#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pa4 n VAL 12 N 0.00 0.43 -0.05 0.00 0.31 -1.26 -4.90 118.33 112.86 2pa4 n VAL 12 Ca 0.00 -0.11 -0.08 0.00 -0.01 0.00 0.00 64.34 64.14 2pa4 n VAL 12 Cb 0.00 -0.60 -0.04 0.00 -0.91 0.00 0.00 33.84 32.29 2pa4 n VAL 12 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2pa4 n LYS 13 N 1.94 0.23 -5.15 5.55 4.81 -1.26 -3.42 118.16 120.86 2pa4 n LYS 13 Ca 0.18 0.07 -0.32 0.00 -0.87 0.00 0.00 58.31 57.37 2pa4 n LYS 13 Cb 0.19 -1.07 -0.15 0.00 0.02 0.00 0.00 35.03 34.01 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 -2.19 2.38 -0.12 3.15 2.01 -1.26 -0.33 115.64 119.28 2pa4 s THR 14 Ca -0.14 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 60.93 2pa4 s THR 14 Cb 0.04 -1.89 0.00 0.00 0.01 0.00 0.00 72.50 70.67 2pa4 s THR 14 CO 0.21 0.57 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.80 2pa4 s VAL 15 N -0.37 2.16 -0.24 3.82 1.01 -0.64 -4.20 120.40 121.95 2pa4 s VAL 15 Ca 0.03 -0.96 -0.25 0.00 0.00 0.00 0.00 61.98 60.79 2pa4 s VAL 15 Cb -0.12 -1.85 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 2pa4 s VAL 15 CO 0.02 0.55 0.86 -0.69 0.00 0.00 0.00 175.10 175.84 2pa4 s VAL 16 N 0.57 4.81 -0.43 2.92 1.01 0.20 -0.99 120.40 128.49 2pa4 s VAL 16 Ca -0.13 1.64 0.02 0.00 0.00 0.00 0.00 61.98 63.51 2pa4 s VAL 16 Cb -0.17 -4.15 0.12 0.00 0.00 0.00 0.00 36.38 32.19 2pa4 s VAL 16 CO 0.04 -0.09 0.18 -0.69 0.00 0.00 0.00 175.10 174.54 2pa4 s VAL 17 N 2.89 2.71 0.06 2.92 1.01 0.54 -1.43 120.40 129.11 2pa4 s VAL 17 Ca 0.36 -2.63 -0.31 0.00 0.00 0.00 0.00 61.98 59.41 2pa4 s VAL 17 Cb -0.15 -2.91 -0.07 0.00 0.00 0.00 0.00 36.38 33.25 2pa4 s VAL 17 CO 0.07 -0.70 1.38 -2.84 0.00 0.00 0.00 175.10 173.01 2pa4 s PRO 18 N 0.51 4.31 0.00 2.72 0.02 -1.26 -0.89 135.00 140.41 2pa4 s PRO 18 Ca 0.13 2.01 0.13 0.00 0.02 0.00 0.00 61.00 63.29 2pa4 s PRO 18 Cb -0.22 -3.39 0.22 0.00 0.02 0.00 0.00 34.50 31.13 2pa4 s PRO 18 CO -0.05 -0.48 1.08 0.00 -0.33 0.00 0.00 177.00 177.22 2pa4 n ALA 19 N 4.54 2.94 -0.36 -1.55 0.00 0.80 -4.34 120.51 122.54 2pa4 n ALA 19 Ca 0.12 -1.54 0.11 0.00 0.00 0.00 0.00 53.44 52.12 2pa4 n ALA 19 Cb 0.43 -0.54 0.30 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.46 0.00 0.00 -0.87 -4.52 120.51 116.31 2pa4 n ALA 20 Ca -0.09 -1.30 -0.30 0.00 0.00 0.00 0.00 53.44 51.75 2pa4 n ALA 20 Cb 0.93 -0.85 0.20 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.00 1.65 0.17 0.00 0.00 -1.26 -4.57 107.32 102.31 2pa4 s GLY 21 Ca 0.45 -0.97 0.23 0.00 0.00 0.00 0.00 44.72 44.43 2pa4 s GLY 21 CO 0.30 -0.18 1.18 1.41 0.00 0.00 0.00 173.10 175.81 2pa4 h LEU 22 N -2.07 0.00 -0.99 0.66 3.38 -1.96 -3.49 115.31 110.85 2pa4 h LEU 22 Ca -0.46 -0.11 -0.45 0.00 0.09 0.00 0.00 57.88 56.95 2pa4 h LEU 22 Cb 1.28 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.04 2pa4 h LEU 22 CO 0.40 0.06 -0.74 0.61 0.09 0.00 0.00 178.44 178.85 2pa4 n GLY 23 N 1.25 -0.50 0.38 0.83 0.00 -1.26 -4.88 105.19 101.01 2pa4 n GLY 23 Ca 0.02 0.21 0.19 0.00 0.00 0.00 0.00 46.02 46.44 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 -2.24 0.29 0.00 2.61 1.35 -1.95 -1.84 112.91 111.13 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 1.37 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 2pa4 h THR 24 CO 0.64 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.45 2pa4 n ARG 25 N -3.52 0.16 -0.17 4.72 1.74 -1.26 -2.40 116.66 115.93 2pa4 n ARG 25 Ca 0.05 0.33 0.07 0.00 -0.77 0.00 0.00 57.85 57.53 2pa4 n ARG 25 Cb 0.59 -1.77 0.16 0.00 -1.02 0.00 0.00 32.46 30.41 2pa4 n ARG 25 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2pa4 n PHE 26 N -2.07 0.45 -2.28 -1.55 3.01 -0.69 -4.61 117.46 109.71 2pa4 n PHE 26 Ca 0.03 -0.41 -0.36 0.00 1.01 0.00 0.00 57.45 57.72 2pa4 n PHE 26 Cb 0.26 -0.02 -0.01 0.00 -0.01 0.00 0.00 39.48 39.70 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 -1.02 3.95 0.00 4.37 1.43 -1.01 -1.01 118.68 125.39 2pa4 s LEU 27 Ca 0.25 2.25 0.30 0.00 -1.03 0.00 0.00 54.13 55.91 2pa4 s LEU 27 Cb 0.14 -4.33 1.49 0.00 0.03 0.00 0.00 46.19 43.52 2pa4 s LEU 27 CO 0.18 -0.96 2.04 -0.81 0.23 0.00 0.00 176.35 177.03 2pa4 n PRO 28 N -0.67 0.43 -0.33 1.29 -0.04 -1.26 -4.89 135.00 129.52 2pa4 n PRO 28 Ca 0.08 -0.02 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 2pa4 n PRO 28 Cb 0.49 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.67 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 3.42 1.48 0.00 0.55 0.00 -1.47 -1.35 119.26 121.88 2pa4 h ALA 29 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pa4 h ALA 29 Cb 0.30 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2pa4 h ALA 29 CO 0.00 0.37 0.00 0.25 0.00 0.00 0.00 179.25 179.87 2pa4 n THR 30 N -4.50 0.00 -0.28 0.00 -2.24 -1.11 -2.53 114.28 103.62 2pa4 n THR 30 Ca 0.15 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.87 2pa4 n THR 30 Cb 0.21 -0.10 0.06 0.00 -2.10 0.00 0.00 70.33 68.40 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 0.01 1.13 0.00 -0.78 3.64 -1.55 -3.34 116.57 115.67 2pa4 h LYS 31 Ca 0.00 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2pa4 h LYS 31 Cb 0.02 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2pa4 h LYS 31 CO 0.00 0.91 -0.82 0.25 -2.27 0.00 0.00 179.45 177.52 2pa4 n THR 32 N -4.33 0.00 -3.48 1.00 -2.24 -1.20 -5.03 114.28 99.00 2pa4 n THR 32 Ca 0.06 -0.02 -0.37 0.00 -2.27 0.00 0.00 64.05 61.45 2pa4 n THR 32 Cb 0.17 0.46 -0.07 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.68 5.26 0.10 2.28 1.01 -1.05 -4.97 120.40 121.35 2pa4 s VAL 33 Ca 0.00 0.61 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 2pa4 s VAL 33 Cb 0.00 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 2pa4 s VAL 33 CO 0.00 0.33 1.19 -2.84 0.00 0.00 0.00 175.10 173.78 2pa4 s PRO 34 N 0.82 4.46 0.57 2.72 0.02 -1.26 -4.11 135.00 138.21 2pa4 s PRO 34 Ca 0.17 1.79 0.25 0.00 0.02 0.00 0.00 61.00 63.24 2pa4 s PRO 34 Cb -0.14 -3.31 1.61 0.00 0.02 0.00 0.00 34.50 32.68 2pa4 s PRO 34 CO 0.06 -0.18 2.19 1.57 -0.33 0.00 0.00 177.00 180.30 2pa4 h LYS 35 N 6.25 0.00 0.00 5.54 2.10 -1.93 0.58 116.57 129.12 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 0.79 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.63 2pa4 n GLU 36 N -4.08 0.03 0.00 0.07 4.71 -1.26 -2.65 120.64 117.46 2pa4 n GLU 36 Ca -0.02 0.30 0.07 0.00 -0.01 0.00 0.00 57.16 57.51 2pa4 n GLU 36 Cb 0.15 -1.57 0.04 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 -1.63 2.03 -4.77 -4.62 4.77 0.20 -2.58 117.00 110.39 2pa4 n LEU 37 Ca 0.03 -0.92 -0.41 0.00 -0.03 0.00 0.00 56.01 54.68 2pa4 n LEU 37 Cb 0.16 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 2pa4 n LEU 37 CO 0.13 0.37 1.05 -0.76 -1.33 0.00 0.00 177.39 176.86 2pa4 s LEU 38 N -1.49 4.34 0.16 2.23 1.43 -1.08 -4.45 118.68 119.82 2pa4 s LEU 38 Ca 0.16 2.86 -0.30 0.00 -1.03 0.00 0.00 54.13 55.82 2pa4 s LEU 38 Cb 0.12 -3.70 -0.07 0.00 0.03 0.00 0.00 46.19 42.57 2pa4 s LEU 38 CO 0.25 -0.76 1.04 -2.16 0.23 0.00 0.00 176.35 174.95 2pa4 s PRO 39 N -2.02 4.66 -0.98 1.29 0.04 -1.26 -3.70 135.00 133.03 2pa4 s PRO 39 Ca 0.52 1.60 -0.13 0.00 0.04 0.00 0.00 61.00 63.04 2pa4 s PRO 39 Cb -0.43 -3.31 0.23 0.00 0.04 0.00 0.00 34.50 31.03 2pa4 s PRO 39 CO 0.57 0.17 0.99 0.08 0.04 0.00 0.00 177.00 178.85 2pa4 s VAL 40 N -0.25 5.64 0.00 -0.36 1.01 0.33 -4.57 120.40 122.20 2pa4 s VAL 40 Ca 0.48 -2.78 0.00 0.00 0.00 0.00 0.00 61.98 59.68 2pa4 s VAL 40 Cb -0.27 -4.59 0.00 0.00 0.00 0.00 0.00 36.38 31.52 2pa4 s VAL 40 CO 0.33 -1.18 0.00 0.52 0.00 0.00 0.00 175.10 174.77 2pa4 n VAL 41 N 3.67 0.00 -0.06 2.92 0.31 -1.26 -2.98 118.33 120.93 2pa4 n VAL 41 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 2pa4 n VAL 41 Cb 0.44 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 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 4.72 0.01 -4.37 4.52 5.68 -1.26 -5.08 116.55 120.77 2pa4 n ASP 42 Ca 0.00 -0.16 -0.34 0.00 -0.50 0.00 0.00 54.79 53.80 2pa4 n ASP 42 Cb 0.00 0.17 -0.14 0.00 -1.14 0.00 0.00 41.12 40.01 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 -0.17 3.29 0.58 2.12 2.01 -1.16 -4.80 115.64 117.51 2pa4 s THR 43 Ca 0.00 -0.56 -0.20 0.00 0.31 0.00 0.00 61.69 61.24 2pa4 s THR 43 Cb 0.00 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 2pa4 s THR 43 CO 0.00 0.49 1.32 -2.84 -0.69 0.00 0.00 174.62 172.90 2pa4 s PRO 44 N 0.68 2.98 0.35 4.92 0.02 -1.25 -0.51 135.00 142.18 2pa4 s PRO 44 Ca -0.05 2.12 0.04 0.00 0.02 0.00 0.00 61.00 63.14 2pa4 s PRO 44 Cb -0.15 -2.11 0.69 0.00 0.02 0.00 0.00 34.50 32.95 2pa4 s PRO 44 CO 0.02 -1.28 1.96 0.78 -0.33 0.00 0.00 177.00 178.15 2pa4 h GLY 45 N 1.16 1.00 1.95 0.52 0.00 -1.63 -1.22 103.07 104.85 2pa4 h GLY 45 Ca -0.51 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.46 2pa4 h GLY 45 CO 0.56 0.26 -0.11 1.19 0.00 0.00 0.00 176.54 178.43 2pa4 h ILE 46 N 0.82 1.11 -0.00 2.60 2.10 -1.55 0.34 117.51 122.92 2pa4 h ILE 46 Ca 0.31 -0.49 -0.25 0.00 1.08 0.00 0.00 64.86 65.51 2pa4 h ILE 46 Cb 0.18 1.21 0.01 0.00 -1.09 0.00 0.00 36.82 37.13 2pa4 h ILE 46 CO -0.10 0.15 -1.01 -0.08 -1.08 0.00 0.00 178.15 176.03 2pa4 h GLU 47 N 0.06 0.60 -0.66 2.19 4.81 -1.55 -0.21 114.58 119.82 2pa4 h GLU 47 Ca 0.01 -0.65 -0.08 0.00 -0.13 0.00 0.00 59.36 58.51 2pa4 h GLU 47 Cb 0.24 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 2pa4 h GLU 47 CO 0.02 1.25 0.09 -0.07 -0.73 0.00 0.00 179.01 179.57 2pa4 h LEU 48 N 0.34 1.05 -0.72 1.64 3.38 -0.12 -2.29 115.31 118.59 2pa4 h LEU 48 Ca -0.11 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 2pa4 h LEU 48 Cb 1.65 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 2pa4 h LEU 48 CO 0.19 1.05 -0.13 0.40 0.09 0.00 0.00 178.44 180.04 2pa4 h ILE 49 N 1.02 1.26 -0.86 1.22 5.03 -0.30 -2.72 117.51 122.16 2pa4 h ILE 49 Ca 0.20 -1.23 0.05 0.00 -0.12 0.00 0.00 64.86 63.75 2pa4 h ILE 49 Cb 0.45 1.05 -0.05 0.00 -3.03 0.00 0.00 36.82 35.25 2pa4 h ILE 49 CO 0.01 0.42 0.57 0.00 -0.68 0.00 0.00 178.15 178.47 2pa4 h ALA 