#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kom s SER 4 N 0.00 6.77 -0.28 -1.43 0.15 -1.26 -5.02 113.70 112.63 3kom s SER 4 Ca 0.00 2.19 -0.17 0.00 0.70 0.00 0.00 55.95 58.67 3kom s SER 4 Cb 0.00 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.68 3kom s SER 4 CO 0.00 -0.49 0.47 -0.63 1.20 0.00 0.00 173.24 173.79 3kom s ILE 5 N -1.47 5.09 0.39 6.45 1.01 -1.26 -5.07 121.20 126.34 3kom s ILE 5 Ca 0.55 0.72 -0.24 0.00 0.00 0.00 0.00 60.65 61.67 3kom s ILE 5 Cb -0.27 -3.81 -0.09 0.00 0.01 0.00 0.00 42.46 38.30 3kom s ILE 5 CO 0.34 0.06 1.05 -2.16 0.00 0.00 0.00 174.94 174.23 3kom s PRO 6 N 2.25 4.21 0.57 2.79 0.04 -1.26 -4.93 135.00 138.68 3kom s PRO 6 Ca 0.19 1.52 0.29 0.00 0.04 0.00 0.00 61.00 63.05 3kom s PRO 6 Cb -0.16 -2.59 1.73 0.00 0.04 0.00 0.00 34.50 33.52 3kom s PRO 6 CO 0.10 -0.10 2.21 -0.09 0.04 0.00 0.00 177.00 179.15 3kom h ARG 7 N 2.61 0.00 -0.87 4.56 2.43 -2.00 -1.81 114.38 119.30 3kom h ARG 7 Ca -0.48 0.00 0.23 0.00 -0.81 0.00 0.00 59.98 58.92 3kom h ARG 7 Cb 1.21 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.61 3kom h ARG 7 CO 0.63 0.03 0.10 1.49 -1.51 0.00 0.00 179.97 180.71 3kom h GLU 8 N 0.00 0.11 -0.38 0.20 4.57 -1.92 0.14 114.58 117.31 3kom h GLU 8 Ca -0.00 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 3kom h GLU 8 Cb 0.09 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 3kom h GLU 8 CO 0.00 0.07 -0.13 0.74 -1.18 0.00 0.00 179.01 178.51 3kom h PHE 9 N 0.11 0.74 0.00 0.92 0.04 -1.72 -2.55 116.94 114.49 3kom h PHE 9 Ca 0.52 -0.13 -0.16 0.00 2.80 0.00 0.00 57.97 61.01 3kom h PHE 9 Cb 1.04 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.97 3kom h PHE 9 CO -0.39 0.78 -0.74 1.03 -0.60 0.00 0.00 178.31 178.39 3kom h SER 10 N 0.61 0.00 0.72 2.17 0.87 -1.37 -3.22 113.55 113.33 3kom h SER 10 Ca 0.10 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3kom h SER 10 Cb 0.58 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 3kom h SER 10 CO 0.04 0.74 -0.04 0.78 -0.53 0.00 0.00 176.83 177.81 3kom h ASN 11 N 0.00 0.00 -0.80 6.23 -0.26 -0.35 -1.61 115.58 118.80 3kom h ASN 11 Ca -0.01 0.00 0.08 0.00 -0.56 0.00 0.00 56.30 55.81 3kom h ASN 11 Cb 1.47 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 38.66 3kom h ASN 11 CO 0.10 0.04 0.47 0.00 -1.06 0.00 0.00 177.43 176.98 3kom h ALA 12 N 1.96 1.12 -0.30 -0.83 0.00 -1.53 0.48 119.26 120.15 3kom h ALA 12 Ca -0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kom h ALA 12 Cb 0.42 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kom h ALA 12 CO 0.01 0.14 0.18 0.82 0.00 0.00 0.00 179.25 180.39 3kom h ILE 13 N 0.82 1.11 -0.20 0.00 2.04 -1.48 -1.76 117.51 118.05 3kom h ILE 13 Ca 0.37 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.97 3kom h ILE 13 Cb 0.27 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3kom h ILE 13 CO -0.21 0.11 0.06 0.03 0.00 0.00 0.00 178.15 178.14 3kom h ARG 14 N 0.38 0.15 -0.19 2.37 3.08 -1.25 -1.58 114.38 117.34 3kom h ARG 14 Ca 0.11 -0.01 -0.19 0.00 0.07 0.00 0.00 59.98 59.96 3kom h ARG 14 Cb 0.03 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3kom h ARG 14 CO -0.02 0.10 -0.64 0.74 -1.07 0.00 0.00 179.97 179.08 3kom h PHE 15 N 0.15 0.89 -0.90 3.04 0.04 -0.92 0.12 116.94 119.37 3kom h PHE 15 Ca 0.08 -0.35 0.02 0.00 2.80 0.00 0.00 57.97 60.52 3kom h PHE 15 Cb 0.06 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 38.01 3kom h PHE 15 CO -0.12 1.14 0.59 -0.07 -0.60 0.00 0.00 178.31 179.26 3kom h LEU 16 N 0.50 1.01 -0.17 1.54 3.38 -1.26 0.14 115.31 120.45 3kom h LEU 16 Ca -0.01 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3kom h LEU 16 Cb 1.23 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3kom h LEU 16 CO 0.13 0.72 -0.40 0.28 0.09 0.00 0.00 178.44 179.26 3kom h SER 17 N 1.18 0.64 0.15 -0.43 0.02 -1.05 -1.14 113.55 112.92 3kom h SER 17 Ca 0.34 -0.57 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 3kom h SER 17 Cb -0.08 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.27 3kom h SER 17 CO -0.08 1.10 -0.07 0.40 -1.14 0.00 0.00 176.83 177.03 3kom h ILE 18 N 0.22 0.92 -0.80 3.27 2.04 -0.78 -2.30 117.51 120.08 3kom h ILE 18 Ca -0.00 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3kom h ILE 18 Cb 1.01 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 3kom h ILE 18 CO 0.09 0.07 0.51 0.44 0.00 0.00 0.00 178.15 179.26 3kom h ASP 19 N -0.34 0.93 -0.48 1.72 3.32 -0.73 -1.61 116.42 119.24 3kom h ASP 19 Ca -0.02 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 3kom h ASP 19 Cb 0.27 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3kom h ASP 19 CO 0.03 0.69 0.01 0.00 -1.72 0.00 0.00 179.24 178.26 3kom h ALA 20 N 1.28 0.64 -0.15 3.45 0.00 -1.20 -2.15 119.26 121.13 3kom h ALA 20 Ca 0.29 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3kom h ALA 20 Cb -0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3kom h ALA 20 CO -0.06 0.43 -0.63 1.79 0.00 0.00 0.00 179.25 180.78 3kom h THR 21 N 0.69 1.34 -0.46 0.00 1.35 -1.17 -1.74 112.91 112.91 3kom h THR 21 Ca 0.14 -1.92 0.02 0.00 -0.55 0.00 0.00 66.41 64.09 3kom h THR 21 Cb 0.49 1.90 -0.03 0.00 -1.73 0.00 0.00 68.15 68.78 3kom h THR 21 CO 0.02 0.59 0.28 0.25 -0.25 0.00 0.00 175.52 176.41 3kom h LEU 22 N 0.39 0.45 -0.47 3.87 6.46 -1.26 -1.14 115.31 123.62 3kom h LEU 22 Ca -0.01 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.70 3kom h LEU 22 Cb 1.19 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 41.01 3kom h LEU 22 CO 0.12 0.32 0.09 0.50 -0.62 0.00 0.00 178.44 178.85 3kom h LYS 23 N 0.56 0.76 0.00 1.25 3.64 -1.21 -2.89 116.57 118.69 3kom h LYS 23 Ca 0.18 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3kom h LYS 23 Cb 0.00 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3kom h LYS 23 CO -0.08 0.76 -0.02 0.00 -2.27 0.00 0.00 179.45 177.85 3kom h ALA 24 N 0.96 1.00 -6.39 5.00 0.00 -1.17 -3.46 119.26 115.20 3kom h ALA 24 Ca 0.14 -0.02 -0.49 0.00 0.00 0.00 0.00 54.91 54.55 3kom h ALA 24 Cb 0.36 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 3kom h ALA 24 CO 0.01 0.02 -0.78 1.63 0.00 0.00 0.00 179.25 180.13 3kom n LYS 25 N -3.12 -4.99 -3.58 0.00 5.02 -0.45 -4.94 118.16 106.11 3kom n LYS 25 Ca 0.01 0.55 -0.08 0.00 -2.02 0.00 0.00 58.31 56.77 3kom n LYS 25 Cb 0.34 -5.38 -0.04 0.00 -0.02 0.00 0.00 35.03 29.93 3kom n LYS 25 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3kom s SER 26 N -3.36 -0.28 0.00 4.39 0.15 -1.17 -4.99 113.70 108.44 3kom s SER 26 Ca 0.65 0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.53 3kom s SER 26 Cb -0.33 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 3kom s SER 26 CO 0.85 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.59 3kom n GLY 27 N 0.47 -0.47 2.90 9.45 0.00 -1.26 -4.62 105.19 111.65 3kom n GLY 27 Ca -0.07 -1.78 -0.19 0.00 0.00 0.00 0.00 46.02 43.99 3kom n GLY 27 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kom s HIS 28 N -1.41 0.66 -0.82 1.61 0.09 -1.26 -4.03 115.29 110.12 3kom s HIS 28 Ca 0.00 -0.16 0.21 0.00 -0.00 0.00 0.00 55.06 55.11 3kom s HIS 28 Cb 0.00 -0.58 -0.25 0.00 -0.00 0.00 0.00 32.58 31.76 3kom s HIS 28 CO 0.00 -0.15 0.83 -0.35 -0.00 0.00 0.00 174.74 175.07 3kom n PRO 29 N 3.87 0.12 0.00 8.40 -0.04 -1.26 -4.40 135.00 141.69 3kom n PRO 29 Ca -0.24 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 3kom n PRO 29 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 3kom n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kom n GLY 30 N 1.46 0.00 0.66 0.55 0.00 -0.80 -4.66 105.19 102.40 3kom n GLY 30 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3kom n GLY 30 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kom n PRO 32 N -0.30 -0.98 -0.09 1.61 -0.02 -1.26 -1.99 135.00 131.97 3kom n PRO 32 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3kom n PRO 32 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3kom n PRO 32 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kom n GLY 34 N -0.09 0.00 3.40 -1.23 0.00 -1.25 -4.75 105.19 101.27 3kom n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kom n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kom n ALA 36 N -0.09 0.00 -0.08 4.61 0.00 -1.26 -4.63 120.51 119.06 3kom n ALA 36 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3kom n ALA 36 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3kom n ALA 36 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kom h ASP 37 N 0.00 0.97 -0.10 0.00 3.32 -1.88 -0.43 116.42 118.30 3kom h ASP 37 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3kom h ASP 37 Cb 0.00 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3kom h ASP 37 CO 0.00 1.30 0.07 0.40 -1.72 0.00 0.00 179.24 179.29 3kom h ILE 38 N 0.68 1.03 -0.89 0.35 2.04 -1.88 -1.78 117.51 117.06 3kom h ILE 38 Ca 0.02 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.84 3kom h ILE 38 Cb 1.12 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 3kom h ILE 38 CO 0.12 0.03 0.58 0.00 0.00 0.00 0.00 178.15 178.88 3kom h ALA 39 N 1.03 1.15 -0.56 1.87 0.00 -1.94 -1.42 119.26 119.40 3kom h ALA 39 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kom h ALA 39 Cb -0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3kom h ALA 39 CO -0.01 0.48 0.34 1.15 0.00 0.00 0.00 179.25 181.21 3kom h THR 40 N 1.16 1.16 -0.12 0.00 2.02 -0.68 0.34 112.91 116.79 3kom h THR 40 Ca 0.34 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3kom h THR 40 Cb -0.06 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 3kom h THR 40 CO -0.10 0.17 -0.01 0.58 0.37 0.00 0.00 175.52 176.53 3kom h VAL 41 N 0.75 1.26 0.07 3.16 2.07 -0.94 -1.19 116.25 121.44 3kom h VAL 41 Ca 0.20 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3kom h VAL 41 Cb -0.03 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3kom h VAL 41 CO -0.04 0.25 -0.04 0.25 0.02 0.00 0.00 177.57 178.01 3kom h LEU 42 N -0.06 -0.10 -0.42 2.57 5.85 -1.13 -1.14 115.31 120.88 3kom h LEU 42 Ca 0.03 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.58 3kom h LEU 42 Cb 0.39 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 3kom h LEU 42 CO 0.01 -0.07 -0.64 -0.50 -0.34 0.00 0.00 178.44 176.90 3kom h TRP 43 N -0.11 0.73 0.00 1.25 4.06 -0.93 -0.09 115.95 120.86 3kom h TRP 43 Ca -0.01 -0.29 -0.00 0.00 2.06 0.00 0.00 58.89 60.66 3kom h TRP 43 Cb 0.09 -0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 28.12 3kom h TRP 43 CO -0.08 1.04 -1.44 0.25 -3.56 0.00 0.00 178.44 174.65 3kom n THR 44 N -3.92 0.36 0.12 1.49 -2.24 -0.45 -3.98 114.28 105.65 3kom n THR 44 Ca -0.04 -0.53 0.05 0.00 -2.27 0.00 0.00 64.05 61.26 3kom n THR 44 Cb 0.66 -0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.62 3kom n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kom n LYS 45 N -2.50 1.17 0.00 -0.78 4.76 -0.44 -4.90 118.16 115.48 3kom n LYS 45 Ca -0.02 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 3kom n LYS 45 Cb 0.56 -1.18 0.00 0.00 -1.84 0.00 0.00 35.03 32.57 3kom n LYS 45 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3kom n PHE 46 N -1.70 0.00 -1.70 2.13 3.01 -0.86 -5.05 117.46 113.29 3kom n PHE 46 Ca -0.01 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.02 3kom n PHE 46 Cb 0.24 0.06 -0.03 0.00 -0.01 0.00 0.00 39.48 39.74 3kom n PHE 46 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 3kom n LEU 47 N -2.24 3.69 -4.44 4.37 7.94 -0.10 -4.94 117.00 121.28 3kom n LEU 47 Ca 0.00 1.06 -0.44 0.00 -1.11 0.00 0.00 56.01 55.53 3kom n LEU 47 Cb 0.28 -1.52 -0.09 0.00 0.53 0.00 0.00 43.42 42.62 3kom n LEU 47 CO 0.00 0.02 -0.00 -0.54 -1.11 0.00 0.00 177.39 175.76 3kom s LYS 48 N 1.25 2.99 0.17 1.96 -0.14 -1.26 -4.95 119.74 119.76 3kom s LYS 48 Ca 0.77 -1.11 -0.23 0.00 -1.36 0.00 0.00 55.97 54.05 3kom s LYS 48 Cb -0.57 -4.04 0.07 0.00 -1.68 0.00 0.00 37.83 31.62 3kom s LYS 48 CO 0.35 -0.87 0.61 -3.38 -0.76 0.00 0.00 175.35 171.30 3kom s HIS 49 N 1.74 -0.52 -0.27 3.18 -3.43 -1.26 -1.10 115.29 113.63 3kom s HIS 49 Ca 0.06 0.29 -0.01 0.00 -0.80 0.00 0.00 55.06 54.60 3kom s HIS 49 Cb -0.21 0.57 0.08 0.00 -1.43 0.00 0.00 32.58 31.60 3kom s HIS 49 CO 0.09 -0.87 0.06 1.21 -2.00 0.00 0.00 174.74 173.23 3kom s ASN 50 N -2.76 3.71 0.60 7.38 2.47 -1.26 -4.29 114.94 120.79 3kom s ASN 50 Ca 0.02 -1.36 0.30 0.00 0.42 0.00 0.00 52.86 52.24 3kom s ASN 50 Cb -0.01 -0.85 1.76 0.00 -1.45 0.00 0.00 41.25 40.70 3kom s ASN 50 CO -0.12 -0.36 2.17 -0.65 -3.72 0.00 0.00 177.10 174.42 3kom h PRO 51 N 8.11 0.00 0.00 0.43 0.11 -1.87 0.15 132.00 138.92 3kom h PRO 51 Ca -0.15 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.93 3kom h PRO 51 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3kom h PRO 51 CO 0.43 0.00 -0.18 -0.91 -0.21 0.00 0.00 178.00 177.13 3kom h ASN 52 N 0.00 0.00 -2.15 -2.05 2.35 -1.90 -3.39 115.58 108.44 3kom h ASN 52 Ca 0.05 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.32 3kom h ASN 52 Cb 0.28 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 38.31 3kom h ASN 52 CO -0.00 0.18 -0.82 0.21 -1.65 0.00 0.00 177.43 175.35 3kom s ASN 53 N -6.49 1.40 0.04 5.81 2.47 0.04 -4.98 114.94 113.23 3kom s ASN 53 Ca -0.03 -2.31 0.09 0.00 0.42 0.00 0.00 52.86 51.03 3kom s ASN 53 Cb 0.14 0.10 0.39 0.00 -1.45 0.00 0.00 41.25 40.43 3kom s ASN 53 CO 0.64 -0.21 1.27 -2.65 -3.72 0.00 0.00 177.10 172.42 3kom n PRO 54 N 3.53 0.02 -0.15 0.43 -0.02 -1.22 -1.81 135.00 135.78 3kom n PRO 54 Ca 0.19 0.42 0.12 0.00 -2.02 0.00 0.00 63.50 62.21 3kom n PRO 54 Cb 0.45 -1.56 0.23 0.00 -0.02 0.00 0.00 33.50 32.60 3kom n PRO 54 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3kom n HIS 55 N -1.61 0.40 -1.68 6.00 8.25 -1.26 -4.82 115.22 120.50 3kom n HIS 55 Ca 0.01 -0.20 -0.51 0.00 -0.26 0.00 0.00 57.72 56.76 3kom n HIS 55 Cb 0.08 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.14 3kom n HIS 55 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 3kom n TRP 56 N 1.33 2.18 0.27 4.41 -0.00 -0.75 -4.83 117.44 120.05 3kom n TRP 56 Ca 0.18 0.23 0.17 0.00 -0.00 0.00 0.00 57.50 58.08 3kom n TRP 56 Cb 0.57 -2.57 0.66 0.00 -0.00 0.00 0.00 31.31 29.98 3kom n TRP 56 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 177.69 176.85 3kom h ILE 57 N 4.98 0.05 -0.55 5.87 3.07 -1.93 -2.47 117.51 126.53 3kom h ILE 57 Ca -0.47 -0.57 0.00 0.00 1.55 0.00 0.00 64.86 65.37 3kom h ILE 57 Cb 1.29 1.54 0.00 0.00 -0.27 0.00 0.00 36.82 39.38 3kom h ILE 57 CO 0.93 0.02 0.00 -3.20 -1.05 0.00 0.00 178.15 174.85 3kom n ASN 58 N -3.12 4.64 -4.76 2.16 4.05 -1.26 -4.98 115.26 111.99 3kom n ASN 58 Ca 0.01 -2.58 -0.38 0.00 0.45 0.00 0.00 54.58 52.08 3kom n ASN 58 Cb 0.32 -0.56 0.02 0.00 1.23 0.00 0.00 39.78 40.79 3kom n ASN 58 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kom s ARG 59 N -2.08 3.32 0.54 1.20 1.70 -0.93 -4.72 118.95 117.97 3kom s ARG 59 Ca 0.48 2.05 -0.22 0.00 -0.47 0.00 0.00 55.73 57.58 3kom s ARG 59 Cb 0.33 -2.27 -0.06 0.00 -0.57 0.00 0.00 34.95 32.38 3kom s ARG 59 CO 0.20 -0.99 1.25 -0.25 -1.08 0.00 0.00 175.30 174.42 3kom n ASP 60 N -0.91 2.18 -4.69 -2.89 8.00 -0.26 -4.81 116.55 113.17 3kom n ASP 60 Ca 0.10 0.96 -0.35 0.00 0.71 0.00 0.00 54.79 56.21 3kom n ASP 60 Cb 0.46 -1.52 -0.09 0.00 -0.02 0.00 0.00 41.12 39.96 3kom n ASP 60 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3kom s ARG 61 N -2.74 3.71 -0.09 -1.24 3.00 -0.83 -4.90 118.95 115.85 3kom s ARG 61 Ca 0.71 -0.31 0.03 0.00 0.00 0.00 0.00 55.73 56.15 3kom s ARG 61 Cb -0.44 -3.14 -0.01 0.00 0.00 0.00 0.00 34.95 31.36 3kom s ARG 61 CO 0.50 0.44 -0.18 0.12 0.00 0.00 0.00 175.30 176.18 3kom s PHE 62 N -0.11 2.67 -0.09 -0.53 5.36 -1.26 -0.53 117.98 123.49 3kom s PHE 62 Ca 0.07 -0.64 0.03 0.00 -0.96 0.00 0.00 56.93 55.43 3kom s PHE 62 Cb -0.12 -1.73 0.01 0.00 -0.34 0.00 0.00 43.02 40.84 3kom s PHE 62 CO 0.01 -0.18 -0.18 0.08 -1.46 0.00 0.00 175.22 173.49 3kom s VAL 63 N 0.04 1.61 -0.59 3.12 1.01 -0.05 -4.51 120.40 121.03 3kom s VAL 63 Ca -0.07 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 60.98 3kom s VAL 63 Cb -0.15 -1.42 0.11 0.00 0.00 0.00 0.00 36.38 34.92 3kom s VAL 63 CO 0.05 0.46 0.66 -0.22 0.00 0.00 0.00 175.10 176.05 3kom s LEU 64 N 0.56 5.64 0.02 3.92 2.96 -1.26 -1.30 118.68 129.22 3kom s LEU 64 Ca -0.15 -1.57 0.04 0.00 -0.22 0.00 0.00 54.13 52.23 3kom s LEU 64 Cb -0.17 -2.28 -0.24 0.00 0.50 0.00 0.00 46.19 44.00 3kom s LEU 64 CO 0.05 -1.03 0.90 -1.28 -1.32 0.00 0.00 176.35 173.67 3kom h SER 65 N 9.07 0.17 -4.25 3.68 0.87 -1.44 -3.46 113.55 118.19 3kom h SER 65 Ca -0.28 -0.25 -0.49 0.00 -1.23 0.00 0.00 61.79 59.54 3kom h SER 65 Cb 1.09 -0.06 0.05 0.00 -0.44 0.00 0.00 62.40 63.04 3kom h SER 65 CO 1.08 1.21 0.38 0.54 -0.53 0.00 0.00 176.83 179.51 3kom s ASN 66 N -6.65 6.11 0.71 6.23 4.22 -1.19 -4.66 114.94 119.71 3kom s ASN 66 Ca -0.05 1.62 -0.01 0.00 -2.14 0.00 0.00 52.86 52.27 3kom s ASN 66 Cb 0.08 -2.51 0.12 0.00 1.28 0.00 0.00 41.25 40.22 3kom s ASN 66 CO 0.83 -0.94 0.98 -0.83 -2.04 0.00 0.00 177.10 175.10 3kom s GLY 67 N -3.31 1.77 -1.40 0.45 0.00 -1.26 -4.57 107.32 98.99 3kom s GLY 67 Ca 0.59 -1.62 -0.09 0.00 0.00 0.00 0.00 44.72 43.60 3kom s GLY 67 CO 0.41 -1.09 1.06 1.42 0.00 0.00 0.00 173.10 174.90 3kom n HIS 68 N -2.82 -2.53 -2.04 1.90 8.25 -1.26 -4.85 115.22 111.87 3kom n HIS 68 Ca 0.14 0.96 -0.03 0.00 -0.26 0.00 0.00 57.72 58.52 3kom n HIS 68 Cb 0.60 -4.61 -0.01 0.00 1.12 0.00 0.00 29.99 27.09 3kom n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kom n GLY 69 N -1.78 0.35 2.46 -1.41 0.00 -1.26 -4.58 105.19 98.97 3kom n GLY 69 Ca -0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 3kom n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kom n SER 70 N -0.28 1.90 0.00 1.61 3.41 -1.26 -4.19 113.62 114.80 3kom n SER 70 Ca -0.16 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.55 3kom n SER 70 Cb 0.59 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3kom n SER 70 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3kom n LEU 72 N 3.29 0.00 -0.06 1.04 7.94 -1.26 -2.03 117.00 125.91 3kom n LEU 72 Ca 0.16 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.92 3kom n LEU 72 Cb 0.23 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.12 3kom n LEU 72 CO 0.31 0.00 0.47 0.25 -1.11 0.00 0.00 177.39 177.31 3kom h LEU 73 N 0.00 0.72 -0.88 -1.96 5.85 -2.00 -1.86 115.31 115.18 3kom h LEU 73 Ca 0.00 -0.55 -0.08 0.00 0.84 0.00 0.00 57.88 58.09 3kom h LEU 73 Cb 0.00 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3kom h LEU 73 CO 0.00 1.14 -0.05 1.88 -0.34 0.00 0.00 178.44 181.06 3kom h TYR 74 N 0.34 0.83 -0.45 1.25 0.05 -1.77 -0.84 116.97 116.39 3kom h TYR 74 Ca 0.01 -0.13 0.02 0.00 0.05 0.00 0.00 58.73 58.67 3kom h TYR 74 Cb 1.02 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 38.50 3kom h TYR 74 CO 0.09 0.80 0.26 0.77 -1.05 0.00 0.00 178.16 179.03 3kom h SER 75 N 0.71 0.43 -0.45 3.88 0.02 -1.80 -0.64 113.55 115.70 3kom h SER 75 Ca 0.13 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3kom h SER 75 Cb 0.51 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 3kom h SER 75 CO 0.03 0.31 0.18 -0.07 -1.14 0.00 0.00 176.83 176.13 3kom h LEU 76 N 0.53 0.62 -0.57 5.07 3.38 -0.63 -0.49 115.31 123.23 3kom h LEU 76 Ca 0.18 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3kom h LEU 76 Cb 0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3kom h LEU 76 CO -0.08 0.63 0.01 -0.07 0.09 0.00 0.00 178.44 179.02 3kom h LEU 77 N 0.58 0.97 0.02 1.67 3.38 -1.04 -1.94 115.31 118.96 3kom h LEU 77 Ca 0.15 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3kom h LEU 77 Cb 0.20 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3kom h LEU 77 CO -0.01 1.03 -0.01 -0.74 0.09 0.00 0.00 178.44 178.80 3kom h HIS 78 N 0.88 -0.03 -0.51 1.13 2.76 -0.91 -0.90 115.15 117.57 3kom h HIS 78 Ca 0.16 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.26 3kom h HIS 78 Cb 0.53 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 3kom h HIS 78 CO 0.04 0.22 0.03 -0.07 -1.30 0.00 0.00 177.93 176.85 3kom h LEU 79 N -0.28 0.79 -0.03 0.26 3.38 -1.01 -2.41 115.31 116.01 3kom h LEU 79 Ca -0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3kom h LEU 79 Cb 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3kom h LEU 79 CO 0.01 0.83 -0.05 0.35 0.09 0.00 0.00 178.44 179.67 3kom n THR 80 N -4.23 0.00 0.00 0.22 -2.24 -0.74 -3.43 114.28 103.87 3kom n THR 80 Ca 0.03 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3kom n THR 80 Cb 0.29 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 3kom n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kom n GLY 81 N 1.40 1.16 3.69 3.38 0.00 -0.91 -1.06 105.19 112.85 3kom n GLY 81 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3kom n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kom s TYR 82 N -2.00 2.18 -1.40 1.61 1.51 -0.37 -4.76 117.35 114.11 3kom s TYR 82 Ca 0.00 1.16 -0.15 0.00 -1.01 0.00 0.00 57.07 57.07 3kom s TYR 82 Cb 0.00 -3.20 0.04 0.00 -0.11 0.00 0.00 41.96 38.69 3kom s TYR 82 CO 0.00 -2.66 2.11 -0.25 -1.11 0.00 0.00 175.55 173.64 3kom n ASP 83 N -4.05 4.06 -3.56 2.29 8.00 -1.26 -4.72 116.55 117.31 3kom n ASP 83 Ca 0.06 -2.85 -0.19 0.00 0.71 0.00 0.00 54.79 52.52 3kom n ASP 83 Cb 0.56 -1.66 -0.14 0.00 -0.02 0.00 0.00 41.12 39.85 3kom n ASP 83 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3kom s LEU 84 N 2.70 -0.03 0.49 0.64 0.20 -1.26 -4.66 118.68 116.75 3kom s LEU 84 Ca 0.49 -0.11 0.03 0.00 0.69 0.00 0.00 54.13 55.23 3kom s LEU 84 Cb 0.12 0.27 0.02 0.00 -0.43 0.00 0.00 46.19 46.16 3kom s LEU 84 CO -0.04 -0.31 0.69 -0.94 -0.29 0.00 0.00 176.35 175.47 3kom s SER 85 N 2.29 5.49 0.30 3.68 1.04 -1.26 -4.42 113.70 120.81 3kom s SER 85 Ca 0.05 -0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.40 3kom s SER 85 Cb -0.15 -0.95 0.44 0.00 0.10 0.00 0.00 66.02 65.46 3kom s SER 85 CO -0.10 -0.95 1.91 -0.29 0.98 0.00 0.00 173.24 174.79 3kom h ILE 86 N 0.30 1.21 -0.37 -1.02 6.09 -1.98 -1.64 117.51 120.10 3kom h ILE 86 Ca -0.43 -0.56 -0.09 0.00 -1.37 0.00 0.00 64.86 62.41 3kom h ILE 86 Cb 1.28 0.33 -0.02 0.00 0.47 0.00 0.00 36.82 38.88 3kom h ILE 86 CO 0.51 0.24 -0.13 -0.33 -3.07 0.00 0.00 178.15 175.37 3kom h GLU 87 N 0.95 0.65 -0.71 2.19 