#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cwu s SER 10 N 0.00 6.88 0.18 0.00 0.15 -1.26 -4.90 113.70 114.75 2cwu s SER 10 Ca 0.00 2.41 0.19 0.00 0.70 0.00 0.00 55.95 59.24 2cwu s SER 10 Cb 0.00 -2.61 0.83 0.00 -1.71 0.00 0.00 66.02 62.53 2cwu s SER 10 CO 0.00 -0.55 1.57 -2.65 1.20 0.00 0.00 173.24 172.81 2cwu n PRO 11 N 2.74 0.12 -0.31 5.44 -0.02 -1.26 -2.12 135.00 139.59 2cwu n PRO 11 Ca 0.07 0.43 0.10 0.00 -2.02 0.00 0.00 63.50 62.07 2cwu n PRO 11 Cb 0.43 -1.76 0.27 0.00 -0.02 0.00 0.00 33.50 32.42 2cwu n PRO 11 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2cwu n PHE 12 N -1.99 0.81 -1.60 6.00 3.72 -1.26 -4.77 117.46 118.37 2cwu n PHE 12 Ca 0.02 -0.48 -0.35 0.00 -0.05 0.00 0.00 57.45 56.59 2cwu n PHE 12 Cb 0.16 -0.01 0.08 0.00 -0.94 0.00 0.00 39.48 38.77 2cwu n PHE 12 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2cwu s ARG 13 N -1.03 2.38 0.64 -1.08 1.70 -0.90 -4.78 118.95 115.88 2cwu s ARG 13 Ca 0.41 1.79 -0.17 0.00 -0.47 0.00 0.00 55.73 57.29 2cwu s ARG 13 Cb 0.22 -1.86 -0.01 0.00 -0.57 0.00 0.00 34.95 32.73 2cwu s ARG 13 CO 0.28 -1.66 1.18 -0.51 -1.08 0.00 0.00 175.30 173.52 2cwu s LEU 14 N -4.84 3.52 0.34 -1.89 1.43 -1.26 -4.96 118.68 111.02 2cwu s LEU 14 Ca 0.75 2.27 -0.28 0.00 -1.03 0.00 0.00 54.13 55.85 2cwu s LEU 14 Cb -0.30 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.24 2cwu s LEU 14 CO 0.42 -1.73 1.20 0.00 0.23 0.00 0.00 176.35 176.47 2cwu s ALA 15 N -1.88 3.36 0.38 4.21 0.00 -1.26 -5.03 121.76 121.55 2cwu s ALA 15 Ca 0.74 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.76 2cwu s ALA 15 Cb -0.27 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 2cwu s ALA 15 CO 0.37 -0.47 0.59 -1.54 0.00 0.00 0.00 175.76 174.72 2cwu s SER 16 N -0.80 6.19 0.32 0.00 1.04 -1.26 -4.45 113.70 114.75 2cwu s SER 16 Ca 0.50 0.45 -0.00 0.00 0.48 0.00 0.00 55.95 57.38 2cwu s SER 16 Cb -0.35 -1.94 0.53 0.00 0.10 0.00 0.00 66.02 64.37 2cwu s SER 16 CO 0.45 -0.40 1.98 0.00 0.98 0.00 0.00 173.24 176.25 2cwu h ALA 17 N 0.64 1.48 -0.83 5.32 0.00 -1.95 -2.17 119.26 121.75 2cwu h ALA 17 Ca -0.49 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 2cwu h ALA 17 Cb 1.22 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2cwu h ALA 17 CO 0.60 0.48 0.47 0.78 0.00 0.00 0.00 179.25 181.58 2cwu h GLY 18 N 1.01 1.22 1.29 0.00 0.00 -1.99 -1.64 103.07 102.96 2cwu h GLY 18 Ca 0.28 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 2cwu h GLY 18 CO -0.07 0.51 0.15 0.83 0.00 0.00 0.00 176.54 177.97 2cwu h GLU 19 N 1.15 0.89 -0.20 4.80 5.08 -1.78 0.58 114.58 125.09 2cwu h GLU 19 Ca 0.29 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2cwu h GLU 19 Cb -0.00 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2cwu h GLU 19 CO -0.05 0.78 0.03 0.82 -1.00 0.00 0.00 179.01 179.59 2cwu h ILE 20 N 0.86 1.23 0.00 3.13 1.08 -1.23 -0.87 117.51 121.70 2cwu h ILE 20 Ca 0.19 -0.77 -0.05 0.00 -0.39 0.00 0.00 64.86 63.84 2cwu h ILE 20 Cb 0.29 1.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.38 2cwu h ILE 20 CO -0.00 0.24 -0.23 0.77 -0.69 0.00 0.00 178.15 178.24 2cwu h SER 21 N 0.13 0.00 -0.32 1.72 4.64 -1.01 -1.27 113.55 117.44 2cwu h SER 21 Ca 0.06 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.23 2cwu h SER 21 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2cwu h SER 21 CO 0.01 0.23 -0.41 -0.08 -0.87 0.00 0.00 176.83 175.70 2cwu h GLU 22 N 0.00 0.84 -0.64 4.77 4.57 -0.47 -0.72 114.58 122.91 2cwu h GLU 22 Ca -0.00 -0.48 -0.00 0.00 -1.18 0.00 0.00 59.36 57.70 2cwu h GLU 22 Cb 0.42 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 2cwu h GLU 22 CO 0.03 1.11 0.39 0.28 -1.18 0.00 0.00 179.01 179.64 2cwu h VAL 23 N 0.62 1.19 -0.22 0.32 2.07 -0.53 -0.46 116.25 119.23 2cwu h VAL 23 Ca 0.04 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.18 2cwu h VAL 23 Cb 1.00 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2cwu h VAL 23 CO 0.10 0.19 0.01 -0.61 0.02 0.00 0.00 177.57 177.28 2cwu h GLN 24 N 0.87 0.09 -0.74 1.57 4.15 -0.99 -0.65 115.11 119.41 2cwu h GLN 24 Ca 0.23 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 2cwu h GLN 24 Cb -0.03 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 2cwu h GLN 24 CO -0.04 0.06 0.38 0.78 -1.93 0.00 0.00 178.83 178.07 2cwu h GLY 25 N 0.09 1.13 0.95 2.39 0.00 -0.74 -0.61 103.07 106.27 2cwu h GLY 25 Ca 0.10 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 2cwu h GLY 25 CO -0.16 0.52 0.09 -2.22 0.00 0.00 0.00 176.54 174.76 2cwu h ILE 26 N 1.03 1.08 -0.19 2.60 1.08 -0.74 -0.70 117.51 121.69 2cwu h ILE 26 Ca 0.26 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 2cwu h ILE 26 Cb 0.09 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 2cwu h ILE 26 CO -0.04 0.08 0.10 -0.07 -0.69 0.00 0.00 178.15 177.53 2cwu h LEU 27 N 0.16 0.24 0.21 1.44 3.38 -0.91 -1.31 115.31 118.53 2cwu h LEU 27 Ca 0.05 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2cwu h LEU 27 Cb 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2cwu h LEU 27 CO -0.01 0.27 -0.16 0.03 0.09 0.00 0.00 178.44 178.66 2cwu h ARG 28 N 0.19 -0.37 -0.15 1.13 3.08 -1.01 0.15 114.38 117.40 2cwu h ARG 28 Ca 0.07 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.16 2cwu h ARG 28 Cb 0.09 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2cwu h ARG 28 CO -0.01 -0.25 0.10 1.15 -1.07 0.00 0.00 179.97 179.90 2cwu h THR 29 N -0.38 0.99 0.00 2.04 2.02 -1.08 0.16 112.91 116.66 2cwu h THR 29 Ca -0.01 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2cwu h THR 29 Cb 0.34 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2cwu h THR 29 CO -0.01 0.02 0.00 0.00 0.37 0.00 0.00 175.52 175.90 2cwu n ALA 30 N -2.54 2.48 -0.94 6.16 0.00 -0.50 -4.89 120.51 120.29 2cwu n ALA 30 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2cwu n ALA 30 Cb 0.14 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2cwu n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cwu n GLY 31 N 1.26 0.44 1.15 0.00 0.00 0.56 -4.95 105.19 103.66 2cwu n GLY 31 Ca 0.14 -0.86 0.11 0.00 0.00 0.00 0.00 46.02 45.42 2cwu n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cwu n LEU 32 N 0.00 3.51 -2.86 0.99 4.77 -0.01 -4.57 117.00 118.82 2cwu n LEU 32 Ca 0.00 -1.62 -0.19 0.00 -0.03 0.00 0.00 56.01 54.17 2cwu n LEU 32 Cb 0.00 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 2cwu n LEU 32 CO 0.00 0.79 -0.04 -0.11 -1.33 0.00 0.00 177.39 176.70 2cwu n LEU 33 N 1.45 2.52 -4.55 2.23 7.94 -1.22 -4.88 117.00 120.49 2cwu n LEU 33 Ca 0.20 -4.85 -0.30 0.00 -1.11 0.00 0.00 56.01 49.94 2cwu n LEU 33 Cb 0.59 0.14 0.24 0.00 0.53 0.00 0.00 43.42 44.93 2cwu n LEU 33 CO 0.15 2.10 0.59 -0.83 -1.11 0.00 0.00 177.39 178.29 2cwu s GLY 34 N -3.05 1.55 0.57 -3.96 0.00 -1.26 -4.82 107.32 96.35 2cwu s GLY 34 Ca 0.40 -0.87 0.27 0.00 0.00 0.00 0.00 44.72 44.52 2cwu s GLY 34 CO -0.08 0.01 2.10 -2.55 0.00 0.00 0.00 173.10 172.58 2cwu h PRO 35 N -2.69 0.00 -0.00 2.90 0.11 -2.00 -1.36 132.00 128.96 2cwu h PRO 35 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2cwu h PRO 35 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2cwu h PRO 35 CO 0.35 0.00 -0.29 -0.85 -0.21 0.00 0.00 178.00 177.00 2cwu n GLU 36 N -3.96 0.29 -3.08 1.05 0.00 -1.26 -4.92 120.64 108.75 2cwu n GLU 36 Ca 0.02 -0.13 -0.31 0.00 0.00 0.00 0.00 57.16 56.74 2cwu n GLU 36 Cb 0.32 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.22 2cwu n GLU 36 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2cwu s LYS 37 N -2.80 3.82 -0.04 3.44 -0.14 -0.51 -1.12 119.74 122.39 2cwu s LYS 37 Ca 0.18 0.43 -0.04 0.00 -1.36 0.00 0.00 55.97 55.18 2cwu s LYS 37 Cb 0.19 -2.48 0.01 0.00 -1.68 0.00 0.00 37.83 33.87 2cwu s LYS 37 CO 0.59 0.10 0.11 1.03 -0.76 0.00 0.00 175.35 176.42 2cwu s ARG 38 N -3.42 0.14 -0.45 1.68 1.81 0.35 -4.89 118.95 114.17 2cwu s ARG 38 Ca 0.50 0.13 -0.25 0.00 -1.72 0.00 0.00 55.73 54.39 2cwu s ARG 38 Cb -0.10 0.07 0.03 0.00 -0.45 0.00 0.00 34.95 34.49 2cwu s ARG 38 CO 0.26 -0.02 0.90 0.42 -0.68 0.00 0.00 175.30 176.18 2cwu s ILE 39 N -0.00 4.51 -0.23 1.52 -1.09 0.87 0.09 121.20 126.86 2cwu s ILE 39 Ca -0.01 0.71 0.22 0.00 -2.23 0.00 0.00 60.65 59.34 2cwu s ILE 39 Cb -0.01 -4.41 0.01 0.00 -1.58 0.00 0.00 42.46 36.47 2cwu s ILE 39 CO 0.00 -0.79 1.06 0.00 -1.23 0.00 0.00 174.94 173.98 2cwu h ALA 40 N 9.02 0.56 -1.92 9.38 0.00 -1.26 -3.39 119.26 131.65 2cwu h ALA 40 Ca -0.24 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2cwu h ALA 40 Cb 1.08 0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.69 2cwu h ALA 40 CO 1.01 0.14 0.19 -0.47 0.00 0.00 0.00 179.25 180.13 2cwu s TYR 41 N -3.29 -0.73 -0.18 0.00 5.04 -1.20 -4.71 117.35 112.29 2cwu s TYR 41 Ca -0.00 1.78 -0.09 0.00 -2.44 0.00 0.00 57.07 56.31 2cwu s TYR 41 Cb 0.09 0.30 0.06 0.00 0.35 0.00 0.00 41.96 42.76 2cwu s TYR 41 CO 0.78 -0.35 0.42 -1.17 -1.34 0.00 0.00 175.55 173.89 2cwu s LEU 42 N 0.38 -0.19 0.02 6.97 0.20 -1.26 -0.91 118.68 123.90 2cwu s LEU 42 Ca 0.00 0.92 -0.28 0.00 0.69 0.00 0.00 54.13 55.46 2cwu s LEU 42 Cb -0.05 1.37 0.07 0.00 -0.43 0.00 0.00 46.19 47.15 2cwu s LEU 42 CO -0.01 -0.20 0.64 -0.83 -0.29 0.00 0.00 176.35 175.66 2cwu s GLY 43 N 1.57 -0.58 0.35 7.98 0.00 -0.69 -4.58 107.32 111.38 2cwu s GLY 43 Ca -0.08 1.01 -0.25 0.00 0.00 0.00 0.00 44.72 45.39 2cwu s GLY 43 CO -0.13 0.66 0.98 0.54 0.00 0.00 0.00 173.10 175.16 2cwu s VAL 44 N -2.07 4.03 0.02 1.40 0.11 -1.26 -0.06 120.40 122.57 2cwu s VAL 44 Ca -0.07 1.64 -0.20 0.00 -2.93 0.00 0.00 61.98 60.42 2cwu s VAL 44 Cb -0.00 -3.89 -0.06 0.00 -1.53 0.00 0.00 36.38 30.90 2cwu s VAL 44 CO 0.02 0.09 0.59 -0.76 -3.33 0.00 0.00 175.10 171.71 2cwu s LEU 45 N -2.24 4.46 0.74 2.54 1.43 0.55 -4.84 118.68 121.31 2cwu s LEU 45 Ca 0.53 1.20 -0.13 0.00 -1.03 0.00 0.00 54.13 54.69 2cwu s LEU 45 Cb -0.20 -2.91 0.04 0.00 0.03 0.00 0.00 46.19 43.15 2cwu s LEU 45 CO 0.25 0.16 1.13 -1.81 0.23 0.00 0.00 176.35 176.31 2cwu s ASP 46 N -0.51 4.45 0.32 2.29 1.01 -1.26 -4.66 116.67 118.32 2cwu s ASP 46 Ca 0.30 2.04 -0.29 0.00 0.71 0.00 0.00 52.55 55.31 2cwu s ASP 46 Cb -0.19 -2.55 -0.11 0.00 1.01 0.00 0.00 42.92 41.09 2cwu s ASP 46 CO 0.18 -2.08 1.42 -2.84 0.21 0.00 0.00 175.17 172.07 2cwu s PRO 47 N -4.38 4.23 0.82 8.23 0.02 -1.26 -4.98 135.00 137.69 2cwu s PRO 47 Ca 0.67 2.39 -0.11 0.00 0.02 0.00 0.00 61.00 63.96 2cwu s PRO 47 Cb -0.21 -3.04 0.09 0.00 0.02 0.00 0.00 34.50 31.35 2cwu s PRO 47 CO 0.49 -0.40 1.09 0.00 -0.33 0.00 0.00 177.00 177.85 2cwu s ALA 48 N -0.75 1.97 0.09 -1.55 0.00 -1.26 -4.91 121.76 115.34 2cwu s ALA 48 Ca 0.54 0.09 -0.31 0.00 0.00 0.00 0.00 51.96 52.28 2cwu s ALA 48 Cb -0.43 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.36 2cwu s ALA 48 CO 0.53 -1.99 1.87 0.54 0.00 0.00 0.00 175.76 176.71 2cwu n ARG 49 N -3.66 2.77 0.00 0.00 5.12 -1.26 -4.59 116.66 115.04 2cwu n ARG 49 Ca 0.08 1.01 0.00 0.00 -1.93 0.00 0.00 57.85 57.01 2cwu n ARG 49 Cb 0.54 -2.92 0.00 0.00 -1.16 0.00 0.00 32.46 28.92 2cwu n ARG 49 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2cwu n GLY 50 N 4.31 1.34 1.55 -0.13 0.00 -1.26 -4.96 105.19 106.04 2cwu n GLY 50 Ca 0.19 -1.01 0.06 0.00 0.00 0.00 0.00 46.02 45.26 2cwu n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwu n ALA 51 N 2.20 3.42 0.29 4.61 0.00 -1.26 -4.36 120.51 125.41 2cwu n ALA 51 Ca 0.00 -1.47 0.10 0.00 0.00 0.00 0.00 53.44 52.07 2cwu n ALA 51 Cb 0.00 -1.08 0.47 0.00 0.00 0.00 0.00 19.45 18.84 2cwu n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cwu n GLY 52 N 0.69 -1.04 3.43 0.00 0.00 -1.26 -4.10 105.19 102.91 2cwu n GLY 52 Ca 0.22 0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.91 2cwu n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cwu s SER 53 N -3.95 6.99 0.41 1.61 1.04 -1.26 -5.02 113.70 113.52 2cwu s SER 53 Ca 0.02 -2.85 -0.21 0.00 0.48 0.00 0.00 55.95 53.39 2cwu s SER 53 Cb 0.07 -2.35 -0.15 0.00 0.10 0.00 0.00 66.02 63.69 2cwu s SER 53 CO 0.28 -0.73 0.17 -0.62 0.98 0.00 0.00 173.24 173.32 2cwu n GLU 54 N 5.24 0.11 -2.63 4.02 -0.58 -1.26 -4.15 120.64 121.40 2cwu n GLU 54 Ca 0.30 0.04 -0.05 0.00 -0.42 0.00 0.00 57.16 57.03 2cwu n GLU 54 Cb 0.44 -1.11 -0.04 0.00 -0.57 0.00 0.00 31.44 30.16 2cwu n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cwu n ALA 55 N -1.03 -3.20 -1.90 0.62 0.00 -1.26 -4.88 120.51 108.86 2cwu n ALA 55 Ca 0.11 1.98 -0.41 0.00 0.00 0.00 0.00 53.44 55.12 2cwu n ALA 55 Cb 0.40 -3.98 -0.03 0.00 0.00 0.00 0.00 19.45 15.84 2cwu n ALA 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2cwu s GLU 56 N -0.57 4.47 -0.51 0.00 1.03 -1.26 -4.98 118.70 116.89 2cwu s GLU 56 Ca -0.23 1.99 -0.24 0.00 0.03 0.00 0.00 54.97 56.52 2cwu s GLU 56 Cb 0.02 -3.17 0.04 0.00 -0.80 0.00 0.00 34.13 30.21 2cwu s GLU 56 CO 0.62 -0.08 0.87 0.34 -1.33 0.00 0.00 175.26 175.68 2cwu s ASP 57 N -0.22 6.37 -0.25 0.83 2.15 -1.26 -4.99 116.67 119.29 2cwu s ASP 57 Ca 0.51 -0.26 -0.29 0.00 0.43 0.00 0.00 52.55 52.94 2cwu s ASP 57 Cb -0.35 -2.41 -0.03 0.00 -0.30 0.00 0.00 42.92 39.83 2cwu s ASP 57 CO 0.42 -1.09 1.73 -0.13 -0.17 0.00 0.00 175.17 175.93 2cwu s ARG 58 N 3.64 3.59 0.08 4.34 1.81 -1.26 -4.99 118.95 126.16 2cwu s ARG 58 Ca 0.30 1.62 0.09 0.00 -1.72 0.00 0.00 55.73 56.02 2cwu s ARG 58 Cb -0.13 -4.12 -0.03 0.00 -0.45 0.00 0.00 34.95 30.22 2cwu s ARG 58 CO 0.21 -1.55 -0.22 1.03 -0.68 0.00 0.00 175.30 174.09 2cwu s ARG 59 N 5.15 1.79 0.03 3.54 0.52 -1.26 -1.57 118.95 127.14 2cwu s ARG 59 Ca 0.77 -1.14 0.08 0.00 -0.52 0.00 0.00 55.73 54.92 2cwu s ARG 59 Cb -0.25 -2.05 -0.02 0.00 0.52 0.00 0.00 34.95 33.14 2cwu s ARG 59 CO 0.32 0.50 -0.24 -0.06 0.02 0.00 0.00 175.30 175.84 2cwu s PHE 60 N -0.96 2.10 -0.14 -0.53 0.40 -0.17 -0.33 117.98 118.33 2cwu s PHE 60 Ca 0.14 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 56.03 2cwu s PHE 60 Cb -0.10 -1.28 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 2cwu s PHE 60 CO 0.05 0.07 0.03 0.50 0.70 0.00 0.00 175.22 176.57 2cwu s ARG 61 N -1.01 3.56 -0.01 0.44 3.52 0.91 -1.61 118.95 124.74 2cwu s ARG 61 Ca 0.10 -0.38 0.02 0.00 -0.13 0.00 0.00 55.73 55.33 2cwu s ARG 61 Cb -0.09 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.28 2cwu s ARG 61 CO 0.01 0.44 -0.06 0.08 -0.81 0.00 0.00 175.30 174.97 2cwu s VAL 62 N -0.14 0.50 -0.28 7.11 1.01 0.13 -1.70 120.40 127.03 2cwu s VAL 62 Ca 0.06 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 2cwu s VAL 62 Cb -0.12 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 2cwu s VAL 62 CO 0.02 0.16 0.08 -0.36 0.00 0.00 0.00 175.10 174.99 2cwu s PHE 63 N 0.06 3.12 -0.25 5.22 0.08 -0.09 -0.16 117.98 125.97 2cwu s PHE 63 Ca -0.00 -0.74 -0.08 0.00 0.12 0.00 0.00 56.93 56.23 2cwu s PHE 63 Cb -0.05 -2.25 -0.03 0.00 -0.57 0.00 0.00 43.02 40.12 2cwu s PHE 63 CO -0.00 -0.49 0.08 0.42 -0.10 0.00 0.00 175.22 175.13 2cwu s ILE 64 N 1.55 4.39 0.20 0.64 1.09 0.85 -0.75 121.20 129.16 2cwu s ILE 64 Ca 0.04 -0.14 -0.06 0.00 -1.10 0.00 0.00 60.65 59.39 2cwu s ILE 64 Cb -0.16 -3.06 -0.06 0.00 -1.06 0.00 0.00 42.46 38.12 2cwu s ILE 64 CO 0.03 0.33 0.46 -2.28 -0.10 0.00 0.00 174.94 173.38 2cwu s HIS 65 N 1.61 3.46 -0.23 3.97 5.65 0.11 -1.37 115.29 128.49 2cwu s HIS 65 Ca 0.06 0.64 0.01 0.00 0.25 0.00 0.00 55.06 56.03 2cwu s HIS 65 Cb -0.15 -2.08 0.06 0.00 -1.18 0.00 0.00 32.58 29.23 2cwu s HIS 65 CO 0.04 0.34 -0.07 0.34 -0.65 0.00 0.00 174.74 174.74 2cwu s ASP 66 N -2.60 3.88 0.00 9.88 -1.08 -1.26 -0.49 116.67 124.99 2cwu s ASP 66 Ca 0.43 -1.17 0.16 0.00 -0.52 0.00 0.00 52.55 51.45 2cwu s ASP 66 Cb -0.11 -1.25 0.94 0.00 -1.46 0.00 0.00 42.92 41.04 2cwu s ASP 66 CO 0.25 -0.21 1.35 1.33 0.52 0.00 0.00 175.17 178.41 2cwu n VAL 67 N 4.63 0.00 1.03 1.11 0.24 -0.27 -2.17 118.33 122.90 2cwu n VAL 67 Ca -0.13 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.29 2cwu n VAL 67 Cb 0.44 -0.74 0.11 0.00 -1.47 0.00 0.00 33.84 32.18 2cwu n VAL 67 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2cwu n SER 68 N -0.99 0.88 0.00 -1.34 2.88 -1.26 -4.89 113.62 108.89 2cwu n SER 68 Ca 0.12 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 2cwu n SER 68 Cb 0.05 0.52 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2cwu n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cwu n GLY 69 N 1.47 1.67 3.71 0.46 0.00 -0.92 -5.04 105.19 106.53 2cwu n GLY 69 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2cwu n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwu s ALA 70 N -2.46 2.02 0.34 4.61 0.00 -1.26 -4.89 121.76 120.12 2cwu s ALA 70 Ca 0.00 0.99 -0.28 0.00 0.00 0.00 0.00 51.96 52.67 2cwu s ALA 70 Cb 0.00 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.48 2cwu s ALA 70 CO 0.00 -2.06 1.27 0.54 0.00 0.00 0.00 175.76 175.51 2cwu n ARG 71 N -2.81 2.08 -1.93 0.00 1.74 -1.26 -4.47 116.66 110.02 2cwu n ARG 71 Ca 0.14 0.73 -0.29 0.00 -0.77 0.00 0.00 57.85 57.66 2cwu n ARG 71 Cb 0.50 -2.30 0.15 0.00 -1.02 0.00 0.00 32.46 29.79 2cwu n ARG 71 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2cwu s PRO 72 N -1.86 1.13 0.02 5.56 0.04 -1.26 -4.77 135.00 133.86 2cwu s PRO 72 Ca 0.56 -0.22 -0.06 0.00 0.04 0.00 0.00 61.00 61.31 2cwu s PRO 72 Cb -0.58 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 2cwu s PRO 72 CO 0.62 -2.11 0.10 -0.65 0.04 0.00 0.00 177.00 175.01 2cwu s GLN 73 N -5.77 0.51 -0.22 4.56 -0.21 -0.47 -0.96 119.66 117.10 2cwu s GLN 73 Ca 0.70 -0.56 -0.05 0.00 0.02 0.00 0.00 55.36 55.47 2cwu s GLN 73 Cb -0.06 0.20 -0.02 0.00 1.00 0.00 0.00 33.01 34.13 2cwu s GLN 73 CO 0.51 -0.12 -0.01 -2.00 -2.12 0.00 0.00 175.29 171.55 2cwu s GLU 74 N -1.87 3.49 0.00 2.91 2.12 -0.31 -0.11 118.70 124.94 2cwu s GLU 74 Ca -0.11 -0.57 0.06 0.00 0.36 0.00 0.00 54.97 54.71 2cwu s GLU 74 Cb -0.05 -3.07 -0.02 0.00 0.26 0.00 0.00 34.13 31.25 2cwu s GLU 74 CO -0.01 -0.12 -0.19 0.08 -0.54 0.00 0.00 175.26 174.47 2cwu s VAL 75 N 1.33 1.53 -0.12 3.70 1.01 0.78 -0.92 120.40 127.72 2cwu s VAL 75 Ca 0.04 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.13 2cwu s VAL 75 Cb -0.14 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.94 2cwu s VAL 75 CO -0.00 0.35 -0.23 -0.89 0.00 0.00 0.00 175.10 174.33 2cwu s THR 76 N -0.56 2.09 0.15 3.92 2.01 -0.09 0.17 115.64 123.34 2cwu s THR 76 Ca 0.07 -0.99 0.06 0.00 0.31 0.00 0.00 61.69 61.14 2cwu s THR 76 Cb -0.08 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 2cwu s THR 76 CO -0.00 0.55 -0.14 0.68 -0.69 0.00 0.00 174.62 175.03 2cwu s VAL 77 N 0.53 1.45 -0.29 3.82 -7.23 -0.64 -0.09 120.40 117.96 2cwu s VAL 77 Ca -0.14 -1.92 -0.06 0.00 -1.81 0.00 0.00 61.98 58.05 2cwu s VAL 77 Cb -0.17 -1.74 0.01 0.00 0.56 0.00 0.00 36.38 35.04 2cwu s VAL 77 CO 0.05 -0.51 0.07 -0.55 -0.31 0.00 0.00 175.10 173.85 2cwu s SER 78 N -2.81 5.05 0.41 4.85 0.15 0.30 -1.00 113.70 120.65 2cwu s SER 78 Ca 0.14 -0.71 0.22 0.00 0.70 0.00 0.00 55.95 56.30 2cwu s SER 78 Cb -0.03 -1.86 0.43 0.00 -1.71 0.00 0.00 66.02 62.86 2cwu s SER 78 CO 0.04 -0.18 1.63 -0.37 1.20 0.00 0.00 173.24 175.55 2cwu h VAL 79 N 5.88 0.28 -0.06 4.45 -1.51 -1.58 0.22 116.25 123.94 2cwu h VAL 79 Ca -0.32 -1.28 -0.01 0.00 -1.23 0.00 0.00 66.70 63.87 2cwu h VAL 79 Cb 1.13 2.04 -0.00 0.00 -2.13 0.00 0.00 31.29 32.32 2cwu h VAL 79 CO 0.60 0.15 0.01 0.74 -1.23 0.00 0.00 177.57 177.84 2cwu h THR 80 N 0.00 1.19 -0.02 7.19 2.02 -1.92 -3.24 112.91 118.13 2cwu h THR 80 Ca -0.00 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.60 2cwu h THR 80 Cb 1.03 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 2cwu h THR 80 CO 0.02 0.16 -0.43 0.59 0.37 0.00 0.00 175.52 176.23 2cwu n ASN 81 N -4.92 2.10 -2.92 4.18 3.02 -1.22 -4.99 115.26 110.51 2cwu n ASN 81 Ca -0.07 -1.55 -0.18 0.00 -0.03 0.00 0.00 54.58 52.75 2cwu n ASN 81 Cb 0.14 0.44 0.06 0.00 -0.61 0.00 0.00 39.78 39.81 2cwu n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cwu n GLY 82 N 1.40 -0.22 3.31 7.41 0.00 0.73 -5.02 105.19 112.80 2cwu n GLY 82 Ca 0.09 0.05 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 2cwu n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cwu s THR 83 N -3.25 1.24 -0.39 2.61 -4.23 -0.83 -4.95 115.64 105.84 2cwu s THR 83 Ca 0.43 -2.08 -0.17 0.00 -1.18 0.00 0.00 61.69 58.69 2cwu s THR 83 Cb -0.19 -2.13 0.01 0.00 1.34 0.00 0.00 72.50 71.53 2cwu s THR 83 CO 0.57 -0.52 0.43 -0.69 -0.54 0.00 0.00 174.62 173.87 2cwu s VAL 84 N -3.28 5.09 0.01 2.29 1.01 -1.26 -0.54 120.40 123.72 2cwu s VAL 84 Ca 0.23 -0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.89 2cwu s VAL 84 Cb 0.03 -3.97 -0.18 0.00 0.00 0.00 0.00 36.38 32.27 2cwu s VAL 84 CO 0.06 -0.30 1.23 0.40 0.00 0.00 0.00 175.10 176.49 2cwu h ILE 85 N 5.66 1.41 -2.48 2.22 1.08 -0.83 -3.47 117.51 121.10 2cwu h ILE 85 Ca -0.28 -1.59 -0.07 0.00 -0.39 0.00 0.00 64.86 62.54 2cwu h ILE 85 Cb 1.12 2.21 -0.18 0.00 -3.07 0.00 0.00 36.82 36.90 2cwu h ILE 85 CO 0.76 0.46 0.06 -0.94 -0.69 0.00 0.00 178.15 177.80 2cwu s SER 86 N -6.28 -0.50 -0.17 1.72 1.04 -1.03 -5.00 113.70 103.49 2cwu s SER 86 Ca -0.14 0.40 -0.04 0.00 0.48 0.00 0.00 55.95 56.65 2cwu s SER 86 Cb 0.04 0.48 0.08 0.00 0.10 0.00 0.00 66.02 66.72 2cwu s SER 86 CO 0.76 -0.63 0.19 0.00 0.98 0.00 0.00 173.24 174.54 2cwu s ALA 87 N -1.72 -0.12 -0.13 5.32 0.00 -1.26 -0.91 121.76 122.94 2cwu s ALA 87 Ca -0.09 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2cwu s ALA 87 Cb -0.01 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 2cwu s ALA 87 CO 0.04 -1.07 -0.14 0.08 0.00 0.00 0.00 175.76 174.67 2cwu s VAL 88 N 2.29 2.92 0.14 0.00 1.01 -0.10 -4.96 