50 N 1.09 1.50 0.02 1.87 0.00 -0.48 0.93 119.26 124.18 2pa4 h ALA 50 Ca 0.12 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 2pa4 h ALA 50 Cb 0.64 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2pa4 h ALA 50 CO 0.04 0.40 -0.95 0.00 0.00 0.00 0.00 179.25 178.74 2pa4 h ALA 51 N 1.51 0.44 -0.48 0.00 0.00 -1.40 -1.35 119.26 117.98 2pa4 h ALA 51 Ca 0.35 -0.82 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 2pa4 h ALA 51 Cb 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2pa4 h ALA 51 CO -0.12 1.09 -0.06 1.49 0.00 0.00 0.00 179.25 181.65 2pa4 h GLU 52 N 0.03 0.84 0.08 0.00 4.81 -1.06 -0.03 114.58 119.26 2pa4 h GLU 52 Ca -0.03 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2pa4 h GLU 52 Cb 1.65 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.95 2pa4 h GLU 52 CO 0.13 0.88 -0.04 0.00 -0.73 0.00 0.00 179.01 179.25 2pa4 h ALA 53 N 1.16 -0.11 -0.88 2.92 0.00 -0.74 -2.90 119.26 118.70 2pa4 h ALA 53 Ca 0.14 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.00 2pa4 h ALA 53 Cb 0.55 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2pa4 h ALA 53 CO 0.03 -0.45 0.57 0.00 0.00 0.00 0.00 179.25 179.41 2pa4 h ALA 54 N 0.55 1.60 -0.36 0.00 0.00 -0.93 -1.79 119.26 118.33 2pa4 h ALA 54 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2pa4 h ALA 54 Cb 0.29 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2pa4 h ALA 54 CO 0.02 0.23 0.17 1.49 0.00 0.00 0.00 179.25 181.17 2pa4 h GLU 55 N 0.92 0.50 0.00 0.00 4.81 -0.89 -2.19 114.58 117.73 2pa4 h GLU 55 Ca 0.40 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 2pa4 h GLU 55 Cb 0.33 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2pa4 h GLU 55 CO -0.16 0.39 -0.08 1.25 -0.73 0.00 0.00 179.01 179.68 2pa4 h LEU 56 N 0.50 0.00 0.00 1.64 6.46 -1.13 -3.48 115.31 119.30 2pa4 h LEU 56 Ca 0.13 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 2pa4 h LEU 56 Cb 0.05 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 2pa4 h LEU 56 CO -0.02 0.00 0.00 0.61 -0.62 0.00 0.00 178.44 178.42 2pa4 n GLY 57 N 1.18 0.75 3.55 3.75 0.00 -0.82 -4.82 105.19 108.78 2pa4 n GLY 57 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2pa4 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa4 n ALA 58 N 0.00 -0.55 0.10 4.61 0.00 -1.20 -4.84 120.51 118.63 2pa4 n ALA 58 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 53.44 53.74 2pa4 n ALA 58 Cb 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.49 2pa4 n ALA 58 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2pa4 n THR 59 N -0.28 0.00 -4.06 0.00 -2.24 0.55 -4.44 114.28 103.81 2pa4 n THR 59 Ca 0.10 -0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 2pa4 n THR 59 Cb 0.36 1.03 -0.13 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.60 0.39 -0.24 -0.78 0.52 -0.70 -2.97 118.95 114.57 2pa4 s ARG 60 Ca 0.02 -0.42 0.01 0.00 -0.52 0.00 0.00 55.73 54.82 2pa4 s ARG 60 Cb 0.02 -0.24 0.06 0.00 0.52 0.00 0.00 34.95 35.31 2pa4 s ARG 60 CO 0.05 0.05 -0.05 -1.17 0.02 0.00 0.00 175.30 174.20 2pa4 s LEU 61 N -0.80 2.77 -0.81 2.53 2.96 0.58 -1.62 118.68 124.30 2pa4 s LEU 61 Ca -0.05 -1.26 -0.20 0.00 -0.22 0.00 0.00 54.13 52.40 2pa4 s LEU 61 Cb -0.06 -1.24 0.11 0.00 0.50 0.00 0.00 46.19 45.50 2pa4 s LEU 61 CO -0.00 -0.24 1.03 0.00 -1.32 0.00 0.00 176.35 175.82 2pa4 s ALA 62 N 1.34 3.30 -0.34 5.97 0.00 -0.16 0.15 121.76 132.01 2pa4 s ALA 62 Ca -0.05 -2.43 -0.24 0.00 0.00 0.00 0.00 51.96 49.24 2pa4 s ALA 62 Cb -0.19 -3.93 0.01 0.00 0.00 0.00 0.00 23.12 19.00 2pa4 s ALA 62 CO -0.07 -2.85 0.81 0.42 0.00 0.00 0.00 175.76 174.08 2pa4 s ILE 63 N 3.08 4.73 -0.21 0.00 1.01 -0.13 -0.34 121.20 129.34 2pa4 s ILE 63 Ca 0.27 1.07 -0.29 0.00 0.00 0.00 0.00 60.65 61.70 2pa4 s ILE 63 Cb -0.11 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 38.17 2pa4 s ILE 63 CO -0.02 -0.37 1.03 -0.63 0.00 0.00 0.00 174.94 174.95 2pa4 s ILE 64 N 3.11 4.70 0.41 2.92 -1.09 -0.07 -1.37 121.20 129.80 2pa4 s ILE 64 Ca 0.33 2.03 0.04 0.00 -2.23 0.00 0.00 60.65 60.82 2pa4 s ILE 64 Cb -0.13 -4.31 -0.05 0.00 -1.58 0.00 0.00 42.46 36.39 2pa4 s ILE 64 CO 0.15 -0.15 0.05 0.42 -1.23 0.00 0.00 174.94 174.18 2pa4 s THR 65 N 3.02 1.29 0.21 2.92 -4.23 -0.34 -0.14 115.64 118.37 2pa4 s THR 65 Ca 0.45 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.06 2pa4 s THR 65 Cb -0.15 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.02 2pa4 s THR 65 CO 0.08 0.00 -0.14 0.00 -0.54 0.00 0.00 174.62 174.01 2pa4 s ALA 66 N -3.02 2.82 0.36 3.99 0.00 -1.26 -0.87 121.76 123.77 2pa4 s ALA 66 Ca 0.27 -1.62 0.12 0.00 0.00 0.00 0.00 51.96 50.73 2pa4 s ALA 66 Cb 0.06 -0.54 0.93 0.00 0.00 0.00 0.00 23.12 23.57 2pa4 s ALA 66 CO 0.13 0.40 1.81 -1.35 0.00 0.00 0.00 175.76 176.74 2pa4 h PRO 67 N 2.74 0.55 -0.71 0.00 0.11 -1.85 -2.40 132.00 130.45 2pa4 h PRO 67 Ca -0.45 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2pa4 h PRO 67 Cb 1.22 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2pa4 h PRO 67 CO 0.54 0.37 0.05 0.09 -0.21 0.00 0.00 178.00 178.83 2pa4 n ASN 68 N -4.64 4.56 -2.45 -2.05 3.02 -1.26 -4.23 115.26 108.20 2pa4 n ASN 68 Ca 0.22 -2.76 -0.17 0.00 -0.03 0.00 0.00 54.58 51.84 2pa4 n ASN 68 Cb 0.67 -0.66 0.02 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.37 2.67 -0.25 3.52 5.02 -0.90 -4.86 118.16 123.73 2pa4 n LYS 69 Ca 0.24 -3.94 0.21 0.00 -2.02 0.00 0.00 58.31 52.80 2pa4 n LYS 69 Cb 1.02 -1.92 0.55 0.00 -0.02 0.00 0.00 35.03 34.66 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 2.55 2.32 -0.79 7.82 0.00 -1.75 -0.95 119.26 128.45 2pa4 h ALA 70 Ca 0.15 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.17 2pa4 h ALA 70 Cb 1.23 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 2pa4 h ALA 70 CO 0.61 -0.62 0.52 0.78 0.00 0.00 0.00 179.25 180.54 2pa4 h GLY 71 N 0.34 1.05 0.04 0.00 0.00 -1.94 -1.81 103.07 100.74 2pa4 h GLY 71 Ca 0.49 -0.31 0.04 0.00 0.00 0.00 0.00 47.33 47.55 2pa4 h GLY 71 CO -0.17 0.18 -0.43 -2.08 0.00 0.00 0.00 176.54 174.05 2pa4 h VAL 72 N 0.74 0.14 -0.31 4.60 2.07 -1.58 -0.43 116.25 121.49 2pa4 h VAL 72 Ca 0.36 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.70 2pa4 h VAL 72 Cb 0.43 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2pa4 h VAL 72 CO -0.14 0.00 -0.51 0.25 0.02 0.00 0.00 177.57 177.19 2pa4 h LEU 73 N -0.52 0.97 -1.65 2.57 5.85 -1.69 -3.05 115.31 117.80 2pa4 h LEU 73 Ca 0.07 -0.50 0.18 0.00 0.84 0.00 0.00 57.88 58.47 2pa4 h LEU 73 Cb 0.64 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2pa4 h LEU 73 CO -0.38 1.30 0.54 0.00 -0.34 0.00 0.00 178.44 179.56 2pa4 h ALA 74 N 0.72 2.27 -0.21 1.25 0.00 -0.86 0.19 119.26 122.62 2pa4 h ALA 74 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2pa4 h ALA 74 Cb 1.11 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2pa4 h ALA 74 CO 0.12 -0.51 0.15 1.25 0.00 0.00 0.00 179.25 180.26 2pa4 h HIS 75 N 0.32 0.01 -0.32 0.00 -0.00 -0.97 0.10 115.15 114.28 2pa4 h HIS 75 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.77 2pa4 h HIS 75 Cb 1.08 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.49 2pa4 h HIS 75 CO -0.00 0.01 0.00 1.19 -0.00 0.00 0.00 177.93 179.12 2pa4 n PHE 76 N -4.48 0.41 -3.52 5.26 3.01 0.63 -4.50 117.46 114.28 2pa4 n PHE 76 Ca 0.02 -0.21 -0.22 0.00 1.01 0.00 0.00 57.45 58.06 2pa4 n PHE 76 Cb 0.29 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.75 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 -1.59 2.45 0.14 -1.08 2.02 0.02 -4.36 118.70 116.30 2pa4 s GLU 77 Ca 0.37 -1.65 -0.25 0.00 0.02 0.00 0.00 54.97 53.46 2pa4 s GLU 77 Cb 0.21 -2.38 -0.07 0.00 0.10 0.00 0.00 34.13 31.99 2pa4 s GLU 77 CO 0.30 -0.41 0.75 1.03 0.02 0.00 0.00 175.26 176.96 2pa4 s ARG 78 N -4.27 4.52 -0.91 1.61 1.81 -1.26 -4.93 118.95 115.52 2pa4 s ARG 78 Ca 0.47 1.10 -0.03 0.00 -1.72 0.00 0.00 55.73 55.56 2pa4 s ARG 78 Cb -0.04 -3.28 0.23 0.00 -0.45 0.00 0.00 34.95 31.41 2pa4 s ARG 78 CO 0.28 0.53 0.81 -1.12 -0.68 0.00 0.00 175.30 175.12 2pa4 s SER 79 N -0.96 6.14 0.01 0.23 0.01 -1.26 -4.85 113.70 113.01 2pa4 s SER 79 Ca 0.35 -3.68 -0.25 0.00 1.31 0.00 0.00 55.95 53.68 2pa4 s SER 79 Cb -0.22 -1.94 -0.17 0.00 0.21 0.00 0.00 66.02 63.89 2pa4 s SER 79 CO 0.25 -0.20 1.27 0.28 0.41 0.00 0.00 173.24 175.25 2pa4 h SER 80 N 6.12 -0.24 -0.34 2.44 0.02 -1.97 0.84 113.55 120.42 2pa4 h SER 80 Ca 0.16 -0.23 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2pa4 h SER 80 Cb 0.82 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.36 2pa4 h SER 80 CO 0.87 0.12 -0.43 -0.33 -1.14 0.00 0.00 176.83 175.92 2pa4 h GLU 81 N -0.64 -0.28 -0.09 3.45 5.08 -1.99 0.18 114.58 120.29 2pa4 h GLU 81 Ca -0.03 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2pa4 h GLU 81 Cb 0.46 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2pa4 h GLU 81 CO 0.05 -0.19 -0.17 1.25 -1.00 0.00 0.00 179.01 178.95 2pa4 h LEU 82 N -0.29 0.14 -0.48 1.33 5.85 -1.93 -2.77 115.31 117.16 2pa4 h LEU 82 Ca 0.06 -0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.58 2pa4 h LEU 82 Cb 0.45 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 2pa4 h LEU 82 CO -0.47 0.33 -0.59 -0.33 -0.34 0.00 0.00 178.44 177.04 2pa4 h GLU 83 N 0.14 0.54 0.00 1.25 5.08 0.16 -2.44 114.58 119.32 2pa4 h GLU 83 Ca 0.03 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2pa4 h GLU 83 Cb 0.39 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2pa4 h GLU 83 CO 0.03 0.98 0.00 0.93 -1.00 0.00 0.00 179.01 179.94 2pa4 h GLU 84 N 0.41 0.00 0.00 2.33 5.08 -0.39 -2.82 114.58 119.19 2pa4 h GLU 84 Ca -0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 2pa4 h GLU 84 Cb 1.