#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wa4 n PRO 16 N 0.00 0.00 -3.85 3.44 -0.02 -1.26 -4.98 135.00 128.32 2wa4 n PRO 16 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 2wa4 n PRO 16 Cb 0.00 -0.99 -0.07 0.00 -0.02 0.00 0.00 33.50 32.42 2wa4 n PRO 16 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2wa4 s ARG 17 N -0.99 3.74 -0.47 -0.52 0.52 -1.26 -4.87 118.95 115.09 2wa4 s ARG 17 Ca 0.59 -0.19 -0.28 0.00 -0.52 0.00 0.00 55.73 55.34 2wa4 s ARG 17 Cb -0.68 -3.26 0.03 0.00 0.52 0.00 0.00 34.95 31.56 2wa4 s ARG 17 CO 0.61 0.57 1.07 -1.21 0.02 0.00 0.00 175.30 176.36 2wa4 s GLU 18 N -0.42 3.67 0.64 3.54 0.41 -1.26 -0.13 118.70 125.15 2wa4 s GLU 18 Ca 0.12 0.45 -0.16 0.00 -0.41 0.00 0.00 54.97 54.97 2wa4 s GLU 18 Cb -0.12 -3.91 -0.01 0.00 -1.78 0.00 0.00 34.13 28.32 2wa4 s GLU 18 CO 0.01 -1.32 1.12 -1.21 -0.49 0.00 0.00 175.26 173.37 2wa4 s GLU 19 N 4.21 2.86 0.87 1.61 2.02 -1.19 -4.97 118.70 124.12 2wa4 s GLU 19 Ca 0.44 1.45 -0.10 0.00 0.02 0.00 0.00 54.97 56.78 2wa4 s GLU 19 Cb -0.08 -1.95 0.12 0.00 0.10 0.00 0.00 34.13 32.31 2wa4 s GLU 19 CO 0.30 -1.21 1.12 0.00 0.02 0.00 0.00 175.26 175.49 2wa4 s ALA 20 N -2.22 1.68 -1.03 5.21 0.00 -1.26 -3.74 121.76 120.40 2wa4 s ALA 20 Ca 0.68 0.44 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2wa4 s ALA 20 Cb -0.22 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2wa4 s ALA 20 CO 0.39 -2.45 0.00 0.41 0.00 0.00 0.00 175.76 174.11 2wa4 n GLY 21 N -0.30 0.09 2.49 0.00 0.00 -1.26 -3.92 105.19 102.28 2wa4 n GLY 21 Ca 0.10 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 2wa4 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wa4 n ALA 22 N -1.17 -0.46 1.84 4.61 0.00 -1.25 -4.88 120.51 119.21 2wa4 n ALA 22 Ca -0.14 0.24 0.09 0.00 0.00 0.00 0.00 53.44 53.63 2wa4 n ALA 22 Cb 0.57 -2.09 0.46 0.00 0.00 0.00 0.00 19.45 18.40 2wa4 n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wa4 n LEU 23 N -2.63 0.32 0.00 0.00 4.77 -1.25 -5.00 117.00 113.22 2wa4 n LEU 23 Ca -0.22 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2wa4 n LEU 23 Cb 0.68 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2wa4 n LEU 23 CO 0.29 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2wa4 n GLY 24 N 0.83 0.32 3.71 -0.72 0.00 -1.26 -4.96 105.19 103.11 2wa4 n GLY 24 Ca 0.13 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 2wa4 n GLY 24 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wa4 n PRO 25 N 0.29 1.78 -0.22 1.61 -0.02 -1.26 -3.17 135.00 134.01 2wa4 n PRO 25 Ca 0.00 0.64 -0.07 0.00 -2.02 0.00 0.00 63.50 62.05 2wa4 n PRO 25 Cb 0.00 -2.44 0.03 0.00 -0.02 0.00 0.00 33.50 31.08 2wa4 n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wa4 h ALA 26 N 1.75 0.81 -2.78 3.55 0.00 -0.87 -3.46 119.26 118.25 2wa4 h ALA 26 Ca -0.49 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.10 2wa4 h ALA 26 Cb 1.30 -0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 2wa4 h ALA 26 CO 0.58 0.42 -0.28 1.67 0.00 0.00 0.00 179.25 181.65 2wa4 s TRP 27 N -5.58 0.73 0.14 0.00 1.48 -1.26 -5.02 118.94 109.43 2wa4 s TRP 27 Ca -0.13 -1.02 0.05 0.00 -1.06 0.00 0.00 56.10 53.94 2wa4 s TRP 27 Cb 0.13 -0.08 -0.04 0.00 -1.16 0.00 0.00 33.47 32.32 2wa4 s TRP 27 CO 0.80 -0.92 -0.11 0.16 -4.06 0.00 0.00 176.95 172.82 2wa4 s ASP 28 N -3.10 1.86 0.58 -2.66 1.47 -1.26 -4.59 116.67 108.96 2wa4 s ASP 28 Ca 0.29 -0.95 0.38 0.00 1.18 0.00 0.00 52.55 53.45 2wa4 s ASP 28 Cb 0.02 -0.03 1.87 0.00 -0.34 0.00 0.00 42.92 44.43 2wa4 s ASP 28 CO 0.12 -0.27 2.14 -0.33 0.68 0.00 0.00 175.17 177.51 2wa4 h GLU 29 N 3.00 0.00 0.00 2.11 5.08 -2.01 -0.49 114.58 122.26 2wa4 h GLU 29 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2wa4 h GLU 29 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2wa4 h GLU 29 CO 0.60 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.48 2wa4 n SER 30 N -2.98 0.49 -1.66 1.42 3.41 -1.26 -1.90 113.62 111.14 2wa4 n SER 30 Ca -0.01 0.71 0.09 0.00 -0.26 0.00 0.00 58.87 59.39 2wa4 n SER 30 Cb 0.17 -0.78 0.37 0.00 -0.26 0.00 0.00 64.21 63.71 2wa4 n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wa4 n GLN 31 N -2.14 4.00 -4.49 4.33 6.02 -0.19 -4.89 117.38 120.02 2wa4 n GLN 31 Ca -0.01 -2.89 -0.32 0.00 -0.01 0.00 0.00 57.00 53.77 2wa4 n GLN 31 Cb 0.06 -1.99 -0.11 0.00 1.02 0.00 0.00 30.24 29.22 2wa4 n GLN 31 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wa4 s LEU 32 N -2.04 3.05 0.47 1.08 1.43 -0.80 -1.83 118.68 120.04 2wa4 s LEU 32 Ca 0.51 -0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 53.33 2wa4 s LEU 32 Cb 0.35 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 2wa4 s LEU 32 CO 0.22 0.27 0.79 -0.13 0.23 0.00 0.00 176.35 177.73 2wa4 s ARG 33 N -1.47 3.60 0.00 1.70 0.52 -1.26 -5.03 118.95 117.01 2wa4 s ARG 33 Ca 0.17 0.29 -0.04 0.00 -0.52 0.00 0.00 55.73 55.63 2wa4 s ARG 33 Cb -0.11 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 2wa4 s ARG 33 CO 0.08 -0.18 0.21 -1.12 0.02 0.00 0.00 175.30 174.31 2wa4 s SER 34 N -3.88 6.41 0.19 0.23 0.01 -1.26 -5.10 113.70 110.29 2wa4 s SER 34 Ca 0.49 0.41 -0.06 0.00 1.31 0.00 0.00 55.95 58.10 2wa4 s SER 34 Cb -0.10 -2.03 -0.02 0.00 0.21 0.00 0.00 66.02 64.08 2wa4 s SER 34 CO 0.42 0.25 0.23 -0.31 0.41 0.00 0.00 173.24 174.25 2wa4 s TYR 35 N -1.33 0.72 -1.29 2.43 2.02 -1.26 -4.93 117.35 113.71 2wa4 s TYR 35 Ca 0.28 -1.04 0.27 0.00 -0.37 0.00 0.00 57.07 56.21 2wa4 s TYR 35 Cb -0.13 -0.24 0.97 0.00 -0.40 0.00 0.00 41.96 42.16 2wa4 s TYR 35 CO 0.18 -0.72 1.72 -1.13 -1.57 0.00 0.00 175.55 174.04 2wa4 n SER 36 N -0.25 0.40 -4.45 2.29 3.41 -1.26 -4.90 113.62 108.86 2wa4 n SER 36 Ca -0.03 -0.22 -0.27 0.00 -0.26 0.00 0.00 58.87 58.09 2wa4 n SER 36 Cb 0.64 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.41 2wa4 n SER 36 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2wa4 s PHE 37 N -2.77 2.38 0.52 7.33 -0.12 -1.26 -5.08 117.98 118.98 2wa4 s PHE 37 Ca 0.19 -0.33 -0.18 0.00 -0.05 0.00 0.00 56.93 56.56 2wa4 s PHE 37 Cb 0.19 -1.18 -0.07 0.00 -0.63 0.00 0.00 43.02 41.33 2wa4 s PHE 37 CO 0.56 0.49 1.03 -1.25 -0.05 0.00 0.00 175.22 176.00 2wa4 s PRO 38 N -2.66 3.69 0.05 1.99 0.04 -1.26 -4.95 135.00 131.90 2wa4 s PRO 38 Ca 0.21 1.22 -0.00 0.00 0.04 0.00 0.00 61.00 62.46 2wa4 s PRO 38 Cb -0.08 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2wa4 s PRO 38 CO 0.11 -0.50 -0.04 0.95 0.04 0.00 0.00 177.00 177.56 2wa4 s THR 39 N -2.28 0.29 0.15 1.26 -4.23 -1.26 -2.23 115.64 107.34 2wa4 s THR 39 Ca 0.64 -1.73 0.05 0.00 -1.18 0.00 0.00 61.69 59.47 2wa4 s THR 39 Cb -0.14 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 2wa4 s THR 39 CO 0.27 -0.92 -0.11 -0.13 -0.54 0.00 0.00 174.62 173.19 2wa4 s ARG 40 N -3.64 1.09 0.37 3.99 1.81 -0.74 -4.96 118.95 116.87 2wa4 s ARG 40 Ca 0.05 -1.45 -0.21 0.00 -1.72 0.00 0.00 55.73 52.40 2wa4 s ARG 40 Cb 0.06 -0.70 -0.10 0.00 -0.45 0.00 0.00 34.95 33.76 2wa4 s ARG 40 CO -0.08 0.09 0.90 -1.25 -0.68 0.00 0.00 175.30 174.28 2wa4 s PRO 41 N -3.66 4.29 0.15 3.54 0.05 -1.26 -0.57 135.00 137.53 2wa4 s PRO 41 Ca 0.17 1.09 -0.29 0.00 0.05 0.00 0.00 61.00 62.02 2wa4 s PRO 41 Cb 0.02 -2.44 -0.07 0.00 0.05 0.00 0.00 34.50 32.06 2wa4 s PRO 41 CO 0.01 0.11 0.91 0.42 0.05 0.00 0.00 177.00 178.51 2wa4 s ILE 42 N -1.95 4.39 0.22 0.56 1.01 -0.58 -4.72 121.20 120.13 2wa4 s ILE 42 Ca 0.56 1.98 -0.31 0.00 0.00 0.00 0.00 60.65 62.89 2wa4 s ILE 42 Cb -0.12 -4.28 -0.10 0.00 0.01 0.00 0.00 42.46 37.96 2wa4 s ILE 42 CO 0.17 0.40 1.54 -2.84 0.00 0.00 0.00 174.94 174.21 2wa4 s PRO 43 N -0.49 4.21 -0.18 2.79 0.02 -1.26 -4.80 135.00 135.29 2wa4 s PRO 43 Ca 0.43 2.40 -0.13 0.00 0.02 0.00 0.00 61.00 63.72 2wa4 s PRO 43 Cb -0.24 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 31.13 2wa4 s PRO 43 CO 0.29 -0.55 0.28 1.03 -0.33 0.00 0.00 177.00 177.72 2wa4 s ARG 44 N 0.25 4.22 0.23 5.54 0.52 -1.26 -0.81 118.95 127.64 2wa4 s ARG 44 Ca 0.65 0.03 -0.06 0.00 -0.52 0.00 0.00 55.73 55.84 2wa4 s ARG 44 Cb -0.44 -3.46 -0.02 0.00 0.52 0.00 0.00 34.95 31.55 2wa4 s ARG 44 CO 0.39 0.18 0.29 -0.51 0.02 0.00 0.00 175.30 175.67 2wa4 s LEU 45 N 0.67 0.82 0.05 2.53 1.43 0.36 -4.96 118.68 119.58 2wa4 s LEU 45 Ca 0.15 -1.22 -0.26 0.00 -1.03 0.00 0.00 54.13 51.77 2wa4 s LEU 45 Cb -0.13 0.99 -0.05 0.00 0.03 0.00 0.00 46.19 47.03 2wa4 s LEU 45 CO 0.04 -0.99 0.83 -0.55 0.23 0.00 0.00 176.35 175.91 2wa4 s SER 46 N -3.11 7.28 0.33 2.29 0.15 -1.26 -0.99 113.70 118.39 2wa4 s SER 46 Ca 0.32 1.53 0.29 0.00 0.70 0.00 0.00 55.95 58.79 2wa4 s SER 46 Cb 0.03 -2.50 1.07 0.00 -1.71 0.00 0.00 66.02 62.91 2wa4 s SER 46 CO 0.12 -0.04 1.01 1.67 1.20 0.00 0.00 173.24 177.20 2wa4 n GLN 47 N 2.97 -0.01 0.00 5.44 0.00 -1.26 -0.26 117.38 124.25 2wa4 n GLN 47 Ca -0.00 0.74 0.11 0.00 -0.00 0.00 0.00 57.00 57.85 2wa4 n GLN 47 Cb 0.50 -1.62 0.09 0.00 0.00 0.00 0.00 30.24 29.22 2wa4 n GLN 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2wa4 n SER 48 N -3.51 0.92 -4.68 1.69 3.41 -1.26 -4.86 113.62 105.34 2wa4 n SER 48 Ca 0.28 -0.75 -0.42 0.00 -0.26 0.00 0.00 58.87 57.71 2wa4 n SER 48 Cb 1.21 0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 65.69 2wa4 n SER 48 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wa4 s ASP 49 N -2.89 6.80 0.51 4.04 -1.08 0.64 -4.91 116.67 119.78 2wa4 s ASP 49 Ca 0.12 2.12 0.16 0.00 -0.52 0.00 0.00 52.55 54.43 2wa4 s ASP 49 Cb 0.17 -2.55 1.24 0.00 -1.46 0.00 0.00 42.92 40.32 2wa4 s ASP 49 CO 0.73 -0.79 2.13 -0.65 0.52 0.00 0.00 175.17 177.11 2wa4 h PRO 50 N 8.33 0.05 -0.03 4.34 0.11 -1.90 0.18 132.00 143.08 2wa4 h PRO 50 Ca -0.37 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.74 2wa4 h PRO 50 Cb 1.17 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2wa4 h PRO 50 CO 0.93 0.03 0.02 0.00 -0.21 0.00 0.00 178.00 178.77 2wa4 h ARG 51 N 0.05 0.00 0.13 1.05 3.08 -1.94 -1.27 114.38 115.48 2wa4 h ARG 51 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2wa4 h ARG 51 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2wa4 h ARG 51 CO -0.00 0.00 -0.06 0.00 -1.07 0.00 0.00 179.97 178.84 2wa4 h ALA 52 N 1.99 -0.17 0.00 0.04 0.00 -0.91 -1.89 119.26 118.32 2wa4 h ALA 52 Ca 0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2wa4 h ALA 52 Cb 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2wa4 h ALA 52 CO -0.00 -0.48 -0.17 0.93 0.00 0.00 0.00 179.25 179.53 2wa4 h GLU 53 N -0.40 0.00 -0.01 0.00 4.39 -1.42 -1.65 114.58 115.50 2wa4 h GLU 53 Ca -0.02 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.49 2wa4 h GLU 53 Cb 0.32 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2wa4 h GLU 53 CO 0.03 0.17 -0.84 1.49 -1.16 0.00 0.00 179.01 178.70 2wa4 h GLU 54 N 0.00 0.19 0.11 2.33 4.81 -1.09 -2.77 114.58 118.16 2wa4 h GLU 54 Ca -0.00 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 2wa4 h GLU 54 Cb 0.47 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2wa4 h GLU 54 CO 0.02 0.92 -0.05 -0.07 -0.73 0.00 0.00 179.01 179.11 2wa4 h LEU 55 N 0.11 -0.12 -0.99 1.64 3.38 -0.48 -2.94 115.31 115.91 2wa4 h LEU 55 Ca -0.04 -0.42 0.12 0.00 0.09 0.00 0.00 57.88 57.64 2wa4 h LEU 55 Cb 1.46 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 42.15 2wa4 h LEU 55 CO 0.13 0.40 0.61 0.40 0.09 0.00 0.00 178.44 180.07 2wa4 h ILE 56 N -0.69 0.90 -0.52 1.22 2.04 -1.52 -0.87 117.51 118.07 2wa4 h ILE 56 Ca -0.01 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 2wa4 h ILE 56 Cb 0.53 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 2wa4 h ILE 56 CO 0.02 0.17 0.05 -0.08 0.00 0.00 0.00 178.15 178.32 2wa4 h GLU 57 N 0.95 0.83 -0.57 2.37 4.57 -1.54 0.24 114.58 121.44 2wa4 h GLU 57 Ca 0.50 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 2wa4 h GLU 57 Cb 0.52 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2wa4 h GLU 57 CO -0.28 0.80 0.00 0.09 -1.18 0.00 0.00 179.01 178.44 2wa4 n ASN 58 N -4.23 2.70 -3.72 1.04 3.02 -0.87 -4.96 115.26 108.24 2wa4 n ASN 58 Ca 0.03 -2.22 -0.22 0.00 -0.03 0.00 0.00 54.58 52.14 2wa4 n ASN 58 Cb 0.28 -0.41 0.03 0.00 -0.61 0.00 0.00 39.78 39.06 2wa4 n ASN 58 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2wa4 n GLU 59 N 0.49 -4.44 -4.52 3.52 1.02 0.85 -4.98 120.64 112.59 2wa4 n GLU 59 Ca 0.14 0.59 -0.26 0.00 -0.02 0.00 0.00 57.16 57.61 2wa4 n GLU 59 Cb 0.52 -5.06 -0.13 0.00 -0.02 0.00 0.00 31.44 26.74 2wa4 n GLU 59 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2wa4 s GLU 60 N -6.00 1.35 0.54 3.49 2.02 -0.41 -4.85 118.70 114.84 2wa4 s GLU 60 Ca 0.04 -1.09 -0.20 0.00 0.02 0.00 0.00 54.97 53.74 2wa4 s GLU 60 Cb -0.01 -1.58 -0.06 0.00 0.10 0.00 0.00 34.13 32.58 2wa4 s GLU 60 CO 0.82 0.39 1.15 -1.25 0.02 0.00 0.00 175.26 176.39 2wa4 s PRO 61 N -1.55 3.35 -0.04 0.39 0.04 -1.26 -3.85 135.00 132.07 2wa4 s PRO 61 Ca 0.09 1.69 -0.17 0.00 0.04 0.00 0.00 61.00 62.64 2wa4 s PRO 61 Cb -0.10 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.42 2wa4 s PRO 61 CO 0.03 -0.87 0.38 0.54 0.04 0.00 0.00 177.00 177.12 2wa4 s VAL 62 N -1.70 0.04 -0.24 -0.36 0.11 -1.24 -4.66 120.40 112.35 2wa4 s VAL 62 Ca 0.72 -0.32 -0.12 0.00 -2.93 0.00 0.00 61.98 59.34 2wa4 s VAL 62 Cb -0.26 -0.66 -0.05 0.00 -1.53 0.00 0.00 36.38 33.88 2wa4 s VAL 62 CO 0.29 -0.18 0.21 -0.69 -3.33 0.00 0.00 175.10 171.40 2wa4 s VAL 63 N -1.04 5.32 -0.21 2.04 1.01 0.01 -2.00 120.40 125.54 2wa4 s VAL 63 Ca -0.11 0.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 2wa4 s VAL 63 Cb -0.04 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 2wa4 s VAL 63 CO 0.04 0.32 0.17 -0.76 0.00 0.00 0.00 175.10 174.87 2wa4 s LEU 64 N 1.20 4.18 0.00 3.92 1.43 0.03 -0.49 118.68 128.95 2wa4 s LEU 64 Ca 0.09 0.23 0.22 0.00 -1.03 0.00 0.00 54.13 53.64 2wa4 s LEU 64 Cb -0.14 -2.15 -0.11 0.00 0.03 0.00 0.00 46.19 43.82 2wa4 s LEU 64 CO 0.06 0.12 0.99 0.35 0.23 0.00 0.00 176.35 178.09 2wa4 n THR 65 N 3.85 0.00 -2.77 5.49 -2.24 -0.16 -1.64 114.28 116.81 2wa4 n THR 65 Ca -0.15 -0.01 -0.02 0.00 -2.27 0.00 0.00 64.05 61.60 2wa4 n THR 65 Cb 0.52 0.90 0.07 0.00 -2.10 0.00 0.00 70.33 69.72 2wa4 n THR 65 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2wa4 n ASP 66 N -1.43 0.53 0.17 3.42 5.75 -1.26 -4.65 116.55 119.08 2wa4 n ASP 66 Ca 0.04 -2.16 0.06 0.00 -0.01 0.00 0.00 54.79 52.73 2wa4 n ASP 66 Cb 0.34 -0.08 0.17 0.00 -1.03 0.00 0.00 41.12 40.51 2wa4 n ASP 66 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2wa4 h THR 67 N 4.77 0.66 -2.72 2.12 1.35 -1.82 -3.44 112.91 113.83 2wa4 h THR 67 Ca -0.23 -1.75 -0.39 0.00 -0.55 0.00 0.00 66.41 63.49 2wa4 h THR 67 Cb 1.27 2.18 -0.05 0.00 -1.73 0.00 0.00 68.15 69.83 2wa4 h THR 67 CO 0.09 0.35 -0.47 0.59 -0.25 0.00 0.00 175.52 175.83 2wa4 n ASN 68 N -3.26 -5.50 -0.23 5.36 3.02 -1.26 -4.89 115.26 108.50 2wa4 n ASN 68 Ca 0.02 0.11 -0.03 0.00 -0.03 0.00 0.00 54.58 54.65 2wa4 n ASN 68 Cb 0.62 -4.65 0.08 0.00 -0.61 0.00 0.00 39.78 35.23 2wa4 n ASN 68 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2wa4 h LEU 69 N 0.00 0.63 -3.31 3.41 5.85 -1.91 -3.02 115.31 116.95 2wa4 h LEU 69 Ca -0.45 0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.08 2wa4 h LEU 69 Cb 1.33 -0.12 -0.13 0.00 0.37 0.00 0.00 40.66 42.11 2wa4 h LEU 69 CO 0.55 0.42 -0.34 1.33 -0.34 0.00 0.00 178.44 180.07 2wa4 n VAL 70 N -4.73 2.47 -0.17 1.05 0.24 -1.26 -0.95 118.33 114.97 2wa4 n VAL 70 Ca 0.07 -3.22 -0.04 0.00 -2.04 0.00 0.00 64.34 59.11 2wa4 n VAL 70 Cb 0.12 -0.47 0.02 0.00 -1.47 0.00 0.00 33.84 32.04 2wa4 n VAL 70 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 2wa4 h TYR 71 N 1.25 -0.69 0.00 6.34 3.20 -1.81 0.19 116.97 125.44 2wa4 h TYR 71 Ca 0.18 0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.11 2wa4 h TYR 71 Cb 1.36 0.38 0.00 0.00 1.54 0.00 0.00 36.73 40.01 2wa4 h TYR 71 CO 0.92 -0.34 0.00 -2.30 -1.64 0.00 0.00 178.16 174.80 2wa4 n PRO 72 N -5.42 0.14 0.00 1.82 -0.02 -1.26 -1.97 135.00 128.28 2wa4 n PRO 72 Ca 0.04 0.16 0.14 0.00 -2.02 0.00 0.00 63.50 61.81 2wa4 n PRO 72 Cb 0.34 -1.50 0.49 0.00 -0.02 0.00 0.00 33.50 32.80 2wa4 n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wa4 n ALA 73 N -1.39 2.88 0.05 3.55 0.00 0.66 -4.03 120.51 122.24 2wa4 n ALA 73 Ca 0.06 -0.37 -0.00 0.00 0.00 0.00 0.00 53.44 53.14 2wa4 n ALA 73 Cb 0.17 -1.21 0.30 0.00 0.00 0.00 0.00 19.45 18.72 2wa4 n ALA 73 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wa4 h LEU 74 N 1.21 0.38 0.00 0.00 3.38 -1.41 -0.46 115.31 118.40 2wa4 h LEU 74 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2wa4 h LEU 74 Cb 0.45 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2wa4 h LEU 74 CO 0.00 0.54 0.00 2.29 0.09 0.00 0.00 178.44 181.36 2wa4 n LYS 75 N -4.22 0.03 -1.98 1.13 2.85 -1.26 -4.82 118.16 109.89 2wa4 n LYS 75 Ca 0.00 0.32 -0.42 0.00 -1.05 0.00 0.00 58.31 57.16 2wa4 n LYS 75 Cb 0.31 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.16 2wa4 n LYS 75 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2wa4 s TRP 76 N -2.91 2.94 0.19 5.58 0.51 -0.19 -4.90 118.94 120.16 2wa4 s TRP 76 Ca 0.05 0.62 0.04 0.00 -2.12 0.00 0.00 56.10 54.68 2wa4 s TRP 76 Cb 0.05 -3.88 -0.01 0.00 -0.81 0.00 0.00 33.47 28.82 2wa4 s TRP 76 CO 0.15 -3.31 0.17 -0.40 -0.51 0.00 0.00 176.95 173.04 2wa4 n ASP 77 N 4.40 -0.43 -0.09 2.95 5.68 -1.26 -4.89 116.55 122.91 2wa4 n ASP 77 Ca 0.14 -2.20 -0.07 0.00 -0.50 0.00 0.00 54.79 52.16 2wa4 n ASP 77 Cb 0.40 0.98 0.00 0.00 -1.14 0.00 0.00 41.12 41.36 2wa4 n ASP 77 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2wa4 h LEU 78 N 0.00 0.08 0.60 -2.12 3.38 -1.99 -1.40 115.31 113.86 2wa4 h LEU 78 Ca -0.13 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2wa4 h LEU 78 Cb 0.67 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2wa4 h LEU 78 CO 0.19 0.08 -0.47 -0.08 0.09 0.00 0.00 178.44 178.25 2wa4 h GLU 79 N 0.22 -1.00 -1.01 1.13 4.81 -1.98 0.60 114.58 117.36 2wa4 h GLU 79 Ca 0.14 0.07 0.28 0.00 -0.13 0.00 0.00 59.36 59.72 2wa4 h GLU 79 Cb 0.13 0.23 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 2wa4 h GLU 79 CO -0.16 -0.67 0.70 -0.92 -0.73 0.00 0.00 179.01 177.23 2wa4 h TYR 80 N -1.04 0.20 0.21 0.92 3.20 -1.88 -0.20 116.97 118.38 2wa4 h TYR 80 Ca -0.08 0.01 -0.31 0.00 3.14 0.00 0.00 58.73 61.49 2wa4 h TYR 80 Cb 0.86 -0.06 0.02 0.00 1.54 0.00 0.00 36.73 39.10 2wa4 h TYR 80 CO -0.18 0.03 -1.43 -0.07 -1.64 0.00 0.00 178.16 174.87 2wa4 h LEU 81 N 0.13 0.68 -0.00 2.82 3.38 -0.57 -2.90 115.31 118.85 2wa4 h LEU 81 Ca 0.51 -0.92 0.01 0.00 0.09 0.00 0.00 57.88 57.56 2wa4 h LEU 81 Cb 1.76 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 2wa4 h LEU 81 CO -0.09 1.67 -0.05 -0.61 0.09 0.00 0.00 178.44 179.45 2wa4 h GLN 82 N 0.00 -0.09 -0.03 1.13 4.15 -0.04 0.61 115.11 120.84 2wa4 h GLN 82 Ca -0.27 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.17 2wa4 h GLN 82 Cb 2.02 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 29.73 2wa4 h GLN 82 CO 0.21 -0.06 0.03 1.49 -1.93 0.00 0.00 178.83 178.57 2wa4 h GLU 83 N -0.09 0.00 0.00 1.69 4.57 -1.18 -3.35 114.58 116.22 2wa4 h GLU 83 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2wa4 h GLU 83 Cb 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2wa4 h GLU 83 CO -0.06 0.00 -0.10 0.09 -1.18 0.00 0.00 179.01 177.76 2wa4 n ASN 84 N -4.17 0.51 0.11 1.04 4.13 -0.82 -4.84 115.26 111.22 2wa4 n ASN 84 Ca -0.02 -0.28 0.13 0.00 1.68 0.00 0.00 54.58 56.09 2wa4 n ASN 84 Cb 0.12 0.65 0.29 0.00 -1.54 0.00 0.00 39.78 39.30 2wa4 n ASN 84 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 2wa4 h ILE 85 N 0.00 0.00 0.00 2.41 2.10 0.07 -3.37 117.51 118.72 2wa4 h ILE 85 Ca 0.00 -0.58 0.00 0.00 1.08 0.00 0.00 64.86 65.36 2wa4 h ILE 85 Cb 0.00 1.44 0.00 0.00 -1.09 0.00 0.00 36.82 37.17 2wa4 h ILE 85 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.68 2wa4 n GLY 86 N 1.28 -1.86 1.73 8.18 0.00 -1.26 -1.08 105.19 112.18 2wa4 n GLY 86 Ca 0.04 -1.30 -0.02 0.00 0.00 0.00 0.00 46.02 44.74 2wa4 n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wa4 n ASN 87 N -0.94 4.29 -3.73 1.61 0.23 -1.26 -4.78 115.26 110.68 2wa4 n ASN 87 Ca 0.00 -2.18 -0.30 0.00 -0.53 0.00 0.00 54.58 51.58 2wa4 n ASN 87 Cb 0.00 -0.97 0.23 0.00 -2.08 0.00 0.00 39.78 36.96 2wa4 n ASN 87 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wa4 n GLY 88 N 1.85 -2.13 3.85 4.83 0.00 -1.26 -4.98 105.19 107.35 2wa4 n GLY 88 Ca 0.09 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 2wa4 n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wa4 s ASP 89 N -5.18 5.96 -0.01 1.61 1.11 -1.26 -4.36 116.67 114.53 2wa4 s ASP 89 Ca 0.73 0.15 0.04 0.00 0.18 0.00 0.00 52.55 53.65 2wa4 s ASP 89 Cb -0.04 -1.74 -0.01 0.00 1.07 0.00 0.00 42.92 42.20 2wa4 s ASP 89 CO 0.54 0.19 -0.12 -0.36 1.18 0.00 0.00 175.17 176.60 2wa4 s PHE 90 N -1.41 1.11 -0.34 4.23 0.40 0.95 -4.88 117.98 118.04 2wa4 s PHE 90 Ca 0.31 -0.23 -0.29 0.00 -0.60 0.00 0.00 56.93 56.12 2wa4 s PHE 90 Cb -0.13 -0.73 0.01 0.00 0.51 0.00 0.00 43.02 42.68 2wa4 s PHE 90 CO 0.23 -0.04 1.31 -1.12 0.70 0.00 0.00 175.22 176.30 2wa4 s SER 91 N -0.18 6.60 -0.19 1.36 0.01 -1.26 -2.23 113.70 117.81 2wa4 s SER 91 Ca 0.03 1.07 -0.03 0.00 1.31 0.00 0.00 55.95 58.33 2wa4 s SER 91 Cb -0.06 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 2wa4 s SER 91 CO -0.00 -1.17 -0.07 -0.69 0.41 0.00 0.00 173.24 171.72 2wa4 s VAL 92 N 4.60 3.26 0.01 3.43 1.01 0.09 -1.54 120.40 131.26 2wa4 s VAL 92 Ca 0.57 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 2wa4 s VAL 92 Cb -0.15 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2wa4 s VAL 92 CO 0.26 0.46 0.24 -0.31 0.00 0.00 0.00 175.10 175.75 2wa4 s TYR 93 N 1.10 3.56 -0.02 5.22 2.02 0.18 -0.55 117.35 128.84 2wa4 s TYR 93 Ca 0.01 0.48 0.05 0.00 -0.37 0.00 0.00 57.07 57.24 2wa4 s TYR 93 Cb -0.15 -1.92 -0.01 0.00 -0.40 0.00 0.00 41.96 39.48 2wa4 s TYR 93 CO -0.01 0.61 -0.19 0.45 -1.57 0.00 0.00 175.55 174.84 2wa4 s SER 94 N -1.88 2.23 0.14 2.29 0.15 -0.54 -1.54 113.70 114.54 2wa4 s SER 94 Ca 0.29 -0.35 0.08 0.00 0.70 0.00 0.00 55.95 56.67 2wa4 s SER 94 Cb -0.13 -0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 63.78 2wa4 s SER 94 CO 0.18 0.21 -0.19 0.00 1.20 0.00 0.00 173.24 174.64 2wa4 s ALA 95 N -0.31 1.88 -0.08 5.45 0.00 -0.93 -2.75 121.76 125.02 2wa4 s ALA 95 Ca 0.04 -1.37 -0.09 0.00 0.00 0.00 0.00 51.96 50.53 2wa4 s ALA 95 Cb -0.09 -0.20 -0.29 0.00 0.00 0.00 0.00 23.12 22.55 2wa4 s ALA 95 CO 0.00 0.27 0.55 0.66 0.00 0.00 0.00 175.76 177.24 2wa4 h SER 96 N 3.60 0.54 -2.19 0.00 4.64 -1.87 -2.65 113.55 115.63 2wa4 h SER 96 Ca -0.44 -0.95 0.00 0.00 -0.47 0.00 0.00 61.79 59.94 2wa4 h SER 96 Cb 1.20 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2wa4 h SER 96 CO 0.46 1.82 0.00 0.35 -0.87 0.00 0.00 176.83 178.59 2wa4 n THR 97 N -3.55 0.00 0.33 2.95 -2.24 -1.26 -4.13 114.28 106.38 2wa4 n THR 97 Ca -0.28 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.64 2wa4 n THR 97 Cb 1.07 -1.59 0.40 0.00 -2.10 0.00 0.00 70.33 68.11 2wa4 n THR 97 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 2wa4 h HIS 98 N -0.40 0.00 -3.38 4.78 -0.00 -1.88 -3.41 115.15 110.86 2wa4 h HIS 98 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 60.37 59.78 2wa4 