#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iuk s ARG 9 N 0.00 4.05 0.46 1.45 3.52 -1.26 -5.04 118.95 122.13 3iuk s ARG 9 Ca 0.00 0.72 -0.21 0.00 -0.13 0.00 0.00 55.73 56.11 3iuk s ARG 9 Cb 0.00 -3.69 -0.09 0.00 -1.56 0.00 0.00 34.95 29.60 3iuk s ARG 9 CO 0.00 -0.61 1.01 -1.25 -0.81 0.00 0.00 175.30 173.64 3iuk s PRO 10 N 2.91 3.97 0.23 5.12 0.04 -1.26 -4.92 135.00 141.09 3iuk s PRO 10 Ca 0.33 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.38 3iuk s PRO 10 Cb -0.14 -2.17 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 3iuk s PRO 10 CO 0.11 -0.28 1.24 0.15 0.04 0.00 0.00 177.00 178.25 3iuk s LYS 11 N -3.13 4.46 0.67 4.56 1.02 -1.26 -5.03 119.74 121.03 3iuk s LYS 11 Ca 0.65 1.98 0.02 0.00 0.02 0.00 0.00 55.97 58.64 3iuk s LYS 11 Cb -0.15 -3.19 0.11 0.00 -0.52 0.00 0.00 37.83 34.08 3iuk s LYS 11 CO 0.19 -0.11 0.92 -1.54 -0.92 0.00 0.00 175.35 173.89 3iuk s SER 12 N -0.06 4.61 0.26 2.83 1.04 -1.26 -4.92 113.70 116.20 3iuk s SER 12 Ca 0.52 -0.44 -0.03 0.00 0.48 0.00 0.00 55.95 56.48 3iuk s SER 12 Cb -0.35 -0.03 0.33 0.00 0.10 0.00 0.00 66.02 66.08 3iuk s SER 12 CO 0.40 -1.67 1.81 0.00 0.98 0.00 0.00 173.24 174.76 3iuk h ALA 13 N -0.30 1.16 -0.57 5.32 0.00 -1.97 -1.02 119.26 121.88 3iuk h ALA 13 Ca -0.35 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 3iuk h ALA 13 Cb 1.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3iuk h ALA 13 CO 0.41 0.58 0.09 0.82 0.00 0.00 0.00 179.25 181.15 3iuk h ILE 14 N 0.89 1.26 -0.75 0.00 2.04 -1.94 -1.18 117.51 117.82 3iuk h ILE 14 Ca 0.20 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 3iuk h ILE 14 Cb 0.29 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 3iuk h ILE 14 CO -0.00 0.36 0.44 0.44 0.00 0.00 0.00 178.15 179.39 3iuk h ASP 15 N 0.84 0.90 -0.31 1.72 3.32 -1.85 -1.45 116.42 119.60 3iuk h ASP 15 Ca 0.17 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3iuk h ASP 15 Cb 0.42 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3iuk h ASP 15 CO 0.01 0.70 0.19 0.00 -1.72 0.00 0.00 179.24 178.43 3iuk h ALA 16 N 1.45 0.40 -0.78 3.45 0.00 -0.59 0.20 119.26 123.39 3iuk h ALA 16 Ca 0.27 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3iuk h ALA 16 Cb -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3iuk h ALA 16 CO -0.05 -0.11 0.51 0.28 0.00 0.00 0.00 179.25 179.88 3iuk h VAL 17 N 0.41 1.17 -0.61 0.00 2.07 -0.97 -0.75 116.25 117.57 3iuk h VAL 17 Ca 0.11 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 3iuk h VAL 17 Cb -0.00 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.79 3iuk h VAL 17 CO -0.02 0.19 0.18 0.00 0.02 0.00 0.00 177.57 177.94 3iuk h ALA 18 N 1.30 0.80 -0.49 1.67 0.00 -0.90 -0.72 119.26 120.93 3iuk h ALA 18 Ca 0.30 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3iuk h ALA 18 Cb -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3iuk h ALA 18 CO -0.08 0.48 -0.18 -0.44 0.00 0.00 0.00 179.25 179.03 3iuk h ASP 19 N 0.88 0.99 -0.39 0.00 3.32 -0.44 -1.21 116.42 119.58 3iuk h ASP 19 Ca 0.20 -0.36 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 3iuk h ASP 19 Cb 0.30 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3iuk h ASP 19 CO -0.00 1.14 -0.08 0.00 -1.72 0.00 0.00 179.24 178.58 3iuk h ALA 20 N 0.93 0.53 -0.41 3.45 0.00 -0.89 -0.70 119.26 122.17 3iuk h ALA 20 Ca 0.12 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3iuk h ALA 20 Cb 0.75 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3iuk h ALA 20 CO 0.06 0.39 0.26 -0.92 0.00 0.00 0.00 179.25 179.04 3iuk h TYR 21 N 0.55 0.50 -0.50 0.00 3.20 -1.07 -0.79 116.97 118.86 3iuk h TYR 21 Ca 0.10 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.04 3iuk h TYR 21 Cb 0.59 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 3iuk h TYR 21 CO 0.05 0.31 0.21 1.15 -1.64 0.00 0.00 178.16 178.24 3iuk h THR 22 N 0.54 0.89 -0.93 1.81 2.02 -0.97 -0.49 112.91 115.78 3iuk h THR 22 Ca 0.16 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.23 3iuk h THR 22 Cb -0.04 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 66.74 3iuk h THR 22 CO -0.05 0.08 0.61 -0.33 0.37 0.00 0.00 175.52 176.20 3iuk h GLU 23 N 0.42 1.13 -0.58 6.66 5.08 -0.43 -1.34 114.58 125.52 3iuk h GLU 23 Ca 0.23 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 3iuk h GLU 23 Cb 0.21 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3iuk h GLU 23 CO -0.21 0.75 0.04 -0.22 -1.00 0.00 0.00 179.01 178.37 3iuk h LYS 24 N 1.17 0.97 -0.77 2.33 1.63 -0.10 0.16 116.57 121.96 3iuk h LYS 24 Ca 0.37 -0.27 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 3iuk h LYS 24 Cb 0.01 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.50 3iuk h LYS 24 CO -0.11 0.94 0.44 -0.07 -3.45 0.00 0.00 179.45 177.20 3iuk h LEU 25 N 0.90 0.95 -0.39 5.20 3.38 -0.15 0.22 115.31 125.43 3iuk h LEU 25 Ca 0.17 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3iuk h LEU 25 Cb 0.48 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3iuk h LEU 25 CO 0.02 0.76 0.14 0.40 0.09 0.00 0.00 178.44 179.85 3iuk h ILE 26 N 1.07 1.21 -0.56 1.22 2.04 -0.93 0.95 117.51 122.50 3iuk h ILE 26 Ca 0.27 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 3iuk h ILE 26 Cb 0.00 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3iuk h ILE 26 CO -0.05 0.23 0.34 -0.08 0.00 0.00 0.00 178.15 178.59 3iuk h GLU 27 N 0.48 0.77 -0.01 2.37 4.81 -0.57 -2.98 114.58 119.46 3iuk h GLU 27 Ca 0.13 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.14 3iuk h GLU 27 Cb 0.23 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3iuk h GLU 27 CO -0.01 0.56 -0.68 -0.07 -0.73 0.00 0.00 179.01 178.08 3iuk h LEU 28 N 0.76 0.06 -7.08 1.64 3.38 -0.41 -3.39 115.31 110.26 3iuk h LEU 28 Ca 0.20 -0.04 -0.62 0.00 0.09 0.00 0.00 57.88 57.51 3iuk h LEU 28 Cb -0.01 -0.02 -0.41 0.00 0.09 0.00 0.00 40.66 40.31 3iuk h LEU 28 CO -0.04 0.72 -0.68 0.21 0.09 0.00 0.00 178.44 178.75 3iuk s ASN 29 N -6.84 3.97 0.53 -0.43 2.47 0.31 -4.36 114.94 110.59 3iuk s ASN 29 Ca -0.02 -3.11 0.24 0.00 0.42 0.00 0.00 52.86 50.40 3iuk s ASN 29 Cb 0.12 -1.33 1.45 0.00 -1.45 0.00 0.00 41.25 40.05 3iuk s ASN 29 CO 0.78 -0.20 2.13 1.55 -3.72 0.00 0.00 177.10 177.64 3iuk h PRO 30 N 6.22 0.00 -0.48 0.43 0.14 -1.77 -1.12 132.00 135.41 3iuk h PRO 30 Ca 0.03 0.00 -0.00 0.00 0.14 0.00 0.00 66.00 66.17 3iuk h PRO 30 Cb 0.87 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 31.99 3iuk h PRO 30 CO 0.60 0.08 0.29 0.77 0.14 0.00 0.00 178.00 179.88 3iuk h SER 31 N 0.00 0.56 -0.44 1.44 0.02 -1.84 -1.55 113.55 111.73 3iuk h SER 31 Ca -0.00 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 3iuk h SER 31 Cb 0.18 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3iuk h SER 31 CO 0.01 0.42 0.13 0.15 -1.14 0.00 0.00 176.83 176.40 3iuk h PHE 32 N 0.65 0.78 -0.65 3.45 3.57 -1.55 -1.64 116.94 121.55 3iuk h PHE 32 Ca 0.17 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 3iuk h PHE 32 Cb -0.04 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 3iuk h PHE 32 CO 0.00 0.66 0.10 0.00 -2.23 0.00 0.00 178.31 176.85 3iuk h ALA 33 N 1.40 0.87 -0.29 2.41 0.00 -1.28 -1.33 119.26 121.04 3iuk h ALA 33 Ca 0.17 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 3iuk h ALA 33 Cb 0.27 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3iuk h ALA 33 CO -0.00 0.63 -0.52 1.79 0.00 0.00 0.00 179.25 181.15 3iuk h THR 34 N 1.00 1.28 0.00 0.00 1.35 -1.16 0.47 112.91 115.85 3iuk h THR 34 Ca 0.20 -1.72 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 3iuk h THR 34 Cb 0.44 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3iuk h THR 34 CO 0.01 0.56 0.00 0.35 -0.25 0.00 0.00 175.52 176.19 3iuk n THR 35 N -4.01 0.92 1.26 6.82 -2.24 -0.64 -1.00 114.28 115.39 3iuk n THR 35 Ca -0.04 0.29 0.13 0.00 -2.27 0.00 0.00 64.05 62.16 3iuk n THR 35 Cb 0.61 -1.20 0.33 0.00 -2.10 0.00 0.00 70.33 67.97 3iuk n THR 35 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3iuk n LEU 36 N -2.06 1.78 0.00 3.22 4.77 -0.51 -4.96 117.00 119.23 3iuk n LEU 36 Ca 0.02 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 3iuk n LEU 36 Cb 0.19 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3iuk n LEU 36 CO 0.17 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3iuk n GLY 37 N 1.29 0.71 3.68 -0.72 0.00 -0.17 -5.02 105.19 104.95 3iuk n GLY 37 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3iuk n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iuk s LEU 38 N 0.00 4.24 1.04 0.99 1.43 0.07 -4.98 118.68 121.46 3iuk s LEU 38 Ca 0.00 1.73 -0.14 0.00 -1.03 0.00 0.00 54.13 54.69 3iuk s LEU 38 Cb 0.00 -3.55 0.21 0.00 0.03 0.00 0.00 46.19 42.88 3iuk s LEU 38 CO 0.00 -0.63 1.12 -2.16 0.23 0.00 0.00 176.35 174.91 3iuk s PRO 39 N 2.62 0.10 0.00 1.29 0.04 -1.26 -4.17 135.00 133.62 3iuk s PRO 39 Ca 0.54 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.85 3iuk s PRO 39 Cb -0.23 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3iuk s PRO 39 CO 0.19 -2.90 0.00 0.41 0.04 0.00 0.00 177.00 174.74 3iuk n GLY 40 N -1.37 3.23 2.59 0.56 0.00 -1.26 -4.94 105.19 104.00 3iuk n GLY 40 Ca 0.08 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 3iuk n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3iuk n HIS 41 N 0.00 1.74 0.25 1.61 8.25 -1.26 -4.90 115.22 120.91 3iuk n HIS 41 Ca 0.00 -2.99 0.12 0.00 -0.26 0.00 0.00 57.72 54.59 3iuk n HIS 41 Cb 0.00 -0.31 0.68 0.00 1.12 0.00 0.00 29.99 31.48 3iuk n HIS 41 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3iuk h GLU 42 N 2.89 0.00 -0.02 -0.41 3.07 -1.90 -2.96 114.58 115.25 3iuk h GLU 42 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3iuk h GLU 42 Cb 1.