120.40 121.70 2cwu s VAL 88 Ca 0.05 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 2cwu s VAL 88 Cb -0.15 -2.22 -0.07 0.00 0.00 0.00 0.00 36.38 33.94 2cwu s VAL 88 CO -0.10 0.52 1.15 -0.70 0.00 0.00 0.00 175.10 175.98 2cwu s GLU 89 N 0.42 4.51 -0.07 2.72 2.12 -1.26 -1.16 118.70 125.98 2cwu s GLU 89 Ca -0.11 1.77 -0.04 0.00 0.36 0.00 0.00 54.97 56.95 2cwu s GLU 89 Cb -0.16 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 2cwu s GLU 89 CO 0.05 -0.08 0.12 -0.51 -0.54 0.00 0.00 175.26 174.31 2cwu s LEU 90 N 0.15 4.18 -0.56 2.70 1.43 -0.13 -4.94 118.68 121.51 2cwu s LEU 90 Ca 0.53 0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 53.91 2cwu s LEU 90 Cb -0.30 -2.19 0.15 0.00 0.03 0.00 0.00 46.19 43.88 2cwu s LEU 90 CO 0.33 0.35 0.40 -0.62 0.23 0.00 0.00 176.35 177.05 2cwu s ASP 91 N -1.34 5.53 0.47 2.29 3.68 -1.26 -4.13 116.67 121.92 2cwu s ASP 91 Ca 0.19 -2.43 0.16 0.00 2.13 0.00 0.00 52.55 52.59 2cwu s ASP 91 Cb -0.12 -1.93 1.14 0.00 -1.45 0.00 0.00 42.92 40.56 2cwu s ASP 91 CO 0.09 -0.51 2.04 0.71 0.13 0.00 0.00 175.17 177.63 2cwu h THR 92 N 5.66 0.92 0.00 1.71 1.35 -1.94 -1.09 112.91 119.52 2cwu h THR 92 Ca -0.07 -0.08 -0.02 0.00 -0.55 0.00 0.00 66.41 65.68 2cwu h THR 92 Cb 1.01 0.65 -0.00 0.00 -1.73 0.00 0.00 68.15 68.08 2cwu h THR 92 CO 0.75 0.04 -0.12 0.00 -0.25 0.00 0.00 175.52 175.95 2cwu h ALA 93 N 1.79 1.32 0.00 6.62 0.00 -1.87 0.10 119.26 127.22 2cwu h ALA 93 Ca 0.18 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 2cwu h ALA 93 Cb 0.42 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2cwu h ALA 93 CO -0.04 0.14 -1.42 0.00 0.00 0.00 0.00 179.25 177.94 2cwu n ALA 94 N -2.30 0.86 1.16 0.00 0.00 -0.51 -4.68 120.51 115.05 2cwu n ALA 94 Ca -0.02 -0.74 0.12 0.00 0.00 0.00 0.00 53.44 52.81 2cwu n ALA 94 Cb 0.23 -0.09 0.22 0.00 0.00 0.00 0.00 19.45 19.82 2cwu n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2cwu n THR 95 N -4.43 0.00 0.00 0.00 -2.24 -0.65 -4.86 114.28 102.10 2cwu n THR 95 Ca -0.29 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2cwu n THR 95 Cb 0.61 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 2cwu n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cwu n GLY 96 N 1.32 2.59 3.90 3.38 0.00 0.36 -4.36 105.19 112.38 2cwu n GLY 96 Ca 0.14 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 2cwu n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cwu s GLU 97 N -3.45 2.88 0.67 1.61 0.41 0.10 -4.32 118.70 116.60 2cwu s GLU 97 Ca 0.00 0.27 -0.11 0.00 -0.41 0.00 0.00 54.97 54.71 2cwu s GLU 97 Cb 0.00 -2.13 -0.01 0.00 -1.78 0.00 0.00 34.13 30.21 2cwu s GLU 97 CO 0.00 -0.90 1.06 -0.51 -0.49 0.00 0.00 175.26 174.42 2cwu s LEU 98 N -5.21 3.08 0.64 1.80 1.43 -1.26 -4.03 118.68 115.13 2cwu s LEU 98 Ca 0.56 1.35 -0.17 0.00 -1.03 0.00 0.00 54.13 54.84 2cwu s LEU 98 Cb -0.11 -4.28 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 2cwu s LEU 98 CO 0.49 -1.15 0.88 -2.65 0.23 0.00 0.00 176.35 174.15 2cwu n PRO 99 N -2.92 0.70 -2.07 1.29 -0.02 -1.26 -4.80 135.00 125.92 2cwu n PRO 99 Ca 0.07 0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 61.42 2cwu n PRO 99 Cb 0.55 -2.11 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 2cwu n PRO 99 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2cwu s VAL 100 N -1.64 2.71 0.11 -1.45 1.01 0.13 -4.93 120.40 116.33 2cwu s VAL 100 Ca 0.74 0.65 -0.17 0.00 0.00 0.00 0.00 61.98 63.21 2cwu s VAL 100 Cb -0.39 -3.41 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 2cwu s VAL 100 CO 0.49 0.13 0.55 -0.76 0.00 0.00 0.00 175.10 175.51 2cwu s LEU 101 N -1.03 4.43 0.28 3.92 1.43 -1.26 -4.82 118.68 121.63 2cwu s LEU 101 Ca 0.54 1.16 -0.03 0.00 -1.03 0.00 0.00 54.13 54.77 2cwu s LEU 101 Cb -0.41 -3.07 0.40 0.00 0.03 0.00 0.00 46.19 43.14 2cwu s LEU 101 CO 0.48 0.19 1.93 -0.08 0.23 0.00 0.00 176.35 179.10 2cwu h GLU 102 N 4.05 1.16 0.00 1.70 4.81 -1.94 -0.67 114.58 123.68 2cwu h GLU 102 Ca -0.49 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 2cwu h GLU 102 Cb 1.20 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.32 2cwu h GLU 102 CO 0.64 0.76 0.00 -0.85 -0.73 0.00 0.00 179.01 178.84 2cwu n GLU 103 N -4.43 0.03 0.07 1.92 0.28 -1.26 -1.48 120.64 115.77 2cwu n GLU 103 Ca 0.12 0.30 0.12 0.00 -0.16 0.00 0.00 57.16 57.54 2cwu n GLU 103 Cb 0.07 -1.50 0.13 0.00 1.43 0.00 0.00 31.44 31.58 2cwu n GLU 103 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2cwu h GLU 104 N 0.00 0.00 -0.37 3.44 5.08 -1.51 -3.37 114.58 117.85 2cwu h GLU 104 Ca 0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2cwu h GLU 104 Cb 0.16 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 2cwu h GLU 104 CO 0.00 0.00 -0.04 0.74 -1.00 0.00 0.00 179.01 178.71 2cwu h PHE 105 N 0.00 -0.10 0.00 4.33 -1.00 -1.29 -2.67 116.94 116.21 2cwu h PHE 105 Ca 0.00 0.03 -0.11 0.00 2.81 0.00 0.00 57.97 60.70 2cwu h PHE 105 Cb 0.79 0.10 -0.02 0.00 3.61 0.00 0.00 35.95 40.44 2cwu h PHE 105 CO 0.00 -0.11 -0.54 0.93 -1.61 0.00 0.00 178.31 176.98 2cwu h GLU 106 N 0.05 0.00 -0.52 1.51 5.08 -1.76 -3.28 114.58 115.65 2cwu h GLU 106 Ca 0.18 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.62 2cwu h GLU 106 Cb 0.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2cwu h GLU 106 CO -0.34 0.54 0.35 -0.39 -1.00 0.00 0.00 179.01 178.17 2cwu h VAL 107 N 0.00 0.92 0.58 3.13 -1.51 -1.66 -1.63 116.25 116.08 2cwu h VAL 107 Ca -0.01 -0.13 -0.03 0.00 -1.23 0.00 0.00 66.70 65.31 2cwu h VAL 107 Cb 0.95 0.52 0.01 0.00 -2.13 0.00 0.00 31.29 30.64 2cwu h VAL 107 CO 0.07 0.07 -0.28 0.58 -1.23 0.00 0.00 177.57 176.78 2cwu h VAL 108 N 0.37 0.40 -0.79 7.19 2.07 -1.65 0.14 116.25 123.98 2cwu h VAL 108 Ca 0.24 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2cwu h VAL 108 Cb 0.45 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2cwu h VAL 108 CO -0.06 0.02 0.50 -0.08 0.02 0.00 0.00 177.57 177.97 2cwu h GLU 109 N -0.87 1.05 -0.57 1.57 4.81 -1.69 -2.14 114.58 116.73 2cwu h GLU 109 Ca -0.08 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.02 2cwu h GLU 109 Cb 0.63 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2cwu h GLU 109 CO 0.13 0.72 0.16 1.96 -0.73 0.00 0.00 179.01 181.25 2cwu h GLN 110 N 1.07 0.89 -0.26 1.92 4.20 -1.21 -2.04 115.11 119.69 2cwu h GLN 110 Ca 0.29 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 2cwu h GLN 110 Cb -0.09 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 2cwu h GLN 110 CO -0.06 0.82 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.81 2cwu h LEU 111 N 0.80 0.48 -1.54 1.46 3.38 -0.80 -3.09 115.31 116.01 2cwu h LEU 111 Ca 0.18 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2cwu h LEU 111 Cb 0.30 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2cwu h LEU 111 CO -0.00 0.72 0.09 -0.07 0.09 0.00 0.00 178.44 179.27 2cwu h LEU 112 N 0.24 0.35 -1.79 1.67 3.38 -1.34 -2.59 115.31 115.23 2cwu h LEU 112 Ca 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2cwu h LEU 112 Cb 0.50 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2cwu h LEU 112 CO 0.02 0.35 0.06 0.00 0.09 0.00 0.00 178.44 178.96 2cwu h ALA 113 N 1.71 1.05 -0.10 1.53 0.00 -1.28 -0.91 119.26 121.27 2cwu h ALA 113 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2cwu h ALA 113 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2cwu h ALA 113 CO -0.01 -0.05 0.00 0.25 0.00 0.00 0.00 179.25 179.44 2cwu n THR 114 N -2.48 0.43 -3.15 0.00 -2.24 -0.98 -4.92 114.28 100.94 2cwu n THR 114 Ca -0.02 -0.71 -0.39 0.00 -2.27 0.00 0.00 64.05 60.65 2cwu n THR 114 Cb 0.10 0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 69.15 2cwu n THR 114 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cwu s ASP 115 N -0.76 6.73 0.30 3.42 -1.08 -0.35 -4.97 116.67 119.96 2cwu s ASP 115 Ca 0.11 0.88 -0.01 0.00 -0.52 0.00 0.00 52.55 53.01 2cwu s ASP 115 Cb 0.07 -2.34 0.46 0.00 -1.46 0.00 0.00 42.92 39.64 2cwu s ASP 115 CO 0.09 -0.19 1.94 -0.33 0.52 0.00 0.00 175.17 177.21 2cwu h GLU 116 N 7.21 1.07 -0.24 4.34 4.39 -1.93 -0.18 114.58 129.23 2cwu h GLU 116 Ca -0.35 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.27 2cwu h GLU 116 Cb 1.16 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 2cwu h GLU 116 CO 0.76 0.71 0.11 0.00 -1.16 0.00 0.00 179.01 179.43 2cwu h ARG 117 N 1.11 0.36 -0.20 2.33 3.08 -1.94 0.50 114.38 119.62 2cwu h ARG 117 Ca 0.34 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 2cwu h ARG 117 Cb -0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2cwu h ARG 117 CO -0.10 0.39 0.08 2.35 -1.07 0.00 0.00 179.97 181.62 2cwu h TRP 118 N 0.25 0.31 -0.93 3.04 2.91 -1.75 -1.72 115.95 118.06 2cwu h TRP 118 Ca 0.08 -0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.10 2cwu h TRP 118 Cb 0.15 -0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 28.66 2cwu h TRP 118 CO -0.01 0.36 0.61 -0.07 -1.03 0.00 0.00 178.44 178.30 2cwu h LEU 119 N 0.17 1.04 -0.84 0.65 3.38 -0.89 -0.82 115.31 118.00 2cwu h LEU 119 Ca 0.07 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2cwu h LEU 119 Cb 0.18 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2cwu h LEU 119 CO -0.00 0.74 0.13 0.11 0.09 0.00 0.00 178.44 179.50 2cwu h LYS 120 N 1.22 1.00 -0.58 1.13 1.57 -0.65 0.12 116.57 120.38 2cwu h LYS 120 Ca 0.35 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2cwu h LYS 120 Cb -0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 2cwu h LYS 120 CO -0.09 0.90 0.15 0.00 -0.57 0.00 0.00 179.45 179.84 2cwu h ALA 121 N 1.19 0.76 -0.27 3.86 0.00 -0.36 -1.67 119.26 122.77 2cwu h ALA 121 Ca 0.20 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2cwu h ALA 121 Cb 0.37 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2cwu h ALA 121 CO 0.00 0.46 -0.46 -0.07 0.00 0.00 0.00 179.25 179.19 2cwu h LEU 122 N 0.83 0.88 -0.94 0.00 3.38 -0.85 -3.09 115.31 115.53 2cwu h LEU 122 Ca 0.18 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 2cwu h LEU 122 Cb 0.34 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2cwu h LEU 122 CO 0.00 1.24 0.52 0.00 0.09 0.00 0.00 178.44 180.29 2cwu h ALA 123 N 0.67 1.19 0.00 1.53 0.00 -0.67 -0.52 119.26 121.47 2cwu h ALA 123 Ca 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2cwu h ALA 123 Cb 1.07 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2cwu h ALA 123 CO 0.11 0.67 -0.08 0.00 0.00 0.00 0.00 179.25 179.94 2cwu h ALA 124 N 1.30 1.78 -0.20 0.00 0.00 -1.28 -0.88 119.26 119.98 2cwu h ALA 124 Ca 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2cwu h ALA 124 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2cwu h ALA 124 CO -0.06 0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.84 2cwu n ARG 125 N -4.33 2.24 -3.65 0.00 1.74 -0.62 -4.96 116.66 107.08 2cwu n ARG 125 Ca -0.03 -1.85 -0.23 0.00 -0.77 0.00 0.00 57.85 54.97 2cwu n ARG 125 Cb 0.16 -1.48 0.06 0.00 -1.02 0.00 0.00 32.46 30.19 2cwu n ARG 125 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2cwu n ASN 126 N 1.13 -4.14 -4.49 0.55 3.02 -0.32 -4.99 115.26 106.01 2cwu n ASN 126 Ca 0.17 -0.66 -0.34 0.00 -0.03 0.00 0.00 54.58 53.72 2cwu n ASN 126 Cb 0.53 -4.64 -0.12 0.00 -0.61 0.00 0.00 39.78 34.95 2cwu n ASN 126 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2cwu s LEU 127 N -6.98 3.25 -0.16 3.41 1.43 -0.49 -5.02 118.68 114.12 2cwu s LEU 127 Ca 0.37 -0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 53.04 2cwu s LEU 127 Cb -0.17 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 2cwu s LEU 127 CO 0.77 0.15 1.50 -0.62 0.23 0.00 0.00 176.35 178.38 2cwu s ASP 128 N 0.49 6.65 0.49 2.29 -1.08 -1.26 -4.49 116.67 119.75 2cwu s ASP 128 Ca -0.03 1.79 0.24 0.00 -0.52 0.00 0.00 52.55 54.03 2cwu s ASP 128 Cb -0.14 -2.53 1.29 0.00 -1.46 0.00 0.00 42.92 40.07 2cwu s ASP 128 CO 0.03 -1.01 1.91 1.62 0.52 0.00 0.00 175.17 178.24 2cwu h VAL 129 N 5.78 0.67 0.00 1.11 3.04 -1.95 0.17 116.25 125.07 2cwu h VAL 129 Ca -0.33 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 2cwu h VAL 129 Cb 1.14 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 2cwu h VAL 129 CO 0.98 0.03 0.00 0.77 -1.01 0.00 0.00 177.57 178.34 2cwu h SER 130 N 0.17 0.00 -0.18 3.17 4.64 -2.00 -2.54 113.55 116.81 2cwu h SER 130 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2cwu h SER 130 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2cwu h SER 130 CO -0.07 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.18 2cwu n LYS 131 N -2.34 1.89 -3.37 4.77 5.02 0.60 -4.92 118.16 119.80 2cwu n LYS 131 Ca 0.01 -1.82 -0.42 0.00 -2.02 0.00 0.00 58.31 54.06 2cwu n LYS 131 Cb 0.21 -1.37 -0.09 0.00 -0.02 0.00 0.00 35.03 33.76 2cwu n LYS 131 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2cwu s VAL 132 N -1.36 5.15 0.20 -0.18 1.01 -0.96 -0.76 120.40 123.50 2cwu s VAL 132 Ca 0.26 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.79 2cwu s VAL 132 Cb 0.16 -3.95 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 2cwu s VAL 132 CO 0.23 -0.30 0.62 -0.13 0.00 0.00 0.00 175.10 175.52 2cwu s ARG 133 N 2.01 4.03 -0.12 2.72 1.81 0.65 -4.91 118.95 125.14 2cwu s ARG 133 Ca 0.10 0.58 0.01 0.00 -1.72 0.00 0.00 55.73 54.71 2cwu s ARG 133 Cb -0.17 -2.81 0.02 0.00 -0.45 0.00 0.00 34.95 31.53 2cwu s ARG 133 CO 0.12 0.39 -0.14 0.08 -0.68 0.00 0.00 175.30 175.07 2cwu s VAL 134 N -1.59 1.49 -0.04 3.52 1.01 -1.26 -0.70 120.40 122.84 2cwu s VAL 134 Ca 0.43 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 2cwu s VAL 134 Cb -0.14 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 2cwu s VAL 134 CO 0.20 0.44 1.08 0.00 0.00 0.00 0.00 175.10 176.81 2cwu s ALA 135 N 1.17 3.35 -0.91 5.51 0.00 0.02 -4.62 121.76 126.27 2cwu s ALA 135 Ca -0.03 0.56 -0.21 0.00 0.00 0.00 0.00 51.96 52.28 2cwu s ALA 135 Cb -0.14 -3.43 0.09 0.00 0.00 0.00 0.00 23.12 19.64 2cwu s ALA 135 CO -0.05 -0.51 1.20 -1.25 0.00 0.00 0.00 175.76 175.16 2cwu s PRO 136 N 1.62 3.51 0.12 0.00 0.04 -1.26 -3.05 135.00 135.97 2cwu s PRO 136 Ca 0.53 -1.38 -0.07 0.00 0.04 0.00 0.00 61.00 60.12 2cwu s PRO 136 Cb -0.22 -4.91 -0.06 0.00 0.04 0.00 0.00 34.50 29.35 2cwu s PRO 136 CO 0.24 -1.92 0.39 -0.51 0.04 0.00 0.00 177.00 175.24 2cwu s LEU 137 N 3.67 4.30 0.71 -3.56 1.43 -0.08 -4.92 118.68 120.21 2cwu s LEU 137 Ca 0.35 0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 53.98 2cwu s LEU 137 Cb -0.05 -3.17 0.03 0.00 0.03 0.00 0.00 46.19 43.02 2cwu s LEU 137 CO -0.06 0.10 1.20 -0.94 0.23 0.00 0.00 176.35 176.88 2cwu s SER 138 N -2.13 4.38 -0.10 2.29 1.04 -1.26 -0.99 113.70 116.93 2cwu s SER 138 Ca 0.38 2.33 -0.05 0.00 0.48 0.00 0.00 55.95 59.09 2cwu s SER 138 Cb -0.13 -2.59 -0.27 0.00 0.10 0.00 0.00 66.02 63.14 2cwu s SER 138 CO 0.21 -2.14 0.46 0.00 0.98 0.00 0.00 173.24 172.76 2cwu h ALA 139 N -0.14 0.43 -0.52 5.32 0.00 -1.92 -3.41 119.26 119.01 2cwu h ALA 139 Ca -0.48 -1.36 0.00 0.00 0.00 0.00 0.00 54.91 53.08 2cwu h ALA 139 Cb 1.29 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2cwu h ALA 139 CO 0.51 1.30 0.00 0.41 0.00 0.00 0.00 179.25 181.46 2cwu n GLY 140 N 1.92 -1.57 2.91 0.00 0.00 -1.26 -4.81 105.19 102.37 2cwu n GLY 140 Ca -0.29 -1.28 -0.25 0.00 0.00 0.00 0.00 46.02 44.21 2cwu n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cwu s VAL 141 N 0.00 0.90 0.00 1.61 1.01 -1.26 -4.60 120.40 118.06 2cwu s VAL 141 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2cwu s VAL 141 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.46 2cwu s VAL 141 CO 0.00 0.34 0.00 0.49 0.00 0.00 0.00 175.10 175.93 2cwu n PHE 142 N 4.69 0.00 0.47 5.22 3.01 -1.26 -4.85 117.46 124.74 2cwu n PHE 142 Ca -0.15 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.40 2cwu n PHE 142 Cb 0.50 0.00 0.24 0.00 -0.01 0.00 0.00 39.48 40.21 2cwu n PHE 142 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 2cwu n GLU 143 N 0.00 2.15 -2.90 -1.08 0.00 -1.26 -4.80 120.64 112.76 2cwu n GLU 143 Ca 0.00 -1.78 -0.44 0.00 0.00 0.00 0.00 57.16 54.94 2cwu n GLU 143 Cb 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 31.44 30.01 2cwu n GLU 143 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2cwu s TYR 144 N -1.38 3.03 0.54 -1.84 4.12 -1.26 -4.88 117.35 115.68 2cwu s TYR 144 Ca 0.34 -1.27 0.21 0.00 0.02 0.00 0.00 57.07 56.37 2cwu s TYR 144 Cb 0.18 -4.31 1.41 0.00 -1.52 0.00 0.00 41.96 37.72 2cwu s TYR 144 CO 0.24 -1.53 2.13 0.00 0.02 0.00 0.00 175.55 176.41 2cwu h ALA 145 N 8.98 2.01 0.00 3.71 0.00 -2.01 -1.70 119.26 130.25 2cwu h ALA 145 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2cwu h ALA 145 Cb 1.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2cwu h ALA 145 CO 1.14 -0.16 0.00 -0.85 0.00 0.00 0.00 179.25 179.38 2cwu n GLU 146 N -4.34 0.28 0.09 0.00 0.00 -1.26 -3.26 120.64 112.16 2cwu n GLU 146 Ca -0.00 0.08 0.07 0.00 0.00 0.00 0.00 57.16 57.31 2cwu n GLU 146 Cb 0.22 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.14 2cwu n GLU 146 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2cwu h GLU 147 N 0.00 0.00 -6.30 3.44 5.08 -1.68 -3.44 114.58 111.68 2cwu h GLU 147 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 2cwu h GLU 147 Cb 0.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.50 2cwu h GLU 147 CO 0.00 0.12 1.25 -0.98 -1.00 0.00 0.00 179.01 178.40 2cwu s ARG 148 N -3.18 4.02 0.00 2.33 1.70 -1.20 -0.63 118.95 121.99 2cwu s ARG 148 Ca -0.00 2.48 0.00 0.00 -0.47 0.00 0.00 55.73 57.74 2cwu s ARG 148 Cb 0.09 -4.17 0.00 0.00 -0.57 0.00 0.00 34.95 30.30 2cwu s ARG 148 CO 0.79 -1.08 0.00 0.41 -1.08 0.00 0.00 175.30 174.33 2cwu n GLY 149 N 4.65 1.52 3.86 3.88 0.00 -1.26 -4.97 105.19 112.86 2cwu n GLY 149 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 2cwu n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cwu s ARG 150 N -0.87 3.30 -0.63 1.61 0.52 0.20 -4.82 118.95 118.26 2cwu s ARG 150 Ca 0.00 -0.39 -0.22 0.00 -0.52 0.00 0.00 55.73 54.60 2cwu s ARG 150 Cb 0.00 -3.01 0.08 0.00 0.52 0.00 0.00 34.95 32.54 2cwu s ARG 150 CO 0.00 0.66 0.88 0.50 0.02 0.00 0.00 175.30 177.36 2cwu s ARG 151 N -1.89 3.11 0.09 3.54 3.52 -1.26 -4.97 118.95 121.08 2cwu s ARG 151 Ca 0.26 -0.92 0.04 0.00 -0.13 0.00 0.00 55.73 54.99 2cwu s ARG 151 Cb -0.12 -4.22 -0.04 0.00 -1.56 0.00 0.00 34.95 29.01 2cwu s ARG 151 CO 0.17 -1.69 0.02 0.42 -0.81 0.00 0.00 175.30 173.41 2cwu s ILE 152 N 3.64 4.17 0.01 4.11 -1.09 -1.26 -1.40 121.20 129.38 2cwu s ILE 152 Ca 0.20 -0.93 0.01 0.00 -2.23 0.00 0.00 60.65 57.70 2cwu s ILE 152 Cb -0.18 -3.00 -0.01 0.00 -1.58 0.00 0.00 42.46 37.69 2cwu s ILE 152 CO 0.10 0.12 -0.03 -0.76 -1.23 0.00 0.00 174.94 173.13 2cwu s LEU 153 N -2.35 2.06 0.07 2.97 1.43 -0.51 -4.15 118.68 118.20 2cwu s LEU 153 Ca 0.27 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 2cwu s LEU 153 Cb -0.12 -0.11 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 2cwu s LEU 153 CO 0.19 -0.04 0.01 -0.13 0.23 0.00 0.00 176.35 176.62 2cwu s ARG 154 N -0.41 2.66 -0.04 1.70 0.52 -0.16 -0.79 118.95 122.43 2cwu s ARG 154 Ca -0.02 -0.76 0.05 0.00 -0.52 0.00 0.00 55.73 54.48 2cwu s ARG 154 Cb -0.03 -2.60 -0.01 0.00 0.52 0.00 0.00 34.95 32.83 2cwu s ARG 154 CO -0.00 0.57 -0.20 0.20 0.02 0.00 0.00 175.30 175.88 2cwu s GLY 155 N -2.13 1.04 -0.06 -3.53 0.00 0.48 -0.91 107.32 102.21 2cwu s GLY 155 Ca 0.25 -0.85 0.05 0.00 0.00 0.00 0.00 44.72 44.18 2cwu s GLY 155 CO 0.17 -0.57 -0.23 1.08 0.00 0.00 0.00 173.10 173.55 2cwu s LEU 156 N -0.21 2.04 0.12 0.66 1.43 -1.17 -2.61 118.68 118.95 2cwu s LEU 156 Ca 0.01 -0.49 -0.10 0.00 -1.03 0.00 0.00 54.13 52.52 2cwu s LEU 156 Cb -0.11 -1.31 -0.06 0.00 0.03 0.00 0.00 46.19 44.75 2cwu s LEU 156 CO 0.01 0.22 0.46 0.00 0.23 0.00 0.00 176.35 177.26 2cwu s ALA 157 N -0.05 3.67 -0.01 4.21 0.00 -1.26 -0.80 121.76 127.52 2cwu s ALA 157 Ca -0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 2cwu s ALA 157 Cb -0.14 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.64 2cwu s ALA 157 CO 0.04 0.54 0.02 -0.06 0.00 0.00 0.00 175.76 176.30 2cwu s PHE 158 N -1.51 -0.02 -0.13 0.00 0.08 0.13 -1.04 117.98 115.49 2cwu s PHE 158 Ca 0.37 0.05 -0.16 0.00 0.12 0.00 0.00 56.93 57.32 2cwu s PHE 158 Cb -0.14 -0.00 -0.05 0.00 -0.57 0.00 0.00 43.02 42.27 2cwu s PHE 158 CO 0.19 -0.01 0.38 0.08 -0.10 0.00 0.00 175.22 175.76 2cwu s VAL 159 N 0.05 5.23 -0.32 -0.44 1.01 -0.18 -0.25 120.40 125.50 2cwu s VAL 159 Ca -0.00 0.74 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 2cwu s VAL 159 Cb -0.01 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.73 2cwu s VAL 159 CO -0.00 0.38 0.04 -1.58 0.00 0.00 0.00 175.10 173.94 2cwu s GLN 160 N 0.38 2.22 0.36 2.72 0.74 0.06 -4.24 119.66 121.90 2cwu s GLN 160 Ca 0.21 -1.46 0.07 0.00 0.05 0.00 0.00 55.36 54.23 2cwu s GLN 160 Cb -0.14 -3.25 0.69 0.00 1.10 0.00 0.00 33.01 31.42 2cwu s GLN 160 CO 0.07 -0.75 1.90 -0.44 -0.55 0.00 0.00 175.29 175.53 2cwu h ASP 161 N 7.95 0.37 -5.16 6.67 3.32 -1.89 -3.44 116.42 124.24 2cwu h ASP 161 Ca -0.17 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.74 2cwu h ASP 161 Cb 1.05 -0.10 -0.12 0.00 0.22 0.00 0.00 39.33 40.38 2cwu h ASP 161 CO 0.56 0.47 -0.18 0.72 -1.72 0.00 0.00 179.24 179.10 2cwu s PHE 162 N -4.88 0.11 0.38 4.55 -0.71 -1.26 -5.03 117.98 111.13 2cwu s PHE 162 Ca -0.07 -0.46 0.21 0.00 -1.04 0.00 0.00 56.93 55.56 2cwu s PHE 162 Cb 0.15 0.13 1.25 0.00 -1.21 0.00 0.00 43.02 43.35 2cwu s PHE 162 CO 0.75 -0.75 1.64 -1.00 -1.34 0.00 0.00 175.22 174.51 2cwu h PRO 163 N 2.44 0.17 -0.70 1.99 0.13 -2.02 0.04 132.00 134.05 2cwu h PRO 163 Ca -0.31 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2cwu h PRO 163 Cb 1.24 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2cwu h PRO 163 CO 0.46 0.12 0.00 0.39 -0.23 0.00 0.00 178.00 178.73 2cwu n GLU 164 N -4.99 2.68 -2.65 0.86 1.02 -1.26 -4.98 120.64 111.33 2cwu n GLU 164 Ca 0.35 -2.60 -0.36 0.00 -0.02 0.00 0.00 57.16 54.52 2cwu n GLU 164 Cb 1.18 -1.56 -0.05 0.00 -0.02 0.00 0.00 31.44 30.98 2cwu n GLU 164 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2cwu s ASP 165 N -1.04 6.98 -0.61 1.62 2.15 -0.00 -5.00 116.67 120.77 2cwu s ASP 165 Ca 0.48 1.94 -0.23 0.00 0.43 0.00 0.00 52.55 55.17 2cwu s ASP 165 Cb 0.25 -2.58 0.06 0.00 -0.30 0.00 0.00 42.92 40.35 2cwu s ASP 165 CO 0.33 -0.33 0.93 -0.55 -0.17 0.00 0.00 175.17 175.38 2cwu s SER 166 N -1.63 6.23 0.58 -0.34 0.15 -1.26 -4.87 113.70 112.56 2cwu s SER 166 Ca 0.55 -0.76 0.27 0.00 0.70 0.00 0.00 55.95 56.72 2cwu s SER 166 Cb -0.20 -2.42 1.69 0.00 -1.71 0.00 0.00 66.02 63.39 2cwu s SER 166 CO 0.25 -1.33 2.20 0.00 1.20 0.00 0.00 173.24 175.56 2cwu h ALA 167 N 9.44 1.69 -0.01 5.45 0.00 -1.95 -2.40 119.26 131.48 2cwu h ALA 167 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2cwu h ALA 167 Cb 1.