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 2pa4 h GLU 84 CO 0.11 0.00 -1.65 2.41 -1.00 0.00 0.00 179.01 178.88 2pa4 n THR 85 N -2.89 1.41 -0.03 1.13 -1.04 -1.06 -4.40 114.28 107.39 2pa4 n THR 85 Ca 0.01 -0.76 -0.13 0.00 -2.04 0.00 0.00 64.05 61.14 2pa4 n THR 85 Cb 0.28 -0.87 -0.11 0.00 -1.82 0.00 0.00 70.33 67.81 2pa4 n THR 85 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2pa4 h LEU 86 N 0.00 -0.03 -0.96 -4.42 3.38 -1.19 -3.35 115.31 108.75 2pa4 h LEU 86 Ca -0.25 -0.70 0.12 0.00 0.09 0.00 0.00 57.88 57.14 2pa4 h LEU 86 Cb 1.85 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 42.53 2pa4 h LEU 86 CO 0.06 0.72 0.59 0.24 0.09 0.00 0.00 178.44 180.14 2pa4 h MET 87 N -0.82 0.89 -1.25 1.13 2.86 -1.78 -2.02 114.93 113.94 2pa4 h MET 87 Ca -0.00 -0.05 0.43 0.00 -2.06 0.00 0.00 59.70 58.01 2pa4 h MET 87 Cb 0.72 -0.20 -0.14 0.00 0.06 0.00 0.00 31.60 32.04 2pa4 h MET 87 CO 0.01 0.59 0.79 0.93 1.06 0.00 0.00 176.91 180.28 2pa4 h GLU 88 N 0.92 0.08 0.00 1.72 5.08 -1.77 -3.51 114.58 117.10 2pa4 h GLU 88 Ca 0.48 -0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.65 2pa4 h GLU 88 Cb 0.50 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2pa4 h GLU 88 CO -0.28 0.05 -1.70 0.54 -1.00 0.00 0.00 179.01 176.63 2pa4 n ARG 89 N -4.81 0.40 -0.01 2.33 3.00 -0.76 -5.18 116.66 111.62 2pa4 n ARG 89 Ca 0.37 0.07 0.00 0.00 -0.01 0.00 0.00 57.85 58.28 2pa4 n ARG 89 Cb 1.39 -1.25 0.00 0.00 0.00 0.00 0.00 32.46 32.60 2pa4 n ARG 89 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 2pa4 n ASP 93 N -2.84 0.00 -0.00 0.55 5.75 -1.26 -5.14 116.55 113.61 2pa4 n ASP 93 Ca -0.22 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.56 2pa4 n ASP 93 Cb 0.74 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.82 2pa4 n ASP 93 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pa4 n GLN 94 N -2.00 2.85 0.13 0.11 3.00 -1.26 -4.30 117.38 115.91 2pa4 n GLN 94 Ca 0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 2pa4 n GLN 94 Cb 0.00 -1.01 0.20 0.00 0.00 0.00 0.00 30.24 29.44 2pa4 n GLN 94 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2pa4 h VAL 95 N 0.00 1.39 0.17 5.09 2.07 -1.96 -1.56 116.25 121.44 2pa4 h VAL 95 Ca -0.00 -1.88 -0.01 0.00 0.82 0.00 0.00 66.70 65.63 2pa4 h VAL 95 Cb 0.73 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2pa4 h VAL 95 CO 0.00 0.54 -0.11 -0.33 0.02 0.00 0.00 177.57 177.70 2pa4 h GLU 96 N 0.05 -0.25 -0.87 1.57 5.08 -2.01 -2.72 114.58 115.43 2pa4 h GLU 96 Ca -0.00 0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.57 2pa4 h GLU 96 Cb 0.99 0.06 -0.16 0.00 0.50 0.00 0.00 28.75 30.13 2pa4 h GLU 96 CO 0.08 -0.17 -0.14 -0.89 -1.00 0.00 0.00 179.01 176.89 2pa4 n ILE 97 N -2.87 -0.37 0.85 3.13 2.08 -1.11 -0.42 119.36 120.65 2pa4 n ILE 97 Ca -0.03 1.97 0.12 0.00 0.56 0.00 0.00 62.75 65.36 2pa4 n ILE 97 Cb 0.11 -2.77 0.53 0.00 -0.75 0.00 0.00 39.64 36.76 2pa4 n ILE 97 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 2pa4 n ILE 98 N -5.36 0.29 1.03 1.39 -5.35 -0.61 -2.93 119.36 107.82 2pa4 n ILE 98 Ca 0.16 0.05 0.11 0.00 -0.27 0.00 0.00 62.75 62.80 2pa4 n ILE 98 Cb 0.52 -0.64 0.03 0.00 -1.74 0.00 0.00 39.64 37.81 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 -1.55 0.39 0.02 6.28 5.12 0.43 -4.63 116.66 122.73 2pa4 n ARG 99 Ca 0.06 -0.30 -0.08 0.00 -1.93 0.00 0.00 57.85 55.60 2pa4 n ARG 99 Cb 0.30 -1.49 -0.05 0.00 -1.16 0.00 0.00 32.46 30.06 2pa4 n ARG 99 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 2pa4 h ARG 100 N 0.74 -0.30 -0.71 5.56 2.43 -1.43 -2.24 114.38 118.42 2pa4 h ARG 100 Ca 0.00 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 2pa4 h ARG 100 Cb 0.56 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.12 2pa4 h ARG 100 CO 0.00 -0.20 0.36 0.00 -1.51 0.00 0.00 179.97 178.62 2pa4 h ALA 101 N -0.95 0.97 0.00 2.80 0.00 -1.82 -1.35 119.26 118.91 2pa4 h ALA 101 Ca 0.01 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2pa4 h ALA 101 Cb 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2pa4 h ALA 101 CO -0.19 -0.03 -0.24 0.00 0.00 0.00 0.00 179.25 178.79 2pa4 h ALA 102 N 1.42 1.60 0.00 0.00 0.00 -1.74 -2.79 119.26 117.75 2pa4 h ALA 102 Ca 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2pa4 h ALA 102 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2pa4 h ALA 102 CO -0.25 0.30 -0.43 0.38 0.00 0.00 0.00 179.25 179.24 2pa4 h ASP 103 N 0.00 0.00 -0.33 0.00 -0.00 -0.66 -3.35 116.42 112.09 2pa4 h ASP 103 Ca -0.00 -0.02 -0.13 0.00 -0.00 0.00 0.00 57.03 56.88 2pa4 h ASP 103 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.75 2pa4 h ASP 103 CO 0.03 0.01 -0.30 -0.07 -0.00 0.00 0.00 179.24 178.92 2pa4 h LEU 104 N 0.00 0.83 -7.11 0.15 3.38 -1.01 -3.48 115.31 108.07 2pa4 h LEU 104 Ca 0.00 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.55 2pa4 h LEU 104 Cb 0.95 -0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.34 2pa4 h LEU 104 CO 0.00 1.12 0.33 -0.51 0.09 0.00 0.00 178.44 179.47 2pa4 s ILE 105 N -4.40 0.00 -0.39 1.22 2.07 -1.22 -4.76 121.20 113.72 2pa4 s ILE 105 Ca -0.12 -0.11 -0.24 0.00 -1.41 0.00 0.00 60.65 58.77 2pa4 s ILE 105 Cb 0.09 -1.13 0.01 0.00 0.13 0.00 0.00 42.46 41.56 2pa4 s ILE 105 CO 0.84 0.00 0.83 -0.75 -1.91 0.00 0.00 174.94 173.95 2pa4 s LYS 106 N -3.51 3.69 -0.02 3.50 2.20 -1.16 -4.68 119.74 119.77 2pa4 s LYS 106 Ca 0.04 0.28 -0.26 0.00 -0.36 0.00 0.00 55.97 55.67 2pa4 s LYS 106 Cb -0.01 -3.84 -0.04 0.00 -1.51 0.00 0.00 37.83 32.43 2pa4 s LYS 106 CO -0.09 -0.95 0.82 0.00 -0.36 0.00 0.00 175.35 174.77 2pa4 s ALA 107 N 3.27 3.27 -0.22 3.13 0.00 -1.26 -0.31 121.76 129.64 2pa4 s ALA 107 Ca 0.33 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.62 2pa4 s ALA 107 Cb -0.12 -3.11 0.04 0.00 0.00 0.00 0.00 23.12 19.92 2pa4 s ALA 107 CO 0.19 -0.13 -0.15 0.08 0.00 0.00 0.00 175.76 175.75 2pa4 s VAL 108 N 0.76 2.16 0.21 0.00 1.01 0.12 -4.92 120.40 119.74 2pa4 s VAL 108 Ca 0.43 -1.27 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 2pa4 s VAL 108 Cb -0.19 -2.10 -0.08 0.00 0.00 0.00 0.00 36.38 34.01 2pa4 s VAL 108 CO 0.23 0.25 1.00 -2.16 0.00 0.00 0.00 175.10 174.42 2pa4 s PRO 109 N 1.20 4.74 -0.18 2.72 0.04 -1.26 -0.96 135.00 141.30 2pa4 s PRO 109 Ca -0.02 1.57 -0.02 0.00 0.04 0.00 0.00 61.00 62.57 2pa4 s PRO 109 Cb -0.17 -3.29 0.06 0.00 0.04 0.00 0.00 34.50 31.14 2pa4 s PRO 109 CO -0.09 0.32 0.01 0.08 0.04 0.00 0.00 177.00 177.37 2pa4 s VAL 110 N -0.74 0.69 0.13 -0.36 1.01 -0.47 -4.91 120.40 115.76 2pa4 s VAL 110 Ca 0.44 -0.58 -0.26 0.00 0.00 0.00 0.00 61.98 61.58 2pa4 s VAL 110 Cb -0.27 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.93 2pa4 s VAL 110 CO 0.33 -0.12 0.82 -0.89 0.00 0.00 0.00 175.10 175.24 2pa4 s THR 111 N 1.79 4.45 -0.31 3.92 2.01 -1.26 -1.20 115.64 125.05 2pa4 s THR 111 Ca -0.01 1.77 0.03 0.00 0.31 0.00 0.00 61.69 63.79 2pa4 s THR 111 Cb -0.17 -4.18 0.09 0.00 0.01 0.00 0.00 72.50 68.25 2pa4 s THR 111 CO -0.07 0.45 0.01 -1.58 -0.69 0.00 0.00 174.62 172.74 2pa4 s GLN 112 N -0.70 1.53 0.22 4.92 0.74 -0.05 -4.90 119.66 121.41 2pa4 s GLN 112 Ca 0.39 -1.54 -0.08 0.00 0.05 0.00 0.00 55.36 54.17 2pa4 s GLN 112 Cb -0.23 -2.89 0.28 0.00 1.10 0.00 0.00 33.01 31.28 2pa4 s GLN 112 CO 0.26 -0.83 1.79 -0.44 -0.55 0.00 0.00 175.29 175.53 2pa4 h ASP 113 N 7.76 0.50 -4.25 6.67 3.32 -1.95 -3.39 116.42 125.07 2pa4 h ASP 113 Ca -0.10 0.05 -0.56 0.00 0.02 0.00 0.00 57.03 56.43 2pa4 h ASP 113 Cb 1.03 -0.05 -0.24 0.00 0.22 0.00 0.00 39.33 40.29 2pa4 h ASP 113 CO 0.49 0.31 -0.83 -0.54 -1.72 0.00 0.00 179.24 176.94 2pa4 s LYS 114 N -6.08 1.25 -1.23 3.56 1.02 -1.26 -4.74 119.74 112.26 2pa4 s LYS 114 Ca -0.13 -1.01 -0.14 0.00 0.02 0.00 0.00 55.97 54.71 2pa4 s LYS 114 Cb 0.17 -1.41 0.15 0.00 -0.52 0.00 0.00 37.83 36.22 2pa4 s LYS 114 CO 0.76 0.35 1.50 -0.35 -0.92 0.00 0.00 175.35 176.69 2pa4 n PRO 115 N 1.56 3.35 0.00 -1.68 -0.04 -1.26 -4.74 135.00 132.19 2pa4 n PRO 115 Ca -0.18 -3.75 0.14 0.00 -0.04 0.00 0.00 63.50 59.67 2pa4 n PRO 115 Cb 0.53 -3.11 0.73 0.00 -0.04 0.00 0.00 33.50 31.62 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 6.02 0.00 0.00 1.53 4.77 -1.26 -4.97 117.00 123.08 2pa4 n LEU 116 Ca 0.39 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 2pa4 n LEU 116 Cb 0.43 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2pa4 n LEU 116 CO 0.65 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 2pa4 n GLY 117 N 0.98 4.26 0.22 -0.72 0.00 -1.26 -0.17 105.19 108.50 2pa4 n GLY 117 Ca 0.15 -1.51 -0.05 0.00 0.00 0.00 0.00 46.02 44.61 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 0.54 -0.04 0.99 5.85 -1.92 0.44 115.31 121.16 2pa4 h LEU 118 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2pa4 h LEU 118 Cb 0.00 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 2pa4 h LEU 118 CO 0.00 0.38 0.02 1.23 -0.34 0.00 0.00 178.44 179.73 2pa4 h GLY 119 N 0.66 0.06 0.70 3.75 0.00 -1.01 0.13 103.07 107.36 2pa4 h GLY 119 Ca 0.22 -0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.57 2pa4 h GLY 119 CO -0.10 0.03 0.24 0.84 0.00 0.00 0.00 176.54 177.55 2pa4 h HIS 120 N 0.00 0.44 -0.35 5.60 -0.00 -1.28 -1.48 115.15 118.08 2pa4 h HIS 120 Ca 0.01 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.43 2pa4 h HIS 120 Cb 0.05 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.31 2pa4 h HIS 120 CO -0.06 0.21 0.18 0.00 -0.00 0.00 0.00 177.93 178.26 2pa4 h ALA 121 N 1.28 0.44 -0.70 5.26 0.00 0.48 -2.13 119.26 123.88 2pa4 h ALA 121 Ca 0.23 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.16 2pa4 h ALA 121 Cb 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2pa4 h ALA 121 CO -0.17 -0.19 0.46 0.28 0.00 0.00 0.00 179.25 179.63 2pa4 h VAL 122 N 0.36 1.17 -0.68 0.00 2.07 -0.33 -2.49 116.25 116.35 2pa4 h VAL 122 Ca 0.15 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.37 2pa4 h VAL 122 Cb 0.06 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 2pa4 h VAL 122 CO -0.10 0.17 0.45 1.23 0.02 0.00 0.00 177.57 179.34 2pa4 h GLY 123 N 0.94 0.94 2.00 2.17 0.00 -0.61 -2.41 103.07 106.10 2pa4 h GLY 123 Ca 0.26 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 2pa4 h GLY 123 CO -0.06 0.30 -0.00 1.41 0.00 0.00 0.00 176.54 178.19 2pa4 h LEU 124 N 0.84 0.00 0.00 3.11 3.38 -1.17 -1.55 115.31 119.92 2pa4 h LEU 124 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2pa4 