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 3iuk h GLU 42 CO 0.60 0.14 -0.20 0.25 -1.40 0.00 0.00 179.01 178.40 3iuk n THR 43 N -3.70 0.00 -3.98 1.13 -2.24 -1.26 -4.76 114.28 99.48 3iuk n THR 43 Ca -0.02 -0.40 -0.29 0.00 -2.27 0.00 0.00 64.05 61.07 3iuk n THR 43 Cb 0.26 1.37 -0.05 0.00 -2.10 0.00 0.00 70.33 69.81 3iuk n THR 43 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3iuk s GLU 44 N -2.10 3.23 0.19 -0.78 2.02 -1.12 -3.96 118.70 116.19 3iuk s GLU 44 Ca 0.22 -0.59 0.09 0.00 0.02 0.00 0.00 54.97 54.72 3iuk s GLU 44 Cb 0.18 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 3iuk s GLU 44 CO 0.40 0.56 -0.09 0.71 0.02 0.00 0.00 175.26 176.87 3iuk s TYR 45 N -1.56 2.64 1.02 1.61 2.02 -1.26 -3.65 117.35 118.17 3iuk s TYR 45 Ca 0.33 -0.22 -0.12 0.00 -0.37 0.00 0.00 57.07 56.69 3iuk s TYR 45 Cb -0.12 -1.27 0.17 0.00 -0.40 0.00 0.00 41.96 40.34 3iuk s TYR 45 CO 0.26 0.53 0.88 0.00 -1.57 0.00 0.00 175.55 175.65 3iuk n GLN 46 N -0.08 -1.13 -2.95 -0.62 10.64 -1.26 -4.65 117.38 117.32 3iuk n GLN 46 Ca -0.10 -0.28 -0.43 0.00 -1.83 0.00 0.00 57.00 54.36 3iuk n GLN 46 Cb 0.56 -2.17 -0.05 0.00 -0.86 0.00 0.00 30.24 27.72 3iuk n GLN 46 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 3iuk s ASP 47 N -2.39 6.36 0.00 2.61 -1.08 -1.26 -4.83 116.67 116.07 3iuk s ASP 47 Ca 0.65 -0.32 0.25 0.00 -0.52 0.00 0.00 52.55 52.61 3iuk s ASP 47 Cb -0.22 -2.39 1.10 0.00 -1.46 0.00 0.00 42.92 39.95 3iuk s ASP 47 CO 0.62 -1.02 1.76 -1.22 0.52 0.00 0.00 175.17 175.84 3iuk n TYR 48 N 6.88 0.06 -1.91 -5.34 4.01 -1.26 -4.26 117.16 115.35 3iuk n TYR 48 Ca 0.01 -0.03 -0.29 0.00 -0.16 0.00 0.00 57.90 57.42 3iuk n TYR 48 Cb 0.47 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.60 3iuk n TYR 48 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3iuk s SER 49 N -1.82 4.40 0.28 7.72 1.04 -1.18 -3.92 113.70 120.22 3iuk s SER 49 Ca 0.37 0.73 0.01 0.00 0.48 0.00 0.00 55.95 57.54 3iuk s SER 49 Cb 0.19 -1.19 0.52 0.00 0.10 0.00 0.00 66.02 65.64 3iuk s SER 49 CO 0.30 -1.97 1.86 -0.65 0.98 0.00 0.00 173.24 173.76 3iuk h PRO 50 N -1.10 1.01 -0.72 4.02 0.11 -1.86 -1.32 132.00 132.14 3iuk h PRO 50 Ca -0.46 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 3iuk h PRO 50 Cb 1.32 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3iuk h PRO 50 CO 0.64 0.67 0.35 0.00 -0.21 0.00 0.00 178.00 179.45 3iuk h ALA 51 N 1.52 1.27 -0.36 -0.75 0.00 -1.93 -0.34 119.26 118.66 3iuk h ALA 51 Ca 0.47 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.27 3iuk h ALA 51 Cb 0.38 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3iuk h ALA 51 CO -0.22 0.57 0.16 0.78 0.00 0.00 0.00 179.25 180.54 3iuk h GLY 52 N 1.07 0.48 1.25 0.00 0.00 -1.46 -1.87 103.07 102.54 3iuk h GLY 52 Ca 0.25 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.37 3iuk h GLY 52 CO -0.03 0.07 -0.07 0.00 0.00 0.00 0.00 176.54 176.51 3iuk h ALA 53 N 1.20 0.94 -0.77 3.60 0.00 -0.76 -1.91 119.26 121.56 3iuk h ALA 53 Ca 0.15 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3iuk h ALA 53 Cb 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3iuk h ALA 53 CO -0.12 0.63 0.31 0.00 0.00 0.00 0.00 179.25 180.07 3iuk h ALA 54 N 1.11 1.09 -0.43 0.00 0.00 -1.00 -0.89 119.26 119.14 3iuk h ALA 54 Ca 0.14 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3iuk h ALA 54 Cb 0.58 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3iuk h ALA 54 CO 0.04 0.65 0.01 0.00 0.00 0.00 0.00 179.25 179.94 3iuk h ALA 55 N 1.22 0.58 -0.13 0.00 0.00 -1.04 -0.27 119.26 119.61 3iuk h ALA 55 Ca 0.26 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iuk h ALA 55 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3iuk h ALA 55 CO -0.02 0.36 0.08 1.25 0.00 0.00 0.00 179.25 180.91 3iuk h HIS 56 N 0.59 0.17 -0.81 0.00 6.17 -1.15 -1.82 115.15 118.30 3iuk h HIS 56 Ca 0.12 -0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.21 3iuk h HIS 56 Cb 0.48 -0.06 -0.04 0.00 2.52 0.00 0.00 27.41 30.31 3iuk h HIS 56 CO 0.04 0.15 0.53 0.00 0.71 0.00 0.00 177.93 179.35 3iuk h ALA 57 N 1.01 1.41 -0.30 5.26 0.00 -0.97 -0.96 119.26 124.71 3iuk h ALA 57 Ca 0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3iuk h ALA 57 Cb 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3iuk h ALA 57 CO -0.01 0.55 -0.02 1.49 0.00 0.00 0.00 179.25 181.26 3iuk h GLU 58 N 1.11 0.54 -0.60 0.00 4.57 -0.67 0.93 114.58 120.46 3iuk h GLU 58 Ca 0.30 -0.18 0.05 0.00 -1.18 0.00 0.00 59.36 58.34 3iuk h GLU 58 Cb -0.12 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.38 3iuk h GLU 58 CO -0.06 0.70 0.33 0.00 -1.18 0.00 0.00 179.01 178.80 3iuk h ALA 59 N 0.82 0.78 -0.21 2.92 0.00 -0.93 0.72 119.26 123.37 3iuk h ALA 59 Ca 0.08 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3iuk h ALA 59 Cb 0.47 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3iuk h ALA 59 CO 0.02 0.01 0.07 1.15 0.00 0.00 0.00 179.25 180.49 3iuk h THR 60 N 0.62 0.95 -0.78 0.00 2.02 -0.80 0.05 112.91 114.96 3iuk h THR 60 Ca 0.26 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.35 3iuk h THR 60 Cb 0.14 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 3iuk h THR 60 CO -0.16 0.03 0.36 -0.09 0.37 0.00 0.00 175.52 176.03 3iuk h ARG 61 N 0.17 1.13 -0.21 6.66 2.43 -0.37 -1.59 114.38 122.60 3iuk h ARG 61 Ca 0.09 -0.17 -0.11 0.00 -0.81 0.00 0.00 59.98 58.98 3iuk h ARG 61 Cb 0.06 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3iuk h ARG 61 CO -0.09 0.88 -0.33 -0.07 -1.51 0.00 0.00 179.97 178.85 3iuk h LEU 62 N 1.12 0.45 -0.26 3.80 3.38 -0.53 -1.52 115.31 121.75 3iuk h LEU 62 Ca 0.27 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3iuk h LEU 62 Cb 0.14 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3iuk h LEU 62 CO -0.03 0.76 -0.04 0.00 0.09 0.00 0.00 178.44 179.22 3iuk h ALA 63 N 1.27 0.35 -0.30 1.53 0.00 -0.54 -1.23 119.26 120.34 3iuk h ALA 63 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3iuk h ALA 63 Cb 0.76 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3iuk h ALA 63 CO 0.06 0.13 0.20 -0.07 0.00 0.00 0.00 179.25 179.57 3iuk h LEU 64 N 0.24 0.34 -0.50 0.00 3.38 -1.19 -1.63 115.31 115.93 3iuk h LEU 64 Ca 0.07 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.11 3iuk h LEU 64 Cb 0.49 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 3iuk h LEU 64 CO 0.02 0.25 0.11 -0.33 0.09 0.00 0.00 178.44 178.58 3iuk h GLU 65 N 0.40 0.24 -0.94 1.13 5.08 -1.20 -1.14 114.58 118.17 3iuk h GLU 65 Ca 0.11 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3iuk h GLU 65 Cb -0.05 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 3iuk h GLU 65 CO -0.02 0.16 0.56 0.00 -1.00 0.00 0.00 179.01 178.70 3iuk h ALA 66 N 1.39 1.22 0.00 3.43 0.00 -0.88 -1.82 119.26 122.60 3iuk h ALA 66 Ca 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3iuk h ALA 66 Cb 0.34 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3iuk h ALA 66 CO -0.32 0.66 -0.05 -0.07 0.00 0.00 0.00 179.25 179.46 3iuk h LEU 67 N 1.29 0.00 -0.77 0.00 3.38 -0.71 -3.38 115.31 115.12 3iuk h LEU 67 Ca 0.34 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.33 3iuk h LEU 67 Cb -0.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3iuk h LEU 67 CO -0.06 0.05 0.50 0.00 0.09 0.00 0.00 178.44 179.02 3iuk h ALA 68 N 1.95 1.01 -0.55 1.53 0.00 -0.32 -2.28 119.26 120.59 3iuk h ALA 68 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iuk h ALA 68 Cb 0.60 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3iuk h ALA 68 CO 0.01 0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.99 3iuk n GLY 69 N -1.31 2.89 3.39 0.00 0.00 -1.26 -4.90 105.19 104.00 3iuk n GLY 69 Ca 0.09 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 3iuk n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iuk s LEU 70 N -2.56 4.71 0.41 0.99 1.43 -0.86 -5.08 118.68 117.72 3iuk s LEU 70 Ca 0.52 -0.94 -0.25 0.00 -1.03 0.00 0.00 54.13 52.43 3iuk s LEU 70 Cb 0.39 -2.04 -0.08 0.00 0.03 0.00 0.00 46.19 44.49 3iuk s LEU 70 CO 0.16 -0.37 1.15 -1.61 0.23 0.00 0.00 176.35 175.91 3iuk s GLU 71 N 1.57 4.03 0.37 1.70 0.41 -1.26 -5.01 118.70 120.51 3iuk s GLU 71 Ca 0.03 1.79 -0.27 0.00 -0.41 0.00 0.00 54.97 56.11 3iuk s GLU 71 Cb -0.19 -2.62 -0.09 0.00 -1.78 0.00 0.00 34.13 29.44 3iuk s GLU 71 CO 0.07 -0.33 1.25 -1.25 -0.49 0.00 0.00 175.26 174.51 3iuk s PRO 72 N -2.37 4.18 0.15 0.39 0.04 -1.26 -4.95 135.00 131.18 3iuk s PRO 72 Ca 0.58 2.07 0.22 0.00 0.04 0.00 0.00 61.00 63.91 3iuk s PRO 72 Cb -0.29 -2.89 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 3iuk s PRO 72 CO 0.37 -0.28 0.95 -1.13 0.04 0.00 0.00 177.00 176.95 3iuk n SER 73 N 0.44 0.69 -3.04 6.66 3.41 -1.26 -4.99 113.62 115.53 3iuk n SER 73 Ca 0.02 0.24 -0.08 0.00 -0.26 0.00 0.00 58.87 58.78 3iuk n SER 73 Cb 0.44 0.72 0.02 0.00 -0.26 0.00 0.00 64.21 65.13 3iuk n SER 73 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3iuk s ASP 74 N -5.10 -0.02 0.58 4.04 1.47 -1.26 -5.03 116.67 111.35 3iuk s ASP 74 Ca -0.01 -1.07 0.27 0.00 1.18 0.00 0.00 52.55 52.92 3iuk s ASP 74 Cb 0.11 0.82 1.69 0.00 -0.34 0.00 0.00 42.92 45.19 3iuk s ASP 74 CO 0.81 -1.62 2.21 0.44 0.68 0.00 0.00 175.17 177.69 3iuk h ASP 75 N 2.00 0.00 -0.30 2.11 3.32 -1.99 -2.08 116.42 119.48 3iuk h ASP 75 Ca -0.31 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.67 3iuk h ASP 75 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 3iuk h ASP 75 CO 0.39 0.00 -0.11 0.58 -1.72 0.00 0.00 179.24 178.37 3iuk h VAL 76 N 0.00 1.29 -0.92 -1.35 2.07 -1.97 -2.48 116.25 112.88 3iuk h VAL 76 Ca 0.02 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.37 3iuk h VAL 76 Cb 0.10 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 3iuk h VAL 76 CO -0.00 0.38 0.61 0.44 0.02 0.00 0.00 177.57 179.02 3iuk h ASP 77 N 0.36 1.04 -0.68 0.57 3.32 -1.79 -0.69 116.42 118.55 3iuk h ASP 77 Ca 0.07 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 3iuk h ASP 77 Cb 0.62 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 3iuk h ASP 77 CO 0.04 0.75 0.23 0.00 -1.72 0.00 0.00 179.24 178.54 3iuk h ALA 78 N 1.35 0.89 -0.15 3.45 0.00 -1.31 0.27 119.26 123.75 3iuk h ALA 78 Ca 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3iuk h ALA 78 Cb -0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3iuk h ALA 78 CO -0.09 0.54 0.00 0.28 0.00 0.00 0.00 179.25 179.99 3iuk h VAL 79 N 0.98 1.25 -0.37 0.00 2.07 -1.08 -2.12 116.25 116.99 3iuk h VAL 79 Ca 0.22 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 66.96 3iuk h VAL 79 Cb 0.27 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 3iuk h VAL 79 CO -0.01 0.25 0.07 0.74 0.02 0.00 0.00 177.57 178.63 3iuk h THR 80 N 0.02 0.81 -0.52 2.57 2.02 -0.60 0.16 112.91 117.37 3iuk h THR 80 Ca 0.04 -0.07 0.06 0.00 0.77 0.00 0.00 66.41 67.21 3iuk h THR 80 Cb 0.37 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 3iuk h THR 80 CO 0.01 0.03 0.24 -0.07 0.37 0.00 0.00 175.52 176.10 3iuk h LEU 81 N 0.19 0.31 -0.23 2.58 3.38 -0.46 -2.89 115.31 118.19 3iuk h LEU 81 Ca 0.17 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 3iuk h LEU 81 Cb 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3iuk h LEU 81 CO -0.23 0.21 0.00 -0.78 0.09 0.00 0.00 178.44 177.74 3iuk h ASP 82 N 0.46 0.40 0.00 -0.43 3.58 -0.76 -0.82 116.42 118.84 3iuk h ASP 82 Ca 0.24 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.38 3iuk h ASP 82 Cb 0.19 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.13 3iuk h ASP 82 CO -0.19 0.60 0.00 0.00 -2.88 0.00 0.00 179.24 176.77 3iuk n ALA 83 N -2.34 1.38 0.00 -0.78 0.00 0.50 -1.42 120.51 117.85 3iuk n ALA 83 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3iuk