0.73 -0.02 0.00 -2.13 0.00 0.00 31.29 30.20 2pa4 h VAL 95 CO 0.00 0.39 -0.11 -0.33 -1.23 0.00 0.00 177.57 176.29 2pa4 h GLU 96 N 0.95 0.98 -0.52 5.19 5.08 -1.39 -2.99 114.58 121.88 2pa4 h GLU 96 Ca 0.18 -0.36 0.08 0.00 -1.00 0.00 0.00 59.36 58.27 2pa4 h GLU 96 Cb 0.47 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 2pa4 h GLU 96 CO 0.02 1.03 0.14 0.82 -1.00 0.00 0.00 179.01 180.02 2pa4 h ILE 97 N 0.87 0.75 -0.01 3.13 2.04 -1.16 -1.83 117.51 121.30 2pa4 h ILE 97 Ca 0.14 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2pa4 h ILE 97 Cb 0.67 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2pa4 h ILE 97 CO 0.05 0.05 0.00 2.30 0.00 0.00 0.00 178.15 180.55 2pa4 n ILE 98 N -5.07 0.02 0.14 -0.67 -5.35 -1.02 -3.21 119.36 104.20 2pa4 n ILE 98 Ca 0.06 -0.04 0.06 0.00 -0.27 0.00 0.00 62.75 62.56 2pa4 n ILE 98 Cb 0.24 -0.26 -0.09 0.00 -1.74 0.00 0.00 39.64 37.79 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 -0.71 1.01 -0.10 6.28 1.74 -0.76 -4.68 116.66 119.43 2pa4 n ARG 99 Ca 0.18 -0.09 -0.06 0.00 -0.77 0.00 0.00 57.85 57.11 2pa4 n ARG 99 Cb 0.12 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 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 -0.15 -0.29 5.56 9.65 -1.33 -2.11 114.38 125.71 2pa4 h ARG 100 Ca 0.00 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.92 2pa4 h ARG 100 Cb 0.51 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.10 2pa4 h ARG 100 CO 0.00 -0.10 0.10 0.00 2.80 0.00 0.00 179.97 182.77 2pa4 h ALA 101 N 1.05 0.33 -0.52 2.80 0.00 -1.83 -1.82 119.26 119.26 2pa4 h ALA 101 Ca 0.18 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2pa4 h ALA 101 Cb 0.44 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2pa4 h ALA 101 CO -0.46 -0.30 0.20 0.00 0.00 0.00 0.00 179.25 178.69 2pa4 h ALA 102 N 1.18 1.38 0.00 0.00 0.00 -1.68 -2.71 119.26 117.42 2pa4 h ALA 102 Ca 0.13 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2pa4 h ALA 102 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2pa4 h ALA 102 CO -0.12 0.47 -0.48 -0.44 0.00 0.00 0.00 179.25 178.68 2pa4 h ASP 103 N 0.74 0.00 -0.10 0.00 3.32 -0.99 -3.29 116.42 116.09 2pa4 h ASP 103 Ca 0.18 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2pa4 h ASP 103 Cb 0.16 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 2pa4 h ASP 103 CO -0.02 0.48 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.89 2pa4 h LEU 104 N 0.00 0.20 -7.00 1.55 3.38 -1.00 -3.48 115.31 108.96 2pa4 h LEU 104 Ca -0.00 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.62 2pa4 h LEU 104 Cb 0.89 -0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.44 2pa4 h LEU 104 CO 0.06 0.51 0.31 -0.51 0.09 0.00 0.00 178.44 178.90 2pa4 s ILE 105 N -4.77 0.00 -0.21 1.22 2.07 -1.21 -4.76 121.20 113.54 2pa4 s ILE 105 Ca -0.15 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 58.87 2pa4 s ILE 105 Cb 0.05 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.62 2pa4 s ILE 105 CO 0.71 0.00 0.71 -0.54 -1.91 0.00 0.00 174.94 173.91 2pa4 s LYS 106 N -3.08 4.20 -0.09 3.50 1.02 -1.21 -4.64 119.74 119.44 2pa4 s LYS 106 Ca 0.00 0.75 -0.17 0.00 0.02 0.00 0.00 55.97 56.57 2pa4 s LYS 106 Cb -0.01 -3.60 -0.05 0.00 -0.52 0.00 0.00 37.83 33.65 2pa4 s LYS 106 CO -0.08 -0.35 0.45 0.00 -0.92 0.00 0.00 175.35 174.46 2pa4 s ALA 107 N 2.26 3.53 -0.20 5.17 0.00 -1.26 -0.73 121.76 130.52 2pa4 s ALA 107 Ca 0.31 -0.21 -0.02 0.00 0.00 0.00 0.00 51.96 52.05 2pa4 s ALA 107 Cb -0.16 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.38 2pa4 s ALA 107 CO 0.10 0.10 -0.11 0.08 0.00 0.00 0.00 175.76 175.93 2pa4 s VAL 108 N 0.26 2.84 0.40 0.00 1.01 0.11 -4.93 120.40 120.09 2pa4 s VAL 108 Ca 0.25 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 2pa4 s VAL 108 Cb -0.15 -2.26 -0.10 0.00 0.00 0.00 0.00 36.38 33.86 2pa4 s VAL 108 CO 0.11 0.47 0.97 -2.16 0.00 0.00 0.00 175.10 174.48 2pa4 s PRO 109 N 1.40 4.30 -0.14 2.72 0.04 -1.26 -1.80 135.00 140.26 2pa4 s PRO 109 Ca 0.05 1.24 -0.04 0.00 0.04 0.00 0.00 61.00 62.30 2pa4 s PRO 109 Cb -0.14 -2.40 0.05 0.00 0.04 0.00 0.00 34.50 32.05 2pa4 s PRO 109 CO -0.07 0.02 0.10 0.08 0.04 0.00 0.00 177.00 177.17 2pa4 s VAL 110 N -1.93 -0.13 0.10 -0.36 1.01 -0.29 -4.89 120.40 113.91 2pa4 s VAL 110 Ca 0.58 0.02 -0.27 0.00 0.00 0.00 0.00 61.98 62.31 2pa4 s VAL 110 Cb -0.14 -0.46 -0.06 0.00 0.00 0.00 0.00 36.38 35.72 2pa4 s VAL 110 CO 0.18 -0.13 0.86 -0.89 0.00 0.00 0.00 175.10 175.12 2pa4 s THR 111 N 2.17 4.54 -0.38 3.92 2.01 -1.26 0.19 115.64 126.83 2pa4 s THR 111 Ca 0.03 1.85 0.04 0.00 0.31 0.00 0.00 61.69 63.92 2pa4 s THR 111 Cb -0.15 -4.22 0.11 0.00 0.01 0.00 0.00 72.50 68.25 2pa4 s THR 111 CO -0.08 0.38 0.10 -1.58 -0.69 0.00 0.00 174.62 172.75 2pa4 s GLN 112 N -0.27 1.57 0.30 4.92 0.74 -0.41 -4.90 119.66 121.62 2pa4 s GLN 112 Ca 0.42 -2.03 0.06 0.00 0.05 0.00 0.00 55.36 53.86 2pa4 s GLN 112 Cb -0.22 -3.18 0.77 0.00 1.10 0.00 0.00 33.01 31.47 2pa4 s GLN 112 CO 0.27 -0.98 1.74 -0.44 -0.55 0.00 0.00 175.29 175.33 2pa4 h ASP 113 N 7.35 0.64 -3.83 6.67 3.32 -1.96 -3.41 116.42 125.20 2pa4 h ASP 113 Ca -0.05 0.12 -0.34 0.00 0.02 0.00 0.00 57.03 56.78 2pa4 h ASP 113 Cb 0.99 0.02 -0.29 0.00 0.22 0.00 0.00 39.33 40.27 2pa4 h ASP 113 CO 0.56 0.16 -0.76 -0.54 -1.72 0.00 0.00 179.24 176.94 2pa4 s LYS 114 N -5.84 0.47 -0.68 3.56 1.02 -1.26 -4.77 119.74 112.23 2pa4 s LYS 114 Ca -0.11 -0.16 -0.22 0.00 0.02 0.00 0.00 55.97 55.50 2pa4 s LYS 114 Cb 0.25 -0.47 -0.18 0.00 -0.52 0.00 0.00 37.83 36.92 2pa4 s LYS 114 CO 0.79 0.08 1.89 -0.35 -0.92 0.00 0.00 175.35 176.84 2pa4 n PRO 115 N 3.15 1.35 0.00 -1.68 -0.04 -1.26 -4.70 135.00 131.81 2pa4 n PRO 115 Ca -0.15 -1.71 0.08 0.00 -0.04 0.00 0.00 63.50 61.67 2pa4 n PRO 115 Cb 0.57 -2.83 0.40 0.00 -0.04 0.00 0.00 33.50 31.59 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 7.45 0.00 0.00 1.53 4.77 -1.26 -4.95 117.00 124.54 2pa4 n LEU 116 Ca 0.49 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 2pa4 n LEU 116 Cb 0.39 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2pa4 n LEU 116 CO 1.04 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 2pa4 n GLY 117 N 0.03 3.46 0.25 -0.72 0.00 -1.26 -0.19 105.19 106.76 2pa4 n GLY 117 Ca 0.08 -1.83 -0.03 0.00 0.00 0.00 0.00 46.02 44.24 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 0.53 -0.03 0.99 5.85 -1.91 -2.41 115.31 118.32 2pa4 h LEU 118 Ca 0.00 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2pa4 h LEU 118 Cb 0.00 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 2pa4 h LEU 118 CO 0.00 0.70 0.01 1.23 -0.34 0.00 0.00 178.44 180.04 2pa4 h GLY 119 N 0.95 0.04 0.41 3.75 0.00 -0.40 -2.19 103.07 105.63 2pa4 h GLY 119 Ca 0.09 -0.02 0.11 0.00 0.00 0.00 0.00 47.33 47.50 2pa4 h GLY 119 CO 0.03 0.02 0.39 0.84 0.00 0.00 0.00 176.54 177.83 2pa4 h HIS 120 N -0.11 0.70 -0.74 5.60 -0.00 -1.46 -1.04 115.15 118.10 2pa4 h HIS 120 Ca 0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 2pa4 h HIS 120 Cb 0.16 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.33 2pa4 h HIS 120 CO -0.02 0.23 0.42 0.00 -0.00 0.00 0.00 177.93 178.56 2pa4 h ALA 121 N 1.47 0.95 -0.46 5.26 0.00 -1.18 -1.98 119.26 123.32 2pa4 h ALA 121 Ca 0.39 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2pa4 