4.39 -1.97 0.20 114.58 120.28 3kom h GLU 87 Ca 0.24 -0.21 0.04 0.00 0.34 0.00 0.00 59.36 59.76 3kom h GLU 87 Cb 0.07 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.61 3kom h GLU 87 CO -0.03 0.76 0.43 -0.44 -1.16 0.00 0.00 179.01 178.57 3kom h ASP 88 N 0.59 0.70 -0.71 1.42 3.32 -1.82 -1.65 116.42 118.26 3kom h ASP 88 Ca 0.10 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 3kom h ASP 88 Cb 0.57 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 3kom h ASP 88 CO 0.04 0.47 0.32 0.40 -1.72 0.00 0.00 179.24 178.75 3kom h ILE 89 N 0.83 1.24 0.00 0.35 2.04 -0.83 -0.76 117.51 120.38 3kom h ILE 89 Ca 0.29 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3kom h ILE 89 Cb 0.07 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3kom h ILE 89 CO -0.13 0.29 0.00 0.29 0.00 0.00 0.00 178.15 178.60 3kom n LYS 90 N -4.40 0.03 -0.68 2.37 5.02 0.02 -2.41 118.16 118.11 3kom n LYS 90 Ca 0.06 0.32 0.06 0.00 -2.02 0.00 0.00 58.31 56.73 3kom n LYS 90 Cb 0.15 -1.50 0.19 0.00 -0.02 0.00 0.00 35.03 33.84 3kom n LYS 90 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kom n ASN 91 N -1.43 1.65 -4.62 4.39 4.13 -0.32 -4.90 115.26 114.15 3kom n ASN 91 Ca 0.02 -3.66 -0.51 0.00 1.68 0.00 0.00 54.58 52.12 3kom n ASN 91 Cb 0.08 -0.50 -0.06 0.00 -1.54 0.00 0.00 39.78 37.76 3kom n ASN 91 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3kom n PHE 92 N -0.94 1.78 -1.21 3.10 7.35 -1.01 -1.60 117.46 124.92 3kom n PHE 92 Ca 0.17 0.51 -0.07 0.00 -0.76 0.00 0.00 57.45 57.31 3kom n PHE 92 Cb 0.74 -2.41 -0.03 0.00 0.35 0.00 0.00 39.48 38.13 3kom n PHE 92 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3kom n ARG 93 N 3.17 -0.82 -3.60 -4.13 1.74 0.42 -4.73 116.66 108.71 3kom n ARG 93 Ca 0.19 0.67 -0.22 0.00 -0.77 0.00 0.00 57.85 57.72 3kom n ARG 93 Cb 0.21 -4.56 -0.01 0.00 -1.02 0.00 0.00 32.46 27.08 3kom n ARG 93 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3kom s GLN 94 N -2.29 2.40 -0.20 5.56 -1.52 -0.63 -4.87 119.66 118.11 3kom s GLN 94 Ca 0.00 -1.72 -0.40 0.00 -1.95 0.00 0.00 55.36 51.29 3kom s GLN 94 Cb 0.00 -2.32 -0.16 0.00 -0.22 0.00 0.00 33.01 30.31 3kom s GLN 94 CO 0.00 -0.43 1.63 1.28 -0.25 0.00 0.00 175.29 177.52 3kom n LEU 95 N -1.72 2.11 0.00 2.90 4.77 -1.26 -3.26 117.00 120.54 3kom n LEU 95 Ca 0.03 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 3kom n LEU 95 Cb 0.63 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 3kom n LEU 95 CO 0.41 -0.62 0.00 1.41 -1.33 0.00 0.00 177.39 177.26 3kom n HIS 96 N 4.58 0.00 -0.65 -1.77 8.25 -1.26 -4.94 115.22 119.43 3kom n HIS 96 Ca 0.25 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.40 3kom n HIS 96 Cb 0.13 -0.54 0.18 0.00 1.12 0.00 0.00 29.99 30.88 3kom n HIS 96 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3kom n SER 97 N 0.00 -1.17 0.00 0.41 3.41 -1.20 -4.86 113.62 110.20 3kom n SER 97 Ca 0.00 0.17 0.09 0.00 -0.26 0.00 0.00 58.87 58.88 3kom n SER 97 Cb 0.00 -1.28 0.51 0.00 -0.26 0.00 0.00 64.21 63.18 3kom n SER 97 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kom n LYS 98 N -3.49 0.40 -2.98 4.33 5.02 -1.26 -4.25 118.16 115.93 3kom n LYS 98 Ca 0.07 0.07 -0.24 0.00 -2.02 0.00 0.00 58.31 56.18 3kom n LYS 98 Cb 0.54 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 3kom n LYS 98 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3kom n THR 99 N -1.17 2.16 -1.02 -0.18 -2.24 -1.26 -4.77 114.28 105.80 3kom n THR 99 Ca 0.11 -5.26 -0.31 0.00 -2.27 0.00 0.00 64.05 56.32 3kom n THR 99 Cb 0.11 -1.06 0.13 0.00 -2.10 0.00 0.00 70.33 67.41 3kom n THR 99 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kom s PRO 100 N -3.20 1.65 0.49 -0.78 0.04 -1.26 -0.44 135.00 131.51 3kom s PRO 100 Ca 0.46 1.44 0.18 0.00 0.04 0.00 0.00 61.00 63.12 3kom s PRO 100 Cb 0.31 -1.81 1.22 0.00 0.04 0.00 0.00 34.50 34.26 3kom s PRO 100 CO -0.12 -2.15 2.06 0.78 0.04 0.00 0.00 177.00 177.61 3kom h GLY 101 N -1.35 0.18 -4.70 0.56 0.00 -1.94 -3.39 103.07 92.43 3kom h GLY 101 Ca -0.44 -0.06 -0.70 0.00 0.00 0.00 0.00 47.33 46.14 3kom h GLY 101 CO 0.46 0.04 -0.89 0.30 0.00 0.00 0.00 176.54 176.46 3kom s HIS 102 N -5.16 2.35 0.36 5.60 3.76 -1.26 -4.60 115.29 116.34 3kom s HIS 102 Ca -0.06 -0.52 -0.28 0.00 -0.15 0.00 0.00 55.06 54.05 3kom s HIS 102 Cb 0.18 -1.52 -0.10 0.00 1.11 0.00 0.00 32.58 32.25 3kom s HIS 102 CO 0.71 -0.09 1.40 -2.14 -0.85 0.00 0.00 174.74 173.77 3kom s PRO 103 N -0.49 4.19 -0.07 8.40 0.02 -1.26 -4.91 135.00 140.88 3kom s PRO 103 Ca 0.06 2.40 0.04 0.00 0.02 0.00 0.00 61.00 63.52 3kom s PRO 103 Cb -0.11 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.42 3kom s PRO 103 CO 0.00 -0.39 -0.20 -1.21 -0.33 0.00 0.00 177.00 174.87 3kom s GLU 104 N -1.99 2.40 0.28 5.54 2.02 -1.26 -2.64 118.70 123.05 3kom s GLU 104 Ca 0.52 -0.72 -0.29 0.00 0.02 0.00 0.00 54.97 54.49 3kom s GLU 104 Cb -0.43 -1.92 -0.09 0.00 0.10 0.00 0.00 34.13 31.78 3kom s GLU 104 CO 0.58 0.19 1.04 -0.47 0.02 0.00 0.00 175.26 176.62 3kom s TYR 105 N 0.27 3.67 0.00 1.61 5.04 -1.24 -4.35 117.35 122.34 3kom s TYR 105 Ca -0.12 1.76 0.00 0.00 -2.44 0.00 0.00 57.07 56.27 3kom s TYR 105 Cb -0.15 -3.16 0.00 0.00 0.35 0.00 0.00 41.96 38.99 3kom s TYR 105 CO 0.06 -0.23 0.00 0.41 -1.34 0.00 0.00 175.55 174.44 3kom n GLY 106 N 1.15 1.51 1.50 8.97 0.00 -1.26 -4.93 105.19 112.14 3kom n GLY 106 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3kom n GLY 106 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kom n TYR 107 N 0.00 -0.37 -1.69 1.61 9.36 -1.26 -5.02 117.16 119.78 3kom n TYR 107 Ca 0.00 0.07 -0.42 0.00 3.32 0.00 0.00 57.90 60.87 3kom n TYR 107 Cb 0.00 0.26 -0.03 0.00 -0.63 0.00 0.00 39.34 38.94 3kom n TYR 107 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3kom s THR 108 N -2.00 2.79 0.20 2.97 2.01 -1.26 -4.89 115.64 115.45 3kom s THR 108 Ca 0.00 0.03 -0.31 0.00 0.31 0.00 0.00 61.69 61.72 3kom s THR 108 Cb 0.00 -3.02 -0.10 0.00 0.01 0.00 0.00 72.50 69.39 3kom s THR 108 CO 0.00 -0.00 1.46 -2.16 -0.69 0.00 0.00 174.62 173.23 3kom s PRO 109 N 3.68 4.27 0.00 4.92 0.04 -1.26 -2.78 135.00 143.87 3kom s PRO 109 Ca 0.85 2.27 0.00 0.00 0.04 0.00 0.00 61.00 64.16 3kom s PRO 109 Cb -0.44 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 30.95 3kom s PRO 109 CO 0.39 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.37 3kom n GLY 110 N 2.89 0.83 3.61 0.56 0.00 -1.26 -4.89 105.19 106.93 3kom n GLY 110 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3kom n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kom s VAL 111 N -3.20 4.87 -0.29 1.61 1.01 -1.12 -4.94 120.40 118.34 3kom s VAL 111 Ca 0.00 1.12 0.22 0.00 0.00 0.00 0.00 61.98 63.32 3kom s VAL 111 Cb 0.00 -4.06 0.10 0.00 0.00 0.00 0.00 36.38 32.41 3kom s VAL 111 CO 0.00 -0.15 1.21 -0.33 0.00 0.00 0.00 175.10 175.83 3kom h GLU 112 N 8.05 0.00 -3.04 2.72 4.39 -1.91 -3.40 114.58 121.38 3kom h GLU 112 Ca -0.25 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.50 3kom h GLU 112 Cb 1.11 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.70 3kom h GLU 112 CO 0.84 0.02 0.21 -0.08 -1.16 0.00 0.00 179.01 178.84 3kom s THR 113 N -3.29 0.00 -0.25 1.13 -1.32 -1.26 -4.92 115.64 105.73 3kom s THR 113 Ca 0.02 -0.95 -0.09 0.00 -1.21 0.00 0.00 61.69 59.46 3kom s THR 113 Cb 0.08 -1.94 -0.04 0.00 -1.51 0.00 0.00 72.50 69.09 3kom s THR 113 CO 0.75 -0.00 0.11 -0.89 -2.21 0.00 0.00 174.62 172.38 3kom s THR 114 N -3.91 4.73 0.42 5.08 2.01 -1.26 -3.73 115.64 118.97 3kom s THR 114 Ca 0.11 -0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.14 3kom s THR 114 Cb -0.05 -3.21 -0.07 0.00 0.01 0.00 0.00 72.50 69.17 3kom s THR 114 CO 0.06 0.33 0.04 0.42 -0.69 0.00 0.00 174.62 174.78 3kom s THR 115 N 1.43 1.99 0.00 -0.82 -4.23 -1.08 -4.92 115.64 108.02 3kom s THR 115 Ca 0.06 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 3kom s THR 115 Cb -0.15 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.75 3kom s THR 115 CO 0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 3kom n GLY 116 N -1.03 0.48 3.68 3.99 0.00 -1.26 -4.43 105.19 106.62 3kom n GLY 116 Ca -0.05 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3kom n GLY 116 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kom s PRO 117 N 0.00 4.24 0.60 1.61 0.02 -1.26 -4.87 135.00 135.33 3kom s PRO 117 Ca 0.00 2.09 -0.17 0.00 0.02 0.00 0.00 61.00 62.94 3kom s PRO 117 Cb 0.00 -3.67 -0.03 0.00 0.02 0.00 0.00 34.50 30.82 3kom s PRO 117 CO 0.00 -0.68 1.10 -0.51 -0.33 0.00 0.00 177.00 176.59 3kom s LEU 118 N 2.86 3.55 0.00 -5.54 1.43 -1.26 -3.44 118.68 116.27 3kom s LEU 118 Ca 0.68 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.81 3kom s LEU 118 Cb -0.33 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.33 3kom s LEU 118 CO 0.28 -1.38 0.00 0.61 0.23 0.00 0.00 176.35 176.09 3kom n GLY 119 N -0.35 2.47 0.18 -3.19 0.00 -1.26 -4.84 105.19 98.20 3kom n GLY 119 Ca 0.10 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.95 3kom n GLY 119 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kom h GLN 120 N 0.00 0.00 -0.84 1.61 4.20 -1.91 -2.85 115.11 115.31 3kom h GLN 120 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3kom h GLN 120 Cb 0.00 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 3kom h GLN 120 CO 0.00 0.42 0.49 0.78 -0.67 0.00 0.00 178.83 179.85 3kom h GLY 121 N 2.08 1.24 0.95 3.46 0.00 -1.83 0.14 103.07 109.11 3kom h GLY 121 Ca -0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 3kom h GLY 121 CO 0.05 0.51 0.11 -2.08 0.00 0.00 0.00 176.54 175.14 3kom h VAL 122 N 1.17 1.23 -0.56 4.60 2.07 -1.85 -0.57 116.25 122.35 3kom h VAL 122 Ca 0.30 -0.79 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 3kom h VAL 122 Cb -0.02 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3kom h VAL 122 CO -0.05 0.28 -0.01 0.00 0.02 0.00 0.00 177.57 177.81 3kom h ALA 123 N 0.97 0.94 -0.85 1.67 0.00 -1.34 -1.09 119.26 119.56 3kom h ALA 123 Ca 0.14 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3kom h ALA 123 Cb 0.31 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3kom h ALA 123 CO 0.00 0.64 0.56 -0.91 0.00 0.00 0.00 179.25 179.53 3kom h ASN 124 N 0.88 0.95 -0.76 0.00 2.35 -0.47 -1.24 115.58 117.29 3kom h ASN 124 Ca 0.16 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3kom h ASN 124 Cb 0.53 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 3kom h ASN 124 CO 0.03 0.68 0.28 0.00 -1.65 0.00 0.00 177.43 176.77 3kom h ALA 125 N 1.32 1.04 -0.79 -0.83 0.00 -0.60 -2.31 119.26 117.09 3kom h ALA 125 Ca 0.32 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3kom h ALA 125 Cb -0.10 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.33 3kom h ALA 125 CO -0.08 0.66 0.47 0.28 0.00 0.00 0.00 179.25 180.58 3kom h VAL 126 N 1.13 0.99 0.00 0.00 2.07 -0.69 -0.06 116.25 119.69 3kom h VAL 126 Ca 0.25 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3kom h VAL 126 Cb 0.25 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3kom h VAL 126 CO -0.02 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.34 3kom n GLY 127 N -1.31 0.63 0.06 2.17 0.00 -0.52 -0.78 105.19 105.43 3kom n GLY 127 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3kom n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kom n ALA 129 N 0.78 0.00 -0.37 4.61 0.00 -0.04 -0.93 120.51 124.56 3kom n ALA 129 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3kom n ALA 129 Cb 0.15 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.72 3kom n ALA 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3kom h LEU 130 N 0.00 1.13 -0.37 0.00 5.85 -1.20 -2.34 115.31 118.38 3kom h LEU 130 Ca 0.00 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.76 3kom h LEU 130 Cb 0.00 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.70 3kom h LEU 130 CO 0.00 0.81 0.03 1.23 -0.34 0.00 0.00 178.44 180.17 3kom h GLY 131 N 1.33 0.40 0.90 3.75 0.00 -1.29 0.09 103.07 108.25 3kom h GLY 131 Ca 0.37 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.74 3kom h GLY 131 CO -0.09 -0.06 0.43 -2.09 0.00 0.00 0.00 176.54 174.72 3kom h GLU 132 N 0.14 0.82 -0.42 4.80 4.22 -1.78 0.19 114.58 122.56 3kom h GLU 132 Ca 0.18 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.55 3kom h GLU 132 Cb 0.23 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3kom h GLU 132 CO -0.27 0.55 0.19 -0.22 -2.18 0.00 0.00 179.01 177.07 3kom h LYS 133 N 0.85 0.61 -0.35 1.92 3.64 -1.02 -0.62 116.57 121.59 3kom h LYS 133 Ca 0.27 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3kom h LYS 133 Cb -0.01 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3kom h LYS 133 CO -0.09 0.54 0.06 -0.07 -2.27 0.00 0.00 179.45 177.61 3kom h LEU 134 N 0.53 0.55 -0.35 5.20 3.38 -0.56 -1.72 115.31 122.34 3kom h LEU 134 Ca 0.14 -0.26 -0.18 0.00 0.09 0.00 0.00 57.88 57.67 3kom h LEU 134 Cb 0.14 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kom h LEU 134 CO -0.02 0.67 -0.55 -0.07 0.09 0.00 0.00 178.44 178.56 3kom h LEU 135 N 0.41 0.90 -0.88 1.67 3.38 -0.92 -1.55 115.31 118.32 3kom h LEU 135 Ca 0.11 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3kom h LEU 135 Cb 0.35 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3kom h LEU 135 CO 0.01 1.26 0.56 0.77 0.09 0.00 0.00 178.44 181.13 3kom h SER 136 N 0.62 1.03 -0.67 -0.43 4.64 -1.08 -1.07 113.55 116.59 3kom h SER 136 Ca 0.01 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 3kom h SER 136 Cb 1.14 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 3kom h SER 136 CO 0.12 0.76 0.09 0.44 -0.87 0.00 0.00 176.83 177.38 3kom h ASP 137 N 1.20 1.08 -0.03 4.97 3.32 -1.13 0.43 116.42 126.26 3kom h ASP 137 Ca 0.32 -0.27 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 3kom h ASP 137 Cb -0.10 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.15 3kom h ASP 137 CO -0.07 1.07 -0.36 0.03 -1.72 0.00 0.00 179.24 178.19 3kom h ARG 138 N 1.04 0.52 0.00 3.56 3.08 -0.85 -3.39 114.38 118.34 3kom h ARG 138 Ca 0.20 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3kom h ARG 138 Cb 0.46 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 3kom h ARG 138 CO 0.02 0.81 -1.00 0.66 -1.07 0.00 0.00 179.97 179.38 3kom n TYR 139 N -4.05 0.00 -1.88 3.04 4.01 -0.44 -5.03 117.16 112.81 3kom n TYR 139 Ca -0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.40 3kom n TYR 139 Cb 0.49 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.55 3kom n TYR 139 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3kom s ASN 140 N -2.10 5.40 0.30 7.72 0.02 0.13 -4.79 114.94 121.62 3kom s ASN 140 Ca -0.00 1.92 0.03 0.00 -1.02 0.00 0.00 52.86 53.78 3kom s ASN 140 Cb 0.00 -2.54 -0.06 0.00 0.02 0.00 0.00 41.25 38.67 3kom s ASN 140 CO 0.00 -1.43 0.08 0.42 0.02 0.00 0.00 177.10 176.20 3kom s THR 141 N -2.40 0.85 0.57 1.60 -4.23 -0.46 -4.93 115.64 106.64 3kom s THR 141 Ca 0.65 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.42 3kom s THR 141 Cb -0.18 -2.70 0.33 0.00 1.34 0.00 0.00 72.50 71.28 3kom s THR 141 CO 0.40 0.00 2.21 -0.65 -0.54 0.00 0.00 174.62 176.04 3kom h PRO 142 N 2.24 0.00 -0.00 3.99 0.11 -2.02 -2.12 132.00 134.20 3kom h PRO 142 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3kom h PRO 142 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kom h PRO 142 CO 0.65 0.00 -0.48 -0.25 -0.21 0.00 0.00 178.00 177.70 3kom n ASP 143 N -4.07 0.89 -3.39 -2.05 8.00 -1.26 -4.91 116.55 109.76 3kom n ASP 143 Ca -0.03 -0.69 0.01 0.00 0.71 0.00 0.00 54.79 54.79 3kom n ASP 143 Cb 0.10 0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 3kom n ASP 143 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3kom s LEU 144 N -2.78 -1.21 -0.30 0.64 2.96 -0.80 -5.12 118.68 112.08 3kom s LEU 144 Ca 0.16 1.12 -0.12 0.00 -0.22 0.00 0.00 54.13 55.07 3kom s LEU 144 Cb 0.18 2.12 -0.04 0.00 0.50 0.00 0.00 46.19 48.95 3kom s LEU 144 CO 0.65 -0.24 0.24 -0.54 -1.32 0.00 0.00 176.35 175.13 3kom s LYS 145 N 2.84 3.80 -0.07 1.98 1.02 -1.26 -1.36 119.74 126.70 3kom s LYS 145 Ca 0.09 -0.38 0.18 0.00 0.02 0.00 0.00 55.97 55.88 3kom s LYS 145 Cb -0.14 -3.71 -0.23 0.00 -0.52 0.00 0.00 37.83 33.23 3kom s LYS 145 CO -0.19 -0.29 0.44 0.28 -0.92 0.00 0.00 175.35 174.67 3kom n VAL 146 N 5.09 1.01 -4.33 3.17 0.31 -1.26 -4.87 118.33 117.45 3kom n VAL 146 Ca -0.13 -0.72 -0.32 0.00 -0.01 0.00 0.00 64.34 63.17 3kom n VAL 146 Cb 0.51 -0.47 -0.16 0.00 -0.91 0.00 0.00 33.84 32.81 3kom n VAL 146 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3kom s ILE 147 N -2.88 1.94 -0.32 2.52 -1.09 -1.26 -4.83 121.20 115.28 3kom s ILE 147 Ca -0.07 -0.88 -0.03 0.00 -2.23 0.00 0.00 60.65 57.44 3kom s ILE 147 Cb 0.09 -1.75 0.19 0.00 -1.58 0.00 0.00 42.46 39.41 3kom s ILE 147 CO 0.84 0.52 0.85 -0.62 -1.23 0.00 0.00 174.94 175.30 3kom s ASP 148 N 1.13 -0.93 0.31 3.58 2.15 -1.26 -4.68 116.67 116.96 3kom s ASP 148 Ca -0.00 -0.09 -0.19 0.00 0.43 0.00 0.00 52.55 52.70 3kom s ASP 148 Cb -0.14 1.44 0.03 0.00 -0.30 0.00 0.00 42.92 43.95 3kom s ASP 148 CO -0.08 -0.15 0.73 -1.38 -0.17 0.00 0.00 175.17 174.13 3kom s HIS 149 N 2.54 -0.06 0.41 -5.34 -3.43 -1.26 -5.00 115.29 103.15 3kom s HIS 149 Ca 0.18 -0.47 0.08 0.00 -0.80 0.00 0.00 55.06 54.05 3kom s HIS 149 Cb -0.04 0.73 0.00 0.00 -1.43 0.00 0.00 32.58 31.85 3kom s HIS 149 CO -0.20 -1.34 0.54 -1.01 -2.00 0.00 0.00 174.74 170.73 3kom s HIS 150 N -3.38 2.84 -0.09 0.38 3.76 -1.26 -4.95 115.29 112.59 3kom s HIS 150 Ca 0.13 -0.38 0.02 0.00 -0.15 0.00 0.00 55.06 54.67 3kom s HIS 150 Cb -0.05 -2.30 0.02 0.00 1.11 0.00 0.00 32.58 31.35 3kom s HIS 150 CO 0.09 -0.33 -0.12 0.99 -0.85 0.00 0.00 174.74 174.51 3kom s THR 151 N -2.34 1.20 -0.04 1.30 2.01 -0.58 -1.97 115.64 115.21 3kom s THR 151 Ca 0.53 -0.48 0.06 0.00 0.31 0.00 0.00 61.69 62.11 3kom s THR 151 Cb -0.09 -1.12 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 3kom s THR 151 CO 0.32 0.38 -0.22 -0.31 -0.69 0.00 0.00 174.62 174.10 3kom s TYR 152 N 0.96 2.49 -0.02 4.92 1.51 0.31 -1.06 117.35 126.46 3kom s TYR 152 Ca -0.09 -0.44 0.02 0.00 -1.01 0.00 0.00 57.07 55.55 3kom s TYR 152 Cb -0.15 -1.58 0.01 0.00 -0.11 0.00 0.00 41.96 40.13 3kom s TYR 152 CO -0.00 -0.03 -0.05 0.54 -1.11 0.00 0.00 175.55 174.90 3kom s VAL 153 N -0.48 0.51 -0.09 0.71 0.11 -0.72 -0.87 120.40 119.56 3kom s VAL 153 Ca 0.06 -0.20 -0.12 0.00 -2.93 0.00 0.00 61.98 58.79 3kom s VAL 153 Cb -0.11 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.20 3kom s VAL 153 CO 0.01 0.18 0.29 -0.36 -3.33 0.00 0.00 175.10 171.89 3kom s PHE 154 N 0.34 3.59 0.05 1.54 0.40 -0.42 -0.72 117.98 122.77 3kom s PHE 154 Ca -0.04 0.71 -0.04 0.00 -0.60 0.00 0.00 56.93 56.96 3kom s PHE 154 Cb -0.08 -2.21 -0.02 0.00 0.51 0.00 0.00 43.02 41.22 3kom s PHE 154 CO -0.00 0.52 0.05 -0.48 0.70 0.00 0.00 175.22 176.01 3kom s LEU 155 N -0.49 2.06 0.00 -0.37 0.05 -0.18 -1.09 118.68 118.65 3kom s LEU 155 Ca 0.18 -0.74 0.01 0.00 0.05 0.00 0.00 54.13 53.64 3kom s LEU 155 Cb -0.14 0.47 -0.00 0.00 -2.05 0.00 0.00 46.19 44.46 3kom s LEU 155 CO 0.07 -0.56 0.05 0.61 -0.55 0.00 0.00 176.35 175.96 3kom n GLY 156 N 0.45 3.66 0.30 -3.48 0.00 -1.26 -1.30 105.19 103.55 3kom n GLY 156 Ca -0.17 -2.19 -0.02 0.00 0.00 0.00 0.00 46.02 43.64 3kom n GLY 156 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kom h ASP 157 N 0.94 0.77 0.00 1.61 3.32 -2.00 -2.44 116.42 118.62 3kom h ASP 157 Ca -0.25 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3kom h ASP 157 Cb 0.83 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.22 3kom h ASP 157 CO 0.40 0.52 0.00 0.61 -1.72 0.00 0.00 179.24 179.05 3kom n GLY 158 N -1.31 0.00 1.32 2.75 0.00 -1.26 -4.71 105.19 101.98 3kom n GLY 158 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 3kom n GLY 158 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kom n LEU 160 N 0.89 -0.04 -0.83 0.99 4.77 -0.92 -4.77 117.00 117.09 3kom n LEU 160 Ca 0.00 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3kom n LEU 160 Cb 0.00 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3kom n LEU 160 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.44 3kom n GLU 162 N -0.56 0.00 0.25 3.23 -0.58 -1.26 -4.82 120.64 116.90 3kom n GLU 162 Ca 0.01 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.83 3kom n GLU 162 Cb 0.04 -0.36 0.63 0.00 -0.57 0.00 0.00 31.44 31.17 3kom n GLU 162 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3kom h GLY 163 N 0.94 0.00 2.00 0.62 0.00 -1.96 -1.73 103.07 102.94 3kom h GLY 163 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3kom h GLY 163 CO 0.00 0.00 -0.11 -0.24 0.00 0.00 0.00 176.54 176.19 3kom h VAL 164 N 0.00 0.58 -0.30 4.60 3.04 -1.93 -1.20 116.25 121.05 3kom h VAL 164 Ca -0.00 -0.47 -0.12 0.00 -1.01 0.00 0.00 66.70 65.09 3kom h VAL 164 Cb 0.22 1.30 -0.01 0.00 -2.01 0.00 0.00 31.29 30.80 3kom h VAL 164 CO 0.01 0.10 -0.32 0.77 -1.01 0.00 0.00 177.57 177.13 3kom h SER 165 N 0.00 0.66 -0.30 3.17 4.64 -1.55 -0.85 113.55 119.32 3kom h SER 165 Ca -0.00 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 3kom h SER 165 Cb 0.30 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3kom h SER 165 CO 0.01 0.93 0.16 -0.74 -0.87 0.00 0.00 176.83 176.33 3kom h HIS 166 N 0.54 0.42 0.12 4.77 6.17 -1.31 -0.34 115.15 125.53 3kom h HIS 166 Ca 0.06 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.12 3kom h HIS 166 Cb 0.81 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.61 3kom h HIS 166 CO 0.04 0.36 -0.06 0.93 0.71 0.00 0.00 177.93 179.91 3kom h GLU 167 N 0.36 -0.15 -0.39 5.26 5.08 -1.26 -1.57 114.58 121.91 3kom h GLU 167 Ca 0.11 0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 3kom h GLU 167 Cb 0.08 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3kom h GLU 167 CO -0.02 0.00 -0.37 0.00 -1.00 0.00 0.00 179.01 177.63 3kom h ALA 168 N 0.59 0.59 0.05 3.43 0.00 -1.13 -2.48 119.26 120.32 3kom h ALA 168 Ca -0.02 -0.45 -0.23 0.00 0.00 0.00 0.00 54.91 54.21 3kom h ALA 168 Cb 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kom h ALA 168 CO 0.03 0.68 -1.05 0.00 0.00 0.00 0.00 179.25 178.90 3kom h SER 170 N 0.08 0.02 -0.67 0.00 0.87 -1.30 -2.02 113.55 110.52 3kom h SER 170 Ca -0.07 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 3kom h SER 170 Cb 