h HIS 98 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 27.41 27.32 2wa4 h HIS 98 CO 0.00 0.00 0.27 0.15 -0.00 0.00 0.00 177.93 178.35 2wa4 s LYS 99 N -3.34 4.20 -0.47 5.12 1.02 -1.26 -1.48 119.74 123.52 2wa4 s LYS 99 Ca 0.06 0.75 -0.25 0.00 0.02 0.00 0.00 55.97 56.55 2wa4 s LYS 99 Cb 0.08 -3.61 0.03 0.00 -0.52 0.00 0.00 37.83 33.81 2wa4 s LYS 99 CO 0.59 -0.37 0.89 -0.06 -0.92 0.00 0.00 175.35 175.48 2wa4 s PHE 100 N 2.32 2.92 -0.31 3.18 0.40 -0.79 -4.71 117.98 120.99 2wa4 s PHE 100 Ca 0.31 0.25 -0.18 0.00 -0.60 0.00 0.00 56.93 56.72 2wa4 s PHE 100 Cb -0.16 -3.91 -0.02 0.00 0.51 0.00 0.00 43.02 39.45 2wa4 s PHE 100 CO 0.09 -1.12 0.52 -0.48 0.70 0.00 0.00 175.22 174.94 2wa4 s LEU 101 N 3.67 4.18 0.17 -0.37 -0.00 -1.26 -4.38 118.68 120.69 2wa4 s LEU 101 Ca 0.34 0.26 0.05 0.00 -0.00 0.00 0.00 54.13 54.78 2wa4 s LEU 101 Cb -0.11 -2.64 -0.04 0.00 -0.00 0.00 0.00 46.19 43.41 2wa4 s LEU 101 CO 0.24 -0.39 0.18 -0.31 -0.00 0.00 0.00 176.35 176.07 2wa4 s TYR 102 N 2.38 3.22 -0.12 3.48 2.02 -1.26 -3.84 117.35 123.23 2wa4 s TYR 102 Ca 0.20 -0.00 -0.17 0.00 -0.37 0.00 0.00 57.07 56.73 2wa4 s TYR 102 Cb -0.15 -1.53 0.04 0.00 -0.40 0.00 0.00 41.96 39.92 2wa4 s TYR 102 CO 0.11 0.52 0.44 1.52 -1.57 0.00 0.00 175.55 176.57 2wa4 s TYR 103 N -1.80 -0.44 -0.37 2.71 -0.85 -1.26 -4.66 117.35 110.68 2wa4 s TYR 103 Ca 0.32 0.99 -0.26 0.00 -0.52 0.00 0.00 57.07 57.60 2wa4 s TYR 103 Cb -0.10 0.18 0.01 0.00 0.38 0.00 0.00 41.96 42.43 2wa4 s TYR 103 CO 0.25 -0.31 0.91 0.34 -1.52 0.00 0.00 175.55 175.22 2wa4 s ASP 104 N -0.26 6.66 0.18 -0.18 -1.08 -0.50 -4.94 116.67 116.56 2wa4 s ASP 104 Ca -0.04 0.54 -0.09 0.00 -0.52 0.00 0.00 52.55 52.43 2wa4 s ASP 104 Cb -0.03 -2.46 0.07 0.00 -1.46 0.00 0.00 42.92 39.04 2wa4 s ASP 104 CO 0.02 -0.85 1.65 -0.33 0.52 0.00 0.00 175.17 176.18 2wa4 h GLU 105 N 8.50 1.07 -1.05 4.34 5.08 -2.00 -1.58 114.58 128.94 2wa4 h GLU 105 Ca -0.23 -0.33 0.29 0.00 -1.00 0.00 0.00 59.36 58.09 2wa4 h GLU 105 Cb 1.08 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.16 2wa4 h GLU 105 CO 0.98 1.03 0.72 0.87 -1.00 0.00 0.00 179.01 181.61 2wa4 h LYS 106 N 0.97 0.16 -0.20 2.33 1.57 -1.99 -1.90 116.57 117.52 2wa4 h LYS 106 Ca 0.18 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2wa4 h LYS 106 Cb 0.53 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2wa4 h LYS 106 CO 0.03 0.11 0.00 1.63 -0.57 0.00 0.00 179.45 180.65 2wa4 n LYS 107 N -4.38 1.75 0.09 3.15 5.02 -0.59 -4.34 118.16 118.85 2wa4 n LYS 107 Ca 0.23 -1.13 -0.08 0.00 -2.02 0.00 0.00 58.31 55.31 2wa4 n LYS 107 Cb 1.01 -1.38 -0.00 0.00 -0.02 0.00 0.00 35.03 34.65 2wa4 n LYS 107 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 2wa4 h MET 108 N 2.21 0.18 -0.48 1.97 2.86 -1.43 -3.17 114.93 117.07 2wa4 h MET 108 Ca 0.00 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.49 2wa4 h MET 108 Cb 0.49 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.15 2wa4 h MET 108 CO 0.00 0.94 -0.29 0.00 1.06 0.00 0.00 176.91 178.62 2wa4 n ALA 109 N -2.46 -0.31 -0.45 6.32 0.00 -1.26 -1.58 120.51 120.77 2wa4 n ALA 109 Ca -0.03 0.41 0.39 0.00 0.00 0.00 0.00 53.44 54.21 2wa4 n ALA 109 Cb 0.80 0.14 0.66 0.00 0.00 0.00 0.00 19.45 21.06 2wa4 n ALA 109 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2wa4 h ASN 110 N 0.00 0.22 -2.89 0.00 2.35 -1.87 -3.34 115.58 110.06 2wa4 h ASN 110 Ca 0.08 0.17 -0.60 0.00 -0.55 0.00 0.00 56.30 55.40 2wa4 h ASN 110 Cb 0.20 0.17 -0.39 0.00 0.05 0.00 0.00 38.32 38.34 2wa4 h ASN 110 CO -0.46 -0.27 -0.82 -0.36 -1.65 0.00 0.00 177.43 173.88 2wa4 s PHE 111 N -5.30 1.41 -0.57 1.19 0.40 -0.62 -4.87 117.98 109.62 2wa4 s PHE 111 Ca -0.08 -2.15 0.26 0.00 -0.60 0.00 0.00 56.93 54.36 2wa4 s PHE 111 Cb 0.31 -1.36 0.80 0.00 0.51 0.00 0.00 43.02 43.28 2wa4 s PHE 111 CO 0.82 -0.80 1.75 1.96 0.70 0.00 0.00 175.22 179.65 2wa4 h GLN 112 N 6.53 0.00 0.00 0.44 4.20 -1.70 -1.63 115.11 122.95 2wa4 h GLN 112 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2wa4 h GLN 112 Cb 0.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2wa4 h GLN 112 CO 0.39 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.64 2wa4 n ASN 113 N -2.47 0.00 -4.64 1.46 4.13 -1.26 -4.69 115.26 107.79 2wa4 n ASN 113 Ca 0.04 -1.06 -0.41 0.00 1.68 0.00 0.00 54.58 54.83 2wa4 n ASN 113 Cb 0.40 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.59 2wa4 n ASN 113 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2wa4 s PHE 114 N -2.00 3.31 -0.10 3.10 5.36 -0.62 -5.05 117.98 121.99 2wa4 s PHE 114 Ca 0.34 0.96 -0.00 0.00 -0.96 0.00 0.00 56.93 57.27 2wa4 s PHE 114 Cb 0.16 -2.91 -0.03 0.00 -0.34 0.00 0.00 43.02 39.90 2wa4 s PHE 114 CO 0.26 -0.33 -0.07 0.15 -1.46 0.00 0.00 175.22 173.78 2wa4 s LYS 115 N 2.53 3.05 0.17 10.12 -0.14 -1.26 -5.06 119.74 129.15 2wa4 s LYS 115 Ca 0.30 -0.56 -0.32 0.00 -1.36 0.00 0.00 55.97 54.04 2wa4 s LYS 115 Cb -0.15 -2.67 -0.17 0.00 -1.68 0.00 0.00 37.83 33.15 2wa4 s LYS 115 CO 0.08 0.51 0.87 -2.30 -0.76 0.00 0.00 175.35 173.75 2wa4 n PRO 116 N 2.70 0.51 -0.03 -1.68 -0.02 -1.26 -4.94 135.00 130.27 2wa4 n PRO 116 Ca -0.18 0.18 -0.04 0.00 -2.02 0.00 0.00 63.50 61.44 2wa4 n PRO 116 Cb 0.53 -1.47 -0.01 0.00 -0.02 0.00 0.00 33.50 32.53 2wa4 n PRO 116 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wa4 n ARG 117 N 1.27 0.25 -2.69 -0.52 5.12 -1.26 -5.05 116.66 113.78 2wa4 n ARG 117 Ca 0.16 0.10 -0.23 0.00 -1.93 0.00 0.00 57.85 55.95 2wa4 n ARG 117 Cb 0.23 -0.89 0.03 0.00 -1.16 0.00 0.00 32.46 30.66 2wa4 n ARG 117 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2wa4 s SER 118 N -5.33 5.47 0.07 0.55 1.04 -1.25 -4.87 113.70 109.39 2wa4 s SER 118 Ca -0.14 0.24 -0.26 0.00 0.48 0.00 0.00 55.95 56.27 2wa4 s SER 118 Cb 0.02 -1.24 0.08 0.00 0.10 0.00 0.00 66.02 64.98 2wa4 s SER 118 CO 0.20 -1.02 0.73 0.54 0.98 0.00 0.00 173.24 174.67 2wa4 s ASN 119 N -4.34 -0.50 -0.10 7.02 2.20 -1.11 -5.00 114.94 113.11 2wa4 s ASN 119 Ca 0.54 0.08 -0.02 0.00 -0.94 0.00 0.00 52.86 52.52 2wa4 s ASN 119 Cb -0.10 0.51 -0.03 0.00 -2.00 0.00 0.00 41.25 39.62 2wa4 s ASN 119 CO 0.40 -0.79 -0.00 -0.60 -2.94 0.00 0.00 177.10 173.17 2wa4 s ARG 120 N -3.20 3.08 0.07 3.55 3.52 -1.26 -1.47 118.95 123.24 2wa4 s ARG 120 Ca 0.01 -0.42 0.08 0.00 -0.13 0.00 0.00 55.73 55.28 2wa4 s ARG 120 Cb -0.01 -2.81 -0.03 0.00 -1.56 0.00 0.00 34.95 30.54 2wa4 s ARG 120 CO -0.09 0.64 -0.23 -2.00 -0.81 0.00 0.00 175.30 172.81 2wa4 s GLU 121 N -0.72 1.41 0.21 5.12 2.12 0.28 -4.98 118.70 122.13 2wa4 s GLU 121 Ca 0.11 -1.09 -0.07 0.00 0.36 0.00 0.00 54.97 54.29 2wa4 s GLU 121 Cb -0.12 -1.63 -0.06 0.00 0.26 0.00 0.00 34.13 32.59 2wa4 s GLU 121 CO 0.02 0.40 0.49 -1.21 -0.54 0.00 0.00 175.26 174.42 2wa4 s GLU 122 N -1.49 3.71 -0.10 4.30 0.41 -1.26 -0.73 118.70 123.53 2wa4 s GLU 122 Ca 0.09 0.10 -0.31 0.00 -0.41 0.00 0.00 54.97 54.44 2wa4 s GLU 122 Cb -0.09 -2.72 0.12 0.00 -1.78 0.00 0.00 34.13 29.66 2wa4 s GLU 122 CO 0.03 0.36 1.02 0.00 -0.49 0.00 0.00 175.26 176.18 2wa4 s MET 123 N -2.86 0.59 0.80 1.61 0.23 -0.95 -4.91 119.30 113.81 2wa4 s MET 123 Ca 0.45 -0.14 -0.13 0.00 -1.03 0.00 0.00 55.69 54.84 2wa4 s MET 123 Cb -0.11 0.27 0.08 0.00 -1.53 0.00 0.00 34.83 33.54 2wa4 s MET 123 CO 0.24 -0.24 1.17 0.15 -2.03 0.00 0.00 175.02 174.31 2wa4 s LYS 124 N -2.41 1.73 0.13 3.16 -0.14 -1.26 -0.04 119.74 120.91 2wa4 s LYS 124 Ca 0.05 1.63 -0.17 0.00 -1.36 0.00 0.00 55.97 56.12 2wa4 s LYS 124 Cb -0.01 -1.80 -0.01 0.00 -1.68 0.00 0.00 37.83 34.33 2wa4 s LYS 124 CO -0.05 -2.12 1.71 0.35 -0.76 0.00 0.00 175.35 174.48 2wa4 h PHE 125 N -0.97 0.53 -0.07 3.18 3.57 -1.90 -2.36 116.94 118.94 2wa4 h PHE 125 Ca -0.46 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 60.98 2wa4 h PHE 125 Cb 1.28 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 2wa4 h PHE 125 CO 0.49 0.45 -0.13 1.12 -2.23 0.00 0.00 178.31 178.01 2wa4 h HIS 126 N 0.46 0.10 0.07 0.41 2.07 -1.92 0.52 115.15 116.86 2wa4 h HIS 126 Ca 0.13 -0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.64 2wa4 h HIS 126 Cb 0.12 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 30.07 2wa4 h HIS 126 CO -0.01 0.23 -0.03 0.93 -3.07 0.00 0.00 177.93 175.97 2wa4 h GLU 127 N 0.10 -0.09 -0.51 5.12 5.08 -1.83 0.30 114.58 122.75 2wa4 h GLU 127 Ca 0.02 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 2wa4 h GLU 127 Cb 0.29 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 2wa4 h GLU 127 CO 0.02 0.12 -0.04 0.35 -1.00 0.00 0.00 179.01 178.46 2wa4 h PHE 128 N -0.29 -0.10 0.01 4.33 3.57 -0.91 0.11 116.94 123.66 2wa4 h PHE 128 Ca -0.01 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2wa4 h PHE 128 Cb 0.25 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.11 2wa4 h PHE 128 CO -0.01 -0.15 -0.00 0.28 -2.23 0.00 0.00 178.31 176.20 2wa4 h VAL 129 N 0.08 1.00 -0.25 1.41 2.07 -0.60 1.00 116.25 120.96 2wa4 h VAL 129 Ca 0.26 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.83 2wa4 h VAL 129 Cb 0.40 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 2wa4 h VAL 129 CO -0.46 0.00 -0.22 -0.33 0.02 0.00 0.00 177.57 176.58 2wa4 h GLU 130 N -0.01 -0.21 0.00 1.57 5.08 0.07 -1.52 114.58 119.55 2wa4 h GLU 130 Ca -0.00 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2wa4 h GLU 130 Cb 0.01 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2wa4 h GLU 130 CO 0.00 -0.14 -0.14 -0.22 -1.00 0.00 0.00 179.01 177.51 2wa4 h LYS 131 N -0.22 0.00 0.18 2.33 3.64 -0.35 -2.21 116.57 119.95 2wa4 h LYS 131 Ca 0.14 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2wa4 h LYS 131 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2wa4 h LYS 131 CO -0.38 0.14 -0.09 1.25 -2.27 0.00 0.00 179.45 178.10 2wa4 h LEU 132 N 0.00 -0.21 -1.56 5.20 6.46 0.14 -3.15 115.31 122.20 2wa4 h LEU 132 Ca -0.00 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 2wa4 h LEU 132 Cb 0.39 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 2wa4 h LEU 132 CO 0.02 -0.09 0.39 1.56 -0.62 0.00 0.00 178.44 179.70 2wa4 h GLN 133 N -0.36 0.52 -0.20 1.25 4.20 -1.23 0.04 115.11 119.33 2wa4 h GLN 133 Ca -0.02 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.68 2wa4 h GLN 133 Cb 0.19 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 2wa4 h GLN 133 CO 0.04 0.34 -0.30 0.22 -0.67 0.00 0.00 178.83 178.47 2wa4 h ASP 134 N 0.53 -0.98 -1.02 1.46 3.58 -1.53 -2.60 116.42 115.86 2wa4 h ASP 134 Ca 0.25 0.13 0.29 0.00 0.42 0.00 0.00 57.03 58.12 2wa4 h ASP 134 Cb 0.31 0.40 -0.13 0.00 1.72 0.00 0.00 39.33 41.63 2wa4 h ASP 134 CO -0.07 -0.22 0.60 0.40 -2.88 0.00 0.00 179.24 177.07 2wa4 h ILE 135 N -0.23 0.42 0.00 2.25 2.04 -0.94 -3.28 117.51 117.78 2wa4 h ILE 135 Ca 0.04 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2wa4 h ILE 135 Cb 0.32 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 2wa4 h ILE 135 CO -0.31 0.08 0.00 0.00 0.00 0.00 0.00 178.15 177.92 2wa4 n GLN 136 N -4.92 0.00 -0.42 2.37 6.02 -0.98 -1.99 117.38 117.46 2wa4 n GLN 136 Ca 0.29 0.31 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 2wa4 n GLN 136 Cb 0.88 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.89 2wa4 n GLN 136 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wa4 n GLN 137 N -1.43 0.85 -0.69 -1.09 -0.00 -1.20 -1.89 117.38 111.92 2wa4 n GLN 137 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2wa4 n GLN 137 Cb 0.00 -1.08 -0.00 0.00 -0.00 0.00 0.00 30.24 29.16 2wa4 n GLN 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2wa4 n ARG 138 N 1.56 0.00 -0.62 2.61 1.74 -1.19 -5.03 116.66 115.74 2wa4 n ARG 138 Ca 0.00 -0.93 0.00 0.00 -0.77 0.00 0.00 57.85 56.15 2wa4 n ARG 138 Cb 0.42 -0.24 0.00 0.00 -1.02 0.00 0.00 32.46 31.62 2wa4 n ARG 138 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wa4 n GLY 139 N 0.08 0.11 3.57 -0.13 0.00 -0.79 -4.90 105.19 103.13 2wa4 n GLY 139 Ca -0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 2wa4 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wa4 n GLY 140 N -1.66 -0.21 0.01 -0.02 0.00 -0.84 -4.83 105.19 97.63 2wa4 n GLY 140 Ca 0.00 0.42 0.14 0.00 0.00 0.00 0.00 46.02 46.58 2wa4 n GLY 140 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wa4 n GLU 141 N 1.20 0.23 -2.07 1.61 -0.58 -1.26 -4.84 120.64 114.93 2wa4 n GLU 141 Ca 0.12 -0.01 -0.37 0.00 -0.42 0.00 0.00 57.16 56.49 2wa4 n GLU 141 Cb 0.28 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.67 2wa4 n GLU 141 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2wa4 s GLU 142 N -2.78 3.31 0.03 3.49 2.12 -1.26 -4.50 118.70 119.11 2wa4 s GLU 142 Ca 0.21 1.87 0.02 0.00 0.36 0.00 0.00 54.97 57.43 2wa4 s GLU 142 Cb 0.20 -2.16 -0.02 0.00 0.26 0.00 0.00 34.13 32.40 2wa4 s GLU 142 CO 0.50 -0.94 -0.07 1.03 -0.54 0.00 0.00 175.26 175.24 2wa4 s ARG 143 N -3.02 0.49 0.11 4.30 1.81 -1.00 -5.01 118.95 116.63 2wa4 s ARG 143 Ca 0.71 -0.58 0.06 0.00 -1.72 0.00 0.00 55.73 54.19 2wa4 s ARG 143 Cb -0.31 -0.32 -0.04 0.00 -0.45 0.00 0.00 34.95 33.84 2wa4 s ARG 143 CO 0.36 0.07 -0.14 -0.51 -0.68 0.00 0.00 175.30 174.40 2wa4 s LEU 144 N -1.15 2.38 -0.04 2.53 1.43 -1.26 -2.19 118.68 120.38 2wa4 s LEU 144 Ca -0.07 -0.77 0.01 0.00 -1.03 0.00 0.00 54.13 52.27 2wa4 s LEU 144 Cb -0.08 -0.53 0.02 0.00 0.03 0.00 0.00 46.19 45.63 2wa4 s LEU 144 CO 0.00 -0.14 -0.03 -0.31 0.23 0.00 0.00 176.35 176.10 2wa4 s TYR 145 N -1.98 0.62 -0.05 0.29 2.02 -0.59 -3.81 117.35 113.85 2wa4 s TYR 145 Ca 0.07 -0.14 -0.09 0.00 -0.37 0.00 0.00 57.07 56.54 2wa4 s TYR 145 Cb -0.06 -0.58 -0.05 0.00 -0.40 0.00 0.00 41.96 40.87 2wa4 s TYR 145 CO 0.03 -0.17 0.24 -1.17 -1.57 0.00 0.00 175.55 172.91 2wa4 s LEU 146 N 0.92 4.40 -0.06 -1.29 0.20 -0.45 -0.65 118.68 121.76 2wa4 s LEU 146 Ca -0.11 0.61 -0.01 0.00 0.69 0.00 0.00 54.13 55.32 2wa4 s LEU 146 Cb -0.14 -2.39 0.03 0.00 -0.43 0.00 0.00 46.19 43.26 2wa4 s LEU 146 CO -0.00 0.34 -0.00 -1.10 -0.29 0.00 0.00 176.35 175.29 2wa4 s GLN 147 N -1.28 0.55 -0.10 1.98 -0.21 -0.59 -2.32 119.66 117.68 2wa4 s GLN 147 Ca 0.21 0.09 -0.05 0.00 0.02 0.00 0.00 55.36 55.63 2wa4 s GLN 147 Cb -0.13 -0.84 0.05 0.00 1.00 0.00 0.00 33.01 33.08 2wa4 s GLN 147 CO 0.10 -0.24 0.22 -1.14 -2.12 0.00 0.00 175.29 172.11 2wa4 s GLN 148 N 1.66 0.16 0.34 2.91 2.00 -0.86 -4.01 119.66 121.86 2wa4 s GLN 148 Ca -0.00 0.54 -0.28 0.00 -2.00 0.00 0.00 55.36 53.62 2wa4 s GLN 148 Cb -0.13 -0.13 -0.10 0.00 0.80 0.00 0.00 33.01 33.45 2wa4 s GLN 148 CO -0.04 -0.20 1.26 0.99 -0.50 0.00 0.00 175.29 176.81 2wa4 s THR 149 N 1.51 2.85 -0.14 -0.34 2.01 -1.26 -0.28 115.64 119.99 2wa4 s THR 149 Ca -0.07 0.83 -0.19 0.00 0.31 0.00 0.00 61.69 62.57 2wa4 s THR 149 Cb -0.11 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 2wa4 s THR 149 CO -0.08 0.18 0.53 -0.76 -0.69 0.00 0.00 174.62 173.80 2wa4 s LEU 150 N -1.90 4.23 0.00 4.42 1.43 -1.26 -4.90 118.68 120.70 2wa4 s LEU 150 Ca 0.50 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 2wa4 s LEU 150 Cb -0.38 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.08 2wa4 s LEU 150 CO 0.49 -0.09 0.00 -0.46 0.23 0.00 0.00 176.35 176.53 2wa4 n ASN 151 N 4.12 0.00 0.29 2.29 0.23 -1.26 -4.96 115.26 115.97 2wa4 n ASN 151 Ca -0.05 -0.98 0.18 0.00 -0.53 0.00 0.00 54.58 53.20 2wa4 n ASN 151 Cb 0.51 0.00 0.81 0.00 -2.08 0.00 0.00 39.78 39.03 2wa4 n ASN 151 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2wa4 h ASP 152 N 0.00 0.00 0.00 0.53 5.19 -2.00 -3.16 116.42 116.98 2wa4 h ASP 152 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2wa4 h ASP 152 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2wa4 h ASP 152 CO 0.00 0.02 0.00 0.35 -3.12 0.00 0.00 179.24 176.49 2wa4 n THR 153 N -3.14 0.00 -4.50 0.35 -2.24 -1.26 -4.76 114.28 98.74 2wa4 n THR 153 Ca -0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 2wa4 n THR 153 Cb 0.25 -0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 67.87 2wa4 n THR 153 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2wa4 s VAL 154 N -2.00 2.33 0.61 2.28 -7.23 -1.20 -4.87 120.40 110.32 2wa4 s VAL 154 Ca 0.04 -2.16 -0.20 0.00 -1.81 0.00 0.00 61.98 57.85 2wa4 s VAL 154 Cb 0.02 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 2wa4 s VAL 154 CO 0.03 -0.21 1.33 0.61 -0.31 0.00 0.00 175.10 176.55 2wa4 n GLY 155 N -0.82 0.67 0.27 2.32 0.00 -0.24 -4.68 105.19 102.71 2wa4 n GLY 155 Ca -0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 2wa4 n GLY 155 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wa4 h ARG 156 N 0.93 -0.13 -0.67 1.61 2.47 -1.90 -1.47 114.38 115.22 2wa4 h ARG 156 Ca -0.51 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.26 2wa4 h ARG 156 Cb 1.32 0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 29.63 2wa4 h ARG 156 CO 0.55 -0.09 0.40 0.87 0.56 0.00 0.00 179.97 182.26 2wa4 h LYS 157 N -0.13 0.74 -0.59 0.04 1.57 -1.92 -0.89 116.57 115.39 2wa4 h LYS 157 Ca 0.21 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2wa4 h LYS 157 Cb 0.47 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 2wa4 h LYS 157 CO -0.54 0.49 0.30 0.82 -0.57 0.00 0.00 179.45 179.95 2wa4 h ILE 158 N 0.77 1.19 -0.71 1.86 1.08 -1.51 0.38 117.51 120.56 2wa4 h ILE 158 Ca 0.28 -0.51 -0.05 0.00 -0.39 0.00 0.00 64.86 64.19 2wa4 h ILE 158 Cb 0.08 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 2wa4 h ILE 158 CO -0.13 0.22 0.24 0.58 -0.69 0.00 0.00 178.15 178.36 2wa4 h VAL 159 N 0.83 1.26 -0.26 1.67 2.07 -0.61 -0.09 116.25 121.12 2wa4 h VAL 159 Ca 0.21 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.88 2wa4 h VAL 159 Cb 0.06 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2wa4 h VAL 159 CO -0.03 0.34 0.14 0.24 0.02 0.00 0.00 177.57 178.28 2wa4 h MET 160 N 1.04 0.29 -0.20 1.57 2.86 0.03 -0.13 114.93 120.39 2wa4 h MET 160 Ca 0.23 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.90 2wa4 h MET 160 Cb 0.28 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 2wa4 h MET 160 CO -0.01 0.19 -0.09 -0.44 1.06 0.00 0.00 176.91 177.62 2wa4 h ASP 161 N 0.30 -0.31 -0.50 1.22 3.32 -0.73 -2.49 116.42 117.23 2wa4 h ASP 161 Ca 0.10 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 2wa4 h ASP 161 Cb 0.01 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2wa4 h ASP 161 CO -0.05 -0.12 0.32 0.15 -1.72 0.00 0.00 179.24 177.81 2wa4 h PHE 162 N -0.07 0.66 0.00 4.55 3.57 -0.85 -2.49 116.94 122.32 2wa4 h PHE 162 Ca 0.11 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 2wa4 h PHE 162 Cb 0.23 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2wa4 h PHE 162 CO -0.26 0.44 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.79 2wa4 h LEU 163 N 0.70 0.00 -1.02 0.59 3.38 -0.64 -2.82 115.31 115.50 2wa4 h LEU 163 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2wa4 h LEU 163 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2wa4 h LEU 163 CO -0.04 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.51 2wa4 n GLY 164 N -0.08 0.25 3.50 0.83 0.00 -0.94 -4.87 105.19 103.88 2wa4 n GLY 164 Ca -0.01 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 2wa4 n GLY 164 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wa4 n PHE 165 N 0.26 -0.82 -2.24 1.61 3.01 -1.07 -4.61 117.46 113.60 2wa4 n PHE 165 Ca 0.13 -0.01 -0.43 0.00 1.01 0.00 0.00 57.45 58.15 2wa4 n PHE 165 Cb 0.27 -1.76 0.00 0.00 -0.01 0.00 0.00 39.48 37.98 2wa4 n PHE 165 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2wa4 n ASN 166 N -4.57 4.69 -0.35 4.37 2.85 -0.13 -4.74 115.26 117.38 2wa4 n ASN 166 Ca 0.05 -2.98 -0.03 0.00 -0.11 0.00 0.00 54.58 51.51 2wa4 n ASN 166 Cb 0.54 -1.58 0.10 0.00 1.24 0.00 0.00 39.78 40.08 2wa4 n ASN 166 CO 0.00 0.00 0.00 -0.50 -2.11 0.00 0.00 177.26 174.65 2wa4 h TRP 167 N 6.21 1.21 -0.76 1.20 4.06 -1.89 -1.08 115.95 124.91 2wa4 h TRP 167 Ca 0.45 0.02 0.09 0.00 2.06 0.00 0.00 58.89 61.50 2wa4 h TRP 167 Cb 0.69 -0.41 -0.07 0.00 -1.00 0.00 0.00 29.16 28.38 2wa4 h TRP 167 CO 1.32 0.78 0.41 -0.97 -3.56 0.00 0.00 178.44 176.42 2wa4 h ASN 168 N 1.29 0.58 -0.48 -3.49 -1.24 -1.99 0.67 115.58 110.93 2wa4 h ASN 168 Ca 0.35 0.05 -0.03 0.00 0.71 0.00 0.00 56.30 57.38 2wa4 h ASN 168 Cb -0.12 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 38.85 2wa4 h ASN 168 CO -0.07 0.34 0.20 -0.25 -1.29 0.00 0.00 177.43 176.36 2wa4 h TRP 169 N 0.71 0.72 0.09 0.67 7.01 -1.65 -2.33 115.95 121.18 2wa4 h TRP 169 Ca 0.36 -0.05 -0.27 0.00 2.11 0.00 0.00 58.89 61.04 2wa4 h TRP 169 Cb 0.32 -0.22 0.01 0.00 -2.10 0.00 0.00 29.16 27.18 2wa4 h TRP 169 CO -0.08 0.60 -1.15 0.97 -2.79 0.00 0.00 178.44 175.99 2wa4 h ILE 170 N 0.63 1.39 -0.63 2.65 2.10 -0.32 -2.41 117.51 120.93 2wa4 h ILE 170 Ca 0.16 -2.67 -0.05 0.00 1.08 0.00 0.00 64.86 63.39 2wa4 h ILE 170 Cb 0.18 2.70 -0.03 0.00 -1.09 0.00 0.00 36.82 38.58 2wa4 h ILE 170 CO -0.01 0.79 0.21 0.78 -1.08 0.00 0.00 178.15 178.84 2wa4 h ASN 171 N 0.19 0.91 -0.80 2.19 2.35 0.22 -2.92 115.58 117.71 2wa4 h ASN 171 Ca -0.14 -0.20 0.09 0.00 -0.55 0.00 0.00 56.30 55.50 2wa4 h ASN 171 Cb 1.83 -0.24 -0.07 0.00 0.05 0.00 0.00 38.32 39.89 2wa4 h ASN 171 CO 0.20 0.86 0.45 0.11 -1.65 0.00 0.00 177.43 177.41 2wa4 h LYS 172 N 0.90 0.74 -0.52 0.81 1.57 -1.29 -2.25 116.57 116.53 2wa4 h LYS 172 Ca 0.20 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2wa4 h LYS 172 Cb 0.27 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2wa4 h LYS 172 CO -0.01 0.49 0.14 1.96 -0.57 0.00 0.00 179.45 181.47 2wa4 h GLN 173 N 0.77 0.82 -0.43 3.15 1.08 -1.32 -1.40 115.11 117.78 2wa4 h GLN 173 Ca 0.39 -0.19 0.09 0.00 -1.45 0.00 0.00 58.65 57.48 2wa4 h GLN 173 Cb 0.35 -0.11 -0.09 0.00 -0.05 0.00 0.00 27.48 27.57 2wa4 h GLN 173 CO -0.24 0.77 -0.30 0.37 -0.95 0.00 0.00 178.83 178.48 2wa4 h GLN 174 N 0.72 -0.21 0.63 1.46 4.15 -1.24 -2.57 115.11 118.05 2wa4 h GLN 174 Ca 0.17 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.57 2wa4 h GLN 174 Cb 0.31 0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.05 2wa4 h GLN 174 CO -0.00 -0.14 -0.30 0.78 -1.93 0.00 0.00 178.83 177.24 2wa4 h GLY 175 N -0.21 -0.88 -0.89 2.39 0.00 -1.26 -2.10 103.07 100.12 2wa4 h GLY 175 Ca 0.19 0.32 0.15 0.00 0.00 0.00 0.00 47.33 48.00 2wa4 h GLY 175 CO -0.55 -0.32 -0.30 0.28 0.00 0.00 0.00 176.54 175.65 2wa4 n LYS 176 N -4.40 -0.16 0.09 4.80 5.02 -0.54 -0.34 118.16 122.63 2wa4 n LYS 176 Ca -0.10 1.38 0.13 0.00 -2.02 0.00 0.00 58.31 57.70 2wa4 n LYS 176 Cb 0.33 -2.05 0.43 0.00 -0.02 0.00 0.00 35.03 33.72 2wa4 n LYS 176 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wa4 n ARG 177 N -5.37 0.23 -1.90 1.97 5.12 -0.97 -4.89 116.66 110.84 2wa4 n ARG 177 Ca 0.11 0.19 -0.05 0.00 -1.93 0.00 0.00 57.85 56.17 2wa4 n ARG 177 Cb 0.39 -1.77 -0.01 0.00 -1.16 0.00 0.00 32.46 29.92 2wa4 n ARG 177 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wa4 n GLY 178 N 1.30 0.28 3.78 -0.13 0.00 0.54 -4.74 105.19 106.22 2wa4 n GLY 178 Ca 0.06 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 2wa4 n GLY 178 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wa4 s TRP 179 N -2.25 2.66 0.00 1.61 0.51 -0.80 -3.76 118.94 116.91 2wa4 s TRP 179 Ca 0.00 1.09 0.00 0.00 -2.12 0.00 0.00 56.10 55.07 2wa4 s TRP 179 Cb 0.00 -3.20 0.00 0.00 -0.81 0.00 0.00 33.47 29.46 2wa4 s TRP 179 CO 0.00 -2.04 0.00 0.41 -0.51 0.00 0.00 176.95 174.81 2wa4 n GLY 180 N -1.95 -1.28 3.93 0.98 0.00 -0.27 -4.74 105.19 101.86 2wa4 n GLY 180 Ca 0.07 -1.58 -0.26 0.00 0.00 0.00 0.00 46.02 44.25 2wa4 n GLY 180 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wa4 s GLN 181 N -1.21 2.61 -0.13 1.61 1.03 -1.26 -4.61 119.66 117.70 2wa4 s GLN 181 Ca 0.00 -0.15 -0.37 0.00 0.04 0.00 0.00 55.36 54.88 2wa4 s GLN 181 Cb 0.00 -2.24 -0.14 0.00 0.03 0.00 0.00 33.01 30.66 2wa4 s GLN 181 CO 0.00 -0.91 1.78 -0.11 -2.54 0.00 0.00 175.29 173.50 2wa4 n LEU 182 N -2.70 2.92 0.00 2.60 7.94 -1.26 -3.62 117.00 122.87 2wa4 n LEU 182 Ca 0.06 1.03 0.03 0.00 -1.11 0.00 0.00 56.01 56.02 2wa4 n LEU 182 Cb 0.59 -1.28 -0.12 0.00 0.53 0.00 0.00 43.42 43.15 2wa4 n LEU 182 CO 0.52 -0.27 -0.58 0.35 -1.11 0.00 0.00 177.39 176.30 2wa4 n THR 183 N 4.66 0.77 -3.95 1.96 -2.24 0.61 -4.98 114.28 111.10 2wa4 n THR 183 Ca 0.23 -0.64 0.03 0.00 -2.27 0.00 0.00 64.05 61.40 2wa4 n THR 183 Cb 0.23 -0.39 0.01 0.00 -2.10 0.00 0.00 70.33 68.08 2wa4 n THR 183 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wa4 s SER 184 N -5.25 -0.00 0.17 3.42 1.04 -1.23 -5.03 113.70 106.81 2wa4 s SER 184 Ca -0.06 -0.12 -0.16 0.00 0.48 0.00 0.00 55.95 56.10 2wa4 s SER 184 Cb 0.10 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.33 2wa4 s SER 184 CO 0.84 -0.18 0.45 0.54 0.98 0.00 0.00 173.24 175.87 2wa4 s ASN 185 N -3.76 -0.20 -0.25 7.02 2.20 -1.26 -1.73 114.94 116.96 2wa4 s ASN 185 Ca 0.29 -0.49 -0.15 0.00 -0.94 0.00 0.00 52.86 51.56 2wa4 s ASN 185 Cb 0.01 0.52 0.07 0.00 -2.00 0.00 0.00 41.25 39.85 2wa4 s ASN 185 CO -0.02 -0.97 0.62 -0.22 -2.94 0.00 0.00 177.10 173.57 2wa4 s LEU 186 N -2.87 -0.70 -0.18 3.54 2.96 -0.86 -4.29 118.68 116.28 2wa4 s LEU 186 Ca 0.09 1.35 -0.16 0.00 -0.22 0.00 0.00 54.13 55.18 2wa4 s LEU 186 Cb 0.01 2.11 -0.04 0.00 0.50 0.00 0.00 46.19 48.77 2wa4 s LEU 186 CO -0.05 -0.23 0.40 -0.22 -1.32 0.00 0.00 176.35 174.93 2wa4 s LEU 187 N 1.50 4.19 -0.07 -0.68 2.96 0.61 -1.44 118.68 125.75 2wa4 s LEU 187 Ca -0.09 0.57 0.05 0.00 -0.22 0.00 0.00 54.13 54.44 2wa4 s LEU 187 Cb -0.06 -2.53 -0.01 0.00 0.50 0.00 0.00 46.19 44.09 2wa4 s LEU 187 CO -0.17 -0.04 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.82 2wa4 s LEU 188 N 1.09 2.05 -0.12 -0.68 1.02 -0.08 -2.02 118.68 119.95 2wa4 s LEU 188 Ca 0.20 -0.51 0.01 0.00 0.02 0.00 0.00 54.13 53.86 2wa4 s LEU 188 Cb -0.15 -1.34 0.02 0.00 0.02 0.00 0.00 46.19 44.74 2wa4 s LEU 188 CO 0.08 0.21 -0.15 -0.63 0.02 0.00 0.00 176.35 175.87 2wa4 s ILE 189 N 0.02 1.52 0.38 -0.59 1.01 -0.98 -1.07 121.20 121.48 2wa4 s ILE 189 Ca -0.08 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 59.96 2wa4 s ILE 189 Cb -0.15 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 2wa4 s ILE 189 CO 0.05 0.45 0.08 -0.83 0.00 0.00 0.00 174.94 174.69 2wa4 s GLY 190 N 1.09 2.39 0.08 6.18 0.00 0.11 -1.35 107.32 115.83 2wa4 s GLY 190 Ca -0.04 -1.58 0.07 0.00 0.00 0.00 0.00 44.72 43.17 2wa4 s GLY 190 CO -0.03 -1.87 -0.14 1.06 0.00 0.00 0.00 173.10 172.12 2wa4 s MET 191 N -3.82 2.05 0.30 2.90 -1.94 -1.25 -1.60 119.30 115.94 2wa4 s MET 191 Ca 0.28 -1.03 -0.28 0.00 -1.71 0.00 0.00 55.69 52.95 2wa4 s MET 191 Cb 0.06 -2.24 -0.14 0.00 2.01 0.00 0.00 34.83 34.52 2wa4 s MET 191 CO 0.14 0.52 1.11 -0.85 -0.01 0.00 0.00 175.02 175.92 2wa4 n GLU 192 N 1.02 1.59 0.00 2.03 0.28 -1.15 -2.04 120.64 122.37 2wa4 n GLU 192 Ca -0.15 0.56 0.00 0.00 -0.16 0.00 0.00 57.16 57.41 2wa4 n GLU 192 Cb 0.52 -2.00 0.00 0.00 1.43 0.00 0.00 31.44 31.39 2wa4 n GLU 192 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wa4 n GLY 193 N 1.14 3.10 3.71 -1.84 0.00 -0.87 -4.79 105.19 105.64 2wa4 n GLY 193 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2wa4 n GLY 193 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wa4 n ASN 194 N 0.00 3.50 -4.26 1.61 4.13 -0.87 -4.75 115.26 114.63 2wa4 n ASN 194 Ca 0.00 1.12 -0.32 0.00 1.68 0.00 0.00 54.58 57.06 2wa4 n ASN 194 Cb 0.00 -1.52 -0.16 0.00 -1.54 0.00 0.00 39.78 36.55 2wa4 n ASN 194 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2wa4 s VAL 195 N 0.40 2.14 -0.35 2.41 1.01 -0.55 -0.67 120.40 124.78 2wa4 s VAL 195 Ca 0.70 -1.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 2wa4 s VAL 195 Cb -0.56 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.05 2wa4 s VAL 195 CO 0.43 0.56 0.15 -0.89 0.00 0.00 0.00 175.10 175.35 2wa4 s THR 196 N 0.06 4.14 0.95 3.92 2.01 0.71 -1.89 115.64 125.53 2wa4 s THR 196 Ca -0.10 -0.99 -0.12 0.00 0.31 0.00 0.00 61.69 60.79 2wa4 s THR 196 Cb -0.16 -3.31 0.16 0.00 0.01 0.00 0.00 72.50 69.20 2wa4 s THR 196 CO 0.06 -0.19 1.11 -2.16 -0.69 0.00 0.00 174.62 172.75 2wa4 s PRO 197 N 1.47 0.84 0.15 4.92 0.04 -1.26 -1.72 135.00 139.45 2wa4 s PRO 197 Ca 0.00 0.47 -0.31 0.00 0.04 0.00 0.00 61.00 61.20 2wa4 s PRO 197 Cb -0.19 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 2wa4 s PRO 197 CO 0.04 -2.44 1.72 0.00 0.04 0.00 0.00 177.00 176.37 2wa4 s ALA 198 N -3.08 3.81 0.22 8.56 0.00 -1.25 -4.73 121.76 125.28 2wa4 s ALA 198 Ca 0.64 1.44 -0.10 0.00 0.00 0.00 0.00 51.96 53.95 2wa4 s ALA 198 Cb -0.17 -3.71 -0.01 0.00 0.00 0.00 0.00 23.12 19.23 2wa4 s ALA 198 CO 0.56 -1.03 0.37 -3.38 0.00 0.00 0.00 175.76 172.28 2wa4 s HIS 199 N 1.95 0.55 0.21 0.00 -3.43 -0.74 -1.82 115.29 112.01 2wa4 s HIS 199 Ca 0.76 -0.87 0.09 0.00 -0.80 0.00 0.00 55.06 54.24 2wa4 s HIS 199 Cb -0.46 -0.02 -0.05 0.00 -1.43 0.00 0.00 32.58 30.63 2wa4 s HIS 199 CO 0.33 -0.87 -0.18 1.52 -2.00 0.00 0.00 174.74 173.54 2wa4 s TYR 200 N -4.04 1.92 0.15 0.38 -0.85 -0.23 -0.69 117.35 113.99 2wa4 s TYR 200 Ca 0.25 -0.47 0.09 0.00 -0.52 0.00 0.00 57.07 56.43 2wa4 s TYR 200 Cb 0.02 -0.90 -0.04 0.00 0.38 0.00 0.00 41.96 41.41 2wa4 s TYR 200 CO 0.08 0.44 -0.20 0.34 -1.52 0.00 0.00 175.55 174.69 2wa4 s ASP 201 N -3.08 2.77 0.07 -0.18 -1.08 -1.26 -4.89 116.67 109.01 2wa4 s ASP 201 Ca 0.22 -0.81 0.25 0.00 -0.52 0.00 0.00 52.55 51.69 2wa4 s ASP 201 Cb -0.04 -0.17 0.59 0.00 -1.46 0.00 0.00 42.92 41.84 2wa4 s ASP 201 CO 0.09 0.02 1.49 -0.62 0.52 0.00 0.00 175.17 176.67 2wa4 n GLU 202 N 0.51 0.14 -3.79 4.34 1.02 -1.26 -0.48 120.64 121.13 2wa4 n GLU 202 Ca -0.15 0.06 -0.22 0.00 -0.02 0.00 0.00 57.16 56.83 2wa4 n GLU 202 Cb 0.56 -1.61 -0.02 0.00 -0.02 0.00 0.00 31.44 30.36 2wa4 n GLU 202 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2wa4 s GLN 203 N -3.08 3.45 0.11 3.49 -0.21 -1.26 -4.69 119.66 117.48 2wa4 s GLN 203 Ca 0.10 -0.63 -0.28 0.00 0.02 0.00 0.00 55.36 54.56 2wa4 s GLN 203 Cb 0.16 -2.82 -0.06 0.00 1.00 0.00 0.00 33.01 31.28 2wa4 s GLN 203 CO 0.67 0.35 0.89 -0.65 -2.12 0.00 0.00 175.29 174.43 2wa4 s GLN 204 N -4.07 4.65 -0.11 2.91 -1.52 -0.31 -3.77 119.66 117.45 2wa4 s GLN 204 Ca 0.36 1.33 0.00 0.00 -1.95 0.00 0.00 55.36 55.10 2wa4 s GLN 204 Cb -0.09 -3.35 0.02 0.00 -0.22 0.00 0.00 33.01 29.37 2wa4 s GLN 204 CO 0.31 0.30 -0.10 1.21 -0.25 0.00 0.00 175.29 176.75 2wa4 s ASN 205 N -0.25 2.20 -0.24 5.90 2.47 -0.72 -0.97 114.94 123.33 2wa4 s ASN 205 Ca 0.43 -0.35 -0.10 0.00 0.42 0.00 0.00 52.86 53.26 2wa4 s ASN 205 Cb -0.23 -0.92 -0.05 0.00 -1.45 0.00 0.00 41.25 38.60 2wa4 s ASN 205 CO 0.28 -0.06 0.16 -0.36 -3.72 0.00 0.00 177.10 173.40 2wa4 s PHE 206 N 1.37 3.30 -0.35 0.43 0.08 -0.44 -0.77 117.98 121.60 2wa4 s PHE 206 Ca -0.00 0.20 -0.07 0.00 0.12 0.00 0.00 56.93 57.17 2wa4 s PHE 206 Cb -0.14 -2.27 0.04 0.00 -0.57 0.00 0.00 43.02 40.08 2wa4 s PHE 206 CO -0.05 0.04 0.12 0.12 -0.10 0.00 0.00 175.22 175.35 2wa4 s PHE 207 N 1.12 3.26 -0.45 0.36 2.19 0.13 -1.00 117.98 123.58 2wa4 s PHE 207 Ca 0.07 -1.37 -0.10 0.00 0.33 0.00 0.00 56.93 55.87 2wa4 s PHE 207 Cb -0.14 -2.33 0.10 0.00 -1.31 0.00 0.00 43.02 39.35 2wa4 s PHE 207 CO 0.05 -0.72 0.32 0.00 1.83 0.00 0.00 175.22 176.69 2wa4 s ALA 208 N 1.42 3.37 0.28 11.12 0.00 0.73 -0.07 121.76 138.62 2wa4 s ALA 208 Ca -0.01 -2.35 -0.29 0.00 0.00 0.00 0.00 51.96 49.32 2wa4 s ALA 208 Cb -0.20 -2.78 -0.09 0.00 0.00 0.00 0.00 23.12 20.05 2wa4 s ALA 208 CO 0.03 -1.79 1.04 -1.14 0.00 0.00 0.00 175.76 173.90 2wa4 s GLN 209 N 1.42 4.64 0.04 0.00 2.00 -0.27 -1.34 119.66 126.16 2wa4 s GLN 209 Ca 0.04 1.66 0.00 0.00 -2.00 0.00 0.00 55.36 55.06 2wa4 s GLN 209 Cb -0.25 -3.12 0.00 0.00 0.80 0.00 0.00 33.01 30.44 2wa4 s GLN 209 CO 0.01 0.26 0.00 -0.89 -0.50 0.00 0.00 175.29 174.17 2wa4 n ILE 210 N 1.09 0.44 -3.95 -2.34 5.41 -0.75 -1.80 119.36 117.46 2wa4 n ILE 210 Ca -0.01 0.14 -0.12 0.00 1.00 0.00 0.00 62.75 63.77 2wa4 n ILE 210 Cb 0.46 -1.46 -0.13 0.00 -0.71 0.00 0.00 39.64 37.80 2wa4 n ILE 210 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2wa4 s LYS 211 N -2.00 0.16 0.44 0.38 2.20 -0.95 -4.43 119.74 115.55 2wa4 s LYS 211 Ca 0.00 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 2wa4 s LYS 211 Cb 0.00 -0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.25 2wa4 s LYS 211 CO 0.00 0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.41 2wa4 n GLY 212 N 2.69 -2.02 3.28 5.54 0.00 -1.25 -1.13 105.19 112.29 2wa4 n GLY 212 Ca -0.15 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 2wa4 n GLY 212 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wa4 s TYR 213 N -1.09 2.49 -0.07 1.61 1.51 -1.26 -3.81 117.35 116.73 2wa4 s TYR 213 Ca 0.00 -0.74 0.05 0.00 -1.01 0.00 0.00 57.07 55.37 2wa4 s TYR 213 Cb 0.00 -1.63 -0.00 0.00 -0.11 0.00 0.00 41.96 40.21 2wa4 s TYR 213 CO 0.00 -0.23 -0.22 0.15 -1.11 0.00 0.00 175.55 174.14 2wa4 s LYS 214 N -0.09 2.46 -0.23 -0.62 1.02 -0.28 -3.31 119.74 118.69 2wa4 s LYS 214 Ca -0.06 -0.81 -0.15 0.00 0.02 0.00 0.00 55.97 54.98 2wa4 s LYS 214 Cb -0.14 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.11 2wa4 s LYS 214 CO 0.04 0.28 0.37 0.50 -0.92 0.00 0.00 175.35 175.62 2wa4 s ARG 215 N 0.06 4.10 -0.23 1.68 3.52 0.11 -1.07 118.95 127.12 2wa4 s ARG 215 Ca -0.08 0.10 0.01 0.00 -0.13 0.00 0.00 55.73 55.63 2wa4 s ARG 215 Cb -0.15 -3.58 0.04 0.00 -1.56 0.00 0.00 34.95 29.70 2wa4 s ARG 215 CO 0.05 -0.13 -0.13 0.00 -0.81 0.00 0.00 175.30 174.29 2wa4 s ILE 217 N 1.23 4.58 0.13 0.00 1.01 0.32 -2.15 121.20 126.32 2wa4 s ILE 217 Ca -0.01 -0.11 0.10 0.00 0.00 0.00 0.00 60.65 60.63 2wa4 s ILE 217 Cb -0.17 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 2wa4 s ILE 217 CO -0.08 0.47 -0.25 -0.76 0.00 0.00 0.00 174.94 174.33 2wa4 s LEU 218 N 0.32 2.34 -0.01 2.97 1.02 0.10 -0.52 118.68 124.90 2wa4 s LEU 218 Ca 0.02 -0.76 0.00 0.00 0.02 0.00 0.00 54.13 53.41 2wa4 s LEU 218 Cb -0.13 -1.13 0.01 0.00 0.02 0.00 0.00 46.19 44.97 2wa4 s LEU 218 CO 0.01 0.14 0.01 -0.36 0.02 0.00 0.00 176.35 176.16 2wa4 s PHE 219 N -1.21 0.05 0.91 0.29 0.40 -0.63 -0.62 117.98 117.17 2wa4 s PHE 219 Ca 0.13 0.04 -0.12 0.00 -0.60 0.00 0.00 56.93 56.38 2wa4 s PHE 219 Cb -0.10 -0.12 0.13 0.00 0.51 0.00 0.00 43.02 43.45 2wa4 s PHE 219 CO 0.06 -0.04 1.13 -1.25 0.70 0.00 0.00 175.22 175.83 2wa4 s PRO 220 N 0.41 1.18 0.46 0.24 0.04 -1.26 -0.96 135.00 135.10 2wa4 s PRO 220 Ca -0.03 0.33 0.25 0.00 0.04 0.00 0.00 61.00 61.58 2wa4 s PRO 220 Cb -0.05 -1.84 1.27 0.00 0.04 0.00 0.00 34.50 33.91 2wa4 s PRO 220 CO -0.01 -2.18 1.82 -1.35 0.04 0.00 0.00 177.00 175.32 2wa4 h PRO 221 N -1.48 0.23 0.00 0.56 0.11 -1.94 -0.97 132.00 128.51 2wa4 h PRO 221 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2wa4 h PRO 221 Cb 1.33 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2wa4 h PRO 221 CO 0.62 0.15 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 2wa4 n ASP 222 N -4.44 0.00 -1.44 -2.05 5.68 -1.26 -2.29 116.55 110.74 2wa4 n ASP 222 Ca 0.23 -0.92 0.08 0.00 -0.50 0.00 0.00 54.79 53.69 2wa4 n ASP 222 Cb 0.94 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 41.24 2wa4 n ASP 222 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wa4 n GLN 223 N -0.94 3.40 -0.34 0.11 6.02 -0.37 -4.47 117.38 120.79 2wa4 n GLN 223 Ca 0.18 -2.53 0.14 0.00 -0.01 0.00 0.00 57.00 54.78 2wa4 n GLN 223 Cb 0.08 -1.82 0.28 0.00 1.02 0.00 0.00 30.24 29.81 2wa4 n GLN 223 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 2wa4 h PHE 224 N 3.65 -0.04 0.00 1.08 3.04 -1.65 -1.02 116.94 122.00 2wa4 h PHE 224 Ca 0.00 0.07 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 2wa4 h PHE 224 Cb 1.30 0.18 -0.00 0.00 2.56 0.00 0.00 35.95 39.99 2wa4 h PHE 224 CO 0.68 -0.42 -0.06 0.93 -2.02 0.00 0.00 178.31 177.42 2wa4 h GLU 225 N 0.02 0.00 0.00 1.11 5.08 -1.88 -2.10 114.58 116.81 2wa4 h GLU 225 Ca 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 2wa4 h GLU 225 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2wa4 h GLU 225 CO -0.90 0.06 -0.92 0.00 -1.00 0.00 0.00 179.01 176.24 2wa4 n LEU 227 N -2.35 0.06 -3.28 0.00 4.77 -0.84 -3.58 117.00 111.79 2wa4 n LEU 227 Ca 0.01 -0.06 -0.14 0.00 -0.03 0.00 0.00 56.01 55.80 2wa4 n LEU 227 Cb 0.49 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.63 2wa4 n LEU 227 CO 0.39 0.02 0.09 -1.22 -1.33 0.00 0.00 177.39 175.34 2wa4 n TYR 228 N -1.84 -2.51 -1.81 -1.77 4.01 -0.93 -3.82 117.16 108.48 2wa4 n TYR 228 Ca -0.02 0.87 -0.38 0.00 -0.16 0.00 0.00 57.90 58.21 2wa4 n TYR 228 Cb 0.30 -3.97 0.04 0.00 -0.31 0.00 0.00 39.34 35.39 2wa4 n TYR 228 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2wa4 s PRO 229 N -4.27 3.21 0.83 -0.72 0.04 -1.26 -0.85 135.00 131.97 2wa4 s PRO 229 Ca 0.32 2.22 -0.15 0.00 0.04 0.00 0.00 61.00 63.43 2wa4 s PRO 229 Cb -0.06 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 2wa4 s PRO 229 CO 0.77 -1.13 0.45 0.66 0.04 0.00 0.00 177.00 177.79 2wa4 n TYR 230 N -0.94 -1.16 -1.44 0.56 4.02 -0.88 -4.80 117.16 112.52 2wa4 n TYR 230 Ca 0.10 0.29 -0.35 0.00 -0.01 0.00 0.00 57.90 57.92 2wa4 n TYR 230 Cb 0.45 -1.85 0.10 0.00 -0.02 0.00 0.00 39.34 38.01 2wa4 n TYR 230 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2wa4 n PRO 231 N -1.09 0.68 -0.31 -0.72 -0.02 -1.26 -4.54 135.00 127.73 2wa4 n PRO 231 Ca 0.08 0.30 0.04 0.00 -2.02 0.00 0.00 63.50 61.90 2wa4 n PRO 231 Cb 0.52 -2.47 0.24 0.00 -0.02 0.00 0.00 33.50 31.76 2wa4 n PRO 231 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wa4 h VAL 232 N -0.13 1.06 0.00 -1.45 2.07 -1.95 -1.61 116.25 114.24 2wa4 h VAL 232 Ca -0.49 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.68 2wa4 h VAL 232 Cb 1.32 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2wa4 h VAL 232 CO 0.50 0.19 0.00 1.41 0.02 0.00 0.00 177.57 179.68 2wa4 n HIS 233 N -4.49 0.00 -2.53 1.57 8.25 -1.26 -4.64 115.22 112.11 2wa4 n HIS 233 Ca 0.14 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.23 2wa4 n HIS 233 Cb 0.21 -0.36 -0.04 0.00 1.12 0.00 0.00 29.99 30.91 2wa4 n HIS 233 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2wa4 s HIS 234 N -2.72 3.31 0.10 4.41 5.04 -0.60 -4.84 115.29 119.97 2wa4 s HIS 234 Ca 0.21 1.65 0.29 0.00 -1.54 0.00 0.00 55.06 55.67 2wa4 s HIS 234 Cb 0.18 -3.15 1.60 0.00 0.04 0.00 0.00 32.58 31.24 2wa4 s HIS 234 CO 0.43 -0.62 1.90 -1.35 -2.34 0.00 0.00 174.74 172.76 2wa4 h PRO 235 N 2.69 0.00 -0.58 2.88 0.11 -1.84 -1.31 132.00 133.96 2wa4 h PRO 235 Ca -0.48 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 2wa4 h PRO 235 Cb 1.21 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 2wa4 h PRO 235 CO 0.63 0.00 0.14 0.00 -0.21 0.00 0.00 178.00 178.56 2wa4 n ASP 237 N -0.18 0.06 0.00 0.00 2.03 -0.50 -1.59 116.55 116.37 2wa4 n ASP 237 Ca 0.34 0.84 0.00 0.00 0.52 0.00 0.00 54.79 56.49 2wa4 n ASP 237 Cb 1.23 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 2wa4 n ASP 237 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2wa4 n ARG 238 N 1.23 0.00 -3.61 -0.67 1.74 -1.26 -5.00 116.66 109.08 2wa4 n ARG 238 Ca 0.15 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.04 2wa4 n ARG 238 Cb 0.05 -1.87 -0.01 0.00 -1.02 0.00 0.00 32.46 29.61 2wa4 n ARG 238 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2wa4 s GLN 239 N -0.20 3.11 0.07 5.56 -0.21 -0.62 -1.06 119.66 126.31 2wa4 s GLN 239 Ca 0.00 -1.01 -0.12 0.00 0.02 0.00 0.00 55.36 54.24 2wa4 s GLN 239 Cb 0.00 -2.78 -0.06 0.00 1.00 0.00 0.00 33.01 31.17 2wa4 s GLN 239 CO 0.00 0.13 0.44 0.45 -2.12 0.00 0.00 175.29 174.19 2wa4 s SER 240 N -4.11 6.74 0.46 5.90 0.15 -0.75 -2.06 113.70 120.02 2wa4 s SER 240 Ca 0.42 0.92 0.27 0.00 0.70 0.00 0.00 55.95 58.26 2wa4 s SER 240 Cb -0.09 -2.23 0.75 0.00 -1.71 0.00 0.00 66.02 62.74 2wa4 s SER 240 CO 0.30 0.21 1.75 1.56 1.20 0.00 0.00 173.24 178.26 2wa4 h GLN 241 N 4.00 0.00 -6.23 5.44 4.20 -1.10 -3.45 115.11 117.98 2wa4 h GLN 241 Ca -0.50 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 57.65 2wa4 h GLN 241 Cb 1.20 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.94 2wa4 h GLN 241 CO 0.65 0.00 0.68 0.08 -0.67 0.00 0.00 178.83 179.57 2wa4 s VAL 242 N -3.37 4.58 -0.56 -0.54 1.01 -1.26 -4.97 120.40 115.29 2wa4 s VAL 242 Ca 0.05 1.87 -0.28 0.00 0.00 0.00 0.00 61.98 63.63 2wa4 s VAL 242 Cb 0.07 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.26 2wa4 s VAL 242 CO 0.61 -0.05 1.46 -0.62 0.00 0.00 0.00 175.10 176.50 2wa4 s ASP 243 N 1.30 6.06 0.43 3.32 -1.08 -1.26 -4.92 116.67 120.53 2wa4 s ASP 243 Ca 0.50 0.30 0.14 0.00 -0.52 0.00 0.00 52.55 52.97 2wa4 s ASP 243 Cb -0.20 -2.54 1.03 0.00 -1.46 0.00 0.00 42.92 39.75 2wa4 s ASP 243 CO 0.16 -1.76 1.98 -0.26 0.52 0.00 0.00 175.17 175.81 2wa4 h PHE 244 N 11.37 0.44 0.00 -5.34 -1.00 -1.98 0.72 116.94 121.16 2wa4 h PHE 244 Ca -0.27 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.52 2wa4 h PHE 244 Cb 1.10 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.52 2wa4 h PHE 244 CO 1.04 0.21 0.00 -0.44 -1.61 0.00 0.00 178.31 177.50 2wa4 h ASP 245 N 0.41 0.00 -0.03 2.17 3.32 -1.91 -3.40 116.42 116.98 2wa4 h ASP 245 Ca 0.28 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.12 2wa4 h ASP 245 Cb 0.56 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.97 2wa4 h ASP 245 CO -0.08 0.00 -0.48 -3.20 -1.72 0.00 0.00 179.24 173.77 2wa4 n ASN 246 N -2.35 -2.88 -4.72 6.45 5.15 0.17 -5.12 115.26 111.96 2wa4 n ASN 246 Ca 0.04 -3.25 -0.42 0.00 -0.60 0.00 0.00 54.58 50.35 2wa4 n ASN 246 Cb 0.33 1.80 -0.03 0.00 -0.53 0.00 0.00 39.78 41.36 2wa4 n ASN 246 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2wa4 s PRO 247 N 0.69 4.34 -1.02 1.20 0.02 -0.70 -4.67 135.00 134.86 2wa4 s PRO 247 Ca 0.32 2.05 -0.20 0.00 0.02 0.00 0.00 61.00 63.18 2wa4 s PRO 247 Cb 0.22 -3.25 0.10 0.00 0.02 0.00 0.00 34.50 31.59 2wa4 s PRO 247 CO -0.24 -0.40 1.33 0.34 -0.33 0.00 0.00 177.00 177.71 2wa4 s ASP 248 N 1.01 6.63 0.55 2.53 -1.08 -1.26 -4.87 116.67 120.18 2wa4 s ASP 248 Ca 0.63 -1.92 0.36 0.00 -0.52 0.00 0.00 52.55 51.10 2wa4 s ASP 248 Cb -0.36 -2.48 1.97 0.00 -1.46 0.00 0.00 42.92 40.59 2wa4 s ASP 248 CO 0.31 -1.23 2.11 1.88 0.52 0.00 0.00 175.17 178.76 2wa4 h TYR 249 N 8.98 0.00 -0.08 -5.34 0.05 -1.93 0.96 116.97 119.61 2wa4 h TYR 249 Ca 0.21 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.85 2wa4 h TYR 249 Cb 0.99 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.74 2wa4 h TYR 249 CO 1.23 0.00 -0.52 0.93 -1.05 0.00 0.00 178.16 178.75 2wa4 h GLU 250 N 0.00 0.50 0.00 4.88 5.08 -1.95 -3.04 114.58 120.04 2wa4 h GLU 250 Ca 0.00 -0.42 -0.20 0.00 -1.00 0.00 0.00 59.36 57.74 2wa4 h GLU 250 Cb 0.04 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2wa4 h GLU 250 CO 0.00 1.06 -1.29 0.00 -1.00 0.00 0.00 179.01 177.77 2wa4 h ARG 251 N 0.07 0.00 -2.01 2.33 3.08 -1.85 -3.39 114.38 112.61 2wa4 h ARG 251 Ca -0.04 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.43 2wa4 h ARG 251 Cb 1.17 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.81 2wa4 h ARG 251 CO 0.11 0.47 -0.70 1.19 -1.07 0.00 0.00 179.97 179.97 2wa4 n PHE 252 N -3.04 3.69 -0.06 3.04 3.72 0.28 -4.95 117.46 120.14 2wa4 n PHE 252 Ca -0.08 -3.69 0.06 0.00 -0.05 0.00 0.00 57.45 53.69 2wa4 n PHE 252 Cb 0.89 -0.35 0.43 0.00 -0.94 0.00 0.00 39.48 39.51 2wa4 n PHE 252 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wa4 h PRO 253 N 2.85 0.55 0.00 -1.08 0.13 -1.73 -0.01 132.00 132.71 2wa4 h PRO 253 Ca 0.18 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2wa4 h PRO 253 Cb 0.66 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2wa4 h PRO 253 CO 0.81 0.36 0.00 0.09 -0.23 0.00 0.00 178.00 179.04 2wa4 n ASN 254 N -4.47 0.00 0.23 1.44 4.13 -1.26 -2.58 115.26 112.74 2wa4 n ASN 254 Ca 0.06 -1.01 0.09 0.00 1.68 0.00 0.00 54.58 55.41 2wa4 n ASN 254 Cb 0.16 0.00 0.55 0.00 -1.54 0.00 0.00 39.78 38.95 2wa4 n ASN 254 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2wa4 h PHE 255 N 0.00 0.00 -0.31 3.10 3.57 -1.04 -1.04 116.94 121.22 2wa4 h PHE 255 Ca 0.00 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 2wa4 h PHE 255 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2wa4 h PHE 255 CO 0.00 0.22 0.49 1.96 -2.23 0.00 0.00 178.31 178.75 2wa4 h GLN 256 N 0.00 0.00 -0.52 1.11 4.20 -1.69 -2.58 115.11 115.64 2wa4 h GLN 256 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wa4 h GLN 256 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2wa4 h GLN 256 CO 0.03 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.28 2wa4 n ASN 257 N -3.38 4.79 -4.78 1.46 4.13 -0.39 -5.01 115.26 112.08 2wa4 n ASN 257 Ca 0.05 -2.71 -0.39 0.00 1.68 0.00 0.00 54.58 53.21 2wa4 n ASN 257 Cb 0.62 -0.58 -0.06 0.00 -1.54 0.00 0.00 39.78 38.22 2wa4 n ASN 257 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2wa4 s VAL 258 N -2.32 4.53 -0.04 2.41 0.11 -0.97 -5.05 120.40 119.06 2wa4 s VAL 258 Ca 0.48 1.57 0.02 0.00 -2.93 0.00 0.00 61.98 61.13 2wa4 s VAL 258 Cb 0.35 -4.08 0.01 0.00 -1.53 0.00 0.00 36.38 31.13 2wa4 s VAL 258 CO 0.18 0.50 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.65 2wa4 s VAL 259 N -0.91 0.95 0.46 2.04 1.01 -1.26 -4.30 120.40 118.39 2wa4 s VAL 259 Ca 0.35 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.96 2wa4 s VAL 259 Cb -0.22 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2wa4 s VAL 259 CO 0.24 0.30 0.09 -0.83 0.00 0.00 0.00 175.10 174.90 2wa4 s GLY 260 N 0.43 2.63 -0.04 4.51 0.00 -0.95 -4.78 107.32 109.12 2wa4 s GLY 260 Ca -0.08 -1.49 0.07 0.00 0.00 0.00 0.00 44.72 43.22 2wa4 s GLY 260 CO 0.02 -2.07 -0.25 -0.19 0.00 0.00 0.00 173.10 170.61 2wa4 s TYR 261 N -2.75 2.41 0.03 1.90 2.02 0.21 -1.78 117.35 119.39 2wa4 s TYR 261 Ca 0.26 -0.59 -0.03 0.00 -0.37 0.00 0.00 57.07 56.35 2wa4 s TYR 261 Cb 0.04 -1.56 -0.02 0.00 -0.40 0.00 0.00 41.96 40.02 2wa4 s TYR 261 CO 0.14 -0.13 0.03 -2.00 -1.57 0.00 0.00 175.55 172.02 2wa4 s GLU 262 N -0.36 0.49 0.10 -0.62 2.12 0.26 0.00 118.70 120.70 2wa4 s GLU 262 Ca 0.02 -0.79 -0.25 0.00 0.36 0.00 0.00 54.97 54.32 2wa4 s GLU 262 Cb -0.12 0.18 0.08 0.00 0.26 0.00 0.00 34.13 34.53 2wa4 s GLU 262 CO 0.02 -0.10 0.71 -0.08 -0.54 0.00 0.00 175.26 175.27 2wa4 s THR 263 N -2.43 0.00 -0.27 -1.70 -1.32 -0.92 -1.53 115.64 107.48 2wa4 s THR 263 Ca -0.07 -0.03 -0.00 0.00 -1.21 0.00 0.00 61.69 60.38 2wa4 s THR 263 Cb -0.03 -1.04 0.05 0.00 -1.51 0.00 0.00 72.50 69.97 2wa4 s THR 263 CO -0.04 0.00 -0.06 -0.69 -2.21 0.00 0.00 174.62 171.62 2wa4 s VAL 264 N -3.52 2.67 0.14 5.08 1.01 -1.26 -1.62 120.40 122.91 2wa4 s VAL 264 Ca 0.03 -1.36 -0.13 0.00 0.00 0.00 0.00 