h ALA 121 Cb 0.44 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2pa4 h ALA 121 CO -0.29 0.45 0.20 0.28 0.00 0.00 0.00 179.25 179.89 2pa4 h VAL 122 N 1.02 1.19 -0.80 0.00 2.07 -0.71 -2.20 116.25 116.83 2pa4 h VAL 122 Ca 0.26 -0.58 0.18 0.00 0.82 0.00 0.00 66.70 67.38 2pa4 h VAL 122 Cb 0.01 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 2pa4 h VAL 122 CO -0.04 0.22 0.54 1.23 0.02 0.00 0.00 177.57 179.53 2pa4 h GLY 123 N 0.60 0.62 2.00 2.17 0.00 -0.67 0.31 103.07 108.10 2pa4 h GLY 123 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2pa4 h GLY 123 CO -0.02 0.03 0.00 1.04 0.00 0.00 0.00 176.54 177.59 2pa4 n LEU 124 N -4.46 0.69 -0.03 3.11 4.77 -0.80 -2.57 117.00 117.71 2pa4 n LEU 124 Ca 0.16 0.67 0.14 0.00 -0.03 0.00 0.00 56.01 56.94 2pa4 n LEU 124 Cb 0.64 -0.57 0.52 0.00 -2.33 0.00 0.00 43.42 41.68 2pa4 n LEU 124 CO 0.33 -0.56 0.80 0.00 -1.33 0.00 0.00 177.39 176.64 2pa4 n ALA 125 N -1.78 2.79 -0.20 -1.18 0.00 0.11 -4.35 120.51 115.90 2pa4 n ALA 125 Ca 0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 53.44 53.20 2pa4 n ALA 125 Cb 0.24 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.37 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 0.16 -0.13 0.00 0.00 4.81 -1.61 -2.24 114.58 115.56 2pa4 h GLU 126 Ca 0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2pa4 h GLU 126 Cb 0.45 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 2pa4 h GLU 126 CO 0.00 -0.09 -0.10 0.66 -0.73 0.00 0.00 179.01 178.75 2pa4 h SER 127 N -0.14 0.00 1.35 1.04 4.64 -1.85 -2.98 113.55 115.61 2pa4 h SER 127 Ca 0.24 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 2pa4 h SER 127 Cb 0.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2pa4 h SER 127 CO -0.66 0.10 -0.12 0.58 -0.87 0.00 0.00 176.83 175.85 2pa4 h VAL 128 N 0.00 0.26 -4.05 0.95 2.07 -1.67 -3.46 116.25 110.35 2pa4 h VAL 128 Ca -0.00 -1.04 -0.45 0.00 0.82 0.00 0.00 66.70 66.03 2pa4 h VAL 128 Cb 0.35 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2pa4 h VAL 128 CO 0.01 0.12 0.35 -0.76 0.02 0.00 0.00 177.57 177.32 2pa4 s LEU 129 N -6.39 3.96 0.33 2.57 1.43 -1.13 -5.01 118.68 114.44 2pa4 s LEU 129 Ca 0.03 1.76 -0.28 0.00 -1.03 0.00 0.00 54.13 54.61 2pa4 s LEU 129 Cb 0.08 -4.49 -0.09 0.00 0.03 0.00 0.00 46.19 41.71 2pa4 s LEU 129 CO 0.63 -0.43 1.16 -1.81 0.23 0.00 0.00 176.35 176.13 2pa4 s ASP 130 N -2.08 6.95 0.56 2.29 1.11 -1.26 -4.88 116.67 119.36 2pa4 s ASP 130 Ca 0.62 2.37 0.25 0.00 0.18 0.00 0.00 52.55 55.97 2pa4 s ASP 130 Cb -0.12 -2.63 1.49 0.00 1.07 0.00 0.00 42.92 42.74 2pa4 s ASP 130 CO 0.16 -0.38 2.08 0.44 1.18 0.00 0.00 175.17 178.64 2pa4 h ASP 131 N 3.35 0.00 0.26 0.27 3.32 -1.96 0.41 116.42 122.07 2pa4 h ASP 131 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2pa4 h ASP 131 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2pa4 h ASP 131 CO 0.65 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.64 2pa4 n ASP 132 N -4.14 0.00 -4.67 6.45 8.00 -1.26 -4.79 116.55 116.15 2pa4 n ASP 132 Ca 0.03 -0.13 -0.42 0.00 0.71 0.00 0.00 54.79 54.99 2pa4 n ASP 132 Cb 0.37 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.22 2pa4 n ASP 132 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2pa4 s GLU 133 N -2.43 4.29 0.08 -1.24 2.02 0.13 -4.97 118.70 116.58 2pa4 s GLU 133 Ca 0.20 1.07 -0.01 0.00 0.02 0.00 0.00 54.97 56.25 2pa4 s GLU 133 Cb 0.12 -3.59 -0.26 0.00 0.10 0.00 0.00 34.13 30.50 2pa4 s GLU 133 CO 0.26 -0.38 1.16 0.22 0.02 0.00 0.00 175.26 176.55 2pa4 h ASP 134 N 7.37 0.31 -3.12 -0.19 3.58 -1.86 -3.48 116.42 119.02 2pa4 h ASP 134 Ca -0.28 -0.34 -0.47 0.00 0.42 0.00 0.00 57.03 56.36 2pa4 h ASP 134 Cb 1.12 -0.10 -0.14 0.00 1.72 0.00 0.00 39.33 41.93 2pa4 h ASP 134 CO 0.86 1.27 -0.66 -0.69 -2.88 0.00 0.00 179.24 177.13 2pa4 s VAL 135 N -2.67 1.49 -0.49 2.25 1.01 -1.26 -4.30 120.40 116.43 2pa4 s VAL 135 Ca -0.03 -2.09 -0.04 0.00 0.00 0.00 0.00 61.98 59.81 2pa4 s VAL 135 Cb 0.08 -2.47 0.13 0.00 0.00 0.00 0.00 36.38 34.12 2pa4 s VAL 135 CO 0.87 -0.27 0.31 -0.69 0.00 0.00 0.00 175.10 175.31 2pa4 s VAL 136 N -3.11 3.65 -0.24 2.92 1.01 0.92 -4.93 120.40 120.61 2pa4 s VAL 136 Ca 0.30 -2.26 -0.24 0.00 0.00 0.00 0.00 61.98 59.78 2pa4 s VAL 136 Cb 0.05 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 2pa4 s VAL 136 CO 0.12 -0.77 0.81 0.00 0.00 0.00 0.00 175.10 175.26 2pa4 s ALA 137 N 0.84 3.65 -0.17 5.51 0.00 -1.26 -1.04 121.76 129.29 2pa4 s ALA 137 Ca 0.10 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.91 2pa4 s ALA 137 Cb -0.22 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.64 2pa4 s ALA 137 CO -0.03 -0.91 -0.17 0.08 0.00 0.00 0.00 175.76 174.72 2pa4 s VAL 138 N 2.80 2.40 -0.17 0.00 1.01 0.11 0.11 120.40 126.66 2pa4 s VAL 138 Ca 0.34 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2pa4 s VAL 138 Cb -0.15 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.25 2pa4 s VAL 138 CO 0.07 0.52 -0.12 -0.04 0.00 0.00 0.00 175.10 175.54 2pa4 s MET 139 N 1.05 2.09 -0.09 2.72 -1.94 -0.71 -1.08 119.30 121.34 2pa4 s MET 139 Ca -0.01 -0.67 -0.30 0.00 -1.71 0.00 0.00 55.69 53.00 2pa4 s MET 139 Cb -0.14 -2.22 -0.02 0.00 2.01 0.00 0.00 34.83 34.46 2pa4 s MET 139 CO -0.05 -0.34 1.02 -0.51 -0.01 0.00 0.00 175.02 175.13 2pa4 s LEU 140 N 1.46 4.26 0.00 -0.03 1.43 -0.42 -4.29 118.68 121.09 2pa4 s LEU 140 Ca 0.02 1.57 0.16 0.00 -1.03 0.00 0.00 54.13 54.85 2pa4 s LEU 140 Cb -0.14 -3.56 0.76 0.00 0.03 0.00 0.00 46.19 43.27 2pa4 s LEU 140 CO -0.09 -0.44 1.50 -0.81 0.23 0.00 0.00 176.35 176.73 2pa4 n PRO 141 N 4.93 0.11 -0.90 1.29 -0.04 -1.26 -2.84 135.00 136.29 2pa4 n PRO 141 Ca 0.09 0.18 -0.07 0.00 -0.04 0.00 0.00 63.50 63.65 2pa4 n PRO 141 Cb 0.49 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.40 3.49 -3.58 3.54 5.75 -1.26 -3.75 116.55 119.34 2pa4 n ASP 142 Ca 0.06 -3.51 -0.14 0.00 -0.01 0.00 0.00 54.79 51.19 2pa4 n ASP 142 Cb 0.16 -0.70 -0.13 0.00 -1.03 0.00 0.00 41.12 39.43 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 -1.84 0.63 -0.22 -1.12 -1.08 -1.13 -0.62 116.67 111.29 2pa4 s ASP 143 Ca 0.49 0.33 -0.09 0.00 -0.52 0.00 0.00 52.55 52.76 2pa4 s ASP 143 Cb 0.42 0.65 -0.04 0.00 -1.46 0.00 0.00 42.92 42.49 2pa4 s ASP 143 CO 0.07 -0.27 0.11 -0.76 0.52 0.00 0.00 175.17 174.83 2pa4 s LEU 144 N 2.41 3.87 -0.24 -1.34 1.43 0.13 -4.81 118.68 120.13 2pa4 s LEU 144 Ca 0.04 0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.16 2pa4 s LEU 144 Cb -0.13 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.09 2pa4 s LEU 144 CO -0.10 0.09 -0.07 -0.69 0.23 0.00 0.00 176.35 175.81 2pa4 s VAL 145 N 0.89 2.89 0.07 -1.59 1.01 -1.26 -0.29 120.40 122.12 2pa4 s VAL 145 Ca 0.05 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.18 2pa4 s VAL 145 Cb -0.13 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2pa4 s VAL 145 CO 0.03 0.25 -0.24 -0.76 0.00 0.00 0.00 175.10 174.37 2pa4 s LEU 146 N 1.34 2.21 0.87 3.92 1.43 -0.12 -3.96 118.68 124.38 2pa4 s LEU 146 Ca 0.01 -0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 2pa4 s LEU 146 Cb -0.16 -1.15 0.12 0.00 0.03 0.00 0.00 46.19 45.03 2pa4 s LEU 146 CO -0.05 0.20 1.13 -2.16 0.23 0.00 0.00 176.35 175.70 2pa4 s PRO 147 N -1.44 1.44 0.48 1.29 0.04 -1.26 -3.06 135.00 132.49 2pa4 s PRO 147 Ca 0.10 0.37 -0.23 0.00 0.04 0.00 0.00 61.00 61.28 2pa4 s PRO 147 Cb -0.10 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 2pa4 s PRO 147 CO 0.03 -2.01 1.29 0.95 0.04 0.00 0.00 177.00 177.30 2pa4 s THR 148 N -3.26 2.52 0.00 1.26 -4.23 -1.25 -4.46 115.64 106.20 2pa4 s THR 148 Ca 0.63 0.41 0.00 0.00 -1.18 0.00 0.00 61.69 61.55 2pa4 s THR 148 Cb -0.14 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.48 2pa4 s THR 148 CO 0.53 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 2pa4 n GLY 149 N 0.61 0.57 0.37 3.99 0.00 -1.26 -5.01 105.19 104.46 2pa4 n GLY 149 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 0.84 -0.81 1.61 3.04 -1.91 -1.28 116.25 117.74 2pa4 h VAL 150 Ca 0.00 -0.14 0.02 0.00 -1.01 0.00 0.00 66.70 65.56 2pa4 h VAL 150 Cb 0.00 0.39 -0.04 0.00 -2.01 0.00 0.00 31.29 29.62 2pa4 h VAL 150 CO 0.00 0.08 0.53 0.24 -1.01 0.00 0.00 177.57 177.41 2pa4 h MET 151 N 0.42 1.04 -0.65 4.17 2.86 -1.97 -0.43 114.93 120.36 2pa4 h MET 151 Ca 0.33 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.90 2pa4 h MET 151 Cb 0.71 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 2pa4 h MET 151 CO -0.10 0.69 0.39 0.93 1.06 0.00 0.00 176.91 179.87 2pa4 h GLU 152 N 1.07 0.89 -0.59 1.72 5.08 -1.65 -1.55 114.58 119.56 2pa4 h GLU 152 Ca 0.31 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 2pa4 h GLU 152 Cb -0.08 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 28.96 2pa4 h GLU 152 CO -0.08 0.64 0.11 -0.09 -1.00 0.00 0.00 179.01 178.59 2pa4 h ARG 153 N 0.89 0.94 -0.36 2.33 9.65 -1.20 -2.65 114.38 123.97 2pa4 h ARG 153 Ca 0.23 -0.22 -0.05 0.00 -1.10 0.00 0.00 59.98 58.84 2pa4 h ARG 153 Cb -0.01 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.43 2pa4 h ARG 153 CO -0.04 0.86 0.01 0.52 2.80 0.00 0.00 179.97 184.12 2pa4 h MET 154 N 0.89 0.55 -0.21 0.20 2.86 -0.69 -2.25 114.93 116.28 2pa4 h MET 154 Ca 0.19 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.61 2pa4 h MET 154 Cb 0.37 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2pa4 h MET 154 CO 0.01 0.57 -0.29 0.00 1.06 0.00 0.00 176.91 178.26 2pa4 h ALA 155 N 1.49 1.12 -0.31 6.32 0.00 -0.96 -1.37 119.26 125.55 2pa4 h ALA 155 Ca 0.11 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 2pa4 h ALA 155 Cb 0.33 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2pa4 h ALA 155 CO 0.01 0.56 -0.36 1.96 0.00 0.00 0.00 179.25 181.42 2pa4 h GLN 156 N 0.36 0.79 -0.63 0.00 4.20 -1.18 -0.45 115.11 118.20 2pa4 h GLN 156 Ca 0.05 -0.43 -0.02 0.00 0.06 0.00 0.00 58.65 58.31 2pa4 h GLN 156 Cb 0.69 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 2pa4 h GLN 156 CO 0.05 1.06 0.33 0.28 -0.67 0.00 0.00 178.83 179.89 2pa4 h VAL 157 N 0.55 1.21 -0.57 -0.54 2.07 -1.21 -2.42 116.25 115.33 2pa4 h VAL 157 Ca 0.04 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 2pa4 h VAL 157 Cb 0.94 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2pa4 h VAL 157 CO 0.09 0.23 0.18 -0.09 0.02 0.00 0.00 177.57 178.00 2pa4 h ARG 158 N 0.86 0.89 0.00 1.57 2.43 -1.09 -0.68 114.38 118.36 2pa4 h ARG 158 Ca 0.22 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2pa4 h ARG 158 Cb 0.07 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2pa4 h ARG 158 CO -0.03 0.80 -0.05 0.00 -1.51 0.00 0.00 179.97 179.18 2pa4 h ALA 159 N 1.05 1.32 0.09 2.80 0.00 -0.73 0.54 119.26 124.34 2pa4 h ALA 159 Ca 0.19 -0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.68 2pa4 h ALA 159 Cb 0.28 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2pa4 h ALA 159 CO -0.01 0.06 -2.12 -1.91 0.00 0.00 0.00 179.25 175.27 2pa4 n GLU 160 N -3.60 0.73 0.00 0.00 2.13 -0.94 -4.52 120.64 114.44 2pa4 n GLU 160 Ca -0.02 0.23 0.06 0.00 0.66 0.00 0.00 57.16 58.09 2pa4 n GLU 160 Cb 0.15 -1.66 -0.05 0.00 0.27 0.00 0.00 31.44 30.15 2pa4 n GLU 160 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2pa4 n PHE 161 N -3.43 0.00 -4.75 4.31 3.01 -0.30 -5.10 117.46 111.20 2pa4 n PHE 161 Ca -0.35 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.11 2pa4 n PHE 161 Cb 1.03 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.50 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 1.21 0.39 7.00 1.37 0.00 0.19 -4.96 105.19 110.39 2pa4 n GLY 162 Ca 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 0.30 3.66 -0.02 0.00 -1.26 -4.71 105.19 103.15 2pa4 n GLY 163 Ca 0.00 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 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 5.02 -0.02 1.61 0.01 0.05 -4.45 113.70 111.92 2pa4 s SER 164 Ca 0.00 -0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.26 2pa4 s SER 164 Cb 0.00 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.94 2pa4 s SER 164 CO 0.00 0.29 -0.08 -0.69 0.41 0.00 0.00 173.24 173.17 2pa4 s VAL 165 N -1.05 0.68 0.36 3.43 1.01 0.24 -1.77 120.40 123.31 2pa4 s VAL 165 Ca 0.18 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 61.93 2pa4 s VAL 165 Cb -0.11 -0.62 -0.07 0.00 0.00 0.00 0.00 36.38 35.58 2pa4 s VAL 165 CO 0.09 0.22 -0.02 -0.76 0.00 0.00 0.00 175.10 174.63 2pa4 s LEU 166 N 0.22 2.68 -0.08 3.92 1.02 -0.75 -0.36 118.68 125.33 2pa4 s LEU 166 Ca -0.03 -1.30 0.04 0.00 0.02 0.00 0.00 54.13 52.86 2pa4 s LEU 166 Cb -0.08 -0.81 -0.02 0.00 0.02 0.00 0.00 46.19 45.30 2pa4 s LEU 166 CO 0.00 -0.39 -0.19 0.00 0.02 0.00 0.00 176.35 175.79 2pa4 s ALA 168 N -0.17 1.94 0.02 0.00 0.00 0.62 -1.35 121.76 122.83 2pa4 s ALA 168 Ca -0.02 -1.43 0.02 0.00 0.00 0.00 0.00 51.96 50.53 2pa4 s ALA 168 Cb -0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 2pa4 s ALA 168 CO 0.04 0.26 -0.07 0.14 0.00 0.00 0.00 175.76 176.13 2pa4 s VAL 169 N -1.86 0.49 0.21 0.00 -7.23 -0.74 0.48 120.40 111.75 2pa4 s VAL 169 Ca 0.13 -0.69 -0.30 0.00 -1.81 0.00 0.00 61.98 59.31 2pa4 s VAL 169 Cb -0.07 -0.50 -0.08 0.00 0.56 0.00 0.00 36.38 36.30 2pa4 s VAL 169 CO 0.06 -0.15 1.08 -0.70 -0.31 0.00 0.00 175.10 175.07 2pa4 s GLU 170 N -0.92 4.64 0.08 4.82 2.12 -1.26 -1.68 118.70 126.50 2pa4 s GLU 170 Ca -0.04 1.71 0.05 0.00 0.36 0.00 0.00 54.97 57.04 2pa4 s GLU 170 Cb -0.06 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 2pa4 s GLU 170 CO 0.00 0.16 -0.14 0.14 -0.54 0.00 0.00 175.26 174.88 2pa4 s VAL 171 N -0.57 1.16 0.97 3.70 -7.23 0.92 -4.94 120.40 114.40 2pa4 s VAL 171 Ca 0.47 -1.39 -0.11 0.00 -1.81 0.00 0.00 61.98 59.14 2pa4 s VAL 171 Cb -0.29 -1.16 0.17 0.00 0.56 0.00 0.00 36.38 35.65 2pa4 s VAL 171 CO 0.36 -0.26 1.09 -0.55 -0.31 0.00 0.00 175.10 175.43 2pa4 s SER 172 N -1.87 2.71 0.42 4.85 0.15 -1.26 -4.81 113.70 113.89 2pa4 s SER 172 Ca 0.00 1.71 0.11 0.00 0.70 0.00 0.00 55.95 58.47 2pa4 s SER 172 Cb -0.09 -2.33 0.96 0.00 -1.71 0.00 0.00 66.02 62.85 2pa4 s SER 172 CO 0.02 -3.15 2.00 -0.33 1.20 0.00 0.00 173.24 172.98 2pa4 h GLU 173 N -1.90 0.46 -0.77 5.44 5.08 -1.99 -2.06 114.58 118.84 2pa4 h GLU 173 Ca -0.51 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 57.86 2pa4 h GLU 173 Cb 1.29 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 2pa4 h GLU 173 CO 0.50 0.30 0.51 0.00 -1.00 0.00 0.00 179.01 179.31 2pa4 h ALA 174 N 1.71 1.53 -0.00 3.43 0.00 -2.04 -2.75 119.26 121.14 2pa4 h ALA 174 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2pa4 