1.75 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.70 3kom h SER 170 CO 0.16 0.04 0.29 0.25 -0.53 0.00 0.00 176.83 177.04 3kom h LEU 171 N 0.10 0.91 -1.09 2.23 5.85 -1.37 -2.22 115.31 119.72 3kom h LEU 171 Ca 0.06 -0.16 0.12 0.00 0.84 0.00 0.00 57.88 58.75 3kom h LEU 171 Cb 0.05 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.77 3kom h LEU 171 CO -0.08 0.82 0.62 0.00 -0.34 0.00 0.00 178.44 179.45 3kom h ALA 172 N 1.13 1.60 -0.27 1.25 0.00 -0.84 -1.07 119.26 121.06 3kom h ALA 172 Ca 0.23 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3kom h ALA 172 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3kom h ALA 172 CO -0.02 0.16 -0.16 0.78 0.00 0.00 0.00 179.25 180.01 3kom h GLY 173 N 0.92 0.64 1.30 0.00 0.00 -1.05 -2.10 103.07 102.78 3kom h GLY 173 Ca 0.48 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 3kom h GLY 173 CO -0.25 0.54 0.25 -0.84 0.00 0.00 0.00 176.54 176.25 3kom h THR 174 N 0.33 1.22 0.00 4.70 2.02 -0.79 -2.71 112.91 117.67 3kom h THR 174 Ca 0.06 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.56 3kom h THR 174 Cb 0.68 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3kom h THR 174 CO 0.05 0.27 -0.07 0.18 0.37 0.00 0.00 175.52 176.32 3kom n LEU 175 N -4.32 0.14 -2.77 2.58 4.77 -0.46 -4.95 117.00 111.98 3kom n LEU 175 Ca 0.05 0.44 -0.13 0.00 -0.03 0.00 0.00 56.01 56.35 3kom n LEU 175 Cb 0.16 -0.45 0.07 0.00 -2.33 0.00 0.00 43.42 40.87 3kom n LEU 175 CO 0.39 -0.00 0.09 0.61 -1.33 0.00 0.00 177.39 177.14 3kom n GLY 176 N 1.48 -0.14 3.29 -0.72 0.00 -0.80 -4.89 105.19 103.41 3kom n GLY 176 Ca 0.07 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3kom n GLY 176 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kom n LEU 177 N -3.31 5.62 0.11 0.99 4.77 -1.16 -4.67 117.00 119.35 3kom n LEU 177 Ca -0.20 -4.12 0.11 0.00 -0.03 0.00 0.00 56.01 51.76 3kom n LEU 177 Cb 0.62 -1.68 0.46 0.00 -2.33 0.00 0.00 43.42 40.49 3kom n LEU 177 CO 0.45 0.59 0.83 -0.46 -1.33 0.00 0.00 177.39 177.47 3kom n ASN 178 N 6.99 0.55 -0.72 -1.43 0.23 -1.26 -1.89 115.26 117.73 3kom n ASN 178 Ca 0.47 0.63 0.12 0.00 -0.53 0.00 0.00 54.58 55.27 3kom n ASN 178 Cb 0.43 -0.75 0.34 0.00 -2.08 0.00 0.00 39.78 37.72 3kom n ASN 178 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3kom n LYS 179 N -2.11 1.95 -3.15 -3.83 5.02 -1.26 -4.65 118.16 110.14 3kom n LYS 179 Ca 0.02 -1.42 -0.40 0.00 -2.02 0.00 0.00 58.31 54.49 3kom n LYS 179 Cb 0.22 -1.44 -0.06 0.00 -0.02 0.00 0.00 35.03 33.72 3kom n LYS 179 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3kom s LEU 180 N -1.69 4.09 -0.15 -0.35 2.96 -0.79 -1.53 118.68 121.23 3kom s LEU 180 Ca 0.34 0.71 0.00 0.00 -0.22 0.00 0.00 54.13 54.97 3kom s LEU 180 Cb 0.20 -2.82 0.03 0.00 0.50 0.00 0.00 46.19 44.10 3kom s LEU 180 CO 0.29 -0.30 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.22 3kom s VAL 181 N 2.19 1.39 -0.03 1.68 1.01 -0.22 -1.62 120.40 124.79 3kom s VAL 181 Ca 0.26 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 3kom s VAL 181 Cb -0.16 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3kom s VAL 181 CO 0.09 0.38 0.01 0.00 0.00 0.00 0.00 175.10 175.58 3kom s ALA 182 N 1.55 3.32 -0.21 5.51 0.00 0.42 -1.76 121.76 130.59 3kom s ALA 182 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3kom s ALA 182 Cb -0.13 -1.43 0.02 0.00 0.00 0.00 0.00 23.12 21.59 3kom s ALA 182 CO -0.10 0.63 -0.13 -0.06 0.00 0.00 0.00 175.76 176.10 3kom s PHE 183 N -1.02 2.95 -0.23 0.00 0.40 0.11 -0.04 117.98 120.13 3kom s PHE 183 Ca 0.17 -1.64 -0.15 0.00 -0.60 0.00 0.00 56.93 54.71 3kom s PHE 183 Cb -0.11 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 3kom s PHE 183 CO 0.08 -0.77 0.39 -0.46 0.70 0.00 0.00 175.22 175.16 3kom s TRP 184 N 1.29 3.31 -1.08 0.36 -0.00 -0.17 -1.02 118.94 121.64 3kom s TRP 184 Ca 0.02 0.52 -0.22 0.00 -0.00 0.00 0.00 56.10 56.42 3kom s TRP 184 Cb -0.15 -2.55 0.02 0.00 -0.00 0.00 0.00 33.47 30.79 3kom s TRP 184 CO -0.08 -0.11 1.66 0.34 -0.00 0.00 0.00 176.95 178.76 3kom s ASP 185 N 1.31 6.18 -1.03 5.86 2.15 -0.42 -1.22 116.67 129.50 3kom s ASP 185 Ca 0.17 -1.58 -0.17 0.00 0.43 0.00 0.00 52.55 51.40 3kom s ASP 185 Cb -0.15 -2.57 0.14 0.00 -0.30 0.00 0.00 42.92 40.04 3kom s ASP 185 CO 0.09 -1.82 1.25 -0.62 -0.17 0.00 0.00 175.17 173.90 3kom s ASP 186 N 5.52 6.78 -0.25 -0.34 2.15 -0.07 -4.39 116.67 126.06 3kom s ASP 186 Ca 0.55 -2.36 0.10 0.00 0.43 0.00 0.00 52.55 51.28 3kom s ASP 186 Cb -0.00 -2.41 0.47 0.00 -0.30 0.00 0.00 42.92 40.68 3kom s ASP 186 CO -0.01 -0.97 1.37 -0.46 -0.17 0.00 0.00 175.17 174.92 3kom n ASN 187 N 6.35 2.28 -3.67 -0.34 0.23 -1.26 -1.98 115.26 116.87 3kom n ASN 187 Ca 0.29 -3.75 -0.16 0.00 -0.53 0.00 0.00 54.58 50.43 3kom n ASN 187 Cb 0.47 -0.59 -0.08 0.00 -2.08 0.00 0.00 39.78 37.50 3kom n ASN 187 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 3kom s ASN 188 N -2.75 0.96 0.00 0.53 0.01 -1.26 -4.67 114.94 107.76 3kom s ASN 188 Ca 0.42 -1.56 0.00 0.00 -0.71 0.00 0.00 52.86 51.01 3kom s ASN 188 Cb 0.39 0.51 0.00 0.00 0.41 0.00 0.00 41.25 42.55 3kom s ASN 188 CO -0.02 -1.02 0.69 -0.90 -1.51 0.00 0.00 177.10 174.34 3kom n ASP 194 N -1.02 0.00 0.27 -1.22 5.68 -1.26 -4.89 116.55 114.11 3kom n ASP 194 Ca 0.04 0.22 0.08 0.00 -0.50 0.00 0.00 54.79 54.64 3kom n ASP 194 Cb 0.63 -0.22 0.43 0.00 -1.14 0.00 0.00 41.12 40.82 3kom n ASP 194 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3kom h THR 195 N 0.00 0.00 -0.61 2.12 1.35 -1.98 -2.50 112.91 111.29 3kom h THR 195 Ca 0.00 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.00 3kom h THR 195 Cb 0.09 0.35 -0.03 0.00 -1.73 0.00 0.00 68.15 66.82 3kom h THR 195 CO 0.00 0.00 0.43 0.07 -0.25 0.00 0.00 175.52 175.77 3kom h LYS 196 N 0.00 0.19 0.00 4.72 2.10 -1.91 1.51 116.57 123.19 3kom h LYS 196 Ca 0.00 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 3kom h LYS 196 Cb 1.04 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 32.33 3kom h LYS 196 CO 0.00 0.12 -0.10 0.78 -2.00 0.00 0.00 179.45 178.25 3kom h GLY 197 N 0.19 0.00 0.00 0.07 0.00 -1.92 -3.35 103.07 98.06 3kom h GLY 197 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3kom h GLY 197 CO -0.05 0.00 0.00 -2.67 0.00 0.00 0.00 176.54 173.82 3kom n TRP 198 N -3.26 0.00 -3.53 5.60 2.14 -0.33 -5.03 117.44 113.02 3kom n TRP 198 Ca 0.00 0.00 -0.25 0.00 2.07 0.00 0.00 57.50 59.32 3kom n TRP 198 Cb 0.34 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 30.70 3kom n TRP 198 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 3kom s PHE 199 N -0.00 0.07 -0.01 -2.67 5.36 0.50 -4.98 117.98 116.25 3kom s PHE 199 Ca 0.00 -0.44 0.02 0.00 -0.96 0.00 0.00 56.93 55.55 3kom s PHE 199 Cb 0.00 -0.69 0.03 0.00 -0.34 0.00 0.00 43.02 42.02 3kom s PHE 199 CO 0.00 -0.72 0.96 -1.13 -1.46 0.00 0.00 175.22 172.87 3kom n SER 200 N 5.28 0.29 -4.60 6.13 3.41 -1.26 -3.96 113.62 118.91 3kom n SER 200 Ca -0.06 -2.00 -0.41 0.00 -0.26 0.00 0.00 58.87 56.14 3kom n SER 200 Cb 0.46 -0.20 0.01 0.00 -0.26 0.00 0.00 64.21 64.22 3kom n SER 200 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kom n ASP 201 N -0.17 1.05 -4.53 4.04 9.92 -1.26 -4.92 116.55 120.68 3kom n ASP 201 Ca 0.02 1.02 -0.42 0.00 -0.53 0.00 0.00 54.79 54.88 3kom n ASP 201 Cb 0.66 -1.33 -0.03 0.00 -0.64 0.00 0.00 41.12 39.78 3kom n ASP 201 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3kom s ASN 202 N -0.78 6.27 0.11 -2.24 3.84 -1.26 -4.91 114.94 115.98 3kom s ASN 202 Ca 0.64 -0.88 -0.15 0.00 0.21 0.00 0.00 52.86 52.68 3kom s ASN 202 Cb -0.56 -2.52 -0.05 0.00 -0.55 0.00 0.00 41.25 37.57 3kom s ASN 202 CO 0.56 -1.64 1.50 0.74 -2.79 0.00 0.00 177.10 175.47 3kom h THR 203 N 6.17 1.28 -0.89 -5.21 2.02 -1.99 -1.46 112.91 112.83 3kom h THR 203 Ca -0.15 -1.21 0.07 0.00 0.77 0.00 0.00 66.41 65.89 3kom h THR 203 Cb 1.04 1.34 -0.06 0.00 -1.74 0.00 0.00 68.15 68.73 3kom h THR 203 CO 1.28 0.39 0.56 -0.65 0.37 0.00 0.00 175.52 177.48 3kom h PRO 204 N 0.48 0.97 -0.67 6.66 0.11 -2.00 -0.43 132.00 137.12 3kom h PRO 204 Ca 0.08 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 3kom h PRO 204 Cb 0.64 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 3kom h PRO 204 CO 0.04 0.64 0.18 0.93 -0.21 0.00 0.00 178.00 179.58 3kom h GLU 205 N 1.00 1.07 -0.45 1.05 4.39 -1.93 -1.14 114.58 118.57 3kom h GLU 205 Ca 0.40 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 3kom h GLU 205 Cb 0.20 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3kom h GLU 205 CO -0.18 0.95 0.28 -0.09 -1.16 0.00 0.00 179.01 178.80 3kom h ARG 206 N 1.00 0.61 -0.03 2.33 2.43 -0.52 -1.64 114.38 118.56 3kom h ARG 206 Ca 0.21 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.19 3kom h ARG 206 Cb 0.35 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3kom h ARG 206 CO -0.00 0.44 -0.64 0.74 -1.51 0.00 0.00 179.97 179.00 3kom h PHE 207 N 0.60 0.15 -0.29 2.20 -1.00 -0.87 -2.21 116.94 115.53 3kom h PHE 207 Ca 0.16 -0.06 -0.06 0.00 2.81 0.00 0.00 57.97 60.83 3kom h PHE 207 Cb -0.02 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.50 3kom h PHE 207 CO -0.03 0.72 -0.07 0.00 -1.61 0.00 0.00 178.31 177.32 3kom h ARG 208 N 0.08 0.46 0.00 1.51 3.08 -1.07 -1.59 114.38 116.84 3kom h ARG 208 Ca -0.01 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 3kom h ARG 208 Cb 1.15 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 3kom h ARG 208 CO 0.09 0.54 -0.06 0.00 -1.07 0.00 0.00 179.97 179.47 3kom h ALA 209 N 1.50 1.51 -0.01 0.04 0.00 -0.68 0.22 119.26 121.83 3kom h ALA 209 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kom h ALA 209 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kom h ALA 209 CO 0.02 0.08 -0.03 0.66 0.00 0.00 0.00 179.25 179.98 3kom n TYR 210 N -3.90 0.00 -1.22 0.00 4.01 -0.67 -4.92 117.16 110.45 3kom n TYR 210 Ca -0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.70 3kom n TYR 210 Cb 0.15 -0.03 -0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3kom n TYR 210 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kom n GLY 211 N 1.15 0.43 3.87 2.72 0.00 0.06 -4.13 105.19 109.30 3kom n GLY 211 Ca 0.19 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 3kom n GLY 211 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kom s TRP 212 N -2.04 3.45 -0.06 1.61 0.52 -0.77 -4.60 118.94 117.06 3kom s TRP 212 Ca 0.00 1.04 -0.28 0.00 0.02 0.00 0.00 56.10 56.88 3kom s TRP 212 Cb 0.00 -2.43 -0.03 0.00 -1.15 0.00 0.00 33.47 29.87 3kom s TRP 212 CO 0.00 -0.04 0.91 -1.58 0.02 0.00 0.00 176.95 176.26 3kom s HIS 213 N -2.27 3.58 -0.13 -1.98 5.65 0.17 -4.38 115.29 115.94 3kom s HIS 213 Ca 0.51 1.54 0.01 0.00 0.25 0.00 0.00 55.06 57.37 3kom s HIS 213 Cb -0.10 -3.06 -0.00 0.00 -1.18 0.00 0.00 32.58 28.23 3kom s HIS 213 CO 0.29 -0.06 -0.18 0.08 -0.65 0.00 0.00 174.74 174.22 3kom s VAL 214 N 1.32 2.54 -0.40 0.89 1.01 -1.26 -0.93 120.40 123.57 3kom s VAL 214 Ca 0.47 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 3kom s VAL 214 Cb -0.19 -2.04 0.06 0.00 0.00 0.00 0.00 36.38 34.20 3kom s VAL 214 CO 0.22 0.53 0.24 -0.63 0.00 0.00 0.00 175.10 175.46 3kom s ILE 215 N 0.58 4.41 0.47 2.22 1.01 -0.06 -4.98 121.20 124.85 3kom s ILE 215 Ca -0.10 -1.15 -0.07 0.00 0.00 0.00 0.00 60.65 59.33 3kom s ILE 215 Cb -0.16 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 3kom s ILE 215 CO 0.03 -0.39 0.80 -1.61 0.00 0.00 0.00 174.94 173.78 3kom s GLU 216 N 1.49 3.63 -1.29 2.79 2.02 -1.26 -1.03 118.70 125.04 3kom s GLU 216 Ca 0.02 0.33 -0.03 0.00 0.02 0.00 0.00 54.97 55.31 3kom s GLU 216 Cb -0.21 -2.36 0.01 0.00 0.10 0.00 0.00 34.13 31.67 3kom s GLU 216 CO 0.04 -0.18 0.96 -1.71 0.02 0.00 0.00 175.26 174.40 3kom n ASN 217 N -1.97 -2.96 -4.65 -0.19 5.15 -1.23 -4.88 115.26 104.52 3kom n ASN 217 Ca 0.02 -0.67 -0.40 0.00 -0.60 0.00 0.00 54.58 52.93 3kom n ASN 217 Cb 0.55 -4.71 -0.07 0.00 -0.53 0.00 0.00 39.78 35.02 3kom n ASN 217 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kom s VAL 218 N -3.43 5.07 -0.35 3.44 1.01 -0.74 -4.96 120.40 120.45 3kom s VAL 218 Ca 0.18 1.02 -0.28 0.00 0.00 0.00 0.00 61.98 62.90 3kom s VAL 218 Cb -0.09 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 3kom s VAL 218 CO 0.76 0.14 1.81 -0.62 0.00 0.00 0.00 175.10 177.20 3kom s ASP 219 N 1.22 5.83 0.00 3.32 -1.08 -1.26 -0.75 116.67 123.96 3kom s ASP 219 Ca 0.25 1.25 0.25 0.00 -0.52 0.00 0.00 52.55 53.78 3kom s ASP 219 Cb -0.16 -2.53 1.50 0.00 -1.46 0.00 0.00 42.92 40.28 3kom s ASP 219 CO 0.10 -1.76 1.87 0.61 0.52 0.00 0.00 175.17 176.50 3kom n GLY 220 N 5.45 -0.81 0.60 2.66 0.00 -0.13 -2.03 105.19 110.92 3kom n GLY 220 Ca 0.23 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.15 3kom n GLY 220 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kom n HIS 221 N -1.02 0.46 -3.79 1.61 8.25 -1.26 -4.01 115.22 115.45 3kom n HIS 221 Ca 0.19 -0.54 -0.36 0.00 -0.26 0.00 0.00 57.72 56.75 3kom n HIS 221 Cb 0.09 -0.05 -0.12 0.00 1.12 0.00 0.00 29.99 31.03 3kom n HIS 221 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kom s ASP 222 N -1.09 5.20 0.27 0.41 -1.08 -0.86 -4.99 116.67 114.53 3kom s ASP 222 Ca 0.23 -1.63 -0.01 0.00 -0.52 0.00 0.00 52.55 50.62 3kom s ASP 222 Cb 0.13 -1.82 0.48 0.00 -1.46 0.00 0.00 42.92 40.25 3kom s ASP 222 CO 0.14 -0.43 1.85 -0.26 0.52 0.00 0.00 175.17 176.99 3kom h PHE 223 N 8.10 1.14 -0.38 -5.34 0.04 -1.91 -1.69 116.94 116.90 3kom h PHE 223 Ca -0.18 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.53 3kom h PHE 223 Cb 1.06 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 3kom h PHE 223 CO 0.58 0.51 -0.14 0.28 -0.60 0.00 0.00 178.31 178.94 3kom h VAL 224 N 1.05 1.28 -0.86 -0.55 2.07 -1.94 -1.95 116.25 115.35 3kom h VAL 224 Ca 0.46 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3kom h VAL 224 Cb 0.35 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3kom h VAL 224 CO -0.23 0.42 0.48 0.00 0.02 0.00 0.00 177.57 178.26 3kom h ALA 225 N 0.82 1.23 -0.45 1.67 0.00 -1.77 -1.61 119.26 119.15 3kom h ALA 225 Ca 0.09 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3kom h ALA 225 Cb 0.68 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3kom h ALA 225 CO 0.05 0.63 0.03 0.82 0.00 0.00 0.00 179.25 180.78 3kom h ILE 226 N 1.20 1.26 -0.46 0.00 2.04 -1.20 -2.10 117.51 118.25 3kom h ILE 226 Ca 0.30 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 3kom h ILE 226 Cb 0.01 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3kom h ILE 226 CO -0.05 0.34 0.23 -0.08 0.00 0.00 0.00 178.15 178.59 3kom h GLU 227 N 0.62 0.66 -0.99 2.37 4.81 -1.12 -1.38 114.58 119.55 3kom h GLU 227 Ca 0.13 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3kom h GLU 227 Cb 0.45 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 3kom h GLU 227 CO 0.02 0.55 0.66 0.87 -0.73 0.00 0.00 179.01 180.37 3kom h LYS 228 N 0.60 1.27 -0.56 1.92 1.57 -1.16 -1.23 116.57 118.98 3kom h LYS 228 Ca 0.16 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3kom h LYS 228 Cb 0.10 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 3kom h LYS 228 CO -0.02 0.84 0.25 0.00 -0.57 0.00 0.00 179.45 179.95 3kom h ALA 229 N 1.39 0.73 -0.71 3.86 0.00 -0.86 -1.11 119.26 122.55 3kom h ALA 229 Ca 0.38 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3kom h ALA 229 Cb -0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3kom h ALA 229 CO -0.10 0.31 0.25 0.82 0.00 0.00 0.00 179.25 180.54 3kom h ILE 230 N 0.77 1.25 -0.73 0.00 2.04 -0.94 0.04 117.51 119.94 3kom h ILE 230 Ca 0.19 -0.83 0.07 0.00 1.00 0.00 0.00 64.86 65.29 3kom h ILE 230 Cb 0.15 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 3kom h ILE 230 CO -0.02 0.33 0.41 0.78 0.00 0.00 0.00 178.15 179.64 3kom h ASN 231 N 1.02 0.59 -0.45 1.72 2.35 -0.89 0.35 115.58 120.28 3kom h ASN 231 Ca 0.23 0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.97 3kom h ASN 231 Cb 0.25 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3kom h ASN 231 CO -0.01 0.37 0.10 -0.08 -1.65 0.00 0.00 177.43 176.15 3kom h GLU 232 N 0.73 0.72 -0.85 0.81 4.81 -0.77 -2.52 114.58 117.51 3kom h GLU 232 Ca 0.33 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3kom h GLU 232 Cb 0.24 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 3kom h GLU 232 CO -0.21 0.73 0.56 0.00 -0.73 0.00 0.00 179.01 179.36 3kom h ALA 233 N 0.96 1.08 0.00 2.92 0.00 -0.40 -2.10 119.26 121.72 3kom h ALA 233 Ca 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3kom h ALA 233 Cb 0.34 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kom h ALA 233 CO 0.00 0.46 -0.07 0.45 0.00 0.00 0.00 179.25 180.09 3kom h HIS 234 N 1.13 0.00 0.00 0.00 3.86 -0.60 -2.33 115.15 117.21 3kom h HIS 234 Ca 0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 3kom h HIS 234 Cb -0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.37 3kom h HIS 234 CO -0.01 0.07 0.00 -1.13 0.86 0.00 0.00 177.93 177.72 3kom n SER 235 N -3.66 0.32 -4.69 2.45 3.41 -0.79 -4.84 113.62 105.83 3kom n SER 235 Ca -0.02 0.53 -0.42 0.00 -0.26 0.00 0.00 58.87 58.70 3kom n SER 235 Cb 0.18 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 3kom n SER 235 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3kom s GLN 236 N -3.05 4.23 0.01 4.33 -1.52 -0.88 -4.91 119.66 117.87 3kom s GLN 236 Ca 0.12 2.18 0.22 0.00 -1.95 0.00 0.00 55.36 55.92 3kom s GLN 236 Cb 0.16 -3.59 -0.20 0.00 -0.22 0.00 0.00 33.01 29.16 3kom s GLN 236 CO 0.53 -0.67 0.75 1.04 -0.25 0.00 0.00 175.29 176.69 3kom n GLN 237 N 5.52 0.40 0.00 2.91 1.13 -1.26 -4.75 117.38 121.34 3kom n GLN 237 Ca 0.15 -0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 3kom n GLN 237 Cb 0.42 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 29.22 3kom n GLN 237 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3kom n GLN 238 N -2.02 1.63 -4.59 -1.09 1.13 -1.26 -4.83 117.38 106.36 3kom n GLN 238 Ca -0.00 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 3kom n GLN 238 Cb 0.48 -0.80 -0.13 0.00 0.11 0.00 0.00 30.24 29.90 3kom n GLN 238 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3kom s LYS 239 N -1.61 1.86 0.69 -1.09 1.02 -1.26 -4.23 119.74 115.13 3kom s LYS 239 Ca 0.00 -1.10 -0.15 0.00 0.02 0.00 0.00 55.97 54.74 3kom s LYS 239 Cb 0.00 -2.09 0.01 0.00 -0.52 0.00 0.00 37.83 35.23 3kom s LYS 239 CO 0.00 0.51 1.13 -1.25 -0.92 0.00 0.00 175.35 174.82 3kom s PRO 240 N -1.65 2.58 -0.05 -1.68 0.04 -1.20 -4.27 135.00 128.77 3kom s PRO 240 Ca 0.15 1.46 0.05 0.00 0.04 0.00 0.00 61.00 62.69 3kom s PRO 240 Cb -0.10 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 3kom s PRO 240 CO 0.06 -1.43 -0.19 0.99 0.04 0.00 0.00 177.00 176.47 3kom s THR 241 N -2.30 2.64 -0.22 1.26 2.01 -0.64 -0.65 115.64 117.73 3kom s THR 241 Ca 0.68 -0.87 -0.05 0.00 0.31 0.00 0.00 61.69 61.77 3kom s THR 241 Cb -0.22 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.27 3kom s THR 241 CO 0.43 0.58 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.70 3kom s LEU 242 N -0.47 3.03 -0.33 4.42 2.96 -0.11 -0.44 118.68 127.76 3kom s LEU 242 Ca 0.06 -0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 53.50 3kom s LEU 242 Cb -0.12 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 3kom s LEU 242 CO 0.01 -0.01 0.23 -0.63 -1.32 0.00 0.00 176.35 174.63 3kom s ILE 243 N 1.45 5.28 -0.51 6.68 1.01 0.94 -0.89 121.20 135.16 3kom s ILE 243 Ca 0.05 -0.14 -0.20 0.00 0.00 0.00 0.00 60.65 60.37 3kom s ILE 243 Cb -0.14 -3.67 0.06 0.00 0.01 0.00 0.00 42.46 38.71 3kom s ILE 243 CO -0.01 0.05 0.66 0.00 0.00 0.00 0.00 174.94 175.64 3kom s LYS 246 N 1.59 4.13 0.17 0.00 -0.14 0.07 -0.89 119.74 124.67 3kom s LYS 246 Ca 0.03 1.52 0.04 0.00 -1.36 0.00 0.00 55.97 56.20 3kom s LYS 246 Cb -0.19 -3.80 -0.05 0.00 -1.68 0.00 0.00 37.83 32.11 3kom s LYS 246 CO 0.08 -0.84 -0.06 0.95 -0.76 0.00 0.00 175.35 174.72 3kom s THR 247 N 3.78 1.03 -0.33 2.17 -4.23 -0.84 -0.96 115.64 116.25 3kom s THR 247 Ca 0.55 -2.03 -0.09 0.00 -1.18 0.00 0.00 61.69 58.93 3kom s THR 247 Cb -0.20 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 71.64 3kom s THR 247 CO 0.17 -0.59 0.15 -0.69 -0.54 0.00 0.00 174.62 173.12 3kom s VAL 248 N -3.42 4.38 0.32 2.29 1.01 -1.26 -4.25 120.40 119.46 3kom s VAL 248 Ca 0.21 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 3kom s VAL 248 Cb 0.04 -3.34 -0.11 0.00 0.00 0.00 0.00 36.38 32.97 3kom s VAL 248 CO 0.03 -0.06 1.49 -0.51 0.00 0.00 0.00 175.10 176.04 3kom s ILE 249 N 1.55 2.27 -1.19 2.22 2.07 -1.26 -1.98 121.20 124.88 3kom s ILE 249 Ca 0.03 0.25 0.00 0.00 -1.41 0.00 0.00 60.65 59.52 3kom s ILE 249 Cb -0.18 -3.16 0.00 0.00 0.13 0.00 0.00 42.46 39.25 3kom s ILE 249 CO 0.05 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.74 3kom n GLY 250 N 1.43 0.58 3.64 1.50 0.00 -0.84 0.50 105.19 112.00 3kom n GLY 250 Ca 0.04 -0.41 -0.53 0.00 0.00 0.00 0.00 46.02 45.13 3kom n GLY 250 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kom n PHE 251 N -3.34 1.81 0.00 1.61 -0.00 -0.84 -1.82 117.46 114.88 3kom n PHE 251 Ca -0.14 0.52 0.00 0.00 -0.00 0.00 0.00 57.45 57.84 3kom n PHE 251 Cb 0.51 -2.42 0.00 0.00 -0.00 0.00 0.00 39.48 37.57 3kom n PHE 251 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3kom n GLY 252 N 3.25 2.63 3.47 7.13 0.00 -1.26 -4.79 105.19 115.61 3kom n GLY 252 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 3kom n GLY 252 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kom s SER 253 N -1.56 6.20 0.38 1.61 0.15 -0.76 -4.45 113.70 115.27 3kom s SER 253 Ca 0.00 -0.74 0.08 0.00 0.70 0.00 0.00 55.95 56.00 3kom s SER 253 Cb 0.00 -2.23 0.83 0.00 -1.71 0.00 0.00 66.02 62.90 3kom s SER 253 CO 0.00 -0.64 1.95 -0.65 1.20 0.00 0.00 173.24 175.10 3kom h PRO 254 N 8.77 0.64 0.09 5.44 0.11 -1.88 0.27 132.00 145.44 3kom h PRO 254 Ca -0.27 -0.04 -0.28 0.00 0.11 0.00 0.00 66.00 65.53 3kom h PRO 254 Cb 1.11 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3kom h PRO 254 CO 0.83 0.42 -1.38 0.93 -0.21 0.00 0.00 178.00 178.58 3kom h GLU 255 N 0.66 0.19 0.00 1.05 3.07 -1.95 -3.40 114.58 114.20 3kom h GLU 255 Ca 0.33 -0.32 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kom h GLU 255 Cb 0.42 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 3kom h GLU 255 CO -0.11 1.06 -0.94 1.63 -1.40 0.00 0.00 179.01 179.25 3kom n LYS 256 N -3.42 2.12 -1.68 2.33 4.76 -1.11 -4.98 118.16 116.18 3kom n LYS 256 Ca -0.12 -0.04 -0.46 0.00 -2.87 0.00 0.00 58.31 54.82 3kom n LYS 256 Cb 1.02 -1.10 -0.04 0.00 -1.84 0.00 0.00 35.03 33.07 3kom n LYS 256 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kom n ALA 257 N -1.53 1.24 -0.95 7.82 0.00 0.07 -2.61 120.51 124.54 3kom n ALA 257 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3kom n ALA 257 Cb 0.21 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.18 3kom n ALA 257 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kom n GLY 258 N 4.10 0.44 0.05 0.00 0.00 0.18 -4.97 105.19 104.99 3kom n GLY 258 Ca 0.20 -0.99 -0.02 0.00 0.00 0.00 0.00 46.02 45.22 3kom n GLY 258 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kom n THR 259 N -2.94 0.70 -0.16 2.61 -2.24 -1.07 -4.97 114.28 106.20 3kom n THR 259 Ca 0.00 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3kom n THR 259 Cb 0.02 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 3kom n THR 259 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kom n ALA 260 N -2.42 0.00 0.12 6.98 0.00 -1.26 -4.64 120.51 119.30 3kom n ALA 260 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 3kom n ALA 260 Cb 0.82 -0.32 0.12 0.00 0.00 0.00 0.00 19.45 20.06 3kom n ALA 260 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kom h SER 261 N 0.00 0.00 0.74 0.00 4.64 -1.93 -2.30 113.55 114.70 3kom h SER 261 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kom h SER 261 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kom h SER 261 CO 0.00 0.67 0.00 0.55 -0.87 0.00 0.00 176.83 177.18 3kom n VAL 262 N -3.64 0.79 1.38 0.95 3.14 -1.26 -1.05 118.33 118.64 3kom n VAL 262 Ca -0.01 0.16 0.15 0.00 -2.96 0.00 0.00 64.34 61.68 3kom n VAL 262 Cb 0.68 -0.98 0.73 0.00 -1.06 0.00 0.00 33.84 33.21 3kom n VAL 262 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 3kom n HIS 263 N -1.89 0.00 0.00 1.45 -0.00 -0.87 -1.90 115.22 112.01 3kom n HIS 263 Ca 0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.21 3kom n HIS 263 Cb 0.24 -0.30 0.00 0.00 -0.12 0.00 0.00 29.99 29.81 3kom n HIS 263 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3kom n GLY 264 N 1.31 0.74 3.63 1.57 0.00 -0.22 -4.90 105.19 107.32 3kom n GLY 264 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3kom n GLY 264 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kom n SER 265 N 0.00 0.41 -4.67 1.61 2.88 -1.14 -4.35 113.62 108.37 3kom n SER 265 Ca 0.00 0.55 -0.30 0.00 -1.33 0.00 0.00 58.87 57.79 3kom n SER 265 Cb 0.00 -1.44 0.16 0.00 -0.75 0.00 0.00 64.21 62.18 3kom n SER 265 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3kom s PRO 266 N -3.91 0.89 0.50 -1.46 0.02 -1.26 -4.64 135.00 125.14 3kom s PRO 266 Ca 0.70 1.11 -0.19 0.00 0.02 0.00 0.00 61.00 62.65 3kom s PRO 266 Cb -0.29 -1.74 -0.08 0.00 0.02 0.00 0.00 34.50 32.41 3kom s PRO 266 CO 0.54 -2.58 1.02 -0.51 -0.33 0.00 0.00 177.00 175.13 3kom s LEU 267 N -6.50 3.76 0.92 -5.54 1.02 -1.26 -5.00 118.68 106.07 3kom s LEU 267 Ca 0.65 1.80 -0.12 0.00 0.02 0.00 0.00 54.13 56.48 3kom s LEU 267 Cb -0.21 -4.54 0.15 0.00 0.02 0.00 0.00 46.19 41.61 3kom s LEU 267 CO 0.59 -0.74 1.12 -0.94 0.02 0.00 0.00 176.35 176.39 3kom s SER 268 N -2.36 3.36 0.30 2.29 1.04 -1.26 -4.77 113.70 112.29 3kom s SER 268 Ca 0.64 1.06 -0.01 0.00 0.48 0.00 0.00 55.95 58.12 3kom s SER 268 Cb -0.14 -1.67 0.47 0.00 0.10 0.00 0.00 66.02 64.77 3kom s SER 268 CO 0.24 -2.66 1.94 0.44 0.98 0.00 0.00 173.24 174.18 3kom h ASP 269 N -1.57 0.95 0.25 7.02 3.32 -2.00 -2.33 116.42 122.06 3kom h ASP 269 Ca -0.51 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.37 3kom h ASP 269 Cb 1.33 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 3kom h ASP 269 CO 0.60 0.65 -0.60 1.56 -1.72 0.00 0.00 179.24 179.74 3kom h GLN 270 N 1.10 0.35 -0.05 3.56 7.50 -2.00 -2.69 115.11 122.88 3kom h GLN 270 Ca 0.35 -0.24 -0.14 0.00 0.50 0.00 0.00 58.65 59.13 3kom h GLN 270 Cb 0.02 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.57 3kom h GLN 270 CO -0.11 0.84 -0.59 0.93 -1.50 0.00 0.00 178.83 178.41 3kom h GLU 271 N 0.26 0.18 -0.11 1.46 5.08 -1.86 -1.59 114.58 118.00 3kom h GLU 271 Ca -0.00 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3kom h GLU 271 Cb 1.12 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 3kom h GLU 271 CO 0.10 0.72 0.03 -0.09 -1.00 0.00 0.00 179.01 178.77 3kom h ARG 272 N 0.14 0.17 -0.62 2.33 1.12 -1.26 0.21 114.38 116.47 3kom h ARG 272 Ca -0.00 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 58.81 3kom h ARG 272 Cb 1.07 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.98 3kom h ARG 272 CO 0.09 0.32 0.30 0.00 -3.11 0.00 0.00 179.97 177.57 3kom h ALA 273 N 0.84 1.36 -0.47 2.80 0.00 -1.38 -0.61 119.26 121.80 3kom h ALA 273 Ca 0.03 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3kom h ALA 273 Cb 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kom h ALA 273 CO -0.00 0.50 -0.09 1.03 0.00 0.00 0.00 179.25 180.69 3kom h SER 274 N 0.87 0.90 -0.72 0.00 0.87 -1.11 -1.38 113.55 112.98 3kom h SER 274 Ca 0.22 -0.35 -0.02 0.00 -1.23 0.00 0.00 61.79 60.40 3kom h SER 274 Cb 0.09 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 3kom h SER 274 CO -0.03 1.04 0.36 0.00 -0.53 0.00 0.00 176.83 177.67 3kom h ALA 275 N 0.89 1.25 -0.36 6.23 0.00 -0.56 -1.25 119.26 125.47 3kom h ALA 275 Ca 0.12 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3kom h ALA 275 Cb 0.64 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3kom h ALA 275 CO 0.04 0.58 -0.20 0.00 0.00 0.00 0.00 179.25 179.67 3kom h ALA 276 N 1.36 0.98 0.12 0.00 0.00 -0.89 -2.00 119.26 118.83 3kom h ALA 276 Ca 0.25 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3kom h ALA 276 Cb 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kom h ALA 276 CO -0.03 0.60 -0.06 -0.22 0.00 0.00 0.00 179.25 179.54 3kom h LYS 277 N 0.60 -0.15 -0.70 0.00 1.63 -1.04 0.10 116.57 117.02 3kom h LYS 277 Ca 0.09 0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.00 3kom h LYS 277 Cb 0.68 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.30 3kom h LYS 277 CO 0.05 0.08 0.46 1.49 -3.45 0.00 0.00 179.45 178.08 3kom h GLU 278 N -0.37 0.54 -0.21 1.90 4.57 -1.10 -2.59 114.58 117.32 3kom h GLU 278 Ca -0.02 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3kom h GLU 278 Cb 0.31 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 3kom h GLU 278 CO 0.03 0.35 0.00 1.28 -1.18 0.00 0.00 179.01 179.49 3kom n LEU 279 N -4.49 3.04 -3.75 1.64 4.77 -0.76 -4.96 117.00 112.50 3kom n LEU 279 Ca 0.12 -1.29 -0.25 0.00 -0.03 0.00 0.00 56.01 54.55 3kom n LEU 279 Cb 0.36 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.37 3kom n LEU 279 CO 0.33 0.61 0.09 0.59 -1.33 0.00 0.00 177.39 177.67 3kom n ASN 280 N 1.25 -3.82 -4.57 -1.43 3.02 -0.70 -4.94 115.26 104.06 3kom n ASN 280 Ca 0.15 -0.73 -0.40 0.00 -0.03 0.00 0.00 54.58 53.57 3kom n ASN 280 Cb 0.54 -4.27 -0.09 0.00 -0.61 0.00 0.00 39.78 35.35 3kom n ASN 280 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3kom s TRP 281 N -3.42 3.21 -2.48 3.10 -0.11 0.27 -4.97 118.94 114.56 3kom s TRP 281 Ca 0.40 0.22 0.28 0.00 1.22 0.00 0.00 56.10 58.22 3kom s TRP 281 Cb -0.19 -2.74 1.07 0.00 -1.50 0.00 0.00 33.47 30.11 3kom s TRP 281 CO 0.80 -0.41 1.76 -0.25 -4.62 0.00 0.00 176.95 174.23 3kom n ASP 282 N 5.51 1.45 -4.67 5.86 8.00 -1.26 -4.66 116.55 126.78 3kom n ASP 282 Ca -0.07 -1.48 -0.32 0.00 0.71 0.00 0.00 54.79 53.63 3kom n ASP 282 Cb 0.50 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.51 3kom n ASP 282 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kom s TYR 283 N -2.01 3.04 1.03 1.24 2.02 -1.26 -5.12 117.35 116.30 3kom s TYR 283 Ca 0.38 0.06 -0.17 0.00 -0.37 0.00 0.00 57.07 56.97 3kom s TYR 283 Cb 0.21 -1.65 0.23 0.00 -0.40 0.00 0.00 41.96 40.34 3kom s TYR 283 CO 0.34 0.45 1.28 1.14 -1.57 0.00 0.00 175.55 177.19 3kom s GLN 284 N -1.57 0.11 0.08 -0.62 -2.07 -1.26 -4.88 119.66 109.45 3kom s GLN 284 Ca 0.19 -0.37 -0.35 0.00 -1.82 0.00 0.00 55.36 53.01 3kom s GLN 284 Cb -0.11 -1.78 -0.15 0.00 -1.09 0.00 0.00 33.01 29.88 3kom s GLN 284 CO 0.10 -2.78 1.53 0.00 -1.32 0.00 0.00 175.29 172.83 3kom n ALA 285 N -4.03 0.39 -0.79 2.60 0.00 -1.26 -1.44 120.51 115.98 3kom n ALA 285 Ca 0.15 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.05 3kom n ALA 285 Cb 0.59 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.79 3kom n ALA 285 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kom n PHE 286 N 3.51 0.00 -2.90 0.00 3.72 -1.26 -4.98 117.46 115.55 3kom n PHE 286 Ca 0.19 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.17 3kom n PHE 286 Cb 0.24 -0.96 -0.04 0.00 -0.94 0.00 0.00 39.48 37.78 3kom n PHE 286 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3kom s GLU 287 N -0.76 4.27 -0.13 -1.08 2.12 -0.52 -5.05 118.70 117.56 3kom s GLU 287 Ca 0.00 0.98 0.01 0.00 0.36 0.00 0.00 54.97 56.32 3kom s GLU 287 Cb 0.00 -3.59 0.02 0.00 0.26 0.00 0.00 34.13 30.82 3kom s GLU 287 CO 0.00 -0.35 -0.16 0.42 -0.54 0.00 0.00 175.26 174.63 3kom s ILE 288 N 2.24 1.61 0.64 -3.70 -1.09 -1.26 -4.68 121.20 114.96 3kom s ILE 288 Ca 0.37 -0.69 -0.14 0.00 -2.23 0.00 0.00 60.65 57.96 3kom s ILE 288 Cb -0.16 -1.49 -0.01 0.00 -1.58 0.00 0.00 42.46 39.22 3kom s ILE 288 CO 0.11 0.46 1.07 -2.16 -1.23 0.00 0.00 174.94 173.20 3kom s PRO 289 N 1.21 3.05 0.45 2.79 0.04 -1.26 -4.84 135.00 136.43 3kom s PRO 289 Ca -0.01 1.20 0.13 0.00 0.04 0.00 0.00 61.00 62.36 3kom s PRO 289 Cb -0.14 -2.00 1.00 0.00 0.04 0.00 0.00 34.50 33.40 3kom s PRO 289 CO -0.06 -1.03 2.02 1.96 0.04 0.00 0.00 177.00 179.93 3kom h GLN 290 N 0.02 0.12 -0.00 4.56 1.08 -2.00 -0.80 115.11 118.09 3kom h GLN 290 Ca -0.46 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 56.66 3kom h GLN 290 Cb 1.23 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 3kom h GLN 290 CO 0.56 0.20 -0.29 0.22 -0.95 0.00 0.00 178.83 178.57 3kom h ASP 291 N 0.12 0.01 -0.10 1.46 3.58 -1.99 0.96 116.42 120.45 3kom h ASP 291 Ca 0.03 -0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.35 3kom h ASP 291 Cb 0.21 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.26 3kom h ASP 291 CO 0.01 0.30 -0.42 0.58 -2.88 0.00 0.00 179.24 176.83 3kom h VAL 292 N 0.01 1.38 -0.84 2.25 2.07 -1.52 -2.71 116.25 116.89 3kom h VAL 292 Ca -0.00 -1.75 0.05 0.00 0.82 0.00 0.00 66.70 65.82 3kom h VAL 292 Cb 0.52 2.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 3kom h VAL 292 CO 0.04 0.52 0.55 1.88 0.02 0.00 0.00 177.57 180.58 3kom h TYR 293 N 0.05 0.97 -0.60 1.57 0.05 -1.19 -1.77 116.97 116.05 3kom h TYR 293 Ca -0.02 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3kom h TYR 293 Cb 1.05 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 38.45 3kom h TYR 293 CO 0.11 0.53 0.34 -0.22 -1.05 0.00 0.00 178.16 177.88 3kom h LYS 294 N 0.98 0.83 -0.34 4.88 3.64 -0.67 0.41 116.57 126.28 3kom h LYS 294 Ca 0.35 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 3kom h LYS 294 Cb 0.14 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3kom h LYS 294 CO -0.12 0.61 0.15 -0.92 -2.27 0.00 0.00 179.45 176.91 3kom h TYR 295 N 0.81 0.50 -0.00 1.91 3.20 -1.20 -3.32 116.97 118.87 3kom h TYR 295 Ca 0.21 -0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.87 3kom h TYR 295 Cb 0.02 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3kom h TYR 295 CO -0.01 0.45 -0.83 -1.49 -1.64 0.00 0.00 178.16 174.63 3kom h TRP 296 N 0.41 0.21 -2.85 -3.82 4.06 -0.89 -3.46 115.95 109.61 3kom h TRP 296 Ca 0.12 -0.11 -0.53 0.00 2.06 0.00 0.00 58.89 60.42 3kom h TRP 296 Cb 0.14 -0.03 0.03 0.00 -1.00 0.00 0.00 29.16 28.31 3kom h TRP 296 CO -0.01 0.90 0.86 0.34 -3.56 0.00 0.00 178.44 176.97 3kom s ASP 297 N -6.89 6.65 -0.13 -3.49 2.15 0.09 -4.16 116.67 110.90 3kom s ASP 297 Ca -0.02 2.52 0.15 0.00 0.43 0.00 0.00 52.55 55.63 3kom s ASP 297 Cb 0.11 -2.59 0.41 0.00 -0.30 0.00 0.00 42.92 40.55 3kom s ASP 297 CO 0.81 -0.79 1.31 0.00 -0.17 0.00 0.00 175.17 176.34 3kom n ALA 298 N 4.19 2.65 -0.07 3.66 0.00 -0.23 -4.73 120.51 125.99 3kom n ALA 298 Ca 0.13 -2.11 -0.13 0.00 0.00 0.00 0.00 53.44 51.33 3kom n ALA 298 Cb 0.40 -0.55 -0.06 0.00 0.00 0.00 0.00 19.45 19.24 3kom n ALA 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kom h ARG 299 N 1.33 0.46 -0.04 0.00 3.08 -1.90 -0.21 114.38 117.10 3kom h ARG 299 Ca 0.00 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 3kom h ARG 299 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 3kom h ARG 299 CO 0.13 0.80 -0.02 1.49 -1.07 0.00 0.00 179.97 181.30 3kom h GLU 300 N 0.14 0.09 -0.72 0.04 4.81 -1.96 -1.55 114.58 115.43 3kom h GLU 300 Ca 0.04 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3kom h GLU 300 Cb 0.70 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 3kom h GLU 300 CO 0.04 0.47 0.34 -0.22 -0.73 0.00 0.00 179.01 178.91 3kom h LYS 301 N -0.30 1.03 -0.33 1.92 3.64 -1.88 -2.17 116.57 118.48 3kom h LYS 301 Ca 0.01 -0.14 -0.15 0.00 -1.27 0.00 0.00 60.65 59.09 3kom h LYS 301 Cb 0.44 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3kom h LYS 301 CO 0.01 0.80 -0.39 0.78 -2.27 0.00 0.00 179.45 178.37 3kom h GLY 302 N 1.08 0.92 0.76 5.01 0.00 -0.95 -0.41 103.07 109.48 3kom h GLY 302 Ca 0.25 -0.98 0.05 0.00 0.00 0.00 0.00 47.33 46.65 3kom h GLY 302 CO -0.03 0.89 0.52 -1.61 0.00 0.00 0.00 176.54 176.31 3kom h GLN 303 N 0.63 0.94 -0.51 4.80 4.15 -1.11 -1.51 115.11 122.50 3kom h GLN 303 Ca 0.04 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.31 3kom h GLN 303 Cb 0.99 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.45 3kom h GLN 303 CO 0.09 0.62 -0.06 0.00 -1.93 0.00 0.00 178.83 177.56 3kom h ALA 304 N 1.39 0.93 -0.20 3.38 0.00 -1.04 -0.28 119.26 123.43 3kom h ALA 304 Ca 0.36 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3kom h ALA 304 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kom h ALA 304 CO -0.16 0.63 0.03 -0.07 0.00 0.00 0.00 179.25 179.68 3kom h LEU 305 N 0.82 0.33 -0.68 0.00 3.38 -0.78 -0.02 115.31 118.35 3kom h LEU 305 Ca 0.14 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 3kom h LEU 305 Cb 0.58 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3kom h LEU 305 CO 0.04 0.51 0.05 -0.08 0.09 0.00 0.00 178.44 179.05 3kom h GLU 306 N 0.12 1.07 -0.95 1.13 4.81 -1.21 -2.18 114.58 117.37 3kom h GLU 306 Ca 0.06 -0.31 0.02 0.00 -0.13 0.00 0.00 59.36 59.00 3kom h GLU 306 Cb 0.33 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 3kom h GLU 306 CO 0.01 1.01 0.63 0.00 -0.73 0.00 0.00 179.01 179.92 3kom h ALA 307 N 1.05 1.22 -0.37 2.92 0.00 -0.77 0.12 119.26 123.43 3kom h ALA 307 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kom h ALA 307 Cb 0.49 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kom h ALA 307 CO 0.02 0.56 0.21 -0.97 0.00 0.00 0.00 179.25 179.08 3kom h ASN 308 N 1.26 0.46 0.04 0.00 -1.24 -0.74 -2.55 115.58 112.80 3kom h ASN 308 Ca 0.36 -0.08 -0.05 0.00 0.71 0.00 0.00 56.30 57.24 3kom h ASN 308 Cb -0.09 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.83 3kom h ASN 308 CO -0.09 0.40 -0.14 -0.25 -1.29 0.00 0.00 177.43 176.06 3kom h TRP 309 N 0.48 0.24 0.00 0.67 7.01 -0.84 -2.11 115.95 121.39 3kom h TRP 309 Ca 0.13 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.09 3kom h TRP 309 Cb 0.04 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.03 3kom h TRP 309 CO -0.03 0.37 -0.08 0.37 -2.79 0.00 0.00 178.44 176.28 3kom h GLN 310 N 0.22 0.00 -0.72 2.65 5.75 -0.36 0.18 115.11 122.82 3kom h GLN 310 Ca 0.04 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.55 3kom h GLN 310 Cb 0.39 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.90 3kom h GLN 310 CO 0.02 0.08 0.48 0.78 -2.65 0.00 0.00 178.83 177.54 3kom h GLY 311 N 0.33 1.02 0.95 2.39 0.00 -1.21 0.63 103.07 107.17 3kom h GLY 311 Ca -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 3kom h GLY 311 CO 0.01 0.36 0.10 1.46 0.00 0.00 0.00 176.54 178.47 3kom h GLN 312 N 0.97 0.70 -0.62 4.80 1.08 -1.09 -2.27 115.11 118.68 3kom h GLN 312 Ca 0.27 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 57.26 3kom h GLN 312 Cb -0.10 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.21 3kom h GLN 312 CO -0.06 0.71 0.24 -0.09 -0.95 0.00 0.00 178.83 178.68 3kom h ARG 313 N 0.57 0.91 -0.47 1.46 2.43 -0.80 -2.25 114.38 116.24 3kom h ARG 313 Ca 0.14 -0.15 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 3kom h ARG 313 Cb 0.33 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3kom h ARG 313 CO 0.00 0.75 -0.02 -0.91 -1.51 0.00 0.00 179.97 178.29 3kom h ASN 314 N 0.89 0.75 0.41 -3.80 2.35 -0.78 -1.50 115.58 113.89 3kom h ASN 314 Ca 0.21 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 3kom h ASN 314 Cb 0.19 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 3kom h ASN 314 CO -0.02 0.83 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.44 3kom h LEU 315 N 0.73 0.00 0.00 1.61 3.38 -0.84 -2.48 115.31 117.71 3kom h LEU 315 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kom h LEU 315 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3kom h LEU 315 CO 0.02 0.08 -0.39 0.15 0.09 0.00 0.00 178.44 178.39 3kom h PHE 316 N 0.00 0.00 -3.27 1.13 3.57 -0.84 -3.46 116.94 114.07 3kom h PHE 316 Ca -0.00 0.00 -0.56 0.00 3.53 0.00 0.00 57.97 60.94 3kom h PHE 316 Cb 0.31 0.00 0.10 0.00 2.79 0.00 0.00 35.95 39.14 3kom h PHE 316 CO 0.00 0.00 0.65 1.63 -2.23 0.00 0.00 178.31 178.36 3kom n LYS 317 N -2.54 2.32 -0.86 1.11 5.02 -0.94 -1.74 118.16 120.54 3kom n LYS 317 Ca 0.03 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 3kom n LYS 317 Cb 0.49 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 3kom n LYS 317 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3kom n ASP 318 N 1.30 -1.85 -4.80 4.39 8.00 -1.26 -5.00 116.55 117.33 3kom n ASP 318 Ca 0.06 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.26 3kom n ASP 318 Cb 0.36 -1.51 0.09 0.00 -0.02 0.00 0.00 41.12 40.04 3kom n ASP 318 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3kom s SER 319 N -2.30 4.53 0.30 -2.24 1.04 -0.71 -4.92 113.70 109.39 3kom s SER 319 Ca 0.00 1.39 0.05 0.00 0.48 0.00 0.00 55.95 57.86 3kom s SER 319 Cb 0.00 -2.14 0.69 0.00 0.10 0.00 0.00 66.02 64.68 3kom s SER 319 CO 0.00 -1.96 1.80 -0.65 0.98 0.00 0.00 173.24 173.41 3kom h PRO 320 N -1.08 0.80 -0.44 4.02 0.11 -1.94 -1.87 132.00 131.60 3kom h PRO 320 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kom h PRO 320 Cb 1.26 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3kom h PRO 320 CO 0.58 0.53 0.00 1.63 -0.21 0.00 0.00 178.00 180.53 3kom n LYS 321 N -4.71 2.52 -0.13 1.05 5.02 -1.26 -4.53 118.16 116.13 3kom n LYS 321 Ca 0.22 -2.33 -0.05 0.00 -2.02 0.00 0.00 58.31 54.12 3kom n LYS 321 Cb 0.51 -1.51 0.03 0.00 -0.02 0.00 0.00 35.03 34.04 3kom n LYS 321 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3kom h PHE 322 N 4.35 0.27 -0.79 2.13 3.57 -1.61 -0.92 116.94 123.95 3kom h PHE 322 Ca 0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 3kom h PHE 322 Cb 0.98 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 3kom h PHE 322 CO 0.29 0.11 0.31 -0.44 -2.23 0.00 0.00 178.31 176.34 3kom h ASP 323 N 0.32 1.10 -0.50 0.41 3.32 -1.80 -1.43 116.42 117.84 3kom h ASP 323 Ca 0.19 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3kom h ASP 323 Cb 0.17 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3kom h ASP 323 CO -0.19 0.98 0.21 -0.08 -1.72 0.00 0.00 179.24 178.44 3kom h GLU 324 N 1.16 0.74 -0.10 3.56 4.81 -1.81 -0.89 114.58 122.05 3kom h GLU 324 Ca 0.26 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 3kom h GLU 324 Cb 0.23 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3kom h GLU 324 CO -0.02 0.65 -0.06 0.35 -0.73 0.00 0.00 179.01 179.20 3kom h PHE 325 N 0.67 -0.14 -0.63 0.92 3.57 -0.76 0.47 116.94 121.04 3kom h PHE 325 Ca 0.17 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.71 3kom h PHE 325 Cb 0.18 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 3kom h PHE 325 CO 0.00 -0.10 0.38 0.93 -2.23 0.00 0.00 178.31 177.30 3kom h GLU 326 N -0.06 0.72 -0.05 1.11 4.39 -1.17 -2.10 114.58 117.42 3kom h GLU 326 Ca 0.06 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 3kom h GLU 326 Cb 0.15 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3kom h GLU 326 CO -0.14 0.48 0.01 -0.09 -1.16 0.00 0.00 179.01 178.11 3kom h ARG 327 N 0.75 0.08 -0.29 2.33 2.43 -0.45 -1.62 114.38 117.60 3kom h ARG 327 Ca 0.26 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.36 3kom h ARG 327 Cb 0.04 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3kom h ARG 327 CO -0.11 0.28 -0.04 -0.39 -1.51 0.00 0.00 179.97 178.19 3kom h VAL 328 N -0.13 1.20 -0.39 0.20 -1.51 -0.84 -1.90 116.25 112.86 3kom h VAL 328 Ca 0.02 -0.81 -0.12 0.00 -1.23 0.00 0.00 66.70 64.55 3kom h VAL 328 Cb 0.23 1.