61.98 60.52 2wa4 s VAL 264 Cb -0.01 -2.49 -0.07 0.00 0.00 0.00 0.00 36.38 33.82 2wa4 s VAL 264 CO -0.11 0.02 0.52 0.68 0.00 0.00 0.00 175.10 176.21 2wa4 s VAL 265 N 1.22 4.91 0.28 2.92 -7.23 -0.23 -4.90 120.40 117.37 2wa4 s VAL 265 Ca -0.05 0.71 0.03 0.00 -1.81 0.00 0.00 61.98 60.87 2wa4 s VAL 265 Cb -0.19 -3.70 -0.01 0.00 0.56 0.00 0.00 36.38 33.04 2wa4 s VAL 265 CO -0.04 0.21 0.10 0.61 -0.31 0.00 0.00 175.10 175.68 2wa4 n GLY 266 N 0.71 3.51 3.63 2.32 0.00 -1.26 -1.13 105.19 112.96 2wa4 n GLY 266 Ca -0.05 -2.05 -0.45 0.00 0.00 0.00 0.00 46.02 43.47 2wa4 n GLY 266 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wa4 n PRO 267 N -0.62 1.64 -0.27 1.61 -0.02 -1.25 -1.16 135.00 134.92 2wa4 n PRO 267 Ca -0.04 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2wa4 n PRO 267 Cb 0.42 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2wa4 n PRO 267 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wa4 n GLY 268 N 1.44 2.45 3.81 -1.23 0.00 -0.74 -4.95 105.19 105.97 2wa4 n GLY 268 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2wa4 n GLY 268 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wa4 s ASP 269 N -3.73 7.06 -0.18 1.61 1.01 -0.31 -4.46 116.67 117.67 2wa4 s ASP 269 Ca 0.00 1.52 0.01 0.00 0.71 0.00 0.00 52.55 54.79 2wa4 s ASP 269 Cb 0.00 -2.46 0.03 0.00 1.01 0.00 0.00 42.92 41.50 2wa4 s ASP 269 CO 0.00 -0.08 -0.16 -0.69 0.21 0.00 0.00 175.17 174.45 2wa4 s VAL 270 N -1.71 1.88 -0.16 -1.27 1.01 -0.65 -1.11 120.40 118.39 2wa4 s VAL 270 Ca 0.49 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 2wa4 s VAL 270 Cb -0.15 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 2wa4 s VAL 270 CO 0.20 0.40 0.30 -0.22 0.00 0.00 0.00 175.10 175.78 2wa4 s LEU 271 N 1.34 4.25 -0.32 3.92 2.96 0.90 -0.79 118.68 130.94 2wa4 s LEU 271 Ca 0.03 0.52 -0.19 0.00 -0.22 0.00 0.00 54.13 54.26 2wa4 s LEU 271 Cb -0.14 -2.38 -0.01 0.00 0.50 0.00 0.00 46.19 44.16 2wa4 s LEU 271 CO -0.11 0.10 0.59 -0.47 -1.32 0.00 0.00 176.35 175.14 2wa4 s TYR 272 N 0.46 3.20 -0.43 5.38 5.04 -0.85 -0.70 117.35 129.45 2wa4 s TYR 272 Ca 0.17 0.45 -0.12 0.00 -2.44 0.00 0.00 57.07 55.13 2wa4 s TYR 272 Cb -0.13 -2.97 0.07 0.00 0.35 0.00 0.00 41.96 39.28 2wa4 s TYR 272 CO 0.04 -0.49 0.31 0.42 -1.34 0.00 0.00 175.55 174.49 2wa4 s ILE 273 N 2.54 4.70 0.61 3.14 1.01 0.05 -3.72 121.20 129.52 2wa4 s ILE 273 Ca 0.23 -1.18 -0.16 0.00 0.00 0.00 0.00 60.65 59.54 2wa4 s ILE 273 Cb -0.15 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 2wa4 s ILE 273 CO 0.12 -0.50 1.08 -2.84 0.00 0.00 0.00 174.94 172.81 2wa4 s PRO 274 N 1.53 3.16 0.30 2.79 0.02 -1.26 -1.75 135.00 139.80 2wa4 s PRO 274 Ca 0.03 1.31 -0.30 0.00 0.02 0.00 0.00 61.00 62.07 2wa4 s PRO 274 Cb -0.23 -2.00 -0.11 0.00 0.02 0.00 0.00 34.50 32.17 2wa4 s PRO 274 CO 0.05 -0.95 1.60 0.00 -0.33 0.00 0.00 177.00 177.37 2wa4 n MET 275 N -2.05 2.75 -0.81 5.54 0.00 -1.25 -2.27 117.12 119.02 2wa4 n MET 275 Ca 0.10 0.98 0.00 0.00 0.00 0.00 0.00 57.70 58.77 2wa4 n MET 275 Cb 0.52 -2.76 0.00 0.00 0.00 0.00 0.00 33.22 30.98 2wa4 n MET 275 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2wa4 n TYR 276 N 2.07 0.00 -3.03 3.17 4.01 0.37 -4.97 117.16 118.79 2wa4 n TYR 276 Ca 0.08 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.42 2wa4 n TYR 276 Cb 0.37 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.35 2wa4 n TYR 276 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2wa4 s TRP 277 N -2.75 3.60 0.35 -0.72 0.52 -0.96 -4.07 118.94 114.90 2wa4 s TRP 277 Ca 0.00 1.29 -0.28 0.00 0.02 0.00 0.00 56.10 57.13 2wa4 s TRP 277 Cb 0.00 -2.81 -0.10 0.00 -1.15 0.00 0.00 33.47 29.40 2wa4 s TRP 277 CO 0.00 0.11 1.34 -1.58 0.02 0.00 0.00 176.95 176.84 2wa4 s TRP 278 N 0.69 2.94 0.01 -1.98 0.52 -0.14 -4.46 118.94 116.53 2wa4 s TRP 278 Ca 0.38 1.37 0.01 0.00 0.02 0.00 0.00 56.10 57.88 2wa4 s TRP 278 Cb -0.18 -3.74 -0.01 0.00 -1.15 0.00 0.00 33.47 28.40 2wa4 s TRP 278 CO 0.19 -2.07 -0.03 -3.38 0.02 0.00 0.00 176.95 171.67 2wa4 s HIS 279 N -1.15 0.28 -0.12 -1.98 -3.43 0.13 -1.61 115.29 107.41 2wa4 s HIS 279 Ca 0.50 -0.15 0.03 0.00 -0.80 0.00 0.00 55.06 54.64 2wa4 s HIS 279 Cb -0.41 -0.18 0.01 0.00 -1.43 0.00 0.00 32.58 30.57 2wa4 s HIS 279 CO 0.54 -0.03 -0.21 -1.58 -2.00 0.00 0.00 174.74 171.45 2wa4 s HIS 280 N -0.37 2.51 -0.10 0.38 5.04 0.32 -1.79 115.29 121.28 2wa4 s HIS 280 Ca -0.02 -1.19 0.00 0.00 -1.54 0.00 0.00 55.06 52.31 2wa4 s HIS 280 Cb -0.03 -1.71 0.02 0.00 0.04 0.00 0.00 32.58 30.90 2wa4 s HIS 280 CO -0.00 -0.53 -0.09 0.42 -2.34 0.00 0.00 174.74 172.20 2wa4 s ILE 281 N 0.71 1.04 -0.00 0.89 1.01 -0.70 -0.52 121.20 123.63 2wa4 s ILE 281 Ca -0.10 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.22 2wa4 s ILE 281 Cb -0.16 -1.03 -0.00 0.00 0.01 0.00 0.00 42.46 41.27 2wa4 s ILE 281 CO 0.01 0.36 -0.02 -1.83 0.00 0.00 0.00 174.94 173.46 2wa4 s GLU 282 N 1.43 0.18 -0.00 2.79 -1.05 -0.14 -0.21 118.70 121.69 2wa4 s GLU 282 Ca -0.00 -0.09 -0.29 0.00 -0.15 0.00 0.00 54.97 54.44 2wa4 s GLU 282 Cb -0.13 -0.16 -0.03 0.00 -0.44 0.00 0.00 34.13 33.36 2wa4 s GLU 282 CO -0.05 0.04 0.93 -1.12 0.95 0.00 0.00 175.26 176.01 2wa4 s SER 283 N -0.09 7.31 0.72 0.83 0.01 0.16 0.05 113.70 122.69 2wa4 s SER 283 Ca 0.00 1.58 -0.16 0.00 1.31 0.00 0.00 55.95 58.68 2wa4 s SER 283 Cb -0.01 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.61 2wa4 s SER 283 CO -0.00 -0.22 0.32 0.18 0.41 0.00 0.00 173.24 173.93 2wa4 n LEU 284 N 3.80 -0.41 -4.66 2.44 4.77 -1.21 -2.59 117.00 119.14 2wa4 n LEU 284 Ca 0.04 0.56 -0.42 0.00 -0.03 0.00 0.00 56.01 56.16 2wa4 n LEU 284 Cb 0.51 -1.13 -0.03 0.00 -2.33 0.00 0.00 43.42 40.45 2wa4 n LEU 284 CO 0.51 -3.61 1.27 -0.76 -1.33 0.00 0.00 177.39 173.47 2wa4 s LEU 285 N 1.20 4.27 -1.16 2.23 1.43 -0.76 -2.05 118.68 123.84 2wa4 s LEU 285 Ca 0.62 2.04 -0.02 0.00 -1.03 0.00 0.00 54.13 55.74 2wa4 s LEU 285 Cb -0.35 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.34 2wa4 s LEU 285 CO 0.61 -0.86 0.98 0.59 0.23 0.00 0.00 176.35 177.90 2wa4 n ASN 286 N 6.92 -3.09 -0.74 2.29 5.03 -1.26 -4.71 115.26 119.69 2wa4 n ASN 286 Ca 0.16 -0.56 0.08 0.00 0.87 0.00 0.00 54.58 55.13 2wa4 n ASN 286 Cb 0.43 -4.82 0.12 0.00 -1.02 0.00 0.00 39.78 34.49 2wa4 n ASN 286 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wa4 n GLY 287 N -1.33 0.97 4.53 7.41 0.00 -1.25 -5.11 105.19 110.40 2wa4 n GLY 287 Ca -0.20 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2wa4 n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wa4 n GLY 288 N 0.94 -1.60 3.87 -0.02 0.00 -1.26 -4.94 105.19 102.18 2wa4 n GLY 288 Ca 0.12 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 2wa4 n GLY 288 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wa4 s ILE 289 N 0.00 4.82 -0.01 -0.61 -4.36 -1.26 -2.95 121.20 116.83 2wa4 s ILE 289 Ca 0.00 0.62 0.05 0.00 -0.26 0.00 0.00 60.65 61.06 2wa4 s ILE 289 Cb 0.00 -3.66 -0.03 0.00 1.25 0.00 0.00 42.46 40.02 2wa4 s ILE 289 CO 0.00 -0.28 -0.16 0.42 0.24 0.00 0.00 174.94 175.16 2wa4 s THR 290 N -2.08 2.95 -0.03 8.37 -4.23 -0.63 -3.93 115.64 116.06 2wa4 s THR 290 Ca 0.50 -0.91 0.06 0.00 -1.18 0.00 0.00 61.69 60.17 2wa4 s THR 290 Cb -0.11 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.54 2wa4 s THR 290 CO 0.24 0.49 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.98 2wa4 s ILE 291 N -0.81 1.65 -0.01 2.99 1.01 -0.29 0.05 121.20 125.80 2wa4 s ILE 291 Ca 0.13 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 59.84 2wa4 s ILE 291 Cb -0.11 -1.39 0.00 0.00 0.01 0.00 0.00 42.46 40.98 2wa4 s ILE 291 CO 0.03 0.47 0.12 -0.89 0.00 0.00 0.00 174.94 174.67 2wa4 s THR 292 N -0.35 0.07 -0.08 2.92 2.01 -0.23 -1.81 115.64 118.17 2wa4 s THR 292 Ca 0.04 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.53 2wa4 s THR 292 Cb -0.09 -0.36 0.01 0.00 0.01 0.00 0.00 72.50 72.06 2wa4 s THR 292 CO 0.00 -0.30 -0.18 -0.69 -0.69 0.00 0.00 174.62 172.76 2wa4 s VAL 293 N -1.05 1.56 0.04 3.82 1.01 -0.45 -0.90 120.40 124.44 2wa4 s VAL 293 Ca -0.11 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.15 2wa4 s VAL 293 Cb -0.06 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2wa4 s VAL 293 CO 0.01 0.45 0.04 0.20 0.00 0.00 0.00 175.10 175.80 2wa4 s ASN 294 N 0.43 5.33 -0.08 3.32 0.01 -0.52 -0.19 114.94 123.24 2wa4 s ASN 294 Ca -0.15 -0.01 0.05 0.00 -0.71 0.00 0.00 52.86 52.04 2wa4 s ASN 294 Cb -0.16 -1.41 -0.00 0.00 0.41 0.00 0.00 41.25 40.09 2wa4 s ASN 294 CO 0.06 0.23 -0.22 -0.36 -1.51 0.00 0.00 177.10 175.29 2wa4 s PHE 295 N -1.24 2.33 -0.05 2.20 0.40 -0.17 -2.02 117.98 119.43 2wa4 s PHE 295 Ca 0.24 -0.84 0.06 0.00 -0.60 0.00 0.00 56.93 55.79 2wa4 s PHE 295 Cb -0.12 -1.56 -0.01 0.00 0.51 0.00 0.00 43.02 41.85 2wa4 s PHE 295 CO 0.16 -0.32 -0.23 -1.58 0.70 0.00 0.00 175.22 173.96 2wa4 s TRP 296 N 0.18 2.19 0.02 0.36 0.51 -0.71 -1.33 118.94 120.17 2wa4 s TRP 296 Ca -0.12 -0.62 0.07 0.00 -2.12 0.00 0.00 56.10 53.31 2wa4 s TRP 296 Cb -0.16 -1.44 -0.02 0.00 -0.81 0.00 0.00 33.47 31.04 2wa4 s TRP 296 CO 0.06 -0.18 -0.20 0.71 -0.51 0.00 0.00 176.95 176.83 2wa4 s TYR 297 N -0.15 1.76 0.42 -1.98 1.51 -0.15 -0.29 117.35 118.47 2wa4 s TYR 297 Ca -0.02 -0.36 -0.26 0.00 -1.01 0.00 0.00 57.07 55.42 2wa4 s TYR 297 Cb -0.13 -1.07 -0.08 0.00 -0.11 0.00 0.00 41.96 40.57 2wa4 s TYR 297 CO 0.03 0.05 1.32 0.15 -1.11 0.00 0.00 175.55 175.99 2wa4 s LYS 298 N -0.95 3.89 1.01 -0.62 1.02 -1.24 -1.16 119.74 121.70 2wa4 s LYS 298 Ca 0.07 2.19 -0.14 0.00 0.02 0.00 0.00 55.97 58.11 2wa4 s LYS 298 Cb -0.08 -2.72 0.19 0.00 -0.52 0.00 0.00 37.83 34.71 2wa4 s LYS 298 CO 0.01 -0.57 1.14 0.20 -0.92 0.00 0.00 175.35 175.21 2wa4 s GLY 299 N -0.72 1.59 0.48 -3.33 0.00 -1.26 -1.11 107.32 102.97 2wa4 s GLY 299 Ca 0.58 -0.65 -0.23 0.00 0.00 0.00 0.00 44.72 44.42 2wa4 s GLY 299 CO 0.50 0.03 1.30 0.00 0.00 0.00 0.00 173.10 174.92 2wa4 s ALA 300 N -3.18 3.01 0.71 3.20 0.00 -1.25 -3.84 121.76 120.40 2wa4 s ALA 300 Ca 0.67 1.22 -0.11 0.00 0.00 0.00 0.00 51.96 53.74 2wa4 s ALA 300 Cb -0.14 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.49 2wa4 s ALA 300 CO 0.55 -1.03 1.07 -2.14 0.00 0.00 0.00 175.76 174.21 2wa4 s PRO 301 N -2.64 2.86 0.17 0.00 0.02 -1.26 -5.01 135.00 129.13 2wa4 s PRO 301 Ca 0.65 0.74 -0.30 0.00 0.02 0.00 0.00 61.00 62.10 2wa4 s PRO 301 Cb -0.37 -2.00 -0.08 0.00 0.02 0.00 0.00 34.50 32.07 2wa4 s PRO 301 CO 0.46 -1.10 1.23 0.99 -0.33 0.00 0.00 177.00 178.24 2wa4 s THR 302 N -3.16 3.56 0.00 0.99 2.01 -1.26 -5.18 115.64 112.60 2wa4 s THR 302 Ca 0.58 1.27 0.00 0.00 0.31 0.00 0.00 61.69 63.85 2wa4 s THR 302 Cb -0.13 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2wa4 s THR 302 CO 0.54 0.18 0.06 -2.65 -0.69 0.00 0.00 174.62 172.06 2wa4 n PRO 303 N 2.79 0.00 0.00 4.92 -0.02 -1.26 -5.32 135.00 136.11 2wa4 n PRO 303 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2wa4 n PRO 303 Cb 0.44 -0.45 0.00 0.00 -0.02 0.00 0.00 33.50 33.47 2wa4 n PRO 303 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wa4 n GLU 307 N -0.07 0.00 -0.44 -0.52 4.07 -1.26 -5.36 120.64 117.06 2wa4 n GLU 307 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2wa4 n GLU 307 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2wa4 n GLU 307 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2wa4 n TYR 308 N 0.00 -1.36 -3.08 4.31 4.01 -1.26 -4.83 117.16 114.95 2wa4 n TYR 308 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.43 2wa4 n TYR 308 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 38.98 2wa4 n TYR 308 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 