h LEU 124 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2pa4 h LEU 124 CO -0.07 0.00 -0.07 0.00 0.09 0.00 0.00 178.44 178.40 2pa4 h ALA 125 N 2.00 0.96 -0.78 1.53 0.00 -1.54 -3.36 119.26 118.07 2pa4 h ALA 125 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.02 2pa4 h ALA 125 Cb 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.72 2pa4 h ALA 125 CO 0.00 0.00 -0.43 1.49 0.00 0.00 0.00 179.25 180.31 2pa4 h GLU 126 N 0.00 -0.11 0.00 0.00 4.81 -1.42 0.47 114.58 118.34 2pa4 h GLU 126 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2pa4 h GLU 126 Cb 0.92 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.33 2pa4 h GLU 126 CO 0.00 -0.07 0.00 -1.13 -0.73 0.00 0.00 179.01 177.08 2pa4 n SER 127 N -5.41 0.20 -0.02 1.04 3.41 -1.26 -3.01 113.62 108.58 2pa4 n SER 127 Ca 0.05 0.57 -0.02 0.00 -0.26 0.00 0.00 58.87 59.21 2pa4 n SER 127 Cb 0.35 -0.61 -0.12 0.00 -0.26 0.00 0.00 64.21 63.57 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 -1.75 1.10 -2.34 -3.33 0.31 0.16 -4.94 118.33 107.55 2pa4 n VAL 128 Ca 0.01 -0.72 -0.39 0.00 -0.01 0.00 0.00 64.34 63.23 2pa4 n VAL 128 Cb 0.09 -0.58 -0.03 0.00 -0.91 0.00 0.00 33.84 32.41 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 -5.54 4.34 0.68 7.52 1.43 -1.03 -5.00 118.68 121.09 2pa4 s LEU 129 Ca -0.06 2.35 -0.16 0.00 -1.03 0.00 0.00 54.13 55.24 2pa4 s LEU 129 Cb 0.09 -3.85 0.01 0.00 0.03 0.00 0.00 46.19 42.47 2pa4 s LEU 129 CO 0.83 -0.47 1.19 -1.81 0.23 0.00 0.00 176.35 176.32 2pa4 s ASP 130 N -0.98 4.64 0.40 2.29 1.11 -1.26 -4.92 116.67 117.94 2pa4 s ASP 130 Ca 0.52 2.29 0.08 0.00 0.18 0.00 0.00 52.55 55.62 2pa4 s ASP 130 Cb -0.32 -2.58 0.82 0.00 1.07 0.00 0.00 42.92 41.91 2pa4 s ASP 130 CO 0.41 -1.96 1.98 0.44 1.18 0.00 0.00 175.17 177.22 2pa4 h ASP 131 N 0.07 0.33 0.56 0.27 3.32 -1.97 -2.40 116.42 116.61 2pa4 h ASP 131 Ca -0.48 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2pa4 h ASP 131 Cb 1.29 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2pa4 h ASP 131 CO 0.52 0.36 0.00 0.47 -1.72 0.00 0.00 179.24 178.87 2pa4 n ASP 132 N -4.37 0.00 -4.71 6.45 8.00 -1.26 -4.82 116.55 115.84 2pa4 n ASP 132 Ca 0.01 0.15 -0.42 0.00 0.71 0.00 0.00 54.79 55.24 2pa4 n ASP 132 Cb 0.18 -0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.88 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 -2.73 4.57 0.00 -1.24 2.02 -0.91 -4.97 118.70 115.44 2pa4 s GLU 133 Ca 0.18 1.44 0.03 0.00 0.02 0.00 0.00 54.97 56.64 2pa4 s GLU 133 Cb 0.15 -3.44 0.05 0.00 0.10 0.00 0.00 34.13 30.99 2pa4 s GLU 133 CO 0.37 -0.03 0.80 -0.40 0.02 0.00 0.00 175.26 176.02 2pa4 n ASP 134 N 3.78 1.67 -4.09 -0.19 3.85 -1.26 -4.94 116.55 115.37 2pa4 n ASP 134 Ca 0.06 -1.50 -0.14 0.00 -0.71 0.00 0.00 54.79 52.50 2pa4 n ASP 134 Cb 0.51 -0.03 -0.11 0.00 -1.35 0.00 0.00 41.12 40.13 2pa4 n ASP 134 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 2pa4 s VAL 135 N -0.57 0.67 -0.41 2.12 1.01 -1.26 -4.20 120.40 117.76 2pa4 s VAL 135 Ca 0.04 -1.15 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 2pa4 s VAL 135 Cb 0.03 -0.73 0.11 0.00 0.00 0.00 0.00 36.38 35.79 2pa4 s VAL 135 CO 0.04 -0.36 0.19 -0.69 0.00 0.00 0.00 175.10 174.28 2pa4 s VAL 136 N -1.40 3.12 -0.25 2.92 1.01 0.39 -4.92 120.40 121.27 2pa4 s VAL 136 Ca -0.08 -2.16 -0.21 0.00 0.00 0.00 0.00 61.98 59.53 2pa4 s VAL 136 Cb -0.10 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 2pa4 s VAL 136 CO 0.01 -0.69 0.68 0.00 0.00 0.00 0.00 175.10 175.10 2pa4 s ALA 137 N 1.04 3.62 -0.12 5.51 0.00 -1.26 -0.98 121.76 129.57 2pa4 s ALA 137 Ca 0.09 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 51.72 2pa4 s ALA 137 Cb -0.22 -3.09 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 2pa4 s ALA 137 CO -0.05 -0.83 -0.21 0.08 0.00 0.00 0.00 175.76 174.75 2pa4 s VAL 138 N 2.57 2.31 -0.16 0.00 1.01 -0.76 0.63 120.40 126.00 2pa4 s VAL 138 Ca 0.28 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 2pa4 s VAL 138 Cb -0.15 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.35 2pa4 s VAL 138 CO 0.08 0.55 -0.03 -0.04 0.00 0.00 0.00 175.10 175.66 2pa4 s MET 139 N 0.47 1.20 0.08 2.72 -1.94 -0.51 -1.59 119.30 119.73 2pa4 s MET 139 Ca -0.14 -0.41 -0.30 0.00 -1.71 0.00 0.00 55.69 53.13 2pa4 s MET 139 Cb -0.17 -1.87 -0.06 0.00 2.01 0.00 0.00 34.83 34.74 2pa4 s MET 139 CO 0.06 -0.44 1.17 -0.51 -0.01 0.00 0.00 175.02 175.28 2pa4 s LEU 140 N 1.72 4.39 0.00 -0.03 1.43 -0.28 -4.26 118.68 121.64 2pa4 s LEU 140 Ca 0.01 2.01 0.18 0.00 -1.03 0.00 0.00 54.13 55.30 2pa4 s LEU 140 Cb -0.15 -3.58 1.05 0.00 0.03 0.00 0.00 46.19 43.53 2pa4 s LEU 140 CO -0.07 -0.41 1.68 -0.81 0.23 0.00 0.00 176.35 176.96 2pa4 n PRO 141 N 3.62 1.06 -0.49 1.29 -0.04 -1.26 -3.41 135.00 135.76 2pa4 n PRO 141 Ca 0.07 -0.09 0.05 0.00 -0.04 0.00 0.00 63.50 63.50 2pa4 n PRO 141 Cb 0.47 -1.29 0.21 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.69 2.91 -3.67 3.54 5.75 -1.26 -3.58 116.55 119.54 2pa4 n ASP 142 Ca 0.14 -3.35 -0.17 0.00 -0.01 0.00 0.00 54.79 51.39 2pa4 n ASP 142 Cb 0.08 -0.55 -0.16 0.00 -1.03 0.00 0.00 41.12 39.47 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 -2.45 0.79 -0.16 -1.12 -1.08 -1.22 -0.03 116.67 111.40 2pa4 s ASP 143 Ca 0.40 0.29 -0.05 0.00 -0.52 0.00 0.00 52.55 52.67 2pa4 s ASP 143 Cb 0.35 0.20 -0.03 0.00 -1.46 0.00 0.00 42.92 41.98 2pa4 s ASP 143 CO 0.03 -0.24 0.01 -0.76 0.52 0.00 0.00 175.17 174.73 2pa4 s LEU 144 N 2.24 3.51 -0.27 -1.34 1.43 -0.20 -4.85 118.68 119.21 2pa4 s LEU 144 Ca 0.03 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 2pa4 s LEU 144 Cb -0.12 -1.86 0.05 0.00 0.03 0.00 0.00 46.19 44.29 2pa4 s LEU 144 CO -0.05 0.19 -0.07 -0.69 0.23 0.00 0.00 176.35 175.96 2pa4 s VAL 145 N 0.25 2.59 -0.05 -1.59 1.01 -1.26 -1.21 120.40 120.15 2pa4 s VAL 145 Ca 0.00 -1.40 0.05 0.00 0.00 0.00 0.00 61.98 60.64 2pa4 s VAL 145 Cb -0.13 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 2pa4 s VAL 145 CO 0.02 0.01 -0.20 -0.76 0.00 0.00 0.00 175.10 174.18 2pa4 s LEU 146 N 1.21 2.42 0.70 3.92 1.43 0.25 -3.38 118.68 125.23 2pa4 s LEU 146 Ca -0.05 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 2pa4 s LEU 146 Cb -0.19 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.58 2pa4 s LEU 146 CO -0.04 0.31 1.06 -2.16 0.23 0.00 0.00 176.35 175.76 2pa4 s PRO 147 N -0.54 2.91 0.62 1.29 0.04 -1.26 -1.15 135.00 136.91 2pa4 s PRO 147 Ca 0.07 0.82 -0.19 0.00 0.04 0.00 0.00 61.00 61.75 2pa4 s PRO 147 Cb -0.11 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 2pa4 s PRO 147 CO 0.01 -1.08 1.28 0.95 0.04 0.00 0.00 177.00 178.20 2pa4 s THR 148 N -3.11 2.19 0.00 1.26 -4.23 -1.22 -4.40 115.64 106.14 2pa4 s THR 148 Ca 0.58 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 2pa4 s THR 148 Cb -0.13 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.65 2pa4 s THR 148 CO 0.54 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 2pa4 n GLY 149 N 0.78 -0.04 0.27 3.99 0.00 -1.26 -5.02 105.19 103.91 2pa4 n GLY 149 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 2pa4 n GLY 149 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2pa4 h VAL 150 N 0.00 1.02 0.00 1.61 -1.51 -1.90 -1.15 116.25 114.32 2pa4 h VAL 150 Ca 0.00 -0.05 -0.03 0.00 -1.23 0.00 0.00 66.70 65.39 2pa4 h VAL 150 Cb 0.00 0.91 -0.00 0.00 -2.13 0.00 0.00 31.29 30.07 2pa4 h VAL 150 CO 0.00 0.02 -0.14 0.24 -1.23 0.00 0.00 177.57 176.46 2pa4 h MET 151 N 0.11 0.00 -0.35 5.19 2.86 -1.96 0.23 114.93 121.00 2pa4 h MET 151 Ca 0.03 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 2pa4 h MET 151 Cb -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2pa4 h MET 151 CO -0.01 0.14 -0.33 0.93 1.06 0.00 0.00 176.91 178.70 2pa4 h GLU 152 N 0.00 0.79 0.25 1.72 5.08 -1.63 -1.10 114.58 119.69 2pa4 h GLU 152 Ca -0.00 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 2pa4 h GLU 152 Cb 0.32 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2pa4 h GLU 152 CO 0.02 1.01 -0.12 -0.09 -1.00 0.00 0.00 179.01 178.82 2pa4 h ARG 153 N 0.66 -0.32 -0.81 2.33 9.65 -1.28 -3.01 114.38 121.59 2pa4 h ARG 153 Ca 0.07 0.02 0.14 0.00 -1.10 0.00 0.00 59.98 59.11 2pa4 h ARG 153 Cb 0.88 0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 29.44 2pa4 h ARG 153 CO 0.08 0.03 0.39 0.52 2.80 0.00 0.00 179.97 183.78 2pa4 h MET 154 N -0.75 0.54 0.00 0.20 2.86 -0.53 0.10 114.93 117.35 2pa4 h MET 154 Ca -0.03 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2pa4 h MET 154 Cb 0.50 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 2pa4 h MET 154 CO 0.06 0.36 -0.00 0.00 1.06 0.00 0.00 176.91 178.38 2pa4 h ALA 155 N 1.55 1.68 -0.06 6.32 0.00 -1.15 -1.53 119.26 126.07 2pa4 h ALA 155 Ca 0.44 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 2pa4 h ALA 155 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2pa4 h ALA 155 CO -0.38 0.00 -0.34 1.96 0.00 0.00 0.00 179.25 180.50 2pa4 h GLN 156 N 0.00 0.34 -0.81 0.00 4.20 -0.68 -1.73 115.11 116.42 2pa4 h GLN 156 Ca -0.00 -0.28 0.04 0.00 0.06 0.00 0.00 58.65 58.47 2pa4 h GLN 156 Cb 0.01 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 2pa4 h GLN 156 CO 0.00 0.93 0.53 0.28 -0.67 0.00 0.00 178.83 179.90 2pa4 h VAL 157 N -0.16 1.11 -0.07 -0.54 2.07 -0.69 -1.84 116.25 116.13 2pa4 h VAL 157 Ca -0.02 -0.33 -0.16 0.00 0.82 0.00 0.00 66.70 67.00 2pa4 h VAL 157 Cb 0.99 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2pa4 h VAL 157 CO 0.07 0.18 -0.67 -0.09 0.02 0.00 0.00 177.57 177.07 2pa4 h ARG 158 N 0.97 0.30 -0.03 1.57 2.43 -1.24 -0.32 114.38 118.07 2pa4 h ARG 158 Ca 0.33 -0.23 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 2pa4 h ARG 158 Cb 0.08 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2pa4 h ARG 158 CO -0.10 0.87 -0.40 0.00 -1.51 0.00 0.00 179.97 178.82 2pa4 h ALA 159 N 1.07 1.28 0.01 2.80 0.00 -0.73 0.45 119.26 124.14 2pa4 h ALA 159 Ca -0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2pa4 h ALA 159 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2pa4 h ALA 159 CO 0.11 0.53 -0.00 1.49 0.00 0.00 0.00 179.25 181.37 2pa4 h GLU 160 N 0.05 -0.01 0.00 0.00 4.81 -1.20 -3.40 114.58 114.83 2pa4 h GLU 160 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2pa4 h GLU 160 Cb 0.