h ALA 174 Cb 0.35 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2pa4 h ALA 174 CO -0.07 0.40 -0.41 -0.25 0.00 0.00 0.00 179.25 178.92 2pa4 n ASP 175 N -4.45 0.87 -0.05 0.00 8.00 -0.79 -4.57 116.55 115.56 2pa4 n ASP 175 Ca 0.10 -0.68 -0.08 0.00 0.71 0.00 0.00 54.79 54.84 2pa4 n ASP 175 Cb 0.11 0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 41.44 2pa4 n ASP 175 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2pa4 h VAL 176 N 0.73 0.54 0.00 2.53 2.07 -1.30 -2.88 116.25 117.93 2pa4 h VAL 176 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2pa4 h VAL 176 Cb 0.52 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2pa4 h VAL 176 CO 0.00 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.05 2pa4 n SER 177 N -5.32 0.00 -0.00 0.57 3.41 -1.23 -2.34 113.62 108.71 2pa4 n SER 177 Ca -0.01 -0.27 0.10 0.00 -0.26 0.00 0.00 58.87 58.44 2pa4 n SER 177 Cb 0.24 -0.09 -0.12 0.00 -0.26 0.00 0.00 64.21 63.98 2pa4 n SER 177 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2pa4 n LYS 178 N -1.09 0.19 -4.63 4.33 5.02 -1.09 -4.52 118.16 116.38 2pa4 n LYS 178 Ca 0.09 -0.05 -0.28 0.00 -2.02 0.00 0.00 58.31 56.04 2pa4 n LYS 178 Cb 0.06 -1.51 -0.09 0.00 -0.02 0.00 0.00 35.03 33.47 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 -3.15 1.99 -0.20 2.13 4.12 -0.99 -4.84 117.35 116.42 2pa4 s TYR 179 Ca 0.04 -0.98 -0.24 0.00 0.02 0.00 0.00 57.07 55.90 2pa4 s TYR 179 Cb 0.15 -1.48 -0.01 0.00 -1.52 0.00 0.00 41.96 39.10 2pa4 s TYR 179 CO 0.87 0.11 0.79 0.20 0.02 0.00 0.00 175.55 177.54 2pa4 s GLY 180 N -3.72 1.98 -0.16 0.71 0.00 -1.26 -0.45 107.32 104.42 2pa4 s GLY 180 Ca 0.20 -0.08 -0.04 0.00 0.00 0.00 0.00 44.72 44.81 2pa4 s GLY 180 CO 0.11 1.65 -0.03 -0.42 0.00 0.00 0.00 173.10 174.41 2pa4 s ILE 181 N 2.34 3.94 0.36 0.90 -1.09 0.18 0.93 121.20 128.76 2pa4 s ILE 181 Ca 0.35 -0.34 -0.13 0.00 -2.23 0.00 0.00 60.65 58.30 2pa4 s ILE 181 Cb -0.16 -2.73 -0.08 0.00 -1.58 0.00 0.00 42.46 37.91 2pa4 s ILE 181 CO 0.10 0.49 0.75 -0.36 -1.23 0.00 0.00 174.94 174.69 2pa4 s PHE 182 N 0.41 3.41 -0.39 3.97 0.40 -0.71 -1.69 117.98 123.38 2pa4 s PHE 182 Ca -0.03 1.16 -0.09 0.00 -0.60 0.00 0.00 56.93 57.37 2pa4 s PHE 182 Cb -0.14 -2.50 0.06 0.00 0.51 0.00 0.00 43.02 40.94 2pa4 s PHE 182 CO 0.03 0.01 0.21 -1.21 0.70 0.00 0.00 175.22 174.96 2pa4 s GLU 183 N -3.32 2.64 0.23 0.44 2.02 0.80 -3.89 118.70 117.62 2pa4 s GLU 183 Ca 0.53 -1.32 -0.30 0.00 0.02 0.00 0.00 54.97 53.91 2pa4 s GLU 183 Cb -0.10 -3.69 -0.09 0.00 0.10 0.00 0.00 34.13 30.35 2pa4 s GLU 183 CO 0.23 -0.83 1.25 0.42 0.02 0.00 0.00 175.26 176.34 2pa4 s ILE 184 N 1.44 3.25 -0.20 -1.63 -1.09 -1.26 0.21 121.20 121.93 2pa4 s ILE 184 Ca 0.02 1.11 -0.16 0.00 -2.23 0.00 0.00 60.65 59.39 2pa4 s ILE 184 Cb -0.21 -3.71 -0.08 0.00 -1.58 0.00 0.00 42.46 36.88 2pa4 s ILE 184 CO 0.03 0.20 -0.24 1.21 -1.23 0.00 0.00 174.94 174.91 2pa4 n GLU 185 N 2.05 0.53 -3.45 2.79 2.13 -0.01 -4.60 120.64 120.09 2pa4 n GLU 185 Ca 0.03 0.34 -0.13 0.00 0.66 0.00 0.00 57.16 58.07 2pa4 n GLU 185 Cb 0.43 -1.54 -0.03 0.00 0.27 0.00 0.00 31.44 30.57 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 -2.70 -1.59 0.26 4.31 0.00 -1.21 -5.02 121.76 115.81 2pa4 s ALA 186 Ca -0.28 0.59 -0.29 0.00 0.00 0.00 0.00 51.96 51.98 2pa4 s ALA 186 Cb 0.06 0.74 -0.09 0.00 0.00 0.00 0.00 23.12 23.84 2pa4 s ALA 186 CO 0.42 -0.70 0.94 -0.51 0.00 0.00 0.00 175.76 175.90 2pa4 s ASP 187 N -2.51 7.54 0.33 0.00 1.11 -1.26 -2.09 116.67 119.79 2pa4 s ASP 187 Ca -0.01 1.90 0.04 0.00 0.18 0.00 0.00 52.55 54.67 2pa4 s ASP 187 Cb -0.01 -2.60 0.04 0.00 1.07 0.00 0.00 42.92 41.43 2pa4 s ASP 187 CO -0.09 0.09 0.37 0.35 1.18 0.00 0.00 175.17 177.06 2pa4 n THR 188 N 1.19 0.00 -0.35 -1.27 -2.24 -1.04 -4.90 114.28 105.68 2pa4 n THR 188 Ca -0.01 -1.20 0.09 0.00 -2.27 0.00 0.00 64.05 60.66 2pa4 n THR 188 Cb 0.48 -0.50 0.19 0.00 -2.10 0.00 0.00 70.33 68.40 2pa4 n THR 188 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2pa4 n LYS 189 N -1.53 -0.08 -3.56 -0.78 4.81 -1.26 -4.39 118.16 111.36 2pa4 n LYS 189 Ca 0.05 1.50 -0.37 0.00 -0.87 0.00 0.00 58.31 58.62 2pa4 n LYS 189 Cb 0.36 -2.29 -0.06 0.00 0.02 0.00 0.00 35.03 33.06 2pa4 n LYS 189 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2pa4 s ASP 190 N -5.17 6.74 0.33 3.14 1.01 -1.26 -5.02 116.67 116.43 2pa4 s ASP 190 Ca -0.14 0.88 0.01 0.00 0.71 0.00 0.00 52.55 54.01 2pa4 s ASP 190 Cb 0.27 -2.22 0.56 0.00 1.01 0.00 0.00 42.92 42.55 2pa4 s ASP 190 CO 0.76 0.31 1.99 0.77 0.21 0.00 0.00 175.17 179.21 2pa4 h SER 191 N 4.59 0.82 0.48 0.27 4.64 -2.01 -2.70 113.55 119.64 2pa4 h SER 191 Ca -0.52 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2pa4 h SER 191 Cb 1.22 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2pa4 h SER 191 CO 0.62 0.59 -0.03 -0.90 -0.87 0.00 0.00 176.83 176.23 2pa4 n ASP 192 N -4.43 0.11 -4.33 4.97 3.85 -1.26 -4.80 116.55 110.66 2pa4 n ASP 192 Ca 0.08 -0.30 -0.33 0.00 -0.71 0.00 0.00 54.79 53.53 2pa4 n ASP 192 Cb 0.06 -0.21 -0.15 0.00 -1.35 0.00 0.00 41.12 39.47 2pa4 n ASP 192 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 2pa4 s VAL 193 N -2.51 2.94 0.08 2.12 1.01 -1.02 -0.45 120.40 122.57 2pa4 s VAL 193 Ca 0.30 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.67 2pa4 s VAL 193 Cb 0.20 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 2pa4 s VAL 193 CO 0.46 0.51 -0.20 -0.54 0.00 0.00 0.00 175.10 175.33 2pa4 s LYS 194 N 0.61 1.16 0.04 2.72 -0.14 -0.85 -2.48 119.74 120.80 2pa4 s LYS 194 Ca -0.08 -1.07 -0.15 0.00 -1.36 0.00 0.00 55.97 53.31 2pa4 s LYS 194 Cb -0.16 -1.36 -0.06 0.00 -1.68 0.00 0.00 37.83 34.58 2pa4 s LYS 194 CO 0.03 0.32 0.46 0.21 -0.76 0.00 0.00 175.35 175.61 2pa4 s LYS 195 N -1.67 3.97 -0.05 1.68 2.20 -0.89 -1.10 119.74 123.89 2pa4 s LYS 195 Ca 0.06 0.48 -0.01 0.00 -0.36 0.00 0.00 55.97 56.13 2pa4 s LYS 195 Cb -0.10 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 2pa4 s LYS 195 CO 0.03 0.65 0.01 0.08 -0.36 0.00 0.00 175.35 175.76 2pa4 s VAL 196 N -1.15 4.35 -1.31 4.02 1.01 -0.17 -0.83 120.40 126.31 2pa4 s VAL 196 Ca 0.27 -0.35 0.13 0.00 0.00 0.00 0.00 61.98 62.03 2pa4 s VAL 196 Cb -0.17 -2.88 0.24 0.00 0.00 0.00 0.00 36.38 33.57 2pa4 s VAL 196 CO 0.16 0.52 1.12 2.29 0.00 0.00 0.00 175.10 179.18 2pa4 n LYS 197 N 1.83 1.91 0.00 2.72 2.85 0.13 -4.65 118.16 122.96 2pa4 n LYS 197 Ca -0.17 -1.74 0.00 0.00 -1.05 0.00 0.00 58.31 55.35 2pa4 n LYS 197 Cb 0.53 -1.28 0.00 0.00 -0.65 0.00 0.00 35.03 33.63 2pa4 n LYS 197 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2pa4 n GLY 198 N 0.69 1.57 2.93 2.58 0.00 -1.17 -4.89 105.19 106.89 2pa4 n GLY 198 Ca 0.11 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 2pa4 n GLY 198 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2pa4 s MET 199 N -2.00 0.09 -0.04 1.61 1.75 -1.26 -0.14 119.30 119.31 2pa4 s MET 199 Ca 0.00 0.29 0.03 0.00 -1.25 0.00 0.00 55.69 54.76 2pa4 s MET 199 Cb 0.00 -0.11 0.00 0.00 2.84 0.00 0.00 34.83 37.56 2pa4 s MET 199 CO 0.00 -0.12 -0.14 0.54 -0.65 0.00 0.00 175.02 174.65 2pa4 s VAL 200 N 0.80 1.20 -0.22 10.11 0.11 -0.68 -4.73 120.40 127.00 2pa4 s VAL 200 Ca -0.06 -0.57 -0.23 0.00 -2.93 0.00 0.00 61.98 58.19 2pa4 s VAL 200 Cb -0.08 -1.05 -0.02 0.00 -1.53 0.00 0.00 36.38 33.70 2pa4 s VAL 200 CO -0.04 0.36 0.74 -0.70 -3.33 0.00 0.00 175.10 172.12 2pa4 s GLU 201 N 0.21 4.20 -1.17 1.54 2.56 -1.26 -0.65 118.70 124.13 2pa4 s GLU 201 Ca -0.06 0.79 -0.22 0.00 0.00 0.00 0.00 54.97 55.48 2pa4 s GLU 201 Cb -0.12 -3.61 0.00 0.00 2.00 0.00 0.00 34.13 32.40 2pa4 s GLU 201 CO 0.02 -0.38 0.76 1.63 -0.56 0.00 0.00 175.26 176.73 2pa4 n LYS 202 N 5.52 -1.16 -1.79 4.30 5.02 0.40 -4.88 118.16 125.57 2pa4 n LYS 202 Ca 0.02 0.39 -0.30 0.00 -2.02 0.00 0.00 58.31 56.40 2pa4 n LYS 202 Cb 0.49 -3.86 0.05 0.00 -0.02 0.00 0.00 35.03 31.68 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 -6.27 2.81 0.84 1.97 0.04 -1.26 -4.84 135.00 128.29 2pa4 s PRO 203 Ca 0.46 0.57 -0.11 0.00 0.04 0.00 0.00 61.00 61.95 2pa4 s PRO 203 Cb -0.18 -2.01 0.09 0.00 0.04 0.00 0.00 34.50 32.45 2pa4 s PRO 203 CO 0.88 -1.09 1.09 0.00 0.04 0.00 0.00 177.00 177.92 2pa4 s ALA 204 N -3.27 1.92 0.22 8.56 0.00 -1.26 -3.55 121.76 124.37 2pa4 s ALA 204 Ca 0.58 -0.02 -0.08 0.00 0.00 0.00 0.00 51.96 52.44 2pa4 s ALA 204 Cb -0.12 -3.19 0.26 0.00 0.00 0.00 0.00 23.12 20.08 2pa4 s ALA 204 CO 0.53 -2.03 1.81 0.82 0.00 0.00 0.00 175.76 176.89 2pa4 h ILE 205 N -1.31 0.97 0.00 0.00 2.04 -1.95 -1.57 117.51 115.68 2pa4 h ILE 205 Ca -0.47 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2pa4 h ILE 205 Cb 1.26 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2pa4 h ILE 205 CO 0.55 0.13 0.00 1.05 0.00 0.00 0.00 178.15 179.88 2pa4 h GLU 206 N 0.72 0.00 0.00 2.37 4.11 -1.99 -2.78 114.58 117.01 2pa4 h GLU 206 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.75 2pa4 h GLU 206 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2pa4 h GLU 206 CO -0.19 0.00 -1.12 -0.25 0.07 0.00 0.00 179.01 177.52 2pa4 n ASP 207 N -2.48 0.91 -4.66 3.06 8.00 -0.66 -4.96 116.55 115.76 2pa4 n ASP 207 Ca -0.00 -0.57 -0.42 0.00 0.71 0.00 0.00 54.79 54.51 2pa4 n ASP 207 Cb 0.15 1.27 -0.03 0.00 -0.02 0.00 0.00 41.12 42.50 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 -2.76 3.62 -1.55 2.24 0.00 -0.80 -4.88 121.76 117.64 2pa4 s ALA 208 Ca 0.02 0.95 0.19 0.00 0.00 0.00 0.00 51.96 53.11 2pa4 s ALA 208 Cb 0.12 -3.73 0.99 0.00 0.00 0.00 0.00 23.12 20.50 2pa4 s ALA 208 CO 0.68 -1.35 1.57 -0.35 0.00 0.00 0.00 175.76 176.31 2pa4 n PRO 209 N 6.92 0.34 -3.28 0.00 -0.04 -1.26 -4.90 135.00 132.78 2pa4 n PRO 209 Ca 0.17 0.09 -0.01 0.00 -0.04 0.00 0.00 63.50 63.70 2pa4 n PRO 209 Cb 0.43 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.22 -1.21 -0.50 3.54 3.41 -1.25 -4.72 113.62 111.67 2pa4 n SER 210 Ca 0.10 -1.57 0.05 0.00 -0.26 0.00 0.00 58.87 57.19 2pa4 n SER 210 Cb 0.13 1.94 0.14 0.00 -0.26 0.00 0.00 64.21 66.16 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 -0.57 2.81 -3.40 4.33 1.74 -1.26 -4.91 116.66 115.40 2pa4 n ARG 211 Ca -0.01 -2.09 -0.42 0.00 -0.77 0.00 0.00 57.85 54.56 2pa4 n ARG 211 Cb 0.43 -1.32 -0.09 0.00 -1.02 0.00 0.00 32.46 30.46 2pa4 n ARG 211 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2pa4 s LEU 212 N -1.43 4.82 0.04 0.55 1.43 -1.26 -0.06 118.68 122.77 2pa4 s LEU 212 Ca 0.22 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2pa4 s LEU 212 Cb 0.14 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 2pa4 s LEU 212 CO 0.10 -0.45 0.12 0.00 0.23 0.00 0.00 176.35 176.34 2pa4 s ALA 213 N 1.93 3.70 -0.07 4.21 0.00 -0.68 -1.74 121.76 129.11 2pa4 s ALA 213 Ca 0.09 -0.91 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 2pa4 s ALA 213 Cb -0.18 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.32 2pa4 s ALA 213 CO 0.12 0.75 1.05 0.00 0.00 0.00 0.00 175.76 177.68 2pa4 s ALA 214 N -1.34 3.38 0.41 0.00 0.00 0.27 -1.80 121.76 122.68 2pa4 s ALA 214 Ca 0.28 0.48 -0.08 0.00 0.00 0.00 0.00 51.96 52.64 2pa4 s ALA 214 Cb -0.12 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 2pa4 s ALA 214 CO 0.20 -0.57 0.74 0.99 0.00 0.00 0.00 175.76 177.12 2pa4 s THR 215 N 1.85 4.87 -1.54 0.00 2.01 -0.45 -4.49 115.64 117.88 2pa4 s THR 215 Ca 0.51 0.37 -0.12 0.00 0.31 0.00 0.00 61.69 62.76 2pa4 s THR 215 Cb -0.21 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.50 2pa4 s THR 215 CO 0.21 -0.60 2.61 0.61 -0.69 0.00 0.00 174.62 176.76 2pa4 n GLY 216 N -1.57 4.37 2.66 4.40 0.00 -1.26 -4.60 105.19 109.19 2pa4 n GLY 216 Ca 0.01 -1.57 -0.21 0.00 0.00 0.00 0.00 46.02 44.24 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 2.45 -0.04 0.00 1.61 1.81 -1.26 -1.30 118.95 122.22 2pa4 s ARG 217 Ca 0.59 0.26 0.00 0.00 -1.72 0.00 0.00 55.73 54.87 2pa4 s ARG 217 Cb 0.16 -0.85 -0.00 0.00 -0.45 0.00 0.00 34.95 33.81 2pa4 s ARG 217 CO -0.07 -0.42 -0.01 0.71 -0.68 0.00 0.00 175.30 174.83 2pa4 s TYR 218 N 2.17 0.07 -0.39 -0.53 1.51 -0.24 -2.77 117.35 117.17 2pa4 s TYR 218 Ca 0.04 -0.04 0.03 0.00 -1.01 0.00 0.00 57.07 56.09 2pa4 s TYR 218 Cb -0.13 -0.04 0.11 0.00 -0.11 0.00 0.00 41.96 41.79 2pa4 s TYR 218 CO -0.05 -0.01 0.14 -0.51 -1.11 0.00 0.00 175.55 174.01 2pa4 s LEU 219 N -0.09 3.83 -0.04 -1.29 1.43 0.51 -0.72 118.68 122.31 2pa4 s LEU 219 Ca -0.01 -2.31 -0.02 0.00 -1.03 0.00 0.00 54.13 50.76 2pa4 s LEU 219 Cb -0.01 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 2pa4 s LEU 219 CO -0.00 -0.34 0.09 -0.76 0.23 0.00 0.00 176.35 175.57 2pa4 s LEU 220 N 0.70 3.98 0.41 1.79 1.43 -0.20 -0.59 118.68 126.19 2pa4 s LEU 220 Ca 0.13 0.23 -0.24 0.00 -1.03 0.00 0.00 54.13 53.22 2pa4 s LEU 220 Cb -0.21 -2.18 -0.08 0.00 0.03 0.00 0.00 46.19 43.75 2pa4 s LEU 220 CO -0.08 0.32 1.11 -0.62 0.23 0.00 0.00 176.35 177.30 2pa4 s ASP 221 N -1.45 6.59 0.00 2.29 -1.08 -1.26 -0.05 116.67 121.70 2pa4 s ASP 221 Ca 0.20 2.18 0.00 0.00 -0.52 0.00 0.00 52.55 54.41 2pa4 s ASP 221 Cb -0.12 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 2pa4 s ASP 221 CO 0.10 -0.62 0.74 0.54 0.52 0.00 0.00 175.17 176.45 2pa4 n ARG 222 N -0.07 0.00 0.11 4.34 1.74 -1.26 -1.15 116.66 120.36 2pa4 n ARG 222 Ca 0.05 0.27 0.11 0.00 -0.77 0.00 0.00 57.85 57.51 2pa4 n ARG 222 Cb 0.48 -1.61 0.46 0.00 -1.02 0.00 0.00 32.46 30.77 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 -1.24 0.17 0.09 5.56 5.02 -1.26 -2.69 118.16 123.81 2pa4 n LYS 223 Ca 0.00 0.38 0.02 0.00 -2.02 0.00 0.00 58.31 56.68 2pa4 n LYS 223 Cb 0.11 -1.81 0.36 0.00 -0.02 0.00 0.00 35.03 33.68 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 1.19 -0.54 -0.18 -0.00 -1.50 -1.99 117.51 114.49 2pa4 h ILE 224 Ca 0.00 -0.81 0.04 0.00 -0.00 0.00 0.00 64.86 64.09 2pa4 h ILE 224 Cb 0.37 1.17 -0.05 0.00 -0.00 0.00 0.00 36.82 38.32 2pa4 h ILE 224 CO 0.00 0.26 0.29 -0.26 -0.00 0.00 0.00 178.15 178.44 2pa4 h PHE 225 N 0.28 0.53 0.57 0.16 0.04 -1.76 1.51 116.94 118.28 2pa4 h PHE 225 Ca 0.06 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 2pa4 h PHE 225 Cb 0.38 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.38 2pa4 h PHE 225 CO 0.01 0.26 -0.31 -0.44 -0.60 0.00 0.00 178.31 177.23 2pa4 h ASP 226 N 0.56 -0.76 -0.87 2.17 5.19 -1.69 -2.88 116.42 118.13 2pa4 h ASP 226 Ca 0.24 0.04 0.07 0.00 -0.62 0.00 0.00 57.03 56.75 2pa4 h ASP 226 Cb 0.13 0.21 -0.06 0.00 0.18 0.00 0.00 39.33 39.79 2pa4 h ASP 226 CO -0.15 -0.51 0.53 0.00 -3.12 0.00 0.00 179.24 175.99 2pa4 h ALA 227 N -0.42 1.20 0.00 3.45 0.00 -0.54 -0.79 119.26 122.17 2pa4 h ALA 227 Ca -0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2pa4 h ALA 227 Cb 0.65 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2pa4 h ALA 227 CO 0.10 0.26 -0.00 -0.07 0.00 0.00 0.00 179.25 179.54 2pa4 h LEU 228 N 0.96 0.00 -0.00 0.00 3.38 0.22 -1.75 115.31 118.12 2pa4 h LEU 228 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2pa4 h LEU 228 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2pa4 h LEU 228 CO -0.19 0.00 -0.42 0.54 0.09 0.00 0.00 178.44 178.46 2pa4 n ARG 229 N -3.09 0.00 -0.00 1.13 1.74 -0.30 -4.06 116.66 112.07 2pa4 n ARG 229 Ca -0.02 -0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.13 2pa4 n ARG 229 Cb 0.11 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 2pa4 n ARG 229 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2pa4 n ARG 230 N -1.50 1.27 -1.56 5.56 1.74 -0.67 -4.99 116.66 116.51 2pa4 n ARG 230 Ca 0.06 -0.05 -0.31 0.00 -0.77 0.00 0.00 57.85 56.78 2pa4 n ARG 230 Cb 0.34 -1.31 0.05 0.00 -1.02 0.00 0.00 32.46 30.52 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 -2.73 3.95 0.42 0.55 -4.36 -1.16 -5.08 121.20 112.79 2pa4 s ILE 231 Ca 0.02 0.65 0.07 0.00 -0.26 0.00 0.00 60.65 61.13 2pa4 s ILE 231 Cb 0.12 -3.35 -0.06 0.00 1.25 0.00 0.00 42.46 40.42 2pa4 s ILE 231 CO 0.68 -0.82 0.11 0.42 0.24 0.00 0.00 174.94 175.57 2pa4 s THR 232 N -3.01 2.07 0.59 8.37 -4.23 -1.26 -5.06 115.64 113.11 2pa4 s THR 232 Ca 0.59 -1.83 -0.20 0.00 -1.18 0.00 0.00 61.69 59.07 2pa4 s THR 232 Cb -0.14 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 2pa4 s THR 232 CO 0.54 0.00 1.14 -2.65 -0.54 0.00 0.00 174.62 173.12 2pa4 n PRO 233 N -1.16 1.18 0.00 3.99 -0.02 -1.26 -4.72 135.00 133.01 2pa4 n PRO 233 Ca -0.04 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2pa4 n PRO 233 Cb 0.66 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 1.06 3.91 3.66 -1.23 0.00 0.12 -4.86 105.19 107.85 2pa4 n GLY 234 Ca 0.13 -0.66 -0.47 0.00 0.00 0.00 0.00 46.02 45.03 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 0.95 -0.79 4.61 0.00 -1.26 -0.48 120.51 120.54 2pa4 n ALA 235 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2pa4 n ALA 235 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.16 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 2.96 1.31 2.15 0.00 0.00 -1.26 -2.74 105.19 107.62 2pa4 n GLY 236 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 0.64 3.88 -0.02 0.00 0.37 -5.02 105.19 103.04 2pa4 n GLY 237 Ca 0.00 -0.76 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.95 3.14 -0.75 1.61 2.02 -1.11 -4.66 118.70 116.00 2pa4 s GLU 238 Ca 0.00 -0.86 -0.21 0.00 0.02 0.00 0.00 54.97 53.92 2pa4 s GLU 238 Cb 0.00 -2.74 0.10 0.00 0.10 0.00 0.00 34.13 31.59 2pa4 s GLU 238 CO 0.00 0.45 0.99 -0.51 0.02 0.00 0.00 175.26 176.21 2pa4 s LEU 239 N -3.60 4.73 0.08 1.80 1.43 0.73 0.14 118.68 124.00 2pa4 s LEU 239 Ca 0.33 -1.41 -0.30 0.00 -1.03 0.00 0.00 54.13 51.72 2pa4 s LEU 239 Cb -0.09 -2.40 -0.06 0.00 0.03 0.00 0.00 46.19 43.67 2pa4 s LEU 239 CO 0.26 -1.27 1.15 -1.10 0.23 0.00 0.00 176.35 175.61 2pa4 s GLN 240 N 3.43 4.49 0.20 1.70 -1.52 -1.26 0.30 119.66 126.99 2pa4 s GLN 240 Ca 0.25 1.71 -0.09 0.00 -1.95 0.00 0.00 55.36 55.28 2pa4 s GLN 240 Cb -0.14 -3.34 0.12 0.00 -0.22 0.00 0.00 33.01 29.43 2pa4 s GLN 240 CO 0.03 -0.15 1.74 1.25 -0.25 0.00 0.00 175.29 177.91 2pa4 h LEU 241 N 6.36 1.05 -0.74 2.90 5.85 -1.90 -1.50 115.31 127.33 2pa4 h LEU 241 Ca -0.42 -0.21 0.15 0.00 0.84 0.00 0.00 57.88 58.24 2pa4 h LEU 241 Cb 1.21 -0.27 -0.10 0.00 0.37 0.00 0.00 40.66 41.87 2pa4 h LEU 241 CO 0.78 0.98 0.25 0.74 -0.34 0.00 0.00 178.44 180.85 2pa4 h THR 242 N 1.06 0.61 -0.34 1.05 2.02 -1.97 -0.61 112.91 114.73 2pa4 h THR 242 Ca 0.23 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 2pa4 h THR 242 Cb 0.30 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 2pa4 h THR 242 CO -0.01 0.07 0.18 0.44 0.37 0.00 0.00 175.52 176.57 2pa4 h ASP 243 N 0.37 0.40 -0.07 4.18 3.32 -1.60 0.33 116.42 123.34 2pa4 h ASP 243 Ca 0.41 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.27 2pa4 h ASP 243 Cb 0.65 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 40.11 2pa4 h ASP 243 CO -0.44 0.33 -0.61 0.00 -1.72 0.00 0.00 179.24 176.80 2pa4 h ALA 244 N 1.74 0.17 0.15 3.45 0.00 -1.05 -2.00 119.26 121.71 2pa4 h ALA 244 Ca 0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2pa4 h ALA 244 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2pa4 h ALA 244 CO -0.02 0.43 -0.07 0.82 0.00 0.00 0.00 179.25 180.41 2pa4 h ILE 245 N 0.13 0.88 -0.84 0.00 2.04 -0.77 -0.59 117.51 118.35 2pa4 h ILE 245 Ca -0.06 -0.07 0.21 0.00 1.00 0.00 0.00 64.86 65.94 2pa4 h ILE 245 Cb 1.27 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 2pa4 h ILE 245 CO 0.12 0.02 0.58 -0.78 0.00 0.00 0.00 178.15 178.09 2pa4 h ASP 246 N -0.23 0.24 -0.23 1.72 3.58 -0.34 -0.28 116.42 120.89 2pa4 h ASP 246 Ca -0.02 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2pa4 h ASP 246 Cb 0.18 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2pa4 h ASP 246 CO 0.03 0.10 -0.10 0.25 -2.88 0.00 0.00 179.24 176.64 2pa4 h LEU 247 N 0.24 0.48 -0.40 2.28 5.85 -0.37 -2.63 115.31 120.77 2pa4 h LEU 247 Ca 0.42 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2pa4 h LEU 247 Cb 1.28 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 2pa4 h LEU 247 CO -0.10 0.78 0.18 -0.07 -0.34 0.00 0.00 178.44 178.89 2pa4 h LEU 248 N 0.18 0.53 -0.62 2.25 3.38 -0.04 -2.27 115.31 118.72 2pa4 h LEU 248 Ca 0.05 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 57.99 2pa4 h LEU 248 Cb 0.60 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 2pa4 h LEU 248 CO 0.03 0.53 0.17 0.40 0.09 0.00 0.00 178.44 179.65 2pa4 h ILE 249 N 0.50 0.66 0.00 1.22 2.04 -1.14 0.57 117.51 121.36 2pa4 h ILE 249 Ca 0.14 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2pa4 h ILE 249 Cb 0.14 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2pa4 h ILE 249 CO -0.02 0.06 -0.07 0.44 0.00 0.00 0.00 178.15 178.56 2pa4 h ASP 250 N 0.31 0.00 -0.50 1.72 5.19 -1.11 -1.01 116.42 121.02 2pa4 h ASP 250 Ca 0.33 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.74 2pa4 h ASP 250 Cb 0.48 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.99 2pa4 h ASP 250 CO -0.39 0.07 0.00 -0.62 -3.12 0.00 0.00 179.24 175.18 2pa4 n GLU 251 N -3.26 4.03 -1.11 3.56 1.02 0.03 -4.91 120.64 120.00 2pa4 n GLU 251 Ca -0.00 -2.58 -0.04 0.00 -0.02 0.00 0.00 57.16 54.52 2pa4 n GLU 251 Cb 0.29 -2.06 -0.02 0.00 -0.02 0.00 0.00 31.44 29.63 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 0.65 0.66 3.75 0.62 0.00 -0.38 -5.03 105.19 105.45 2pa4 n GLY 252 Ca 0.23 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.04 3.45 -0.14 1.61 5.04 -0.24 -4.98 115.29 117.98 2pa4 s HIS 253 Ca 0.00 1.52 -0.29 0.00 -1.54 0.00 0.00 55.06 54.75 2pa4 s HIS 253 Cb 0.00 -3.40 -0.01 0.00 0.04 0.00 0.00 32.58 29.22 2pa4 s HIS 253 CO 0.00 -1.01 1.07 -2.14 -2.34 0.00 0.00 174.74 170.32 2pa4 s PRO 254 N -0.78 4.34 -0.14 2.88 0.02 -1.26 -4.38 135.00 135.69 2pa4 s PRO 254 Ca 0.50 1.45 0.02 0.00 0.02 0.00 0.00 61.00 62.98 2pa4 s PRO 254 Cb -0.33 -3.60 0.01 0.00 0.02 0.00 0.00 34.50 30.61 2pa4 s PRO 254 