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2cwu h ALA 167 CO 1.13 -0.08 0.02 -1.49 0.00 0.00 0.00 179.25 178.84 2cwu h TRP 168 N 0.00 0.00 0.00 0.00 4.06 -1.90 -0.01 115.95 118.09 2cwu h TRP 168 Ca 0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.97 2cwu h TRP 168 Cb 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.29 2cwu h TRP 168 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 2cwu h ALA 169 N 1.96 1.00 -2.18 1.49 0.00 -1.75 -3.36 119.26 116.41 2cwu h ALA 169 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2cwu h ALA 169 Cb 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.42 2cwu h ALA 169 CO -0.00 0.00 -0.76 0.72 0.00 0.00 0.00 179.25 179.21 2cwu n HIS 170 N -2.30 2.88 -2.26 0.00 8.25 -0.02 -4.50 115.22 117.26 2cwu n HIS 170 Ca 0.04 -3.97 -0.36 0.00 -0.26 0.00 0.00 57.72 53.16 2cwu n HIS 170 Cb 0.32 -0.49 -0.00 0.00 1.12 0.00 0.00 29.99 30.95 2cwu n HIS 170 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2cwu s PRO 171 N -2.78 3.53 -0.66 -0.41 0.04 -1.26 -1.01 135.00 132.45 2cwu s PRO 171 Ca 0.43 1.68 -0.07 0.00 0.04 0.00 0.00 61.00 63.08 2cwu s PRO 171 Cb 0.24 -2.17 0.17 0.00 0.04 0.00 0.00 34.50 32.78 2cwu s PRO 171 CO -0.09 -0.72 0.52 0.08 0.04 0.00 0.00 177.00 176.84 2cwu s VAL 172 N -1.68 4.40 0.83 -0.36 1.01 -0.21 -4.32 120.40 120.08 2cwu s VAL 172 Ca 0.69 -2.59 -0.12 0.00 0.00 0.00 0.00 61.98 59.96 2cwu s VAL 172 Cb -0.26 -3.81 0.09 0.00 0.00 0.00 0.00 36.38 32.40 2cwu s VAL 172 CO 0.30 -0.91 1.13 -0.62 0.00 0.00 0.00 175.10 175.01 2cwu s ASP 173 N 1.52 4.24 -0.15 3.32 -1.08 -1.26 -4.01 116.67 119.25 2cwu s ASP 173 Ca 0.15 1.01 0.00 0.00 -0.52 0.00 0.00 52.55 53.20 2cwu s ASP 173 Cb -0.18 -1.63 0.00 0.00 -1.46 0.00 0.00 42.92 39.65 2cwu s ASP 173 CO -0.05 -2.09 0.00 0.61 0.52 0.00 0.00 175.17 174.16 2cwu n GLY 174 N -2.58 0.44 2.83 2.66 0.00 -1.26 -4.27 105.19 103.01 2cwu n GLY 174 Ca 0.07 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 2cwu n GLY 174 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cwu s LEU 175 N -0.33 1.33 -0.12 0.99 2.96 -1.26 -0.73 118.68 121.53 2cwu s LEU 175 Ca 0.00 0.06 -0.23 0.00 -0.22 0.00 0.00 54.13 53.74 2cwu s LEU 175 Cb 0.00 0.02 0.06 0.00 0.50 0.00 0.00 46.19 46.76 2cwu s LEU 175 CO 0.00 -0.09 0.57 0.54 -1.32 0.00 0.00 176.35 176.05 2cwu s VAL 176 N 0.72 0.01 0.06 1.68 0.11 -0.59 -4.61 120.40 117.78 2cwu s VAL 176 Ca -0.06 -0.09 0.03 0.00 -2.93 0.00 0.00 61.98 58.92 2cwu s VAL 176 Cb -0.08 -0.85 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 2cwu s VAL 176 CO -0.02 -0.05 -0.08 0.00 -3.33 0.00 0.00 175.10 171.61 2cwu s ALA 177 N -0.58 0.77 -0.07 1.54 0.00 -1.07 -0.15 121.76 122.20 2cwu s ALA 177 Ca -0.07 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 50.99 2cwu s ALA 177 Cb -0.03 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2cwu s ALA 177 CO 0.05 -0.04 -0.18 0.71 0.00 0.00 0.00 175.76 176.30 2cwu s TYR 178 N -1.90 2.62 -0.00 0.00 2.02 0.38 -0.39 117.35 120.08 2cwu s TYR 178 Ca -0.04 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.26 2cwu s TYR 178 Cb -0.06 -1.65 -0.01 0.00 -0.40 0.00 0.00 41.96 39.83 2cwu s TYR 178 CO -0.00 -0.02 -0.09 0.14 -1.57 0.00 0.00 175.55 174.00 2cwu s VAL 179 N -0.34 0.71 -0.52 0.71 -7.23 0.03 -1.34 120.40 112.42 2cwu s VAL 179 Ca 0.03 -0.45 -0.20 0.00 -1.81 0.00 0.00 61.98 59.55 2cwu s VAL 179 Cb -0.12 -0.61 0.06 0.00 0.56 0.00 0.00 36.38 36.26 2cwu s VAL 179 CO 0.02 0.15 0.68 -0.62 -0.31 0.00 0.00 175.10 175.03 2cwu s ASP 180 N -0.34 6.24 0.52 4.85 -1.08 0.01 -1.43 116.67 125.45 2cwu s ASP 180 Ca 0.03 -0.82 0.34 0.00 -0.52 0.00 0.00 52.55 51.58 2cwu s ASP 180 Cb -0.04 -2.32 1.59 0.00 -1.46 0.00 0.00 42.92 40.69 2cwu s ASP 180 CO -0.00 -0.96 2.02 -0.37 0.52 0.00 0.00 175.17 176.39 2cwu h VAL 181 N 5.89 0.00 0.01 1.11 -1.51 -1.53 0.10 116.25 120.32 2cwu h VAL 181 Ca -0.27 -0.29 -0.26 0.00 -1.23 0.00 0.00 66.70 64.65 2cwu h VAL 181 Cb 1.09 1.21 -0.04 0.00 -2.13 0.00 0.00 31.29 31.42 2cwu h VAL 181 CO 0.99 0.00 -1.40 1.33 -1.23 0.00 0.00 177.57 177.26 2cwu n VAL 182 N -2.89 1.55 0.80 7.19 0.24 -1.26 -4.07 118.33 119.88 2cwu n VAL 182 Ca -0.00 -0.09 0.12 0.00 -2.04 0.00 0.00 64.34 62.32 2cwu n VAL 182 Cb 0.21 -2.01 0.50 0.00 -1.47 0.00 0.00 33.84 31.07 2cwu n VAL 182 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2cwu n SER 183 N -4.36 0.07 -3.52 -1.34 3.41 -1.23 -4.92 113.62 101.72 2cwu n SER 183 Ca -0.34 0.51 -0.19 0.00 -0.26 0.00 0.00 58.87 58.59 2cwu n SER 183 Cb 0.72 -0.53 0.06 0.00 -0.26 0.00 0.00 64.21 64.21 2cwu n SER 183 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2cwu n LYS 184 N -1.56 -5.33 -4.12 4.33 5.02 -0.00 -5.02 118.16 111.47 2cwu n LYS 184 Ca 0.06 0.75 -0.15 0.00 -2.02 0.00 0.00 58.31 56.95 2cwu n LYS 184 Cb 0.29 -5.54 -0.12 0.00 -0.02 0.00 0.00 35.03 29.63 2cwu n LYS 184 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2cwu s GLU 185 N -5.51 0.55 -0.47 1.97 -1.05 -1.06 -4.99 118.70 108.14 2cwu s GLU 185 Ca 0.07 -0.61 -0.24 0.00 -0.15 0.00 0.00 54.97 54.04 2cwu s GLU 185 Cb -0.01 -0.40 0.03 0.00 -0.44 0.00 0.00 34.13 33.31 2cwu s GLU 185 CO 0.77 0.09 0.84 0.08 0.95 0.00 0.00 175.26 177.98 2cwu s VAL 186 N -0.99 4.57 0.17 1.83 1.01 -1.26 -0.81 120.40 124.92 2cwu s VAL 186 Ca -0.05 0.47 -0.01 0.00 0.00 0.00 0.00 61.98 62.39 2cwu s VAL 186 Cb -0.08 -4.38 -0.12 0.00 0.00 0.00 0.00 36.38 31.81 2cwu s VAL 186 CO 0.00 -0.80 1.41 0.71 0.00 0.00 0.00 175.10 176.43 2cwu h THR 187 N 6.01 1.40 -2.32 3.92 1.35 -1.57 -3.47 112.91 118.23 2cwu h THR 187 Ca -0.25 -2.25 -0.08 0.00 -0.55 0.00 0.00 66.41 63.29 2cwu h THR 187 Cb 1.08 2.20 -0.20 0.00 -1.73 0.00 0.00 68.15 69.50 2cwu h THR 187 CO 0.99 0.67 0.02 -0.13 -0.25 0.00 0.00 175.52 176.83 2cwu s ARG 188 N -3.51 0.86 -0.15 4.72 0.52 -1.16 -4.99 118.95 115.24 2cwu s ARG 188 Ca -0.05 0.34 -0.02 0.00 -0.52 0.00 0.00 55.73 55.49 2cwu s ARG 188 Cb 0.10 0.40 0.04 0.00 0.52 0.00 0.00 34.95 36.02 2cwu s ARG 188 CO 0.84 -0.22 -0.00 0.08 0.02 0.00 0.00 175.30 176.01 2cwu s VAL 189 N -0.74 0.69 -0.20 3.52 1.01 -1.26 -0.47 120.40 122.95 2cwu s VAL 189 Ca -0.08 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 2cwu s VAL 189 Cb -0.02 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2cwu s VAL 189 CO 0.06 0.04 0.02 -0.63 0.00 0.00 0.00 175.10 174.58 2cwu s ILE 190 N 1.81 4.18 -0.27 2.22 1.09 0.78 -5.00 121.20 126.00 2cwu s ILE 190 Ca 0.01 -0.24 0.01 0.00 -1.10 0.00 0.00 60.65 59.33 2cwu s ILE 190 Cb -0.15 -2.89 0.08 0.00 -1.06 0.00 0.00 42.46 38.44 2cwu s ILE 190 CO -0.07 0.43 0.00 -0.62 -0.10 0.00 0.00 174.94 174.58 2cwu s ASP 191 N 0.85 4.01 0.00 3.58 -1.08 -1.26 -1.55 116.67 121.22 2cwu s ASP 191 Ca 0.01 -1.44 0.28 0.00 -0.52 0.00 0.00 52.55 50.88 2cwu s ASP 191 Cb -0.14 -1.17 0.99 0.00 -1.46 0.00 0.00 42.92 41.14 2cwu s ASP 191 CO 0.02 -0.30 1.71 0.35 0.52 0.00 0.00 175.17 177.46 2cwu n THR 192 N 4.65 0.00 0.00 1.71 -2.24 0.09 -5.01 114.28 113.48 2cwu n THR 192 Ca -0.07 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2cwu n THR 192 Cb 0.43 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 2cwu n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cwu n GLY 193 N 1.23 4.28 3.74 3.38 0.00 -1.24 -5.04 105.19 111.53 2cwu n GLY 193 Ca 0.16 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 2cwu n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cwu s VAL 194 N -2.13 4.21 -0.03 1.61 1.01 -1.26 -4.32 120.40 119.50 2cwu s VAL 194 Ca 0.00 1.98 0.05 0.00 0.00 0.00 0.00 61.98 64.01 2cwu s VAL 194 Cb 0.00 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 2cwu s VAL 194 CO 0.00 0.37 -0.17 -0.36 0.00 0.00 0.00 175.10 174.94 2cwu s PHE 195 N -0.47 1.60 0.37 5.22 0.40 -1.26 -5.03 117.98 118.81 2cwu s PHE 195 Ca 0.45 -0.38 -0.28 0.00 -0.60 0.00 0.00 56.93 56.13 2cwu s PHE 195 Cb -0.26 -1.06 -0.11 0.00 0.51 0.00 0.00 43.02 42.11 2cwu s PHE 195 CO 0.32 -0.09 1.43 -2.30 0.70 0.00 0.00 175.22 175.28 2cwu n PRO 196 N 2.90 2.51 -2.93 0.24 -0.02 -1.26 -4.67 135.00 131.77 2cwu n PRO 196 Ca -0.16 0.88 -0.41 0.00 -2.02 0.00 0.00 63.50 61.78 2cwu n PRO 196 Cb 0.54 -2.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.39 2cwu n PRO 196 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2cwu s VAL 197 N -1.12 4.88 -0.10 -1.45 1.01 -1.26 -4.84 120.40 117.53 2cwu s VAL 197 Ca 0.54 1.51 -0.40 0.00 0.00 0.00 0.00 61.98 63.62 2cwu s VAL 197 Cb -0.50 -4.09 -0.18 0.00 0.00 0.00 0.00 36.38 31.61 2cwu s VAL 197 CO 0.63 -0.02 1.34 -2.65 0.00 0.00 0.00 175.10 174.40 2cwu n PRO 198 N 5.67 0.50 0.11 2.72 -0.02 -1.26 -4.90 135.00 137.81 2cwu n PRO 198 Ca 0.04 0.18 -0.22 0.00 -2.02 0.00 0.00 63.50 61.48 2cwu n PRO 198 Cb 0.48 -1.75 -0.15 0.00 -0.02 0.00 0.00 33.50 32.06 2cwu n PRO 198 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cwu h ALA 199 N 4.39 0.03 -2.97 3.55 0.00 -1.83 -3.40 119.26 119.02 2cwu h ALA 199 Ca -0.48 -0.98 -0.54 0.00 0.00 0.00 0.00 54.91 52.90 2cwu h ALA 199 Cb 1.38 0.26 0.12 0.00 0.00 0.00 0.00 17.79 19.54 2cwu h ALA 199 CO 0.79 0.89 0.64 -1.21 0.00 0.00 0.00 179.25 180.36 2cwu s GLU 200 N -2.60 3.53 0.47 0.00 2.02 -1.26 -5.01 118.70 115.85 2cwu s GLU 200 Ca -0.10 2.28 -0.04 0.00 0.02 0.00 0.00 54.97 57.12 2cwu s GLU 200 Cb 0.05 -2.51 -0.03 0.00 0.10 0.00 0.00 34.13 31.74 2cwu s GLU 200 CO 0.90 -0.90 0.77 -3.38 0.02 0.00 0.00 175.26 172.67 2cwu s HIS 201 N -1.27 3.52 -0.32 1.61 -3.43 -1.26 -4.75 115.29 109.40 2cwu s HIS 201 Ca 0.64 0.73 0.10 0.00 -0.80 0.00 0.00 55.06 55.74 2cwu s HIS 201 Cb -0.41 -2.29 0.46 0.00 -1.43 0.00 0.00 32.58 28.91 2cwu s HIS 201 CO 0.51 -0.28 1.14 0.41 -2.00 0.00 0.00 174.74 174.52 2cwu n GLY 202 N -2.23 5.10 3.47 -1.38 0.00 -1.26 -4.99 105.19 103.90 2cwu n GLY 202 Ca 0.00 -2.29 -0.43 0.00 0.00 0.00 0.00 46.02 43.30 2cwu n GLY 202 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cwu s ASN 203 N -3.59 6.47 0.00 1.61 0.01 -1.26 -4.78 114.94 113.39 2cwu s ASN 203 Ca 0.44 -1.62 0.09 0.00 -0.71 0.00 0.00 52.86 51.06 2cwu s ASN 203 Cb 0.39 -2.43 0.51 0.00 0.41 0.00 0.00 41.25 40.13 2cwu s ASN 203 CO -0.02 -1.25 1.01 0.00 -1.51 0.00 0.00 177.10 175.32 2cwu n TYR 204 N 7.28 0.00 0.47 2.20 0.18 -1.26 -1.51 117.16 124.52 2cwu n TYR 204 Ca 0.17 0.00 0.07 0.00 1.88 0.00 0.00 57.90 60.01 2cwu n TYR 204 Cb 0.48 -0.05 0.07 0.00 -0.38 0.00 0.00 39.34 39.45 2cwu n TYR 204 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 2cwu n THR 205 N -1.05 0.09 -2.82 -3.48 -2.24 -1.26 -4.75 114.28 98.76 2cwu n THR 205 Ca 0.06 -0.55 -0.42 0.00 -2.27 0.00 0.00 64.05 60.88 2cwu n THR 205 Cb 0.04 1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 69.43 2cwu n THR 205 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cwu s ASP 206 N -1.08 6.94 0.55 3.42 -1.08 -0.57 -4.94 116.67 119.91 2cwu s ASP 206 Ca 0.16 1.17 0.31 0.00 -0.52 0.00 0.00 52.55 53.67 2cwu s ASP 206 Cb 0.11 -2.47 1.47 0.00 -1.46 0.00 0.00 42.92 40.57 2cwu s ASP 206 CO 0.16 -0.54 1.89 -0.65 0.52 0.00 0.00 175.17 176.56 2cwu h PRO 207 N 7.54 0.00 0.00 4.34 0.11 -1.89 0.15 132.00 142.25 2cwu h PRO 207 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2cwu h PRO 207 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2cwu h PRO 207 CO 0.90 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.74 2cwu h GLU 208 N 0.00 0.00 0.00 1.05 4.11 -1.92 0.39 114.58 118.21 2cwu h GLU 208 Ca 0.37 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.45 2cwu h GLU 208 Cb 1.57 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.75 2cwu h GLU 208 CO -0.00 0.00 -2.34 -0.11 0.07 0.00 0.00 179.01 176.63 2cwu n LEU 209 N -2.92 2.57 0.07 3.06 7.94 0.39 -4.52 117.00 123.60 2cwu n LEU 209 Ca 0.01 -0.11 -0.08 0.00 -1.11 0.00 0.00 56.01 54.72 2cwu n LEU 209 Cb 0.31 -0.65 -0.10 0.00 0.53 0.00 0.00 43.42 43.51 2cwu n LEU 209 CO 0.26 0.84 0.15 0.71 -1.11 0.00 0.00 177.39 178.24 2cwu h THR 210 N 0.00 1.66 -0.57 1.96 1.35 -1.23 -3.50 112.91 112.58 2cwu h THR 210 Ca -0.52 -3.25 0.03 0.00 -0.55 0.00 0.00 66.41 62.12 2cwu h THR 210 Cb 1.86 2.79 -0.01 0.00 -1.73 0.00 0.00 68.15 71.07 2cwu h THR 210 CO -0.07 0.93 -0.04 0.61 -0.25 0.00 0.00 175.52 176.70 2cwu n GLY 211 N 1.27 -1.93 3.74 5.82 0.00 0.14 -4.76 105.19 109.46 2cwu n GLY 211 Ca -0.01 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 2cwu n GLY 211 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2cwu s PRO 212 N -0.40 4.12 0.46 1.61 0.02 -1.26 -4.86 135.00 134.68 2cwu s PRO 212 Ca 0.00 2.58 -0.22 0.00 0.02 0.00 0.00 61.00 63.38 2cwu s PRO 212 Cb 0.00 -3.04 -0.08 0.00 0.02 0.00 0.00 34.50 31.40 2cwu s PRO 212 CO 0.00 -0.66 1.11 -0.51 -0.33 0.00 0.00 177.00 176.61 2cwu s LEU 213 N -0.03 3.99 0.41 -5.54 1.43 -1.26 -4.98 118.68 112.69 2cwu s LEU 213 Ca 0.66 2.16 -0.26 0.00 -1.03 0.00 0.00 54.13 55.67 2cwu s LEU 213 Cb -0.48 -4.31 -0.09 0.00 0.03 0.00 0.00 46.19 41.34 2cwu s LEU 213 CO 0.43 -0.81 1.31 -0.13 0.23 0.00 0.00 176.35 177.38 2cwu s ARG 214 N -2.78 3.96 -0.01 1.70 0.52 -1.26 -4.92 118.95 116.16 2cwu s ARG 214 Ca 0.64 2.18 0.01 0.00 -0.52 0.00 0.00 55.73 58.04 2cwu s ARG 214 Cb -0.24 -2.76 0.02 0.00 0.52 0.00 0.00 34.95 32.48 2cwu s ARG 214 CO 0.30 -0.51 0.99 0.25 0.02 0.00 0.00 175.30 176.35 2cwu n THR 215 N 0.13 1.02 0.67 0.02 -2.24 -1.26 -4.71 114.28 107.91 2cwu n THR 215 Ca 0.04 -1.05 0.12 0.00 -2.27 0.00 0.00 64.05 60.89 2cwu n THR 215 Cb 0.43 0.47 0.21 0.00 -2.10 0.00 0.00 70.33 69.34 2cwu n THR 215 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2cwu n THR 216 N -0.55 0.28 -2.67 4.28 -2.24 -1.26 -4.86 114.28 107.26 2cwu n THR 216 Ca 0.01 -0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 2cwu n THR 216 Cb 0.29 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 2cwu n THR 216 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2cwu s GLN 217 N -3.13 3.77 0.36 -0.78 -0.21 -1.26 -5.02 119.66 113.38 2cwu s GLN 217 Ca 0.07 0.59 -0.17 0.00 0.02 0.00 0.00 55.36 55.87 2cwu s GLN 217 Cb 0.14 -3.87 -0.10 0.00 1.00 0.00 0.00 33.01 30.19 2cwu s GLN 217 CO 0.71 -1.21 0.81 0.15 -2.12 0.00 0.00 175.29 173.62 2cwu s LYS 218 N 4.06 4.09 0.58 2.91 -0.14 -1.26 -5.03 119.74 124.95 2cwu s LYS 218 Ca 0.44 0.83 -0.19 0.00 -1.36 0.00 0.00 55.97 55.69 2cwu s LYS 218 Cb -0.09 -2.36 -0.04 0.00 -1.68 0.00 0.00 37.83 33.66 2cwu s LYS 218 CO 0.26 0.10 1.20 -1.25 -0.76 0.00 0.00 175.35 174.90 2cwu s PRO 219 N -3.02 3.05 -0.21 -1.68 0.04 -1.26 -5.03 135.00 126.88 2cwu s PRO 219 Ca 0.57 1.80 0.01 0.00 0.04 0.00 0.00 61.00 63.42 2cwu s PRO 219 Cb -0.10 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.52 2cwu s PRO 219 CO 0.16 -1.14 -0.14 0.42 0.04 0.00 0.00 177.00 176.34 2cwu s ILE 220 N -1.61 1.93 -0.30 0.56 1.01 -1.26 -5.10 121.20 116.42 2cwu s ILE 220 Ca 0.76 -1.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.15 2cwu s ILE 220 Cb -0.30 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 2cwu s ILE 220 CO 0.32 0.26 0.25 -0.55 0.00 0.00 0.00 174.94 175.22 2cwu s SER 221 N 1.28 6.08 -0.25 3.58 0.15 -1.26 -5.05 113.70 118.24 2cwu s SER 221 Ca -0.01 -0.10 -0.03 0.00 0.70 0.00 0.00 55.95 56.51 2cwu s SER 221 Cb -0.16 -2.15 0.01 0.00 -1.71 0.00 0.00 66.02 62.02 2cwu s SER 221 CO -0.09 -0.15 -0.03 -0.63 1.20 0.00 0.00 173.24 173.53 2cwu s ILE 222 N 1.83 3.21 0.13 6.45 -1.09 -1.26 -5.10 121.20 125.37 2cwu s ILE 222 Ca 0.09 -0.81 -0.03 0.00 -2.23 0.00 0.00 60.65 57.66 2cwu s ILE 222 Cb -0.16 -2.59 -0.03 0.00 -1.58 0.00 0.00 42.46 38.10 2cwu s ILE 222 CO 0.11 0.24 0.10 0.42 -1.23 0.00 0.00 174.94 174.57 2cwu s THR 223 N 1.40 0.11 -0.38 2.92 -4.23 -1.26 -4.21 115.64 109.99 2cwu s THR 223 Ca 0.02 -1.77 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 2cwu s THR 223 Cb -0.16 -1.93 0.13 0.00 1.34 0.00 0.00 72.50 71.89 2cwu s THR 223 CO -0.03 -0.49 0.21 -1.10 -0.54 0.00 0.00 174.62 172.67 2cwu s GLN 224 N -4.01 0.87 0.51 3.99 -0.21 -1.26 -4.95 119.66 114.60 2cwu s GLN 224 Ca 0.20 -1.57 0.28 0.00 0.02 0.00 0.00 55.36 54.29 2cwu s GLN 224 Cb 0.07 -1.82 1.38 0.00 1.00 0.00 0.00 33.01 33.64 2cwu s GLN 224 CO -0.00 -1.16 1.88 -1.00 -2.12 0.00 0.00 175.29 172.89 2cwu h PRO 225 N 7.05 0.10 -0.46 2.91 0.13 -2.04 -0.06 132.00 139.64 2cwu h PRO 225 Ca -0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2cwu h PRO 225 Cb 0.96 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2cwu h PRO 225 CO 0.39 0.07 0.00 0.39 -0.23 0.00 0.00 178.00 178.61 2cwu n GLU 226 N -4.34 3.00 0.00 0.86 1.02 -1.26 -5.09 120.64 114.83 2cwu n GLU 226 Ca 0.19 -2.42 0.00 0.00 -0.02 0.00 0.00 57.16 54.91 2cwu n GLU 226 Cb 0.89 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 2cwu n GLU 226 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cwu n GLY 227 N 0.68 -1.02 3.78 0.62 0.00 -0.04 -4.97 105.19 104.25 2cwu n GLY 227 Ca 0.18 -1.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 2cwu n GLY 227 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cwu s PRO 228 N -1.32 2.55 0.00 1.61 0.04 -1.26 -4.90 135.00 131.72 2cwu s PRO 228 Ca 0.00 1.20 0.27 0.00 0.04 0.00 0.00 61.00 62.51 2cwu s PRO 228 Cb 0.00 -1.93 0.81 0.00 0.04 0.00 0.00 34.50 33.42 2cwu s PRO 228 CO 0.00 -1.42 1.63 0.43 0.04 0.00 0.00 177.00 177.68 2cwu n SER 229 N -3.09 0.29 -4.94 6.66 7.64 -1.26 -4.87 113.62 114.06 2cwu n SER 229 Ca 0.09 0.06 -0.26 0.00 1.01 0.00 0.00 58.87 59.77 2cwu n SER 229 Cb 0.53 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.63 2cwu n SER 229 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2cwu s PHE 230 N -3.00 3.49 0.08 1.43 -0.12 -1.26 -4.65 117.98 113.94 2cwu s PHE 230 Ca 0.12 0.14 0.09 0.00 -0.05 0.00 0.00 56.93 57.23 2cwu s PHE 230 Cb 0.18 -1.69 -0.03 0.00 -0.63 0.00 0.00 43.02 40.85 2cwu s PHE 230 CO 0.63 0.51 -0.22 0.95 -0.05 0.00 0.00 175.22 177.04 2cwu s THR 231 N -1.73 2.55 -0.18 -4.49 -4.23 -0.61 -4.98 115.64 101.97 2cwu s THR 231 Ca 0.35 -1.42 0.01 0.00 -1.18 0.00 0.00 61.69 59.44 2cwu s THR 231 Cb -0.11 -2.09 0.03 0.00 1.34 0.00 0.00 72.50 71.67 2cwu s THR 231 CO 0.28 0.24 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.79 2cwu s VAL 232 N -0.98 1.63 0.19 2.29 1.01 -1.26 -2.21 120.40 121.09 2cwu s VAL 232 Ca 0.15 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.33 2cwu s VAL 232 Cb -0.10 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 2cwu s VAL 232 CO 0.06 0.28 -0.15 0.42 0.00 0.00 0.00 175.10 175.71 2cwu s THR 233 N 1.42 1.76 -1.80 3.92 -4.23 -0.46 -4.70 115.64 111.55 2cwu s THR 233 Ca 0.01 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 2cwu s THR 233 Cb -0.15 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.71 2cwu s THR 233 CO -0.09 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 2cwu n GLY 234 N -0.18 1.66 3.27 3.99 0.00 -1.26 -0.67 105.19 111.99 2cwu n GLY 234 Ca -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2cwu n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cwu n GLY 235 N -0.62 1.95 0.13 -0.02 0.00 -1.26 -4.50 105.19 100.87 2cwu n GLY 235 Ca -0.17 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2cwu n GLY 235 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2cwu n ASN 236 N 1.35 0.00 -4.63 1.61 6.94 -1.14 -5.00 115.26 114.38 2cwu n ASN 236 Ca 0.00 -1.19 -0.40 0.00 -0.02 0.00 0.00 54.58 52.96 2cwu n ASN 236 Cb 0.00 -0.04 -0.07 0.00 -2.36 0.00 0.00 39.78 37.31 2cwu n ASN 236 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 2cwu s HIS 237 N 0.00 3.29 -0.10 -2.53 2.46 0.15 -1.23 115.29 117.33 2cwu s HIS 237 Ca 0.00 0.75 -0.04 0.00 0.47 0.00 0.00 55.06 56.24 2cwu s HIS 237 Cb 0.00 -2.78 -0.04 0.00 -0.13 0.00 0.00 32.58 29.64 2cwu s HIS 237 CO 0.00 -0.28 0.04 0.42 -2.47 0.00 0.00 174.74 172.44 2cwu s ILE 238 N 2.33 4.60 -0.07 0.89 -1.09 0.84 -1.36 121.20 127.34 2cwu s ILE 238 Ca 0.24 -0.13 -0.01 0.00 -2.23 0.00 0.00 60.65 58.52 2cwu s ILE 238 Cb -0.16 -2.97 0.03 0.00 -1.58 0.00 0.00 42.46 37.78 2cwu s ILE 238 CO 0.09 0.59 -0.02 -1.61 -1.23 0.00 0.00 174.94 172.76 2cwu s GLU 239 N -0.75 0.81 -0.21 2.79 2.02 -0.94 -1.68 118.70 120.75 2cwu s GLU 239 Ca 0.12 0.01 -0.08 0.00 0.02 0.00 0.00 54.97 55.04 2cwu s GLU 239 Cb -0.12 -1.07 0.09 0.00 0.10 0.00 0.00 34.13 33.14 2cwu s GLU 239 CO 0.02 -0.26 0.47 -0.46 0.02 0.00 0.00 175.26 175.05 2cwu s TRP 240 N 1.75 -0.86 -1.22 1.61 -0.00 -0.41 -1.57 118.94 118.25 2cwu s TRP 240 