n ALA 83 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3iuk n ALA 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3iuk n ARG 85 N 0.42 0.00 0.38 0.00 1.74 -0.31 -0.80 116.66 118.08 3iuk n ARG 85 Ca 0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 3iuk n ARG 85 Cb 0.06 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.42 3iuk n ARG 85 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3iuk h GLU 86 N 0.00 -0.90 0.02 5.56 4.22 -1.48 -1.18 114.58 120.82 3iuk h GLU 86 Ca 0.00 0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.50 3iuk h GLU 86 Cb 0.00 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3iuk h GLU 86 CO 0.00 -0.59 -0.01 0.00 -2.18 0.00 0.00 179.01 176.23 3iuk h ARG 87 N -1.00 -0.03 -0.38 1.92 2.47 -1.22 -2.04 114.38 114.10 3iuk h ARG 87 Ca -0.10 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.47 3iuk h ARG 87 Cb 0.74 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.06 3iuk h ARG 87 CO 0.16 0.16 -0.39 -0.07 0.56 0.00 0.00 179.97 180.39 3iuk h LEU 88 N -0.22 0.99 -0.80 3.04 4.07 -1.78 -0.85 115.31 119.76 3iuk h LEU 88 Ca -0.00 -0.45 -0.04 0.00 0.08 0.00 0.00 57.88 57.46 3iuk h LEU 88 Cb 0.21 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.63 3iuk h LEU 88 CO 0.01 1.25 0.33 1.23 -1.08 0.00 0.00 178.44 180.17 3iuk h GLY 89 N 0.79 1.28 1.18 0.83 0.00 -1.25 -1.84 103.07 104.05 3iuk h GLY 89 Ca 0.06 -0.69 -0.12 0.00 0.00 0.00 0.00 47.33 46.58 3iuk h GLY 89 CO 0.10 0.65 -0.16 -2.00 0.00 0.00 0.00 176.54 175.12 3iuk h LEU 90 N 1.16 0.96 -0.64 3.11 5.85 -1.04 -2.12 115.31 122.60 3iuk h LEU 90 Ca 0.27 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3iuk h LEU 90 Cb 0.20 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3iuk h LEU 90 CO -0.02 1.11 0.40 -0.33 -0.34 0.00 0.00 178.44 179.26 3iuk h GLU 91 N 0.84 0.78 -0.49 1.25 5.08 -0.71 -1.08 114.58 120.25 3iuk h GLU 91 Ca 0.12 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 3iuk h GLU 91 Cb 0.72 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3iuk h GLU 91 CO 0.06 0.52 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.41 3iuk h LEU 92 N 0.80 0.90 -0.71 1.33 3.38 -1.14 -1.95 115.31 117.93 3iuk h LEU 92 Ca 0.25 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3iuk h LEU 92 Cb -0.02 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3iuk h LEU 92 CO -0.09 1.01 0.44 -0.33 0.09 0.00 0.00 178.44 179.57 3iuk h GLU 93 N 0.81 0.84 -0.43 1.13 5.08 -0.68 -0.91 114.58 120.43 3iuk h GLU 93 Ca 0.13 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3iuk h GLU 93 Cb 0.62 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3iuk h GLU 93 CO 0.04 0.56 -0.09 0.82 -1.00 0.00 0.00 179.01 179.35 3iuk h ILE 94 N 0.87 1.27 -0.24 3.13 2.04 -1.09 -1.72 117.51 121.76 3iuk h ILE 94 Ca 0.28 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 64.97 3iuk h ILE 94 Cb 0.01 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3iuk h ILE 94 CO -0.11 0.40 0.15 -0.74 0.00 0.00 0.00 178.15 177.86 3iuk h HIS 95 N 0.64 0.28 0.00 1.37 2.76 -1.16 -2.18 115.15 116.87 3iuk h HIS 95 Ca 0.11 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.24 3iuk h HIS 95 Cb 0.61 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.47 3iuk h HIS 95 CO 0.05 0.17 -0.22 1.96 -1.30 0.00 0.00 177.93 178.59 3iuk h GLN 96 N 0.31 0.00 0.00 5.26 4.20 -1.13 -2.13 115.11 121.63 3iuk h GLN 96 Ca 0.09 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 3iuk h GLN 96 Cb -0.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 3iuk h GLN 96 CO -0.03 0.22 -0.15 0.66 -0.67 0.00 0.00 178.83 178.85 3iuk h SER 97 N 0.00 0.00 0.00 1.46 4.64 -0.64 -3.47 113.55 115.54 3iuk h SER 97 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iuk h SER 97 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3iuk h SER 97 CO 0.03 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 3iuk n GLY 98 N -0.55 1.24 0.17 -0.77 0.00 -0.80 -4.90 105.19 99.57 3iuk n GLY 98 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 3iuk n GLY 98 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3iuk h TRP 99 N 0.00 0.00 -0.94 1.61 4.06 -1.82 -3.18 115.95 115.68 3iuk h TRP 99 Ca 0.00 0.00 0.13 0.00 2.06 0.00 0.00 58.89 61.08 3iuk h TRP 99 Cb 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.07 3iuk h TRP 99 CO 0.00 0.21 0.56 0.38 -3.56 0.00 0.00 178.44 176.02 3iuk h ASP 100 N 0.00 0.78 0.30 -3.49 2.03 -1.87 -1.28 116.42 112.90 3iuk h ASP 100 Ca -0.01 0.06 -0.01 0.00 -0.73 0.00 0.00 57.03 56.34 3iuk h ASP 100 Cb 1.17 -0.08 -0.00 0.00 -0.83 0.00 0.00 39.33 39.58 3iuk h ASP 100 CO 0.02 0.39 -0.06 0.00 -1.03 0.00 0.00 179.24 178.57 3iuk h ALA 101 N 1.54 1.22 -0.03 4.15 0.00 -1.86 -2.25 119.26 122.03 3iuk h ALA 101 Ca 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3iuk h ALA 101 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3iuk h ALA 101 CO -0.30 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.02 3iuk n ALA 102 N -2.22 2.53 -1.67 0.00 0.00 -0.49 -3.06 120.51 115.61 3iuk n ALA 102 Ca -0.02 -0.55 -0.53 0.00 0.00 0.00 0.00 53.44 52.35 3iuk n ALA 102 Cb 0.18 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 3iuk n ALA 102 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3iuk n ASP 103 N 0.63 2.84 -3.49 0.00 2.03 -0.85 -4.37 116.55 113.34 3iuk n ASP 103 Ca 0.17 0.94 0.00 0.00 0.52 0.00 0.00 54.79 56.42 3iuk n ASP 103 Cb 0.45 -1.26 -0.04 0.00 -0.72 0.00 0.00 41.12 39.55 3iuk n ASP 103 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3iuk s LEU 104 N 4.33 -0.71 0.00 -2.67 0.20 -1.26 -4.62 118.68 113.95 3iuk s LEU 104 Ca 0.98 0.99 -0.04 0.00 0.69 0.00 0.00 54.13 56.74 3iuk s LEU 104 Cb -0.87 1.83 0.02 0.00 -0.43 0.00 0.00 46.19 46.73 3iuk s LEU 104 CO 0.57 -0.14 0.33 -0.46 -0.29 0.00 0.00 176.35 176.37 3iuk n ASN 105 N 4.94 -0.96 -0.23 3.68 0.23 -1.26 -4.91 115.26 116.75 3iuk n ASN 105 Ca -0.11 -1.95 0.15 0.00 -0.53 0.00 0.00 54.58 52.14 3iuk n ASN 105 Cb 0.52 1.68 0.72 0.00 -2.08 0.00 0.00 39.78 40.62 3iuk n ASN 105 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 3iuk n ASN 106 N -1.61 0.74 0.00 0.53 6.94 -1.26 -4.54 115.26 116.06 3iuk n ASN 106 Ca -0.02 -1.19 0.00 0.00 -0.02 0.00 0.00 54.58 53.35 3iuk n ASN 106 Cb 0.32 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 3iuk n ASN 106 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3iuk n ILE 107 N -0.46 0.00 -2.99 1.53 3.06 -1.26 -5.04 119.36 114.21 3iuk n ILE 107 Ca 0.21 0.00 -0.15 0.00 -2.50 0.00 0.00 62.75 60.31 3iuk n ILE 107 Cb 0.24 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.40 3iuk n ILE 107 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3iuk n ALA 108 N -1.15 0.27 -3.08 1.51 0.00 -1.26 -4.93 120.51 111.86 3iuk n ALA 108 Ca 0.00 -2.14 -0.09 0.00 0.00 0.00 0.00 53.44 51.20 3iuk n ALA 108 Cb 0.00 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 18.26 3iuk n ALA 108 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3iuk s SER 109 N -0.61 -0.07 0.45 0.00 1.04 -1.26 -4.83 113.70 108.41 3iuk s SER 109 Ca 0.32 -0.94 0.15 0.00 0.48 0.00 0.00 55.95 55.97 3iuk s SER 109 Cb 0.12 0.56 1.09 0.00 0.10 0.00 0.00 66.02 67.90 3iuk s SER 109 CO -0.16 -1.10 1.99 -0.65 0.98 0.00 0.00 173.24 174.31 3iuk h PRO 110 N 2.30 0.32 -0.68 4.02 0.11 -1.95 -0.77 132.00 135.35 3iuk h PRO 110 Ca -0.27 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 3iuk h PRO 110 Cb 1.25 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 3iuk h PRO 110 CO 0.38 0.21 0.24 0.00 -0.21 0.00 0.00 178.00 178.62 3iuk h ALA 111 N 1.72 1.15 -0.05 -0.75 0.00 -1.94 -0.62 119.26 118.76 3iuk h ALA 111 Ca 0.26 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 3iuk h ALA 111 Cb 0.58 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3iuk h ALA 111 CO -0.06 0.60 -0.74 1.96 0.00 0.00 0.00 179.25 181.01 3iuk h GLN 112 N 0.99 0.60 -0.66 0.00 7.50 -1.58 -3.30 115.11 118.65 3iuk h GLN 112 Ca 0.23 -0.57 -0.05 0.00 0.50 0.00 0.00 58.65 58.75 3iuk h GLN 112 Cb 0.23 0.15 -0.03 0.00 0.05 0.00 0.00 27.48 27.88 3iuk h GLN 112 CO -0.01 1.19 0.21 -0.44 -1.50 0.00 0.00 178.83 178.27 3iuk h ASP 113 N 0.22 0.95 -0.59 1.46 3.32 -0.79 -0.37 116.42 120.61 3iuk h ASP 113 Ca -0.08 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.75 3iuk h ASP 113 Cb 1.41 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 3iuk h ASP 113 CO 0.15 0.88 0.18 0.40 -1.72 0.00 0.00 179.24 179.13 3iuk h ILE 114 N 0.98 1.24 -0.04 0.35 2.04 -1.23 -2.82 117.51 118.03 3iuk h ILE 114 Ca 0.22 -0.84 -0.25 0.00 1.00 0.00 0.00 64.86 64.99 3iuk h ILE 114 Cb 0.28 0.56 0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3iuk h ILE 114 CO -0.01 0.32 -0.94 -0.09 0.00 0.00 0.00 178.15 177.43 3iuk h ARG 115 N 0.93 0.66 -0.28 2.37 2.43 -1.58 -3.38 114.38 115.54 3iuk h ARG 115 Ca 0.20 -0.66 -0.05 0.00 -0.81 0.00 0.00 59.98 58.67 3iuk h ARG 115 Cb 0.29 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 3iuk h ARG 115 CO -0.01 1.25 -0.06 0.00 -1.51 0.00 0.00 179.97 179.65 3iuk h ALA 116 N 0.53 1.39 -0.24 2.80 0.00 -0.81 -2.73 119.26 120.20 3iuk h ALA 116 Ca -0.10 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.67 3iuk h ALA 116 Cb 1.58 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 3iuk h ALA 116 CO 0.18 0.42 0.25 0.97 0.00 0.00 0.00 179.25 181.08 3iuk h ILE 117 N 0.42 0.49 0.00 0.00 6.09 -1.71 -1.10 117.51 121.70 3iuk h ILE 117 Ca 0.09 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.55 3iuk h ILE 117 Cb 0.37 0.80 -0.00 0.00 0.47 0.00 0.00 36.82 38.45 3iuk h ILE 117 CO 0.02 0.00 -0.13 -0.26 -3.07 0.00 0.00 178.15 174.70 3iuk h PHE 118 N 0.00 0.00 0.00 2.19 0.04 -1.74 -2.42 116.94 115.01 3iuk h PHE 118 Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.89 3iuk h PHE 118 Cb 0.62 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.77 3iuk h PHE 118 CO 0.00 0.13 0.00 -0.44 -0.60 0.00 0.00 178.31 177.40 3iuk h ASP 119 N 0.00 0.00 -0.66 2.17 3.32 -1.39 -3.46 116.42 116.40 3iuk h ASP 119 Ca -0.00 0.00 -0.72 0.00 0.02 0.00 0.00 57.03 56.33 3iuk h ASP 119 Cb 0.26 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.74 3iuk h ASP 119 CO 0.02 0.00 2.87 0.18 -1.72 0.00 0.00 179.24 180.58 3iuk n LEU 120 N -2.77 7.67 -4.33 1.55 4.77 -0.91 -5.17 117.00 117.82 3iuk n LEU 120 Ca 0.01 -4.54 -0.17 0.00 -0.03 0.00 0.00 56.01 51.29 3iuk n LEU 120 Cb 0.29 -1.50 -0.10 0.00 -2.33 0.00 0.00 43.42 39.77 3iuk n LEU 120 CO 0.25 1.71 -0.33 -2.16 -1.33 0.00 0.00 177.39 175.53 3iuk s PRO 122 N 1.01 1.33 -0.16 3.23 0.04 -1.26 -5.11 135.00 134.08 3iuk s PRO 122 Ca 0.53 -1.67 0.24 0.00 0.04 