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2pa4 h GLU 160 CO 0.05 -0.01 -0.55 1.19 -0.73 0.00 0.00 179.01 178.96 2pa4 n PHE 161 N -3.81 0.49 -4.89 0.92 3.01 -0.14 -5.07 117.46 107.96 2pa4 n PHE 161 Ca -0.00 0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.60 2pa4 n PHE 161 Cb 0.00 -0.61 0.00 0.00 -0.01 0.00 0.00 39.48 38.86 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 1.36 -0.68 4.43 1.37 0.00 0.16 -4.90 105.19 106.93 2pa4 n GLY 162 Ca 0.04 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.25 3.14 -0.02 0.00 -1.26 -4.71 105.19 102.09 2pa4 n GLY 163 Ca 0.00 -1.37 -0.23 0.00 0.00 0.00 0.00 46.02 44.41 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 1.84 -0.05 1.61 0.01 0.64 -4.09 113.70 109.66 2pa4 s SER 164 Ca 0.00 -0.29 0.05 0.00 1.31 0.00 0.00 55.95 57.03 2pa4 s SER 164 Cb 0.00 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 66.02 2pa4 s SER 164 CO 0.00 0.19 -0.21 -0.69 0.41 0.00 0.00 173.24 172.94 2pa4 s VAL 165 N -0.38 1.75 0.26 3.43 1.01 -0.39 -1.49 120.40 124.60 2pa4 s VAL 165 Ca 0.06 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.23 2pa4 s VAL 165 Cb -0.06 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 2pa4 s VAL 165 CO -0.01 0.49 -0.12 -0.76 0.00 0.00 0.00 175.10 174.70 2pa4 s LEU 166 N -0.08 2.56 -0.12 3.92 1.02 -0.46 -1.15 118.68 124.38 2pa4 s LEU 166 Ca -0.03 -1.10 -0.02 0.00 0.02 0.00 0.00 54.13 53.00 2pa4 s LEU 166 Cb -0.13 -0.80 -0.03 0.00 0.02 0.00 0.00 46.19 45.25 2pa4 s LEU 166 CO 0.03 -0.18 -0.05 0.00 0.02 0.00 0.00 176.35 176.17 2pa4 s ALA 168 N -0.08 2.32 -0.06 0.00 0.00 -0.87 -0.40 121.76 122.67 2pa4 s ALA 168 Ca 0.01 -2.01 -0.21 0.00 0.00 0.00 0.00 51.96 49.76 2pa4 s ALA 168 Cb -0.13 0.54 0.04 0.00 0.00 0.00 0.00 23.12 23.57 2pa4 s ALA 168 CO 0.03 -0.25 0.46 0.14 0.00 0.00 0.00 175.76 176.14 2pa4 s VAL 169 N -3.24 0.03 0.45 0.00 -7.23 -0.78 -0.79 120.40 108.83 2pa4 s VAL 169 Ca 0.34 -0.23 -0.22 0.00 -1.81 0.00 0.00 61.98 60.05 2pa4 s VAL 169 Cb 0.08 -0.75 -0.08 0.00 0.56 0.00 0.00 36.38 36.18 2pa4 s VAL 169 CO 0.14 -0.13 1.09 -0.70 -0.31 0.00 0.00 175.10 175.19 2pa4 s GLU 170 N -1.00 3.90 0.20 4.82 2.12 -1.26 -1.82 118.70 125.66 2pa4 s GLU 170 Ca -0.10 1.57 0.04 0.00 0.36 0.00 0.00 54.97 56.84 2pa4 s GLU 170 Cb -0.03 -2.36 -0.02 0.00 0.26 0.00 0.00 34.13 31.98 2pa4 s GLU 170 CO 0.05 -0.39 0.16 0.28 -0.54 0.00 0.00 175.26 174.83 2pa4 n VAL 171 N -0.49 0.00 -4.26 3.70 0.31 -0.15 -4.91 118.33 112.53 2pa4 n VAL 171 Ca 0.07 -1.45 -0.17 0.00 -0.01 0.00 0.00 64.34 62.78 2pa4 n VAL 171 Cb 0.50 0.70 -0.14 0.00 -0.91 0.00 0.00 33.84 33.99 2pa4 n VAL 171 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2pa4 s SER 172 N -2.40 0.89 0.00 4.52 1.04 -1.26 -4.85 113.70 111.64 2pa4 s SER 172 Ca 0.23 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.49 2pa4 s SER 172 Cb 0.01 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.04 2pa4 s SER 172 CO 0.16 0.07 0.00 -0.62 0.98 0.00 0.00 173.24 173.83 2pa4 n GLU 173 N 2.78 0.00 0.11 4.02 1.02 -1.26 0.35 120.64 127.66 2pa4 n GLU 173 Ca -0.14 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 56.99 2pa4 n GLU 173 Cb 0.57 0.00 0.27 0.00 -0.02 0.00 0.00 31.44 32.26 2pa4 n GLU 173 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pa4 h ALA 174 N 0.00 1.21 -0.55 0.62 0.00 -2.00 -3.04 119.26 115.50 2pa4 h ALA 174 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2pa4 h ALA 174 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2pa4 h ALA 174 CO 0.00 0.53 0.00 -0.25 0.00 0.00 0.00 179.25 179.53 2pa4 n ASP 175 N -4.08 4.64 0.12 0.00 8.00 1.09 -4.48 116.55 121.84 2pa4 n ASP 175 Ca -0.01 -2.58 -0.21 0.00 0.71 0.00 0.00 54.79 52.70 2pa4 n ASP 175 Cb 0.43 -0.56 -0.14 0.00 -0.02 0.00 0.00 41.12 40.83 2pa4 n ASP 175 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2pa4 h VAL 176 N 3.54 1.34 0.00 2.53 3.04 -1.39 -3.33 116.25 121.98 2pa4 h VAL 176 Ca 0.00 -2.71 0.00 0.00 -1.01 0.00 0.00 66.70 62.98 2pa4 h VAL 176 Cb 1.48 2.89 0.00 0.00 -2.01 0.00 0.00 31.29 33.65 2pa4 h VAL 176 CO 0.25 0.81 0.00 -1.54 -1.01 0.00 0.00 177.57 176.09 2pa4 n SER 177 N -3.69 0.00 0.02 3.17 3.41 -1.24 -2.98 113.62 112.30 2pa4 n SER 177 Ca -0.13 -0.50 0.11 0.00 -0.26 0.00 0.00 58.87 58.09 2pa4 n SER 177 Cb 1.04 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.98 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 -1.02 0.23 -4.63 4.33 5.02 -1.25 -4.43 118.16 116.41 2pa4 n LYS 178 Ca 0.13 -0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 56.12 2pa4 n LYS 178 Cb 0.07 -1.56 -0.08 0.00 -0.02 0.00 0.00 35.03 33.43 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 -3.16 1.90 -0.18 2.13 4.12 -1.16 -4.84 117.35 116.16 2pa4 s TYR 179 Ca 0.04 -1.06 -0.24 0.00 0.02 0.00 0.00 57.07 55.84 2pa4 s TYR 179 Cb 0.15 -1.42 -0.02 0.00 -1.52 0.00 0.00 41.96 39.15 2pa4 s TYR 179 CO 0.81 0.02 0.75 0.20 0.02 0.00 0.00 175.55 177.36 2pa4 s GLY 180 N -3.72 2.10 -0.15 0.71 0.00 -1.26 -0.10 107.32 104.90 2pa4 s GLY 180 Ca 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 44.72 44.80 2pa4 s GLY 180 CO 0.10 1.52 -0.06 -0.42 0.00 0.00 0.00 173.10 174.24 2pa4 s ILE 181 N 2.02 3.68 0.31 0.90 -1.09 0.94 0.42 121.20 128.39 2pa4 s ILE 181 Ca 0.35 -0.44 -0.13 0.00 -2.23 0.00 0.00 60.65 58.20 2pa4 s ILE 181 Cb -0.16 -2.60 -0.08 0.00 -1.58 0.00 0.00 42.46 38.04 2pa4 s ILE 181 CO 0.12 0.51 0.70 -0.36 -1.23 0.00 0.00 174.94 174.67 2pa4 s PHE 182 N 0.31 3.39 -0.36 3.97 0.40 -0.44 -1.08 117.98 124.17 2pa4 s PHE 182 Ca -0.05 1.12 -0.07 0.00 -0.60 0.00 0.00 56.93 57.33 2pa4 s PHE 182 Cb -0.14 -2.46 0.05 0.00 0.51 0.00 0.00 43.02 40.97 2pa4 s PHE 182 CO 0.04 0.11 0.14 -2.00 0.70 0.00 0.00 175.22 174.21 2pa4 s GLU 183 N -3.05 2.59 0.24 0.44 2.12 -0.07 -3.69 118.70 117.27 2pa4 s GLU 183 Ca 0.52 -1.27 -0.30 0.00 0.36 0.00 0.00 54.97 54.29 2pa4 s GLU 183 Cb -0.10 -3.54 -0.09 0.00 0.26 0.00 0.00 34.13 30.66 2pa4 s GLU 183 CO 0.20 -0.75 1.22 0.42 -0.54 0.00 0.00 175.26 175.81 2pa4 s ILE 184 N 1.40 3.31 -0.22 -3.70 -1.09 -1.26 -1.74 121.20 117.90 2pa4 s ILE 184 Ca -0.00 1.19 -0.13 0.00 -2.23 0.00 0.00 60.65 59.48 2pa4 s ILE 184 Cb -0.20 -3.76 -0.09 0.00 -1.58 0.00 0.00 42.46 36.83 2pa4 s ILE 184 CO 0.02 0.23 -0.31 1.21 -1.23 0.00 0.00 174.94 174.87 2pa4 n GLU 185 N 1.90 0.49 -3.80 2.79 2.13 -0.16 -4.68 120.64 119.30 2pa4 n GLU 185 Ca 0.03 0.21 -0.13 0.00 0.66 0.00 0.00 57.16 57.93 2pa4 n GLU 185 Cb 0.44 -1.33 -0.11 0.00 0.27 0.00 0.00 31.44 30.70 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 -2.50 -0.55 1.00 4.31 0.00 -1.18 -5.01 121.76 117.84 2pa4 s ALA 186 Ca -0.32 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2pa4 s ALA 186 Cb 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.93 2pa4 s ALA 186 CO 0.41 -0.13 0.00 -0.25 0.00 0.00 0.00 175.76 175.79 2pa4 n ASP 187 N 2.71 0.00 -2.39 0.00 8.00 -1.26 -2.22 116.55 121.39 2pa4 n ASP 187 Ca -0.14 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.37 2pa4 n ASP 187 Cb 0.58 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.69 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 -0.22 0.00 0.12 -3.53 -2.24 -1.26 -4.46 114.28 102.69 2pa4 n THR 188 Ca 0.00 -0.11 -0.05 0.00 -2.27 0.00 0.00 64.05 61.63 2pa4 n THR 188 Cb 0.00 0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 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 -0.30 -6.46 -0.78 3.64 -1.96 -3.41 116.57 107.30 2pa4 h LYS 189 Ca -0.11 0.02 -0.54 0.00 -1.27 0.00 0.00 60.65 58.75 2pa4 h LYS 189 Cb 0.59 0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.49 2pa4 h LYS 189 CO 0.16 -0.20 0.81 -0.51 -2.27 0.00 0.00 179.45 177.44 2pa4 s ASP 190 N -2.52 6.81 0.60 4.20 1.01 -1.26 -4.90 116.67 120.61 2pa4 s ASP 190 Ca -0.05 2.25 0.30 0.00 0.71 0.00 0.00 52.55 55.76 2pa4 s ASP 190 Cb 0.01 -2.57 1.70 0.00 1.01 0.00 0.00 42.92 43.06 2pa4 s ASP 190 CO 0.14 -0.71 2.09 0.77 0.21 0.00 0.00 175.17 177.67 2pa4 h SER 191 N 7.46 0.00 -0.48 0.27 4.64 -2.03 -2.60 113.55 120.81 2pa4 h SER 191 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 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 0.89 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.95 2pa4 n ASP 192 N -3.68 3.47 -3.98 4.97 5.75 -1.26 -4.88 116.55 116.94 2pa4 n ASP 192 Ca 0.01 -1.96 -0.29 0.00 -0.01 0.00 0.00 54.79 52.54 2pa4 n ASP 192 Cb 0.33 -0.31 -0.16 0.00 -1.03 0.00 0.00 41.12 39.94 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 -1.21 1.43 0.17 2.12 1.01 -0.98 0.36 120.40 123.29 2pa4 s VAL 193 Ca 0.38 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.81 2pa4 s VAL 193 Cb 0.21 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2pa4 s VAL 193 CO 0.29 0.34 -0.21 -0.54 0.00 0.00 0.00 175.10 174.98 2pa4 s LYS 194 N 1.53 1.38 -0.02 2.72 1.02 -0.61 -4.21 119.74 121.54 2pa4 s LYS 194 Ca 0.03 -1.45 -0.08 0.00 0.02 0.00 0.00 55.97 54.50 2pa4 s LYS 194 Cb -0.14 -1.57 -0.05 0.00 -0.52 0.00 0.00 37.83 35.56 2pa4 s LYS 194 CO -0.09 0.33 0.26 0.21 -0.92 0.00 0.00 175.35 175.14 2pa4 s LYS 195 N -2.68 3.59 0.02 1.68 2.20 -0.94 -1.03 119.74 122.57 2pa4 s LYS 195 Ca 0.17 -0.03 0.06 0.00 -0.36 0.00 0.00 55.97 55.81 2pa4 s LYS 195 Cb -0.07 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.10 2pa4 s LYS 195 CO 0.08 0.68 -0.16 0.08 -0.36 0.00 0.00 175.35 175.67 2pa4 s VAL 196 N -1.22 2.95 -0.04 4.02 1.01 -0.39 -0.99 120.40 125.74 2pa4 s VAL 196 Ca 0.25 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 61.22 2pa4 s VAL 196 Cb -0.13 -2.24 0.08 0.00 0.00 0.00 0.00 36.38 34.09 2pa4 s VAL 196 CO 0.13 0.38 1.01 2.29 0.00 0.00 0.00 175.10 178.92 2pa4 n LYS 197 N 1.65 2.25 -3.65 2.72 2.85 -0.71 -4.62 118.16 118.65 2pa4 n LYS 197 Ca -0.16 -1.74 -0.02 0.00 -1.05 0.00 0.00 58.31 55.34 2pa4 n LYS 197 Cb 0.52 -1.10 -0.02 0.00 -0.65 0.00 0.00 35.03 33.78 2pa4 n LYS 197 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2pa4 s GLY 198 N -1.48 -0.14 -0.29 2.58 0.00 -1.13 -4.87 107.32 101.99 2pa4 s GLY 198 Ca 0.09 2.11 -0.13 0.00 0.00 0.00 0.00 44.72 46.79 2pa4 s GLY 198 CO 0.01 0.73 0.76 -0.29 0.00 0.00 0.00 173.10 174.31 2pa4 s MET 199 N -1.83 0.53 -0.01 2.90 1.75 -1.26 -0.90 119.30 120.49 2pa4 s MET 199 Ca 0.12 1.17 0.07 0.00 -1.25 0.00 0.00 55.69 55.79 2pa4 s MET 199 Cb -0.01 0.51 -0.02 0.00 2.84 0.00 0.00 34.83 38.15 2pa4 s MET 199 CO -0.03 -0.15 -0.22 0.54 -0.65 0.00 0.00 175.02 174.51 2pa4 s VAL 200 N 2.30 1.71 -0.22 10.11 0.11 -0.24 -4.69 120.40 129.48 2pa4 s VAL 200 Ca -0.07 -0.96 -0.18 0.00 -2.93 0.00 0.00 61.98 57.84 2pa4 s VAL 200 Cb -0.08 -1.43 -0.03 0.00 -1.53 0.00 0.00 36.38 33.31 2pa4 s VAL 200 CO -0.18 0.45 0.53 -0.70 -3.33 0.00 0.00 175.10 171.86 2pa4 s GLU 201 N -0.59 4.16 -1.28 1.54 2.56 -1.26 -0.04 118.70 123.78 2pa4 s GLU 201 Ca 0.08 0.41 -0.11 0.00 0.00 0.00 0.00 54.97 55.35 2pa4 s GLU 201 Cb -0.08 -3.59 0.00 0.00 2.00 0.00 0.00 34.13 32.46 2pa4 s GLU 201 CO -0.00 -0.21 0.58 1.63 -0.56 0.00 0.00 175.26 176.70 2pa4 n LYS 202 N 5.01 -2.19 -2.49 4.30 5.02 0.86 -4.88 118.16 123.79 2pa4 n LYS 202 Ca -0.04 0.39 -0.38 0.00 -2.02 0.00 0.00 58.31 56.26 2pa4 n LYS 202 Cb 0.50 -4.18 -0.04 0.00 -0.02 0.00 0.00 35.03 31.29 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 -6.41 4.24 0.89 1.97 0.04 -1.26 -4.85 135.00 129.62 2pa4 s PRO 203 Ca 0.23 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 2pa4 s PRO 203 Cb -0.09 -2.70 0.07 0.00 0.04 0.00 0.00 34.50 31.82 2pa4 s PRO 203 CO 0.89 -0.10 0.81 0.00 0.04 0.00 0.00 177.00 178.63 2pa4 n ALA 204 N 0.21 -1.42 -0.32 8.56 0.00 -1.26 -3.68 120.51 122.60 2pa4 n ALA 204 Ca 0.04 -0.50 0.20 0.00 0.00 0.00 0.00 53.44 53.18 2pa4 n ALA 204 Cb 0.48 -2.02 0.47 0.00 0.00 0.00 0.00 19.45 18.38 2pa4 n ALA 204 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2pa4 h ILE 205 N -1.41 0.58 0.65 0.00 5.03 -1.94 -2.39 117.51 118.02 2pa4 h ILE 205 Ca -0.44 -0.16 -0.03 0.00 -0.12 0.00 0.00 64.86 64.11 2pa4 h ILE 205 Cb 1.29 0.06 0.01 0.00 -3.03 0.00 0.00 36.82 35.15 2pa4 h ILE 205 CO 0.39 0.09 -0.31 -0.33 -0.68 0.00 0.00 178.15 177.31 2pa4 h GLU 206 N 0.47 -0.84 0.00 2.37 4.39 -1.96 -3.32 114.58 115.69 2pa4 h GLU 206 Ca 0.58 0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.33 2pa4 h GLU 206 Cb 1.33 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.17 2pa4 h GLU 206 CO -0.31 -0.54 0.00 -0.44 -1.16 0.00 0.00 179.01 176.56 2pa4 h ASP 207 N -0.93 0.00 -1.30 1.42 3.32 -1.76 -3.46 116.42 113.72 2pa4 h ASP 207 Ca -0.09 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.32 2pa4 h ASP 207 Cb 0.69 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 2pa4 h ASP 207 CO 0.15 0.00 1.45 0.00 -1.72 0.00 0.00 179.24 179.12 2pa4 n ALA 208 N -2.07 1.23 0.18 3.45 0.00 -1.16 -4.80 120.51 117.34 2pa4 n ALA 208 Ca -0.01 -0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.30 2pa4 n ALA 208 Cb 0.18 -2.65 0.06 0.00 0.00 0.00 0.00 19.45 17.04 2pa4 n ALA 208 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2pa4 n PRO 209 N 8.37 0.09 -3.08 0.00 -0.04 -1.26 -4.76 135.00 134.32 2pa4 n PRO 209 Ca 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 2pa4 n PRO 209 Cb 0.29 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.84 0.00 -0.36 3.54 3.41 -1.24 -4.49 113.62 113.64 2pa4 n SER 210 Ca 0.01 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.68 2pa4 n SER 210 Cb 0.01 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.04 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 0.00 0.73 -3.52 4.33 1.74 -1.26 -4.94 116.66 113.73 2pa4 n ARG 211 Ca 0.00 -1.98 -0.41 0.00 -0.77 0.00 0.00 57.85 54.69 2pa4 n ARG 211 Cb 0.00 -1.03 -0.11 0.00 -1.02 0.00 0.00 32.46 30.30 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 -1.62 4.70 -0.00 0.55 1.43 -1.26 -0.98 118.68 121.50 2pa4 s LEU 212 Ca 0.20 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2pa4 s LEU 212 Cb 0.18 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 2pa4 s LEU 212 CO -0.00 -0.32 0.03 0.00 0.23 0.00 0.00 176.35 176.29 2pa4 s ALA 213 N 1.68 3.40 0.10 4.21 0.00 -0.76 -1.33 121.76 129.07 2pa4 s ALA 213 Ca 0.05 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.79 2pa4 s ALA 213 Cb -0.18 -1.43 -0.06 0.00 0.00 0.00 0.00 23.12 21.45 2pa4 s ALA 213 CO 0.10 0.66 1.09 0.00 0.00 0.00 0.00 175.76 177.61 2pa4 s ALA 214 N -1.13 3.32 0.65 0.00 0.00 0.17 -1.86 121.76 122.92 2pa4 s ALA 214 Ca 0.21 0.75 -0.00 0.00 0.00 0.00 0.00 51.96 52.91 2pa4 s ALA 214 Cb -0.12 -3.37 0.11 0.00 0.00 0.00 0.00 23.12 19.74 2pa4 s ALA 214 CO 0.12 -0.26 0.76 -2.37 0.00 0.00 0.00 175.76 174.00 2pa4 n THR 215 N 3.17 0.00 -1.46 0.00 5.66 0.46 -4.56 114.28 117.55 2pa4 n THR 215 Ca 0.05 -1.19 -0.29 0.00 -3.05 0.00 0.00 64.05 59.56 2pa4 n THR 215 Cb 0.47 -1.01 -0.07 0.00 -1.55 0.00 0.00 70.33 68.18 2pa4 n THR 215 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2pa4 n GLY 216 N -0.81 4.22 2.70 1.09 0.00 -1.26 -4.72 105.19 106.41 2pa4 n GLY 216 Ca 0.13 -1.67 -0.19 0.00 0.00 0.00 0.00 46.02 44.28 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 0.01 -0.07 0.01 1.61 1.81 -1.26 -1.13 118.95 119.94 2pa4 s ARG 217 Ca 0.62 0.35 -0.03 0.00 -1.72 0.00 0.00 55.73 54.96 2pa4 s ARG 217 Cb 0.27 -0.45 -0.01 0.00 -0.45 0.00 0.00 34.95 34.31 2pa4 s ARG 217 CO -0.10 -0.30 0.03 0.71 -0.68 0.00 0.00 175.30 174.97 2pa4 s TYR 218 N 1.97 0.15 -0.26 -0.53 1.51 -0.62 -2.62 117.35 116.95 2pa4 s TYR 218 Ca 0.02 -0.32 -0.01 0.00 -1.01 0.00 0.00 57.07 55.75 2pa4 s TYR 218 Cb -0.12 -0.12 0.08 0.00 -0.11 0.00 0.00 41.96 41.69 2pa4 s TYR 218 CO -0.03 -0.20 0.05 -0.51 -1.11 0.00 0.00 175.55 173.74 2pa4 s LEU 219 N -1.26 2.11 0.06 -1.29 1.43 -0.30 -1.83 118.68 117.60 2pa4 s LEU 219 Ca -0.14 -1.33 0.07 0.00 -1.03 0.00 0.00 54.13 51.70 2pa4 s LEU 219 Cb -0.08 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 2pa4 s LEU 219 CO -0.00 -0.35 -0.15 -0.76 0.23 0.00 0.00 176.35 175.32 2pa4 s LEU 220 N 1.61 2.76 0.37 1.79 1.43 -0.15 -1.26 118.68 125.22 2pa4 s LEU 220 Ca 0.04 -0.40 -0.26 0.00 -1.03 0.00 0.00 54.13 52.47 2pa4 s LEU 220 Cb -0.18 -1.61 -0.09 0.00 0.03 0.00 0.00 46.19 44.35 2pa4 s LEU 220 CO -0.16 0.24 1.15 -0.62 0.23 0.00 0.00 176.35 177.19 2pa4 s ASP 221 N -1.65 6.73 0.14 2.29 -1.08 -1.26 -0.46 116.67 121.39 2pa4 s ASP 221 Ca 0.16 2.33 0.05 0.00 -0.52 0.00 0.00 52.55 54.57 2pa4 s ASP 221 Cb -0.11 -2.62 0.25 0.00 -1.46 0.00 0.00 42.92 38.99 2pa4 s ASP 221 CO 0.07 -0.53 0.94 0.54 0.52 0.00 0.00 175.17 176.72 2pa4 n ARG 222 N 0.36 0.03 0.31 4.34 1.74 -1.26 -0.60 116.66 121.58 2pa4 n ARG 222 Ca 0.03 0.38 0.20 0.00 -0.77 0.00 0.00 57.85 57.68 2pa4 n ARG 222 Cb 0.46 -1.91 0.96 0.00 -1.02 0.00 0.00 32.46 30.95 2pa4 n ARG 222 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2pa4 h LYS 223 N 0.00 0.00 -0.20 5.56 1.57 -1.95 -2.47 116.57 119.07 2pa4 h LYS 223 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2pa4 h LYS 223 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2pa4 h LYS 223 CO 0.00 0.01 0.19 0.97 -0.57 0.00 0.00 179.45 180.05 2pa4 h ILE 224 N 0.00 0.58 -0.26 1.86 6.09 -1.22 -1.64 117.51 122.92 2pa4 h ILE 224 Ca -0.00 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 63.44 2pa4 h ILE 224 Cb 0.24 0.85 -0.01 0.00 0.47 0.00 0.00 36.82 38.37 2pa4 h ILE 224 CO 0.00 0.00 -0.03 -0.26 -3.07 0.00 0.00 178.15 174.80 2pa4 h PHE 225 N 0.00 0.53 -0.52 2.19 0.04 -1.68 0.12 116.94 117.62 2pa4 h PHE 225 Ca 0.10 -0.10 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 2pa4 h PHE 225 Cb 0.48 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 2pa4 h PHE 225 CO 0.00 0.66 -0.05 -0.44 -0.60 0.00 0.00 178.31 177.88 2pa4 h ASP 226 N 0.25 0.95 -0.42 2.17 5.19 -1.54 -2.71 116.42 120.31 2pa4 h ASP 226 Ca 0.07 -0.33 -0.04 0.00 -0.62 0.00 0.00 57.03 56.11 2pa4 h ASP 226 Cb 0.47 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.70 2pa4 h ASP 226 CO 0.02 1.06 0.14 0.00 -3.12 0.00 0.00 179.24 177.34 2pa4 h ALA 227 N 0.93 1.35 0.00 3.45 0.00 -1.12 -1.86 119.26 122.01 2pa4 h ALA 227 Ca 0.14 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2pa4 h ALA 227 Cb 0.60 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2pa4 h ALA 227 CO 0.04 0.47 -0.31 -0.07 0.00 0.00 0.00 179.25 179.38 2pa4 h LEU 228 N 0.70 0.00 0.00 0.00 3.38 -0.47 -1.79 115.31 117.12 2pa4 h LEU 228 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2pa4 h LEU 228 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2pa4 h LEU 228 CO -0.01 0.31 -0.01 0.54 0.09 0.00 0.00 178.44 179.36 2pa4 n ARG 229 N -3.99 0.20 0.04 1.13 1.74 -0.72 -3.52 116.66 111.53 2pa4 n ARG 229 Ca -0.02 0.16 0.08 0.00 -0.77 0.00 0.00 57.85 57.31 2pa4 n ARG 229 Cb 0.37 -1.73 -0.09 0.00 -1.02 0.00 0.00 32.46 29.99 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 -2.08 0.63 -1.87 5.56 1.74 -0.70 -4.97 116.66 114.97 2pa4 n ARG 230 Ca 0.06 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.85 2pa4 n ARG 230 Cb 0.41 -1.69 0.06 0.00 -1.02 0.00 0.00 32.46 30.22 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 -3.31 3.08 0.31 0.55 -4.36 -1.03 -5.10 121.20 111.34 2pa4 s ILE 231 Ca -0.04 0.35 0.08 0.00 -0.26 0.00 0.00 60.65 60.78 2pa4 s ILE 231 Cb 0.11 -3.34 -0.06 0.00 1.25 0.00 0.00 42.46 40.42 2pa4 s ILE 231 CO 0.84 -0.46 -0.08 0.42 0.24 0.00 0.00 174.94 175.90 2pa4 s THR 232 N -3.41 1.95 0.43 8.37 -4.23 -1.26 -5.04 115.64 112.45 2pa4 s THR 232 Ca 0.59 -2.17 -0.23 0.00 -1.18 0.00 0.00 61.69 58.69 2pa4 s THR 232 Cb -0.11 -2.53 -0.11 0.00 1.34 0.00 0.00 72.50 71.10 2pa4 s THR 232 CO 0.51 -0.26 0.91 -2.65 -0.54 0.00 0.00 174.62 172.59 2pa4 n PRO 233 N -0.68 1.15 0.00 3.99 -0.02 -1.26 -4.75 135.00 133.43 2pa4 n PRO 233 Ca -0.05 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2pa4 