Ca 0.02 1.63 -0.28 0.00 -0.00 0.00 0.00 56.10 57.48 2cwu s TRP 240 Cb -0.13 0.39 0.04 0.00 -0.00 0.00 0.00 33.47 33.77 2cwu s TRP 240 CO -0.05 -0.49 0.53 0.39 -0.00 0.00 0.00 176.95 177.33 2cwu n GLU 241 N 5.15 -0.36 0.00 5.86 -0.58 -1.26 0.04 120.64 129.48 2cwu n GLU 241 Ca -0.12 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 2cwu n GLU 241 Cb 0.51 -2.47 0.00 0.00 -0.57 0.00 0.00 31.44 28.90 2cwu n GLU 241 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2cwu n LYS 242 N -4.82 0.00 -2.79 3.49 5.02 -1.26 -4.94 118.16 112.86 2cwu n LYS 242 Ca -0.14 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.82 2cwu n LYS 242 Cb 0.56 -1.08 -0.06 0.00 -0.02 0.00 0.00 35.03 34.43 2cwu n LYS 242 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2cwu s TRP 243 N -1.67 3.34 -0.07 2.13 0.52 0.11 0.01 118.94 123.30 2cwu s TRP 243 Ca 0.00 1.54 -0.04 0.00 0.02 0.00 0.00 56.10 57.61 2cwu s TRP 243 Cb 0.00 -2.80 0.03 0.00 -1.15 0.00 0.00 33.47 29.55 2cwu s TRP 243 CO 0.00 -0.13 0.16 0.45 0.02 0.00 0.00 176.95 177.45 2cwu s SER 244 N -2.35 -0.15 0.09 2.95 0.15 -0.36 -1.29 113.70 112.74 2cwu s SER 244 Ca 0.60 0.33 -0.27 0.00 0.70 0.00 0.00 55.95 57.32 2cwu s SER 244 Cb -0.09 0.28 0.08 0.00 -1.71 0.00 0.00 66.02 64.58 2cwu s SER 244 CO 0.17 -0.10 1.08 -1.48 1.20 0.00 0.00 173.24 174.10 2cwu s LEU 245 N 0.63 -0.13 -0.08 3.45 2.34 -0.67 -0.72 118.68 123.50 2cwu s LEU 245 Ca -0.05 -0.32 0.04 0.00 0.06 0.00 0.00 54.13 53.87 2cwu s LEU 245 Cb -0.06 1.88 -0.00 0.00 -0.56 0.00 0.00 46.19 47.45 2cwu s LEU 245 CO -0.03 -0.69 -0.22 -1.81 -1.06 0.00 0.00 176.35 172.54 2cwu s ASP 246 N -2.97 2.79 -0.48 1.48 1.01 -0.25 -0.11 116.67 118.14 2cwu s ASP 246 Ca 0.13 -0.49 -0.18 0.00 0.71 0.00 0.00 52.55 52.72 2cwu s ASP 246 Cb 0.01 -1.13 0.06 0.00 1.01 0.00 0.00 42.92 42.86 2cwu s ASP 246 CO 0.00 0.16 0.52 -0.69 0.21 0.00 0.00 175.17 175.37 2cwu s VAL 247 N 0.26 5.02 0.40 -1.27 1.01 -0.36 -0.64 120.40 124.83 2cwu s VAL 247 Ca -0.14 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.29 2cwu s VAL 247 Cb -0.16 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.02 2cwu s VAL 247 CO 0.06 -0.67 0.55 -0.83 0.00 0.00 0.00 175.10 174.22 2cwu s GLY 248 N 2.50 1.87 -0.06 4.51 0.00 0.14 -4.80 107.32 111.47 2cwu s GLY 248 Ca 0.11 -1.62 -0.03 0.00 0.00 0.00 0.00 44.72 43.19 2cwu s GLY 248 CO 0.11 -1.46 0.14 -0.12 0.00 0.00 0.00 173.10 171.76 2cwu s PHE 249 N -2.31 -0.15 -0.01 1.90 5.36 -1.26 -0.79 117.98 120.72 2cwu s PHE 249 Ca 0.53 0.45 0.05 0.00 -0.96 0.00 0.00 56.93 57.00 2cwu s PHE 249 Cb -0.10 -0.09 -0.01 0.00 -0.34 0.00 0.00 43.02 42.48 2cwu s PHE 249 CO 0.33 -0.16 -0.16 0.34 -1.46 0.00 0.00 175.22 174.11 2cwu s ASP 250 N 1.13 1.89 0.55 6.13 2.15 -0.05 -4.91 116.67 123.56 2cwu s ASP 250 Ca -0.09 -0.29 0.23 0.00 0.43 0.00 0.00 52.55 52.82 2cwu s ASP 250 Cb -0.11 -0.23 1.52 0.00 -0.30 0.00 0.00 42.92 43.80 2cwu s ASP 250 CO -0.06 0.20 2.19 1.62 -0.17 0.00 0.00 175.17 178.95 2cwu h VAL 251 N 4.77 0.78 0.00 1.11 3.04 -1.86 0.48 116.25 124.57 2cwu h VAL 251 Ca -0.36 -0.04 -0.08 0.00 -1.01 0.00 0.00 66.70 65.22 2cwu h VAL 251 Cb 1.16 1.02 -0.01 0.00 -2.01 0.00 0.00 31.29 31.44 2cwu h VAL 251 CO 0.48 0.01 -0.56 -0.09 -1.01 0.00 0.00 177.57 176.40 2cwu h ARG 252 N 0.00 0.00 0.00 4.17 2.43 -1.90 0.97 114.38 120.05 2cwu h ARG 252 Ca -0.00 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 2cwu h ARG 252 Cb 0.02 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2cwu h ARG 252 CO 0.00 0.59 -0.83 0.93 -1.51 0.00 0.00 179.97 179.15 2cwu h GLU 253 N -1.00 0.00 0.00 0.20 5.08 -1.83 -3.16 114.58 113.87 2cwu h GLU 253 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2cwu h GLU 253 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2cwu h GLU 253 CO -0.07 0.38 0.00 0.41 -1.00 0.00 0.00 179.01 178.72 2cwu n GLY 254 N 1.28 0.72 3.72 -3.84 0.00 0.17 -4.63 105.19 102.61 2cwu n GLY 254 Ca -0.02 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 2cwu n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cwu s VAL 255 N 0.00 3.33 -0.07 1.61 1.01 -1.26 -0.87 120.40 124.15 2cwu s VAL 255 Ca 0.00 0.98 0.03 0.00 0.00 0.00 0.00 61.98 62.99 2cwu s VAL 255 Cb 0.00 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.76 2cwu s VAL 255 CO 0.00 0.09 -0.16 -0.69 0.00 0.00 0.00 175.10 174.34 2cwu s VAL 256 N 0.89 1.39 -0.17 2.92 1.01 0.03 -4.67 120.40 121.81 2cwu s VAL 256 Ca 0.62 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 2cwu s VAL 256 Cb -0.36 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 2cwu s VAL 256 CO 0.32 0.41 0.23 -0.76 0.00 0.00 0.00 175.10 175.29 2cwu s LEU 257 N 0.45 4.24 0.13 3.92 1.43 -0.44 0.26 118.68 128.68 2cwu s LEU 257 Ca -0.13 0.41 0.10 0.00 -1.03 0.00 0.00 54.13 53.47 2cwu s LEU 257 Cb -0.15 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 2cwu s LEU 257 CO 0.04 0.14 -0.21 -1.00 0.23 0.00 0.00 176.35 175.56 2cwu s HIS 258 N 0.35 2.46 -1.43 0.29 3.76 0.19 -0.74 115.29 120.17 2cwu s HIS 258 Ca 0.13 -0.30 -0.01 0.00 -0.15 0.00 0.00 55.06 54.73 2cwu s HIS 258 Cb -0.12 -1.30 0.00 0.00 1.11 0.00 0.00 32.58 32.27 2cwu s HIS 258 CO 0.02 0.39 0.34 0.09 -0.85 0.00 0.00 174.74 174.73 2cwu n ASN 259 N 0.73 -0.22 -4.65 1.40 3.02 -0.20 -1.10 115.26 114.25 2cwu n ASN 259 Ca -0.16 -1.07 -0.43 0.00 -0.03 0.00 0.00 54.58 52.90 2cwu n ASN 259 Cb 0.53 -2.72 -0.03 0.00 -0.61 0.00 0.00 39.78 36.96 2cwu n ASN 259 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2cwu s ILE 260 N -4.04 3.70 0.07 2.41 -1.09 0.37 -4.05 121.20 118.59 2cwu s ILE 260 Ca 0.02 0.84 -0.01 0.00 -2.23 0.00 0.00 60.65 59.27 2cwu s ILE 260 Cb -0.01 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 2cwu s ILE 260 CO 0.91 -0.13 0.00 0.00 -1.23 0.00 0.00 174.94 174.50 2cwu s ALA 261 N 4.29 0.57 -0.07 9.38 0.00 0.10 -0.74 121.76 135.29 2cwu s ALA 261 Ca 0.71 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 51.43 2cwu s ALA 261 Cb -0.30 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.28 2cwu s ALA 261 CO 0.27 -0.41 -0.12 0.12 0.00 0.00 0.00 175.76 175.62 2cwu s PHE 262 N -3.95 1.49 -0.72 0.00 2.19 0.44 -1.23 117.98 116.20 2cwu s PHE 262 Ca 0.12 -0.58 -0.27 0.00 0.33 0.00 0.00 56.93 56.52 2cwu s PHE 262 Cb 0.08 -1.11 0.03 0.00 -1.31 0.00 0.00 43.02 40.71 2cwu s PHE 262 CO -0.07 -0.32 1.25 0.50 1.83 0.00 0.00 175.22 178.42 2cwu s ARG 263 N 0.80 3.21 -0.54 10.12 6.06 0.10 -0.81 118.95 137.90 2cwu s ARG 263 Ca -0.12 -0.23 -0.11 0.00 -2.50 0.00 0.00 55.73 52.77 2cwu s ARG 263 Cb -0.15 -4.17 0.14 0.00 0.06 0.00 0.00 34.95 30.83 2cwu s ARG 263 CO 0.02 -2.09 0.44 0.34 -2.50 0.00 0.00 175.30 171.52 2cwu s ASP 264 N 3.66 5.93 1.47 -2.12 2.15 -0.09 -4.89 116.67 122.78 2cwu s ASP 264 Ca 0.35 -2.03 0.00 0.00 0.43 0.00 0.00 52.55 51.30 2cwu s ASP 264 Cb -0.08 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 2cwu s ASP 264 CO 0.16 -0.71 0.00 0.61 -0.17 0.00 0.00 175.17 175.06 2cwu n GLY 265 N 4.80 3.16 0.70 2.66 0.00 -1.26 -2.74 105.19 112.52 2cwu n GLY 265 Ca -0.06 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 45.86 2cwu n GLY 265 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2cwu n ASP 266 N 8.82 2.07 -4.01 1.61 5.68 -1.26 -4.92 116.55 124.54 2cwu n ASP 266 Ca 0.00 -1.85 -0.13 0.00 -0.50 0.00 0.00 54.79 52.31 2cwu n ASP 266 Cb 0.00 -0.18 -0.12 0.00 -1.14 0.00 0.00 41.12 39.67 2cwu n ASP 266 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cwu s ARG 267 N -1.63 0.43 -0.44 0.11 1.70 -1.11 -5.10 118.95 112.91 2cwu s ARG 267 Ca 0.31 -0.52 -0.21 0.00 -0.47 0.00 0.00 55.73 54.84 2cwu s ARG 267 Cb 0.17 -0.26 0.02 0.00 -0.57 0.00 0.00 34.95 34.32 2cwu s ARG 267 CO 0.24 0.05 0.69 -1.17 -1.08 0.00 0.00 175.30 174.03 2cwu s LEU 268 N -1.02 4.41 -0.27 -1.89 0.20 -1.26 -0.91 118.68 117.94 2cwu s LEU 268 Ca -0.06 -0.25 -0.12 0.00 0.69 0.00 0.00 54.13 54.38 2cwu s LEU 268 Cb -0.07 -2.81 -0.05 0.00 -0.43 0.00 0.00 46.19 42.84 2cwu s LEU 268 CO 0.00 -0.82 0.25 -0.13 -0.29 0.00 0.00 176.35 175.36 2cwu s ARG 269 N 2.97 3.99 0.54 1.98 0.52 0.01 -4.89 118.95 124.07 2cwu s ARG 269 Ca 0.25 -0.19 -0.19 0.00 -0.52 0.00 0.00 55.73 55.08 2cwu s ARG 269 Cb -0.13 -3.65 -0.06 0.00 0.52 0.00 0.00 34.95 31.63 2cwu s ARG 269 CO 0.20 -0.19 1.09 -1.25 0.02 0.00 0.00 175.30 175.17 2cwu s PRO 270 N 1.79 3.46 0.10 3.54 0.04 -1.26 -0.42 135.00 142.25 2cwu s PRO 270 Ca 0.10 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2cwu s PRO 270 Cb -0.16 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2cwu s PRO 270 CO 0.10 -0.73 0.00 -0.89 0.04 0.00 0.00 177.00 175.52 2cwu n ILE 271 N -1.36 0.69 -4.11 0.56 -0.00 0.08 -0.44 119.36 114.77 2cwu n ILE 271 Ca 0.10 0.23 -0.23 0.00 -0.00 0.00 0.00 62.75 62.85 2cwu n ILE 271 Cb 0.52 -1.34 -0.17 0.00 -0.00 0.00 0.00 39.64 38.65 2cwu n ILE 271 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 2cwu s ILE 272 N -2.00 0.76 0.14 1.39 1.01 -1.04 -1.35 121.20 120.11 2cwu s ILE 272 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 2cwu s ILE 272 Cb 0.00 -0.79 -0.11 0.00 0.01 0.00 0.00 42.46 41.58 2cwu s ILE 272 CO 0.00 0.30 1.40 -1.13 0.00 0.00 0.00 174.94 175.50 2cwu h ASN 273 N 7.61 0.85 -3.11 3.58 -1.24 -0.71 0.11 115.58 122.67 2cwu h ASN 273 Ca -0.31 -0.50 -0.07 0.00 0.71 0.00 0.00 56.30 56.14 2cwu h ASN 273 Cb 1.15 -0.25 -0.25 0.00 0.73 0.00 0.00 38.32 39.71 2cwu h ASN 273 CO 0.41 1.28 -0.19 -0.60 -1.29 0.00 0.00 177.43 177.04 2cwu s ARG 274 N -3.93 0.50 -0.06 6.67 3.52 -1.07 -1.03 118.95 123.56 2cwu s ARG 274 Ca -0.09 0.96 0.04 0.00 -0.13 0.00 0.00 55.73 56.50 2cwu s ARG 274 Cb 0.10 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.54 2cwu s ARG 274 CO 0.88 -0.16 -0.16 0.00 -0.81 0.00 0.00 175.30 175.05 2cwu s ALA 275 N 1.53 1.52 0.21 6.12 0.00 0.08 -0.33 121.76 130.89 2cwu s ALA 275 Ca -0.09 -0.63 -0.22 0.00 0.00 0.00 0.00 51.96 51.01 2cwu s ALA 275 Cb -0.07 -0.57 0.05 0.00 0.00 0.00 0.00 23.12 22.53 2cwu s ALA 275 CO -0.15 0.22 0.70 -1.54 0.00 0.00 0.00 175.76 174.99 2cwu s SER 276 N 0.29 -0.37 -0.55 0.00 1.04 -0.87 -1.32 113.70 111.91 2cwu s SER 276 Ca -0.09 -0.33 -0.15 0.00 0.48 0.00 0.00 55.95 55.85 2cwu s SER 276 Cb -0.14 0.64 0.13 0.00 0.10 0.00 0.00 66.02 66.76 2cwu s SER 276 CO 0.04 -1.13 0.50 -0.63 0.98 0.00 0.00 173.24 172.99 2cwu s ILE 277 N -3.76 5.09 -1.15 -1.02 1.09 -1.26 -0.45 121.20 119.73 2cwu s ILE 277 Ca 0.07 -1.61 0.27 0.00 -1.10 0.00 0.00 60.65 58.28 2cwu s ILE 277 Cb -0.04 -4.27 0.31 0.00 -1.06 0.00 0.00 42.46 37.41 2cwu s ILE 277 CO -0.02 -0.87 1.88 0.00 -0.10 0.00 0.00 174.94 175.84 2cwu n ALA 278 N 5.12 2.27 -3.57 9.38 0.00 0.30 -4.73 120.51 129.28 2cwu n ALA 278 Ca -0.11 -0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.16 2cwu n ALA 278 Cb 0.41 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 2cwu n ALA 278 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2cwu s GLU 279 N -2.85 0.47 -0.29 0.00 2.56 -1.22 -4.53 118.70 112.85 2cwu s GLU 279 Ca 0.17 -0.11 -0.11 0.00 0.00 0.00 0.00 54.97 54.92 2cwu s GLU 279 Cb 0.18 0.22 0.12 0.00 2.00 0.00 0.00 34.13 36.64 2cwu s GLU 279 CO 0.46 -0.19 0.64 1.41 -0.56 0.00 0.00 175.26 177.02 2cwu s MET 280 N -2.28 0.59 0.08 4.30 -2.45 -1.26 -1.30 119.30 116.98 2cwu s MET 280 Ca 0.06 1.39 0.07 0.00 -1.25 0.00 0.00 55.69 55.96 2cwu s MET 280 Cb -0.01 0.70 -0.03 0.00 1.25 0.00 0.00 34.83 36.74 2cwu s MET 280 CO -0.05 -0.19 -0.20 0.54 1.05 0.00 0.00 175.02 176.17 2cwu s VAL 281 N 2.62 1.62 -0.49 10.11 0.11 -0.15 -1.04 120.40 133.18 2cwu s VAL 281 Ca -0.07 -1.38 0.03 0.00 -2.93 0.00 0.00 61.98 57.64 2cwu s VAL 281 Cb -0.11 -1.46 0.13 0.00 -1.53 0.00 0.00 36.38 33.42 2cwu s VAL 281 CO -0.19 0.02 0.25 -0.69 -3.33 0.00 0.00 175.10 171.16 2cwu s VAL 282 N -1.03 2.22 0.03 2.04 1.01 -0.38 -0.83 120.40 123.46 2cwu s VAL 282 Ca 0.06 -3.06 -0.27 0.00 0.00 0.00 0.00 61.98 58.70 2cwu s VAL 282 Cb -0.09 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 2cwu s VAL 282 CO 0.03 -0.82 0.85 -2.16 0.00 0.00 0.00 175.10 173.00 2cwu s PRO 283 N -0.07 4.55 -0.07 2.72 0.04 -1.20 -2.56 135.00 138.42 2cwu s PRO 283 Ca 0.17 1.21 -0.09 0.00 0.04 0.00 0.00 61.00 62.33 2cwu s PRO 283 Cb -0.25 -3.40 -0.05 0.00 0.04 0.00 0.00 34.50 30.84 2cwu s PRO 283 CO -0.00 0.16 0.23 0.71 0.04 0.00 0.00 177.00 178.14 2cwu s TYR 284 N 0.32 3.64 -0.36 0.56 1.51 -0.86 -1.77 117.35 120.38 2cwu s TYR 284 Ca 0.43 0.67 0.07 0.00 -1.01 0.00 0.00 57.07 57.23 2cwu s TYR 284 Cb -0.21 -2.05 0.56 0.00 -0.11 0.00 0.00 41.96 40.15 2cwu s TYR 284 CO 0.25 0.70 1.63 0.41 -1.11 0.00 0.00 175.55 177.44 2cwu n GLY 285 N 1.86 4.83 3.60 0.71 0.00 0.23 -4.88 105.19 111.54 2cwu n GLY 285 Ca -0.17 -1.24 -0.39 0.00 0.00 0.00 0.00 46.02 44.22 2cwu n GLY 285 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cwu s ASP 286 N -2.12 6.14 0.00 1.61 2.15 -1.26 -4.82 116.67 118.37 2cwu s ASP 286 Ca 0.50 0.14 0.17 0.00 0.43 0.00 0.00 52.55 53.79 2cwu s ASP 286 Cb 0.44 -2.17 0.92 0.00 -0.30 0.00 0.00 42.92 41.81 2cwu s ASP 286 CO 0.03 -0.13 1.49 -0.81 -0.17 0.00 0.00 175.17 175.59 2cwu n PRO 287 N 5.21 0.33 -1.81 4.34 -0.04 -1.26 -3.41 135.00 138.36 2cwu n PRO 287 Ca -0.11 0.09 -0.41 0.00 -0.04 0.00 0.00 63.50 63.03 2cwu n PRO 287 Cb 0.51 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 2cwu n PRO 287 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cwu s SER 288 N -2.41 6.40 0.38 3.54 0.15 -1.26 -4.69 113.70 115.81 2cwu s SER 288 Ca 0.19 2.94 0.26 0.00 0.70 0.00 0.00 55.95 60.05 2cwu s SER 288 Cb 0.12 -2.64 1.38 0.00 -1.71 0.00 0.00 66.02 63.17 2cwu s SER 288 CO 0.25 -0.88 1.80 1.55 1.20 0.00 0.00 173.24 177.16 2cwu h PRO 289 N 4.46 0.00 0.00 5.44 0.13 -1.98 0.45 132.00 140.50 2cwu h PRO 289 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 2cwu h PRO 289 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2cwu h PRO 289 CO 0.76 0.00 -0.37 0.82 -0.23 0.00 0.00 178.00 178.98 2cwu h ILE 290 N 0.00 0.90 0.00 -3.56 1.08 -1.94 -3.37 117.51 110.62 2cwu h ILE 290 Ca 0.00 -1.47 0.00 0.00 -0.39 0.00 0.00 64.86 63.00 2cwu h ILE 290 Cb 0.06 1.89 0.00 0.00 -3.07 0.00 0.00 36.82 35.70 2cwu h ILE 290 CO 0.00 0.36 0.00 0.54 -0.69 0.00 0.00 178.15 178.36 2cwu n ARG 291 N -3.58 0.02 0.02 2.37 1.74 -0.45 -4.86 116.66 111.92 2cwu n ARG 291 Ca -0.00 -0.08 0.03 0.00 -0.77 0.00 0.00 57.85 57.03 2cwu n ARG 291 Cb 0.49 -0.52 0.14 0.00 -1.02 0.00 0.00 32.46 31.55 2cwu n ARG 291 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2cwu n SER 292 N -0.03 0.08 -0.23 0.55 3.41 0.15 -1.04 113.62 116.51 2cwu n SER 292 Ca 0.00 0.53 0.11 0.00 -0.26 0.00 0.00 58.87 59.25 2cwu n SER 292 Cb 0.18 -0.54 -0.04 0.00 -0.26 0.00 0.00 64.21 63.54 2cwu n SER 292 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 2cwu n TRP 293 N -1.60 0.00 -2.04 7.33 4.27 -1.26 -4.97 117.44 119.18 2cwu n TRP 293 Ca 0.01 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.19 2cwu n TRP 293 Cb 0.05 -0.01 -0.03 0.00 -1.36 0.00 0.00 31.31 29.96 2cwu n TRP 293 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 2cwu s GLN 294 N -2.75 3.62 -0.27 -2.67 0.74 -0.21 -4.78 119.66 113.34 2cwu s GLN 294 Ca 0.13 1.63 0.00 0.00 0.05 0.00 0.00 55.36 57.18 2cwu s GLN 294 Cb 0.17 -4.11 0.15 0.00 1.10 0.00 0.00 33.01 30.32 2cwu s GLN 294 CO 0.72 -1.51 0.42 -0.80 -0.55 0.00 0.00 175.29 173.57 2cwu s ASN 295 N 5.04 0.15 -0.25 6.67 0.01 -1.26 -2.03 114.94 123.27 2cwu s ASN 295 Ca 0.76 -0.07 -0.07 0.00 -0.71 0.00 0.00 52.86 52.77 2cwu s ASN 295 Cb -0.25 1.21 -0.02 0.00 0.41 0.00 0.00 41.25 42.60 2cwu s ASN 295 CO 0.32 -0.33 0.07 -0.72 -1.51 0.00 0.00 177.10 174.93 2cwu s TYR 296 N 2.58 3.09 -0.75 2.20 -0.85 -1.06 -4.84 117.35 117.72 2cwu s TYR 296 Ca 0.11 -0.48 -0.21 0.00 -0.52 0.00 0.00 57.07 55.98 2cwu s TYR 296 Cb -0.14 -2.24 0.10 0.00 0.38 0.00 0.00 41.96 40.06 2cwu s TYR 296 CO -0.25 -0.38 0.99 -0.06 -1.52 0.00 0.00 175.55 174.34 2cwu s PHE 297 N 1.60 2.87 0.15 -3.49 0.40 -1.26 -1.25 117.98 117.00 2cwu s PHE 297 Ca 0.06 -0.90 -0.18 0.00 -0.60 0.00 0.00 56.93 55.31 2cwu s PHE 297 Cb -0.15 -4.26 0.05 0.00 0.51 0.00 0.00 43.02 39.17 2cwu s PHE 297 CO 0.03 -1.55 1.70 0.00 0.70 0.00 0.00 175.22 176.10 2cwu h ALA 298 N 9.26 0.25 0.40 5.36 0.00 -1.47 -0.45 119.26 132.60 2cwu h ALA 298 Ca -0.13 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2cwu h ALA 298 Cb 1.06 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2cwu h ALA 298 CO 1.15 -0.44 -0.19 1.15 0.00 0.00 0.00 179.25 180.92 2cwu h THR 299 N 0.04 0.06 -0.53 0.00 2.02 -1.85 -0.70 112.91 111.95 2cwu h THR 299 Ca 0.15 -0.63 -0.10 0.00 0.77 0.00 0.00 66.41 66.60 2cwu h THR 299 Cb 0.22 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 2cwu h THR 299 CO -0.29 0.01 -0.07 1.23 0.37 0.00 0.00 175.52 176.78 2cwu h GLY 300 N -1.13 1.06 0.54 2.16 0.00 -1.84 -2.26 103.07 101.61 2cwu h GLY 300 Ca -0.05 -0.83 -0.37 0.00 0.00 0.00 0.00 47.33 46.07 2cwu h GLY 300 CO 0.09 0.77 -2.04 1.18 0.00 0.00 0.00 176.54 176.54 2cwu n GLU 301 N -4.21 0.75 -0.02 4.80 1.02 -0.20 -4.55 120.64 118.23 2cwu n GLU 301 Ca 0.01 0.25 0.08 0.00 -0.02 0.00 0.00 57.16 57.49 2cwu n GLU 301 Cb 0.37 -1.69 -0.16 0.00 -0.02 0.00 0.00 31.44 29.95 2cwu n GLU 301 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2cwu n TYR 302 N -3.47 0.00 -2.10 -0.32 4.02 -1.09 -0.70 117.16 113.50 2cwu n TYR 302 Ca -0.33 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.54 2cwu n TYR 302 Cb 1.04 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 2cwu n TYR 302 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2cwu n LEU 303 N -2.27 -4.80 0.09 7.72 4.77 -0.28 -4.84 117.00 117.40 2cwu n LEU 303 Ca -0.07 0.44 0.16 0.00 -0.03 0.00 0.00 56.01 56.51 2cwu n LEU 303 Cb 0.60 -2.11 0.67 0.00 -2.33 0.00 0.00 43.42 40.26 2cwu n LEU 303 CO 0.42 -1.29 1.14 -0.37 -1.33 0.00 0.00 177.39 175.97 2cwu h VAL 304 N 1.16 0.82 -0.38 4.08 -1.51 -1.48 -2.63 116.25 116.30 2cwu h VAL 304 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.42 2cwu h VAL 304 Cb 0.25 0.83 -0.02 0.00 -2.13 0.00 0.00 31.29 30.22 2cwu h VAL 304 CO 0.07 0.00 0.03 1.23 -1.23 0.00 0.00 177.57 177.67 2cwu h GLY 305 N 0.00 0.63 2.00 5.19 0.00 -0.91 -2.66 103.07 107.32 2cwu h GLY 305 Ca 0.16 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2cwu h GLY 305 CO -0.00 0.34 0.00 0.06 0.00 0.00 0.00 176.54 176.94 2cwu h GLN 306 N 0.57 0.00 -0.50 4.80 3.07 -1.07 -2.53 115.11 119.45 2cwu h GLN 306 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.86 2cwu h GLN 306 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.88 2cwu h GLN 306 CO 0.01 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.59 2cwu n TYR 307 N -2.83 1.50 -1.74 0.06 4.01 -1.01 -4.99 117.16 112.16 2cwu n TYR 307 Ca 0.00 -0.72 -0.42 0.00 -0.16 0.00 0.00 57.90 56.61 2cwu n TYR 307 Cb 0.24 -0.35 -0.01 0.00 -0.31 0.00 0.00 39.34 38.91 2cwu n TYR 307 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2cwu n ALA 308 N 0.48 2.40 -2.10 -0.72 0.00 -0.95 -2.72 120.51 116.89 2cwu n ALA 308 Ca 0.24 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.76 2cwu n ALA 308 Cb 0.97 -2.44 -0.01 0.00 0.00 0.00 0.00 19.45 17.97 2cwu n ALA 308 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2cwu s ASN 309 N 0.37 6.38 -0.22 0.00 0.01 0.15 -4.96 114.94 116.67 2cwu s ASN 309 Ca 0.62 1.18 -0.24 0.00 -0.71 0.00 0.00 52.86 53.72 2cwu s ASN 309 Cb -0.50 -2.35 -0.01 0.00 0.41 0.00 0.00 41.25 38.79 2cwu s ASN 309 CO 0.51 -0.59 0.79 -0.44 -1.51 0.00 0.00 177.10 175.86 2cwu s SER 310 N -3.71 6.83 -0.19 -1.22 0.01 -1.26 -4.27 113.70 109.89 2cwu s SER 310 Ca 0.52 1.03 -0.22 0.00 1.31 0.00 0.00 55.95 58.58 2cwu s SER 310 Cb -0.10 -2.42 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 2cwu s SER 310 CO 0.41 -0.44 0.70 -0.76 0.41 0.00 0.00 173.24 173.56 2cwu s LEU 311 N 2.51 4.15 -0.02 2.44 1.43 -0.19 -4.98 118.68 124.01 2cwu s LEU 311 Ca 0.35 0.95 -0.26 0.00 -1.03 0.00 0.00 54.13 54.14 2cwu s LEU 311 Cb -0.16 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 2cwu s LEU 311 CO 0.09 -0.33 0.81 -1.61 0.23 0.00 0.00 176.35 175.55 2cwu s GLU 312 N 2.04 4.49 0.34 1.70 0.41 -1.26 -4.89 118.70 121.53 2cwu s GLU 312 Ca 0.32 1.10 -0.29 0.00 -0.41 0.00 0.00 54.97 55.70 2cwu s GLU 312 Cb -0.16 -3.44 -0.11 0.00 -1.78 0.00 0.00 34.13 28.65 2cwu s GLU 312 CO 0.11 0.06 1.40 -1.17 -0.49 0.00 0.00 175.26 175.16 2cwu s LEU 313 N 0.73 4.38 0.00 1.80 2.96 -1.26 -0.82 118.68 126.46 2cwu s LEU 313 Ca 0.43 2.84 0.00 0.00 -0.22 0.00 0.00 54.13 57.18 2cwu s LEU 313 Cb -0.19 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 42.84 2cwu s LEU 313 CO 0.22 -0.69 0.00 0.61 -1.32 0.00 0.00 176.35 175.17 2cwu n GLY 314 N 0.81 2.80 0.77 7.98 0.00 -0.66 -4.73 105.19 112.16 2cwu n GLY 314 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 2cwu n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwu h ASP 316 N -0.24 0.44 -3.18 0.00 3.32 -1.27 -3.45 116.42 112.04 2cwu h ASP 316 Ca 0.00 -0.89 -0.55 0.00 0.02 0.00 0.00 57.03 55.60 2cwu h ASP 316 Cb 0.24 -0.14 -0.37 0.00 0.22 0.00 0.00 39.33 39.28 2cwu h ASP 316 CO 0.00 1.53 -0.81 0.00 -1.72 0.00 0.00 179.24 178.24 2cwu s LEU 318 N 1.64 3.74 0.00 0.00 2.96 -1.26 -1.65 118.68 124.11 2cwu s LEU 318 Ca 0.05 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 2cwu s LEU 318 Cb -0.13 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.64 2cwu s LEU 318 CO -0.09 0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.92 2cwu n GLY 319 N 1.96 -0.29 3.44 7.98 0.00 -1.26 -4.85 105.19 112.17 2cwu n GLY 319 Ca -0.18 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.35 2cwu n GLY 319 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cwu s ASP 320 N -4.00 6.18 -0.11 1.61 -1.08 -1.26 -4.94 116.67 113.07 2cwu s ASP 320 Ca 0.00 -1.08 -0.03 0.00 -0.52 0.00 0.00 52.55 50.92 2cwu s ASP 320 Cb 0.00 -2.39 -0.03 0.00 -1.46 0.00 0.00 42.92 39.04 2cwu s ASP 320 CO 0.00 -1.34 0.03 -0.63 0.52 0.00 0.00 175.17 173.74 2cwu s ILE 321 N 3.69 4.53 -0.21 4.11 1.09 -1.26 -4.64 121.20 128.51 2cwu s ILE 321 Ca 0.20 -0.16 -0.04 0.00 -1.10 0.00 0.00 60.65 59.55 2cwu s ILE 321 Cb -0.19 -2.94 -0.01 0.00 -1.06 0.00 0.00 42.46 38.26 2cwu s ILE 321 CO 0.10 0.58 -0.04 -0.89 -0.10 0.00 0.00 174.94 174.59 2cwu s THR 322 N -0.68 3.46 0.19 2.92 2.01 -0.16 -4.96 115.64 118.42 2cwu s THR 322 Ca 0.11 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.66 2cwu s THR 322 Cb -0.12 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 2cwu s THR 322 CO 0.02 0.43 0.33 -0.31 -0.69 0.00 0.00 174.62 174.40 2cwu s TYR 323 N 1.33 3.48 -0.01 4.92 2.02 -1.26 -1.37 117.35 126.45 2cwu s TYR 323 Ca 0.04 0.15 0.06 0.00 -0.37 0.00 0.00 57.07 56.94 2cwu s TYR 323 Cb -0.14 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.71 2cwu s TYR 323 CO -0.02 0.46 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.73 2cwu s LEU 324 N -3.44 2.03 -0.58 -1.29 1.43 -0.61 -5.01 118.68 111.22 2cwu s LEU 324 Ca 0.35 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 2cwu s LEU 324 Cb -0.11 -0.94 0.15 0.00 0.03 0.00 0.00 46.19 45.32 2cwu s LEU 324 CO 0.29 0.22 0.35 -0.44 0.23 0.00 0.00 176.35 177.00 2cwu s SER 325 N -0.42 4.35 0.71 2.29 0.01 -1.26 -2.17 113.70 117.21 2cwu s SER 325 Ca 0.07 -3.29 -0.15 0.00 1.31 0.00 0.00 55.95 53.89 2cwu s SER 325 Cb -0.07 -1.54 0.03 0.00 0.21 0.00 0.00 66.02 64.64 2cwu s SER 325 CO -0.01 -0.18 1.19 -2.16 0.41 0.00 0.00 173.24 172.49 2cwu s PRO 326 N -0.65 2.29 -0.06 12.44 0.04 -1.25 -4.61 135.00 143.21 2cwu s PRO 326 Ca 0.20 1.70 0.05 0.00 0.04 0.00 0.00 61.00 62.99 2cwu s PRO 326 Cb -0.17 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 2cwu s PRO 326 CO -0.07 -1.71 -0.20 0.08 0.04 0.00 0.00 177.00 175.14 2cwu s VAL 327 N -2.02 2.50 0.37 -0.36 1.01 -1.26 -0.55 120.40 120.09 2cwu s VAL 327 Ca 0.73 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2cwu s VAL 327 Cb -0.28 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2cwu s VAL 327 CO 0.44 0.57 0.10 0.27 0.00 0.00 0.00 175.10 176.48 2cwu s ILE 328 N -0.39 0.83 0.07 2.22 -0.00 0.05 -4.86 121.20 119.12 2cwu s ILE 328 Ca 0.03 -2.00 -0.04 0.00 -0.00 0.00 0.00 60.65 58.65 2cwu s ILE 328 Cb -0.12 -2.52 -0.05 0.00 -0.00 0.00 0.00 42.46 39.77 2cwu s ILE 328 CO 0.02 0.00 0.28 -0.55 -0.00 0.00 0.00 174.94 174.69 2cwu s SER 329 N -3.56 6.45 0.67 4.36 0.15 -1.26 0.01 113.70 120.51 2cwu s SER 329 Ca 0.29 0.47 -0.00 0.00 0.70 0.00 0.00 55.95 57.41 2cwu s SER 329 Cb 0.05 -2.05 0.12 0.00 -1.71 0.00 0.00 66.02 62.43 2cwu s SER 329 CO 0.14 0.17 0.80 -0.90 1.20 0.00 0.00 173.24 174.65 2cwu n ASP 330 N 0.54 1.09 0.11 5.45 3.85 -0.36 -4.88 116.55 122.35 2cwu n ASP 330 Ca -0.07 -1.91 0.08 0.00 -0.71 0.00 0.00 54.79 52.18 2cwu n ASP 330 Cb 0.52 -0.52 0.41 0.00 -1.35 0.00 0.00 41.12 40.18 2cwu n ASP 330 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2cwu n ALA 331 N -2.92 1.05 0.31 2.12 0.00 -1.26 -2.12 120.51 117.68 2cwu n ALA 331 Ca -0.13 0.14 0.05 0.00 0.00 0.00 0.00 53.44 53.50 2cwu n ALA 331 Cb 0.47 -1.22 0.07 0.00 0.00 0.00 0.00 19.45 18.76 2cwu n ALA 331 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2cwu n PHE 332 N -2.03 0.09 -0.19 0.00 3.72 -1.26 -0.09 117.46 117.70 2cwu n PHE 332 Ca -0.01 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 2cwu n PHE 332 Cb 0.03 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 2cwu n PHE 332 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2cwu n GLY 333 N 0.57 0.74 3.77 1.37 0.00 -0.90 -4.95 105.19 105.78 2cwu n GLY 333 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2cwu n GLY 333 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cwu s ASN 334 N -2.52 7.29 0.24 1.61 0.01 -1.26 -4.32 114.94 115.98 2cwu s ASN 334 Ca 0.00 1.53 -0.30 0.00 -0.71 0.00 0.00 52.86 53.39 2cwu s ASN 334 Cb 0.00 -2.48 -0.09 0.00 0.41 0.00 0.00 41.25 39.09 2cwu s ASN 334 CO 0.00 0.13 1.22 -2.16 -1.51 0.00 0.00 177.10 174.78 2cwu s PRO 335 N -0.67 4.48 -0.09 -0.60 0.04 -1.26 -1.22 135.00 135.67 2cwu s PRO 335 Ca 0.36 1.96 0.01 0.00 0.04 0.00 0.00 61.00 63.37 2cwu s PRO 335 Cb -0.22 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 31.16 2cwu s PRO 335 CO 0.24 -0.07 -0.10 0.50 0.04 0.00 0.00 177.00 177.61 2cwu s ARG 336 N -0.79 1.65 0.04 4.56 3.52 0.10 -4.91 118.95 123.12 2cwu s ARG 336 Ca 0.51 -0.35 -0.19 0.00 -0.13 0.00 0.00 55.73 55.58 2cwu s ARG 336 Cb -0.35 -1.53 -0.06 0.00 -1.56 0.00 0.00 34.95 31.46 2cwu s ARG 336 CO 0.41 -0.13 0.54 -2.00 -0.81 0.00 0.00 175.30 173.31 2cwu s GLU 337 N 1.20 4.17 -0.81 5.12 2.12 -1.26 -0.77 118.70 128.46 2cwu s GLU 337 Ca -0.04 0.66 -0.10 0.00 0.36 0.00 0.00 54.97 55.84 2cwu s GLU 337 Cb -0.14 -3.26 0.21 0.00 0.26 0.00 0.00 34.13 31.20 2cwu s GLU 337 CO -0.03 0.59 0.73 0.42 -0.54 0.00 0.00 175.26 176.43 2cwu s ILE 338 N -0.88 5.13 0.06 -3.70 1.01 0.29 -4.99 121.20 118.12 2cwu s ILE 338 Ca 0.28 -2.78 -0.35 0.00 0.00 0.00 0.00 60.65 57.80 2cwu s ILE 338 Cb -0.19 -4.19 -0.14 0.00 0.01 0.00 0.00 42.46 37.96 2cwu s ILE 338 CO 0.17 -1.01 1.63 -1.14 0.00 0.00 0.00 174.94 174.59 2cwu n ARG 339 N 3.62 1.98 -4.06 2.79 0.63 -1.26 -2.15 116.66 118.20 2cwu n ARG 339 Ca 0.14 0.72 -0.31 0.00 -0.92 0.00 0.00 57.85 57.47 2cwu n ARG 339 Cb 0.43 -2.48 -0.01 0.00 0.45 0.00 0.00 32.46 30.85 2cwu n ARG 339 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2cwu n ASN 340 N 4.25 -2.59 0.13 6.15 3.02 -1.25 -4.23 115.26 120.74 2cwu n ASN 340 Ca 0.19 -0.96 0.13 0.00 -0.03 0.00 0.00 54.58 53.91 2cwu n ASN 340 Cb 0.27 -3.12 0.36 0.00 -0.61 0.00 0.00 39.78 36.68 2cwu n ASN 340 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2cwu h GLY 341 N -1.74 0.00 -5.96 7.41 0.00 -1.13 -0.48 103.07 101.18 2cwu h GLY 341 Ca -0.60 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.19 2cwu h GLY 341 CO 0.70 0.00 -0.82 -0.42 0.00 0.00 0.00 176.54 176.00 2cwu s ILE 342 N -3.14 1.24 -0.10 2.60 1.01 -0.92 -4.47 121.20 117.41 2cwu s ILE 342 Ca 0.09 -0.51 -0.04 0.00 0.00 0.00 0.00 60.65 60.19 2cwu s ILE 342 Cb 0.11 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 2cwu s ILE 342 CO 0.60 0.38 0.06 0.00 0.00 0.00 0.00 174.94 175.98 2cwu s MET 344 N -0.85 0.51 0.05 0.00 -1.94 -0.47 -1.14 119.30 115.45 2cwu s MET 344 Ca 0.13 0.02 -0.28 0.00 -1.71 0.00 0.00 55.69 53.85 2cwu s MET 344 Cb -0.12 -0.65 0.09 0.00 2.01 0.00 0.00 34.83 36.17 2cwu s MET 344 CO 0.03 -0.13 0.94 -3.38 -0.01 0.00 0.00 175.02 172.47 2cwu s HIS 345 N 1.07 -0.24 0.11 -0.03 -3.43 -0.85 -0.99 115.29 110.93 2cwu s HIS 345 Ca -0.09 0.05 0.07 0.00 -0.80 0.00 0.00 55.06 54.29 2cwu s HIS 345 Cb -0.14 0.58 -0.04 0.00 -1.43 0.00 0.00 32.58 31.55 2cwu s HIS 345 CO -0.01 -0.63 -0.10 -1.83 -2.00 0.00 0.00 174.74 170.16 2cwu s GLU 346 N -3.13 2.10 0.03 -0.38 -1.05 -1.26 0.33 118.70 115.33 2cwu s GLU 346 Ca 0.08 -1.05 -0.04 0.00 -0.15 0.00 0.00 54.97 53.82 2cwu s GLU 346 Cb -0.01 -2.28 -0.01 0.00 -0.44 0.00 0.00 34.13 31.38 2cwu s GLU 346 CO -0.04 0.50 0.05 -1.83 0.95 0.00 0.00 175.26 174.89 2cwu s GLU 347 N -2.25 0.49 0.45 -4.83 -1.05 -0.31 -4.92 118.70 106.28 2cwu s GLU 347 Ca 0.21 -0.70 -0.24 0.00 -0.15 0.00 0.00 54.97 54.10 2cwu s GLU 347 Cb -0.11 0.19 -0.07 0.00 -0.44 0.00 0.00 34.13 33.69 2cwu s GLU 347 CO 0.14 -0.11 1.30 0.34 0.95 0.00 0.00 175.26 177.88 2cwu s ASP 348 N -1.88 6.00 -0.34 0.83 2.15 -1.26 -1.59 116.67 120.58 2cwu s ASP 348 Ca -0.09 2.63 0.15 0.00 0.43 0.00 0.00 52.55 55.67 2cwu s ASP 348 Cb -0.04 -2.63 0.46 0.00 -0.30 0.00 0.00 42.92 40.40 2cwu s ASP 348 CO -0.03 -1.06 1.02 1.87 -0.17 0.00 0.00 175.17 176.81 2cwu n TRP 349 N -0.30 1.85 -4.81 -5.34 -0.00 0.11 -4.81 117.44 104.13 2cwu n TRP 349 Ca 0.06 -2.77 0.00 0.00 -0.00 0.00 0.00 57.50 54.80 2cwu n TRP 349 Cb 0.45 -0.28 0.00 0.00 -0.00 0.00 0.00 31.31 31.48 2cwu n TRP 349 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2cwu n GLY 350 N -0.27 0.73 3.73 5.87 0.00 -1.26 -4.41 105.19 109.58 2cwu n GLY 350 Ca 0.19 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 2cwu n GLY 350 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cwu s ILE 351 N 0.00 4.05 -0.22 -0.61 -1.09 -1.26 -0.09 121.20 121.99 2cwu s ILE 351 Ca 0.00 1.71 -0.09 0.00 -2.23 0.00 0.00 60.65 60.04 2cwu s ILE 351 Cb 0.00 -4.09 -0.19 0.00 -1.58 0.00 0.00 42.46 36.60 2cwu s ILE 351 CO 0.00 0.26 -0.01 -0.11 -1.23 0.00 0.00 174.94 173.85 2cwu n LEU 352 N 2.70 2.43 -3.59 2.97 7.94 0.85 -4.56 117.00 125.74 2cwu n LEU 352 Ca 0.03 0.18 -0.16 0.00 -1.11 0.00 0.00 56.01 54.96 2cwu n LEU 352 Cb 0.47 -0.96 -0.07 0.00 0.53 0.00 0.00 43.42 43.39 2cwu n LEU 352 CO 0.53 0.70 0.39 0.00 -1.11 0.00 0.00 177.39 177.90 2cwu s ALA 353 N -2.50 -1.67 -0.24 1.96 0.00 -1.16 -4.98 121.76 113.17 2cwu s ALA 353 Ca -0.31 1.52 -0.22 0.00 0.00 0.00 0.00 51.96 52.95 2cwu s ALA 353 Cb 0.09 -0.49 0.06 0.00 0.00 0.00 0.00 23.12 22.78 2cwu s ALA 353 CO 0.62 -0.34 0.64 0.21 0.00 0.00 0.00 175.76 176.89 2cwu s LYS 354 N -0.51 0.75 -0.28 0.00 2.20 -1.26 -1.39 119.74 119.24 2cwu s LYS 354 Ca -0.06 0.89 -0.18 0.00 -0.36 0.00 0.00 55.97 56.26 2cwu s LYS 354 Cb -0.02 0.37 0.11 0.00 -1.51 0.00 0.00 37.83 36.77 2cwu s LYS 354 CO 0.06 -0.09 0.84 -1.58 -0.36 0.00 0.00 175.35 174.21 2cwu s HIS 355 N 0.34 -0.79 -0.30 4.03 2.46 0.08 -5.01 115.29 116.10 2cwu s HIS 355 Ca -0.00 1.64 -0.00 0.00 0.47 0.00 0.00 55.06 57.17 2cwu s HIS 355 Cb -0.04 0.46 0.06 0.00 -0.13 0.00 0.00 32.58 32.92 2cwu s HIS 355 CO 0.01 -0.39 -0.02 -1.12 -2.47 0.00 0.00 174.74 170.75 2cwu s SER 356 N 1.24 4.80 -0.19 9.88 0.01 -1.26 -0.32 113.70 127.85 2cwu s SER 356 Ca -0.07 -1.36 -0.16 0.00 1.31 0.00 0.00 55.95 55.66 2cwu s SER 356 Cb -0.04 -1.68 -0.04 0.00 0.21 0.00 0.00 66.02 64.47 2cwu s SER 356 CO -0.14 -0.26 0.42 -0.62 0.41 0.00 0.00 173.24 173.04 2cwu s ASP 357 N 1.23 6.47 0.30 2.44 -1.08 -0.55 -4.98 116.67 120.50 2cwu s ASP 357 Ca -0.05 0.56 0.07 0.00 -0.52 0.00 0.00 52.55 52.60 2cwu s ASP 357 Cb -0.20 -2.24 0.48 0.00 -1.46 0.00 0.00 42.92 39.50 2cwu s ASP 357 CO -0.02 -0.08 1.72 0.25 0.52 0.00 0.00 175.17 177.55 2cwu h LEU 358 N 7.58 0.26 0.20 -1.34 5.85 -1.95 0.06 115.31 125.95 2cwu h LEU 358 Ca -0.36 -0.10 -0.35 0.00 0.84 0.00 0.00 57.88 57.91 2cwu h LEU 358 Cb 1.16 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 42.14 2cwu h LEU 358 CO 0.72 0.62 -1.69 -0.50 -0.34 0.00 0.00 178.44 177.26 2cwu h TRP 359 N 0.21 0.75 0.00 1.25 6.55 -1.98 -3.36 115.95 119.38 2cwu h TRP 359 Ca 0.02 -0.55 -0.05 0.00 0.95 0.00 0.00 58.89 59.26 2cwu h TRP 359 Cb 0.78 -0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 29.04 2cwu h TRP 359 CO 0.01 1.64 -0.94 0.66 -1.05 0.00 0.00 178.44 178.76 2cwu h SER 360 N 0.11 0.00 0.00 -3.49 4.64 -2.00 -3.47 113.55 109.34 2cwu h SER 360 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2cwu h SER 360 Cb 2.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.20 2cwu h SER 360 CO 0.20 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 2cwu n GLY 361 N 1.23 0.70 3.71 -0.77 0.00 0.01 -4.99 105.19 105.07 2cwu n GLY 361 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2cwu n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cwu s ILE 362 N -2.96 5.02 -0.21 -0.61 1.01 -1.24 -4.86 121.20 117.34 2cwu s ILE 362 Ca 0.00 1.54 -0.05 0.00 0.00 0.00 0.00 60.65 62.14 2cwu s ILE 362 Cb 0.00 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 2cwu s ILE 362 CO 0.00 0.23 -0.00 0.20 0.00 0.00 0.00 174.94 175.37 2cwu s ASN 363 N 0.84 4.72 -0.06 3.58 0.01 -1.26 -1.49 114.94 121.29 2cwu s ASN 363 Ca 0.40 -0.25 0.03 0.00 -0.71 0.00 0.00 52.86 52.32 2cwu s ASN 363 Cb -0.18 -1.81 0.01 0.00 0.41 0.00 0.00 41.25 39.67 2cwu s ASN 363 CO 0.19 0.03 -0.14 -0.47 -1.51 0.00 0.00 177.10 175.21 2cwu s TYR 364 N 1.19 1.53 -0.10 2.20 6.14 0.56 -5.00 117.35 123.88 2cwu s TYR 364 Ca 0.03 -0.52 -0.07 0.00 0.64 0.00 0.00 57.07 57.15 2cwu s TYR 364 Cb -0.15 -1.08 0.04 0.00 0.42 0.00 0.00 41.96 41.19 2cwu s TYR 364 CO 0.01 -0.23 0.25 0.99 0.64 0.00 0.00 175.55 177.21 2cwu s THR 365 N 0.41 -0.02 0.01 4.34 2.01 -1.26 -0.74 115.64 120.39 2cwu s THR 365 Ca -0.10 0.07 0.01 0.00 0.31 0.00 0.00 61.69 61.98 2cwu s THR 365 Cb -0.14 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 2cwu s THR 365 CO 0.03 0.03 -0.05 -0.13 -0.69 0.00 0.00 174.62 173.81 2cwu s ARG 366 N 0.68 0.38 0.29 4.92 1.81 -0.49 -4.85 118.95 121.69 2cwu s ARG 366 Ca -0.04 -0.40 -0.06 0.00 -1.72 0.00 0.00 55.73 53.51 2cwu s ARG 366 Cb -0.06 -0.25 -0.06 0.00 -0.45 0.00 0.00 34.95 34.13 2cwu s ARG 366 CO -0.04 0.06 0.57 1.03 -0.68 0.00 0.00 175.30 176.23 2cwu s ARG 367 N -0.74 3.67 0.30 3.54 1.81 -1.26 -0.11 118.95 126.15 2cwu s ARG 367 Ca -0.04 0.08 0.07 0.00 -1.72 0.00 0.00 55.73 54.12 2cwu s ARG 367 Cb -0.05 -2.63 -0.03 0.00 -0.45 0.00 0.00 34.95 31.78 2cwu s ARG 367 CO -0.00 0.21 0.22 1.21 -0.68 0.00 0.00 175.30 176.27 2cwu s ASN 368 N -3.04 5.30 0.07 0.23 2.47 0.87 -4.45 114.94 116.39 2cwu s ASN 368 Ca 0.45 -0.42 -0.10 0.00 0.42 0.00 0.00 52.86 53.20 2cwu s ASN 368 Cb -0.11 -1.13 0.01 0.00 -1.45 0.00 0.00 41.25 38.57 2cwu s ASN 368 CO 0.29 -0.20 0.23 -0.13 -3.72 0.00 0.00 177.10 173.57 2cwu s ARG 369 N -3.90 0.81 0.01 0.43 0.52 -1.26 -0.71 118.95 114.84 2cwu s ARG 369 Ca 0.37 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.83 2cwu s ARG 369 Cb -0.06 0.34 -0.01 0.00 0.52 0.00 0.00 34.95 35.74 2cwu s ARG 369 CO 0.25 -0.26 -0.04 -0.98 0.02 0.00 0.00 175.30 174.30 2cwu s ARG 370 N -3.24 0.30 -0.12 3.54 1.70 -0.62 -2.84 118.95 117.66 2cwu s ARG 370 Ca 0.00 -0.26 -0.15 0.00 -0.47 0.00 0.00 55.73 54.85 2cwu s ARG 370 Cb 0.02 -0.21 -0.05 0.00 -0.57 0.00 0.00 34.95 34.14 2cwu s ARG 370 CO -0.08 0.05 0.35 1.41 -1.08 0.00 0.00 175.30 175.96 2cwu s MET 371 N -0.45 4.17 -0.13 3.89 -2.45 0.49 -1.16 119.30 123.67 2cwu s MET 371 Ca -0.02 0.23 0.01 0.00 -1.25 0.00 0.00 55.69 54.65 2cwu s MET 371 Cb -0.03 -3.38 -0.01 0.00 1.25 0.00 0.00 34.83 32.66 2cwu s MET 371 CO -0.00 0.33 -0.15 0.08 1.05 0.00 0.00 175.02 176.32 2cwu s VAL 372 N 0.15 2.82 -0.16 10.11 1.01 0.15 -1.65 120.40 132.83 2cwu s VAL 372 Ca 0.20 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2cwu s VAL 372 Cb -0.14 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 34.10 2cwu s VAL 372 CO 0.07 0.53 -0.12 -0.63 0.00 0.00 0.00 175.10 174.95 2cwu s ILE 373 N 0.42 1.51 0.18 2.22 -1.09 -0.55 -2.00 121.20 121.89 2cwu s ILE 373 Ca -0.12 -0.69 -0.11 0.00 -2.23 0.00 0.00 60.65 57.51 2cwu s ILE 373 Cb -0.16 -1.48 -0.00 0.00 -1.58 0.00 0.00 42.46 39.23 2cwu s ILE 373 CO 0.06 0.37 0.35 -0.94 -1.23 0.00 0.00 174.94 173.54 2cwu s SER 374 N 1.49 -0.03 0.15 3.58 1.04 -0.29 -1.17 113.70 118.47 2cwu s SER 374 Ca 0.03 -0.83 -0.14 0.00 0.48 0.00 0.00 55.95 55.50 2cwu s SER 374 Cb -0.14 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.48 2cwu s SER 374 CO -0.10 -0.95 0.38 0.72 0.98 0.00 0.00 173.24 174.26 2cwu s PHE 375 N -3.96 -0.00 -0.03 5.02 -0.71 -0.99 -0.80 117.98 116.51 2cwu s PHE 375 Ca 0.17 -0.35 0.02 0.00 -1.04 0.00 0.00 56.93 55.73 2cwu s PHE 375 Cb 0.02 0.18 0.01 0.00 -1.21 0.00 0.00 43.02 42.02 2cwu s PHE 375 CO 0.01 -0.74 -0.08 0.12 -1.34 0.00 0.00 175.22 173.19 2cwu s PHE 376 N -3.86 0.92 0.24 3.49 2.19 -1.26 -0.91 117.98 118.79 2cwu s PHE 376 Ca 0.08 -0.24 0.09 0.00 0.33 0.00 0.00 56.93 57.19 2cwu s PHE 376 Cb 0.02 -0.68 -0.05 0.00 -1.31 0.00 0.00 43.02 41.00 2cwu s PHE 376 CO -0.07 -0.12 -0.15 -0.08 1.83 0.00 0.00 175.22 176.63 2cwu s THR 377 N 0.32 2.00 -0.07 0.12 -1.32 0.58 0.30 115.64 117.57 2cwu s THR 377 Ca -0.05 -2.27 0.00 0.00 -1.21 0.00 0.00 61.69 58.16 2cwu s THR 377 Cb -0.10 -2.20 0.02 0.00 -1.51 0.00 0.00 72.50 68.71 2cwu s THR 377 CO 0.01 -0.48 -0.05 -0.89 -2.21 0.00 0.00 174.62 171.00 2cwu s THR 378 N -2.80 0.66 -0.36 5.08 2.01 -1.10 -0.86 115.64 118.27 2cwu s THR 378 Ca 0.26 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.15 2cwu s THR 378 Cb -0.02 -0.70 0.11 0.00 0.01 0.00 0.00 72.50 71.90 2cwu s THR 378 CO 0.11 0.28 0.13 -0.63 -0.69 0.00 0.00 174.62 173.82 2cwu s ILE 379 N 1.35 1.35 0.00 1.82 1.01 -1.26 -4.79 121.20 120.68 2cwu s ILE 379 Ca -0.04 -1.97 0.00 0.00 0.00 0.00 0.00 60.65 58.64 2cwu s ILE 379 Cb -0.14 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.34 2cwu s ILE 379 CO -0.03 -0.73 0.00 0.61 0.00 0.00 0.00 174.94 174.79 2cwu n GLY 380 N 4.30 3.24 1.61 6.18 0.00 -1.26 -4.77 105.19 114.49 2cwu n GLY 380 Ca 0.02 0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 2cwu n GLY 380 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2cwu n ASN 381 N 9.51 5.67 0.00 1.61 6.94 -1.26 -4.99 115.26 132.74 2cwu n ASN 381 Ca 0.00 -2.60 0.00 0.00 -0.02 0.00 0.00 54.58 51.96 2cwu n ASN 381 Cb 0.00 -1.11 0.00 0.00 -2.36 0.00 0.00 39.78 36.31 2cwu n ASN 381 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2cwu n ASP 383 N 1.17 0.00 -4.13 0.53 9.92 -1.05 -0.56 116.55 122.43 2cwu n ASP 383 Ca 0.09 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.09 2cwu n ASP 383 Cb 0.52 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.84 2cwu n ASP 383 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2cwu s TYR 384 N 0.00 1.60 -0.14 1.24 2.02 -0.04 -1.41 117.35 120.62 2cwu s TYR 384 Ca 0.00 -0.40 -0.04 0.00 -0.37 0.00 0.00 57.07 56.26 2cwu s TYR 384 Cb 0.00 -1.06 -0.03 0.00 -0.40 0.00 0.00 41.96 40.47 2cwu s TYR 384 CO 0.00 -0.11 0.00 0.20 -1.57 0.00 0.00 175.55 174.07 2cwu s GLY 385 N -0.11 1.81 -0.23 0.71 0.00 0.33 -0.31 107.32 109.52 2cwu s GLY 385 Ca 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 44.72 43.89 2cwu s GLY 385 CO 0.01 -0.17 -0.03 -1.36 0.00 0.00 0.00 173.10 171.54 2cwu s PHE 386 N 0.01 3.00 -0.09 1.90 0.40 -0.09 -0.64 117.98 122.47 2cwu s PHE 386 Ca 0.03 -1.08 0.03 0.00 -0.60 0.00 0.00 56.93 55.31 2cwu s PHE 386 Cb -0.13 -2.11 0.01 0.00 0.51 0.00 0.00 43.02 41.30 2cwu s PHE 386 CO 0.02 -0.59 -0.19 0.71 0.70 0.00 0.00 175.22 175.86 2cwu s TYR 387 N 1.45 2.12 -0.10 0.36 1.51 0.14 -2.35 117.35 120.48 2cwu s TYR 387 Ca 0.04 -0.86 0.01 0.00 -1.01 0.00 0.00 57.07 55.25 2cwu s TYR 387 Cb -0.15 -1.46 -0.02 0.00 -0.11 0.00 0.00 41.96 40.22 2cwu s TYR 387 CO -0.03 -0.37 -0.13 -1.58 -1.11 0.00 0.00 175.55 172.33 2cwu s TRP 388 N 0.50 2.80 -0.02 2.71 0.52 -0.32 -0.63 118.94 124.50 2cwu s TRP 388 Ca -0.17 -0.44 0.06 0.00 0.02 0.00 0.00 56.10 55.58 2cwu s TRP 388 Cb -0.17 -1.78 -0.02 0.00 -1.15 0.00 0.00 33.47 30.36 2cwu s TRP 388 CO 0.06 -0.05 -0.20 0.71 0.02 0.00 0.00 176.95 177.49 2cwu s TYR 389 N -0.04 1.82 -0.12 -1.98 2.02 0.46 -1.49 117.35 118.03 2cwu s TYR 389 Ca -0.03 -0.35 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 2cwu s TYR 389 Cb -0.14 -1.17 0.01 0.00 -0.40 0.00 0.00 41.96 40.25 2cwu s TYR 389 CO 0.04 -0.03 -0.22 -0.51 -1.57 0.00 0.00 175.55 173.26 2cwu s LEU 390 N -0.47 2.03 0.23 -1.29 1.43 -0.66 -1.43 118.68 118.52 2cwu s LEU 390 Ca 0.08 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 52.69 2cwu s LEU 390 Cb -0.08 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 2cwu s LEU 390 CO -0.01 0.10 0.21 -0.31 0.23 0.00 0.00 176.35 176.57 2cwu s TYR 391 N 0.63 3.17 0.29 0.29 2.02 -0.43 -0.38 117.35 122.95 2cwu s TYR 391 Ca -0.12 -0.07 -0.00 0.00 -0.37 0.00 0.00 57.07 56.50 2cwu s TYR 391 Cb -0.16 -1.45 0.49 0.00 -0.40 0.00 0.00 41.96 40.43 2cwu s TYR 391 CO 0.03 0.51 1.91 -0.07 -1.57 0.00 0.00 175.55 176.36 2cwu h LEU 392 N 1.65 0.94 0.00 -1.29 3.38 -1.85 -2.41 115.31 115.73 2cwu h LEU 392 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2cwu h LEU 392 Cb 1.23 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2cwu h LEU 392 CO 0.61 0.61 0.00 -0.90 0.09 0.00 0.00 178.44 178.86 2cwu n ASP 393 N -4.48 0.00 0.00 -0.43 5.75 -1.26 -4.77 116.55 111.36 2cwu n ASP 393 Ca 0.14 -1.55 0.00 0.00 -0.01 0.00 0.00 54.79 53.36 2cwu n ASP 393 Cb 0.17 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 2cwu n ASP 393 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2cwu n GLY 394 N 0.51 0.49 3.77 6.12 0.00 -0.91 -4.77 105.19 110.41 2cwu n GLY 394 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2cwu n GLY 394 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cwu s THR 395 N -2.21 3.38 -0.06 2.61 2.01 -1.26 -4.47 115.64 115.64 2cwu s THR 395 Ca 0.00 1.27 0.06 0.00 0.31 0.00 0.00 61.69 63.32 2cwu s THR 395 Cb 0.00 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 2cwu s THR 395 CO 0.00 0.21 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.28 2cwu s ILE 396 N -1.31 1.97 0.00 1.82 1.01 -0.22 -1.32 121.20 123.16 2cwu s ILE 396 Ca 0.50 -1.