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.40 3kom h VAL 328 CO -0.00 0.27 -0.24 -0.07 -1.23 0.00 0.00 177.57 176.30 3kom h LEU 329 N 0.44 0.82 -1.12 4.19 3.38 -1.27 -2.52 115.31 119.23 3kom h LEU 329 Ca 0.09 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3kom h LEU 329 Cb 0.36 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3kom h LEU 329 CO 0.02 1.03 0.00 0.77 0.09 0.00 0.00 178.44 180.34 3kom h SER 330 N 0.69 0.00 -0.12 -0.43 4.64 -0.73 -3.45 113.55 114.16 3kom h SER 330 Ca 0.09 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 3kom h SER 330 Cb 0.77 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 3kom h SER 330 CO 0.06 0.00 -0.05 0.29 -0.87 0.00 0.00 176.83 176.27 3kom n LYS 331 N -2.52 -0.57 -3.12 4.77 5.02 -0.77 -5.02 118.16 115.95 3kom n LYS 331 Ca 0.01 0.37 -0.33 0.00 -2.02 0.00 0.00 58.31 56.34 3kom n LYS 331 Cb 0.22 -3.97 -0.06 0.00 -0.02 0.00 0.00 35.03 31.20 3kom n LYS 331 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3kom s GLU 332 N -1.35 4.07 0.50 1.97 0.41 -1.16 -5.04 118.70 118.10 3kom s GLU 332 Ca 0.00 0.73 -0.14 0.00 -0.41 0.00 0.00 54.97 55.15 3kom s GLU 332 Cb 0.00 -2.54 -0.07 0.00 -1.78 0.00 0.00 34.13 29.74 3kom s GLU 332 CO 0.00 0.21 0.94 -0.51 -0.49 0.00 0.00 175.26 175.41 3kom s LEU 333 N -2.73 3.62 0.56 1.80 1.43 -1.26 -4.67 118.68 117.43 3kom s LEU 333 Ca 0.51 1.43 -0.19 0.00 -1.03 0.00 0.00 54.13 54.86 3kom s LEU 333 Cb -0.12 -4.37 -0.05 0.00 0.03 0.00 0.00 46.19 41.68 3kom s LEU 333 CO 0.18 -0.58 1.16 -2.16 0.23 0.00 0.00 176.35 175.19 3kom s PRO 334 N -4.17 3.20 0.35 1.29 0.04 -1.26 -4.91 135.00 129.53 3kom s PRO 334 Ca 0.56 1.71 0.05 0.00 0.04 0.00 0.00 61.00 63.36 3kom s PRO 334 Cb -0.10 -1.98 0.63 0.00 0.04 0.00 0.00 34.50 33.09 3kom s PRO 334 CO 0.34 -1.00 1.90 0.28 0.04 0.00 0.00 177.00 178.57 3kom h VAL 335 N 1.08 1.18 0.00 -0.36 2.07 -1.97 -2.39 116.25 115.86 3kom h VAL 335 Ca -0.50 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.33 3kom h VAL 335 Cb 1.28 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3kom h VAL 335 CO 0.56 0.24 0.00 0.61 0.02 0.00 0.00 177.57 179.00 3kom n GLY 336 N -0.98 -1.15 0.20 2.17 0.00 -1.26 -4.09 105.19 100.09 3kom n GLY 336 Ca 0.02 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 3kom n GLY 336 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kom h LEU 337 N 0.00 0.58 -0.59 0.99 5.85 -1.81 -2.58 115.31 117.74 3kom h LEU 337 Ca 0.00 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.60 3kom h LEU 337 Cb 0.21 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 3kom h LEU 337 CO 0.00 0.61 0.28 -0.08 -0.34 0.00 0.00 178.44 178.91 3kom h GLU 338 N 0.51 0.51 -0.59 1.25 4.57 -1.79 -0.32 114.58 118.71 3kom h GLU 338 Ca 0.13 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.22 3kom h GLU 338 Cb 0.23 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 3kom h GLU 338 CO -0.01 0.33 0.11 1.03 -1.18 0.00 0.00 179.01 179.30 3kom h SER 339 N 0.52 0.90 -0.51 1.04 0.87 -1.80 -0.76 113.55 113.81 3kom h SER 339 Ca 0.28 -0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.54 3kom h SER 339 Cb 0.25 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3kom h SER 339 CO -0.22 0.89 -0.11 0.00 -0.53 0.00 0.00 176.83 176.86 3kom h ALA 340 N 1.22 0.80 -0.21 6.23 0.00 -0.96 -0.29 119.26 126.06 3kom h ALA 340 Ca 0.19 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3kom h ALA 340 Cb 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kom h ALA 340 CO 0.01 0.66 -0.01 0.82 0.00 0.00 0.00 179.25 180.73 3kom h ILE 341 N 0.89 1.26 -0.87 0.00 2.04 -0.87 -1.67 117.51 118.30 3kom h ILE 341 Ca 0.14 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 3kom h ILE 341 Cb 0.67 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 3kom h ILE 341 CO 0.05 0.28 0.46 0.78 0.00 0.00 0.00 178.15 179.72 3kom h ASN 342 N 0.13 1.09 -0.85 1.72 2.35 -0.99 -1.39 115.58 117.63 3kom h ASN 342 Ca 0.06 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3kom h ASN 342 Cb 0.42 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 3kom h ASN 342 CO 0.01 0.89 0.53 0.44 -1.65 0.00 0.00 177.43 177.65 3kom h ASP 343 N 1.22 1.01 -0.35 5.81 3.32 -0.89 0.00 116.42 126.54 3kom h ASP 343 Ca 0.30 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3kom h ASP 343 Cb 0.05 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3kom h ASP 343 CO -0.05 0.76 0.16 0.22 -1.72 0.00 0.00 179.24 178.62 3kom h TYR 344 N 1.17 0.50 -0.67 4.55 5.03 -0.79 -1.50 116.97 125.26 3kom h TYR 344 Ca 0.31 -0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.57 3kom h TYR 344 Cb -0.08 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.02 3kom h TYR 344 CO -0.01 0.44 0.32 0.82 -1.32 0.00 0.00 178.16 178.42 3kom h ILE 345 N 0.42 1.23 -0.88 1.81 2.04 -0.99 -1.11 117.51 120.02 3kom h ILE 345 Ca 0.12 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.36 3kom h ILE 345 Cb 0.13 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 3kom h ILE 345 CO -0.01 0.26 0.58 0.00 0.00 0.00 0.00 178.15 178.99 3kom h ALA 346 N 1.15 1.40 -0.40 1.87 0.00 -0.80 -0.94 119.26 121.54 3kom h ALA 346 Ca 0.23 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3kom h ALA 346 Cb 0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3kom h ALA 346 CO -0.03 0.53 -0.20 0.66 0.00 0.00 0.00 179.25 180.22 3kom h SER 347 N 1.16 0.79 0.11 0.00 4.64 -0.53 -1.80 113.55 117.92 3kom h SER 347 Ca 0.34 -0.28 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 3kom h SER 347 Cb -0.06 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 3kom h SER 347 CO -0.09 0.98 -0.28 1.56 -0.87 0.00 0.00 176.83 178.13 3kom h GLN 348 N 0.69 0.28 -0.18 4.77 1.08 -0.56 -1.17 115.11 120.03 3kom h GLN 348 Ca 0.10 -0.10 -0.14 0.00 -1.45 0.00 0.00 58.65 57.06 3kom h GLN 348 Cb 0.70 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 3kom h GLN 348 CO 0.05 0.54 -0.50 -0.07 -0.95 0.00 0.00 178.83 177.91 3kom h LEU 349 N 0.25 0.52 -0.33 1.46 3.38 -0.84 -3.04 115.31 116.71 3kom h LEU 349 Ca 0.04 -0.26 -0.19 0.00 0.09 0.00 0.00 57.88 57.55 3kom h LEU 349 Cb 0.63 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3kom h LEU 349 CO 0.05 0.93 -0.70 -1.28 0.09 0.00 0.00 178.44 177.53 3kom h SER 350 N 0.38 0.72 -2.26 -0.43 0.87 -1.10 -3.40 113.55 108.34 3kom h SER 350 Ca 0.02 -0.45 -0.58 0.00 -1.23 0.00 0.00 61.79 59.55 3kom h SER 350 Cb 1.01 -0.21 -0.39 0.00 -0.44 0.00 0.00 62.40 62.37 3kom h SER 350 CO 0.09 1.21 -0.99 0.59 -0.53 0.00 0.00 176.83 177.20 3kom n ASN 351 N -3.91 0.13 -4.76 6.23 3.02 -0.46 -5.11 115.26 110.40 3kom n ASN 351 Ca -0.05 -2.58 -0.38 0.00 -0.03 0.00 0.00 54.58 51.54 3kom n ASN 351 Cb 0.69 -0.60 0.01 0.00 -0.61 0.00 0.00 39.78 39.28 3kom n ASN 351 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3kom s PRO 352 N -0.59 3.48 0.07 3.52 0.02 -1.15 -4.70 135.00 135.64 3kom s PRO 352 Ca 0.34 2.01 0.06 0.00 0.02 0.00 0.00 61.00 63.42 3kom s PRO 352 Cb 0.09 -2.35 -0.03 0.00 0.02 0.00 0.00 34.50 32.22 3kom s PRO 352 CO -0.16 -0.85 -0.15 0.14 -0.33 0.00 0.00 177.00 175.65 3kom s VAL 353 N -1.42 1.20 -0.49 3.83 -7.23 -1.26 -5.07 120.40 109.97 3kom s VAL 353 Ca 0.67 -1.30 -0.15 0.00 -1.81 0.00 0.00 61.98 59.40 3kom s VAL 353 Cb -0.35 -1.13 0.10 0.00 0.56 0.00 0.00 36.38 35.56 3kom s VAL 353 CO 0.42 -0.17 0.41 -0.75 -0.31 0.00 0.00 175.10 174.70 3kom s LYS 354 N -1.68 2.91 0.10 4.82 2.20 -1.26 -4.10 119.74 122.73 3kom s LYS 354 Ca -0.00 -1.52 -0.01 0.00 -0.36 0.00 0.00 55.97 54.07 3kom s LYS 354 Cb -0.10 -4.14 -0.04 0.00 -1.51 0.00 0.00 37.83 32.05 3kom s LYS 354 CO 0.02 -1.14 0.03 0.14 -0.36 0.00 0.00 175.35 174.05 3kom s VAL 355 N 1.58 0.15 0.59 4.02 -7.23 -1.13 -4.74 120.40 113.64 3kom s VAL 355 Ca 0.04 -1.84 -0.18 0.00 -1.81 0.00 0.00 61.98 58.19 3kom s VAL 355 Cb -0.26 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 3kom s VAL 355 CO 0.04 -0.67 1.11 0.00 -0.31 0.00 0.00 175.10 175.27 3kom s ALA 356 N -3.99 2.63 -0.19 1.32 0.00 -1.26 -1.34 121.76 118.92 3kom s ALA 356 Ca 0.17 0.67 0.29 0.00 0.00 0.00 0.00 51.96 53.09 3kom s ALA 356 Cb 0.07 -3.33 1.13 0.00 0.00 0.00 0.00 23.12 21.00 3kom s ALA 356 CO -0.03 -0.93 1.85 1.79 0.00 0.00 0.00 175.76 178.44 3kom h THR 357 N 0.72 0.00 -0.72 0.00 1.35 -1.76 -1.00 112.91 111.51 3kom h THR 357 Ca -0.48 -0.44 -0.05 0.00 -0.55 0.00 0.00 66.41 64.88 3kom h THR 357 Cb 1.25 1.35 -0.03 0.00 -1.73 0.00 0.00 68.15 68.99 3kom h THR 357 CO 0.56 0.00 0.26 0.08 -0.25 0.00 0.00 175.52 176.17 3kom h ARG 358 N 0.00 1.08 -0.23 4.72 0.11 -1.85 0.35 114.38 118.56 3kom h ARG 358 Ca 0.00 -0.20 -0.19 0.00 0.10 0.00 0.00 59.98 59.69 3kom h ARG 358 Cb 0.51 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.42 3kom h ARG 358 CO 0.00 0.89 -0.60 -0.22 0.10 0.00 0.00 179.97 180.14 3kom h LYS 359 N 1.05 0.78 -0.96 0.08 1.63 -1.57 -2.41 116.57 115.16 3kom h LYS 359 Ca 0.24 -0.53 0.08 0.00 -0.85 0.00 0.00 60.65 59.60 3kom h LYS 359 Cb 0.24 0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.88 3kom h LYS 359 CO -0.02 1.15 0.62 0.00 -3.45 0.00 0.00 179.45 177.75 3kom h ALA 360 N 0.73 1.50 -0.35 5.00 0.00 -0.95 -2.37 119.26 122.83 3kom h ALA 360 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3kom h ALA 360 Cb 1.20 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3kom h ALA 360 CO 0.13 0.32 -0.08 1.03 0.00 0.00 0.00 179.25 180.65 3kom h SER 361 N 1.04 0.68 0.00 0.00 0.87 -0.77 -1.46 113.55 113.91 3kom h SER 361 Ca 0.43 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3kom h SER 361 Cb 0.30 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3kom h SER 361 CO -0.19 0.88 0.00 1.67 -0.53 0.00 0.00 176.83 178.66 3kom n GLN 362 N -4.41 0.00 0.00 2.24 7.27 -0.89 -1.04 117.38 120.55 3kom n GLN 362 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 3kom n GLN 362 Cb 0.34 -1.33 0.00 0.00 2.41 0.00 0.00 30.24 31.65 3kom n GLN 362 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3kom n VAL 364 N 0.85 0.00 0.22 1.69 0.31 -0.55 -1.97 118.33 118.89 3kom n VAL 364 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 3kom n VAL 364 Cb 0.00 0.00 0.53 0.00 -0.91 0.00 0.00 33.84 33.46 3kom n VAL 364 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3kom h LEU 365 N 0.00 0.00 -0.53 7.52 3.38 -1.36 -0.82 115.31 123.50 3kom h LEU 365 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3kom h LEU 365 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3kom h LEU 365 CO 0.00 0.24 0.31 -0.08 0.09 0.00 0.00 178.44 179.00 3kom h GLU 366 N 0.00 0.60 -0.02 1.13 4.57 -1.66 0.39 114.58 119.59 3kom h GLU 366 Ca -0.00 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 3kom h GLU 366 Cb 0.54 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3kom h GLU 366 CO 0.03 0.40 -0.01 0.28 -1.18 0.00 0.00 179.01 178.53 3kom h VAL 367 N 0.62 1.30 -0.20 0.32 2.07 -1.52 -2.82 116.25 116.01 3kom h VAL 367 Ca 0.22 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 3kom h VAL 367 Cb 0.04 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3kom h VAL 367 CO -0.10 0.24 -0.01 -0.07 0.02 0.00 0.00 177.57 177.65 3kom h LEU 368 N -0.31 0.36 -0.87 2.57 3.38 -1.07 -3.06 115.31 116.31 3kom h LEU 368 Ca 0.01 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.54 3kom h LEU 368 Cb 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3kom h LEU 368 CO 0.00 0.59 -0.46 0.00 0.09 0.00 0.00 178.44 178.66 3kom h LYS 370 N 0.19 0.46 -1.01 0.00 3.64 -1.46 -3.39 116.57 115.00 3kom h LYS 370 Ca 0.01 -0.03 -0.62 0.00 -1.27 0.00 0.00 60.65 58.74 3kom h LYS 370 Cb 0.89 -0.10 -0.29 0.00 -0.41 0.00 0.00 32.23 32.32 3kom h LYS 370 CO 0.07 0.31 0.80 0.09 -2.27 0.00 0.00 179.45 178.45 3kom n ASN 371 N -4.48 6.57 0.00 4.20 3.02 -0.67 -5.13 115.26 118.78 3kom n ASN 371 Ca 0.10 -3.72 0.00 0.00 -0.03 0.00 0.00 54.58 50.93 3kom n ASN 371 Cb 0.34 -0.94 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 3kom n ASN 371 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3kom n PRO 373 N -0.95 2.44 -2.35 3.52 -0.04 -1.26 -4.79 135.00 131.57 3kom n PRO 373 Ca 0.61 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.72 3kom n PRO 373 Cb 0.94 -0.20 -0.03 0.00 -0.04 0.00 0.00 33.50 34.16 3kom n PRO 373 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3kom s GLU 374 N 0.00 3.22 0.00 0.54 1.03 -1.26 -5.02 118.70 117.21 3kom s GLU 374 Ca 0.00 -1.07 0.00 0.00 0.03 0.00 0.00 54.97 53.93 3kom s GLU 374 Cb 0.00 -5.30 0.00 0.00 -0.80 0.00 0.00 34.13 28.03 3kom s GLU 374 CO 0.00 -2.80 0.00 0.34 -1.33 0.00 0.00 175.26 171.47 3kom n PHE 376 N 11.00 0.00 -2.62 4.83 7.35 -0.60 -0.55 117.46 136.87 3kom n PHE 376 Ca 0.40 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.87 3kom n PHE 376 Cb 0.48 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.37 3kom n PHE 376 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3kom s GLY 377 N 0.00 1.81 0.01 7.13 0.00 -0.76 -2.03 107.32 113.48 3kom s GLY 377 Ca 0.00 -1.43 -0.29 0.00 0.00 0.00 0.00 44.72 43.00 3kom s GLY 377 CO 0.00 -1.07 1.25 -0.32 0.00 0.00 0.00 173.10 172.95 3kom s GLY 378 N -4.51 -0.26 0.04 0.20 0.00 -0.77 -1.04 107.32 100.98 3kom s GLY 378 Ca 0.60 0.35 -0.14 0.00 0.00 0.00 0.00 44.72 45.52 3kom s GLY 378 CO 0.40 2.10 0.32 -1.35 0.00 0.00 0.00 173.10 174.57 3kom s SER 379 N -3.29 -0.15 -0.86 1.64 1.04 -1.04 -1.62 113.70 109.43 3kom s SER 379 Ca 0.20 -0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.48 3kom s SER 379 Cb 0.02 0.37 0.31 0.00 0.10 0.00 0.00 66.02 66.82 3kom s SER 379 CO -0.02 -0.62 1.37 0.00 0.98 0.00 0.00 173.24 174.96 3kom n ALA 380 N 0.58 5.26 -3.25 5.32 0.00 -0.47 -1.00 120.51 126.94 3kom n ALA 380 Ca -0.19 -4.70 -0.04 0.00 0.00 0.00 0.00 53.44 48.51 3kom n ALA 380 Cb 0.59 -1.64 -0.01 0.00 0.00 0.00 0.00 19.45 18.39 3kom n ALA 380 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kom n ASP 381 N 0.26 -0.20 -1.69 0.00 3.85 -1.20 -4.38 116.55 113.19 3kom n ASP 381 Ca 0.36 -1.45 -0.15 0.00 -0.71 0.00 0.00 54.79 52.84 3kom n ASP 381 Cb 0.33 0.43 0.17 0.00 -1.35 0.00 0.00 41.12 40.70 3kom n ASP 381 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3kom n LEU 382 N 0.00 5.39 0.00 -2.12 4.77 -1.26 -4.24 117.00 119.54 3kom n LEU 382 Ca 0.01 -3.87 0.00 0.00 -0.03 0.00 0.00 56.01 52.12 3kom n LEU 382 Cb 0.13 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 3kom n LEU 382 CO 0.07 1.29 0.00 -1.20 -1.33 0.00 0.00 177.39 176.22 3kom n SER 385 N -1.08 0.00 -4.58 -1.43 7.64 -1.26 -5.14 113.62 107.77 3kom n SER 385 Ca 0.46 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.97 3kom n SER 385 Cb 1.19 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.36 3kom n SER 385 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3kom s ASN 386 N 0.00 6.10 -1.49 6.43 3.84 -1.26 -4.21 114.94 124.35 3kom s ASN 386 Ca 0.00 -2.03 0.00 0.00 0.21 0.00 0.00 52.86 51.04 3kom s ASN 386 Cb 0.00 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.12 3kom s ASN 386 CO 0.00 -1.95 0.00 0.59 -2.79 0.00 0.00 177.10 172.95 3kom n ASN 387 N 10.82 -4.92 0.02 -4.21 4.13 -1.26 -4.87 115.26 114.96 3kom n ASN 387 Ca 0.46 0.08 0.12 0.00 1.68 0.00 0.00 54.58 56.91 3kom n ASN 387 Cb 0.47 -4.00 0.15 0.00 -1.54 0.00 0.00 39.78 34.86 3kom n ASN 387 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3kom n THR 388 N -3.69 0.10 -3.54 3.41 -2.24 -1.26 -3.75 114.28 103.31 3kom n THR 388 Ca -0.19 -0.10 -0.32 0.00 -2.27 0.00 0.00 64.05 61.17 3kom n THR 388 Cb 0.63 0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 69.05 3kom n THR 388 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3kom s ASN 389 N -3.42 6.57 0.46 3.42 4.22 -1.26 -4.75 114.94 120.17 3kom s ASN 389 Ca 0.08 0.77 0.05 0.00 -2.14 0.00 0.00 52.86 51.62 3kom s ASN 389 Cb 0.16 -2.16 -0.03 0.00 1.28 0.00 0.00 41.25 40.49 3kom s ASN 389 CO 0.74 0.01 0.14 -1.66 -2.04 0.00 0.00 177.10 174.28 3kom s TRP 390 N -1.71 2.26 0.50 1.54 1.48 -1.26 -4.93 118.94 116.82 3kom s TRP 390 Ca 0.43 -0.73 0.19 0.00 -1.06 0.00 0.00 56.10 54.93 3kom s TRP 390 Cb -0.12 -1.83 1.25 0.00 -1.16 0.00 0.00 33.47 31.61 3kom s TRP 390 CO 0.22 0.15 2.04 0.66 -4.06 0.00 0.00 176.95 175.97 3kom h SER 391 N 1.38 0.11 -0.58 -2.66 4.64 -1.95 -0.21 113.55 114.28 3kom h SER 391 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3kom h SER 391 Cb 1.27 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3kom h SER 391 CO 0.71 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.35 3kom n GLY 392 N -1.58 2.20 3.74 -0.77 0.00 -1.26 -4.95 105.19 102.57 3kom n GLY 392 Ca 0.06 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 3kom n GLY 392 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kom s SER 393 N -0.88 6.54 -0.21 1.61 0.01 -0.09 -4.94 113.70 115.74 3kom s SER 393 Ca 0.43 2.74 0.01 0.00 1.31 0.00 0.00 55.95 60.44 3kom s SER 393 Cb 0.26 -2.62 0.05 0.00 0.21 0.00 0.00 66.02 63.93 3kom s SER 393 CO 0.23 -0.82 -0.08 -0.69 0.41 0.00 0.00 173.24 172.29 3kom s VAL 394 N 0.43 1.55 -0.08 3.43 1.01 -1.26 -4.99 120.40 120.50 3kom s VAL 394 Ca 0.65 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 3kom s VAL 394 Cb -0.45 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3kom s VAL 394 CO 0.40 0.07 0.97 0.26 0.00 0.00 0.00 175.10 176.80 3kom s TRP 395 N 1.42 3.56 0.55 5.22 0.52 -1.26 -1.34 118.94 127.61 3kom s TRP 395 Ca -0.03 1.58 0.22 0.00 0.02 0.00 0.00 56.10 57.90 3kom s TRP 395 Cb -0.17 -3.13 1.50 0.00 -1.15 0.00 0.00 33.47 30.52 3kom s TRP 395 CO -0.07 -0.14 2.17 1.25 0.02 0.00 0.00 176.95 180.18 3kom h LEU 396 N 7.59 0.00 -1.74 2.99 5.85 -1.08 -0.74 115.31 128.18 3kom h LEU 396 Ca -0.35 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.44 3kom h LEU 396 Cb 1.17 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 3kom h LEU 396 CO 0.82 0.00 0.29 0.78 -0.34 0.00 0.00 178.44 179.98 3kom h ASN 397 N 0.00 0.28 0.00 1.25 2.35 -1.92 -3.21 115.58 114.33 3kom h ASN 397 Ca 0.03 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.46 3kom h ASN 397 Cb 0.12 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.37 3kom h ASN 397 CO -0.00 0.18 -2.18 0.59 -1.65 0.00 0.00 177.43 174.37 3kom n ASN 398 N -4.47 0.93 -3.75 5.81 5.03 -0.60 -5.03 115.26 113.17 3kom n ASN 398 Ca 0.06 -0.01 -0.13 0.00 0.87 0.00 0.00 54.58 55.36 3kom n ASN 398 Cb 0.26 0.80 -0.14 0.00 -1.02 0.00 0.00 39.78 39.69 3kom n ASN 398 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3kom s THR 399 N -2.42 -0.04 -0.02 3.41 2.01 -0.39 -5.04 115.64 113.17 3kom s THR 399 Ca -0.10 0.14 -0.18 0.00 0.31 0.00 0.00 61.69 61.86 3kom s THR 399 Cb 0.05 -0.29 -0.33 0.00 0.01 0.00 0.00 72.50 71.94 3kom s THR 399 CO 0.68 0.06 0.89 -0.61 -0.69 0.00 0.00 174.62 174.95 3kom h GLN 400 N 7.01 0.42 -6.06 4.92 4.15 -1.85 -3.34 115.11 120.36 3kom h GLN 400 Ca -0.39 -0.72 -0.57 0.00 0.77 0.00 0.00 58.65 57.73 3kom h GLN 400 Cb 1.15 0.27 -0.01 0.00 0.21 0.00 0.00 27.48 29.10 3kom h GLN 400 CO 0.40 1.35 1.42 -1.21 -1.93 0.00 0.00 178.83 178.86 3kom s GLU 401 N -2.53 3.08 -0.31 1.69 0.41 -1.26 -2.65 118.70 117.13 3kom s GLU 401 Ca -0.12 1.66 0.00 0.00 -0.41 0.00 0.00 54.97 56.10 3kom s GLU 401 Cb 0.03 -4.33 0.00 0.00 -1.78 0.00 0.00 34.13 28.05 3kom s GLU 401 CO 0.88 -2.16 0.00 0.41 -0.49 0.00 0.00 175.26 173.90 3kom n GLY 402 N 5.65 0.61 3.70 -1.39 0.00 -1.26 -4.98 105.19 107.52 3kom n GLY 402 Ca 0.27 -0.77 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 3kom n GLY 402 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kom n ALA 403 N 1.05 1.93 -1.72 4.61 0.00 -1.08 -4.66 120.51 120.63 3kom n ALA 403 Ca -0.03 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3kom n ALA 403 Cb 0.11 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.16 3kom n ALA 403 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3kom n ASN 404 N 2.73 0.00 -3.67 0.00 0.23 -0.45 -4.95 115.26 109.15 3kom n ASN 404 Ca 0.12 -1.72 -0.15 0.00 -0.53 0.00 0.00 54.58 52.31 3kom n ASN 404 Cb 0.33 -0.14 -0.08 0.00 -2.08 0.00 0.00 39.78 37.81 3kom n ASN 404 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3kom s TYR 405 N 0.00 -0.41 -0.03 -2.53 6.14 -1.07 -1.83 117.35 117.60 3kom s TYR 405 Ca 0.00 0.77 -0.00 0.00 0.64 0.00 0.00 57.07 58.47 3kom s TYR 405 Cb 0.00 0.22 0.03 0.00 0.42 0.00 0.00 41.96 42.63 3kom s TYR 405 CO 0.00 -0.44 0.02 -1.17 0.64 0.00 0.00 175.55 174.60 3kom s LEU 406 N -0.97 0.88 -0.32 6.97 2.96 -0.20 -0.77 118.68 127.22 3kom s LEU 406 Ca -0.10 -0.00 -0.29 0.00 -0.22 0.00 0.00 54.13 53.52 3kom s LEU 406 Cb -0.03 -0.20 0.02 0.00 0.50 0.00 0.00 46.19 46.47 3kom s LEU 406 CO 0.05 -0.15 1.07 -0.44 -1.32 0.00 0.00 176.35 175.57 3kom s SER 407 N 1.37 6.93 0.00 3.68 0.01 -1.26 -2.49 113.70 121.94 3kom s SER 407 Ca -0.05 1.04 0.29 0.00 1.31 0.00 0.00 55.95 58.54 3kom s SER 407 Cb -0.13 -2.54 1.30 0.00 0.21 0.00 0.00 66.02 64.86 3kom s SER 407 CO -0.03 -0.88 1.89 -1.22 0.41 0.00 0.00 173.24 173.42 3kom n TYR 408 N 6.87 0.00 -4.51 2.43 4.02 -0.17 -4.93 117.16 120.87 3kom n TYR 408 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.01 3kom n TYR 408 Cb 0.47 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 3kom n TYR 408 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kom n GLY 409 N 1.21 -1.18 3.17 2.72 0.00 -1.26 -4.32 105.19 105.53 3kom n GLY 409 Ca 0.17 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 3kom n GLY 409 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kom n VAL 410 N -0.76 4.29 -3.08 1.61 0.31 -1.26 -3.26 118.33 116.18 3kom n VAL 410 Ca 0.00 -4.54 -0.18 0.00 -0.01 0.00 0.00 64.34 59.61 3kom n VAL 410 Cb 0.00 -2.41 -0.02 0.00 -0.91 0.00 0.00 33.84 30.50 3kom n VAL 410 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kom n ARG 411 N 4.82 0.85 -0.13 5.55 1.74 -1.26 -5.01 116.66 123.21 3kom n ARG 411 Ca 0.39 -2.94 -0.10 0.00 -0.77 0.00 0.00 57.85 54.43 3kom n ARG 411 Cb 0.40 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 3kom n ARG 411 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3kom h GLU 412 N 3.53 0.64 -0.11 5.56 3.07 -1.89 -3.14 114.58 122.24 3kom h GLU 412 Ca 0.03 -0.19 -0.03 0.00 -0.50 0.00 0.00 59.36 58.67 3kom h GLU 412 Cb 0.96 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.80 3kom h GLU 412 CO 0.42 0.73 -0.06 0.35 -1.40 0.00 0.00 179.01 179.05 3kom h PHE 413 N 0.47 0.27 0.00 4.33 3.57 -1.91 -1.95 116.94 121.72 3kom h PHE 413 Ca 0.11 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3kom h PHE 413 Cb 0.43 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.11 3kom h PHE 413 CO 0.03 0.59 0.00 0.41 -2.23 0.00 0.00 178.31 177.11 3kom n GLY 414 N 0.03 0.00 0.01 2.40 0.00 -1.19 -1.23 105.19 105.22 3kom n GLY 414 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3kom n GLY 414 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kom n ALA 416 N 0.72 0.00 0.09 4.61 0.00 -0.73 -0.70 120.51 124.49 3kom n ALA 416 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3kom n ALA 416 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 3kom n ALA 416 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kom h ALA 417 N 0.00 0.82 0.00 0.00 0.00 -1.45 -1.93 119.26 116.70 3kom h ALA 417 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3kom h ALA 417 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kom h ALA 417 CO 0.00 0.76 0.00 -0.89 0.00 0.00 0.00 179.25 179.12 3kom n ILE 418 N -3.83 0.36 0.00 0.00 5.41 0.12 -2.63 119.36 118.79 3kom n ILE 