n PRO 233 Cb 0.63 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 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 1.32 2.62 0.22 -1.23 0.00 0.25 -4.87 105.19 103.50 2pa4 n GLY 234 Ca 0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.29 -1.79 4.61 0.00 -1.26 -1.60 120.51 117.18 2pa4 n ALA 235 Ca 0.00 0.46 -0.16 0.00 0.00 0.00 0.00 53.44 53.74 2pa4 n ALA 235 Cb 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.15 5.89 2.30 0.00 0.00 -1.26 -4.81 105.19 106.16 2pa4 n GLY 236 Ca 0.02 -2.15 -0.03 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.87 0.56 3.79 -0.02 0.00 -0.63 -4.99 105.19 103.03 2pa4 n GLY 237 Ca 0.39 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.41 2.83 -0.78 1.61 2.02 -1.26 -4.69 118.70 117.01 2pa4 s GLU 238 Ca 0.00 -1.08 -0.22 0.00 0.02 0.00 0.00 54.97 53.69 2pa4 s GLU 238 Cb 0.00 -2.52 0.08 0.00 0.10 0.00 0.00 34.13 31.79 2pa4 s GLU 238 CO 0.00 0.41 1.10 -0.51 0.02 0.00 0.00 175.26 176.28 2pa4 s LEU 239 N -3.71 4.31 -0.08 1.80 1.43 0.76 -0.58 118.68 122.62 2pa4 s LEU 239 Ca 0.32 -1.26 -0.30 0.00 -1.03 0.00 0.00 54.13 51.87 2pa4 s LEU 239 Cb -0.08 -2.45 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 2pa4 s LEU 239 CO 0.24 -1.40 1.00 -1.10 0.23 0.00 0.00 176.35 175.32 2pa4 s GLN 240 N 4.01 4.46 0.51 1.70 -1.52 -1.26 -0.43 119.66 127.14 2pa4 s GLN 240 Ca 0.29 1.40 0.21 0.00 -1.95 0.00 0.00 55.36 55.31 2pa4 s GLN 240 Cb -0.11 -3.52 1.34 0.00 -0.22 0.00 0.00 33.01 30.50 2pa4 s GLN 240 CO 0.03 -0.24 2.10 1.25 -0.25 0.00 0.00 175.29 178.19 2pa4 h LEU 241 N 7.67 0.00 0.14 2.90 5.85 -1.88 -1.97 115.31 128.01 2pa4 h LEU 241 Ca -0.34 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 2pa4 h LEU 241 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2pa4 h LEU 241 CO 0.83 0.09 -0.07 0.74 -0.34 0.00 0.00 178.44 179.68 2pa4 h THR 242 N 0.00 0.86 -0.86 1.05 2.02 -1.96 -2.22 112.91 111.80 2pa4 h THR 242 Ca -0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 2pa4 h THR 242 Cb 0.18 0.86 -0.09 0.00 -1.74 0.00 0.00 68.15 67.36 2pa4 h THR 242 CO 0.01 0.00 0.47 0.44 0.37 0.00 0.00 175.52 176.81 2pa4 h ASP 243 N -0.19 0.62 -0.44 4.18 3.32 -1.67 0.21 116.42 122.46 2pa4 h ASP 243 Ca -0.02 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 2pa4 h ASP 243 Cb 0.15 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2pa4 h ASP 243 CO 0.03 0.31 -0.10 0.00 -1.72 0.00 0.00 179.24 177.76 2pa4 h ALA 244 N 1.52 0.89 -0.29 3.45 0.00 -1.38 -1.70 119.26 121.75 2pa4 h ALA 244 Ca 0.45 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2pa4 h ALA 244 Cb 0.54 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2pa4 h ALA 244 CO -0.31 0.64 0.16 0.82 0.00 0.00 0.00 179.25 180.56 2pa4 h ILE 245 N 0.81 1.13 -0.73 0.00 2.04 -0.48 -1.47 117.51 118.80 2pa4 h ILE 245 Ca 0.13 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.68 2pa4 h ILE 245 Cb 0.62 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 2pa4 h ILE 245 CO 0.04 0.13 0.48 -0.78 0.00 0.00 0.00 178.15 178.02 2pa4 h ASP 246 N 0.35 0.82 -0.43 1.72 3.58 -0.50 -0.25 116.42 121.72 2pa4 h ASP 246 Ca 0.10 -0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.57 2pa4 h ASP 246 Cb 0.06 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 2pa4 h ASP 246 CO -0.02 0.59 0.22 0.25 -2.88 0.00 0.00 179.24 177.40 2pa4 h LEU 247 N 0.97 0.31 -1.43 2.28 5.85 -0.95 0.26 115.31 122.61 2pa4 h LEU 247 Ca 0.28 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 2pa4 h LEU 247 Cb -0.08 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2pa4 h LEU 247 CO -0.07 0.22 0.31 -0.07 -0.34 0.00 0.00 178.44 178.49 2pa4 h LEU 248 N 0.43 0.61 0.18 2.25 3.38 -0.61 -2.15 115.31 119.40 2pa4 h LEU 248 Ca 0.19 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2pa4 h LEU 248 Cb 0.09 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2pa4 h LEU 248 CO -0.13 0.47 -0.09 0.40 0.09 0.00 0.00 178.44 179.18 2pa4 h ILE 249 N 0.70 0.93 0.00 1.22 2.04 0.59 -1.72 117.51 121.27 2pa4 h ILE 249 Ca 0.19 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2pa4 h ILE 249 Cb -0.02 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2pa4 h ILE 249 CO -0.03 0.16 0.16 0.44 0.00 0.00 0.00 178.15 178.88 2pa4 h ASP 250 N -0.60 0.00 -0.36 1.72 5.19 -0.04 -0.69 116.42 121.64 2pa4 h ASP 250 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2pa4 h ASP 250 Cb 0.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.95 2pa4 h ASP 250 CO 0.04 0.00 0.00 -0.62 -3.12 0.00 0.00 179.24 175.54 2pa4 n GLU 251 N -2.28 2.96 -0.56 3.56 1.02 -0.86 -4.98 120.64 119.49 2pa4 n GLU 251 Ca -0.01 -2.37 0.00 0.00 -0.02 0.00 0.00 57.16 54.76 2pa4 n GLU 251 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 0.29 0.77 3.72 0.62 0.00 -0.27 -5.04 105.19 105.28 2pa4 n GLY 252 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.91 3.25 0.20 1.61 5.04 -0.66 -4.94 115.29 116.87 2pa4 s HIS 253 Ca 0.00 1.01 -0.30 0.00 -1.54 0.00 0.00 55.06 54.23 2pa4 s HIS 253 Cb 0.00 -3.67 -0.08 0.00 0.04 0.00 0.00 32.58 28.87 2pa4 s HIS 253 CO 0.00 -2.27 1.11 -1.25 -2.34 0.00 0.00 174.74 169.99 2pa4 s PRO 254 N 0.83 4.59 -0.04 2.88 0.04 -1.26 -4.49 135.00 137.55 2pa4 s PRO 254 Ca 0.63 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 63.41 2pa4 s PRO 254 Cb -0.37 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 30.94 2pa4 s PRO 254 CO 0.32 0.09 0.01 0.08 0.04 0.00 0.00 177.00 177.54 2pa4 s VAL 255 N -0.40 0.17 0.15 -0.36 1.01 -1.25 -0.26 120.40 119.46 2pa4 s VAL 255 Ca 0.49 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.73 2pa4 s VAL 255 Cb -0.30 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2pa4 s VAL 255 CO 0.36 0.19 -0.19 -1.00 0.00 0.00 0.00 175.10 174.46 2pa4 s HIS 256 N 1.56 1.84 -0.05 5.22 3.76 -0.55 -1.26 115.29 125.80 2pa4 s HIS 256 Ca -0.02 -0.45 0.04 0.00 -0.15 0.00 0.00 55.06 54.48 2pa4 s HIS 256 Cb -0.13 -0.93 -0.02 0.00 1.11 0.00 0.00 32.58 32.61 2pa4 s HIS 256 CO -0.03 0.31 -0.17 0.96 -0.85 0.00 0.00 174.74 174.96 2pa4 s ILE 257 N -1.86 2.77 -0.28 0.60 -4.36 -0.20 -1.36 121.20 116.51 2pa4 s ILE 257 Ca 0.14 -0.83 -0.11 0.00 -0.26 0.00 0.00 60.65 59.59 2pa4 s ILE 257 Cb -0.07 -2.06 -0.05 0.00 1.25 0.00 0.00 42.46 41.53 2pa4 s ILE 257 CO 0.06 0.58 0.20 -0.69 0.24 0.00 0.00 174.94 175.33 2pa4 s VAL 258 N -0.56 5.31 -0.23 8.37 1.01 -0.36 -1.57 120.40 132.36 2pa4 s VAL 258 Ca 0.08 0.15 -0.22 0.00 0.00 0.00 0.00 61.98 61.99 2pa4 s VAL 258 Cb -0.11 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 2pa4 s VAL 258 CO 0.01 0.23 0.70 -0.63 0.00 0.00 0.00 175.10 175.40 2pa4 s ILE 259 N 1.76 4.95 -0.18 2.22 1.01 0.16 -2.04 121.20 129.07 2pa4 s ILE 259 Ca 0.07 1.29 -0.24 0.00 0.00 0.00 0.00 60.65 61.78 2pa4 s ILE 259 Cb -0.16 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 2pa4 s ILE 259 CO 0.11 0.02 0.76 -2.28 0.00 0.00 0.00 174.94 173.55 2pa4 s HIS 260 N 2.44 3.40 -0.27 3.97 5.65 0.03 -4.89 115.29 125.63 2pa4 s HIS 260 Ca 0.30 1.13 0.22 0.00 0.25 0.00 0.00 55.06 56.96 2pa4 s HIS 260 Cb -0.16 -2.94 -0.28 0.00 -1.18 0.00 0.00 32.58 28.02 2pa4 s HIS 260 CO 0.09 -0.22 0.62 1.04 -0.65 0.00 0.00 174.74 175.62 2pa4 n GLN 261 N 5.18 0.50 0.00 2.88 1.13 -1.26 -4.59 117.38 121.21 2pa4 n GLN 261 Ca 0.02 -0.14 0.00 0.00 -1.94 0.00 0.00 57.00 54.95 2pa4 n GLN 261 Cb 0.49 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 29.31 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 1.31 -1.52 3.82 1.08 0.00 -1.26 -5.02 105.19 103.60 2pa4 n GLY 262 Ca -0.02 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 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 4.19 -0.06 1.61 2.47 -0.30 -4.93 119.74 122.72 2pa4 s LYS 263 Ca 0.00 0.80 -0.05 0.00 -1.56 0.00 0.00 55.97 55.16 2pa4 s LYS 263 Cb 0.00 -2.80 0.01 0.00 -1.46 0.00 0.00 37.83 33.58 2pa4 s LYS 263 CO 0.00 0.36 0.15 0.50 0.16 0.00 0.00 175.35 176.52 2pa4 s ARG 264 N -2.16 0.18 -0.05 4.03 3.00 -1.26 0.88 118.95 123.56 2pa4 s ARG 264 Ca 0.45 0.21 0.02 0.00 -1.00 0.00 0.00 55.73 55.41 2pa4 s ARG 264 Cb -0.15 0.09 0.01 0.00 0.00 0.00 0.00 34.95 34.90 2pa4 s ARG 264 CO 0.20 -0.02 -0.11 -1.01 0.00 0.00 0.00 175.30 174.36 2pa4 s HIS 265 N 0.08 1.27 -0.60 5.12 3.76 -0.35 -4.98 115.29 119.59 2pa4 s HIS 265 Ca -0.00 -0.43 -0.21 0.00 -0.15 0.00 0.00 55.06 54.27 2pa4 s HIS 265 Cb -0.01 -0.95 0.08 0.00 1.11 0.00 0.00 32.58 32.82 2pa4 s HIS 265 CO 0.00 -0.23 0.80 0.34 -0.85 0.00 0.00 174.74 174.80 2pa4 s ASP 266 N 0.60 6.19 0.00 1.40 2.15 -1.26 -1.03 116.67 124.72 2pa4 s ASP 266 Ca -0.12 -1.15 0.30 0.00 0.43 0.00 0.00 52.55 52.01 2pa4 s ASP 266 Cb -0.14 -2.35 1.57 0.00 -0.30 0.00 0.00 42.92 41.69 2pa4 s ASP 266 CO 0.03 -1.21 2.04 0.18 -0.17 0.00 0.00 175.17 176.04 2pa4 n LEU 267 N 6.87 0.43 0.00 -1.34 4.77 0.95 -2.72 117.00 125.97 2pa4 n LEU 267 Ca -0.07 -0.10 0.05 0.00 -0.03 0.00 0.00 56.01 55.87 2pa4 n LEU 267 Cb 0.44 -0.05 0.23 0.00 -2.33 0.00 0.00 43.42 41.71 2pa4 n LEU 267 CO 0.60 0.07 0.65 0.61 -1.33 0.00 0.00 177.39 178.00 2pa4 n GLY 268 N 1.11 -0.81 3.25 -0.72 0.00 -0.97 -4.48 105.19 102.57 2pa4 n GLY 268 Ca 0.21 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.92 -0.12 0.21 1.61 2.20 -1.26 -4.81 114.94 109.85 2pa4 s ASN 269 Ca 0.06 -0.22 -0.10 0.00 -0.94 0.00 0.00 52.86 51.66 2pa4 s ASN 269 Cb 0.07 0.36 0.30 0.00 -2.00 0.00 0.00 41.25 39.98 2pa4 s ASN 269 CO 0.18 -0.64 1.71 -0.65 -2.94 0.00 0.00 177.10 174.76 2pa4 h PRO 270 N 3.14 0.26 -0.07 3.55 0.11 -1.87 0.12 132.00 137.24 2pa4 h PRO 270 Ca -0.32 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.80 2pa4 h PRO 270 Cb 1.20 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2pa4 h PRO 270 CO 0.46 0.17 0.12 0.78 -0.21 0.00 0.00 178.00 179.33 2pa4 h GLY 271 N 0.27 0.00 0.06 -0.55 0.00 -1.98 -1.00 103.07 99.87 2pa4 h GLY 271 Ca 0.32 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 47.27 2pa4 h GLY 271 CO -0.40 0.00 -2.39 0.61 0.00 0.00 0.00 176.54 174.36 2pa4 n GLY 272 N -1.28 -0.72 0.15 