0.00 0.00 61.00 60.14 3iuk s PRO 122 Cb 0.15 -0.59 0.48 0.00 0.04 0.00 0.00 34.50 34.58 3iuk s PRO 122 CO -0.06 -0.10 1.13 0.25 0.04 0.00 0.00 177.00 178.26 3iuk n THR 123 N -0.41 0.79 0.35 1.26 -2.24 -1.26 -4.64 114.28 108.13 3iuk n THR 123 Ca -0.05 -2.19 0.10 0.00 -2.27 0.00 0.00 64.05 59.64 3iuk n THR 123 Cb 0.64 1.17 -0.15 0.00 -2.10 0.00 0.00 70.33 69.90 3iuk n THR 123 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3iuk n ASP 124 N -0.18 0.45 -4.21 3.42 8.00 -1.26 -4.71 116.55 118.05 3iuk n ASP 124 Ca 0.07 -0.36 -0.12 0.00 0.71 0.00 0.00 54.79 55.08 3iuk n ASP 124 Cb 0.94 1.61 -0.10 0.00 -0.02 0.00 0.00 41.12 43.55 3iuk n ASP 124 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3iuk s THR 125 N -3.28 0.26 0.16 -3.53 -4.23 -1.26 -4.87 115.64 98.89 3iuk s THR 125 Ca -0.02 -1.97 -0.16 0.00 -1.18 0.00 0.00 61.69 58.37 3iuk s THR 125 Cb 0.14 -2.32 0.03 0.00 1.34 0.00 0.00 72.50 71.70 3iuk s THR 125 CO 0.87 -0.23 1.76 0.58 -0.54 0.00 0.00 174.62 177.05 3iuk h VAL 126 N 2.66 0.90 -0.99 2.29 2.07 -1.99 -2.18 116.25 119.01 3iuk h VAL 126 Ca -0.36 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.11 3iuk h VAL 126 Cb 1.23 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 3iuk h VAL 126 CO 0.58 0.06 0.64 -0.08 0.02 0.00 0.00 177.57 178.79 3iuk h GLU 127 N 0.31 1.16 -0.60 1.57 4.81 -1.98 0.12 114.58 119.96 3iuk h GLU 127 Ca 0.17 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.43 3iuk h GLU 127 Cb 0.14 -0.26 -0.07 0.00 0.63 0.00 0.00 28.75 29.19 3iuk h GLU 127 CO -0.17 0.77 0.22 0.45 -0.73 0.00 0.00 179.01 179.55 3iuk h HIS 128 N 1.20 0.38 -0.01 0.92 3.86 -1.73 -0.04 115.15 119.72 3iuk h HIS 128 Ca 0.41 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.53 3iuk h HIS 128 Cb 0.10 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 3iuk h HIS 128 CO -0.00 0.09 -0.58 -1.49 0.86 0.00 0.00 177.93 176.80 3iuk h TRP 129 N 0.40 0.06 -0.68 2.45 4.06 -0.60 -1.32 115.95 120.31 3iuk h TRP 129 Ca 0.30 -0.02 -0.05 0.00 2.06 0.00 0.00 58.89 61.19 3iuk h TRP 129 Cb 0.38 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.50 3iuk h TRP 129 CO -0.17 0.62 0.24 0.93 -3.56 0.00 0.00 178.44 176.50 3iuk h GLU 130 N 0.04 1.04 -0.21 0.49 5.08 -0.39 -0.08 114.58 120.54 3iuk h GLU 130 Ca -0.01 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3iuk h GLU 130 Cb 1.04 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 3iuk h GLU 130 CO 0.08 0.88 0.11 0.45 -1.00 0.00 0.00 179.01 179.53 3iuk h HIS 131 N 0.98 0.21 -0.56 4.33 3.86 -0.68 0.22 115.15 123.51 3iuk h HIS 131 Ca 0.22 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 3iuk h HIS 131 Cb 0.25 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 3iuk h HIS 131 CO 0.02 0.12 0.34 0.82 0.86 0.00 0.00 177.93 180.09 3iuk h ILE 132 N 0.24 1.16 -0.51 2.45 2.04 -1.02 0.10 117.51 121.97 3iuk h ILE 132 Ca 0.08 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 3iuk h ILE 132 Cb 0.01 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3iuk h ILE 132 CO -0.05 0.17 0.12 0.00 0.00 0.00 0.00 178.15 178.39 3iuk h ALA 133 N 1.17 0.67 -0.55 1.87 0.00 -0.85 -0.36 119.26 121.21 3iuk h ALA 133 Ca 0.20 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3iuk h ALA 133 Cb -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3iuk h ALA 133 CO -0.04 0.37 -0.02 0.78 0.00 0.00 0.00 179.25 180.34 3iuk h GLY 134 N 0.71 1.04 0.93 0.00 0.00 -0.28 -0.90 103.07 104.58 3iuk h GLY 134 Ca 0.16 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 3iuk h GLY 134 CO 0.00 0.69 0.15 -0.09 0.00 0.00 0.00 176.54 177.29 3iuk h ARG 135 N 0.88 0.47 -0.60 4.80 2.43 -0.58 -2.38 114.38 119.40 3iuk h ARG 135 Ca 0.16 -0.08 0.09 0.00 -0.81 0.00 0.00 59.98 59.34 3iuk h ARG 135 Cb 0.55 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.95 3iuk h ARG 135 CO 0.03 0.45 0.24 0.00 -1.51 0.00 0.00 179.97 179.18 3iuk h ALA 136 N 1.00 0.78 0.00 2.80 0.00 -0.85 0.32 119.26 123.31 3iuk h ALA 136 Ca 0.11 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3iuk h ALA 136 Cb 0.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3iuk h ALA 136 CO -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.07 3iuk h ALA 137 N 1.40 1.00 -0.01 0.00 0.00 -1.00 -1.71 119.26 118.94 3iuk h ALA 137 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3iuk h ALA 137 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3iuk h ALA 137 CO -0.28 0.00 -0.53 0.09 0.00 0.00 0.00 179.25 178.53 3iuk n ASN 138 N -2.59 1.44 -0.36 0.00 5.03 0.11 -4.30 115.26 114.58 3iuk n ASN 138 Ca -0.01 -1.15 0.06 0.00 0.87 0.00 0.00 54.58 54.36 3iuk n ASN 138 Cb 0.14 0.47 0.23 0.00 -1.02 0.00 0.00 39.78 39.60 3iuk n ASN 138 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3iuk h VAL 139 N 1.44 0.96 -0.71 2.41 2.07 -0.47 -2.64 116.25 119.30 3iuk h VAL 139 Ca 0.00 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.18 3iuk h VAL 139 Cb 0.62 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 3iuk h VAL 139 CO 0.00 0.19 0.46 -0.65 0.02 0.00 0.00 177.57 177.59 3iuk h PRO 140 N 1.04 0.90 0.00 1.57 0.11 -1.76 -0.81 132.00 133.05 3iuk h PRO 140 Ca 0.49 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.45 3iuk h PRO 140 Cb 0.42 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3iuk h PRO 140 CO -0.25 0.59 -0.43 0.78 -0.21 0.00 0.00 178.00 178.49 3iuk h GLY 141 N 0.93 0.00 0.66 -0.55 0.00 -1.76 0.84 103.07 103.18 3iuk h GLY 141 Ca 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 3iuk h GLY 141 CO -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.45 3iuk h ALA 142 N 1.57 0.05 -0.75 3.60 0.00 -1.12 -2.38 119.26 120.23 3iuk h ALA 142 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3iuk h ALA 142 Cb 0.78 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 3iuk h ALA 142 CO 0.06 -0.24 0.39 0.82 0.00 0.00 0.00 179.25 180.27 3iuk h ILE 143 N -0.29 1.24 -0.76 0.00 1.08 -1.03 -1.48 117.51 116.26 3iuk h ILE 143 Ca 0.01 -0.63 0.02 0.00 -0.39 0.00 0.00 64.86 63.87 3iuk h ILE 143 Cb 0.40 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 34.37 3iuk h ILE 143 CO 0.00 0.27 0.49 -0.08 -0.69 0.00 0.00 178.15 178.15 3iuk h GLU 144 N 1.05 0.95 -0.42 2.37 4.81 -0.77 -0.46 114.58 122.11 3iuk h GLU 144 Ca 0.26 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 3iuk h GLU 144 Cb 0.08 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3iuk h GLU 144 CO -0.04 0.63 -0.21 0.78 -0.73 0.00 0.00 179.01 179.44 3iuk h GLY 145 N 0.98 0.90 0.92 1.92 0.00 -1.08 -1.10 103.07 105.60 3iuk h GLY 145 Ca 0.29 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 3iuk h GLY 145 CO -0.09 0.70 0.11 -1.82 0.00 0.00 0.00 176.54 175.44 3iuk h TYR 146 N 0.72 0.34 -0.93 5.60 3.20 -0.86 -1.26 116.97 123.78 3iuk h TYR 146 Ca 0.10 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3iuk h TYR 146 Cb 0.73 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 3iuk h TYR 146 CO 0.04 0.34 0.54 0.82 -1.64 0.00 0.00 178.16 178.27 3iuk h ILE 147 N 0.24 1.26 -0.86 1.81 2.04 -0.99 -0.14 117.51 120.87 3iuk h ILE 147 Ca 0.08 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.35 3iuk h ILE 147 Cb 0.13 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.14 3iuk h ILE 147 CO -0.01 0.28 0.56 0.00 0.00 0.00 0.00 178.15 178.99 3iuk h ALA 148 N 1.30 1.09 -0.30 1.87 0.00 -0.80 0.45 119.26 122.87 3iuk h ALA 148 Ca 0.33 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 3iuk h ALA 148 Cb -0.02 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 3iuk h ALA 148 CO -0.06 0.50 -0.32 0.77 0.00 0.00 0.00 179.25 180.14 3iuk h SER 149 N 1.16 0.79 -0.81 0.00 0.02 -0.52 -1.35 113.55 112.85 3iuk h SER 149 Ca 0.31 -0.48 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 3iuk h SER 149 Cb -0.13 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.15 3iuk h SER 149 CO -0.07 1.11 0.44 -0.07 -1.14 0.00 0.00 176.83 177.10 3iuk h LEU 150 N 0.49 1.02 -0.43 5.07 3.38 -0.66 -1.58 115.31 122.59 3iuk h LEU 150 Ca 0.05 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 3iuk h LEU 150 Cb 0.89 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3iuk h LEU 150 CO 0.08 0.82 -0.29 -0.09 0.09 0.00 0.00 178.44 179.05 3iuk h ARG 151 N 1.14 0.97 -0.55 1.13 2.43 -0.03 -0.92 114.38 118.56 3iuk h ARG 151 Ca 0.29 -0.46 -0.07 0.00 -0.81 0.00 0.00 59.98 58.93 3iuk h ARG 151 Cb 0.04 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3iuk h ARG 151 CO -0.05 1.13 0.06 0.00 -1.51 0.00 0.00 179.97 179.60 3iuk h ALA 152 N 0.82 1.07 -0.46 2.80 0.00 -0.98 -1.15 119.26 121.35 3iuk h ALA 152 Ca 0.09 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3iuk h ALA 152 Cb 0.88 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3iuk h ALA 152 CO 0.08 0.59 -0.07 0.00 0.00 0.00 0.00 179.25 179.86 3iuk h ALA 153 N 1.22 0.63 -0.58 0.00 0.00 -1.18 -1.56 119.26 117.79 3iuk h ALA 153 Ca 0.17 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.80 3iuk h ALA 153 Cb 0.42 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3iuk h ALA 153 CO 0.01 0.49 0.33 -0.22 0.00 0.00 0.00 179.25 179.87 3iuk h LYS 154 N 0.71 0.63 0.00 0.00 3.64 -0.87 0.98 116.57 121.65 3iuk h LYS 154 Ca 0.12 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3iuk h LYS 154 Cb 0.60 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3iuk h LYS 154 CO 0.04 0.42 0.00 -0.44 -2.27 0.00 0.00 179.45 177.19 3iuk h ASP 155 N 0.65 0.00 -0.58 4.20 3.32 -0.98 -0.68 116.42 122.34 3iuk h ASP 155 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3iuk h ASP 155 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3iuk h ASP 155 CO -0.13 0.00 0.00 -0.67 -1.72 0.00 0.00 179.24 176.72 3iuk n ASP 156 N -3.07 4.78 -2.37 6.45 2.03 0.03 -4.94 116.55 119.46 3iuk n ASP 156 Ca -0.01 -2.57 -0.18 0.00 0.52 0.00 0.00 54.79 52.56 3iuk n ASP 156 Cb 0.23 -0.60 0.02 0.00 -0.72 0.00 0.00 41.12 40.05 3iuk n ASP 156 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3iuk n ARG 157 N 0.88 -3.49 -3.89 -0.67 1.74 -0.26 -4.99 116.66 105.97 3iuk n ARG 157 Ca 0.25 0.75 -0.30 0.00 -0.77 0.00 0.00 57.85 57.78 3iuk n ARG 157 Cb 0.94 -5.24 -0.15 0.00 -1.02 0.00 0.00 32.46 26.99 3iuk n ARG 157 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3iuk s LYS 158 N -5.36 1.32 -0.01 5.56 1.02 0.12 -4.99 119.74 117.41 3iuk s LYS 158 Ca 0.20 -1.11 0.01 0.00 0.02 0.00 0.00 55.97 55.09 3iuk s LYS 158 Cb -0.09 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 3iuk s LYS 158 CO 0.25 -0.75 -0.03 0.08 -0.92 0.00 0.00 175.35 173.98 3iuk s VAL 159 N 1.40 0.27 0.79 3.17 1.01 -1.26 -3.23 120.40 122.54 3iuk s VAL 159 Ca 0.01 