418 Ca -0.02 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.70 3kom n ILE 418 Cb 0.64 -0.73 0.00 0.00 -0.71 0.00 0.00 39.64 38.85 3kom n ILE 418 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3kom n ASN 420 N 0.98 0.00 -0.17 4.38 3.02 -0.73 -1.00 115.26 121.74 3kom n ASN 420 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 3kom n ASN 420 Cb 0.16 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 3kom n ASN 420 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3kom h GLY 421 N 0.00 1.08 1.02 7.41 0.00 -1.68 -1.44 103.07 109.45 3kom h GLY 421 Ca 0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 47.33 46.42 3kom h GLY 421 CO 0.00 0.82 0.45 1.41 0.00 0.00 0.00 176.54 179.22 3kom h LEU 422 N 0.86 1.03 -0.27 3.11 3.38 -1.16 -0.66 115.31 121.59 3kom h LEU 422 Ca 0.13 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3kom h LEU 422 Cb 0.71 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3kom h LEU 422 CO 0.05 0.83 0.06 -1.28 0.09 0.00 0.00 178.44 178.19 3kom h SER 423 N 1.15 0.42 -0.22 -0.43 0.87 -1.77 -2.76 113.55 110.81 3kom h SER 423 Ca 0.29 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 3kom h SER 423 Cb 0.03 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 3kom h SER 423 CO -0.05 0.55 0.08 -0.07 -0.53 0.00 0.00 176.83 176.82 3kom h LEU 424 N 0.26 0.36 -0.41 2.23 3.38 -1.13 -3.21 115.31 116.80 3kom h LEU 424 Ca 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kom h LEU 424 Cb 0.31 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3kom h LEU 424 CO 0.00 0.36 0.27 0.22 0.09 0.00 0.00 178.44 179.38 3kom h TYR 425 N 0.40 0.52 0.00 1.13 3.20 -0.81 -3.49 116.97 117.91 3kom h TYR 425 Ca 0.10 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3kom h TYR 425 Cb 0.14 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.24 3kom h TYR 425 CO 0.00 0.33 0.00 0.41 -1.64 0.00 0.00 178.16 177.26 3kom n GLY 426 N -1.19 2.85 2.55 1.82 0.00 -1.21 -5.01 105.19 105.00 3kom n GLY 426 Ca 0.01 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3kom n GLY 426 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kom n GLY 427 N 0.31 0.36 2.89 -0.02 0.00 -1.26 -4.97 105.19 102.50 3kom n GLY 427 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3kom n GLY 427 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kom s ILE 428 N -1.82 0.23 -0.56 -0.61 1.01 -1.26 -4.68 121.20 113.52 3kom s ILE 428 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 3kom s ILE 428 Cb 0.00 -0.25 0.14 0.00 0.01 0.00 0.00 42.46 42.37 3kom s ILE 428 CO 0.00 0.10 0.34 -0.54 0.00 0.00 0.00 174.94 174.84 3kom s LYS 429 N 0.34 2.28 0.36 2.79 1.02 0.29 -4.61 119.74 122.21 3kom s LYS 429 Ca -0.03 -2.43 -0.25 0.00 0.02 0.00 0.00 55.97 53.28 3kom s LYS 429 Cb -0.06 -3.58 -0.10 0.00 -0.52 0.00 0.00 37.83 33.57 3kom s LYS 429 CO -0.01 -1.13 0.96 -1.25 -0.92 0.00 0.00 175.35 173.00 3kom s PRO 430 N 0.08 4.45 0.04 -1.68 0.04 -1.26 -1.55 135.00 135.11 3kom s PRO 430 Ca 0.16 1.31 -0.01 0.00 0.04 0.00 0.00 61.00 62.50 3kom s PRO 430 Cb -0.22 -2.64 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 3kom s PRO 430 CO -0.03 0.16 -0.03 1.52 0.04 0.00 0.00 177.00 178.66 3kom s TYR 431 N -1.74 0.40 -0.26 0.56 -0.85 -0.86 -3.00 117.35 111.60 3kom s TYR 431 Ca 0.54 -0.82 -0.25 0.00 -0.52 0.00 0.00 57.07 56.02 3kom s TYR 431 Cb -0.17 -0.29 0.08 0.00 0.38 0.00 0.00 41.96 41.96 3kom s TYR 431 CO 0.22 -0.30 0.80 0.20 -1.52 0.00 0.00 175.55 174.95 3kom s GLY 432 N -2.26 -0.45 -0.07 5.49 0.00 -0.80 -1.85 107.32 107.39 3kom s GLY 432 Ca -0.03 2.16 0.01 0.00 0.00 0.00 0.00 44.72 46.85 3kom s GLY 432 CO -0.06 1.73 -0.07 -0.32 0.00 0.00 0.00 173.10 174.38 3kom s GLY 433 N 0.27 1.69 0.37 0.20 0.00 -0.64 -1.07 107.32 108.14 3kom s GLY 433 Ca 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 44.72 43.77 3kom s GLY 433 CO -0.00 -0.68 0.58 -1.08 0.00 0.00 0.00 173.10 171.92 3kom s THR 434 N -0.81 0.00 0.37 0.90 -1.32 -0.54 -1.37 115.64 112.87 3kom s THR 434 Ca 0.12 -1.42 -0.27 0.00 -1.21 0.00 0.00 61.69 58.92 3kom s THR 434 Cb -0.11 -2.75 -0.09 0.00 -1.51 0.00 0.00 72.50 68.04 3kom s THR 434 CO 0.01 0.00 1.18 -0.36 -2.21 0.00 0.00 174.62 173.25 3kom s PHE 435 N -2.72 3.16 0.32 9.09 0.40 -1.26 -1.45 117.98 125.51 3kom s PHE 435 Ca 0.26 1.55 0.06 0.00 -0.60 0.00 0.00 56.93 58.21 3kom s PHE 435 Cb -0.02 -3.43 0.72 0.00 0.51 0.00 0.00 43.02 40.81 3kom s PHE 435 CO 0.18 -1.28 1.82 1.25 0.70 0.00 0.00 175.22 177.90 3kom h LEU 436 N 2.99 0.78 -1.74 -0.37 5.85 -0.98 -0.13 115.31 121.71 3kom h LEU 436 Ca -0.48 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.39 3kom h LEU 436 Cb 1.23 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 3kom h LEU 436 CO 0.64 0.35 0.34 1.62 -0.34 0.00 0.00 178.44 181.05 3kom h VAL 437 N 0.80 0.90 0.00 1.05 3.04 -1.84 -0.94 116.25 119.26 3kom h VAL 437 Ca 0.52 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 66.10 3kom h VAL 437 Cb 0.75 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 3kom h VAL 437 CO -0.29 0.06 0.00 0.49 -1.01 0.00 0.00 177.57 176.82 3kom n PHE 438 N -4.46 0.00 0.28 3.17 3.72 -0.06 -1.89 117.46 118.22 3kom n PHE 438 Ca 0.08 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.65 3kom n PHE 438 Cb 0.36 -0.30 0.88 0.00 -0.94 0.00 0.00 39.48 39.47 3kom n PHE 438 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3kom h SER 439 N 0.00 0.00 -0.02 4.37 4.64 -1.22 0.30 113.55 121.62 3kom h SER 439 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3kom h SER 439 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3kom h SER 439 CO 0.00 0.00 -0.14 0.44 -0.87 0.00 0.00 176.83 176.26 3kom h ASP 440 N 0.00 0.30 0.14 4.97 3.32 -1.57 0.84 116.42 124.42 3kom h ASP 440 Ca 0.04 -0.07 -0.22 0.00 0.02 0.00 0.00 57.03 56.80 3kom h ASP 440 Cb 0.59 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3kom h ASP 440 CO -0.00 0.47 -0.85 1.88 -1.72 0.00 0.00 179.24 179.02 3kom h TYR 441 N 0.30 0.78 -0.42 4.55 -1.99 -1.16 -3.32 116.97 115.70 3kom h TYR 441 Ca 0.06 -0.38 0.00 0.00 2.00 0.00 0.00 58.73 60.41 3kom h TYR 441 Cb 0.43 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 39.05 3kom h TYR 441 CO 0.01 1.18 0.00 -1.13 -0.00 0.00 0.00 178.16 178.22 3kom n SER 442 N -3.84 3.30 -0.27 3.88 3.41 -1.10 -4.50 113.62 114.50 3kom n SER 442 Ca -0.07 -1.94 0.03 0.00 -0.26 0.00 0.00 58.87 56.64 3kom n SER 442 Cb 0.78 -0.27 0.12 0.00 -0.26 0.00 0.00 64.21 64.57 3kom n SER 442 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3kom h ARG 443 N 3.66 0.02 0.00 4.33 9.65 -0.94 -0.64 114.38 130.46 3kom h ARG 443 Ca 0.00 -0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 3kom h ARG 443 Cb 0.88 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.44 3kom h ARG 443 CO 0.00 0.01 -0.46 -0.97 2.80 0.00 0.00 179.97 181.35 3kom h ASN 444 N 0.02 0.00 0.22 -3.80 -1.24 -1.86 -1.46 115.58 107.46 3kom h ASN 444 Ca 0.39 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 57.25 3kom h ASN 444 Cb 0.63 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.67 3kom h ASN 444 CO -0.78 0.46 -0.57 0.00 -1.29 0.00 0.00 177.43 175.26 3kom h ALA 445 N 1.54 0.81 -0.32 1.57 0.00 -1.50 -2.93 119.26 118.44 3kom h ALA 445 Ca -0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3kom h ALA 445 Cb 0.96 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3kom h ALA 445 CO 0.06 0.70 0.18 0.82 0.00 0.00 0.00 179.25 181.01 3kom h ILE 446 N 0.27 1.13 0.00 0.00 2.04 -0.97 -1.06 117.51 118.93 3kom h ILE 446 Ca 0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3kom h ILE 446 Cb 1.07 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3kom h ILE 446 CO 0.09 0.14 0.00 -1.14 0.00 0.00 0.00 178.15 177.24 3kom n ARG 447 N -4.79 0.00 0.00 2.37 0.63 -0.59 -2.31 116.66 111.96 3kom n ARG 447 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3kom n ARG 447 Cb 0.08 -1.33 0.00 0.00 0.45 0.00 0.00 32.46 31.66 3kom n ARG 447 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3kom n SER 449 N 0.88 0.00 -0.03 6.15 7.64 -0.40 -0.84 113.62 127.01 3kom n SER 449 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 3kom n SER 449 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 3kom n SER 449 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kom h ALA 450 N 0.00 0.11 0.00 -0.43 0.00 -1.70 -0.03 119.26 117.20 3kom h ALA 450 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kom h ALA 450 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kom h ALA 450 CO 0.00 -0.12 0.00 -0.11 0.00 0.00 0.00 179.25 179.02 3kom n LEU 451 N -4.75 0.00 -2.24 0.00 7.94 -0.02 -4.63 117.00 113.30 3kom n LEU 451 Ca -0.07 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.82 3kom n LEU 451 Cb 0.27 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.30 3kom n LEU 451 CO 0.36 0.00 0.50 0.29 -1.11 0.00 0.00 177.39 177.42 3kom n LYS 453 N 0.72 0.86 -3.71 1.96 5.02 -0.75 -5.07 118.16 117.19 3kom n LYS 453 Ca 0.00 -0.76 -0.37 0.00 -2.02 0.00 0.00 58.31 55.16 3kom n LYS 453 Cb 0.00 0.27 -0.11 0.00 -0.02 0.00 0.00 35.03 35.18 3kom n LYS 453 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3kom s GLN 454 N 0.08 3.94 -0.38 1.97 -1.52 -0.10 -4.36 119.66 119.29 3kom s GLN 454 Ca 0.06 -0.33 -0.06 0.00 -1.95 0.00 0.00 55.36 53.07 3kom s GLN 454 Cb 0.28 -3.49 -0.17 0.00 -0.22 0.00 0.00 33.01 29.42 3kom s GLN 454 CO -0.08 -0.03 3.33 -0.35 -0.25 0.00 0.00 175.29 177.91 3kom n PRO 455 N 4.52 2.44 -1.96 2.91 -0.04 -1.26 -3.26 135.00 138.35 3kom n PRO 455 Ca -0.15 -1.52 -0.39 0.00 -0.04 0.00 0.00 63.50 61.41 3kom n PRO 455 Cb 0.52 -2.17 0.01 0.00 -0.04 0.00 0.00 33.50 31.82 3kom n PRO 455 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kom s VAL 456 N 0.54 2.43 -0.28 0.52 1.01 -1.26 -4.77 120.40 118.59 3kom s VAL 456 Ca 0.66 0.36 -0.07 0.00 0.00 0.00 0.00 61.98 62.92 3kom s VAL 456 Cb 0.30 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 3kom s VAL 456 CO -0.05 0.03 0.08 -0.69 0.00 0.00 0.00 175.10 174.46 3kom s VAL 457 N -1.31 4.11 -0.46 2.92 1.01 -1.16 -1.62 120.40 123.89 3kom s VAL 457 Ca 0.63 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 3kom s VAL 457 Cb -0.38 -3.04 0.06 0.00 0.00 0.00 0.00 36.38 33.02 3kom s VAL 457 CO 0.48 0.18 0.39 -1.00 0.00 0.00 0.00 175.10 175.14 3kom s HIS 458 N 1.55 3.24 0.60 5.22 3.76 0.34 -1.90 115.29 128.10 3kom s HIS 458 Ca 0.04 -0.87 0.00 0.00 -0.15 0.00 0.00 55.06 54.09 3kom s HIS 458 Cb -0.16 -3.09 0.06 0.00 1.11 0.00 0.00 32.58 30.49 3kom s HIS 458 CO 0.03 -0.77 0.85 0.08 -0.85 0.00 0.00 174.74 174.07 3kom s VAL 459 N 1.67 2.51 0.18 -0.90 1.01 -0.23 -4.28 120.40 120.36 3kom s VAL 459 Ca 0.04 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 3kom s VAL 459 Cb -0.23 -2.90 0.08 0.00 0.00 0.00 0.00 36.38 33.32 3kom s VAL 459 CO 0.07 0.00 1.04 -0.94 0.00 0.00 0.00 175.10 175.27 3kom s SER 461 N -4.50 -0.01 -1.18 3.32 1.04 -0.53 -1.47 113.70 110.37 3kom s SER 461 Ca 0.59 -0.64 -0.05 0.00 0.48 0.00 0.00 55.95 56.33 3kom s SER 461 Cb -0.09 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 3kom s SER 461 CO 0.40 -0.97 0.85 1.41 0.98 0.00 0.00 173.24 175.91 3kom n HIS 462 N -0.68 -2.14 1.28 5.02 8.25 -0.79 -0.48 115.22 125.68 3kom n HIS 462 Ca -0.03 0.82 0.13 0.00 -0.26 0.00 0.00 57.72 58.38 3kom n HIS 462 Cb 0.60 -4.37 0.68 0.00 1.12 0.00 0.00 29.99 28.01 3kom n HIS 462 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3kom n ASP 463 N -3.07 0.00 -2.01 0.41 5.75 -0.96 -4.36 116.55 112.31 3kom n ASP 463 Ca -0.20 -0.14 -0.03 0.00 -0.01 0.00 0.00 54.79 54.41 3kom n ASP 463 Cb 0.65 -0.27 0.01 0.00 -1.03 0.00 0.00 41.12 40.48 3kom n ASP 463 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3kom n SER 464 N -1.27 -1.05 0.22 -1.12 3.41 -1.26 -4.48 113.62 108.08 3kom n SER 464 Ca 0.13 -1.66 0.12 0.00 -0.26 0.00 0.00 58.87 57.20 3kom n SER 464 Cb 0.20 1.73 0.64 0.00 -0.26 0.00 0.00 64.21 66.52 3kom n SER 464 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3kom h ILE 465 N 1.50 0.00 0.00 -1.33 3.07 -1.91 -1.92 117.51 116.92 3kom h ILE 465 Ca -0.16 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.25 3kom h ILE 465 Cb 0.62 0.52 0.00 0.00 -0.27 0.00 0.00 36.82 37.69 3kom h ILE 465 CO 0.20 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.91 3kom n GLY 466 N -1.25 -0.91 0.28 0.16 0.00 -1.26 -1.35 105.19 100.86 3kom n GLY 466 Ca -0.02 0.08 0.18 0.00 0.00 0.00 0.00 46.02 46.26 3kom n GLY 466 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 3kom h LEU 467 N 0.00 0.00 0.00 0.99 8.10 -1.69 -3.41 115.31 119.30 3kom h LEU 467 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3kom h LEU 467 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.36 3kom h LEU 467 CO 0.00 0.00 0.00 0.61 -4.11 0.00 0.00 178.44 174.94 3kom n GLY 468 N -0.06 2.13 0.26 0.17 0.00 -0.45 -4.53 105.19 102.71 3kom n GLY 468 Ca 0.00 -0.48 0.13 0.00 0.00 0.00 0.00 46.02 45.68 3kom n GLY 468 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kom h GLU 469 N 0.00 0.00 -0.01 1.61 3.07 -1.79 -2.67 114.58 114.80 3kom h GLU 469 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kom h GLU 469 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3kom h GLU 469 CO 0.00 0.12 0.01 -0.44 -1.40 0.00 0.00 179.01 177.30 3kom h ASP 470 N 0.00 0.00 -3.22 1.42 3.32 -1.88 -3.40 116.42 112.66 3kom h ASP 470 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kom h ASP 470 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3kom h ASP 470 CO 0.02 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 3kom n GLY 471 N -1.30 -1.89 0.24 2.75 0.00 -1.00 -4.52 105.19 99.46 3kom n GLY 471 Ca -0.03 -1.60 0.11 0.00 0.00 0.00 0.00 46.02 44.50 3kom n GLY 471 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kom h PRO 472 N 0.00 0.00 0.00 1.61 0.13 -1.80 -1.08 132.00 130.86 3kom h PRO 472 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3kom h PRO 472 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3kom h PRO 472 CO 0.00 0.19 -0.12 1.79 -0.23 0.00 0.00 178.00 179.63 3kom h THR 473 N 0.00 0.32 0.00 1.56 1.35 -1.95 -3.17 112.91 111.01 3kom h THR 473 Ca -0.00 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 3kom h THR 473 Cb 0.58 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3kom h THR 473 CO 0.03 0.12 -0.94 1.41 -0.25 0.00 0.00 175.52 175.89 3kom n HIS 474 N -3.28 0.00 -3.02 4.73 8.25 -0.47 -4.97 115.22 116.47 3kom n HIS 474 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 3kom n HIS 474 Cb 0.37 -0.09 -0.06 0.00 1.12 0.00 0.00 29.99 31.33 3kom n HIS 474 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3kom s GLN 475 N -2.54 3.78 0.48 -0.41 -0.21 -0.83 -4.53 119.66 115.40 3kom s GLN 475 Ca 0.03 0.28 -0.23 0.00 0.02 0.00 0.00 55.36 55.46 3kom s GLN 475 Cb 0.11 -3.79 -0.07 0.00 1.00 0.00 0.00 33.01 30.26 3kom s GLN 475 CO 0.60 -0.76 1.22 -2.14 -2.12 0.00 0.00 175.29 172.10 3kom s PRO 476 N 2.90 3.60 0.20 2.91 0.02 -1.26 -4.79 135.00 138.57 3kom s PRO 476 Ca 0.29 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.22 3kom s PRO 476 Cb -0.14 -2.38 0.00 0.00 0.02 0.00 0.00 34.50 32.00 3kom s PRO 476 CO 0.15 -0.72 0.00 -0.89 -0.33 0.00 0.00 177.00 175.20 3kom n ILE 477 N -0.61 0.58 0.98 2.83 2.08 -1.26 -4.31 119.36 119.65 3kom n ILE 477 Ca 0.08 0.19 0.13 0.00 0.56 0.00 0.00 62.75 63.71 3kom n ILE 477 Cb 0.47 -1.02 0.43 0.00 -0.75 0.00 0.00 39.64 38.77 3kom n ILE 477 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 3kom n GLU 478 N -3.48 0.01 -0.01 0.38 0.00 -1.26 -1.24 120.64 115.04 3kom n GLU 478 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 57.16 57.05 3kom n GLU 478 Cb 0.01 -1.51 -0.06 0.00 0.00 0.00 0.00 31.44 29.88 3kom n GLU 478 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3kom h HIS 479 N 0.00 0.14 0.46 -1.84 3.86 -1.96 -0.55 115.15 115.27 3kom h HIS 479 Ca 0.00 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 3kom h HIS 479 Cb 0.51 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 3kom h HIS 479 CO 0.00 0.24 -0.36 0.28 0.86 0.00 0.00 177.93 178.96 3kom h VAL 480 N -0.01 0.27 -0.22 2.45 2.07 -1.93 -1.28 116.25 117.60 3kom h VAL 480 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 3kom h VAL 480 Cb 0.16 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3kom h VAL 480 CO -0.00 0.00 -0.03 1.55 0.02 0.00 0.00 177.57 179.11 3kom h PRO 481 N -0.81 0.33 -0.47 1.57 0.13 -1.85 -1.21 132.00 129.70 3kom h PRO 481 Ca -0.05 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.99 3kom h PRO 481 Cb 0.69 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.74 3kom h PRO 481 CO -0.00 0.38 0.15 1.03 -0.23 0.00 0.00 178.00 179.34 3kom h SER 482 N 0.32 0.63 0.41 1.44 0.87 -0.67 -2.35 113.55 114.20 3kom h SER 482 Ca 0.07 -0.08 -0.24 0.00 -1.23 0.00 0.00 61.79 60.31 3kom h SER 482 Cb 0.27 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3kom h SER 482 CO 0.01 0.60 -1.02 -0.07 -0.53 0.00 0.00 176.83 175.82 3kom h LEU 483 N 0.68 0.51 -2.12 2.23 3.38 -0.74 -3.13 115.31 116.12 3kom h LEU 483 Ca 0.16 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.75 3kom h LEU 483 Cb 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3kom h LEU 483 CO -0.01 1.26 0.18 0.03 0.09 0.00 0.00 178.44 179.99 3kom h ARG 484 N 0.19 0.00 0.00 1.13 3.08 -0.73 -2.16 114.38 115.89 3kom h ARG 484 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3kom h ARG 484 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.73 3kom h ARG 484 CO 0.17 0.00 0.00 -0.07 -1.07 0.00 0.00 179.97 179.00 3kom h LEU 485 N 0.00 0.00 -9.44 3.04 3.38 -1.39 -3.45 115.31 107.45 3kom h LEU 485 Ca 0.10 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.53 3kom h LEU 485 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3kom h LEU 485 CO -0.00 0.00 0.69 -0.63 0.09 0.00 0.00 178.44 178.59 3kom s ILE 486 N -3.51 3.85 0.56 1.22 1.01 -0.81 -4.97 121.20 118.53 3kom s ILE 486 Ca 0.03 1.28 -0.21 0.00 0.00 0.00 0.00 60.65 61.75 3kom s ILE 486 Cb 0.08 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3kom s ILE 486 CO 0.58 0.06 1.37 -2.84 0.00 0.00 0.00 174.94 174.10 3kom s PRO 487 N 1.61 3.08 -1.29 2.79 0.02 -1.26 -3.52 135.00 136.44 3kom s PRO 487 Ca 0.61 2.25 -0.03 0.00 0.02 0.00 0.00 61.00 63.85 3kom s PRO 487 Cb -0.31 -2.23 0.01 0.00 0.02 0.00 0.00 34.50 32.00 3kom s PRO 487 CO 0.27 -1.24 0.94 -1.71 -0.33 0.00 0.00 177.00 174.93 3kom n ASN 488 N -1.10 -2.66 -3.65 2.53 4.05 -1.26 -4.74 115.26 108.43 3kom n ASN 488 Ca 0.11 -0.68 -0.16 0.00 0.45 0.00 0.00 54.58 54.29 3kom n ASN 488 Cb 0.45 -4.68 -0.15 0.00 1.23 0.00 0.00 39.78 36.63 3kom n ASN 488 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 3kom s LEU 489 N -6.68 -0.13 -0.24 1.20 2.96 -1.23 -4.09 118.68 110.48 3kom s LEU 489 Ca 0.15 0.32 -0.18 0.00 -0.22 0.00 0.00 54.13 54.19 3kom s LEU 489 Cb -0.07 0.38 -0.03 0.00 0.50 0.00 0.00 46.19 46.97 3kom s LEU 489 CO 0.76 -0.25 0.53 -0.44 -1.32 0.00 0.00 176.35 175.63 3kom s SER 490 N 2.32 6.50 -0.41 3.68 0.01 -0.64 -4.88 113.70 120.28 3kom s SER 490 Ca 0.03 0.60 -0.09 0.00 1.31 0.00 0.00 55.95 57.80 3kom s SER 490 Cb -0.12 -2.29 0.07 0.00 0.21 0.00 0.00 66.02 63.88 3kom s SER 490 CO -0.07 -0.25 0.24 -0.69 0.41 0.00 0.00 173.24 172.87 3kom s VAL 491 N 2.07 4.19 -0.12 3.43 1.01 -1.26 -0.77 120.40 128.95 3kom s VAL 491 Ca 0.23 -1.34 -0.14 0.00 0.00 0.00 0.00 61.98 60.73 3kom s VAL 491 Cb -0.16 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 3kom s VAL 491 CO 0.09 -0.45 0.33 0.26 0.00 0.00 0.00 175.10 175.33 3kom s TRP 492 N 1.43 3.52 -0.49 5.22 0.52 0.02 -4.32 118.94 124.84 3kom s TRP 492 Ca 0.03 0.70 0.06 0.00 0.02 0.00 0.00 56.10 56.90 3kom s TRP 492 Cb -0.22 -2.33 0.21 0.00 -1.15 0.00 0.00 33.47 29.98 3kom s TRP 492 CO 0.02 0.34 0.50 -2.13 0.02 0.00 0.00 176.95 175.70 3kom n ARG 493 N 3.17 1.05 -2.25 4.98 0.63 0.05 -0.52 116.66 123.77 3kom n ARG 493 Ca -0.12 -3.68 -0.35 0.00 -0.92 0.00 0.00 57.85 52.79 3kom n ARG 493 Cb 0.52 -1.72 0.00 0.00 0.45 0.00 0.00 32.46 31.71 3kom n ARG 493 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3kom s PRO 494 N -1.06 3.36 0.08 -0.14 0.04 -1.26 -1.77 135.00 134.26 3kom s PRO 494 Ca 0.34 1.56 0.15 0.00 0.04 0.00 0.00 61.00 63.09 3kom s PRO 494 Cb 0.09 -2.01 -0.13 0.00 0.04 0.00 0.00 34.50 32.49 3kom s PRO 494 CO -0.13 -0.83 0.93 0.00 0.04 0.00 0.00 177.00 177.01 3kom h ALA 495 N 1.14 0.66 -2.05 8.56 0.00 -1.91 -3.40 119.26 122.26 3kom h ALA 495 Ca -0.50 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.50 3kom h ALA 495 Cb 1.26 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3kom h ALA 495 CO 0.57 1.04 0.00 -0.40 0.00 0.00 0.00 179.25 180.46 3kom n ASP 496 N -3.01 0.00 -0.02 0.00 5.68 -1.26 -4.79 116.55 113.15 3kom n ASP 496 Ca -0.08 -1.00 -0.09 0.00 -0.50 0.00 0.00 54.79 53.12 3kom n ASP 496 Cb 0.87 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.93 3kom n ASP 496 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3kom h THR 497 N 1.00 1.30 -0.25 2.12 1.35 -1.93 -0.64 112.91 115.85 3kom h THR 497 Ca 0.00 -1.64 -0.18 0.00 -0.55 0.00 0.00 66.41 64.03 3kom h THR 497 Cb 0.00 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 3kom h THR 497 CO 0.00 0.52 -0.56 0.40 -0.25 0.00 0.00 175.52 175.63 3kom h ILE 498 N 0.49 1.28 -0.55 6.82 2.04 -1.97 -3.04 117.51 122.58 3kom h ILE 498 Ca 0.03 -1.75 -0.01 0.00 1.00 0.00 0.00 64.86 64.12 3kom h ILE 498 Cb 0.98 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.76 3kom h ILE 498 CO 0.09 0.57 0.28 -0.33 0.00 0.00 0.00 178.15 178.76 3kom h GLU 499 N 0.59 0.77 -1.26 2.37 5.08 -1.93 -1.52 114.58 118.68 3kom h GLU 499 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3kom h GLU 499 Cb 1.18 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3kom h GLU 499 CO 0.12 0.58 0.00 2.41 -1.00 0.00 0.00 179.01 181.12 3kom n THR 500 N -4.38 0.23 0.00 1.13 -1.04 -0.26 -0.94 114.28 109.01 3kom n THR 500 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3kom n THR 500 Cb 0.11 -0.51 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 3kom n THR 500 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3kom n ILE 502 N 0.68 0.00 -0.10 