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 2cwu s ILE 396 Cb -0.31 -1.68 -0.00 0.00 0.01 0.00 0.00 42.46 40.48 2cwu s ILE 396 CO 0.39 0.55 0.08 -0.70 0.00 0.00 0.00 174.94 175.26 2cwu s GLU 397 N -0.05 0.39 0.01 2.79 2.12 -0.51 0.00 118.70 123.45 2cwu s GLU 397 Ca -0.06 -0.40 0.07 0.00 0.36 0.00 0.00 54.97 54.94 2cwu s GLU 397 Cb -0.14 0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.38 2cwu s GLU 397 CO 0.04 -0.08 -0.23 0.12 -0.54 0.00 0.00 175.26 174.57 2cwu s PHE 398 N -1.24 2.02 -0.04 5.30 5.36 -0.45 -0.40 117.98 128.52 2cwu s PHE 398 Ca -0.13 -0.38 -0.01 0.00 -0.96 0.00 0.00 56.93 55.44 2cwu s PHE 398 Cb -0.08 -1.25 0.03 0.00 -0.34 0.00 0.00 43.02 41.38 2cwu s PHE 398 CO 0.01 0.03 0.08 -2.00 -1.46 0.00 0.00 175.22 171.87 2cwu s GLU 399 N -0.85 0.01 -0.10 10.12 2.12 0.20 -2.29 118.70 127.90 2cwu s GLU 399 Ca 0.09 0.26 -0.02 0.00 0.36 0.00 0.00 54.97 55.66 2cwu s GLU 399 Cb -0.09 -0.23 -0.03 0.00 0.26 0.00 0.00 34.13 34.04 2cwu s GLU 399 CO 0.00 -0.17 -0.00 0.00 -0.54 0.00 0.00 175.26 174.55 2cwu s ALA 400 N 1.15 3.25 -0.23 6.30 0.00 0.18 -0.68 121.76 131.72 2cwu s ALA 400 Ca -0.09 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.08 2cwu s ALA 400 Cb -0.12 -1.51 0.04 0.00 0.00 0.00 0.00 23.12 21.52 2cwu s ALA 400 CO -0.04 0.51 -0.12 0.15 0.00 0.00 0.00 175.76 176.26 2cwu s LYS 401 N -0.63 2.68 -0.20 0.00 1.02 0.18 -2.49 119.74 120.31 2cwu s LYS 401 Ca 0.10 -1.06 -0.11 0.00 0.02 0.00 0.00 55.97 54.92 2cwu s LYS 401 Cb -0.12 -2.82 -0.05 0.00 -0.52 0.00 0.00 37.83 34.32 2cwu s LYS 401 CO 0.02 -0.40 0.18 0.00 -0.92 0.00 0.00 175.35 174.24 2cwu s ALA 402 N 1.24 3.65 0.00 5.17 0.00 -0.22 -0.52 121.76 131.08 2cwu s ALA 402 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2cwu s ALA 402 Cb -0.17 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.69 2cwu s ALA 402 CO -0.07 0.07 0.00 -2.37 0.00 0.00 0.00 175.76 173.39 2cwu n THR 403 N 3.68 0.00 0.00 0.00 5.66 -0.50 -1.86 114.28 121.27 2cwu n THR 403 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 2cwu n THR 403 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 2cwu n THR 403 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2cwu n GLY 404 N 0.00 0.23 3.31 1.09 0.00 -1.26 -2.52 105.19 106.03 2cwu n GLY 404 Ca 0.00 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 2cwu n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cwu s VAL 405 N 0.00 2.33 0.52 1.61 1.01 0.28 -1.25 120.40 124.89 2cwu s VAL 405 Ca 0.00 -0.97 -0.21 0.00 0.00 0.00 0.00 61.98 60.80 2cwu s VAL 405 Cb 0.00 -1.87 -0.06 0.00 0.00 0.00 0.00 36.38 34.45 2cwu s VAL 405 CO 0.00 0.57 1.21 0.68 0.00 0.00 0.00 175.10 177.56 2cwu s VAL 406 N -0.19 2.79 0.09 2.92 -7.23 -1.26 -4.75 120.40 112.77 2cwu s VAL 406 Ca -0.02 0.56 -0.30 0.00 -1.81 0.00 0.00 61.98 60.40 2cwu s VAL 406 Cb -0.14 -3.26 -0.06 0.00 0.56 0.00 0.00 36.38 33.48 2cwu s VAL 406 CO 0.03 -0.05 1.15 0.12 -0.31 0.00 0.00 175.10 176.05 2cwu s PHE 407 N -1.54 3.50 0.45 2.82 5.36 -1.26 -5.00 117.98 122.31 2cwu s PHE 407 Ca 0.70 1.43 0.07 0.00 -0.96 0.00 0.00 56.93 58.16 2cwu s PHE 407 Cb -0.31 -3.35 -0.02 0.00 -0.34 0.00 0.00 43.02 39.01 2cwu s PHE 407 CO 0.36 -0.96 0.30 0.95 -1.46 0.00 0.00 175.22 174.41 2cwu s THR 408 N 0.67 2.21 0.20 0.12 -4.23 -1.26 -4.09 115.64 109.25 2cwu s THR 408 Ca 0.55 -1.54 -0.07 0.00 -1.18 0.00 0.00 61.69 59.46 2cwu s THR 408 Cb -0.29 -2.74 0.03 0.00 1.34 0.00 0.00 72.50 70.84 2cwu s THR 408 CO 0.31 0.00 0.38 -1.54 -0.54 0.00 0.00 174.62 173.23 2cwu n SER 409 N -1.48 -1.10 -4.88 3.99 3.41 -0.27 -4.89 113.62 108.41 2cwu n SER 409 Ca -0.00 -1.83 -0.30 0.00 -0.26 0.00 0.00 58.87 56.48 2cwu n SER 409 Cb 0.64 1.85 -0.03 0.00 -0.26 0.00 0.00 64.21 66.40 2cwu n SER 409 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cwu s ALA 410 N -1.64 3.41 -0.34 7.33 0.00 -1.26 -0.02 121.76 129.24 2cwu s ALA 410 Ca 0.09 -0.27 -0.13 0.00 0.00 0.00 0.00 51.96 51.65 2cwu s ALA 410 Cb -0.02 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 2cwu s ALA 410 CO 0.07 0.07 0.27 0.12 0.00 0.00 0.00 175.76 176.29 2cwu s PHE 411 N -2.28 3.22 0.40 0.00 5.36 -0.09 -4.10 117.98 120.49 2cwu s PHE 411 Ca 0.50 -0.15 -0.25 0.00 -0.96 0.00 0.00 56.93 56.07 2cwu s PHE 411 Cb -0.10 -2.53 -0.11 0.00 -0.34 0.00 0.00 43.02 39.94 2cwu s PHE 411 CO 0.30 -0.37 1.10 -2.30 -1.46 0.00 0.00 175.22 172.49 2cwu n PRO 412 N 5.18 1.56 -2.27 10.12 -0.02 -1.26 -4.79 135.00 143.52 2cwu n PRO 412 Ca -0.12 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 2cwu n PRO 412 Cb 0.50 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 2cwu n PRO 412 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2cwu s GLU 413 N -2.02 4.32 0.00 -0.52 2.12 -1.26 -1.71 118.70 119.63 2cwu s GLU 413 Ca 0.62 1.92 0.00 0.00 0.36 0.00 0.00 54.97 57.87 2cwu s GLU 413 Cb -0.56 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.37 2cwu s GLU 413 CO 0.58 -0.47 0.00 0.41 -0.54 0.00 0.00 175.26 175.23 2cwu n GLY 414 N 3.51 0.33 2.55 -1.50 0.00 -1.26 -4.99 105.19 103.82 2cwu n GLY 414 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2cwu n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cwu n GLY 415 N -1.68 -2.11 3.52 -0.02 0.00 -0.69 -5.06 105.19 99.16 2cwu n GLY 415 Ca 0.00 -1.80 -0.16 0.00 0.00 0.00 0.00 46.02 44.06 2cwu n GLY 415 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cwu s SER 416 N -3.53 -0.59 0.00 1.61 0.15 -1.26 -4.56 113.70 105.53 2cwu s SER 416 Ca 0.00 0.58 0.23 0.00 0.70 0.00 0.00 55.95 57.47 2cwu s SER 416 Cb 0.00 0.49 0.26 0.00 -1.71 0.00 0.00 66.02 65.06 2cwu s SER 416 CO 0.00 -0.58 1.29 0.47 1.20 0.00 0.00 173.24 175.62 2cwu n ASP 417 N 0.75 3.11 0.00 5.45 8.00 -1.26 -4.38 116.55 128.22 2cwu n ASP 417 Ca -0.17 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.36 2cwu n ASP 417 Cb 0.58 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 2cwu n ASP 417 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2cwu n ASN 418 N 1.36 0.73 -3.85 -2.24 4.13 -1.26 -5.06 115.26 109.07 2cwu n ASN 418 Ca 0.15 -1.36 -0.12 0.00 1.68 0.00 0.00 54.58 54.94 2cwu n ASN 418 Cb 0.59 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.71 2cwu n ASN 418 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2cwu s ILE 419 N -0.36 0.04 0.11 2.41 -1.09 -1.26 -1.40 121.20 119.65 2cwu s ILE 419 Ca 0.00 -0.31 0.06 0.00 -2.23 0.00 0.00 60.65 58.17 2cwu s ILE 419 Cb 0.00 -0.28 -0.04 0.00 -1.58 0.00 0.00 42.46 40.56 2cwu s ILE 419 CO 0.00 -0.17 -0.02 -0.94 -1.23 0.00 0.00 174.94 172.58 2cwu s SER 420 N -0.54 4.83 -0.18 3.58 1.04 -0.79 -4.60 113.70 117.04 2cwu s SER 420 Ca -0.06 -0.27 -0.17 0.00 0.48 0.00 0.00 55.95 55.92 2cwu s SER 420 Cb -0.04 -1.08 -0.04 0.00 0.10 0.00 0.00 66.02 64.97 2cwu s SER 420 CO 0.01 0.15 0.45 -1.58 0.98 0.00 0.00 173.24 173.25 2cwu s GLN 421 N -2.44 4.21 -0.02 4.02 0.74 -1.26 -0.69 119.66 124.23 2cwu s GLN 421 Ca 0.25 0.32 0.12 0.00 0.05 0.00 0.00 55.36 56.10 2cwu s GLN 421 Cb -0.11 -3.52 -0.18 0.00 1.10 0.00 0.00 33.01 30.29 2cwu s GLN 421 CO 0.17 -0.03 0.28 1.28 -0.55 0.00 0.00 175.29 176.44 2cwu n LEU 422 N 4.40 0.04 -3.76 3.68 4.77 -0.57 -4.59 117.00 120.97 2cwu n LEU 422 Ca -0.07 -0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.79 2cwu n LEU 422 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2cwu n LEU 422 CO 0.41 0.01 0.44 0.00 -1.33 0.00 0.00 177.39 176.92 2cwu s ALA 423 N -2.79 -1.27 -0.21 -1.18 0.00 -1.23 -4.82 121.76 110.26 2cwu s ALA 423 Ca -0.04 -0.15 -0.35 0.00 0.00 0.00 0.00 51.96 51.43 2cwu s ALA 423 Cb 0.08 0.86 -0.12 0.00 0.00 0.00 0.00 23.12 23.95 2cwu s ALA 423 CO 0.50 -0.97 1.99 -2.30 0.00 0.00 0.00 175.76 174.98 2cwu n PRO 424 N -0.44 1.68 -0.56 0.00 -0.02 -1.26 -0.72 135.00 133.67 2cwu n PRO 424 Ca -0.07 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2cwu n PRO 424 Cb 0.60 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2cwu n PRO 424 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cwu n GLY 425 N 5.16 1.13 3.67 -1.23 0.00 -1.26 -4.57 105.19 108.09 2cwu n GLY 425 Ca 0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 2cwu n GLY 425 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cwu s LEU 426 N 0.00 4.15 0.29 0.99 2.96 0.10 -0.92 118.68 126.25 2cwu s LEU 426 Ca 0.00 0.31 0.09 0.00 -0.22 0.00 0.00 54.13 54.31 2cwu s LEU 426 Cb 0.00 -2.29 -0.05 0.00 0.50 0.00 0.00 46.19 44.36 2cwu s LEU 426 CO 0.00 0.02 0.00 -0.83 -1.32 0.00 0.00 176.35 174.22 2cwu s GLY 427 N 0.96 1.80 -0.27 7.98 0.00 0.97 -1.51 107.32 117.25 2cwu s GLY 427 Ca 0.13 -1.76 -0.02 0.00 0.00 0.00 0.00 44.72 43.06 2cwu s GLY 427 CO 0.05 -1.78 0.09 0.00 0.00 0.00 0.00 173.10 171.46 2cwu s ALA 428 N -2.40 1.07 0.33 3.20 0.00 0.14 -1.12 121.76 122.99 2cwu s ALA 428 Ca 0.33 -1.21 -0.29 0.00 0.00 0.00 0.00 51.96 50.79 2cwu s ALA 428 Cb -0.04 -1.42 -0.12 0.00 0.00 0.00 0.00 23.12 21.53 2cwu s ALA 428 CO 0.20 -1.53 1.44 -2.30 0.00 0.00 0.00 175.76 173.57 2cwu n PRO 429 N 5.04 2.44 -1.96 0.00 -0.02 -1.26 -1.88 135.00 137.36 2cwu n PRO 429 Ca -0.05 0.86 -0.38 0.00 -2.02 0.00 0.00 63.50 61.91 2cwu n PRO 429 Cb 0.43 -2.55 0.02 0.00 -0.02 0.00 0.00 33.50 31.38 2cwu n PRO 429 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2cwu s PHE 430 N -0.74 2.52 0.23 6.00 0.08 -0.50 -4.85 117.98 120.74 2cwu s PHE 430 Ca 0.58 1.42 -0.21 0.00 0.12 0.00 0.00 56.93 58.84 2cwu s PHE 430 Cb -0.53 -3.66 0.06 0.00 -0.57 0.00 0.00 43.02 38.32 2cwu s PHE 430 CO 0.58 -2.39 0.92 -3.38 -0.10 0.00 0.00 175.22 170.85 2cwu s HIS 431 N -1.37 -0.02 0.19 0.36 -3.43 -1.02 -0.60 115.29 109.40 2cwu s HIS 431 Ca 0.67 -0.42 0.05 0.00 -0.80 0.00 0.00 55.06 54.56 2cwu s HIS 431 Cb -0.36 0.71 -0.05 0.00 -1.43 0.00 0.00 32.58 31.45 2cwu s HIS 431 CO 0.44 -1.08 -0.09 -0.65 -2.00 0.00 0.00 174.74 171.36 2cwu s GLN 432 N -2.80 1.25 -0.29 -0.38 -0.21 -0.73 -0.29 119.66 116.20 2cwu s GLN 432 Ca 0.16 -1.57 0.01 0.00 0.02 0.00 0.00 55.36 53.97 2cwu s GLN 432 Cb -0.03 -0.82 0.09 0.00 1.00 0.00 0.00 33.01 33.25 2cwu s GLN 432 CO 0.06 0.06 0.04 -1.01 -2.12 0.00 0.00 175.29 172.32 2cwu s HIS 433 N -3.21 2.43 -0.18 0.91 3.76 -0.22 -3.22 115.29 115.56 2cwu s HIS 433 Ca 0.22 -2.04 -0.01 0.00 -0.15 0.00 0.00 55.06 53.08 2cwu s HIS 433 Cb 0.02 -1.97 -0.00 0.00 1.11 0.00 0.00 32.58 31.74 2cwu s HIS 433 CO 0.05 -0.85 -0.12 0.42 -0.85 0.00 0.00 174.74 173.38 2cwu s ILE 434 N 1.37 2.81 0.26 0.60 1.01 -0.01 -1.00 121.20 126.24 2cwu s ILE 434 Ca 0.05 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 60.06 2cwu s ILE 434 Cb -0.18 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 2cwu s ILE 434 CO -0.14 0.49 0.29 -0.36 0.00 0.00 0.00 174.94 175.21 2cwu s PHE 435 N 1.07 3.23 -0.14 3.97 0.40 0.11 -0.97 117.98 125.65 2cwu s PHE 435 Ca -0.00 -0.09 -0.02 0.00 -0.60 0.00 0.00 56.93 56.22 2cwu s PHE 435 Cb -0.15 -1.53 0.04 0.00 0.51 0.00 0.00 43.02 41.89 2cwu s PHE 435 CO -0.03 0.43 0.00 0.45 0.70 0.00 0.00 175.22 176.77 2cwu s SER 436 N -3.93 2.34 -0.26 1.36 0.15 -0.42 -1.69 113.70 111.25 2cwu s SER 436 Ca 0.35 -0.48 -0.14 0.00 0.70 0.00 0.00 55.95 56.37 2cwu s SER 436 Cb -0.08 -0.61 -0.04 0.00 -1.71 0.00 0.00 66.02 63.58 2cwu s SER 436 CO 0.27 -0.23 0.34 0.00 1.20 0.00 0.00 173.24 174.82 2cwu s ALA 437 N 1.85 3.56 -0.33 5.45 0.00 -0.05 -0.54 121.76 131.71 2cwu s ALA 437 Ca 0.02 -0.80 -0.14 0.00 0.00 0.00 0.00 51.96 51.04 2cwu s ALA 437 Cb -0.15 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 2cwu s ALA 437 CO -0.07 -0.55 0.28 0.50 0.00 0.00 0.00 175.76 175.93 2cwu s ARG 438 N 1.82 3.57 -0.35 0.00 3.52 0.40 -1.03 118.95 126.88 2cwu s ARG 438 Ca 0.14 -0.52 -0.00 0.00 -0.13 0.00 0.00 55.73 55.22 2cwu s ARG 438 Cb -0.15 -3.79 0.09 0.00 -1.56 0.00 0.00 34.95 29.54 2cwu s ARG 438 CO 0.09 -0.44 0.09 -0.51 -0.81 0.00 0.00 175.30 173.72 2cwu s LEU 439 N 1.84 4.67 -0.81 -0.88 1.43 0.14 -2.06 118.68 123.01 2cwu s LEU 439 Ca 0.08 -1.85 -0.26 0.00 -1.03 0.00 0.00 54.13 51.07 2cwu s LEU 439 Cb -0.17 -1.72 0.04 0.00 0.03 0.00 0.00 46.19 44.36 2cwu s LEU 439 CO 0.11 -0.40 1.31 -0.62 0.23 0.00 0.00 176.35 176.98 2cwu s ASP 440 N 1.37 6.25 0.60 2.29 2.15 0.55 -0.67 116.67 129.20 2cwu s ASP 440 Ca 0.05 -0.72 -0.17 0.00 0.43 0.00 0.00 52.55 52.14 2cwu s ASP 440 Cb -0.21 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 39.83 2cwu s ASP 440 CO -0.05 -1.75 1.13 -0.04 -0.17 0.00 0.00 175.17 174.29 2cwu s MET 441 N 5.49 3.07 -0.41 4.34 -1.94 -1.05 -0.06 119.30 128.73 2cwu s MET 441 Ca 0.37 1.53 0.09 0.00 -1.71 0.00 0.00 55.69 55.96 2cwu s MET 441 Cb -0.06 -1.97 0.37 0.00 2.01 0.00 0.00 34.83 35.17 2cwu s MET 441 CO 0.09 -1.06 1.25 0.00 -0.01 0.00 0.00 175.02 175.28 2cwu n ALA 442 N -1.84 0.72 -1.74 3.03 0.00 -0.46 -4.51 120.51 115.71 2cwu n ALA 442 Ca 0.11 -1.49 -0.39 0.00 0.00 0.00 0.00 53.44 51.67 2cwu n ALA 442 Cb 0.51 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 2cwu n ALA 442 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2cwu s ILE 443 N -0.01 3.16 -1.47 0.00 -1.09 -1.05 -2.10 121.20 118.63 2cwu s ILE 443 Ca 0.23 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 2cwu s ILE 443 Cb 0.37 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.94 2cwu s ILE 443 CO -0.07 -0.26 0.00 0.47 -1.23 0.00 0.00 174.94 173.85 2cwu n ASP 444 N 13.37 -4.74 0.00 3.58 8.00 0.41 -4.53 116.55 132.64 2cwu n ASP 444 Ca 0.29 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.96 2cwu n ASP 444 Cb 0.51 -4.04 0.00 0.00 -0.02 0.00 0.00 41.12 37.56 2cwu n ASP 444 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cwu n GLY 445 N -0.77 1.08 0.09 0.44 0.00 -0.89 -4.90 105.19 100.24 2cwu n GLY 445 Ca -0.19 -2.14 0.13 0.00 0.00 0.00 0.00 46.02 43.82 2cwu n GLY 445 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2cwu n PHE 446 N -1.46 0.77 -2.45 1.61 3.72 -1.26 -4.15 117.46 114.24 2cwu n PHE 446 Ca 0.00 0.22 -0.38 0.00 -0.05 0.00 0.00 57.45 57.24 2cwu n PHE 446 Cb 0.00 -0.83 -0.03 0.00 -0.94 0.00 0.00 39.48 37.68 2cwu n PHE 446 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2cwu s THR 447 N -3.11 3.80 0.34 4.37 2.01 -1.26 -2.94 115.64 118.85 2cwu s THR 447 Ca 0.09 -0.57 0.05 0.00 0.31 0.00 0.00 61.69 61.58 2cwu s THR 447 Cb 0.13 -4.82 -0.07 0.00 0.01 0.00 0.00 72.50 67.75 2cwu s THR 447 CO 0.63 -1.72 0.02 0.20 -0.69 0.00 0.00 174.62 173.06 2cwu s ASN 448 N 5.53 2.95 0.10 3.53 0.01 -0.38 -4.14 114.94 122.54 2cwu s ASN 448 Ca 0.50 -1.34 -0.14 0.00 -0.71 0.00 0.00 52.86 51.17 2cwu s ASN 448 Cb -0.02 -0.20 0.03 0.00 0.41 0.00 0.00 41.25 41.46 2cwu s ASN 448 CO -0.05 -0.50 0.34 0.00 -1.51 0.00 0.00 177.10 175.38 2cwu s ARG 449 N -3.80 0.98 -0.04 -0.60 1.70 -0.50 -0.91 118.95 115.80 2cwu s ARG 449 Ca 0.35 -0.73 0.07 0.00 -0.47 0.00 0.00 55.73 54.95 2cwu s ARG 449 Cb 0.08 0.43 -0.02 0.00 -0.57 0.00 0.00 34.95 34.87 2cwu s ARG 449 CO 0.16 -0.36 -0.25 0.08 -1.08 0.00 0.00 175.30 173.85 2cwu s VAL 450 N -3.63 1.99 -0.03 4.99 1.01 -1.26 -1.24 120.40 122.23 2cwu s VAL 450 Ca 0.02 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 61.00 2cwu s VAL 450 Cb 0.02 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 2cwu s VAL 450 CO -0.10 0.56 -0.20 -1.61 0.00 0.00 0.00 175.10 173.75 2cwu s GLU 451 N -0.39 1.78 -0.20 2.72 2.02 -0.09 -1.27 118.70 123.27 2cwu s GLU 451 Ca 0.04 -0.71 -0.18 0.00 0.02 0.00 0.00 54.97 54.14 2cwu s GLU 451 Cb -0.11 -1.64 -0.03 0.00 0.10 0.00 0.00 34.13 32.45 2cwu s GLU 451 CO 0.01 0.37 0.48 -2.00 0.02 0.00 0.00 175.26 174.14 2cwu s GLU 452 N -0.29 4.18 -0.21 1.61 2.12 -0.09 -0.72 118.70 125.29 2cwu s GLU 452 Ca 0.03 0.34 -0.04 0.00 0.36 0.00 0.00 54.97 55.66 2cwu s GLU 452 Cb -0.09 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.72 2cwu s GLU 452 CO 0.01 -0.13 -0.03 -2.00 -0.54 0.00 0.00 175.26 172.56 2cwu s GLU 453 N 1.58 3.45 0.09 4.30 2.12 0.09 -1.31 118.70 129.02 2cwu s GLU 453 Ca 0.22 -0.60 0.09 0.00 0.36 0.00 0.00 54.97 55.05 2cwu s GLU 453 Cb -0.15 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 2cwu s GLU 453 CO 0.09 -0.11 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.97 2cwu s ASP 454 N 1.28 3.60 0.41 -1.70 1.01 -0.64 -1.53 116.67 119.11 2cwu s ASP 454 Ca 0.03 -0.58 -0.24 0.00 0.71 0.00 0.00 52.55 52.48 2cwu s ASP 454 Cb -0.14 -0.44 -0.09 0.00 1.01 0.00 0.00 42.92 43.26 2cwu s ASP 454 CO -0.01 0.21 1.06 -0.69 0.21 0.00 0.00 175.17 175.96 2cwu s VAL 455 N -1.01 3.65 -0.18 -1.27 1.01 0.26 -1.10 120.40 121.75 2cwu s VAL 455 Ca 0.15 1.26 0.01 0.00 0.00 0.00 0.00 61.98 63.39 2cwu s VAL 455 Cb -0.10 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.67 2cwu s VAL 455 CO 0.07 0.00 -0.13 -0.69 0.00 0.00 0.00 175.10 174.35 2cwu s VAL 456 N -1.65 1.68 0.42 2.92 1.01 0.11 -4.83 120.40 120.06 2cwu s VAL 456 Ca 0.58 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 2cwu s VAL 456 Cb -0.23 -1.67 -0.09 0.00 0.00 0.00 0.00 36.38 34.39 2cwu s VAL 456 CO 0.28 0.30 0.88 -0.13 0.00 0.00 0.00 175.10 176.43 2cwu s ARG 457 N 1.40 4.06 0.09 2.72 0.52 -1.26 -0.26 118.95 126.22 2cwu s ARG 457 Ca 0.01 0.90 0.09 0.00 -0.52 0.00 0.00 55.73 56.21 2cwu s ARG 457 Cb -0.15 -2.26 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 2cwu s ARG 457 CO -0.09 -0.03 -0.23 -0.65 0.02 0.00 0.00 175.30 174.31 2cwu s GLN 458 N -3.39 1.37 0.13 3.54 -0.21 -1.25 -4.89 119.66 114.96 2cwu s GLN 458 Ca 0.58 -1.15 -0.20 0.00 0.02 0.00 0.00 55.36 54.61 2cwu s GLN 458 Cb -0.10 -1.65 -0.07 0.00 1.00 0.00 0.00 33.01 32.19 2cwu s GLN 458 CO 0.20 0.40 0.64 0.99 -2.12 0.00 0.00 175.29 175.40 2cwu s THR 459 N -0.99 4.64 0.22 -0.19 2.01 -1.26 -4.89 115.64 115.18 2cwu s THR 459 Ca 0.10 1.28 -0.31 0.00 0.31 0.00 0.00 61.69 63.07 2cwu s THR 459 Cb -0.10 -3.92 -0.10 0.00 0.01 0.00 0.00 72.50 68.39 2cwu s THR 459 CO 0.04 0.44 1.53 -0.32 -0.69 0.00 0.00 174.62 175.61 2cwu s MET 460 N -1.40 4.22 0.00 4.92 1.75 -1.26 -4.81 119.30 122.71 2cwu s MET 460 Ca 0.34 2.38 0.00 0.00 -1.25 0.00 0.00 55.69 57.16 2cwu s MET 460 Cb -0.19 -3.11 0.00 0.00 2.84 0.00 0.00 34.83 34.37 2cwu s MET 460 CO 0.21 -0.54 0.00 0.41 -0.65 0.00 0.00 175.02 174.45 2cwu n GLY 461 N 2.88 -0.50 3.66 2.11 0.00 -0.73 -4.98 105.19 107.63 2cwu n GLY 461 Ca 0.10 -0.99 -0.49 0.00 0.00 0.00 0.00 46.02 44.64 2cwu n GLY 461 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2cwu n PRO 462 N 0.00 1.88 -0.24 1.61 -0.02 -1.26 -0.24 135.00 136.73 2cwu n PRO 462 Ca 0.00 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2cwu n PRO 462 Cb 0.00 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 2cwu n PRO 462 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cwu n GLY 463 N 3.54 1.46 2.69 -1.23 0.00 -1.26 -4.79 105.19 105.60 2cwu n GLY 463 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 2cwu n GLY 463 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2cwu n ASN 464 N 0.00 -1.49 -0.21 1.61 5.15 0.66 -5.01 115.26 115.97 2cwu n ASN 464 Ca 0.00 -2.62 0.16 0.00 -0.60 0.00 0.00 54.58 51.52 2cwu n ASN 464 Cb 0.00 0.89 0.48 0.00 -0.53 0.00 0.00 39.78 40.62 2cwu n ASN 464 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2cwu h GLU 465 N 2.24 0.45 -0.01 1.20 3.07 -1.36 -0.81 114.58 119.36 2cwu h GLU 465 Ca -0.23 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 2cwu h GLU 465 Cb 1.26 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2cwu h GLU 465 CO 0.03 0.30 -0.15 0.54 -1.40 0.00 0.00 179.01 178.33 2cwu n ARG 466 N -4.51 1.13 -2.81 2.33 1.74 -1.26 -4.60 116.66 108.68 2cwu n ARG 466 Ca 0.17 -0.64 -0.21 0.00 -0.77 0.00 0.00 57.85 56.40 2cwu n ARG 466 Cb 0.58 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.55 2cwu n ARG 466 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cwu n GLY 467 N 1.27 -0.46 0.01 -0.13 0.00 -0.39 -4.90 105.19 100.60 2cwu n GLY 467 Ca 0.15 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.30 2cwu n GLY 467 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2cwu n ASN 468 N -2.16 1.13 -4.76 1.61 6.94 -1.26 -4.87 115.26 111.88 2cwu n ASN 468 Ca -0.14 -0.18 -0.38 0.00 -0.02 0.00 0.00 54.58 53.86 2cwu n ASN 468 Cb 0.63 1.60 0.02 0.00 -2.36 0.00 0.00 39.78 39.67 2cwu n ASN 468 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2cwu s ALA 469 N -3.01 2.89 -0.02 -2.53 0.00 -1.26 -5.04 121.76 112.78 2cwu s ALA 469 Ca -0.04 1.15 -0.19 0.00 0.00 0.00 0.00 51.96 52.88 2cwu s ALA 469 Cb 0.11 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.78 2cwu s ALA 469 CO 0.68 -1.04 0.41 -0.59 0.00 0.00 0.00 175.76 175.22 2cwu s PHE 470 N -1.41 -0.30 0.00 0.00 -0.12 -1.26 -3.81 117.98 111.07 2cwu s PHE 470 Ca 0.68 0.47 0.00 0.00 -0.05 0.00 0.00 56.93 58.03 2cwu s PHE 470 Cb -0.35 0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.22 2cwu s PHE 470 CO 0.42 -0.46 0.00 0.45 -0.05 0.00 0.00 175.22 175.58 2cwu n SER 471 N 1.12 0.12 -3.56 1.98 2.88 0.64 -4.99 113.62 111.81 2cwu n SER 471 Ca -0.21 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.22 2cwu n SER 471 Cb 0.57 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.99 2cwu n SER 471 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cwu s ARG 472 N 1.59 1.14 0.03 -1.46 1.70 -1.26 -0.71 118.95 119.98 2cwu s ARG 472 Ca 0.00 -0.61 0.01 0.00 -0.47 0.00 0.00 55.73 54.66 2cwu s ARG 472 Cb 0.00 0.51 -0.02 0.00 -0.57 0.00 0.00 34.95 34.87 2cwu s ARG 472 CO 0.00 -0.47 -0.05 -1.59 -1.08 0.00 0.00 175.30 172.12 2cwu s LYS 473 N -3.73 0.43 -0.05 3.89 -2.85 -0.26 -4.80 119.74 112.37 2cwu s LYS 473 Ca 0.02 -0.75 0.03 0.00 -1.00 0.00 0.00 55.97 54.27 2cwu s LYS 473 Cb 0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.75 2cwu s LYS 473 CO -0.12 -0.02 -0.14 1.03 0.10 0.00 0.00 175.35 176.20 2cwu s ARG 474 N -1.83 1.69 -0.18 1.78 0.52 -1.26 -1.62 118.95 118.05 2cwu s ARG 474 Ca -0.11 -0.49 0.01 0.00 -0.52 0.00 0.00 55.73 54.62 2cwu s ARG 474 Cb -0.08 -1.43 0.02 0.00 0.52 0.00 0.00 34.95 33.98 2cwu s ARG 474 CO -0.02 0.13 -0.20 0.99 0.02 0.00 0.00 175.30 176.22 2cwu s THR 475 N 0.35 2.05 0.16 0.02 2.01 -0.43 -4.92 115.64 114.88 2cwu s THR 475 Ca -0.09 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.68 2cwu s THR 475 Cb -0.13 -1.85 -0.07 0.00 0.01 0.00 0.00 72.50 70.46 2cwu s THR 475 CO 0.03 0.54 1.07 -0.69 -0.69 0.00 0.00 174.62 174.88 2cwu s VAL 476 N 1.29 4.02 -0.42 3.82 1.01 -1.26 -0.91 120.40 127.95 2cwu s VAL 476 Ca 0.05 1.72 -0.20 0.00 0.00 0.00 0.00 61.98 63.55 2cwu s VAL 476 Cb -0.13 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.17 2cwu s VAL 476 CO -0.13 0.28 0.60 -0.76 0.00 0.00 0.00 175.10 175.10 2cwu s LEU 477 N -0.24 4.51 -0.01 3.92 1.43 -0.39 -4.93 118.68 122.96 2cwu s LEU 477 Ca 0.49 -0.30 0.18 0.00 -1.03 0.00 0.00 54.13 53.47 2cwu s LEU 477 Cb -0.28 -2.67 -0.19 0.00 0.03 0.00 0.00 46.19 43.07 2cwu s LEU 477 CO 0.33 -0.70 0.60 0.35 0.23 0.00 0.00 176.35 177.16 2cwu n THR 478 N 5.73 1.06 -4.08 5.49 -2.24 -1.26 -4.30 114.28 114.68 2cwu n THR 478 Ca -0.03 -0.70 -0.12 0.00 -2.27 0.00 0.00 64.05 60.93 2cwu n THR 478 Cb 0.48 -0.57 -0.11 0.00 -2.10 0.00 0.00 70.33 68.03 2cwu n THR 478 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2cwu s ARG 479 N -2.91 0.58 0.42 -0.78 1.81 -1.26 -1.51 118.95 115.31 2cwu s ARG 479 Ca -0.05 -0.89 0.10 0.00 -1.72 0.00 0.00 55.73 53.17 2cwu s ARG 479 Cb 0.09 -0.22 0.95 0.00 -0.45 0.00 0.00 34.95 35.31 2cwu s ARG 479 CO 0.83 0.02 2.03 0.93 -0.68 0.00 0.00 175.30 178.43 2cwu h GLU 480 N 4.12 0.46 0.00 3.54 5.08 -1.55 -1.06 114.58 125.17 2cwu h GLU 480 Ca -0.35 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2cwu h GLU 480 Cb 1.19 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2cwu h GLU 480 CO 0.47 0.30 0.00 0.66 -1.00 0.00 0.00 179.01 179.44 2cwu h SER 481 N 0.47 0.00 -0.13 1.42 4.64 -1.86 -0.56 113.55 117.52 2cwu h SER 481 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2cwu h SER 481 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2cwu h SER 481 CO -0.05 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.07 2cwu n GLU 482 N -2.90 2.42 -0.95 4.77 0.28 -0.42 -4.69 120.64 119.17 2cwu n GLU 482 Ca -0.03 -2.28 -0.10 0.00 -0.16 0.00 0.00 57.16 54.59 2cwu n GLU 482 Cb 0.07 -1.42 0.21 0.00 1.43 0.00 0.00 31.44 31.72 2cwu n GLU 482 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2cwu n ALA 483 N -0.60 4.68 -3.77 -1.84 0.00 -0.22 -4.82 120.51 113.94 2cwu n ALA 483 Ca 0.13 -2.93 -0.36 0.00 0.00 0.00 0.00 53.44 50.28 2cwu n ALA 483 Cb 0.57 -1.02 -0.12 0.00 0.00 0.00 0.00 19.45 18.88 2cwu n ALA 483 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2cwu s VAL 484 N -3.21 3.23 0.18 0.00 1.01 -1.26 -1.91 120.40 118.44 2cwu s VAL 484 Ca 0.50 -2.03 0.08 0.00 0.00 0.00 0.00 61.98 60.52 2cwu s VAL 484 Cb 0.43 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2cwu s VAL 484 CO 0.05 -0.66 -0.02 -0.13 0.00 0.00 0.00 175.10 174.35 2cwu s ARG 485 N 1.14 2.34 0.23 2.72 1.81 0.93 -5.00 118.95 123.12 2cwu s ARG 485 Ca 0.08 -1.14 0.09 0.00 -1.72 0.00 0.00 55.73 53.04 2cwu s ARG 485 Cb -0.22 -2.32 -0.04 0.00 -0.45 0.00 0.00 34.95 31.92 2cwu s ARG 485 CO -0.04 0.45 -0.05 -1.83 -0.68 0.00 0.00 175.30 173.14 2cwu s GLU 486 N -2.94 2.16 0.76 3.54 -1.05 -1.26 -1.65 118.70 118.25 2cwu s GLU 486 Ca 0.27 -1.38 -0.11 0.00 -0.15 0.00 0.00 54.97 53.60 2cwu s GLU 486 Cb -0.09 -2.13 0.05 0.00 -0.44 0.00 0.00 34.13 31.51 2cwu s GLU 486 CO 0.18 0.39 1.09 0.00 0.95 0.00 0.00 175.26 177.87 2cwu s ALA 487 N -2.09 2.44 -0.48 -0.84 0.00 -1.26 -4.92 121.76 114.61 2cwu s ALA 487 Ca 0.29 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.17 2cwu s ALA 487 Cb -0.07 -3.12 0.18 0.00 0.00 0.00 0.00 23.12 20.11 2cwu s ALA 487 CO 0.18 -1.52 0.63 0.34 0.00 0.00 0.00 175.76 175.39 2cwu s ASP 488 N -3.92 -0.86 0.33 0.00 -1.08 -1.26 -5.02 116.67 104.86 2cwu s ASP 488 Ca 0.60 -1.79 0.01 0.00 -0.52 0.00 0.00 52.55 50.85 2cwu s ASP 488 Cb -0.14 1.47 0.58 0.00 -1.46 0.00 0.00 42.92 43.37 2cwu s ASP 488 CO 0.54 -0.10 1.98 0.00 0.52 0.00 0.00 175.17 178.11 2cwu h ALA 489 N 5.53 1.53 -0.51 3.66 0.00 -1.93 -2.11 119.26 125.43 2cwu h ALA 489 Ca 0.09 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2cwu h ALA 489 Cb 1.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2cwu h ALA 489 CO 0.09 0.41 0.34 -0.09 0.00 0.00 0.00 179.25 180.00 2cwu h ARG 490 N 0.94 0.48 -0.48 0.00 2.43 -1.99 -0.91 114.38 114.85 2cwu h ARG 490 Ca 0.29 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2cwu h ARG 490 Cb -0.00 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 2cwu h ARG 490 CO -0.08 0.32 0.00 0.25 -1.51 0.00 0.00 179.97 178.95 2cwu n THR 491 N -4.47 2.57 -4.07 0.20 -2.24 -0.94 -4.95 114.28 100.36 2cwu n THR 491 Ca 0.07 -1.54 -0.32 0.00 -2.27 0.00 0.00 64.05 59.98 2cwu n THR 491 Cb 0.21 -0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 68.19 2cwu n THR 491 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cwu n GLY 492 N 0.31 -0.42 3.73 3.38 0.00 -0.35 -0.58 105.19 111.26 2cwu n GLY 492 Ca 0.26 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 2cwu n GLY 492 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cwu s ARG 493 N -6.75 4.26 0.28 1.61 3.52 -0.84 -4.55 118.95 116.48 2cwu s ARG 493 Ca 0.58 2.27 0.03 0.00 -0.13 0.00 0.00 55.73 58.48 2cwu s ARG 493 Cb -0.31 -3.15 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 2cwu s ARG 493 CO 0.89 -0.48 0.18 0.95 -0.81 0.00 0.00 175.30 176.03 2cwu s THR 494 N 0.61 0.15 -0.06 4.11 -4.23 -0.58 -4.75 115.64 110.89 2cwu s THR 494 Ca 0.64 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.17 2cwu s THR 494 Cb -0.41 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 70.93 2cwu s THR 494 CO 0.36 0.00 -0.10 0.26 -0.54 0.00 0.00 174.62 174.60 2cwu s TRP 495 N -3.74 1.26 -0.18 3.99 0.51 -1.18 -0.74 118.94 118.86 2cwu s TRP 495 Ca 0.38 -0.44 -0.05 0.00 -2.12 0.00 0.00 56.10 53.87 2cwu s TRP 495 Cb 0.05 -0.95 -0.03 0.00 -0.81 0.00 0.00 33.47 31.73 2cwu s TRP 495 CO 0.18 -0.24 0.00 0.42 -0.51 0.00 0.00 176.95 176.80 2cwu s ILE 496 N 0.69 4.10 -0.26 2.03 1.01 0.10 -0.27 121.20 128.59 2cwu s ILE 496 Ca -0.13 -0.27 -0.09 0.00 0.00 0.00 0.00 60.65 60.15 2cwu s ILE 496 Cb -0.15 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 2cwu s ILE 496 CO 0.03 0.45 0.13 -0.63 0.00 0.00 0.00 174.94 174.92 2cwu s ILE 497 N 0.67 4.83 0.29 2.92 1.09 0.16 -0.91 121.20 130.25 2cwu s ILE 497 Ca -0.00 0.00 0.03 0.00 -1.10 0.00 0.00 60.65 59.58 2cwu s ILE 497 Cb -0.14 -3.27 -0.06 0.00 -1.06 0.00 0.00 42.46 37.93 2cwu s ILE 497 CO 0.02 0.31 0.07 -0.94 -0.10 0.00 0.00 174.94 174.30 2cwu s SER 498 N 1.55 1.85 -0.32 3.58 1.04 -0.37 -0.93 113.70 120.09 2cwu s SER 498 Ca 0.06 -1.37 -0.01 0.00 0.48 0.00 0.00 55.95 55.12 2cwu s SER 498 Cb -0.15 0.02 0.07 0.00 0.10 0.00 0.00 66.02 66.06 2cwu s SER 498 CO 0.07 -0.65 0.03 0.21 0.98 0.00 0.00 173.24 173.88 2cwu s ASN 499 N -3.40 4.91 0.11 7.02 3.84 -0.73 -1.41 114.94 125.28 2cwu s ASN 499 Ca 0.36 -1.52 0.14 0.00 0.21 0.00 0.00 52.86 52.05 2cwu s ASN 499 Cb 0.08 -1.71 0.62 0.00 -0.55 0.00 0.00 41.25 39.69 2cwu s ASN 499 CO 0.14 -0.32 1.42 -0.81 -2.79 0.00 0.00 177.10 174.74 2cwu n PRO 500 N 4.56 0.07 0.00 0.43 -0.04 -1.26 -2.16 135.00 136.60 2cwu n PRO 500 Ca -0.09 0.43 0.10 0.00 -0.04 0.00 0.00 63.50 63.89 2cwu n PRO 500 Cb 0.43 -1.66 0.03 0.00 -0.04 0.00 0.00 33.50 32.25 2cwu n PRO 500 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2cwu n GLU 501 N -1.80 1.60 -3.98 0.54 1.02 -1.26 -4.86 120.64 111.90 2cwu n GLU 501 Ca 0.01 -1.21 -0.30 0.00 -0.02 0.00 0.00 57.16 55.64 2cwu n GLU 501 Cb 0.11 -1.38 -0.16 0.00 -0.02 0.00 0.00 31.44 29.99 2cwu n GLU 501 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2cwu s SER 502 N -1.98 3.41 0.14 1.62 0.15 -0.92 -5.10 113.70 111.01 2cwu s SER 502 Ca 0.19 -0.91 0.08 0.00 0.70 0.00 0.00 55.95 56.01 2cwu s SER 502 Cb 0.16 -1.20 -0.04 0.00 -1.71 0.00 0.00 66.02 63.23 2cwu s SER 502 CO 0.39 -0.16 -0.09 -0.54 1.20 0.00 0.00 173.24 174.04 2cwu s LYS 503 N 1.41 2.11 0.89 5.44 1.02 -1.26 -0.86 119.74 128.49 2cwu s LYS 503 Ca -0.02 -1.13 -0.13 0.00 0.02 0.00 0.00 55.97 54.72 2cwu s LYS 503 Cb -0.16 -2.25 0.20 0.00 -0.52 0.00 0.00 37.83 35.10 2cwu s LYS 503 CO -0.08 0.47 1.21 0.27 -0.92 0.00 0.00 175.35 176.31 2cwu n ASN 504 N 0.39 0.33 0.09 2.83 0.23 0.45 -4.84 115.26 114.75 2cwu n ASN 504 Ca -0.12 -1.59 0.07 0.00 -0.53 0.00 0.00 54.58 52.41 2cwu n ASN 504 Cb 0.54 -0.91 0.35 0.00 -2.08 0.00 0.00 39.78 37.68 2cwu n ASN 504 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 2cwu n ARG 505 N -3.52 0.09 -0.62 -3.83 1.85 -1.26 -0.93 116.66 108.44 2cwu n ARG 505 Ca 0.16 0.54 0.08 0.00 -1.00 0.00 0.00 57.85 57.62 2cwu n ARG 505 Cb 0.56 -1.75 0.33 0.00 -1.05 0.00 0.00 32.46 30.54 2cwu n ARG 505 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2cwu n LEU 506 N -1.93 4.52 -2.48 2.89 4.77 -1.26 -4.91 117.00 118.59 2cwu n LEU 506 Ca -0.00 -2.28 -0.19 0.00 -0.03 0.00 0.00 56.01 53.50 2cwu n LEU 506 Cb 0.05 -0.58 0.02 0.00 -2.33 0.00 0.00 43.42 40.58 2cwu n LEU 506 CO 0.08 0.68 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.54 2cwu n ASN 507 N 0.85 -5.52 -4.34 -1.43 4.05 -0.11 -5.01 115.26 103.76 2cwu n ASN 507 Ca 0.23 -0.17 -0.32 0.00 0.45 0.00 0.00 54.58 54.77 2cwu n ASN 507 Cb 0.88 -4.43 -0.15 0.00 1.23 0.00 0.00 39.78 37.31 2cwu n ASN 507 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 2cwu s GLU 508 N -5.34 2.40 0.22 1.20 2.56 -1.25 -4.87 118.70 113.62 2cwu s GLU 508 Ca 0.18 -0.85 -0.32 0.00 0.00 0.00 0.00 54.97 53.98 2cwu s GLU 508 Cb -0.08 -2.19 -0.13 0.00 2.00 0.00 0.00 34.13 33.73 2cwu s GLU 508 CO 0.22 0.51 1.53 -2.30 -0.56 0.00 0.00 175.26 174.65 2cwu n PRO 509 N 2.61 2.27 -2.34 4.30 -0.02 -1.26 -0.41 135.00 140.15 2cwu n PRO 509 Ca -0.17 0.81 -0.35 0.00 -2.02 0.00 0.00 63.50 61.78 2cwu n PRO 509 Cb 0.52 -2.55 -0.01 0.00 -0.02 0.00 0.00 33.50 31.44 2cwu n PRO 509 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2cwu s VAL 510 N 0.39 3.37 0.31 -1.45 -7.23 -0.04 -4.81 120.40 110.94 2cwu s VAL 510 Ca 0.72 0.85 -0.19 0.00 -1.81 0.00 0.00 61.98 61.55 2cwu s VAL 510 Cb -0.62 -3.34 0.05 0.00 0.56 0.00 0.00 36.38 33.04 2cwu s VAL 510 CO 0.44 -0.19 0.84 -0.83 -0.31 0.00 0.00 175.10 175.05 2cwu s GLY 511 N -1.86 0.17 -0.01 2.32 0.00 -1.02 -1.78 107.32 105.15 2cwu s GLY 511 Ca 0.71 -0.51 0.02 0.00 0.00 0.00 0.00 44.72 44.94 2cwu s GLY 511 CO 0.25 0.28 -0.06 -0.19 0.00 0.00 0.00 173.10 173.37 2cwu s TYR 512 N -2.69 0.63 -0.21 1.90 1.51 -0.11 0.02 117.35 118.41 2cwu s TYR 512 Ca 0.15 -0.13 -0.06 0.00 -1.01 0.00 0.00 57.07 56.02 2cwu s TYR 512 Cb -0.04 -0.44 -0.03 0.00 -0.11 0.00 0.00 41.96 41.34 2cwu s TYR 512 CO 0.09 -0.04 0.04 0.21 -1.11 0.00 0.00 175.55 174.74 2cwu s LYS 513 N 0.01 3.74 -0.24 -0.62 2.20 0.91 -0.66 119.74 125.08 2cwu s LYS 513 Ca 0.00 -0.45 -0.21 0.00 -0.36 0.00 0.00 55.97 54.95 2cwu s LYS 513 Cb -0.05 -3.18 -0.02 0.00 -1.51 0.00 0.00 37.83 33.07 2cwu s LYS 513 CO -0.00 0.05 0.65 -1.17 -0.36 0.00 0.00 175.35 174.51 2cwu s LEU 514 N 0.95 4.08 -0.30 5.43 2.96 0.62 -1.04 118.68 131.39 2cwu s LEU 514 Ca 0.03 0.77 -0.08 0.00 -0.22 0.00 0.00 54.13 54.63 2cwu s LEU 514 Cb -0.14 -2.89 0.00 0.00 0.50 0.00 0.00 46.19 43.66 2cwu s LEU 514 CO 0.02 -0.36 0.10 -1.00 -1.32 0.00 0.00 176.35 173.79 2cwu s HIS 515 N 2.38 3.15 0.34 5.38 3.76 0.47 -3.11 115.29 127.65 2cwu s HIS 515 Ca 0.28 -0.83 0.02 0.00 -0.15 0.00 0.00 55.06 54.37 2cwu s HIS 515 Cb -0.16 -2.28 -0.03 0.00 1.11 0.00 0.00 32.58 31.23 2cwu s HIS 515 CO 0.09 -0.53 0.52 0.00 -0.85 0.00 0.00 174.74 173.97 2cwu s ALA 516 N 1.54 3.77 -1.06 -1.40 0.00 -1.26 -2.50 121.76 120.84 2cwu s ALA 516 Ca 0.03 -1.00 0.28 0.00 0.00 0.00 0.00 51.96 51.27 2cwu s ALA 516 Cb -0.17 -2.02 1.01 0.00 0.00 0.00 0.00 23.12 21.94 2cwu s ALA 516 CO 0.03 -0.00 1.76 0.72 0.00 0.00 0.00 175.76 178.27 2cwu n HIS 517 N -1.74 0.00 -3.75 0.00 8.25 -1.26 -4.95 115.22 111.78 2cwu n HIS 517 Ca -0.05 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.14 2cwu n HIS 517 Cb 0.57 -0.39 0.05 0.00 1.12 0.00 0.00 29.99 31.34 2cwu n HIS 517 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2cwu n ASN 518 N -1.45 -5.63 -4.87 0.41 3.02 -1.26 -5.00 115.26 100.48 2cwu n ASN 518 Ca 0.07 -0.65 -0.31 0.00 -0.03 0.00 0.00 54.58 53.66 2cwu n ASN 518 Cb 0.33 -4.49 0.02 0.00 -0.61 0.00 0.00 39.78 35.03 2cwu n ASN 518 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2cwu s GLN 519 N -6.46 3.47 0.57 3.52 -1.52 -1.26 -4.98 119.66 113.00 2cwu s GLN 519 Ca 0.62 0.74 -0.21 0.00 -1.95 0.00 0.00 55.36 54.57 2cwu s GLN 519 Cb -0.29 -2.07 -0.04 0.00 -0.22 0.00 0.00 33.01 30.39 2cwu s GLN 519 CO 0.78 -0.66 1.29 -2.30 -0.25 0.00 0.00 175.29 174.15 2cwu n PRO 520 N -2.81 1.46 -0.52 2.91 -0.02 -1.26 -4.84 135.00 129.92 2cwu n PRO 520 Ca 0.06 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2cwu n PRO 520 Cb 0.54 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 2cwu n PRO 520 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2cwu n THR 521 N -1.30 0.00 -1.67 3.45 -2.24 -1.26 -4.61 114.28 106.66 2cwu n THR 521 Ca 0.12 0.00 -0.52 0.00 -2.27 0.00 0.00 64.05 61.38 2cwu n THR 521 Cb 0.45 -1.26 -0.06 0.00 -2.10 0.00 0.00 70.33 67.37 2cwu n THR 521 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2cwu n LEU 522 N 0.00 2.63 0.12 3.22 7.94 0.47 -4.88 117.00 126.50 2cwu n LEU 522 Ca 0.00 1.06 0.10 0.00 -1.11 0.00 0.00 56.01 56.06 2cwu n LEU 522 Cb 0.00 -1.26 0.02 0.00 0.53 0.00 0.00 43.42 42.70 2cwu n LEU 522 CO 0.00 -0.44 0.12 -0.07 -1.11 0.00 0.00 177.39 175.89 2cwu h LEU 523 N 6.95 0.00 -9.72 -1.96 3.38 -1.93 -3.46 115.31 108.56 2cwu h LEU 523 Ca -0.47 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.94 2cwu h LEU 523 Cb 1.30 0.00 0.18 0.00 0.09 0.00 0.00 40.66 42.23 2cwu h LEU 523 CO 0.90 0.07 -0.22 0.00 0.09 0.00 0.00 178.44 179.28 2cwu n ALA 524 N -2.19 -0.96 -1.73 1.53 0.00 -1.26 -4.89 120.51 111.00 2cwu n ALA 524 Ca -0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 2cwu n ALA 524 Cb 0.58 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2cwu n ALA 524 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2cwu n ASP 525 N -0.54 3.17 0.27 0.00 -0.08 -1.26 -4.85 116.55 113.27 2cwu n ASP 525 Ca 0.11 1.19 0.18 0.00 -1.51 0.00 0.00 54.79 54.77 2cwu n ASP 525 Cb 0.49 -1.55 0.91 0.00 2.34 0.00 0.00 41.12 43.31 2cwu n ASP 525 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2cwu h PRO 526 N 2.59 0.00 -0.21 -0.67 0.11 -1.97 -1.06 132.00 130.80 2cwu h PRO 526 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2cwu h PRO 526 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2cwu h PRO 526 CO 0.62 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.82 2cwu n GLY 527 N -1.27 0.92 3.81 -0.55 0.00 -1.26 -4.71 105.19 102.13 2cwu n GLY 527 Ca -0.00 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 2cwu n GLY 527 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cwu s SER 528 N -1.66 5.29 0.13 1.61 1.04 -0.40 -4.97 113.70 114.74 2cwu s SER 528 Ca 0.35 1.66 -0.17 0.00 0.48 0.00 0.00 55.95 58.26 2cwu s SER 528 Cb 0.20 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.80 2cwu s SER 528 CO 0.30 -1.50 1.70 -1.28 0.98 0.00 0.00 173.24 173.44 2cwu h SER 529 N -0.70 0.44 -0.71 7.02 0.87 -1.88 -2.77 113.55 115.82 2cwu h SER 529 Ca -0.44 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 2cwu h SER 529 Cb 1.21 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 63.03 2cwu h SER 529 CO 0.56 0.44 0.45 -0.29 -0.53 0.00 0.00 176.83 177.46 2cwu h ILE 530 N 0.41 1.19 0.00 2.23 6.09 -1.92 0.59 117.51 126.09 2cwu h ILE 530 Ca 0.12 -0.40 -0.04 0.00 -1.37 0.00 0.00 64.86 63.17 2cwu h ILE 530 Cb 0.12 0.17 -0.01 0.00 0.47 0.00 0.00 36.82 37.57 2cwu h ILE 530 CO -0.01 0.20 -0.17 0.00 -3.07 0.00 0.00 178.15 175.09 2cwu h ALA 531 N 1.52 1.55 0.16 0.18 0.00 -1.74 0.34 119.26 121.26 2cwu h ALA 531 Ca 0.26 -0.16 -0.27 0.00 0.00 0.00 0.00 54.91 54.74 2cwu h ALA 531 Cb -0.07 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.71 2cwu h ALA 531 CO -0.05 0.22 -1.26 0.00 0.00 0.00 0.00 179.25 178.15 2cwu h ARG 532 N 0.00 0.33 0.00 0.00 3.08 -0.92 -2.73 114.38 114.15 2cwu h ARG 532 Ca -0.00 -0.57 -0.14 0.00 0.07 0.00 0.00 59.98 59.34 2cwu h ARG 532 Cb 0.34 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 2cwu h ARG 532 CO 0.02 1.27 -0.64 0.00 -1.07 0.00 0.00 179.97 179.55 2cwu h ARG 533 N -0.20 0.00 -1.03 0.04 3.08 -0.75 -1.21 114.38 114.31 2cwu h ARG 533 Ca -0.25 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.24 2cwu h ARG 533 Cb 1.83 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 31.46 2cwu h ARG 533 CO 0.14 0.64 -0.74 0.00 -1.07 0.00 0.00 179.97 178.95 2cwu n ALA 534 N -2.33 5.08 -0.17 0.04 0.00 0.12 -4.80 120.51 118.44 2cwu n ALA 534 Ca 0.00 -3.97 0.19 0.00 0.00 0.00 0.00 53.44 49.66 2cwu n ALA 534 Cb 0.71 -0.44 0.56 0.00 0.00 0.00 0.00 19.45 20.28 2cwu n ALA 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cwu h ALA 535 N 2.32 2.29 -0.71 0.00 0.00 -1.54 -0.51 119.26 121.12 2cwu h ALA 535 Ca 0.35 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.38 2cwu h ALA 535 Cb 1.30 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 2cwu h ALA 535 CO 0.81 -0.52 0.47 0.27 0.00 0.00 0.00 179.25 180.28 2cwu h PHE 536 N 0.31 0.53 0.00 0.00 -0.00 -1.87 -1.21 116.94 114.69 2cwu h PHE 536 Ca 0.40 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 58.38 2cwu h PHE 536 Cb 1.09 -0.17 0.00 0.00 -0.00 0.00 0.00 35.95 36.87 2cwu h PHE 536 CO -0.00 0.23 0.00 0.00 -0.00 0.00 0.00 178.31 178.54 2cwu n ALA 537 N -2.51 2.02 0.80 12.09 0.00 -0.20 -3.04 120.51 129.68 2cwu n ALA 537 Ca 0.13 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.60 2cwu n ALA 537 Cb 0.44 -1.32 0.28 0.00 0.00 0.00 0.00 19.45 18.85 2cwu n ALA 537 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2cwu n THR 538 N -1.30 0.19 -4.16 0.00 -2.24 -0.46 -0.40 114.28 105.90 2cwu n THR 538 Ca 0.09 -0.13 -0.16 0.00 -2.27 0.00 0.00 64.05 61.58 2cwu n THR 538 Cb 0.16 -0.06 -0.12 0.00 -2.10 0.00 0.00 70.33 68.20 2cwu n THR 538 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2cwu s LYS 539 N -3.08 0.66 0.22 -0.78 -0.14 -1.17 -4.74 119.74 110.71 2cwu s LYS 539 Ca 0.09 -0.70 0.03 0.00 -1.36 0.00 0.00 55.97 54.04 2cwu s LYS 539 Cb 0.16 -0.55 0.19 0.00 -1.68 0.00 0.00 37.83 35.94 2cwu s LYS 539 CO 0.68 0.13 1.52 -0.44 -0.76 0.00 0.00 175.35 176.47 2cwu h ASP 540 N 4.80 0.29 -3.45 2.83 5.19 -1.72 -3.39 116.42 120.97 2cwu h ASP 540 Ca -0.36 -0.18 -0.17 0.00 -0.62 0.00 0.00 57.03 55.70 2cwu h ASP 540 Cb 1.19 -0.09 -0.28 0.00 0.18 0.00 0.00 39.33 40.34 2cwu h ASP 540 CO 0.43 0.87 -0.43 -0.22 -3.12 0.00 0.00 179.24 176.76 2cwu s LEU 541 N -7.86 0.46 0.06 1.55 0.20 -0.66 -0.94 118.68 111.50 2cwu s LEU 541 Ca -0.04 0.59 0.07 0.00 0.69 0.00 0.00 54.13 55.44 2cwu s LEU 541 Cb 0.12 0.89 -0.03 0.00 -0.43 0.00 0.00 46.19 46.73 2cwu s LEU 541 CO 0.81 -0.15 -0.20 0.26 -0.29 0.00 0.00 176.35 176.78 2cwu s TRP 542 N 1.01 1.71 -0.08 5.38 0.52 -0.49 -0.05 118.94 126.94 2cwu s TRP 542 Ca -0.07 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.67 2cwu s TRP 542 Cb -0.08 -0.99 0.02 0.00 -1.15 0.00 0.00 33.47 31.27 2cwu s TRP 542 CO -0.07 0.12 -0.08 0.08 0.02 0.00 0.00 176.95 177.03 2cwu s VAL 543 N -0.95 0.89 0.28 4.03 1.01 -0.80 -0.72 120.40 124.13 2cwu s VAL 543 Ca 0.06 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.85 2cwu s VAL 543 Cb -0.09 -0.89 -0.06 0.00 0.00 0.00 0.00 36.38 35.35 2cwu s VAL 543 CO 0.03 0.32 -0.10 0.42 0.00 0.00 0.00 175.10 175.77 2cwu s THR 544 N 1.25 1.88 0.08 3.92 -4.23 -0.38 -4.70 115.64 113.46 2cwu s THR 544 Ca -0.04 -2.19 -0.27 0.00 -1.18 0.00 0.00 61.69 58.00 2cwu s THR 544 Cb -0.14 -2.39 -0.06 0.00 1.34 0.00 0.00 72.50 71.25 2cwu s THR 544 CO -0.02 -0.35 0.86 -0.60 -0.54 0.00 0.00 174.62 173.96 2cwu s ARG 545 N -3.66 4.59 0.39 3.99 6.06 -1.26 -0.86 118.95 128.20 2cwu s ARG 545 Ca 0.29 1.25 -0.27 0.00 -2.50 0.00 0.00 55.73 54.50 2cwu s ARG 545 Cb 0.02 -3.36 -0.11 0.00 0.06 0.00 0.00 34.95 31.55 2cwu s ARG 545 CO 0.12 0.27 1.37 0.98 -2.50 0.00 0.00 175.30 175.54 2cwu n TYR 546 N 2.73 2.54 -3.68 5.12 4.19 0.44 -4.81 117.16 123.69 2cwu n TYR 546 Ca -0.00 0.49 -0.11 0.00 3.31 0.00 0.00 57.90 61.59 2cwu n TYR 546 Cb 0.50 -2.45 -0.09 0.00 0.49 0.00 0.00 39.34 37.79 2cwu n TYR 546 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2cwu s ALA 547 N -1.14 -1.35 0.29 2.98 0.00 -1.26 -5.01 121.76 116.26 2cwu s ALA 547 Ca 0.57 1.73 0.03 0.00 0.00 0.00 0.00 51.96 54.29 2cwu s ALA 547 Cb -0.51 -1.02 0.71 0.00 0.00 0.00 0.00 23.12 22.30 2cwu s ALA 547 CO 0.61 -0.29 1.71 -0.44 0.00 0.00 0.00 175.76 177.35 2cwu h ASP 548 N 6.34 0.39 -0.08 0.00 3.45 -2.04 -2.37 116.42 122.11 2cwu h ASP 548 Ca -0.31 0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.29 2cwu h ASP 548 Cb 1.19 0.11 0.00 0.00 -0.56 0.00 0.00 39.33 40.06 2cwu h ASP 548 CO 0.21 0.04 0.00 -0.90 -1.57 0.00 0.00 179.24 177.02 2cwu n ASP 549 N -5.00 1.67 -4.35 6.45 5.75 -1.26 -4.61 116.55 115.20 2cwu n ASP 549 Ca 0.22 -1.61 -0.46 0.00 -0.01 0.00 0.00 54.79 52.93 2cwu n ASP 549 Cb 0.63 -0.05 -0.01 0.00 -1.03 0.00 0.00 41.12 40.66 2cwu n ASP 549 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2cwu s GLU 550 N -1.90 3.94 -0.24 0.11 2.02 -0.89 -4.81 118.70 116.93 2cwu s GLU 550 Ca 0.35 -2.83 -0.02 0.00 0.02 0.00 0.00 54.97 52.50 2cwu s GLU 550 Cb 0.20 -4.55 -0.18 0.00 0.10 0.00 0.00 34.13 29.70 2cwu s GLU 550 CO 0.31 -1.31 -0.14 0.54 0.02 0.00 0.00 175.26 174.68 2cwu n ARG 551 N 3.51 0.66 -4.81 1.61 1.74 -1.26 -4.81 116.66 113.30 2cwu n ARG 551 Ca 0.21 0.19 -0.29 0.00 -0.77 0.00 0.00 57.85 57.18 2cwu n ARG 551 Cb 0.43 -1.55 -0.14 0.00 -1.02 0.00 0.00 32.46 30.17 2cwu n ARG 551 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2cwu s TYR 552 N -2.52 2.21 -0.87 -1.55 2.02 -1.26 -4.93 117.35 110.44 2cwu s TYR 552 Ca -0.33 -0.40 0.11 0.00 -0.37 0.00 0.00 57.07 56.07 2cwu s TYR 552 Cb 0.09 -1.31 0.48 0.00 -0.40 0.00 0.00 41.96 40.82 2cwu s TYR 552 CO 0.62 0.14 1.34 -0.35 -1.57 0.00 0.00 175.55 175.72 2cwu n PRO 553 N 1.72 0.03 -0.02 -1.71 -0.04 -1.26 -2.06 135.00 131.66 2cwu n PRO 553 Ca -0.17 0.39 0.02 0.00 -0.04 0.00 0.00 63.50 63.70 2cwu n PRO 553 Cb 0.52 -1.58 0.03 0.00 -0.04 0.00 0.00 33.50 32.43 2cwu n PRO 553 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2cwu n THR 554 N -1.65 0.41 0.00 0.52 -2.24 -1.26 -1.55 114.28 108.51 2cwu n THR 554 Ca 0.02 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 2cwu n THR 554 Cb 0.10 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 2cwu n THR 554 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cwu n GLY 555 N 0.03 -0.07 0.15 3.38 0.00 -0.87 -4.16 105.19 103.65 2cwu n GLY 555 Ca 0.03 -1.