CO 0.39 -0.47 -0.18 0.08 -0.33 0.00 0.00 177.00 176.49 2pa4 s VAL 255 N 2.57 1.78 0.26 3.83 1.01 -1.26 -0.77 120.40 127.82 2pa4 s VAL 255 Ca 0.49 -0.80 0.12 0.00 0.00 0.00 0.00 61.98 61.78 2pa4 s VAL 255 Cb -0.18 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2pa4 s VAL 255 CO 0.14 0.50 -0.18 -1.00 0.00 0.00 0.00 175.10 174.56 2pa4 s HIS 256 N 1.05 2.35 -0.02 5.22 3.76 -0.73 -1.00 115.29 125.93 2pa4 s HIS 256 Ca -0.03 -0.32 0.04 0.00 -0.15 0.00 0.00 55.06 54.60 2pa4 s HIS 256 Cb -0.15 -1.04 -0.01 0.00 1.11 0.00 0.00 32.58 32.49 2pa4 s HIS 256 CO -0.05 0.67 -0.15 0.96 -0.85 0.00 0.00 174.74 175.32 2pa4 s ILE 257 N -2.36 1.22 -0.25 0.60 -4.36 -0.26 -1.80 121.20 114.00 2pa4 s ILE 257 Ca 0.29 -0.65 -0.14 0.00 -0.26 0.00 0.00 60.65 59.89 2pa4 s ILE 257 Cb -0.06 -1.03 -0.04 0.00 1.25 0.00 0.00 42.46 42.58 2pa4 s ILE 257 CO 0.15 0.35 0.34 -0.69 0.24 0.00 0.00 174.94 175.33 2pa4 s VAL 258 N -0.24 5.21 -0.34 8.37 1.01 -0.36 -2.01 120.40 132.03 2pa4 s VAL 258 Ca 0.03 0.53 -0.21 0.00 0.00 0.00 0.00 61.98 62.33 2pa4 s VAL 258 Cb -0.07 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2pa4 s VAL 258 CO -0.00 0.21 0.67 -0.63 0.00 0.00 0.00 175.10 175.35 2pa4 s ILE 259 N 1.73 4.87 -0.02 2.22 1.01 0.40 -0.28 121.20 131.13 2pa4 s ILE 259 Ca 0.15 0.73 -0.30 0.00 0.00 0.00 0.00 60.65 61.22 2pa4 s ILE 259 Cb -0.15 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 2pa4 s ILE 259 CO 0.09 -0.29 1.04 -2.28 0.00 0.00 0.00 174.94 173.50 2pa4 s HIS 260 N 2.76 3.56 -0.13 3.97 5.65 0.18 -4.89 115.29 126.38 2pa4 s HIS 260 Ca 0.26 1.58 0.03 0.00 0.25 0.00 0.00 55.06 57.18 2pa4 s HIS 260 Cb -0.14 -3.20 -0.24 0.00 -1.18 0.00 0.00 32.58 27.82 2pa4 s HIS 260 CO 0.14 -0.35 0.31 1.04 -0.65 0.00 0.00 174.74 175.24 2pa4 n GLN 261 N 4.25 0.70 0.00 2.88 1.13 -1.26 -4.55 117.38 120.53 2pa4 n GLN 261 Ca 0.07 0.22 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 2pa4 n GLN 261 Cb 0.49 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 29.17 2pa4 n GLN 261 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pa4 n GLY 262 N 1.88 -3.28 3.77 1.08 0.00 -1.26 -4.99 105.19 102.39 2pa4 n GLY 262 Ca -0.30 -1.27 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.83 3.67 -0.10 1.61 2.47 -1.17 -4.91 119.74 119.48 2pa4 s LYS 263 Ca 0.00 1.69 -0.05 0.00 -1.56 0.00 0.00 55.97 56.06 2pa4 s LYS 263 Cb 0.00 -2.28 0.04 0.00 -1.46 0.00 0.00 37.83 34.13 2pa4 s LYS 263 CO 0.00 -0.61 0.22 0.50 0.16 0.00 0.00 175.35 175.62 2pa4 s ARG 264 N -2.88 0.18 -0.11 4.03 3.00 -1.26 -0.95 118.95 120.96 2pa4 s ARG 264 Ca 0.66 0.49 0.02 0.00 -1.00 0.00 0.00 55.73 55.91 2pa4 s ARG 264 Cb -0.26 -0.13 0.01 0.00 0.00 0.00 0.00 34.95 34.56 2pa4 s ARG 264 CO 0.31 -0.16 -0.18 -1.01 0.00 0.00 0.00 175.30 174.26 2pa4 s HIS 265 N 1.24 2.18 -0.51 5.12 3.76 0.60 -4.99 115.29 122.70 2pa4 s HIS 265 Ca -0.09 -1.01 -0.19 0.00 -0.15 0.00 0.00 55.06 53.61 2pa4 s HIS 265 Cb -0.11 -1.53 0.06 0.00 1.11 0.00 0.00 32.58 32.11 2pa4 s HIS 265 CO -0.08 -0.48 0.63 0.34 -0.85 0.00 0.00 174.74 174.30 2pa4 s ASP 266 N 0.82 6.23 0.00 1.40 2.15 -1.26 0.18 116.67 126.18 2pa4 s ASP 266 Ca -0.09 -0.90 0.17 0.00 0.43 0.00 0.00 52.55 52.16 2pa4 s ASP 266 Cb -0.16 -2.29 0.73 0.00 -0.30 0.00 0.00 42.92 40.90 2pa4 s ASP 266 CO 0.00 -0.90 1.51 0.18 -0.17 0.00 0.00 175.17 175.80 2pa4 n LEU 267 N 6.19 1.16 0.13 -1.34 4.77 0.21 -3.28 117.00 124.84 2pa4 n LEU 267 Ca -0.06 -0.51 0.12 0.00 -0.03 0.00 0.00 56.01 55.53 2pa4 n LEU 267 Cb 0.45 -0.09 0.48 0.00 -2.33 0.00 0.00 43.42 41.94 2pa4 n LEU 267 CO 0.54 0.25 0.86 0.61 -1.33 0.00 0.00 177.39 178.32 2pa4 n GLY 268 N 0.99 -1.32 3.21 -0.72 0.00 -1.15 -4.56 105.19 101.65 2pa4 n GLY 268 Ca 0.14 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.25 -0.00 0.28 1.61 2.20 -1.26 -4.86 114.94 108.66 2pa4 s ASN 269 Ca 0.05 -0.39 0.03 0.00 -0.94 0.00 0.00 52.86 51.60 2pa4 s ASN 269 Cb 0.10 0.33 0.66 0.00 -2.00 0.00 0.00 41.25 40.34 2pa4 s ASN 269 CO 0.41 -0.64 1.74 -0.65 -2.94 0.00 0.00 177.10 175.02 2pa4 h PRO 270 N 3.14 0.53 -0.74 3.55 0.11 -1.88 0.20 132.00 136.91 2pa4 h PRO 270 Ca -0.33 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.88 2pa4 h PRO 270 Cb 1.20 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 2pa4 h PRO 270 CO 0.50 0.35 0.49 0.78 -0.21 0.00 0.00 178.00 179.91 2pa4 h GLY 271 N 0.55 0.77 0.00 -0.55 0.00 -1.97 -0.16 103.07 101.72 2pa4 h GLY 271 Ca 0.53 -0.21 -0.32 0.00 0.00 0.00 0.00 47.33 47.33 2pa4 h GLY 271 CO -0.44 0.09 -2.26 0.61 0.00 0.00 0.00 176.54 174.54 2pa4 n GLY 272 N -1.50 -0.92 0.16 4.60 0.00 -0.66 -4.37 105.19 102.50 2pa4 n GLY 272 Ca 0.14 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 0.51 0.10 1.61 3.20 -0.33 -2.77 116.97 119.28 2pa4 h TYR 273 Ca -0.48 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 61.33 2pa4 h TYR 273 Cb 2.08 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 40.18 2pa4 h TYR 273 CO 0.00 0.61 -0.26 0.82 -1.64 0.00 0.00 178.16 177.69 2pa4 h ILE 274 N 0.26 0.43 -0.03 1.81 2.04 -1.26 -1.03 117.51 119.74 2pa4 h ILE 274 Ca 0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 2pa4 h ILE 274 Cb 0.40 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2pa4 h ILE 274 CO 0.01 0.00 -0.07 -0.65 0.00 0.00 0.00 178.15 177.44 2pa4 h PRO 275 N -0.46 0.04 -0.40 2.37 0.11 -1.76 0.26 132.00 132.17 2pa4 h PRO 275 Ca 0.03 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.08 2pa4 h PRO 275 Cb 0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 2pa4 h PRO 275 CO -0.16 0.11 0.00 0.00 -0.21 0.00 0.00 178.00 177.75 2pa4 h ALA 276 N 1.89 0.54 0.01 -0.75 0.00 -1.03 0.15 119.26 120.06 2pa4 h ALA 276 Ca 0.01 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.67 2pa4 h ALA 276 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2pa4 h ALA 276 CO 0.01 0.31 -0.05 0.00 0.00 0.00 0.00 179.25 179.52 2pa4 h VAL 278 N -0.09 0.81 -0.21 0.00 2.07 -0.79 0.48 116.25 118.51 2pa4 h VAL 278 Ca 0.02 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.55 2pa4 h VAL 278 Cb 0.11 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 2pa4 h VAL 278 CO -0.05 0.02 -0.02 -0.78 0.02 0.00 0.00 177.57 176.76 2pa4 h ASP 279 N 0.09 -0.13 0.21 0.57 3.58 -0.38 0.43 116.42 120.78 2pa4 h ASP 279 Ca 0.13 0.05 -0.20 0.00 0.42 0.00 0.00 57.03 57.44 2pa4 h ASP 279 Cb 0.17 0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.32 2pa4 h ASP 279 CO -0.22 -0.04 -0.78 -0.26 -2.88 0.00 0.00 179.24 175.07 2pa4 h PHE 280 N 0.04 0.64 -0.66 0.28 -1.00 -0.96 -3.23 116.94 112.04 2pa4 h PHE 280 Ca 0.10 -0.29 0.02 0.00 2.81 0.00 0.00 57.97 60.61 2pa4 h PHE 280 Cb 0.14 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.57 2pa4 h PHE 280 CO -0.20 1.07 0.42 0.78 -1.61 0.00 0.00 178.31 178.77 2pa4 h GLY 281 N 1.16 0.93 2.00 -1.45 0.00 0.26 -1.88 103.07 104.10 2pa4 h GLY 281 Ca -0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 2pa4 h GLY 281 CO 0.14 0.30 -0.05 1.41 0.00 0.00 0.00 176.54 178.34 2pa4 h LEU 282 N 0.85 0.00 -0.33 3.11 3.38 -0.94 -1.03 115.31 120.35 2pa4 h LEU 282 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2pa4 h LEU 282 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2pa4 h LEU 282 CO -0.08 0.05 -0.21 -1.20 0.09 0.00 0.00 178.44 177.10 2pa4 n SER 283 N -4.21 0.73 -4.70 -0.43 7.64 -0.74 -4.44 113.62 107.46 2pa4 n SER 283 Ca -0.03 -0.66 -0.42 0.00 1.01 0.00 0.00 58.87 58.77 2pa4 n SER 283 Cb 0.13 0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 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 -2.55 3.24 0.33 1.43 5.04 -0.40 -4.92 115.29 117.46 2pa4 s HIS 284 Ca 0.25 1.12 0.03 0.00 -1.54 0.00 0.00 55.06 54.92 2pa4 s HIS 284 Cb 0.19 -3.52 0.63 0.00 0.04 0.00 0.00 32.58 29.92 2pa4 s HIS 284 CO 0.52 -1.75 1.92 -1.35 -2.34 0.00 0.00 174.74 171.74 2pa4 h PRO 285 N 7.11 0.88 0.02 2.88 0.11 -1.90 0.11 132.00 141.20 2pa4 h PRO 285 Ca -0.40 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 2pa4 h PRO 285 Cb 1.20 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2pa4 h PRO 285 CO 0.85 0.58 -0.57 0.28 -0.21 0.00 0.00 178.00 178.93 2pa4 h VAL 286 N 0.91 1.43 0.00 3.15 2.07 -1.94 -3.41 116.25 118.46 2pa4 h VAL 286 Ca 0.37 -2.31 -0.01 0.00 0.82 0.00 0.00 66.70 65.58 2pa4 h VAL 286 Cb 0.27 2.