12.58 2.08 -0.57 -1.59 119.36 132.43 3kom n ILE 502 Ca 0.00 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.24 3kom n ILE 502 Cb 0.14 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.03 3kom n ILE 502 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kom h ALA 503 N 0.00 0.42 -0.75 -1.39 0.00 -1.30 -0.44 119.26 115.81 3kom h ALA 503 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3kom h ALA 503 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3kom h ALA 503 CO 0.00 -0.20 0.23 -1.49 0.00 0.00 0.00 179.25 177.79 3kom h TRP 504 N 0.35 1.20 -0.29 0.00 4.06 -1.55 -0.46 115.95 119.27 3kom h TRP 504 Ca 0.14 -0.12 0.04 0.00 2.06 0.00 0.00 58.89 61.02 3kom h TRP 504 Cb 0.06 -0.35 -0.04 0.00 -1.00 0.00 0.00 29.16 27.83 3kom h TRP 504 CO -0.10 0.95 0.04 -0.22 -3.56 0.00 0.00 178.44 175.54 3kom h LYS 505 N 1.11 0.13 -0.64 0.49 3.64 -1.73 -0.35 116.57 119.22 3kom h LYS 505 Ca 0.24 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 3kom h LYS 505 Cb 0.31 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 3kom h LYS 505 CO -0.01 0.09 0.20 0.93 -2.27 0.00 0.00 179.45 178.39 3kom h GLU 506 N 0.13 0.98 -0.62 1.90 4.39 -0.83 -1.14 114.58 119.39 3kom h GLU 506 Ca 0.14 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 3kom h GLU 506 Cb 0.16 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 3kom h GLU 506 CO -0.20 0.84 0.16 0.00 -1.16 0.00 0.00 179.01 178.66 3kom h ALA 507 N 1.27 0.82 0.00 3.43 0.00 -0.59 -2.01 119.26 122.17 3kom h ALA 507 Ca 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kom h ALA 507 Cb 0.27 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3kom h ALA 507 CO -0.01 0.52 -0.08 -0.39 0.00 0.00 0.00 179.25 179.29 3kom h VAL 508 N 0.91 0.06 0.00 0.00 -1.51 -0.84 -3.09 116.25 111.78 3kom h VAL 508 Ca 0.20 -1.09 -0.07 0.00 -1.23 0.00 0.00 66.70 64.51 3kom h VAL 508 Cb 0.34 2.01 -0.01 0.00 -2.13 0.00 0.00 31.29 31.50 3kom h VAL 508 CO -0.00 0.04 -0.32 0.11 -1.23 0.00 0.00 177.57 176.17 3kom h LYS 509 N 0.00 0.00 -6.68 5.19 1.57 -1.01 -3.46 116.57 112.18 3kom h LYS 509 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 3kom h LYS 509 Cb 1.03 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.39 3kom h LYS 509 CO 0.00 0.32 0.81 0.45 -0.57 0.00 0.00 179.45 180.46 3kom s SER 510 N -6.32 6.62 -0.10 0.86 0.15 -0.77 -4.91 113.70 109.23 3kom s SER 510 Ca 0.04 2.64 0.11 0.00 0.70 0.00 0.00 55.95 59.43 3kom s SER 510 Cb 0.08 -2.61 -0.24 0.00 -1.71 0.00 0.00 66.02 61.54 3kom s SER 510 CO 0.70 -0.76 0.44 0.29 1.20 0.00 0.00 173.24 175.11 3kom n LYS 511 N 3.11 0.66 0.00 5.44 4.01 -1.26 -4.66 118.16 125.46 3kom n LYS 511 Ca 0.10 0.21 0.00 0.00 -0.51 0.00 0.00 58.31 58.11 3kom n LYS 511 Cb 0.39 -1.70 0.00 0.00 -0.51 0.00 0.00 35.03 33.21 3kom n LYS 511 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3kom n ASP 512 N -3.04 0.84 -3.83 4.39 10.43 -1.26 -4.40 116.55 119.68 3kom n ASP 512 Ca -0.24 -1.29 -0.25 0.00 2.57 0.00 0.00 54.79 55.58 3kom n ASP 512 Cb 1.07 0.00 -0.17 0.00 1.84 0.00 0.00 41.12 43.86 3kom n ASP 512 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3kom s THR 513 N -0.29 0.67 0.87 -3.53 2.01 -1.26 -4.22 115.64 109.89 3kom s THR 513 Ca 0.00 -0.08 -0.11 0.00 0.31 0.00 0.00 61.69 61.81 3kom s THR 513 Cb 0.00 -0.77 0.11 0.00 0.01 0.00 0.00 72.50 71.85 3kom s THR 513 CO 0.00 0.30 1.10 -2.16 -0.69 0.00 0.00 174.62 173.16 3kom s PRO 514 N 1.85 1.48 0.12 4.92 0.04 -1.20 -4.50 135.00 137.71 3kom s PRO 514 Ca 0.05 1.06 0.06 0.00 0.04 0.00 0.00 61.00 62.21 3kom s PRO 514 Cb -0.12 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 3kom s PRO 514 CO -0.07 -2.16 -0.14 -1.12 0.04 0.00 0.00 177.00 173.56 3kom s SER 515 N -3.25 1.98 0.00 6.66 0.01 -0.64 -1.63 113.70 116.84 3kom s SER 515 Ca 0.63 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 57.10 3kom s SER 515 Cb -0.19 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 65.97 3kom s SER 515 CO 0.57 -0.13 0.00 0.52 0.41 0.00 0.00 173.24 174.61 3kom n VAL 516 N 0.61 0.00 -3.23 3.43 0.31 0.06 -0.50 118.33 119.00 3kom n VAL 516 Ca -0.16 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.21 3kom n VAL 516 Cb 0.57 -0.39 -0.03 0.00 -0.91 0.00 0.00 33.84 33.08 3kom n VAL 516 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3kom s VAL 518 N 1.41 -0.27 0.11 2.52 1.01 0.33 -0.80 120.40 124.72 3kom s VAL 518 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.07 3kom s VAL 518 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3kom s VAL 518 CO 0.00 0.00 -0.22 -0.76 0.00 0.00 0.00 175.10 174.12 3kom s LEU 519 N 2.51 2.31 0.26 3.92 1.43 -1.26 -4.04 118.68 123.81 3kom s LEU 519 Ca -0.02 -0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 52.34 3kom s LEU 519 Cb -0.06 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 45.18 3kom s LEU 519 CO -0.14 0.07 0.51 0.42 0.23 0.00 0.00 176.35 177.44 3kom s THR 520 N -1.19 5.06 0.05 5.49 -4.23 -1.26 -1.88 115.64 117.67 3kom s THR 520 Ca 0.08 -0.02 -0.15 0.00 -1.18 0.00 0.00 61.69 60.42 3kom s THR 520 Cb -0.10 -3.73 -0.32 0.00 1.34 0.00 0.00 72.50 69.70 3kom s THR 520 CO 0.05 -0.27 1.07 -0.09 -0.54 0.00 0.00 174.62 174.83 3kom h ARG 521 N 1.80 0.58 -6.63 3.99 2.43 -1.92 -3.04 114.38 111.60 3kom h ARG 521 Ca -0.48 -0.86 -0.51 0.00 -0.81 0.00 0.00 59.98 57.32 3kom h ARG 521 Cb 1.19 0.30 -0.01 0.00 -0.42 0.00 0.00 29.97 31.03 3kom h ARG 521 CO 0.67 1.40 -0.02 1.14 -1.51 0.00 0.00 179.97 181.65 3kom s GLN 522 N -2.83 3.77 0.31 0.20 0.00 -1.26 -4.74 119.66 115.11 3kom s GLN 522 Ca -0.09 0.31 -0.28 0.00 -0.00 0.00 0.00 55.36 55.30 3kom s GLN 522 Cb 0.05 -2.53 -0.09 0.00 0.00 0.00 0.00 33.01 30.44 3kom s GLN 522 CO 0.94 0.14 1.02 -0.80 0.00 0.00 0.00 175.29 176.60 3kom s ASN 523 N -2.88 7.23 0.00 12.60 0.02 -1.26 -4.11 114.94 126.54 3kom s ASN 523 Ca 0.48 2.06 0.00 0.00 -1.02 0.00 0.00 52.86 54.39 3kom s ASN 523 Cb -0.11 -2.60 0.00 0.00 0.02 0.00 0.00 41.25 38.56 3kom s ASN 523 CO 0.27 -0.15 0.00 0.18 0.02 0.00 0.00 177.10 177.41 3kom n LEU 524 N 0.82 0.00 -4.77 0.60 4.77 -0.45 -4.84 117.00 113.13 3kom n LEU 524 Ca 0.01 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.68 3kom n LEU 524 Cb 0.47 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 3kom n LEU 524 CO 0.49 0.00 -0.27 -2.16 -1.33 0.00 0.00 177.39 174.12 3kom s PRO 526 N 4.61 2.86 0.00 3.23 0.04 -1.26 -2.83 135.00 141.64 3kom s PRO 526 Ca 0.00 -0.70 0.00 0.00 0.04 0.00 0.00 61.00 60.34 3kom s PRO 526 Cb 0.00 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.83 3kom s PRO 526 CO 0.00 0.57 0.00 1.33 0.04 0.00 0.00 177.00 178.94 3kom n VAL 527 N 0.50 0.00 -2.54 -0.36 0.24 -1.26 -5.03 118.33 109.88 3kom n VAL 527 Ca -0.09 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.79 3kom n VAL 527 Cb 0.52 -0.52 -0.03 0.00 -1.47 0.00 0.00 33.84 32.33 3kom n VAL 527 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3kom s VAL 528 N -1.72 4.23 0.00 3.34 1.01 -1.26 -4.93 120.40 121.08 3kom s VAL 528 Ca 0.00 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.67 3kom s VAL 528 Cb 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3kom s VAL 528 CO 0.00 0.18 0.00 0.00 0.00 0.00 0.00 175.10 175.28 3kom n GLN 529 N 3.44 4.44 -3.98 2.72 6.02 -1.26 -4.99 117.38 123.77 3kom n GLN 529 Ca 0.06 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.94 3kom n GLN 529 Cb 0.48 -0.53 -0.12 0.00 1.02 0.00 0.00 30.24 31.08 3kom n GLN 529 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3kom s THR 530 N -1.01 0.17 0.35 5.09 2.01 -1.26 -5.04 115.64 115.94 3kom s THR 530 Ca 0.00 -0.66 0.05 0.00 0.31 0.00 0.00 61.69 61.39 3kom s THR 530 Cb 0.00 -0.26 0.18 0.00 0.01 0.00 0.00 72.50 72.43 3kom s THR 530 CO 0.00 -0.31 1.91 -0.61 -0.69 0.00 0.00 174.62 174.92 3kom h GLN 531 N 5.10 0.54 -1.01 4.92 5.75 -2.01 -2.61 115.11 125.79 3kom h GLN 531 Ca -0.30 -0.10 0.09 0.00 -0.15 0.00 0.00 58.65 58.19 3kom h GLN 531 Cb 1.21 -0.09 -0.08 0.00 1.07 0.00 0.00 27.48 29.59 3kom h GLN 531 CO 0.44 0.52 0.64 1.25 -2.65 0.00 0.00 178.83 179.04 3kom h HIS 532 N 0.53 1.18 -0.22 3.99 2.76 -2.03 -1.79 115.15 119.57 3kom h HIS 532 Ca 0.12 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.26 3kom h HIS 532 Cb 0.25 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 3kom h HIS 532 CO 0.01 0.54 -0.14 1.96 -1.30 0.00 0.00 177.93 179.00 3kom h GLN 533 N 1.09 0.36 -0.36 5.26 4.20 -1.85 -3.30 115.11 120.51 3kom h GLN 533 Ca 0.46 -0.09 0.08 0.00 0.06 0.00 0.00 58.65 59.16 3kom h GLN 533 Cb 0.32 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.98 3kom h GLN 533 CO -0.22 0.50 -0.19 0.28 -0.67 0.00 0.00 178.83 178.53 3kom h VAL 534 N 0.33 0.45 -0.02 -0.54 2.07 -1.30 -0.23 116.25 117.02 3kom h VAL 534 Ca 0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 3kom h VAL 534 Cb 0.45 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3kom h VAL 534 CO 0.03 0.00 -0.21 0.00 0.02 0.00 0.00 177.57 177.40 3kom h ALA 535 N 1.11 1.62 0.00 1.67 0.00 -1.68 -2.84 119.26 119.14 3kom h ALA 535 Ca 0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3kom h ALA 535 Cb 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3kom h ALA 535 CO -0.44 0.29 -0.19 -0.91 0.00 0.00 0.00 179.25 178.00 3kom h ASN 536 N 0.03 0.00 -0.85 0.00 -0.26 -1.34 -3.04 115.58 110.12 3kom h ASN 536 Ca 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3kom h ASN 536 Cb 0.39 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.61 3kom h ASN 536 CO 0.03 0.19 0.53 0.40 -1.06 0.00 0.00 177.43 177.52 3kom h ILE 537 N 0.00 1.23 0.00 2.81 2.04 -0.83 -1.24 117.51 121.52 3kom h ILE 537 Ca -0.00 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.37 3kom h ILE 537 Cb 1.06 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3kom h ILE 537 CO 0.03 0.24 0.00 0.00 0.00 0.00 0.00 178.15 178.41 3kom n ALA 538 N -2.41 1.40 1.45 1.87 0.00 -1.15 -1.17 120.51 120.50 3kom n ALA 538 Ca 0.09 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.65 3kom n ALA 538 Cb 0.05 -1.13 0.60 0.00 0.00 0.00 0.00 19.45 18.96 3kom n ALA 538 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kom n ARG 539 N -1.48 0.87 0.00 0.00 1.74 -0.47 -4.93 116.66 112.39 3kom n ARG 539 Ca 0.02 -0.35 0.00 0.00 -0.77 0.00 0.00 57.85 56.75 3kom n ARG 539 Cb 0.09 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 3kom n ARG 539 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kom n GLY 540 N 1.25 3.28 3.50 -0.13 0.00 -0.32 -3.14 105.19 109.63 3kom n GLY 540 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 3kom n GLY 540 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kom s GLY 541 N -2.16 -0.45 0.26 -0.02 0.00 -1.26 -1.62 107.32 102.07 3kom s GLY 541 Ca 0.00 1.60 -0.21 0.00 0.00 0.00 0.00 44.72 46.11 3kom s GLY 541 CO 0.00 1.36 0.78 -2.52 0.00 0.00 0.00 173.10 172.71 3kom s TYR 542 N 0.10 -0.15 -0.30 1.90 1.13 -0.54 -4.79 117.35 114.70 3kom s TYR 542 Ca -0.02 -0.29 -0.18 0.00 -1.41 0.00 0.00 57.07 55.17 3kom s TYR 542 Cb -0.04 0.71 -0.02 0.00 -1.10 0.00 0.00 41.96 41.51 3kom s TYR 542 CO 0.02 -1.18 0.54 -0.51 -2.51 0.00 0.00 175.55 171.91 3kom s LEU 543 N -2.94 4.15 0.11 -3.49 1.43 -1.26 -1.11 118.68 115.57 3kom s LEU 543 Ca 0.12 0.34 -0.07 0.00 -1.03 0.00 0.00 54.13 53.48 3kom s LEU 543 Cb -0.05 -2.67 -0.13 0.00 0.03 0.00 0.00 46.19 43.37 3kom s LEU 543 CO 0.06 -0.38 1.28 0.58 0.23 0.00 0.00 176.35 178.12 3kom h VAL 544 N 5.50 1.36 -3.27 -1.59 2.07 -1.11 -3.44 116.25 115.76 3kom h VAL 544 Ca -0.28 -2.35 -0.52 0.00 0.82 0.00 0.00 66.70 64.37 3kom h VAL 544 Cb 1.13 2.37 -0.36 0.00 -1.52 0.00 0.00 31.29 32.92 3kom h VAL 544 CO 0.75 0.71 -0.81 -0.54 0.02 0.00 0.00 177.57 177.71 3kom s LYS 545 N -3.32 1.55 -0.27 1.57 1.02 -0.95 -4.95 119.74 114.39 3kom s LYS 545 Ca -0.07 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 55.62 3kom s LYS 545 Cb 0.08 -1.49 0.08 0.00 -0.52 0.00 0.00 37.83 35.98 3kom s LYS 545 CO 0.88 -0.16 0.02 0.34 -0.92 0.00 0.00 175.35 175.51 3kom s ASP 546 N 1.32 3.94 -0.15 2.83 -1.08 -1.26 -1.65 116.67 120.62 3kom s ASP 546 Ca -0.02 -1.43 0.01 0.00 -0.52 0.00 0.00 52.55 50.59 3kom s ASP 546 Cb -0.14 -1.09 0.00 0.00 -1.46 0.00 0.00 42.92 40.23 3kom s ASP 546 CO -0.04 -0.32 -0.18 0.20 0.52 0.00 0.00 175.17 175.35 3kom s ASN 547 N 1.43 3.42 0.55 -0.34 0.01 -1.26 -5.02 114.94 113.74 3kom s ASN 547 Ca 0.02 -0.53 0.23 0.00 -0.71 0.00 0.00 52.86 51.87 3kom s ASN 547 Cb -0.18 -1.51 1.50 0.00 0.41 0.00 0.00 41.25 41.47 3kom s ASN 547 CO -0.12 0.08 2.16 1.55 -1.51 0.00 0.00 177.10 179.26 3kom h PRO 548 N 7.32 0.00 -0.64 -0.60 0.13 -1.99 -2.09 132.00 134.12 3kom h PRO 548 Ca -0.33 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.52 3kom h PRO 548 Cb 1.19 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 3kom h PRO 548 CO 0.56 0.00 0.25 -0.25 -0.23 0.00 0.00 178.00 178.33 3kom n ASP 549 N -4.22 3.50 -4.68 1.44 8.00 -1.26 -5.02 116.55 114.32 3kom n ASP 549 Ca -0.01 -3.54 -0.43 0.00 0.71 0.00 0.00 54.79 51.52 3kom n ASP 549 Cb 0.17 -0.72 -0.01 0.00 -0.02 0.00 0.00 41.12 40.54 3kom n ASP 549 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kom n ALA 550 N -0.89 1.02 0.63 2.24 0.00 -0.79 -4.66 120.51 118.06 3kom n ALA 550 Ca 0.43 0.37 0.08 0.00 0.00 0.00 0.00 53.44 54.32 3kom n ALA 550 Cb 1.31 -2.21 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 3kom n ALA 550 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kom n LYS 551 N 0.68 1.22 -3.54 0.00 4.76 -0.11 -4.95 118.16 116.22 3kom n LYS 551 Ca 0.06 -0.03 -0.12 0.00 -2.87 0.00 0.00 58.31 55.35 3kom n LYS 551 Cb 0.35 -1.32 -0.04 0.00 -1.84 0.00 0.00 35.03 32.17 3kom n LYS 551 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3kom s LEU 552 N -3.10 -0.44 -0.15 -0.35 0.20 -1.26 -4.25 118.68 109.32 3kom s LEU 552 Ca 0.04 0.36 -0.02 0.00 0.69 0.00 0.00 54.13 55.20 3kom s LEU 552 Cb 0.12 2.08 -0.02 0.00 -0.43 0.00 0.00 46.19 47.95 3kom s LEU 552 CO 0.70 -0.49 -0.07 -0.89 -0.29 0.00 0.00 176.35 175.31 3kom s THR 553 N -1.70 3.56 -0.22 3.68 2.01 -0.07 -0.95 115.64 121.94 3kom s THR 553 Ca -0.02 -0.48 -0.17 0.00 0.31 0.00 0.00 61.69 61.33 3kom s THR 553 Cb -0.00 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 3kom s THR 553 CO 0.00 0.50 0.47 -0.63 -0.69 0.00 0.00 174.62 174.27 3kom s ILE 554 N 0.45 5.13 -0.20 1.82 1.01 -0.17 -1.15 121.20 128.09 3kom s ILE 554 Ca -0.06 0.82 -0.05 0.00 0.00 0.00 0.00 60.65 61.37 3kom s ILE 554 Cb -0.15 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 3kom s ILE 554 CO 0.04 0.18 -0.01 -0.69 0.00 0.00 0.00 174.94 174.46 3kom s VAL 555 N 1.71 3.89 0.18 2.92 1.01 0.06 -0.76 120.40 129.41 3kom s VAL 555 Ca 0.21 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 3kom s VAL 555 Cb -0.15 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 3kom s VAL 555 CO 0.09 0.43 0.21 0.00 0.00 0.00 0.00 175.10 175.83 3kom s ALA 556 N 0.99 0.49 0.12 5.51 0.00 -0.25 -1.08 121.76 127.54 3kom s ALA 556 Ca 0.01 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 50.76 3kom s ALA 556 Cb -0.14 1.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.96 3kom s ALA 556 CO 0.02 -0.62 -0.09 0.95 0.00 0.00 0.00 175.76 176.02 3kom s THR 557 N -4.04 0.98 0.00 0.00 -4.23 -1.25 -1.21 115.64 105.88 3kom s THR 557 Ca 0.25 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 3kom s THR 557 Cb 0.05 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 72.17 3kom s THR 557 CO 0.05 -0.76 0.00 0.61 -0.54 0.00 0.00 174.62 173.98 3kom n GLY 558 N -0.03 2.95 0.18 3.99 0.00 -0.73 -1.24 105.19 110.31 3kom n GLY 558 Ca -0.12 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 45.94 3kom n GLY 558 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kom h SER 559 N 0.90 0.00 0.63 1.61 4.64 -1.87 -2.01 113.55 117.45 3kom h SER 559 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kom h SER 559 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kom h SER 559 CO 0.00 0.00 -0.34 -0.62 -0.87 0.00 0.00 176.83 175.00 3kom n GLU 560 N -2.36 0.05 -0.18 4.77 4.71 -0.37 -3.96 120.64 123.31 3kom n GLU 560 Ca -0.01 -0.02 -0.10 0.00 -0.01 0.00 0.00 57.16 57.01 3kom n GLU 560 Cb 0.07 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.00 3kom n GLU 560 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3kom h VAL 561 N 0.05 1.27 -0.15 2.62 2.07 -1.42 -1.21 116.25 119.49 3kom h VAL 561 Ca 0.00 -1.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.26 3kom h VAL 561 Cb 0.50 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3kom h VAL 561 CO 0.00 0.42 -0.14 1.05 0.02 0.00 0.00 177.57 178.93 3kom h GLU 562 N 0.82 0.23 -0.33 1.57 4.11 -1.77 -0.77 114.58 118.44 3kom h GLU 562 Ca 0.13 -0.05 -0.05 0.00 0.07 0.00 0.00 59.36 59.46 3kom h GLU 562 Cb 0.63 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3kom h GLU 562 CO 0.04 0.38 -0.01 1.25 0.07 0.00 0.00 179.01 180.74 3kom h LEU 563 N 0.22 0.58 -0.81 3.06 5.85 -1.63 -1.77 115.31 120.81 3kom h LEU 563 Ca 0.04 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.49 3kom h LEU 563 Cb 0.38 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3kom h LEU 563 CO 0.02 0.75 0.51 0.00 -0.34 0.00 0.00 178.44 179.39 3kom h ALA 564 N 0.85 1.09 -0.37 1.25 0.00 -0.64 -1.71 119.26 119.74 3kom h ALA 564 Ca 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kom h ALA 564 Cb 0.46 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3kom h ALA 564 CO 0.02 0.29 0.15 0.28 0.00 0.00 0.00 179.25 180.00 3kom h VAL 565 N 0.97 1.18 -0.85 0.00 2.07 -0.97 -0.37 116.25 118.29 3kom h VAL 565 Ca 0.34 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.34 3kom h VAL 565 Cb 0.08 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 3kom h VAL 565 CO -0.14 0.20 0.54 0.11 0.02 0.00 0.00 177.57 178.30 3kom h LYS 566 N 0.45 1.02 -0.33 1.57 1.57 -0.95 0.13 116.57 120.02 3kom h LYS 566 Ca 0.12 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3kom h LYS 566 Cb 0.17 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3kom h LYS 566 CO -0.01 0.67 0.03 0.28 -0.57 0.00 0.00 179.45 179.85 3kom h VAL 567 N 1.05 1.25 -0.89 0.50 2.07 -1.10 -2.06 116.25 117.06 3kom h VAL 567 Ca 0.34 -0.89 0.09 0.00 0.82 0.00 0.00 66.70 67.06 3kom h VAL 567 Cb 0.03 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 3kom h VAL 567 CO -0.12 0.29 0.58 0.00 0.02 0.00 0.00 177.57 178.34 3kom h ALA 568 N 0.87 1.60 -0.79 1.67 0.00 -0.49 -1.59 119.26 120.53 3kom h ALA 568 Ca 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kom h ALA 568 Cb 0.40 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3kom h ALA 568 CO 0.01 0.23 0.52 -0.91 0.00 0.00 0.00 179.25 179.10 3kom h ASN 569 N 0.92 0.90 -0.61 0.00 -0.26 -0.36 -0.91 115.58 115.26 3kom h ASN 569 Ca 0.40 -0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 56.04 3kom h ASN 569 Cb 0.35 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.36 3kom h ASN 569 CO -0.17 0.65 0.04 -0.33 -1.06 0.00 0.00 177.43 176.56 3kom h GLU 570 N 1.06 1.04 -0.07 0.81 4.39 -0.63 -2.89 114.58 118.30 3kom h GLU 570 Ca 0.29 -0.31 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 3kom h GLU 570 Cb -0.11 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 3kom h GLU 570 CO -0.07 1.01 -0.62 0.74 -1.16 0.00 0.00 179.01 178.91 3kom h PHE 571 N 0.95 0.32 -0.82 4.33 0.04 -1.10 -2.79 116.94 117.87 3kom h PHE 571 Ca 0.18 -0.13 0.10 0.00 2.80 0.00 0.00 57.97 60.92 3kom h PHE 571 Cb 0.51 -0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.55 3kom h PHE 571 CO 0.04 0.80 0.53 1.49 -0.60 0.00 0.00 178.31 180.57 3kom h GLU 572 N 0.18 0.74 0.00 1.51 4.57 -0.94 0.46 114.58 121.11 3kom h GLU 572 Ca -0.01 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.06 3kom h GLU 572 Cb 1.13 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 3kom h GLU 572 CO 0.10 0.49 -0.33 0.87 -1.18 0.00 0.00 179.01 178.95 3kom h LYS 573 N 0.76 0.00 -0.50 1.92 1.57 -1.30 -2.13 116.57 116.89 3kom h LYS 573 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3kom h LYS 573 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3kom h LYS 573 CO -0.15 0.33 0.00 1.63 -0.57 0.00 0.00 179.45 180.69 3kom n LYS 574 N -3.97 2.20 -1.04 3.15 5.02 -0.50 -4.92 118.16 118.10 3kom n LYS 574 Ca -0.02 -1.86 -0.01 0.00 -2.02 0.00 0.00 58.31 54.40 3kom n LYS 574 Cb 0.39 -1.41 -0.01 0.00 -0.02 0.00 0.00 35.03 33.99 3kom n LYS 574 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kom n GLY 575 N 1.33 0.48 3.23 0.72 0.00 -0.80 -5.03 105.19 105.12 3kom n GLY 575 Ca 0.17 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 3kom n GLY 575 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kom s ILE 576 N -2.04 2.75 -0.07 -0.61 1.01 0.04 -4.99 121.20 117.29 3kom s ILE 576 Ca 0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 60.65 59.72 3kom s ILE 576 Cb 0.00 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 3kom s ILE 576 CO 0.00 0.48 0.64 -0.54 0.00 0.00 0.00 174.94 175.52 3kom s LYS 577 N 1.29 4.40 0.16 2.79 -0.14 -1.26 -2.66 119.74 124.32 3kom s LYS 577 Ca 0.04 0.77 0.10 0.00 -1.36 0.00 0.00 55.97 55.51 3kom s LYS 577 Cb -0.14 -3.43 -0.04 0.00 -1.68 0.00 0.00 37.83 32.54 3kom s LYS 577 CO -0.07 0.13 -0.16 -0.51 -0.76 0.00 0.00 175.35 173.98 3kom s LEU 578 N 0.63 2.73 0.28 3.17 1.43 -1.26 -0.94 118.68 124.72 3kom s LEU 578 Ca 0.34 -0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 52.70 3kom s LEU 578 Cb -0.17 -1.48 -0.07 0.00 0.03 0.00 0.00 46.19 44.50 3kom s LEU 578 CO 0.16 0.13 0.59 0.20 0.23 0.00 0.00 176.35 177.66 3kom s ASN 579 N -2.58 6.57 -0.12 2.29 0.01 -0.13 -4.61 114.94 116.38 3kom s ASN 579 Ca 0.22 0.91 -0.00 0.00 -0.71 0.00 0.00 52.86 53.27 3kom s ASN 579 Cb -0.09 -2.22 0.03 0.00 0.41 0.00 0.00 41.25 39.37 3kom s ASN 579 CO 0.12 -0.16 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.79 3kom s VAL 580 N -1.98 1.04 -0.14 1.60 1.01 -0.66 -1.00 120.40 120.28 3kom s VAL 580 Ca 0.47 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 3kom s VAL 580 Cb -0.11 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 3kom s VAL 580 CO 0.25 0.34 0.01 0.00 0.00 0.00 0.00 175.10 175.70 3kom s ALA 581 N 1.70 3.24 -0.17 5.51 0.00 0.06 -0.45 