4.60 0.00 -0.64 -4.38 105.19 102.92 2pa4 n GLY 272 Ca -0.01 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 0.50 -0.18 1.61 3.20 -0.23 -3.07 116.97 118.80 2pa4 h TYR 273 Ca -0.55 -0.15 0.05 0.00 3.14 0.00 0.00 58.73 61.23 2pa4 h TYR 273 Cb 2.09 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 40.19 2pa4 h TYR 273 CO 0.01 0.78 -0.21 0.82 -1.64 0.00 0.00 178.16 177.93 2pa4 h ILE 274 N 0.07 0.46 -0.01 1.81 2.04 -1.44 -0.98 117.51 119.46 2pa4 h ILE 274 Ca 0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 2pa4 h ILE 274 Cb 0.70 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2pa4 h ILE 274 CO 0.04 0.00 -0.19 -0.65 0.00 0.00 0.00 178.15 177.35 2pa4 h PRO 275 N -0.24 0.01 -0.60 2.37 0.11 -1.76 -1.47 132.00 130.42 2pa4 h PRO 275 Ca 0.12 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.14 2pa4 h PRO 275 Cb 0.42 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 2pa4 h PRO 275 CO -0.32 0.21 0.05 0.00 -0.21 0.00 0.00 178.00 177.72 2pa4 h ALA 276 N 1.79 0.96 -0.36 -0.75 0.00 -1.12 0.16 119.26 119.94 2pa4 h ALA 276 Ca 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2pa4 h ALA 276 Cb 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2pa4 h ALA 276 CO 0.03 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 179.90 2pa4 h VAL 278 N 0.45 0.98 -0.02 0.00 2.07 -0.92 0.45 116.25 119.27 2pa4 h VAL 278 Ca 0.10 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.63 2pa4 h VAL 278 Cb 0.48 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 2pa4 h VAL 278 CO 0.02 0.01 -0.26 -0.78 0.02 0.00 0.00 177.57 176.58 2pa4 h ASP 279 N 0.06 -0.77 0.25 0.57 -0.00 -0.58 -0.54 116.42 115.40 2pa4 h ASP 279 Ca 0.03 0.11 -0.14 0.00 -0.00 0.00 0.00 57.03 57.03 2pa4 h ASP 279 Cb 0.02 0.32 -0.01 0.00 -0.00 0.00 0.00 39.33 39.65 2pa4 h ASP 279 CO -0.03 -0.33 -0.53 -0.26 -0.00 0.00 0.00 179.24 178.09 2pa4 h PHE 280 N -0.39 0.38 -0.83 0.28 -1.00 -1.37 -3.22 116.94 110.79 2pa4 h PHE 280 Ca 0.07 -0.13 -0.03 0.00 2.81 0.00 0.00 57.97 60.69 2pa4 h PHE 280 Cb 0.48 -0.07 -0.04 0.00 3.61 0.00 0.00 35.95 39.93 2pa4 h PHE 280 CO -0.30 0.77 0.41 0.78 -1.61 0.00 0.00 178.31 178.36 2pa4 h GLY 281 N 1.32 1.28 1.83 -1.45 0.00 0.61 -2.74 103.07 103.92 2pa4 h GLY 281 Ca 0.01 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 46.63 2pa4 h GLY 281 CO 0.09 0.60 -0.26 1.41 0.00 0.00 0.00 176.54 178.37 2pa4 h LEU 282 N 1.18 0.20 -0.36 3.11 3.38 -1.13 -1.43 115.31 120.27 2pa4 h LEU 282 Ca 0.29 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2pa4 h LEU 282 Cb 0.11 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2pa4 h LEU 282 CO -0.04 0.47 -0.10 -1.20 0.09 0.00 0.00 178.44 177.66 2pa4 n SER 283 N -4.16 0.65 -4.69 -0.43 7.64 -1.08 -4.42 113.62 107.13 2pa4 n SER 283 Ca -0.01 -0.81 -0.42 0.00 1.01 0.00 0.00 58.87 58.64 2pa4 n SER 283 Cb 0.36 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.51 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 -2.35 2.64 0.57 1.43 5.04 -0.56 -4.88 115.29 117.19 2pa4 s HIS 284 Ca 0.32 0.59 0.26 0.00 -1.54 0.00 0.00 55.06 54.69 2pa4 s HIS 284 Cb 0.20 -3.80 1.63 0.00 0.04 0.00 0.00 32.58 30.66 2pa4 s HIS 284 CO 0.45 -3.09 2.17 -1.35 -2.34 0.00 0.00 174.74 170.57 2pa4 h PRO 285 N 8.09 0.00 0.01 2.88 0.11 -1.91 0.32 132.00 141.51 2pa4 h PRO 285 Ca -0.40 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.32 2pa4 h PRO 285 Cb 1.19 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 2pa4 h PRO 285 CO 0.92 0.00 -2.25 0.28 -0.21 0.00 0.00 178.00 176.74 2pa4 n VAL 286 N -4.00 1.55 0.02 3.15 0.31 -1.26 -4.71 118.33 113.39 2pa4 n VAL 286 Ca -0.01 -0.40 0.02 0.00 -0.01 0.00 0.00 64.34 63.94 2pa4 n VAL 286 Cb 0.20 -1.77 -0.09 0.00 -0.91 0.00 0.00 33.84 31.27 2pa4 n VAL 286 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2pa4 n TYR 287 N -3.94 0.71 -0.41 3.52 4.02 -1.11 -4.69 117.16 115.26 2pa4 n TYR 287 Ca -0.46 0.23 -0.09 0.00 -0.01 0.00 0.00 57.90 57.57 2pa4 n TYR 287 Cb 0.90 -0.97 -0.07 0.00 -0.02 0.00 0.00 39.34 39.18 2pa4 n TYR 287 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pa4 n GLY 288 N 1.38 -2.46 0.17 2.72 0.00 0.11 -1.38 105.19 105.73 2pa4 n GLY 288 Ca -0.10 1.17 -0.11 0.00 0.00 0.00 0.00 46.02 46.98 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 0.69 -0.11 -0.33 4.61 0.00 -1.83 -0.48 119.26 121.81 2pa4 h ALA 289 Ca 0.20 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2pa4 h ALA 289 Cb 0.45 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2pa4 h ALA 289 CO -0.94 -0.60 -0.20 1.96 0.00 0.00 0.00 179.25 179.46 2pa4 h GLN 290 N -0.19 0.61 -0.06 0.00 4.20 -1.82 -2.56 115.11 115.29 2pa4 h GLN 290 Ca 0.06 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 2pa4 h GLN 290 Cb 0.26 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 2pa4 h GLN 290 CO -0.15 0.77 0.01 1.25 -0.67 0.00 0.00 178.83 180.04 2pa4 h LEU 291 N 0.54 0.09 -0.18 1.46 5.85 -0.99 0.16 115.31 122.25 2pa4 h LEU 291 Ca 0.08 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.60 2pa4 h LEU 291 Cb 0.64 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 2pa4 h LEU 291 CO 0.05 0.33 -0.38 0.50 -0.34 0.00 0.00 178.44 178.59 2pa4 h LYS 292 N -0.15 -0.41 -0.20 1.25 3.64 -1.01 0.22 116.57 119.90 2pa4 h LYS 292 Ca 0.02 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2pa4 h LYS 292 Cb 0.27 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2pa4 h LYS 292 CO 0.00 -0.27 0.07 -0.44 -2.27 0.00 0.00 179.45 176.53 2pa4 h ASP 293 N -0.43 0.07 -0.21 4.20 3.32 -1.29 -1.68 116.42 120.41 2pa4 h ASP 293 Ca 0.10 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.21 2pa4 h ASP 293 Cb 0.59 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 2pa4 h ASP 293 CO -0.41 0.07 -0.04 0.00 -1.72 0.00 0.00 179.24 177.14 2pa4 h ALA 294 N 1.13 0.15 -0.60 3.45 0.00 0.19 -1.99 119.26 121.59 2pa4 h ALA 294 Ca 0.09 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2pa4 h ALA 294 Cb 0.06 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2pa4 h ALA 294 CO -0.09 -0.46 0.14 0.82 0.00 0.00 0.00 179.25 179.65 2pa4 h ILE 295 N 0.02 1.25 -0.73 0.00 2.04 -0.47 -1.00 117.51 118.61 2pa4 h ILE 295 Ca 0.10 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 65.04 2pa4 h ILE 295 Cb 0.15 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 2pa4 h ILE 295 CO -0.21 0.34 0.49 0.11 0.00 0.00 0.00 178.15 178.88 2pa4 h LYS 296 N 0.88 0.97 -0.31 2.37 1.57 -1.10 0.39 116.57 121.33 2pa4 h LYS 296 Ca 0.19 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 2pa4 h LYS 296 Cb 0.37 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 2pa4 h LYS 296 CO 0.00 0.64 -0.32 1.96 -0.57 0.00 0.00 179.45 181.17 2pa4 h GLN 297 N 1.00 0.77 -0.57 3.15 4.20 -1.09 -1.76 115.11 120.80 2pa4 h GLN 297 Ca 0.27 -0.41 0.02 0.00 0.06 0.00 0.00 58.65 58.59 2pa4 h GLN 297 Cb -0.11 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 2pa4 h GLN 297 CO -0.06 1.03 0.36 0.82 -0.67 0.00 0.00 178.83 180.32 2pa4 h ILE 298 N 0.53 1.10 -0.09 2.54 2.04 -0.60 0.14 117.51 123.18 2pa4 h ILE 298 Ca 0.05 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.69 2pa4 h ILE 298 Cb 0.90 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 2pa4 h ILE 298 CO 0.08 0.13 -0.12 -0.07 0.00 0.00 0.00 178.15 178.17 2pa4 h LEU 299 N 0.73 -0.36 -0.67 1.44 3.38 -0.15 -1.77 115.31 117.90 2pa4 h LEU 299 Ca 0.22 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.34 2pa4 h LEU 299 Cb -0.03 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 2pa4 h LEU 299 CO -0.07 -0.16 0.34 0.00 0.09 0.00 0.00 178.44 178.64 2pa4 h ALA 300 N 0.89 0.91 -0.78 1.53 0.00 -0.48 0.02 119.26 121.35 2pa4 h ALA 300 Ca 0.07 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2pa4 h ALA 300 Cb 0.26 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2pa4 h ALA 300 CO -0.18 -0.04 0.52 0.93 0.00 0.00 0.00 179.25 180.48 2pa4 h GLU 301 N 0.60 0.98 0.08 0.00 5.08 -0.30 -1.37 114.58 119.65 2pa4 h GLU 301 Ca 0.32 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2pa4 h GLU 301 Cb 0.30 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2pa4 h GLU 301 CO -0.24 0.65 -0.04 0.45 -1.00 0.00 0.00 179.01 178.83 2pa4 h HIS 302 N 1.01 -0.10 -0.40 4.33 3.86 -0.29 -0.94 115.15 122.62 2pa4 h HIS 302 Ca 0.30 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.58 2pa4 h HIS 302 Cb -0.04 0.03 -0.09 0.00 1.06 0.00 0.00 27.41 28.38 2pa4 h HIS 302 CO -0.00 0.33 -0.42 0.93 0.86 0.00 0.00 177.93 179.63 2pa4 h GLU 303 N -0.57 -0.31 -0.69 2.45 5.08 -0.74 0.12 114.58 119.92 2pa4 h GLU 303 Ca -0.01 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.48 2pa4 h GLU 303 Cb 0.48 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.72 2pa4 h GLU 303 CO 0.02 -0.21 0.28 0.00 -1.00 0.00 0.00 179.01 178.10 2pa4 h ALA 304 N 0.46 0.93 -0.47 3.43 0.00 -1.25 -2.09 119.26 120.28 2pa4 h ALA 304 Ca 0.14 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2pa4 h ALA 304 Cb 0.58 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2pa4 h ALA 304 CO -0.57 -0.17 0.21 0.00 0.00 0.00 0.00 179.25 178.72 2pa4 h ALA 305 N 1.48 1.50 0.03 0.00 0.00 0.42 0.47 119.26 123.16 2pa4 h ALA 305 Ca 0.36 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2pa4 h ALA 305 Cb 0.48 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2pa4 h ALA 305 CO -0.34 0.40 -0.02 0.93 0.00 0.00 0.00 179.25 180.22 2pa4 h GLU 306 N 0.66 -0.04 0.52 0.00 5.08 -0.49 -3.31 114.58 116.99 2pa4 h GLU 306 Ca 0.16 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2pa4 h GLU 306 Cb 0.09 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2pa4 h GLU 306 CO -0.02 0.40 -0.25 0.00 -1.00 0.00 0.00 179.01 178.14 2pa4 h ARG 307 N -0.49 -0.67 0.00 2.33 3.08 -1.40 -3.52 114.38 113.71 2pa4 h ARG 307 Ca -0.00 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2pa4 h ARG 307 Cb 0.46 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2pa4 h ARG 307 CO 0.01 -0.45 0.00 -0.89 -1.07 0.00 0.00 179.97 177.57