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 3iuk s VAL 159 Cb -0.18 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 35.95 3iuk s VAL 159 CO -0.11 0.10 0.71 0.00 0.00 0.00 0.00 175.10 175.80 3iuk n ALA 160 N 3.27 -1.25 -1.67 5.51 0.00 -1.26 -4.49 120.51 120.62 3iuk n ALA 160 Ca -0.16 -0.33 -0.40 0.00 0.00 0.00 0.00 53.44 52.54 3iuk n ALA 160 Cb 0.57 -1.96 0.02 0.00 0.00 0.00 0.00 19.45 18.07 3iuk n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iuk n ALA 161 N -2.85 0.87 -0.30 0.00 0.00 -1.26 -4.13 120.51 112.84 3iuk n ALA 161 Ca 0.10 0.21 0.13 0.00 0.00 0.00 0.00 53.44 53.89 3iuk n ALA 161 Cb 0.51 -2.20 0.30 0.00 0.00 0.00 0.00 19.45 18.05 3iuk n ALA 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iuk h ALA 162 N 1.68 1.33 -0.73 0.00 0.00 -1.31 -1.72 119.26 118.52 3iuk h ALA 162 Ca -0.47 0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.77 3iuk h ALA 162 Cb 1.32 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 19.28 3iuk h ALA 162 CO 0.58 -0.44 0.30 -0.09 0.00 0.00 0.00 179.25 179.61 3iuk h ARG 163 N 0.26 0.46 -0.04 0.00 2.43 -1.87 -0.80 114.38 114.82 3iuk h ARG 163 Ca 0.56 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 59.48 3iuk h ARG 163 Cb 1.11 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3iuk h ARG 163 CO -0.61 0.31 -0.87 1.96 -1.51 0.00 0.00 179.97 179.24 3iuk h GLN 164 N 0.47 0.50 -0.41 0.20 1.08 -1.68 -2.01 115.11 113.27 3iuk h GLN 164 Ca 0.39 -0.48 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 3iuk h GLN 164 Cb 0.54 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.07 3iuk h GLN 164 CO -0.36 1.12 0.17 0.82 -0.95 0.00 0.00 178.83 179.62 3iuk h ILE 165 N 0.31 1.20 -0.72 2.54 2.04 -1.14 -1.75 117.51 119.98 3iuk h ILE 165 Ca -0.07 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 3iuk h ILE 165 Cb 1.49 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 3iuk h ILE 165 CO 0.16 0.22 0.43 0.03 0.00 0.00 0.00 178.15 178.99 3iuk h ARG 166 N 0.53 0.98 -0.36 2.37 3.08 -1.03 -0.22 114.38 119.72 3iuk h ARG 166 Ca 0.14 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3iuk h ARG 166 Cb 0.19 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3iuk h ARG 166 CO -0.01 0.70 0.14 0.82 -1.07 0.00 0.00 179.97 180.55 3iuk h ILE 167 N 0.98 1.19 -0.27 2.04 1.08 -1.25 -1.50 117.51 119.77 3iuk h ILE 167 Ca 0.26 -0.58 -0.11 0.00 -0.39 0.00 0.00 64.86 64.04 3iuk h ILE 167 Cb -0.03 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 3iuk h ILE 167 CO -0.05 0.21 -0.28 0.58 -0.69 0.00 0.00 178.15 177.92 3iuk h VAL 168 N 0.43 1.28 -0.51 1.67 2.07 -0.95 0.10 116.25 120.34 3iuk h VAL 168 Ca 0.12 -1.36 0.04 0.00 0.82 0.00 0.00 66.70 66.32 3iuk h VAL 168 Cb 0.19 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3iuk h VAL 168 CO -0.01 0.43 0.27 0.40 0.02 0.00 0.00 177.57 178.68 3iuk h ILE 169 N 0.48 0.98 -0.15 4.57 2.04 -0.90 0.10 117.51 124.63 3iuk h ILE 169 Ca 0.06 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 3iuk h ILE 169 Cb 0.74 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3iuk h ILE 169 CO 0.06 0.10 0.08 -0.08 0.00 0.00 0.00 178.15 178.31 3iuk h GLU 170 N 0.52 0.21 -0.29 2.37 4.22 -0.58 -1.69 114.58 119.35 3iuk h GLU 170 Ca 0.22 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.60 3iuk h GLU 170 Cb 0.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3iuk h GLU 170 CO -0.14 0.21 0.06 1.96 -2.18 0.00 0.00 179.01 178.92 3iuk h GLN 171 N 0.15 0.47 0.00 1.92 4.20 -0.73 -2.74 115.11 118.39 3iuk h GLN 171 Ca 0.05 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 3iuk h GLN 171 Cb 0.06 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3iuk h GLN 171 CO -0.01 0.57 -0.35 1.79 -0.67 0.00 0.00 178.83 180.16 3iuk h THR 172 N 0.30 0.95 -0.16 -0.54 1.35 -0.96 -2.56 112.91 111.30 3iuk h THR 172 Ca 0.09 -1.34 -0.12 0.00 -0.55 0.00 0.00 66.41 64.49 3iuk h THR 172 Cb 0.32 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.52 3iuk h THR 172 CO 0.00 0.34 -0.42 1.23 -0.25 0.00 0.00 175.52 176.42 3iuk h GLY 173 N 1.63 0.42 0.86 5.82 0.00 -1.05 -1.77 103.07 108.99 3iuk h GLY 173 Ca -0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 3iuk h GLY 173 CO 0.05 0.38 -0.03 3.21 0.00 0.00 0.00 176.54 180.15 3iuk h ARG 174 N 0.32 0.50 -0.95 4.80 2.47 -1.20 -1.93 114.38 118.39 3iuk h ARG 174 Ca 0.03 -0.17 0.14 0.00 -1.26 0.00 0.00 59.98 58.71 3iuk h ARG 174 Cb 0.88 -0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 29.07 3iuk h ARG 174 CO 0.07 0.68 0.56 1.88 0.56 0.00 0.00 179.97 183.73 3iuk h TYR 175 N 0.27 1.01 -0.00 3.04 0.05 -1.04 -2.10 116.97 118.19 3iuk h TYR 175 Ca 0.07 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.89 3iuk h TYR 175 Cb 0.47 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.90 3iuk h TYR 175 CO 0.04 0.33 -0.27 0.00 -1.05 0.00 0.00 178.16 177.21 3iuk n ALA 176 N -2.36 3.05 -1.26 3.88 0.00 -0.71 -3.06 120.51 120.05 3iuk n ALA 176 Ca 0.19 -0.29 -0.29 0.00 0.00 0.00 0.00 53.44 53.05 3iuk n ALA 176 Cb 0.42 -1.24 0.16 0.00 0.00 0.00 0.00 19.45 18.78 3iuk n ALA 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iuk s ALA 177 N -2.79 1.30 0.40 0.00 0.00 -0.74 -4.85 121.76 115.08 3iuk s ALA 177 Ca 0.18 -0.31 0.12 0.00 0.00 0.00 0.00 51.96 51.95 3iuk s ALA 177 Cb 0.19 -3.12 0.93 0.00 0.00 0.00 0.00 23.12 21.11 3iuk s ALA 177 CO 0.58 -2.57 1.92 1.05 0.00 0.00 0.00 175.76 176.75 3iuk h GLU 178 N -1.70 0.53 -0.12 0.00 4.11 -1.90 -1.12 114.58 114.39 3iuk h GLU 178 Ca -0.52 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 58.87 3iuk h GLU 178 Cb 1.32 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 3iuk h GLU 178 CO 0.58 0.35 -0.01 -0.40 0.07 0.00 0.00 179.01 179.60 3iuk n ASP 179 N -4.50 3.01 -1.84 3.06 5.75 -1.26 -4.75 116.55 116.02 3iuk n ASP 179 Ca 0.14 -3.08 0.00 0.00 -0.01 0.00 0.00 54.79 51.83 3iuk n ASP 179 Cb 0.43 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 3iuk n ASP 179 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iuk n GLY 180 N -1.03 0.46 0.24 6.12 0.00 -0.42 -4.72 105.19 105.84 3iuk n GLY 180 Ca 0.19 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 3iuk n GLY 180 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3iuk h PHE 181 N -0.34 -0.55 -0.26 1.61 3.57 -1.65 0.38 116.94 119.70 3iuk h PHE 181 Ca 0.00 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.35 3iuk h PHE 181 Cb 0.00 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 3iuk h PHE 181 CO 0.00 -0.29 -0.51 0.74 -2.23 0.00 0.00 178.31 176.02 3iuk h PHE 182 N -0.32 0.92 -0.65 0.41 -1.00 -1.88 -3.04 116.94 111.38 3iuk h PHE 182 Ca 0.06 -0.31 -0.02 0.00 2.81 0.00 0.00 57.97 60.52 3iuk h PHE 182 Cb 0.41 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.76 3iuk h PHE 182 CO -0.26 1.09 0.34 0.00 -1.61 0.00 0.00 178.31 177.88 3iuk h ALA 183 N 0.84 0.83 0.00 2.45 0.00 -1.74 -2.91 119.26 118.73 3iuk h ALA 183 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3iuk h ALA 183 Cb 1.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3iuk h ALA 183 CO 0.11 0.36 0.00 1.63 0.00 0.00 0.00 179.25 181.34 3iuk n LYS 184 N -4.52 0.53 0.00 0.00 5.02 0.10 -1.38 118.16 117.92 3iuk n LYS 184 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3iuk n LYS 184 Cb 0.10 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 3iuk n LYS 184 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iuk n ALA 186 N 1.65 0.00 0.03 7.82 0.00 -1.10 -0.69 120.51 128.22 3iuk n ALA 186 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3iuk n ALA 186 Cb 0.27 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.86 3iuk n ALA 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iuk h ALA 187 N 0.00 0.94 -0.02 0.00 0.00 -1.50 -3.29 119.26 115.38 3iuk h ALA 187 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3iuk h ALA 187 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3iuk h ALA 187 CO 0.00 0.63 -0.05 -0.25 0.00 0.00 0.00 179.25 179.58 3iuk n ASP 188 N -4.02 2.55 -4.69 0.00 10.43 0.13 -5.00 116.55 115.95 3iuk n ASP 188 Ca -0.02 -1.78 -0.44 0.00 2.57 0.00 0.00 54.79 55.13 3iuk n ASP 188 Cb 0.51 0.06 -0.03 0.00 1.84 0.00 0.00 41.12 43.49 3iuk n ASP 188 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3iuk n ALA 189 N 0.98 1.63 -2.35 2.24 0.00 -1.24 -4.99 120.51 116.77 3iuk n ALA 189 Ca 0.11 0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.87 3iuk n ALA 189 Cb 0.48 -2.35 -0.09 0.00 0.00 0.00 0.00 19.45 17.50 3iuk n ALA 189 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3iuk s SER 190 N 0.51 0.26 -0.10 0.00 1.04 -1.26 -4.25 113.70 109.90 3iuk s SER 190 Ca 0.69 -0.93 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 3iuk s SER 190 Cb -0.61 0.31 0.04 0.00 0.10 0.00 0.00 66.02 65.85 3iuk s SER 190 CO 0.46 -0.72 0.01 -0.22 0.98 0.00 0.00 173.24 173.75 3iuk s LEU 191 N -2.94 0.70 -1.40 2.42 2.96 -0.33 -4.80 118.68 115.29 3iuk s LEU 191 Ca 0.13 -0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 53.68 3iuk s LEU 191 Cb 0.06 -0.46 0.02 0.00 0.50 0.00 0.00 46.19 46.31 3iuk s LEU 191 CO -0.05 -0.22 1.12 0.61 -1.32 0.00 0.00 176.35 176.48 3iuk n GLY 192 N 5.13 -0.54 2.45 7.98 0.00 -1.26 -2.43 105.19 116.52 3iuk n GLY 192 Ca -0.07 0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 3iuk n GLY 192 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iuk n ASP 193 N -2.96 -5.55 -4.11 1.61 10.43 -1.26 -4.97 116.55 109.74 3iuk n ASP 193 Ca 0.01 0.18 -0.10 0.00 2.57 0.00 0.00 54.79 57.45 3iuk n ASP 193 Cb 0.56 -4.73 -0.10 0.00 1.84 0.00 0.00 41.12 38.68 3iuk n ASP 193 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3iuk s ALA 194 N -2.89 0.71 0.70 2.24 0.00 -1.02 -5.11 121.76 116.40 3iuk s ALA 194 Ca 0.00 -1.16 -0.16 0.00 0.00 0.00 0.00 51.96 50.64 3iuk s ALA 194 Cb 0.00 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.31 3iuk s ALA 194 CO 0.00 -0.23 1.22 -2.14 0.00 0.00 0.00 175.76 174.61 3iuk s PRO 195 N -3.31 2.30 0.69 0.00 0.02 -1.26 -1.18 135.00 132.24 3iuk s PRO 195 Ca 0.05 1.82 -0.16 0.00 0.02 0.00 0.00 61.00 62.74 3iuk s PRO 195 Cb 0.02 -1.84 0.01 0.00 0.02 0.00 0.00 34.50 32.71 3iuk s PRO 195 CO -0.05 -1.73 1.18 -0.51 -0.33 0.00 0.00 177.00 175.55 3iuk s LEU 196 N -4.90 3.40 0.64 -5.54 1.43 -1.26 -4.64 118.68 107.81 3iuk s LEU 196 Ca 0.76 2.25 -0.18 0.00 -1.03 0.00 0.00 54.13 55.94 3iuk s LEU 196 Cb -0.31 -4.58 -0.02 0.00 0.03 0.00 0.00 46.19 41.31 3iuk s LEU 196 CO 0.43 -1.96 1.15 -2.65 0.23 0.00 0.00 176.35 173.55 3iuk n PRO 197 N -2.44 0.96 -0.25 1.29 -0.02 -1.26 -4.75 135.00 128.54 3iuk n PRO 197 Ca 0.12 0.38 0.03 0.00 -2.02 0.00 0.00 63.50 62.01 3iuk n PRO 