2wa4 s PRO 309 N 0.68 3.85 0.22 -0.72 0.02 -1.26 -5.02 135.00 132.77 2wa4 s PRO 309 Ca 0.00 0.47 -0.30 0.00 0.02 0.00 0.00 61.00 61.19 2wa4 s PRO 309 Cb 0.00 -2.47 -0.09 0.00 0.02 0.00 0.00 34.50 31.97 2wa4 s PRO 309 CO 0.00 0.11 1.12 -0.51 -0.33 0.00 0.00 177.00 177.38 2wa4 s LEU 310 N -3.36 4.51 0.69 -5.54 1.02 -1.26 -5.05 118.68 109.69 2wa4 s LEU 310 Ca 0.51 2.20 -0.12 0.00 0.02 0.00 0.00 54.13 56.74 2wa4 s LEU 310 Cb -0.10 -3.61 0.01 0.00 0.02 0.00 0.00 46.19 42.50 2wa4 s LEU 310 CO 0.25 -0.21 1.06 -0.54 0.02 0.00 0.00 176.35 176.93 2wa4 s LYS 311 N -0.82 2.92 0.22 1.70 1.02 -1.26 -4.90 119.74 118.62 2wa4 s LYS 311 Ca 0.48 1.03 -0.09 0.00 0.02 0.00 0.00 55.97 57.41 2wa4 s LYS 311 Cb -0.31 -1.99 0.21 0.00 -0.52 0.00 0.00 37.83 35.22 2wa4 s LYS 311 CO 0.38 -1.12 1.88 0.00 -0.92 0.00 0.00 175.35 175.57 2wa4 h ALA 312 N -0.57 1.04 0.00 5.17 0.00 -1.96 -1.36 119.26 121.58 2wa4 h ALA 312 Ca -0.44 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2wa4 h ALA 312 Cb 1.21 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2wa4 h ALA 312 CO 0.56 0.37 -0.15 1.12 0.00 0.00 0.00 179.25 181.16 2wa4 h HIS 313 N 1.04 0.00 -0.05 0.00 2.07 -1.92 -1.02 115.15 115.27 2wa4 h HIS 313 Ca 0.31 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.63 2wa4 h HIS 313 Cb -0.05 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.93 2wa4 h HIS 313 CO -0.02 0.15 -0.81 1.96 -3.07 0.00 0.00 177.93 176.14 2wa4 h GLN 314 N 0.00 0.38 0.00 5.12 4.20 -1.63 -2.43 115.11 120.76 2wa4 h GLN 314 Ca -0.00 -0.35 -0.06 0.00 0.06 0.00 0.00 58.65 58.30 2wa4 h GLN 314 Cb 0.27 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2wa4 h GLN 314 CO 0.02 1.01 -0.30 0.87 -0.67 0.00 0.00 178.83 179.76 2wa4 h LYS 315 N 0.24 0.00 -0.14 1.46 1.57 -0.91 -2.36 116.57 116.43 2wa4 h LYS 315 Ca -0.05 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 2wa4 h LYS 315 Cb 1.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.71 2wa4 h LYS 315 CO 0.14 0.30 -0.14 0.28 -0.57 0.00 0.00 179.45 179.46 2wa4 h VAL 316 N 0.00 1.35 -0.83 0.50 2.07 -0.75 -2.58 116.25 116.00 2wa4 h VAL 316 Ca -0.00 -1.29 0.07 0.00 0.82 0.00 0.00 66.70 66.29 2wa4 h VAL 316 Cb 0.79 1.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.40 2wa4 h VAL 316 CO 0.04 0.38 0.54 0.00 0.02 0.00 0.00 177.57 178.55 2wa4 h ALA 317 N 0.60 1.61 -0.34 1.67 0.00 -1.39 -0.44 119.26 120.97 2wa4 h ALA 317 Ca 0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2wa4 h ALA 317 Cb 0.66 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2wa4 h ALA 317 CO 0.03 0.26 -0.16 0.82 0.00 0.00 0.00 179.25 180.19 2wa4 h ILE 318 N 0.90 1.26 -0.23 0.00 2.04 -1.33 -1.39 117.51 118.75 2wa4 h ILE 318 Ca 0.36 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 2wa4 h ILE 318 Cb 0.26 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2wa4 h ILE 318 CO -0.13 0.39 0.05 0.24 0.00 0.00 0.00 178.15 178.70 2wa4 h MET 319 N 0.56 0.36 -0.36 2.37 2.86 -0.70 -1.21 114.93 118.82 2wa4 h MET 319 Ca 0.09 -0.09 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 2wa4 h MET 319 Cb 0.60 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.17 2wa4 h MET 319 CO 0.04 0.48 0.06 0.00 1.06 0.00 0.00 176.91 178.55 2wa4 h ARG 320 N 0.18 0.17 -0.71 1.72 3.08 -1.23 -1.62 114.38 115.96 2wa4 h ARG 320 Ca 0.07 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 2wa4 h ARG 320 Cb 0.29 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 2wa4 h ARG 320 CO 0.00 0.11 0.20 -0.91 -1.07 0.00 0.00 179.97 178.30 2wa4 h ASN 321 N 0.17 1.05 -0.16 7.04 4.21 -1.01 -0.03 115.58 126.86 2wa4 h ASN 321 Ca 0.17 -0.21 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 2wa4 h ASN 321 Cb 0.20 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.12 2wa4 h ASN 321 CO -0.24 0.99 0.06 0.40 -1.29 0.00 0.00 177.43 177.35 2wa4 h ILE 322 N 1.07 1.16 -0.60 2.81 1.08 -0.85 0.36 117.51 122.53 2wa4 h ILE 322 Ca 0.23 -0.47 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 2wa4 h ILE 322 Cb 0.33 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 35.23 2wa4 h ILE 322 CO -0.00 0.15 0.33 -0.33 -0.69 0.00 0.00 178.15 177.60 2wa4 h GLU 323 N 0.09 0.82 -0.13 2.37 5.08 -0.93 -1.05 114.58 120.83 2wa4 h GLU 323 Ca 0.05 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2wa4 h GLU 323 Cb 0.18 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2wa4 h GLU 323 CO -0.00 0.61 -0.12 0.87 -1.00 0.00 0.00 179.01 179.36 2wa4 h LYS 324 N 0.83 0.31 -0.55 2.33 1.57 -0.73 -2.68 116.57 117.65 2wa4 h LYS 324 Ca 0.21 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2wa4 h LYS 324 Cb 0.02 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 2wa4 h LYS 324 CO -0.03 0.71 0.36 0.52 -0.57 0.00 0.00 179.45 180.43 2wa4 h MET 325 N -0.07 0.72 -0.29 3.15 2.86 -0.60 -2.61 114.93 118.10 2wa4 h MET 325 Ca 0.02 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 2wa4 h MET 325 Cb 0.65 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2wa4 h MET 325 CO 0.03 0.48 -0.21 1.25 1.06 0.00 0.00 176.91 179.52 2wa4 h LEU 326 N 0.74 0.55 -0.41 1.22 5.85 -1.28 0.37 115.31 122.37 2wa4 h LEU 326 Ca 0.20 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2wa4 h LEU 326 Cb -0.08 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 2wa4 h LEU 326 CO -0.04 0.77 0.09 1.23 -0.34 0.00 0.00 178.44 180.15 2wa4 h GLY 327 N 1.00 0.49 0.66 3.75 0.00 -1.11 -1.58 103.07 106.27 2wa4 h GLY 327 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2wa4 h GLY 327 CO 0.05 -0.03 -0.21 0.83 0.00 0.00 0.00 176.54 177.17 2wa4 h GLU 328 N 0.22 -0.58 -0.92 4.80 5.08 -0.99 -2.34 114.58 119.85 2wa4 h GLU 328 Ca 0.20 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.74 2wa4 h GLU 328 Cb 0.23 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 2wa4 h GLU 328 CO -0.25 -0.27 0.59 0.00 -1.00 0.00 0.00 179.01 178.08 2wa4 h ALA 329 N -0.62 1.78 0.00 3.43 0.00 -0.27 -0.59 119.26 122.99 2wa4 h ALA 329 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wa4 h ALA 329 Cb 0.57 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2wa4 h ALA 329 CO 0.10 -0.04 0.00 -0.07 0.00 0.00 0.00 179.25 179.24 2wa4 h LEU 330 N 0.74 0.00 0.00 0.00 3.38 -1.31 -3.47 115.31 114.65 2wa4 h LEU 330 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 2wa4 h LEU 330 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2wa4 h LEU 330 CO -0.23 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.91 2wa4 n GLY 331 N 1.11 1.95 3.62 0.83 0.00 -0.23 -4.97 105.19 107.49 2wa4 n GLY 331 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 2wa4 n GLY 331 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wa4 s ASN 332 N -3.43 -1.01 0.54 1.61 2.47 -1.12 -5.00 114.94 109.00 2wa4 s ASN 332 Ca 0.00 1.44 0.32 0.00 0.42 0.00 0.00 52.86 55.03 2wa4 s ASN 332 Cb 0.00 1.96 1.48 0.00 -1.45 0.00 0.00 41.25 43.25 2wa4 s ASN 332 CO 0.00 -0.21 1.89 -0.65 -3.72 0.00 0.00 177.10 174.41 2wa4 h PRO 333 N 7.61 0.00 0.00 0.43 0.11 -1.92 -1.26 132.00 136.97 2wa4 h PRO 333 Ca -0.21 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.86 2wa4 h PRO 333 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2wa4 h PRO 333 CO 0.12 0.00 -0.19 1.96 -0.21 0.00 0.00 178.00 179.67 2wa4 h GLN 334 N 0.00 0.00 -0.00 1.05 7.50 -1.95 -2.85 115.11 118.85 2wa4 h GLN 334 Ca 0.42 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.57 2wa4 h GLN 334 Cb 1.70 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.23 2wa4 h GLN 334 CO -0.00 0.19 -0.07 0.39 -1.50 0.00 0.00 178.83 177.84 2wa4 n GLU 335 N -3.49 0.27 0.12 1.46 1.02 -0.48 -4.03 120.64 115.51 2wa4 n GLU 335 Ca -0.01 -0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 56.96 2wa4 n GLU 335 Cb 0.36 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.21 2wa4 n GLU 335 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wa4 h VAL 336 N 0.10 0.67 0.27 2.62 2.07 -1.63 -1.87 116.25 118.48 2wa4 h VAL 336 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2wa4 h VAL 336 Cb 0.40 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2wa4 h VAL 336 CO 0.00 0.00 -0.22 1.23 0.02 0.00 0.00 177.57 178.60 2wa4 h GLY 337 N -0.33 -0.51 1.27 2.17 0.00 -1.79 -1.99 103.07 101.89 2wa4 h GLY 337 Ca 0.00 0.25 0.08 0.00 0.00 0.00 0.00 47.33 47.66 2wa4 h GLY 337 CO -0.03 -0.21 0.30 -2.55 0.00 0.00 0.00 176.54 174.05 2wa4 h PRO 338 N -0.50 0.24 -0.39 4.80 0.11 -1.75 -1.58 132.00 132.93 2wa4 h PRO 338 Ca -0.02 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.93 2wa4 h PRO 338 Cb 0.45 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 2wa4 h PRO 338 CO -0.02 0.16 -0.33 1.25 -0.21 0.00 0.00 178.00 178.85 2wa4 h LEU 339 N 0.24 0.97 -0.49 2.35 5.85 -0.85 -2.30 115.31 121.09 2wa4 h LEU 339 Ca 0.20 -0.45 -0.09 0.00 0.84 0.00 0.00 57.88 58.38 2wa4 h LEU 339 Cb 0.48 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2wa4 h LEU 339 CO -0.04 1.22 -0.03 -0.07 -0.34 0.00 0.00 178.44 179.18 2wa4 h LEU 340 N 0.73 0.87 -0.45 2.25 3.38 -0.63 -0.43 115.31 121.04 2wa4 h LEU 340 Ca 0.07 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.74 2wa4 h LEU 340 Cb 0.92 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2wa4 h LEU 340 CO 0.09 0.98 0.26 0.78 0.09 0.00 0.00 178.44 180.64 2wa4 h ASN 341 N 0.73 0.42 -0.72 -0.43 2.35 -1.33 -2.71 115.58 113.89 2wa4 h ASN 341 Ca 0.13 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2wa4 h ASN 341 Cb 0.56 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 2wa4 h ASN 341 CO 0.03 0.30 0.47 0.74 -1.65 0.00 0.00 177.43 177.32 2wa4 h THR 342 N 0.52 1.17 0.00 2.81 2.02 -1.06 -2.61 112.91 115.77 2wa4 h THR 342 Ca 0.18 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2wa4 h THR 342 Cb 0.02 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 2wa4 h THR 342 CO -0.09 0.18 0.00 0.80 0.37 0.00 0.00 175.52 176.78 2wa4 n MET 343 N -4.59 0.00 0.00 6.66 0.00 -0.20 -4.19 117.12 114.80 2wa4 n MET 343 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.77 2wa4 n MET 343 Cb 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 33.22 32.92 2wa4 n MET 343 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2wa4 n ILE 344 N 0.00 0.00 -3.60 1.12 5.41 -1.26 -4.62 119.36 116.41 2wa4 n ILE 344 Ca 0.00 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.57 2wa4 n ILE 344 Cb 0.00 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 38.78 2wa4 n ILE 344 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2wa4 s LYS 345 N 0.00 0.10 -1.22 0.38 1.02 -0.99 -5.49 119.74 113.54 2wa4 s LYS 345 Ca 0.00 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.39 2wa4 s LYS 345 Cb 0.00 -0.71 0.00 0.00 -0.52 0.00 0.00 37.83 36.60 2wa4 s LYS 345 CO 0.00 -0.46 0.00 0.41 -0.92 0.00 0.00 175.35 174.38 2wa4 n GLY 346 N 5.32 1.10 1.12 -3.33 0.00 -1.26 -4.77 105.19 103.37 2wa4 n GLY 346 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2wa4 n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wa4 n ARG 347 N -0.96 0.00 0.00 1.61 1.74 -1.26 -4.86 116.66 112.92 2wa4 n ARG 347 Ca -0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 2wa4 n ARG 347 Cb 0.57 -0.39 0.00 0.00 -1.02 0.00 0.00 32.46 31.62 2wa4 n ARG 347 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2wa4 n TYR 348 N -2.63 0.00 -0.13 -1.55 4.01 -1.26 -5.24 117.16 110.36 2wa4 n TYR 348 Ca 0.00 -0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 2wa4 n TYR 348 Cb 0.28 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 2wa4 n TYR 348 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67