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.99 2pa4 h VAL 286 CO -0.14 0.52 -0.98 1.88 0.02 0.00 0.00 177.57 178.88 2pa4 h TYR 287 N -0.91 0.00 0.00 1.57 -1.99 -1.83 -3.44 116.97 110.37 2pa4 h TYR 287 Ca -0.15 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.58 2pa4 h TYR 287 Cb 1.20 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.93 2pa4 h TYR 287 CO 0.20 0.03 0.00 0.41 -0.00 0.00 0.00 178.16 178.80 2pa4 n GLY 288 N 1.19 -2.84 0.16 3.88 0.00 0.36 -1.01 105.19 106.93 2pa4 n GLY 288 Ca -0.00 0.55 -0.05 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.05 0.30 -0.20 4.61 0.00 -1.83 -1.54 119.26 119.56 2pa4 h ALA 289 Ca 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2pa4 h ALA 289 Cb 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2pa4 h ALA 289 CO 0.00 -0.42 -0.22 1.96 0.00 0.00 0.00 179.25 180.56 2pa4 h GLN 290 N 0.06 0.35 -0.31 0.00 1.08 -1.82 -2.67 115.11 111.81 2pa4 h GLN 290 Ca 0.18 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 2pa4 h GLN 290 Cb 0.26 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2pa4 h GLN 290 CO -0.34 0.56 0.08 -0.07 -0.95 0.00 0.00 178.83 178.12 2pa4 h LEU 291 N 0.32 0.46 -0.23 1.46 4.07 -0.42 -0.94 115.31 120.04 2pa4 h LEU 291 Ca 0.05 -0.22 0.06 0.00 0.08 0.00 0.00 57.88 57.85 2pa4 h LEU 291 Cb 0.58 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 42.13 2pa4 h LEU 291 CO 0.04 0.56 -0.19 0.50 -1.08 0.00 0.00 178.44 178.27 2pa4 h LYS 292 N 0.33 -0.19 -0.37 1.13 3.64 -0.98 0.11 116.57 120.24 2pa4 h LYS 292 Ca 0.10 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2pa4 h LYS 292 Cb 0.27 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2pa4 h LYS 292 CO -0.00 -0.13 0.12 -0.44 -2.27 0.00 0.00 179.45 176.73 2pa4 h ASP 293 N -0.19 0.54 -0.53 4.20 3.32 -1.40 -1.27 116.42 121.08 2pa4 h ASP 293 Ca 0.13 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2pa4 h ASP 293 Cb 0.39 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 2pa4 h ASP 293 CO -0.34 0.60 0.32 0.00 -1.72 0.00 0.00 179.24 178.10 2pa4 h ALA 294 N 0.96 0.68 -0.11 3.45 0.00 -0.73 -1.45 119.26 122.05 2pa4 h ALA 294 Ca 0.12 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 2pa4 h ALA 294 Cb 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2pa4 h ALA 294 CO -0.00 0.16 -0.61 0.82 0.00 0.00 0.00 179.25 179.62 2pa4 h ILE 295 N 0.71 1.36 0.02 0.00 2.04 -0.69 -1.40 117.51 119.55 2pa4 h ILE 295 Ca 0.19 -1.93 -0.00 0.00 1.00 0.00 0.00 64.86 64.12 2pa4 h ILE 295 Cb -0.02 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2pa4 h ILE 295 CO -0.04 0.58 -0.01 0.11 0.00 0.00 0.00 178.15 178.80 2pa4 h LYS 296 N 0.29 -0.02 -0.45 2.37 1.57 -1.01 -0.53 116.57 118.79 2pa4 h LYS 296 Ca -0.01 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2pa4 h LYS 296 Cb 1.14 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.40 2pa4 h LYS 296 CO 0.10 0.05 0.15 0.37 -0.57 0.00 0.00 179.45 179.55 2pa4 h GLN 297 N -0.09 0.30 -0.52 3.15 4.15 -1.17 -0.84 115.11 120.09 2pa4 h GLN 297 Ca -0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 2pa4 h GLN 297 Cb 0.09 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2pa4 h GLN 297 CO 0.00 0.20 0.25 0.82 -1.93 0.00 0.00 178.83 178.17 2pa4 h ILE 298 N 0.31 1.20 -0.38 2.39 2.04 -1.00 0.82 117.51 122.88 2pa4 h ILE 298 Ca 0.21 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.55 2pa4 h ILE 298 Cb 0.23 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2pa4 h ILE 298 CO -0.23 0.22 0.20 -0.07 0.00 0.00 0.00 178.15 178.26 2pa4 h LEU 299 N 0.69 0.29 -0.68 1.44 3.38 -0.43 -0.49 115.31 119.52 2pa4 h LEU 299 Ca 0.18 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2pa4 h LEU 299 Cb 0.12 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2pa4 h LEU 299 CO -0.02 0.21 0.22 0.00 0.09 0.00 0.00 178.44 178.94 2pa4 h ALA 300 N 1.20 0.89 -0.60 1.53 0.00 -0.97 -1.47 119.26 119.83 2pa4 h ALA 300 Ca 0.16 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2pa4 h ALA 300 Cb 0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2pa4 h ALA 300 CO -0.11 0.56 0.21 0.93 0.00 0.00 0.00 179.25 180.84 2pa4 h GLU 301 N 0.99 0.92 -0.85 0.00 5.08 -0.50 -2.13 114.58 118.08 2pa4 h GLU 301 Ca 0.22 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2pa4 h GLU 301 Cb 0.29 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2pa4 h GLU 301 CO -0.01 0.81 0.54 0.45 -1.00 0.00 0.00 179.01 179.80 2pa4 h HIS 302 N 0.84 1.10 0.46 4.33 3.86 -0.53 -0.82 115.15 124.40 2pa4 h HIS 302 Ca 0.20 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 2pa4 h HIS 302 Cb 0.26 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 2pa4 h HIS 302 CO 0.02 0.72 -0.44 0.93 0.86 0.00 0.00 177.93 180.02 2pa4 h GLU 303 N 1.17 -0.87 -0.37 2.45 5.08 -0.96 -0.60 114.58 120.48 2pa4 h GLU 303 Ca 0.31 0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.79 2pa4 h GLU 303 Cb -0.09 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 2pa4 h GLU 303 CO -0.06 -0.58 -0.00 0.00 -1.00 0.00 0.00 179.01 177.37 2pa4 h ALA 304 N -0.62 0.33 -0.72 3.43 0.00 -1.13 -2.13 119.26 118.42 2pa4 h ALA 304 Ca -0.05 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.04 2pa4 h ALA 304 Cb 0.79 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 2pa4 h ALA 304 CO -0.05 -0.40 0.39 0.00 0.00 0.00 0.00 179.25 179.19 2pa4 h ALA 305 N 1.32 0.98 0.00 0.00 0.00 -0.90 0.12 119.26 120.78 2pa4 h ALA 305 Ca 0.18 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2pa4 h ALA 305 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2pa4 h ALA 305 CO -0.30 0.03 0.00 0.93 0.00 0.00 0.00 179.25 179.91 2pa4 h GLU 306 N 0.68 0.00 0.00 0.00 5.08 -0.46 -3.02 114.58 116.86 2pa4 h GLU 306 Ca 0.34 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.65 2pa4 h GLU 306 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2pa4 h GLU 306 CO -0.22 0.00 -0.62 0.00 -1.00 0.00 0.00 179.01 177.16 2pa4 h ARG 307 N 0.00 0.00 0.00 2.33 3.08 -0.78 -3.51 114.38 115.49 2pa4 h ARG 307 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pa4 h ARG 307 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2pa4 h ARG 307 CO 0.00 0.22 0.00 -0.89 -1.07 0.00 0.00 179.97 178.23