197 Cb 0.51 -2.38 0.26 0.00 -0.02 0.00 0.00 33.50 31.87 3iuk n PRO 197 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iuk h ALA 198 N 0.40 1.52 -0.46 3.55 0.00 -1.99 -1.52 119.26 120.76 3iuk h ALA 198 Ca -0.50 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 3iuk h ALA 198 Cb 1.35 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3iuk h ALA 198 CO 0.51 0.39 0.10 1.49 0.00 0.00 0.00 179.25 181.74 3iuk h GLU 199 N 0.98 0.75 -0.11 0.00 4.81 -2.00 -0.72 114.58 118.29 3iuk h GLU 199 Ca 0.33 -0.19 -0.23 0.00 -0.13 0.00 0.00 59.36 59.14 3iuk h GLU 199 Cb 0.07 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.37 3iuk h GLU 199 CO -0.10 0.75 -0.83 -0.24 -0.73 0.00 0.00 179.01 177.85 3iuk h VAL 200 N 0.62 1.29 -0.81 0.32 3.04 -1.88 -2.58 116.25 116.26 3iuk h VAL 200 Ca 0.14 -2.05 0.15 0.00 -1.01 0.00 0.00 66.70 63.93 3iuk h VAL 200 Cb 0.34 2.08 -0.10 0.00 -2.01 0.00 0.00 31.29 31.60 3iuk h VAL 200 CO 0.00 0.64 0.36 -0.61 -1.01 0.00 0.00 177.57 176.96 3iuk h GLN 201 N 0.48 0.49 -0.48 4.17 5.75 -1.18 0.10 115.11 124.45 3iuk h GLN 201 Ca -0.07 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.30 3iuk h GLN 201 Cb 1.46 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.88 3iuk h GLN 201 CO 0.17 0.32 -0.11 -0.44 -2.65 0.00 0.00 178.83 176.12 3iuk h ASP 202 N 0.51 0.88 -0.71 -0.69 3.32 -1.00 0.76 116.42 119.48 3iuk h ASP 202 Ca 0.45 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3iuk h ASP 202 Cb 0.69 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 3iuk h ASP 202 CO -0.40 1.00 0.42 0.11 -1.72 0.00 0.00 179.24 178.65 3iuk h LYS 203 N 0.79 0.98 -0.21 3.56 1.57 -0.76 -1.65 116.57 120.85 3iuk h LYS 203 Ca 0.13 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3iuk h LYS 203 Cb 0.63 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3iuk h LYS 203 CO 0.04 0.70 0.09 1.25 -0.57 0.00 0.00 179.45 180.96 3iuk h LEU 204 N 0.98 0.28 -0.57 2.94 5.85 -0.37 -0.56 115.31 123.86 3iuk h LEU 204 Ca 0.26 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.87 3iuk h LEU 204 Cb -0.02 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3iuk h LEU 204 CO -0.05 0.36 0.31 0.44 -0.34 0.00 0.00 178.44 179.16 3iuk h ASP 205 N 0.19 0.47 -0.44 1.25 3.32 -0.81 0.23 116.42 120.63 3iuk h ASP 205 Ca 0.07 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 3iuk h ASP 205 Cb 0.16 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3iuk h ASP 205 CO -0.01 0.32 0.07 0.00 -1.72 0.00 0.00 179.24 177.90 3iuk h ALA 206 N 1.29 0.59 -0.19 3.45 0.00 -1.14 -1.01 119.26 122.25 3iuk h ALA 206 Ca 0.25 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3iuk h ALA 206 Cb 0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3iuk h ALA 206 CO -0.15 0.31 -0.14 0.78 0.00 0.00 0.00 179.25 180.05 3iuk h GLY 207 N 0.59 0.47 1.82 0.00 0.00 -0.79 -1.81 103.07 103.36 3iuk h GLY 207 Ca 0.13 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 3iuk h GLY 207 CO 0.01 0.41 -0.25 -0.91 0.00 0.00 0.00 176.54 175.80 3iuk h THR 208 N 0.10 1.23 -0.49 4.70 1.35 -0.54 -0.69 112.91 118.58 3iuk h THR 208 Ca 0.04 -1.09 -0.08 0.00 -0.55 0.00 0.00 66.41 64.72 3iuk h THR 208 Cb 0.66 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.49 3iuk h THR 208 CO 0.04 0.33 -0.01 0.28 -0.25 0.00 0.00 175.52 175.91 3iuk h SER 209 N 0.20 0.85 -0.46 5.36 0.02 -1.04 -0.64 113.55 117.83 3iuk h SER 209 Ca 0.03 -0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 60.63 3iuk h SER 209 Cb 0.56 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 3iuk h SER 209 CO 0.04 0.96 0.15 0.00 -1.14 0.00 0.00 176.83 176.83 3iuk h ALA 210 N 0.92 0.60 -0.59 3.77 0.00 -0.93 -1.68 119.26 121.35 3iuk h ALA 210 Ca 0.14 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3iuk h ALA 210 Cb 0.53 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3iuk h ALA 210 CO 0.03 0.25 0.35 0.00 0.00 0.00 0.00 179.25 179.88 3iuk h ALA 211 N 1.00 0.76 0.00 0.00 0.00 -0.81 0.12 119.26 120.34 3iuk h ALA 211 Ca 0.15 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3iuk h ALA 211 Cb 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3iuk h ALA 211 CO -0.01 0.08 -0.10 0.00 0.00 0.00 0.00 179.25 179.22 3iuk h ARG 212 N 0.69 -0.17 -0.89 0.00 3.08 -0.93 -1.74 114.38 114.42 3iuk h ARG 212 Ca 0.24 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.34 3iuk h ARG 212 Cb 0.03 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.07 3iuk h ARG 212 CO -0.11 -0.12 0.57 0.77 -1.07 0.00 0.00 179.97 180.02 3iuk h SER 213 N -0.18 0.93 -0.50 7.04 0.02 -0.87 -0.25 113.55 119.75 3iuk h SER 213 Ca 0.04 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 3iuk h SER 213 Cb 0.23 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3iuk h SER 213 CO -0.10 0.63 0.06 0.00 -1.14 0.00 0.00 176.83 176.27 3iuk h ALA 214 N 1.38 0.66 -0.23 3.77 0.00 -0.69 -0.44 119.26 123.72 3iuk h ALA 214 Ca 0.37 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3iuk h ALA 214 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3iuk h ALA 214 CO -0.14 0.42 -0.25 1.88 0.00 0.00 0.00 179.25 181.17 3iuk h TYR 215 N 0.71 0.47 -0.78 0.00 -1.99 -0.94 -0.88 116.97 113.57 3iuk h TYR 215 Ca 0.15 -0.09 -0.05 0.00 2.00 0.00 0.00 58.73 60.74 3iuk h TYR 215 Cb 0.43 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 39.01 3iuk h TYR 215 CO 0.03 0.64 0.30 0.77 -0.00 0.00 0.00 178.16 179.90 3iuk h SER 216 N 0.38 1.08 -0.76 3.88 0.02 -0.83 -1.32 113.55 116.00 3iuk h SER 216 Ca 0.06 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.77 3iuk h SER 216 Cb 0.64 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 3iuk h SER 216 CO 0.05 0.97 0.26 0.00 -1.14 0.00 0.00 176.83 176.96 3iuk h ALA 217 N 1.16 1.00 -0.22 3.77 0.00 -0.66 -0.51 119.26 123.80 3iuk h ALA 217 Ca 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3iuk h ALA 217 Cb 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3iuk h ALA 217 CO -0.02 0.67 0.10 1.25 0.00 0.00 0.00 179.25 181.25 3iuk h LEU 218 N 1.13 0.29 -0.74 0.00 5.85 -0.93 0.22 115.31 121.13 3iuk h LEU 218 Ca 0.25 -0.14 0.16 0.00 0.84 0.00 0.00 57.88 58.99 3iuk h LEU 218 Cb 0.29 -0.08 -0.14 0.00 0.37 0.00 0.00 40.66 41.11 3iuk h LEU 218 CO -0.01 0.35 -0.12 1.23 -0.34 0.00 0.00 178.44 179.55 3iuk h GLY 219 N 0.22 0.64 0.98 3.75 0.00 -0.97 0.21 103.07 107.91 3iuk h GLY 219 Ca 0.07 0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.54 3iuk h GLY 219 CO -0.01 -0.29 0.05 0.00 0.00 0.00 0.00 176.54 176.30 3iuk h ALA 220 N 1.73 0.63 -0.23 3.60 0.00 -0.59 -0.62 119.26 123.77 3iuk h ALA 220 Ca 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3iuk h ALA 220 Cb 0.61 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3iuk h ALA 220 CO -0.73 0.38 0.07 0.35 0.00 0.00 0.00 179.25 179.32 3iuk h PHE 221 N 0.66 0.38 -0.07 0.00 3.57 -0.37 0.24 116.94 121.35 3iuk h PHE 221 Ca 0.14 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3iuk h PHE 221 Cb 0.42 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3iuk h PHE 221 CO 0.03 0.45 0.03 -0.07 -2.23 0.00 0.00 178.31 176.53 3iuk h LEU 222 N 0.20 0.05 -0.06 0.59 3.38 -0.46 0.19 115.31 119.20 3iuk h LEU 222 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3iuk h LEU 222 Cb 0.26 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3iuk h LEU 222 CO -0.00 0.04 0.03 -0.09 0.09 0.00 0.00 178.44 178.51 3iuk h ARG 223 N 0.08 0.06 0.06 1.13 2.43 -0.95 0.20 114.38 117.40 3iuk h ARG 223 Ca 0.03 -0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.89 3iuk h ARG 223 Cb 0.00 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3iuk h ARG 223 CO -0.02 0.04 -1.70 -0.44 -1.51 0.00 0.00 179.97 176.35 3iuk h ASP 224 N 0.07 0.21 0.00 -3.80 3.32 -0.41 -3.38 116.42 112.42 3iuk h ASP 224 Ca 0.03 -0.39 -0.27 0.00 0.02 0.00 0.00 57.03 56.42 3iuk h ASP 224 Cb 0.00 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 3iuk h ASP 224 CO -0.02 1.34 -2.02 -0.62 -1.72 0.00 0.00 179.24 176.20 3iuk n GLU 225 N -3.28 0.61 -0.10 3.56 1.02 0.63 -4.67 120.64 118.41 3iuk n GLU 225 Ca -0.20 0.09 -0.17 0.00 -0.02 0.00 0.00 57.16 56.87 3iuk n GLU 225 Cb 1.04 -1.36 -0.08 0.00 -0.02 0.00 0.00 31.44 31.02 3iuk n GLU 225 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3iuk n LEU 226 N -2.96 1.85 -0.28 -4.62 7.94 -1.01 -4.42 117.00 113.50 3iuk n LEU 226 Ca -0.31 0.48 0.07 0.00 -1.11 0.00 0.00 56.01 55.15 3iuk n LEU 226 Cb 0.85 -0.92 0.22 0.00 0.53 0.00 0.00 43.42 44.11 3iuk n LEU 226 CO 0.19 0.04 1.05 0.25 -1.11 0.00 0.00 177.39 177.81 3iuk h LEU 227 N -1.00 0.37 -2.05 -1.96 5.85 -1.13 -1.13 115.31 114.25 3iuk h LEU 227 Ca -0.25 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3iuk h LEU 227 Cb 1.06 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3iuk h LEU 227 CO -0.15 0.12 0.00 -0.65 -0.34 0.00 0.00 178.44 177.42 3iuk h PRO 228 N 0.49 0.00 -0.21 5.25 0.11 -1.77 -2.11 132.00 133.77 3iuk h PRO 228 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 3iuk h PRO 228 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3iuk h PRO 228 CO -0.42 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.70 3iuk n VAL 229 N -2.89 0.72 -2.37 3.15 0.24 -0.50 -5.03 118.33 111.66 3iuk n VAL 229 Ca -0.01 -0.86 -0.40 0.00 -2.04 0.00 0.00 64.34 61.03 3iuk n VAL 229 Cb 0.16 0.69 -0.03 0.00 -1.47 0.00 0.00 33.84 33.18 3iuk n VAL 229 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3iuk s ALA 230 N -0.93 3.37 0.44 2.33 0.00 -0.78 -4.92 121.76 121.27 3iuk s ALA 230 Ca 0.16 0.98 -0.24 0.00 0.00 0.00 0.00 51.96 52.86 3iuk s ALA 230 Cb 0.09 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 3iuk s ALA 230 CO 0.12 -0.33 1.26 -1.25 0.00 0.00 0.00 175.76 175.57 3iuk s PRO 231 N -1.72 3.78 0.17 0.00 0.04 -1.26 -4.63 135.00 131.40 3iuk s PRO 231 Ca 0.48 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.52 3iuk s PRO 231 Cb -0.33 -2.57 0.05 0.00 0.04 0.00 0.00 34.50 31.69 3iuk s PRO 231 CO 0.43 -0.61 1.44 0.93 0.04 0.00 0.00 177.00 179.23 3iuk h GLU 232 N 2.31 0.51 -6.46 4.56 4.39 -1.94 -0.37 114.58 117.58 3iuk h GLU 232 Ca -0.50 -0.38 -0.53 0.00 0.34 0.00 0.00 59.36 58.29 3iuk h GLU 232 Cb 1.25 0.07 0.02 0.00 -0.10 0.00 0.00 28.75 29.99 3iuk h GLU 232 CO 0.61 1.00 0.97 0.21 -1.16 0.00 0.00 179.01 180.65 3iuk s LYS 233 N -3.78 4.21 0.07 2.33 2.20 -1.26 -4.71 119.74 118.80 3iuk s LYS 233 Ca -0.07 2.31 -0.09 0.00 -0.36 0.00 0.00 55.97 57.75 3iuk s LYS 233 Cb 0.10 -3.55 -0.29 0.00 -1.51 0.00 0.00 37.83 32.59 3iuk s LYS 233 CO 0.85 -0.71 1.11 -0.44 -0.36 0.00 0.00 175.35 175.80 3iuk h ASP 234 N 8.12 0.63 -2.54 1.43 3.32 -1.96 -3.44 116.42 121.98 3iuk h ASP 