121.76 131.65 3kom s ALA 581 Ca 0.05 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 3kom s ALA 581 Cb -0.13 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 3kom s ALA 581 CO -0.08 0.35 -0.02 0.45 0.00 0.00 0.00 175.76 176.46 3kom s SER 582 N -0.13 4.90 -0.77 0.00 0.15 -0.27 -1.09 113.70 116.49 3kom s SER 582 Ca 0.05 -0.12 0.03 0.00 0.70 0.00 0.00 55.95 56.60 3kom s SER 582 Cb -0.13 -1.81 0.24 0.00 -1.71 0.00 0.00 66.02 62.61 3kom s SER 582 CO 0.02 0.15 0.83 -0.38 1.20 0.00 0.00 173.24 175.05 3kom n ILE 583 N 3.69 2.84 0.30 6.45 2.08 -0.35 -1.47 119.36 132.90 3kom n ILE 583 Ca -0.17 -5.25 0.18 0.00 0.56 0.00 0.00 62.75 58.07 3kom n ILE 583 Cb 0.52 -2.17 0.96 0.00 -0.75 0.00 0.00 39.64 38.20 3kom n ILE 583 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 3kom h PRO 584 N 4.95 0.00 -2.24 0.38 0.13 -1.62 -3.38 132.00 130.23 3kom h PRO 584 Ca 0.18 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 65.02 3kom h PRO 584 Cb 0.70 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.49 3kom h PRO 584 CO 0.90 0.03 -0.61 0.00 -0.23 0.00 0.00 178.00 178.09 3kom h VAL 586 N 6.27 1.21 -0.79 0.00 2.07 -1.75 -0.78 116.25 122.47 3kom h VAL 586 Ca -0.16 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 3kom h VAL 586 Cb 1.12 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3kom h VAL 586 CO 0.31 0.23 0.34 -0.33 0.02 0.00 0.00 177.57 178.13 3kom h GLU 587 N 1.01 1.17 -0.18 1.57 3.07 -1.91 0.26 114.58 119.58 3kom h GLU 587 Ca 0.26 -0.20 -0.19 0.00 -0.50 0.00 0.00 59.36 58.74 3kom h GLU 587 Cb -0.01 -0.20 0.01 0.00 -0.84 0.00 0.00 28.75 27.71 3kom h GLU 587 CO -0.05 0.94 -0.61 0.28 -1.40 0.00 0.00 179.01 178.17 3kom h VAL 588 N 1.14 1.30 -0.92 3.13 2.07 -1.82 -3.19 116.25 117.97 3kom h VAL 588 Ca 0.27 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.96 3kom h VAL 588 Cb 0.19 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 3kom h VAL 588 CO -0.03 0.58 0.58 0.15 0.02 0.00 0.00 177.57 178.87 3kom h PHE 589 N 0.45 1.18 0.00 1.57 3.57 -0.74 -2.09 116.94 120.88 3kom h PHE 589 Ca -0.02 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 3kom h PHE 589 Cb 1.23 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 3kom h PHE 589 CO 0.09 0.76 -0.05 0.00 -2.23 0.00 0.00 178.31 176.89 3kom h ALA 590 N 1.38 1.52 -0.01 2.41 0.00 -0.94 -1.50 119.26 122.13 3kom h ALA 590 Ca 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3kom h ALA 590 Cb -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3kom h ALA 590 CO -0.07 0.06 -0.15 0.25 0.00 0.00 0.00 179.25 179.34 3kom n THR 591 N -3.91 0.00 -1.44 0.00 -2.24 -0.79 -4.94 114.28 100.97 3kom n THR 591 Ca -0.03 -0.09 -0.31 0.00 -2.27 0.00 0.00 64.05 61.36 3kom n THR 591 Cb 0.14 0.09 0.08 0.00 -2.10 0.00 0.00 70.33 68.54 3kom n THR 591 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3kom s GLN 592 N -2.46 2.30 0.28 -0.78 -1.52 -0.57 -4.98 119.66 111.94 3kom s GLN 592 Ca 0.28 0.90 -0.29 0.00 -1.95 0.00 0.00 55.36 54.30 3kom s GLN 592 Cb 0.20 -1.92 -0.14 0.00 -0.22 0.00 0.00 33.01 30.93 3kom s GLN 592 CO 0.48 -1.53 1.10 0.00 -0.25 0.00 0.00 175.29 175.09 3kom n ALA 593 N -3.41 0.04 -0.24 6.09 0.00 -1.26 -4.79 120.51 116.93 3kom n ALA 593 Ca 0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3kom n ALA 593 Cb 0.54 -2.07 0.07 0.00 0.00 0.00 0.00 19.45 17.99 3kom n ALA 593 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kom h HIS 594 N 2.40 -0.45 -0.73 0.00 3.86 -1.96 -0.33 115.15 117.95 3kom h HIS 594 Ca -0.41 0.07 0.01 0.00 -1.16 0.00 0.00 60.37 58.87 3kom h HIS 594 Cb 1.33 0.31 -0.04 0.00 1.06 0.00 0.00 27.41 30.07 3kom h HIS 594 CO 0.49 -0.32 0.48 1.49 0.86 0.00 0.00 177.93 180.94 3kom h GLU 595 N -0.02 0.95 -0.12 2.45 4.81 -1.99 -1.90 114.58 118.76 3kom h GLU 595 Ca 0.33 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3kom h GLU 595 Cb 0.53 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3kom h GLU 595 CO -0.73 0.63 0.05 -0.92 -0.73 0.00 0.00 179.01 177.31 3kom h TYR 596 N 0.97 0.18 -0.98 0.92 3.20 -1.73 -1.93 116.97 117.61 3kom h TYR 596 Ca 0.27 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.21 3kom h TYR 596 Cb -0.10 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.04 3kom h TYR 596 CO -0.02 0.26 0.62 0.87 -1.64 0.00 0.00 178.16 178.25 3kom h LYS 597 N 0.05 1.04 0.00 1.82 1.57 -0.88 -1.12 116.57 119.05 3kom h LYS 597 Ca 0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kom h LYS 597 Cb 0.16 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3kom h LYS 597 CO -0.00 0.69 0.00 1.63 -0.57 0.00 0.00 179.45 181.19 3kom n LYS 598 N -4.57 0.15 0.09 3.15 4.76 -0.73 -1.20 118.16 119.80 3kom n LYS 598 Ca 0.16 0.25 -0.17 0.00 -2.87 0.00 0.00 58.31 55.68 3kom n LYS 598 Cb 0.25 -1.72 -0.10 0.00 -1.84 0.00 0.00 35.03 31.62 3kom n LYS 598 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3kom h THR 599 N 0.00 1.39 -0.06 -0.18 1.35 -0.41 -3.15 112.91 111.84 3kom h THR 599 Ca 0.00 -2.62 -0.16 0.00 -0.55 0.00 0.00 66.41 63.08 3kom h THR 599 Cb 0.49 2.66 0.01 0.00 -1.73 0.00 0.00 68.15 69.58 3kom h THR 599 CO 0.00 0.78 -0.57 0.58 -0.25 0.00 0.00 175.52 176.06 3kom h VAL 600 N 0.20 1.38 -3.40 6.82 2.07 -1.19 -3.37 116.25 118.77 3kom h VAL 600 Ca -0.13 -1.94 -0.65 0.00 0.82 0.00 0.00 66.70 64.80 3kom h VAL 600 Cb 1.80 2.34 -0.40 0.00 -1.52 0.00 0.00 31.29 33.52 3kom h VAL 600 CO 0.20 0.58 -0.54 -0.63 0.02 0.00 0.00 177.57 177.19 3kom s ILE 601 N -3.50 2.94 0.25 4.57 1.01 -0.34 -4.74 121.20 121.40 3kom s ILE 601 Ca -0.13 -3.33 -0.31 0.00 0.00 0.00 0.00 60.65 56.88 3kom s ILE 601 Cb 0.05 -2.99 -0.12 0.00 0.01 0.00 0.00 42.46 39.41 3kom s ILE 601 CO 0.83 -0.84 1.58 0.29 0.00 0.00 0.00 174.94 176.80 3kom n LYS 602 N 3.08 2.53 0.18 2.79 5.02 -1.19 -4.45 118.16 126.12 3kom n LYS 602 Ca 0.07 0.90 0.06 0.00 -2.02 0.00 0.00 58.31 57.33 3kom n LYS 602 Cb 0.34 -2.67 0.23 0.00 -0.02 0.00 0.00 35.03 32.91 3kom n LYS 602 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 3kom h ASP 603 N 5.16 0.00 -0.43 4.39 3.58 -1.96 -3.30 116.42 123.86 3kom h ASP 603 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 3kom h ASP 603 Cb 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 3kom h ASP 603 CO 0.83 0.36 0.00 -0.90 -2.88 0.00 0.00 179.24 176.64 3kom n ASP 604 N -3.32 3.53 -4.27 2.28 5.75 -1.26 -1.75 116.55 117.50 3kom n ASP 604 Ca 0.01 -1.99 -0.22 0.00 -0.01 0.00 0.00 54.79 52.58 3kom n ASP 604 Cb 0.58 -0.28 -0.12 0.00 -1.03 0.00 0.00 41.12 40.27 3kom n ASP 604 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3kom s ILE 605 N -1.41 1.62 0.93 2.12 -4.36 -1.24 -4.81 121.20 114.04 3kom s ILE 605 Ca 0.40 -1.58 -0.11 0.00 -0.26 0.00 0.00 60.65 59.10 3kom s ILE 605 Cb 0.23 -1.53 0.15 0.00 1.25 0.00 0.00 42.46 42.56 3kom s ILE 605 CO 0.32 -0.14 1.09 -2.16 0.24 0.00 0.00 174.94 174.28 3kom s PRO 606 N -2.06 0.96 0.02 0.37 0.04 -1.26 -4.59 135.00 128.48 3kom s PRO 606 Ca 0.07 1.00 0.04 0.00 0.04 0.00 0.00 61.00 62.15 3kom s PRO 606 Cb -0.09 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 3kom s PRO 606 CO 0.04 -2.49 -0.12 0.00 0.04 0.00 0.00 177.00 174.46 3kom s ALA 607 N -2.80 1.02 -0.20 8.56 0.00 -0.68 -0.89 121.76 126.76 3kom s ALA 607 Ca 0.65 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.93 3kom s ALA 607 Cb -0.20 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.76 3kom s ALA 607 CO 0.58 0.20 -0.16 0.08 0.00 0.00 0.00 175.76 176.46 3kom s VAL 608 N -0.67 2.27 -0.17 0.00 1.01 -0.30 -1.84 120.40 120.70 3kom s VAL 608 Ca 0.02 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 3kom s VAL 608 Cb -0.07 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3kom s VAL 608 CO 0.01 0.44 0.35 -0.36 0.00 0.00 0.00 175.10 175.54 3kom s PHE 609 N 1.29 3.44 -0.13 5.22 0.40 -0.66 -0.76 117.98 126.78 3kom s PHE 609 Ca 0.03 0.64 -0.01 0.00 -0.60 0.00 0.00 56.93 57.00 3kom s PHE 609 Cb -0.14 -2.44 0.03 0.00 0.51 0.00 0.00 43.02 40.98 3kom s PHE 609 CO -0.10 0.14 -0.06 0.08 0.70 0.00 0.00 175.22 175.98 3kom s VAL 610 N 0.78 0.95 0.00 -0.44 1.01 -0.24 0.41 120.40 122.86 3kom s VAL 610 Ca 0.19 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.83 3kom s VAL 610 Cb -0.14 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.19 3kom s VAL 610 CO 0.06 0.27 0.00 1.21 0.00 0.00 0.00 175.10 176.64 3kom n GLU 611 N 4.95 0.00 -0.35 2.72 2.13 -0.91 -3.88 120.64 125.31 3kom n GLU 611 Ca -0.11 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.75 3kom n GLU 611 Cb 0.49 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.19 3kom n GLU 611 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kom n ALA 613 N -3.00 -0.92 -2.13 4.31 0.00 -1.26 -4.17 120.51 113.33 3kom n ALA 613 Ca 0.00 0.15 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 3kom n ALA 613 Cb 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 3kom n ALA 613 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3kom s GLN 614 N -2.00 4.22 -0.02 0.00 -0.44 -0.37 -1.39 119.66 119.65 3kom s GLN 614 Ca 0.00 2.05 0.22 0.00 -2.50 0.00 0.00 55.36 55.12 3kom s GLN 614 Cb 0.00 -3.82 0.66 0.00 -1.64 0.00 0.00 33.01 28.21 3kom s GLN 614 CO 0.00 -0.75 1.56 -0.35 0.50 0.00 0.00 175.29 176.25 3kom n PRO 615 N 6.50 2.94 0.00 1.67 -0.04 -1.26 -4.75 135.00 140.05 3kom n PRO 615 Ca 0.16 -2.71 0.00 0.00 -0.04 0.00 0.00 63.50 60.91 3kom n PRO 615 Cb 0.43 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 3kom n PRO 615 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kom n ASP 616 N 1.54 0.00 0.00 3.54 8.00 -1.26 -4.34 116.55 124.03 3kom n ASP 616 Ca 0.25 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.73 3kom n ASP 616 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 3kom n ASP 616 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3kom n TRP 618 N 2.16 0.00 0.22 1.24 7.02 -1.26 -4.64 117.44 122.17 3kom n TRP 618 Ca 0.00 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.63 3kom n TRP 618 Cb 0.00 -0.04 0.81 0.00 -2.42 0.00 0.00 31.31 29.66 3kom n TRP 618 CO 0.00 0.00 0.00 1.88 -2.02 0.00 0.00 177.69 177.55 3kom h TYR 619 N 0.00 0.00 -0.90 -5.99 0.05 -2.00 -0.04 116.97 108.09 3kom h TYR 619 Ca 0.00 0.00 0.23 0.00 0.05 0.00 0.00 58.73 59.01 3kom h TYR 619 Cb 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.68 3kom h TYR 619 CO 0.00 0.00 0.62 -0.22 -1.05 0.00 0.00 178.16 177.51 3kom h LYS 620 N 0.00 0.23 -4.76 4.88 3.64 -1.96 -3.47 116.57 115.12 3kom h LYS 620 Ca 0.07 -0.01 -0.67 0.00 -1.27 0.00 0.00 60.65 58.76 3kom h LYS 620 Cb 0.33 -0.05 -0.20 0.00 -0.41 0.00 0.00 32.23 31.90 3kom h LYS 620 CO -0.00 0.15 -0.51 0.71 -2.27 0.00 0.00 179.45 177.53 3kom s TYR 621 N -5.25 3.21 0.27 1.91 2.02 -0.03 -5.17 117.35 114.31 3kom s TYR 621 Ca -0.07 -0.32 0.09 0.00 -0.37 0.00 0.00 57.07 56.40 3kom s TYR 621 Cb 0.22 -2.42 -0.05 0.00 -0.40 0.00 0.00 41.96 39.31 3kom s TYR 621 CO 0.78 -0.38 -0.12 -1.25 -1.57 0.00 0.00 175.55 173.01 3kom s PRO 623 N 1.68 1.58 0.39 -1.71 0.04 -1.26 -5.07 135.00 130.65 3kom s PRO 623 Ca 0.06 -1.76 0.16 0.00 0.04 0.00 0.00 61.00 59.50 3kom s PRO 623 Cb -0.17 -1.39 1.04 0.00 0.04 0.00 0.00 34.50 34.02 3kom s PRO 623 CO 0.09 0.16 1.80 0.87 0.04 0.00 0.00 177.00 179.97 3kom h LYS 624 N 2.30 0.45 0.00 4.56 1.57 -1.84 -1.32 116.57 122.28 3kom h LYS 624 Ca -0.40 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3kom h LYS 624 Cb 1.24 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3kom h LYS 624 CO 0.65 0.29 0.00 0.00 -0.57 0.00 0.00 179.45 179.82 3kom n ALA 625 N -2.47 1.84 0.00 3.86 0.00 -0.72 -5.00 120.51 118.02 3kom n ALA 625 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3kom n ALA 625 Cb 0.76 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3kom n ALA 625 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kom n GLY 626 N 0.38 -0.71 0.00 0.00 0.00 -0.50 -4.46 105.19 99.90 3kom n GLY 626 Ca 0.04 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3kom n GLY 626 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kom n GLY 627 N 0.00 0.62 3.82 -0.02 0.00 -1.26 -1.69 105.19 106.67 3kom n GLY 627 Ca 0.00 -2.15 -0.08 0.00 0.00 0.00 0.00 46.02 43.80 3kom n GLY 627 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kom s GLU 628 N -0.52 1.85 0.04 1.61 -1.05 -0.76 -4.96 118.70 114.91 3kom s GLU 628 Ca 0.00 -1.10 0.06 0.00 -0.15 0.00 0.00 54.97 53.77 3kom s GLU 628 Cb 0.00 0.60 -0.03 0.00 -0.44 0.00 0.00 34.13 34.25 3kom s GLU 628 CO 0.00 -0.85 -0.12 0.14 0.95 0.00 0.00 175.26 175.39 3kom s VAL 629 N -3.63 3.27 -0.23 1.83 -7.23 -1.26 -1.66 120.40 111.49 3kom s VAL 629 Ca 0.13 -1.04 -0.01 0.00 -1.81 0.00 0.00 61.98 59.24 3kom s VAL 629 Cb -0.05 -2.44 0.07 0.00 0.56 0.00 0.00 36.38 34.52 3kom s VAL 629 CO 0.08 0.30 0.02 -0.75 -0.31 0.00 0.00 175.10 174.45 3kom s LYS 630 N -1.62 0.97 0.00 4.82 2.47 0.16 -4.91 119.74 121.63 3kom s LYS 630 Ca 0.17 -0.75 0.00 0.00 -1.56 0.00 0.00 55.97 53.83 3kom s LYS 630 Cb -0.11 -2.25 0.00 0.00 -1.46 0.00 0.00 37.83 34.01 3kom s LYS 630 CO 0.08 -0.71 0.00 0.41 0.16 0.00 0.00 175.35 175.30 3kom n GLY 631 N 4.88 5.53 3.03 5.54 0.00 -1.26 -2.13 105.19 120.78 3kom n GLY 631 Ca -0.08 -1.41 -0.24 0.00 0.00 0.00 0.00 46.02 44.30 3kom n GLY 631 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kom s ILE 632 N 0.58 1.06 -0.33 -0.61 2.07 -0.49 -4.88 121.20 118.62 3kom s ILE 632 Ca 0.00 -0.47 0.07 0.00 -1.41 0.00 0.00 60.65 58.84 3kom s ILE 632 Cb 0.00 -0.96 -0.08 0.00 0.13 0.00 0.00 42.46 41.55 3kom s ILE 632 CO 0.00 0.33 0.30 -1.22 -1.91 0.00 0.00 174.94 172.44 3kom n TYR 633 N 3.59 0.00 -3.60 3.50 4.02 -1.26 -3.20 117.16 120.22 3kom n TYR 633 Ca -0.21 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.46 3kom n TYR 633 Cb 0.52 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.81 3kom n TYR 633 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3kom s SER 634 N -1.74 4.98 0.92 7.72 1.04 -1.26 -5.10 113.70 120.27 3kom s SER 634 Ca 0.02 -0.81 -0.11 0.00 0.48 0.00 0.00 55.95 55.53 3kom s SER 634 Cb 0.05 -0.44 0.14 0.00 0.10 0.00 0.00 66.02 65.88 3kom s SER 634 CO 0.30 -0.72 1.09 -0.36 0.98 0.00 0.00 173.24 174.53 3kom s PHE 635 N -2.51 2.16 0.00 5.02 0.40 -1.26 -4.95 117.98 116.83 3kom s PHE 635 Ca 0.47 1.31 0.00 0.00 -0.60 0.00 0.00 56.93 58.11 3kom s PHE 635 Cb -0.03 -3.17 0.00 0.00 0.51 0.00 0.00 43.02 40.33 3kom s PHE 635 CO 0.27 -2.57 0.00 0.41 0.70 0.00 0.00 175.22 174.03 3kom n GLY 636 N -0.81 0.21 3.19 4.36 0.00 -1.26 -5.06 105.19 105.82 3kom n GLY 636 Ca 0.07 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 3kom n GLY 636 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kom s GLU 637 N 0.66 0.68 -0.56 1.61 0.41 -1.26 -4.55 118.70 115.69 3kom s GLU 637 Ca 0.00 -0.51 -0.25 0.00 -0.41 0.00 0.00 54.97 53.81 3kom s GLU 637 Cb 0.00 0.29 0.04 0.00 -1.78 0.00 0.00 34.13 32.68 3kom s GLU 637 CO 0.00 -0.19 0.97 0.45 -0.49 0.00 0.00 175.26 176.00 3kom s SER 638 N -1.86 6.35 0.14 -0.19 0.15 -1.26 -4.35 113.70 112.68 3kom s SER 638 Ca -0.08 -0.32 -0.25 0.00 0.70 0.00 0.00 55.95 56.00 3kom s SER 638 Cb -0.03 -2.45 0.07 0.00 -1.71 0.00 0.00 66.02 61.90 3kom s SER 638 CO -0.02 -1.26 0.79 0.00 1.20 0.00 0.00 173.24 173.95 3kom s ALA 639 N 4.07 -1.59 0.45 5.45 0.00 -1.26 -4.96 121.76 123.92 3kom s ALA 639 Ca 0.31 0.37 -0.23 0.00 0.00 0.00 0.00 51.96 52.41 3kom s ALA 639 Cb -0.12 0.69 -0.10 0.00 0.00 0.00 0.00 23.12 23.59 3kom s ALA 639 CO 0.20 -0.87 0.99 -2.30 0.00 0.00 0.00 175.76 173.77 3kom n PRO 640 N -0.38 1.27 -0.25 0.00 -0.02 -1.26 -2.32 135.00 132.03 3kom n PRO 640 Ca -0.09 0.46 0.05 0.00 -2.02 0.00 0.00 63.50 61.89 3kom n PRO 640 Cb 0.62 -2.05 0.15 0.00 -0.02 0.00 0.00 33.50 32.19 3kom n PRO 640 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kom h ALA 641 N 1.35 0.77 -0.82 3.55 0.00 -1.85 -0.72 119.26 121.54 3kom h ALA 641 Ca -0.45 0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.78 3kom h ALA 641 Cb 1.34 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 19.46 3kom h ALA 641 CO 0.56 -0.42 0.47 1.49 0.00 0.00 0.00 179.25 181.35 3kom h GLU 642 N 0.11 0.76 -0.25 0.00 4.81 -1.94 0.22 114.58 118.29 3kom h GLU 642 Ca 0.40 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.44 3kom h GLU 642 Cb 0.70 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3kom h GLU 642 CO -0.64 0.50 -0.44 -0.44 -0.73 0.00 0.00 179.01 177.26 3kom h ASP 643 N 0.78 0.67 -0.64 1.04 3.32 -1.50 -2.52 116.42 117.57 3kom h ASP 643 Ca 0.40 -0.31 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 3kom h ASP 643 Cb 0.36 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3kom h ASP 643 CO -0.25 1.01 0.16 -0.07 -1.72 0.00 0.00 179.24 178.38 3kom h LEU 644 N 0.50 0.97 -1.04 1.55 3.38 -0.71 -0.82 115.31 119.13 3kom h LEU 644 Ca 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3kom h LEU 644 Cb 0.97 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 3kom h LEU 644 CO 0.09 0.95 0.45 -0.26 0.09 0.00 0.00 178.44 179.75 3kom h PHE 645 N 0.95 1.09 -0.31 1.13 0.04 -0.74 -0.35 116.94 118.75 3kom h PHE 645 Ca 0.20 -0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.90 3kom h PHE 645 Cb 0.36 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3kom h PHE 645 CO 0.03 0.75 -0.01 0.87 -0.60 0.00 0.00 178.31 179.35 3kom h LYS 646 N 1.12 0.55 -0.74 1.51 1.57 -1.31 -0.03 116.57 119.24 3kom h LYS 646 Ca 0.28 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3kom h LYS 646 Cb 0.02 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 3kom h LYS 646 CO -0.05 0.70 0.43 -0.09 -0.57 0.00 0.00 179.45 179.86 3kom h ARG 647 N 0.34 1.02 -0.15 3.15 9.65 -0.68 -2.97 114.38 124.75 3kom h ARG 647 Ca 0.09 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3kom h ARG 647 Cb 0.45 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 3kom h ARG 647 CO 0.02 0.74 0.00 1.19 2.80 0.00 0.00 179.97 184.72 3kom n PHE 648 N -4.48 0.17 -0.87 2.20 3.72 -0.18 -4.97 117.46 113.05 3kom n PHE 648 Ca 0.07 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3kom n PHE 648 Cb 0.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 3kom n PHE 648 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kom n GLY 649 N 1.32 0.47 3.00 1.37 0.00 -0.49 -4.97 105.19 105.88 3kom n GLY 649 Ca 0.17 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 3kom n GLY 649 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kom n PHE 650 N -2.87 2.73 -4.21 1.61 3.01 -0.14 -4.41 117.46 113.18 3kom n PHE 650 Ca 0.00 -2.75 -0.17 0.00 1.01 0.00 0.00 57.45 55.54 3kom n PHE 650 Cb 0.00 -1.52 -0.11 0.00 -0.01 0.00 0.00 39.48 37.84 3kom n PHE 650 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3kom s THR 651 N -1.63 1.17 0.26 4.37 -4.23 -1.26 -4.67 115.64 109.64 3kom s THR 651 Ca 0.34 -1.63 -0.03 0.00 -1.18 0.00 0.00 61.69 59.19 3kom s THR 651 Cb 0.05 -1.41 0.25 0.00 1.34 0.00 0.00 72.50 72.74 3kom s THR 651 CO 0.06 -0.44 1.87 0.58 -0.54 0.00 0.00 174.62 176.15 3kom h VAL 652 N 3.64 1.06 -0.51 2.29 2.07 -1.92 -1.59 116.25 121.29 3kom h VAL 652 Ca -0.39 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 3kom h VAL 652 Cb 1.19 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3kom h VAL 652 CO 0.50 0.20 0.08 -0.33 0.02 0.00 0.00 177.57 178.03 3kom h GLU 653 N 1.09 0.85 -0.09 1.57 3.07 -1.96 -0.93 114.58 118.17 3kom h GLU 653 Ca 0.42 -0.23 -0.21 0.00 -0.50 0.00 0.00 59.36 58.84 3kom h GLU 653 Cb 0.19 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 28.02 3kom h GLU 653 CO -0.18 0.84 -0.76 -0.97 -1.40 0.00 0.00 179.01 176.54 3kom h ASN 654 N 0.73 0.83 -0.09 1.42 -0.00 -1.73 -0.94 115.58 115.79 3kom h ASN 654 Ca 0.15 -0.67 -0.11 0.00 -0.00 0.00 0.00 56.30 55.67 3kom h ASN 654 Cb 0.41 -0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 38.47 3kom h ASN 654 CO 0.01 1.37 -0.30 0.40 -0.00 0.00 0.00 177.43 178.92 3kom h ILE 655 N 0.36 1.28 -0.77 2.57 1.08 -1.30 -1.64 117.51 119.09 3kom h ILE 655 Ca -0.07 -1.39 0.02 0.00 -0.39 0.00 0.00 64.86 63.04 3kom h ILE 655 Cb 1.41 1.39 -0.04 0.00 -3.07 0.00 0.00 36.82 36.51 3kom h ILE 655 CO 0.15 0.44 0.50 0.28 -0.69 0.00 0.00 178.15 178.83 3kom h SER 656 N 0.49 0.83 0.02 1.72 0.02 -1.03 -0.88 113.55 114.72 3kom h SER 656 Ca 0.06 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 3kom h SER 656 Cb 0.76 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 3kom h SER 656 CO 0.06 0.58 -0.21 0.78 -1.14 0.00 0.00 176.83 176.91 3kom h ASN 657 N 0.98 0.33 -0.12 3.07 2.35 -0.43 -0.28 115.58 121.49 3kom h ASN 657 Ca 0.30 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3kom h ASN 657 Cb -0.03 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 3kom h ASN 657 CO -0.09 0.56 -0.03 0.40 -1.65 0.00 0.00 177.43 176.62 3kom h ILE 658 N 0.31 1.29 -0.62 2.81 2.04 -0.87 -3.10 117.51 119.37 3kom h ILE 658 Ca 0.05 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 64.98 3kom h ILE 658 Cb 0.55 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 3kom h ILE 658 CO 0.04 0.27 0.41 0.58 0.00 0.00 0.00 178.15 179.45 3kom h VAL 659 N -0.08 1.15 0.00 1.67 2.07 -0.80 -2.69 116.25 117.56 3kom h VAL 659 Ca 0.03 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3kom h VAL 659 Cb 0.43 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3kom h VAL 659 CO 0.01 0.15 -0.01 0.00 0.02 0.00 0.00 177.57 177.74 3kom h ALA 660 N 1.62 1.38 0.00 1.67 0.00 -0.97 -0.93 119.26 122.03 3kom h ALA 660 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kom h ALA 660 Cb -0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kom h ALA 660 CO -0.05 0.01 -0.02 0.87 0.00 0.00 0.00 179.25 180.06 3kom h LYS 661 N 0.00 0.00 0.00 0.00 1.57 -1.52 -3.25 116.57 113.37 3kom h LYS 661 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kom h LYS 661 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3kom h LYS 661 CO 0.00 0.02 -1.30 0.66 -0.57 0.00 0.00 179.45 178.25 3kom n TYR 662 N -3.17 0.00 -0.08 -1.35 4.02 -0.36 -5.18 117.16 111.04 3kom n TYR 662 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3kom n TYR 662 Cb 0.18 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.30 3kom n TYR 662 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18