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 2cwu n GLY 555 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2cwu h ASP 556 N 0.00 0.54 -3.37 1.61 3.32 -1.92 -3.40 116.42 113.20 2cwu h ASP 556 Ca 0.00 -0.45 -0.62 0.00 0.02 0.00 0.00 57.03 55.98 2cwu h ASP 556 Cb 0.00 -0.17 -0.42 0.00 0.22 0.00 0.00 39.33 38.97 2cwu h ASP 556 CO 0.00 1.25 -0.60 -0.36 -1.72 0.00 0.00 179.24 177.81 2cwu s PHE 557 N -3.21 3.39 0.15 4.55 0.08 -1.26 -4.95 117.98 116.72 2cwu s PHE 557 Ca -0.06 -3.26 -0.12 0.00 0.12 0.00 0.00 56.93 53.60 2cwu s PHE 557 Cb 0.09 -2.67 0.02 0.00 -0.57 0.00 0.00 43.02 39.89 2cwu s PHE 557 CO 0.87 -0.60 1.62 0.28 -0.10 0.00 0.00 175.22 177.29 2cwu h VAL 558 N 4.66 1.26 -1.67 -0.44 2.07 -1.77 -3.39 116.25 116.96 2cwu h VAL 558 Ca 0.10 -1.02 -0.67 0.00 0.82 0.00 0.00 66.70 65.92 2cwu h VAL 558 Cb 0.79 0.93 0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2cwu h VAL 558 CO 0.70 0.36 1.09 -3.20 0.02 0.00 0.00 177.57 176.54 2cwu n ASN 559 N -4.35 2.81 -2.49 0.57 5.15 -1.26 -2.11 115.26 113.58 2cwu n ASN 559 Ca 0.01 0.90 -0.19 0.00 -0.60 0.00 0.00 54.58 54.70 2cwu n ASN 559 Cb 0.29 -1.27 -0.00 0.00 -0.53 0.00 0.00 39.78 38.27 2cwu n ASN 559 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2cwu n GLN 560 N 6.51 -2.18 -3.31 1.20 6.02 -1.26 -0.72 117.38 123.64 2cwu n GLN 560 Ca 0.28 0.87 -0.38 0.00 -0.01 0.00 0.00 57.00 57.75 2cwu n GLN 560 Cb 0.22 -5.54 -0.06 0.00 1.02 0.00 0.00 30.24 25.89 2cwu n GLN 560 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2cwu s HIS 561 N -2.93 3.78 0.61 1.08 2.46 -0.90 -4.63 115.29 114.77 2cwu s HIS 561 Ca 0.04 1.22 0.35 0.00 0.47 0.00 0.00 55.06 57.14 2cwu s HIS 561 Cb -0.02 -2.46 2.04 0.00 -0.13 0.00 0.00 32.58 32.01 2cwu s HIS 561 CO 0.05 0.59 2.29 0.66 -2.47 0.00 0.00 174.74 175.86 2cwu h SER 562 N 4.49 0.00 -4.73 9.88 4.64 -1.91 -3.43 113.55 122.49 2cwu h SER 562 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2cwu h SER 562 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2cwu h SER 562 CO 0.63 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 2cwu n GLY 563 N -1.19 3.12 2.48 -0.77 0.00 -1.26 -4.70 105.19 102.87 2cwu n GLY 563 Ca -0.03 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.04 2cwu n GLY 563 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cwu n GLY 564 N -1.27 2.47 3.75 -0.02 0.00 -0.46 -4.92 105.19 104.75 2cwu n GLY 564 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2cwu n GLY 564 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwu s ALA 565 N -2.73 1.95 0.00 4.61 0.00 -1.26 -3.23 121.76 121.10 2cwu s ALA 565 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2cwu s ALA 565 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2cwu s ALA 565 CO 0.00 -2.01 0.00 0.41 0.00 0.00 0.00 175.76 174.16 2cwu n GLY 566 N -1.24 0.37 0.30 0.00 0.00 -1.26 -4.35 105.19 99.00 2cwu n GLY 566 Ca 0.08 -1.05 0.06 0.00 0.00 0.00 0.00 46.02 45.12 2cwu n GLY 566 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2cwu h LEU 567 N 0.00 -0.47 -1.19 0.99 3.38 -1.49 -0.17 115.31 116.36 2cwu h LEU 567 Ca 0.00 0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.27 2cwu h LEU 567 Cb 0.00 0.41 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 2cwu h LEU 567 CO 0.00 -0.23 0.57 -0.65 0.09 0.00 0.00 178.44 178.22 2cwu h PRO 568 N 0.06 0.91 -0.07 1.13 0.11 -1.76 0.54 132.00 132.93 2cwu h PRO 568 Ca 0.44 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 66.28 2cwu h PRO 568 Cb 0.79 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 31.70 2cwu h PRO 568 CO -0.76 0.60 -0.86 0.77 -0.21 0.00 0.00 178.00 177.55 2cwu h SER 569 N 0.94 0.72 -0.08 -2.05 0.02 -1.05 -2.82 113.55 109.22 2cwu h SER 569 Ca 0.39 -0.52 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2cwu h SER 569 Cb 0.29 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 2cwu h SER 569 CO -0.15 1.30 0.02 1.88 -1.14 0.00 0.00 176.83 178.73 2cwu h TYR 570 N 0.37 0.14 -0.13 3.45 0.05 -0.44 -3.01 116.97 117.40 2cwu h TYR 570 Ca -0.07 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.71 2cwu h TYR 570 Cb 1.48 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 39.17 2cwu h TYR 570 CO 0.07 0.33 0.09 0.82 -1.05 0.00 0.00 178.16 178.42 2cwu h ILE 571 N -0.09 0.99 0.00 -2.88 1.08 -0.99 -2.18 117.51 113.44 2cwu h ILE 571 Ca 0.03 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2cwu h ILE 571 Cb 0.27 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 2cwu h ILE 571 CO 0.00 0.02 0.00 0.00 -0.69 0.00 0.00 178.15 177.48 2cwu h ALA 572 N 1.93 1.00 0.00 1.87 0.00 -1.35 -0.65 119.26 122.06 2cwu h ALA 572 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2cwu h ALA 572 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2cwu h ALA 572 CO -0.01 0.00 0.00 1.96 0.00 0.00 0.00 179.25 181.20 2cwu h GLN 573 N 0.00 0.00 -6.50 0.00 4.20 -1.51 -3.47 115.11 107.82 2cwu h GLN 573 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 2cwu h GLN 573 Cb 0.05 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 2cwu h GLN 573 CO 0.00 0.00 -0.90 -3.47 -0.67 0.00 0.00 178.83 173.79 2cwu n ASP 574 N -2.59 -1.08 -4.89 1.46 4.64 -0.25 -4.95 116.55 108.89 2cwu n ASP 574 Ca 0.03 -1.03 -0.29 0.00 -1.38 0.00 0.00 54.79 52.11 2cwu n ASP 574 Cb 0.36 -2.97 -0.00 0.00 -1.04 0.00 0.00 41.12 37.47 2cwu n ASP 574 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 2cwu s ARG 575 N -6.55 3.61 0.04 -0.67 0.52 -1.26 -4.57 118.95 110.06 2cwu s ARG 575 Ca 0.09 0.49 -0.30 0.00 -0.52 0.00 0.00 55.73 55.48 2cwu s ARG 575 Cb -0.03 -2.24 -0.06 0.00 0.52 0.00 0.00 34.95 33.14 2cwu s ARG 575 CO 0.89 -0.35 1.33 0.34 0.02 0.00 0.00 175.30 177.54 2cwu s ASP 576 N -4.01 6.92 -0.05 0.23 2.15 -1.26 -1.63 116.67 119.02 2cwu s ASP 576 Ca 0.51 2.11 0.07 0.00 0.43 0.00 0.00 52.55 55.67 2cwu s ASP 576 Cb -0.11 -2.57 0.10 0.00 -0.30 0.00 0.00 42.92 40.05 2cwu s ASP 576 CO 0.47 -0.63 0.98 2.30 -0.17 0.00 0.00 175.17 178.12 2cwu n ILE 577 N 4.32 1.04 -3.06 4.11 -5.35 -0.57 -4.83 119.36 115.02 2cwu n ILE 577 Ca 0.12 -1.17 -0.45 0.00 -0.27 0.00 0.00 62.75 60.97 2cwu n ILE 577 Cb 0.44 0.31 -0.03 0.00 -1.74 0.00 0.00 39.64 38.63 2cwu n ILE 577 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2cwu s ASP 578 N -1.52 6.60 0.00 7.28 -1.08 -1.22 -4.16 116.67 122.58 2cwu s ASP 578 Ca 0.11 -2.12 0.00 0.00 -0.52 0.00 0.00 52.55 50.02 2cwu s ASP 578 Cb 0.10 -2.34 0.00 0.00 -1.46 0.00 0.00 42.92 39.22 2cwu s ASP 578 CO 0.01 -0.94 0.00 0.61 0.52 0.00 0.00 175.17 175.37 2cwu n GLY 579 N 5.03 0.59 3.32 2.66 0.00 -0.08 -4.99 105.19 111.72 2cwu n GLY 579 Ca 0.16 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 2cwu n GLY 579 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cwu s GLN 580 N -3.38 1.72 -0.53 1.61 -1.52 -0.17 -4.59 119.66 112.79 2cwu s GLN 580 Ca 0.00 -1.90 -0.28 0.00 -1.95 0.00 0.00 55.36 51.23 2cwu s GLN 580 Cb 0.00 0.35 0.01 0.00 -0.22 0.00 0.00 33.01 33.15 2cwu s GLN 580 CO 0.00 -0.65 1.39 0.34 -0.25 0.00 0.00 175.29 176.12 2cwu s ASP 581 N -3.31 6.19 0.31 5.90 -1.08 -1.15 -1.24 116.67 122.28 2cwu s ASP 581 Ca 0.38 0.37 0.09 0.00 -0.52 0.00 0.00 52.55 52.87 2cwu s ASP 581 Cb 0.02 -2.55 -0.06 0.00 -1.46 0.00 0.00 42.92 38.88 2cwu s ASP 581 CO 0.24 -1.64 -0.09 0.27 0.52 0.00 0.00 175.17 174.47 2cwu s ILE 582 N 5.85 2.02 -0.06 4.11 -4.36 -1.26 -0.42 121.20 127.09 2cwu s ILE 582 Ca 0.53 -2.20 0.02 0.00 -0.26 0.00 0.00 60.65 58.75 2cwu s ILE 582 Cb -0.11 -2.51 0.01 0.00 1.25 0.00 0.00 42.46 41.10 2cwu s ILE 582 CO 0.27 -0.27 -0.12 -0.69 0.24 0.00 0.00 174.94 174.37 2cwu s VAL 583 N -2.76 1.07 -0.17 8.37 1.01 -0.04 -2.53 120.40 125.35 2cwu s VAL 583 Ca 0.31 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 2cwu s VAL 583 Cb 0.02 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2cwu s VAL 583 CO 0.14 0.34 0.09 -0.69 0.00 0.00 0.00 175.10 174.98 2cwu s VAL 584 N 0.65 5.04 -0.27 2.92 1.01 0.15 -1.25 120.40 128.66 2cwu s VAL 584 Ca -0.14 0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2cwu s VAL 584 Cb -0.15 -3.26 0.06 0.00 0.00 0.00 0.00 36.38 33.03 2cwu s VAL 584 CO 0.03 0.49 -0.09 0.26 0.00 0.00 0.00 175.10 175.80 2cwu s TRP 585 N 0.05 3.29 -0.22 5.22 0.52 0.10 0.24 118.94 128.13 2cwu s TRP 585 Ca 0.07 -2.29 -0.07 0.00 0.02 0.00 0.00 56.10 53.83 2cwu s TRP 585 Cb -0.12 -2.00 -0.04 0.00 -1.15 0.00 0.00 33.47 30.17 2cwu s TRP 585 CO 0.00 -0.87 0.07 -1.58 0.02 0.00 0.00 176.95 174.59 2cwu s HIS 586 N 1.12 3.15 -0.13 -1.98 2.46 -0.20 -1.39 115.29 118.32 2cwu s HIS 586 Ca -0.08 -0.18 -0.15 0.00 0.47 0.00 0.00 55.06 55.12 2cwu s HIS 586 Cb -0.20 -2.18 -0.05 0.00 -0.13 0.00 0.00 32.58 30.03 2cwu s HIS 586 CO -0.05 -0.13 0.37 0.99 -2.47 0.00 0.00 174.74 173.45 2cwu s THR 587 N 1.09 5.24 -0.13 0.89 2.01 -0.11 -0.87 115.64 123.76 2cwu s THR 587 Ca 0.04 0.72 -0.20 0.00 0.31 0.00 0.00 61.69 62.57 2cwu s THR 587 Cb -0.14 -3.71 0.05 0.00 0.01 0.00 0.00 72.50 68.71 2cwu s THR 587 CO 0.03 0.39 0.50 0.72 -0.69 0.00 0.00 174.62 175.57 2cwu s PHE 588 N 0.35 -0.50 0.21 4.92 -0.71 -0.68 -4.70 117.98 116.87 2cwu s PHE 588 Ca 0.21 1.10 -0.21 0.00 -1.04 0.00 0.00 56.93 56.98 2cwu s PHE 588 Cb -0.14 0.21 0.07 0.00 -1.21 0.00 0.00 43.02 41.96 2cwu s PHE 588 CO 0.07 -0.36 1.01 0.20 -1.34 0.00 0.00 175.22 174.81 2cwu s GLY 589 N -0.33 0.18 -0.06 1.99 0.00 -1.26 0.04 107.32 107.88 2cwu s GLY 589 Ca -0.05 -0.44 0.02 0.00 0.00 0.00 0.00 44.72 44.26 2cwu s GLY 589 CO 0.03 2.33 -0.11 1.08 0.00 0.00 0.00 173.10 176.44 2cwu s LEU 590 N -3.41 2.94 -0.27 0.66 1.43 -0.17 -4.68 118.68 115.18 2cwu s LEU 590 Ca 0.22 -0.12 -0.07 0.00 -1.03 0.00 0.00 54.13 53.13 2cwu s LEU 590 Cb -0.03 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 2cwu s LEU 590 CO 0.06 0.35 0.08 -0.89 0.23 0.00 0.00 176.35 176.19 2cwu s THR 591 N -0.77 4.20 -0.29 5.49 2.01 -1.26 -1.05 115.64 123.97 2cwu s THR 591 Ca 0.12 -0.41 -0.07 0.00 0.31 0.00 0.00 61.69 61.64 2cwu s THR 591 Cb -0.11 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.34 2cwu s THR 591 CO 0.01 0.20 0.07 -2.28 -0.69 0.00 0.00 174.62 171.94 2cwu s HIS 592 N 1.57 3.13 -0.59 4.92 2.46 0.60 -5.00 115.29 122.37 2cwu s HIS 592 Ca 0.05 -0.93 -0.03 0.00 0.47 0.00 0.00 55.06 54.62 2cwu s HIS 592 Cb -0.16 -2.24 0.15 0.00 -0.13 0.00 0.00 32.58 30.20 2cwu s HIS 592 CO 0.03 -0.55 0.41 -0.06 -2.47 0.00 0.00 174.74 172.09 2cwu s PHE 593 N 1.51 3.43 0.23 3.88 0.08 -1.26 -2.44 117.98 123.40 2cwu s PHE 593 Ca 0.03 -2.69 -0.29 0.00 0.12 0.00 0.00 56.93 54.10 2cwu s PHE 593 Cb -0.17 -3.20 -0.16 0.00 -0.57 0.00 0.00 43.02 38.93 2cwu s PHE 593 CO 0.02 -0.86 0.87 -2.30 -0.10 0.00 0.00 175.22 172.86 2cwu n PRO 594 N 3.63 0.81 -3.94 0.24 -0.02 -1.26 -5.01 135.00 129.45 2cwu n PRO 594 Ca 0.06 0.28 -0.22 0.00 -2.02 0.00 0.00 63.50 61.61 2cwu n PRO 594 Cb 0.38 -1.56 -0.04 0.00 -0.02 0.00 0.00 33.50 32.26 2cwu n PRO 594 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2cwu s ARG 595 N -1.10 2.76 0.39 -0.52 0.52 -1.26 -4.79 118.95 114.94 2cwu s ARG 595 Ca 0.64 -1.23 0.06 0.00 -0.52 0.00 0.00 55.73 54.68 2cwu s ARG 595 Cb -0.83 -2.48 0.79 0.00 0.52 0.00 0.00 34.95 32.95 2cwu s ARG 595 CO 0.57 0.20 2.03 0.28 0.02 0.00 0.00 175.30 178.40 2cwu h VAL 596 N 1.36 1.10 0.00 3.52 2.07 -1.88 -0.23 116.25 122.20 2cwu h VAL 596 Ca -0.46 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2cwu h VAL 596 Cb 1.25 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2cwu h VAL 596 CO 0.59 0.12 0.00 -0.33 0.02 0.00 0.00 177.57 177.97 2cwu h GLU 597 N 0.66 0.00 -0.00 1.57 3.07 -1.94 -1.33 114.58 116.61 2cwu h GLU 597 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 2cwu h GLU 597 Cb 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 2cwu h GLU 597 CO -0.05 0.00 -0.10 -0.25 -1.40 0.00 0.00 179.01 177.21 2cwu n ASP 598 N -2.34 0.21 -4.59 1.42 8.00 -0.10 -4.54 116.55 114.62 2cwu n ASP 598 Ca -0.01 -0.08 -0.32 0.00 0.71 0.00 0.00 54.79 55.09 2cwu n ASP 598 Cb 0.09 -0.21 -0.10 0.00 -0.02 0.00 0.00 41.12 40.87 2cwu n ASP 598 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2cwu s TRP 599 N -2.74 2.89 -0.59 1.24 -0.11 -0.50 -2.10 118.94 117.02 2cwu s TRP 599 Ca 0.21 -0.04 0.25 0.00 1.22 0.00 0.00 56.10 57.75 2cwu s TRP 599 Cb 0.19 -1.62 0.71 0.00 -1.50 0.00 0.00 33.47 31.26 2cwu s TRP 599 CO 0.52 0.37 1.73 -1.00 -4.62 0.00 0.00 176.95 173.95 2cwu h PRO 600 N 4.59 0.00 -3.78 5.86 0.13 -1.88 -3.48 132.00 133.44 2cwu h PRO 600 Ca -0.48 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.33 2cwu h PRO 600 Cb 1.17 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.98 2cwu h PRO 600 CO 0.53 0.00 -0.74 -1.50 -0.23 0.00 0.00 178.00 176.06 2cwu s ILE 601 N -3.17 0.15 0.11 -3.56 2.07 -1.23 -4.75 121.20 110.81 2cwu s ILE 601 Ca 0.09 0.04 -0.24 0.00 -1.41 0.00 0.00 60.65 59.13 2cwu s ILE 601 Cb 0.10 -0.21 -0.07 0.00 0.13 0.00 0.00 42.46 42.41 2cwu s ILE 601 CO 0.60 0.11 0.72 0.00 -1.91 0.00 0.00 174.94 174.46 2cwu s MET 602 N 0.67 4.46 0.48 3.50 0.23 -0.38 -4.79 119.30 123.47 2cwu s MET 602 Ca -0.06 1.02 -0.22 0.00 -1.03 0.00 0.00 55.69 55.40 2cwu s MET 602 Cb -0.09 -3.29 -0.07 0.00 -1.53 0.00 0.00 34.83 29.85 2cwu s MET 602 CO -0.01 0.51 1.17 -2.14 -2.03 0.00 0.00 175.02 172.51 2cwu s PRO 603 N -0.83 3.66 0.34 3.16 0.02 -1.26 -4.17 135.00 135.92 2cwu s PRO 603 Ca 0.35 1.77 -0.29 0.00 0.02 0.00 0.00 61.00 62.85 2cwu s PRO 603 Cb -0.21 -2.34 -0.12 0.00 0.02 0.00 0.00 34.50 31.85 2cwu s PRO 603 CO 0.23 -0.63 1.48 0.28 -0.33 0.00 0.00 177.00 178.03 2cwu n VAL 604 N -0.64 1.66 -4.34 3.83 0.31 -1.26 -4.80 118.33 113.09 2cwu n VAL 604 Ca 0.08 -0.42 -0.23 0.00 -0.01 0.00 0.00 64.34 63.76 2cwu n VAL 604 Cb 0.48 -1.87 -0.12 0.00 -0.91 0.00 0.00 33.84 31.42 2cwu n VAL 604 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2cwu s ASP 605 N 0.04 2.79 0.15 4.52 2.15 -0.77 -4.95 116.67 120.60 2cwu s ASP 605 Ca 0.57 -0.82 0.05 0.00 0.43 0.00 0.00 52.55 52.78 2cwu s ASP 605 Cb -0.51 -0.17 -0.04 0.00 -0.30 0.00 0.00 42.92 41.90 2cwu s ASP 605 CO 0.58 0.02 -0.10 0.42 -0.17 0.00 0.00 175.17 175.92 2cwu s THR 606 N -1.77 1.19 0.02 1.71 -4.23 -1.26 -1.05 115.64 110.25 2cwu s THR 606 Ca 0.14 -2.07 -0.28 0.00 -1.18 0.00 0.00 61.69 58.31 2cwu s THR 606 Cb -0.07 -1.87 0.07 0.00 1.34 0.00 0.00 72.50 71.97 2cwu s THR 606 CO 0.07 -0.73 0.64 0.54 -0.54 0.00 0.00 174.62 174.59 2cwu s VAL 607 N -3.32 0.00 -0.07 2.29 0.11 -1.04 -5.00 120.40 113.37 2cwu s VAL 607 Ca 0.17 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 2cwu s VAL 607 Cb 0.03 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 2cwu s VAL 607 CO 0.01 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.37 2cwu n GLY 608 N 0.48 -0.80 3.73 6.54 0.00 -1.26 -0.65 105.19 113.23 2cwu n GLY 608 Ca -0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.54 2cwu n GLY 608 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2cwu s PHE 609 N -3.94 -0.11 0.13 1.61 -0.12 -0.97 -4.13 117.98 110.45 2cwu s PHE 609 Ca 0.00 -0.16 -0.14 0.00 -0.05 0.00 0.00 56.93 56.58 2cwu s PHE 609 Cb 0.00 0.62 0.02 0.00 -0.63 0.00 0.00 43.02 43.03 2cwu s PHE 609 CO 0.00 -0.71 0.35 -1.59 -0.05 0.00 0.00 175.22 173.22 2cwu s LYS 610 N -3.09 1.06 -0.07 1.99 -2.85 -1.04 -1.34 119.74 114.39 2cwu s LYS 610 Ca 0.13 -0.83 0.02 0.00 -1.00 0.00 0.00 55.97 54.29 2cwu s LYS 610 Cb -0.00 0.44 0.01 0.00 -2.06 0.00 0.00 37.83 36.22 2cwu s LYS 610 CO 0.01 -0.40 -0.12 -0.51 0.10 0.00 0.00 175.35 174.43 2cwu s LEU 611 N -2.84 1.59 0.05 2.77 1.02 0.10 -0.40 118.68 120.98 2cwu s LEU 611 Ca 0.05 -0.31 0.07 0.00 0.02 0.00 0.00 54.13 53.97 2cwu s LEU 611 Cb 0.02 -0.84 -0.03 0.00 0.02 0.00 0.00 46.19 45.36 2cwu s LEU 611 CO -0.10 0.01 -0.18 -0.13 0.02 0.00 0.00 176.35 175.98 2cwu s ARG 612 N 0.81 2.03 0.43 1.70 0.52 -0.20 -1.05 118.95 123.18 2cwu s ARG 612 Ca -0.12 -1.01 -0.26 0.00 -0.52 0.00 0.00 55.73 53.82 2cwu s ARG 612 Cb -0.15 -2.18 -0.09 0.00 0.52 0.00 0.00 34.95 33.04 2cwu s ARG 612 CO 0.02 0.53 1.43 -0.35 0.02 0.00 0.00 175.30 176.95 2cwu n PRO 613 N 1.40 2.34 -3.62 3.54 -0.04 -1.26 -0.06 135.00 137.30 2cwu n PRO 613 Ca -0.16 0.83 -0.29 0.00 -0.04 0.00 0.00 63.50 63.84 2cwu n PRO 613 Cb 0.52 -2.62 -0.12 0.00 -0.04 0.00 0.00 33.50 31.25 2cwu n PRO 613 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2cwu s GLU 614 N -2.32 1.23 -0.92 0.54 2.56 0.10 -4.73 118.70 115.16 2cwu s GLU 614 Ca 0.59 -2.10 0.00 0.00 0.00 0.00 0.00 54.97 53.46 2cwu s GLU 614 Cb -0.46 -2.08 0.00 0.00 2.00 0.00 0.00 34.13 33.59 2cwu s GLU 614 CO 0.59 -1.24 0.00 0.41 -0.56 0.00 0.00 175.26 174.46 2cwu n GLY 615 N 3.24 0.70 0.15 -1.50 0.00 -1.26 -2.43 105.19 104.09 2cwu n GLY 615 Ca 0.16 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 2cwu n GLY 615 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2cwu h PHE 616 N 0.00 0.74 -2.05 1.61 3.57 -1.86 -3.36 116.94 115.60 2cwu h PHE 616 Ca -0.20 -0.46 -0.44 0.00 3.53 0.00 0.00 57.97 60.40 2cwu h PHE 616 Cb 0.80 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 39.49 2cwu h PHE 616 CO 0.26 1.30 -0.26 -0.06 -2.23 0.00 0.00 178.31 177.32 2cwu s PHE 617 N -2.96 3.10 -1.65 0.41 0.40 -1.26 -4.87 117.98 111.15 2cwu s PHE 617 Ca -0.12 -0.11 0.28 0.00 -0.60 0.00 0.00 56.93 56.38 2cwu s PHE 617 Cb 0.04 -2.15 1.08 0.00 0.51 0.00 0.00 43.02 42.50 2cwu s PHE 617 CO 0.86 -0.18 1.77 -0.25 0.70 0.00 0.00 175.22 178.12 2cwu n ASP 618 N -1.81 0.61 -3.91 1.36 8.00 -1.26 -4.89 116.55 114.66 2cwu n ASP 618 Ca 0.01 -0.63 0.04 0.00 0.71 0.00 0.00 54.79 54.92 2cwu n ASP 618 Cb 0.58 -0.02 0.01 0.00 -0.02 0.00 0.00 41.12 41.67 2cwu n ASP 618 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2cwu n ARG 619 N -0.89 0.04 -1.65 -1.24 1.85 -1.26 -4.94 116.66 108.57 2cwu n ARG 619 Ca 0.13 -0.55 -0.47 0.00 -1.00 0.00 0.00 57.85 55.96 2cwu n ARG 619 Cb 0.30 1.04 -0.04 0.00 -1.05 0.00 0.00 32.46 32.70 2cwu n ARG 619 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2cwu n SER 620 N -0.99 2.63 -0.34 2.89 2.88 -1.26 -4.85 113.62 114.58 2cwu n SER 620 Ca 0.06 1.10 0.09 0.00 -1.33 0.00 0.00 58.87 58.80 2cwu n SER 620 Cb 0.56 -1.36 0.42 0.00 -0.75 0.00 0.00 64.21 63.08 2cwu n SER 620 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2cwu n PRO 621 N 2.91 1.44 -0.54 -1.46 -0.04 -1.26 -3.96 135.00 132.08 2cwu n PRO 621 Ca 0.16 -0.66 0.04 0.00 -0.04 0.00 0.00 63.50 63.00 2cwu n PRO 621 Cb 0.27 -1.34 0.20 0.00 -0.04 0.00 0.00 33.50 32.59 2cwu n PRO 621 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2cwu n VAL 622 N -0.10 2.26 0.42 0.52 0.24 -1.26 -4.62 118.33 115.78 2cwu n VAL 622 Ca 0.15 -2.78 0.13 0.00 -2.04 0.00 0.00 64.34 59.79 2cwu n VAL 622 Cb 0.22 -0.27 0.43 0.00 -1.47 0.00 0.00 33.84 32.75 2cwu n VAL 622 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2cwu h LEU 623 N 0.88 0.00 -2.16 1.34 3.38 -1.98 -3.08 115.31 113.69 2cwu h LEU 623 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2cwu h LEU 623 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2cwu h LEU 623 CO 0.13 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 177.76 2cwu n ASP 624 N -2.57 3.20 -4.72 -0.43 5.75 -1.26 -4.90 116.55 111.63 2cwu n ASP 624 Ca 0.03 -2.13 -0.41 0.00 -0.01 0.00 0.00 54.79 52.27 2cwu n ASP 624 Cb 0.38 -0.42 -0.04 0.00 -1.03 0.00 0.00 41.12 40.01 2cwu n ASP 624 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2cwu s VAL 625 N -1.47 4.75 0.77 2.12 1.01 -1.17 -5.04 120.40 121.37 2cwu s VAL 625 Ca 0.37 2.02 -0.12 0.00 0.00 0.00 0.00 61.98 64.25 2cwu s VAL 625 Cb 0.21 -4.30 0.05 0.00 0.00 0.00 0.00 36.38 32.34 2cwu s VAL 625 CO 0.22 0.23 1.11 -2.16 0.00 0.00 0.00 175.10 174.50 2cwu s PRO 626 N 0.61 2.30 0.23 2.72 0.04 -1.26 -4.99 135.00 134.64 2cwu s PRO 626 Ca 0.49 0.46 0.10 0.00 0.04 0.00 0.00 61.00 62.09 2cwu s PRO 626 Cb -0.22 -1.96 0.19 0.00 0.04 0.00 0.00 34.50 32.55 2cwu s PRO 626 CO 0.28 -1.43 1.51 0.00 0.04 0.00 0.00 177.00 177.40 2cwu h ALA 627 N -0.94 0.78 0.00 8.56 0.00 -1.96 -3.45 119.26 122.24 2cwu h ALA 627 Ca -0.46 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.79 2cwu h ALA 627 Cb 1.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2cwu h ALA 627 CO 0.62 0.91 0.00 0.09 0.00 0.00 0.00 179.25 180.87