234 Ca -0.42 -0.64 -0.58 0.00 0.02 0.00 0.00 57.03 55.40 3iuk h ASP 234 Cb 1.20 -0.20 0.07 0.00 0.22 0.00 0.00 39.33 40.62 3iuk h ASP 234 CO 0.93 1.49 0.70 0.00 -1.72 0.00 0.00 179.24 180.64 3iuk n ALA 235 N -2.61 1.28 0.25 3.45 0.00 -1.26 -4.90 120.51 116.72 3iuk n ALA 235 Ca -0.12 0.42 0.12 0.00 0.00 0.00 0.00 53.44 53.86 3iuk n ALA 235 Cb 1.02 -2.32 0.03 0.00 0.00 0.00 0.00 19.45 18.18 3iuk n ALA 235 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3iuk n VAL 236 N 2.54 0.47 0.00 0.00 0.24 -1.25 -5.02 118.33 115.31 3iuk n VAL 236 Ca 0.14 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 3iuk n VAL 236 Cb 0.31 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 3iuk n VAL 236 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iuk n GLY 237 N 1.24 -0.02 0.21 7.63 0.00 -0.69 -4.49 105.19 109.08 3iuk n GLY 237 Ca 0.01 -1.72 -0.04 0.00 0.00 0.00 0.00 46.02 44.26 3iuk n GLY 237 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3iuk h ARG 238 N 0.00 0.53 0.32 1.61 2.43 -1.93 -0.52 114.38 116.82 3iuk h ARG 238 Ca 0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3iuk h ARG 238 Cb 0.00 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3iuk h ARG 238 CO 0.00 0.35 -0.15 1.49 -1.51 0.00 0.00 179.97 180.15 3iuk h GLU 239 N 0.55 -0.41 -0.97 0.20 4.81 -1.98 -0.66 114.58 116.11 3iuk h GLU 239 Ca 0.23 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.51 3iuk h GLU 239 Cb 0.12 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 3iuk h GLU 239 CO -0.15 -0.11 0.64 0.00 -0.73 0.00 0.00 179.01 178.66 3iuk h ARG 240 N -0.71 1.25 -0.17 1.92 3.08 -1.78 -3.09 114.38 114.89 3iuk h ARG 240 Ca -0.04 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 3iuk h ARG 240 Cb 0.49 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3iuk h ARG 240 CO 0.07 0.83 0.07 -0.92 -1.07 0.00 0.00 179.97 178.95 3iuk h TYR 241 N 1.29 0.26 -0.91 3.04 3.20 -0.82 -1.91 116.97 121.12 3iuk h TYR 241 Ca 0.37 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.25 3iuk h TYR 241 Cb -0.10 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.04 3iuk h TYR 241 CO -0.00 0.32 0.60 1.03 -1.64 0.00 0.00 178.16 178.47 3iuk h SER 242 N 0.12 0.99 -0.27 -2.11 0.87 -1.05 0.11 113.55 112.20 3iuk h SER 242 Ca 0.06 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.51 3iuk h SER 242 Cb 0.17 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3iuk h SER 242 CO -0.00 0.68 -0.21 -0.07 -0.53 0.00 0.00 176.83 176.70 3iuk h LEU 243 N 1.15 0.66 -0.42 2.23 3.38 -1.45 -1.41 115.31 119.44 3iuk h LEU 243 Ca 0.36 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3iuk h LEU 243 Cb 0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3iuk h LEU 243 CO -0.11 0.96 0.19 0.00 0.09 0.00 0.00 178.44 179.58 3iuk h ALA 244 N 0.71 0.54 -0.57 1.53 0.00 -0.94 -2.22 119.26 118.31 3iuk h ALA 244 Ca 0.05 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.94 3iuk h ALA 244 Cb 0.75 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 3iuk h ALA 244 CO 0.05 0.11 0.17 1.03 0.00 0.00 0.00 179.25 180.61 3iuk h SER 245 N 0.53 0.12 -0.76 0.00 0.87 -0.76 -0.96 113.55 112.59 3iuk h SER 245 Ca 0.14 0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.81 3iuk h SER 245 Cb 0.13 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 3iuk h SER 245 CO -0.02 0.08 0.50 0.03 -0.53 0.00 0.00 176.83 176.89 3iuk h ARG 246 N 0.33 0.94 -0.81 2.24 3.08 -0.99 -1.46 114.38 117.71 3iuk h ARG 246 Ca 0.29 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 3iuk h ARG 246 Cb 0.37 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 3iuk h ARG 246 CO -0.32 0.62 0.43 0.66 -1.07 0.00 0.00 179.97 180.29 3iuk h SER 247 N 0.97 1.01 1.23 7.04 4.64 -0.57 0.92 113.55 128.79 3iuk h SER 247 Ca 0.29 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3iuk h SER 247 Cb -0.02 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.81 3iuk h SER 247 CO -0.08 0.82 -0.64 -0.26 -0.87 0.00 0.00 176.83 175.81 3iuk h PHE 248 N 1.13 0.00 0.00 4.77 0.04 -0.99 -3.40 116.94 118.49 3iuk h PHE 248 Ca 0.28 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.02 3iuk h PHE 248 Cb 0.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3iuk h PHE 248 CO 0.01 0.00 -1.16 -0.89 -0.60 0.00 0.00 178.31 175.67 3iuk n ILE 249 N -2.64 0.12 -2.49 -0.55 5.41 -0.59 0.61 119.36 119.23 3iuk n ILE 249 Ca 0.02 -0.09 -0.19 0.00 1.00 0.00 0.00 62.75 63.49 3iuk n ILE 249 Cb 0.52 -0.56 0.00 0.00 -0.71 0.00 0.00 39.64 38.89 3iuk n ILE 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3iuk n GLY 250 N 2.71 -0.39 3.18 7.39 0.00 0.30 -2.05 105.19 116.33 3iuk n GLY 250 Ca -0.03 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 3iuk n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iuk s ALA 251 N -2.97 -0.68 -0.96 4.61 0.00 -1.26 -1.43 121.76 119.07 3iuk s ALA 251 Ca 0.07 0.55 -0.14 0.00 0.00 0.00 0.00 51.96 52.44 3iuk s ALA 251 Cb -0.03 -0.24 0.21 0.00 0.00 0.00 0.00 23.12 23.07 3iuk s ALA 251 CO 0.08 -0.18 1.00 -2.00 0.00 0.00 0.00 175.76 174.66 3iuk s GLU 252 N -0.48 3.81 0.72 0.00 2.12 -1.26 -4.20 118.70 119.40 3iuk s GLU 252 Ca -0.06 -2.53 -0.11 0.00 0.36 0.00 0.00 54.97 52.63 3iuk s GLU 252 Cb -0.04 -4.63 0.02 0.00 0.26 0.00 0.00 34.13 29.74 3iuk s GLU 252 CO 0.02 -1.43 1.08 0.14 -0.54 0.00 0.00 175.26 174.53 3iuk s VAL 253 N 0.46 3.64 -0.39 3.70 -7.23 -1.26 -4.97 120.40 114.35 3iuk s VAL 253 Ca 0.27 0.53 -0.28 0.00 -1.81 0.00 0.00 61.98 60.69 3iuk s VAL 253 Cb -0.08 -3.43 0.02 0.00 0.56 0.00 0.00 36.38 33.45 3iuk s VAL 253 CO -0.08 -0.70 1.07 -0.62 -0.31 0.00 0.00 175.10 174.46 3iuk s ASP 254 N -4.14 6.76 0.10 4.85 -1.08 -1.26 -4.93 116.67 116.97 3iuk s ASP 254 Ca 0.58 0.72 -0.16 0.00 -0.52 0.00 0.00 52.55 53.18 3iuk s ASP 254 Cb -0.12 -2.53 -0.07 0.00 -1.46 0.00 0.00 42.92 38.73 3iuk s ASP 254 CO 0.53 -1.02 1.45 -0.07 0.52 0.00 0.00 175.17 176.58 3iuk h LEU 255 N 10.53 0.67 -0.63 -1.34 3.38 -1.99 0.20 115.31 126.13 3iuk h LEU 255 Ca -0.22 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.24 3iuk h LEU 255 Cb 1.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3iuk h LEU 255 CO 1.06 0.94 0.05 -0.33 0.09 0.00 0.00 178.44 180.26 3iuk h GLU 256 N 0.39 1.07 -0.39 1.13 3.07 -1.99 0.28 114.58 118.15 3iuk h GLU 256 Ca 0.06 -0.31 -0.05 0.00 -0.50 0.00 0.00 59.36 58.56 3iuk h GLU 256 Cb 0.71 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 3iuk h GLU 256 CO 0.05 1.02 0.03 1.49 -1.40 0.00 0.00 179.01 180.20 3iuk h GLU 257 N 0.98 0.67 -0.48 2.33 4.22 -1.94 -1.23 114.58 119.13 3iuk h GLU 257 Ca 0.18 -0.20 -0.02 0.00 0.08 0.00 0.00 59.36 59.40 3iuk h GLU 257 Cb 0.50 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3iuk h GLU 257 CO 0.02 0.74 0.21 1.15 -2.18 0.00 0.00 179.01 178.95 3iuk h THR 258 N 0.51 1.20 -0.14 0.32 2.02 -0.43 -0.57 112.91 115.82 3iuk h THR 258 Ca 0.12 -0.61 0.04 0.00 0.77 0.00 0.00 66.41 66.73 3iuk h THR 258 Cb 0.42 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 3iuk h THR 258 CO 0.01 0.23 -0.08 0.22 0.37 0.00 0.00 175.52 176.28 3iuk h TYR 259 N 0.64 -0.19 -0.61 3.16 3.20 -0.92 0.52 116.97 122.77 3iuk h TYR 259 Ca 0.16 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.09 3iuk h TYR 259 Cb 0.17 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 3iuk h TYR 259 CO -0.00 -0.12 0.35 0.00 -1.64 0.00 0.00 178.16 176.75 3iuk h ALA 260 N 1.05 0.79 -0.76 1.82 0.00 -1.02 -1.40 119.26 119.75 3iuk h ALA 260 Ca 0.08 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3iuk h ALA 260 Cb 0.19 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3iuk h ALA 260 CO -0.19 0.06 0.45 2.35 0.00 0.00 0.00 179.25 181.92 3iuk h TRP 261 N 0.68 0.83 -0.48 0.00 7.01 -0.86 -2.58 115.95 120.55 3iuk h TRP 261 Ca 0.26 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 61.18 3iuk h TRP 261 Cb 0.09 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 26.87 3iuk h TRP 261 CO -0.07 0.42 -0.12 0.78 -2.79 0.00 0.00 178.44 176.66 3iuk h GLY 262 N 0.83 0.96 0.96 2.65 0.00 -0.03 0.76 103.07 109.20 3iuk h GLY 262 Ca 0.33 -0.76 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 3iuk h GLY 262 CO -0.17 0.69 0.19 -2.08 0.00 0.00 0.00 176.54 175.17 3iuk h VAL 263 N 0.79 1.19 -0.48 4.60 2.07 -1.16 -0.17 116.25 123.10 3iuk h VAL 263 Ca 0.13 -0.58 -0.10 0.00 0.82 0.00 0.00 66.70 66.96 3iuk h VAL 263 Cb 0.65 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3iuk h VAL 263 CO 0.04 0.22 -0.10 -0.61 0.02 0.00 0.00 177.57 177.15 3iuk h GLN 264 N 0.57 0.91 -0.67 1.57 4.15 -1.18 -1.92 115.11 118.55 3iuk h GLN 264 Ca 0.15 -0.34 -0.06 0.00 0.77 0.00 0.00 58.65 59.17 3iuk h GLN 264 Cb 0.16 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 3iuk h GLN 264 CO -0.01 0.99 0.18 1.49 -1.93 0.00 0.00 178.83 179.54 3iuk h GLU 265 N 0.76 1.06 -0.26 1.69 4.57 -0.69 -0.81 114.58 120.90 3iuk h GLU 265 Ca 0.12 -0.25 0.01 0.00 -1.18 0.00 0.00 59.36 58.07 3iuk h GLU 265 Cb 0.64 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 3iuk h GLU 265 CO 0.04 0.94 0.16 1.25 -1.18 0.00 0.00 179.01 180.22 3iuk h LEU 266 N 0.99 0.26 -0.96 1.64 5.85 -0.91 -1.02 115.31 121.15 3iuk h LEU 266 Ca 0.21 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.00 3iuk h LEU 266 Cb 0.35 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 3iuk h LEU 266 CO -0.00 0.19 0.62 -0.08 -0.34 0.00 0.00 178.44 178.83 3iuk h GLU 267 N 0.33 1.08 -0.25 1.25 4.81 -1.06 -1.26 114.58 119.48 3iuk h GLU 267 Ca 0.10 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3iuk h GLU 267 Cb -0.01 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 3iuk h GLU 267 CO -0.04 0.72 0.03 -0.09 -0.73 0.00 0.00 179.01 178.90 3iuk h ARG 268 N 1.12 0.41 -0.44 1.92 2.43 -0.68 -2.09 114.38 117.04 3iuk h ARG 268 Ca 0.42 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.42 3iuk h ARG 268 Cb 0.18 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3iuk h ARG 268 CO -0.18 0.55 0.04 -0.07 -1.51 0.00 0.00 179.97 178.81 3iuk h LEU 269 N 0.21 0.66 -0.60 3.80 3.38 -0.75 0.03 115.31 122.05 3iuk h LEU 269 Ca 0.07 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3iuk h LEU 269 Cb 0.35 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3iuk h LEU 269 CO 0.01 0.70 0.17 0.40 0.09 0.00 0.00 178.44 179.81 3iuk h ILE 270 N 0.67 1.25 -0.78 1.22 2.04 -1.06 0.47 117.51 121.31 3iuk h ILE 270 Ca 0.14 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.16 3iuk h ILE 270 Cb 0.35 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 3iuk h ILE 270 CO 0.01 0.32 0.52 -1.28 0.00 0.00 0.00 178.15 177.72 3iuk h SER 271 N 0.85 0.90 -0.41 1.72 0.87 -0.61 -0.28 113.55 116.60 3iuk h SER 271 Ca 0.19 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 3iuk h SER 271 Cb 0.31 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 3iuk h SER 271 CO -0.00 0.65 0.12 -0.33 -0.53 0.00 0.00 176.83 176.74 3iuk h GLU 272 N 1.06 0.63 -0.93 2.24 4.39 -0.72 -2.36 114.58 118.89 3iuk h GLU 272 Ca 0.29 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 59.89 3iuk h GLU 272 Cb -0.12 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.38 3iuk h GLU 272 CO -0.06 0.63 0.61 1.96 -1.16 0.00 0.00 179.01 180.99 3iuk h GLN 273 N 0.51 1.10 -0.94 2.33 4.20 -0.14 -0.98 115.11 121.19 3iuk h GLN 273 Ca 0.13 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 3iuk h GLN 273 Cb 0.27 -0.25 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 3iuk h GLN 273 CO -0.00 0.73 0.58 0.93 -0.67 0.00 0.00 178.83 180.39 3iuk h GLU 274 N 1.14 1.27 -0.38 1.46 5.08 -0.84 0.10 114.58 122.41 3iuk h GLU 274 Ca 0.38 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 3iuk h GLU 274 Cb 0.06 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3iuk h GLU 274 CO -0.12 0.88 0.11 0.87 -1.00 0.00 0.00 179.01 179.75 3iuk h LYS 275 N 1.30 0.59 -0.56 2.33 1.57 -0.87 -2.99 116.57 117.95 3iuk h LYS 275 Ca 0.34 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 3iuk h LYS 275 Cb -0.07 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3iuk h LYS 275 CO -0.07 0.62 0.11 0.28 -0.57 0.00 0.00 179.45 179.82 3iuk h VAL 276 N 0.46 1.24 -0.99 0.50 2.07 -0.82 -2.25 116.25 116.46 3iuk h VAL 276 Ca 0.12 -0.88 0.13 0.00 0.82 0.00 0.00 66.70 66.88 3iuk h VAL 276 Cb 0.28 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 3iuk h VAL 276 CO -0.00 0.33 0.62 0.00 0.02 0.00 0.00 177.57 178.54 3iuk h ALA 277 N 1.28 1.57 0.00 1.67 0.00 -0.67 -0.67 119.26 122.45 3iuk h ALA 277 Ca 0.18 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3iuk h ALA 277 Cb 0.34 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3iuk h ALA 277 CO 0.00 0.17 -0.13 0.78 0.00 0.00 0.00 179.25 180.07 3iuk h GLY 278 N 0.94 0.00 2.00 0.00 0.00 -1.28 -1.18 103.07 103.55 3iuk h GLY 278 Ca 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.73 3iuk h GLY 278 CO -0.26 0.00 -0.46 1.46 0.00 0.00 0.00 176.54 177.27 3iuk h GLN 279 N 0.00 0.00 0.05 4.80 4.20 -0.73 -3.12 115.11 120.31 3iuk h GLN 279 Ca -0.00 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 3iuk h GLN 279 Cb 0.85 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.64 3iuk h GLN 279 CO 0.02 0.46 -0.84 0.82 -0.67 0.00 0.00 178.83 178.62 3iuk h ILE 280 N 0.00 1.39 -2.33 2.54 2.04 -0.87 -3.46 117.51 116.82 3iuk h ILE 280 Ca -0.00 -2.26 -0.03 0.00 1.00 0.00 0.00 64.86 63.56 3iuk h ILE 280 Cb 1.08 2.68 -0.25 0.00 -0.74 0.00 0.00 36.82 39.60 3iuk h ILE 280 CO 0.06 0.67 -0.26 -0.75 0.00 0.00 0.00 178.15 177.87 3iuk s LYS 281 N -3.05 0.44 -0.03 2.37 2.20 -0.49 -5.10 119.74 116.08 3iuk s LYS 281 Ca -0.12 1.16 -0.37 0.00 -0.36 0.00 0.00 55.97 56.28 3iuk s LYS 281 Cb 0.04 0.45 -0.16 0.00 -1.51 0.00 0.00 37.83 36.65 3iuk s LYS 281 CO 0.86 -0.22 1.52 -2.30 -0.36 0.00 0.00 175.35 174.85 3iuk n PRO 282 N 5.21 1.30 -0.84 4.03 -0.02 -1.18 -1.02 135.00 142.48 3iuk n PRO 282 Ca -0.12 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3iuk n PRO 282 Cb 0.51 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3iuk n PRO 282 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iuk n GLY 283 N 3.21 0.53 3.77 -1.23 0.00 -1.26 -5.00 105.19 105.21 3iuk n GLY 283 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3iuk n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iuk s ALA 284 N -2.54 3.28 0.78 4.61 0.00 -0.19 -4.99 121.76 122.72 3iuk s ALA 284 Ca 0.00 1.35 -0.11 0.00 0.00 0.00 0.00 51.96 53.20 3iuk s ALA 284 Cb 0.00 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.65 3iuk s ALA 284 CO 0.00 -0.97 1.08 -1.54 0.00 0.00 0.00 175.76 174.33 3iuk s SER 285 N -0.60 4.50 0.21 0.00 1.04 -1.26 -4.24 113.70 113.35 3iuk s SER 285 Ca 0.58 1.60 -0.09 0.00 0.48 0.00 0.00 55.95 58.51 3iuk s SER 285 Cb -0.41 -2.35 0.29 0.00 0.10 0.00 0.00 66.02 63.66 3iuk s SER 285 CO 0.53 -2.00 1.73 0.40 0.98 0.00 0.00 173.24 174.88 3iuk h ILE 286 N -1.11 0.73 -0.67 -1.02 2.04 -1.91 -0.37 117.51 115.21 3iuk h ILE 286 Ca -0.46 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.21 3iuk h ILE 286 Cb 1.24 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3iuk h ILE 286 CO 0.55 0.07 0.13 -0.08 0.00 0.00 0.00 178.15 178.82 3iuk h GLU 287 N 0.37 1.09 -0.30 2.37 4.81 -1.99 -0.78 114.58 120.15 3iuk h GLU 287 Ca 0.31 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3iuk h GLU 287 Cb 0.42 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3iuk h GLU 287 CO -0.34 0.99 0.13 0.93 -0.73 0.00 0.00 179.01 179.99 3iuk h GLU 288 N 1.02 0.44 -0.72 1.92 5.08 -1.81 -1.66 114.58 118.84 3iuk h GLU 288 Ca 0.21 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3iuk h GLU 288 Cb 0.41 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 3iuk h GLU 288 CO 0.01 0.44 0.48 0.00 -1.00 0.00 0.00 179.01 178.94 3iuk h ALA 289 N 0.97 1.51 -0.28 3.43 0.00 -0.70 -2.83 119.26 121.36 3iuk h ALA 289 Ca 0.10 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3iuk h ALA 289 Cb 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3iuk h ALA 289 CO -0.01 0.45 -0.29 0.87 0.00 0.00 0.00 179.25 180.27 3iuk h LYS 290 N 0.96 0.58 -0.64 0.00 1.57 -0.74 -1.99 116.57 116.29 3iuk h LYS 290 Ca 0.27 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3iuk h LYS 290 Cb -0.08 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3iuk h LYS 290 CO -0.06 0.80 0.23 0.77 -0.57 0.00 0.00 179.45 180.62 3iuk h SER 291 N 0.50 0.92 -0.23 0.86 0.02 -1.08 -0.26 113.55 114.27 3iuk h SER 291 Ca 0.06 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 60.84 3iuk h SER 291 Cb 0.75 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3iuk h SER 291 CO 0.06 0.86 0.09 0.40 -1.14 0.00 0.00 176.83 177.10 3iuk h ILE 292 N 0.92 0.95 -0.43 3.27 2.04 -1.33 -1.12 117.51 121.81 3iuk h ILE 292 Ca 0.21 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 3iuk h ILE 292 Cb 0.26 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3iuk h ILE 292 CO -0.01 0.04 0.23 -0.07 0.00 0.00 0.00 178.15 178.34 3iuk h LEU 293 N 0.20 0.54 -0.13 1.44 3.38 -1.11 -1.67 115.31 117.96 3iuk h LEU 293 Ca 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iuk h LEU 293 Cb 0.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3iuk h LEU 293 CO -0.09 0.48 0.00 0.59 0.09 0.00 0.00 178.44 179.51 3iuk n ASN 294 N -4.70 0.29 -0.21 -0.43 3.02 -0.13 -3.12 115.26 109.98 3iuk n ASN 294 Ca 0.01 0.55 0.02 0.00 -0.03 0.00 0.00 54.58 55.13 3iuk n ASN 294 Cb 0.09 -0.62 0.04 0.00 -0.61 0.00 0.00 39.78 38.68 3iuk n ASN 294 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3iuk n ASN 295 N -1.80 1.92 -4.58 6.41 3.02 -0.43 -4.99 115.26 114.82 3iuk n ASN 295 Ca 0.05 -1.65 -0.42 0.00 -0.03 0.00 0.00 54.58 52.53 3iuk n ASN 295 Cb 0.29 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.35 3iuk n ASN 295 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3iuk s ASP 296 N -0.72 6.49 0.46 6.41 -1.08 -0.66 -4.94 116.67 122.63 3iuk s ASP 296 Ca 0.07 0.23 0.27 0.00 -0.52 0.00 0.00 52.55 52.60 3iuk s ASP 296 Cb 0.04 -2.36 1.32 0.00 -1.46 0.00 0.00 42.92 40.46 3iuk s ASP 296 CO 0.06 -0.68 1.78 -0.65 0.52 0.00 0.00 175.17 176.20 3iuk h PRO 297 N 8.50 0.20 0.00 4.34 0.11 -1.91 0.13 132.00 143.37 3iuk h PRO 297 Ca -0.25 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 3iuk h PRO 297 Cb 1.10 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3iuk h PRO 297 CO 0.88 0.13 -0.02 0.00 -0.21 0.00 0.00 178.00 178.78 3iuk h ALA 298 N 1.53 1.02 -0.64 -0.75 0.00 -1.95 -3.04 119.26 115.43 3iuk h ALA 298 Ca 0.59 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.36 3iuk h ALA 298 Cb 1.88 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.60 3iuk h ALA 298 CO -0.17 0.03 0.14 0.54 0.00 0.00 0.00 179.25 179.78 3iuk n ARG 299 N -3.14 4.13 -4.76 0.00 1.74 0.47 -4.90 116.66 110.21 3iuk n ARG 299 Ca -0.00 -3.12 -0.24 0.00 -0.77 0.00 0.00 57.85 53.72 3iuk n ARG 299 Cb 0.27 -2.21 -0.15 0.00 -1.02 0.00 0.00 32.46 29.35 3iuk n ARG 299 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3iuk s GLN 300 N -2.91 1.31 0.01 5.56 -0.21 -1.15 -2.27 119.66 120.01 3iuk s GLN 300 Ca 0.54 -0.60 0.08 0.00 0.02 0.00 0.00 55.36 55.40 3iuk s GLN 300 Cb 0.43 -1.27 -0.02 0.00 1.00 0.00 0.00 33.01 33.14 3iuk s GLN 300 CO 0.14 0.35 -0.24 0.42 -2.12 0.00 0.00 175.29 173.84 3iuk s ILE 301 N -0.41 1.89 -0.25 1.08 1.01 0.11 -4.92 121.20 119.71 3iuk s ILE 301 Ca 0.06 -1.12 -0.09 0.00 0.00 0.00 0.00 60.65 59.51 3iuk s ILE 301 Cb -0.06 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 3iuk s ILE 301 CO -0.01 0.44 0.11 -0.75 0.00 0.00 0.00 174.94 174.73 3iuk s LYS 302 N -0.80 3.78 0.00 2.79 2.47 -1.26 -0.76 119.74 125.96 3iuk s LYS 302 Ca 0.09 -0.41 0.00 0.00 -1.56 0.00 0.00 55.97 54.09 3iuk s LYS 302 Cb -0.09 -3.43 0.00 0.00 -1.46 0.00 0.00 37.83 32.85 3iuk s LYS 302 CO 0.00 -0.15 0.00 0.41 0.16 0.00 0.00 175.35 175.77 3iuk n GLY 303 N 4.85 -0.88 0.17 5.54 0.00 -0.14 -4.51 105.19 110.22 3iuk n GLY 303 Ca -0.15 -1.49 0.03 0.00 0.00 0.00 0.00 46.02 44.41 3iuk n GLY 303 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3iuk h THR 304 N 0.00 1.06 -0.01 2.61 1.35 -1.95 -2.14 112.91 113.83 3iuk h THR 304 Ca 0.00 -1.75 -0.00 0.00 -0.55 0.00 0.00 66.41 64.11 3iuk h THR 304 Cb 0.00 2.02 -0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3iuk h THR 304 CO 0.00 0.45 0.01 0.44 -0.25 0.00 0.00 175.52 176.17 3iuk h ASP 305 N 0.00 0.02 -0.72 5.36 5.19 -1.99 0.15 116.42 124.43 3iuk h ASP 305 Ca -0.00 -0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.25 3iuk h ASP 305 Cb 0.98 -0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.46 3iuk h ASP 305 CO 0.06 0.15 0.36 0.00 -3.12 0.00 0.00 179.24 176.69 3iuk h ALA 306 N 0.87 1.26 0.07 3.45 0.00 -1.77 0.10 119.26 123.24 3iuk h ALA 306 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3iuk h ALA 306 Cb 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3iuk h ALA 306 CO -0.00 0.58 -0.03 1.25 0.00 0.00 0.00 179.25 181.04 3iuk h LEU 307 N 1.03 -0.07 -0.81 0.00 5.85 -1.15 -0.81 115.31 119.35 3iuk h LEU 307 Ca 0.26 -0.13 0.11 0.00 0.84 0.00 0.00 57.88 58.95 3iuk h LEU 307 Cb 0.08 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.06 3iuk h LEU 307 CO -0.04 0.09 0.44 0.11 -0.34 0.00 0.00 178.44 178.71 3iuk h LYS 308 N -0.23 0.70 -0.67 1.25 1.57 -0.49 -2.56 116.57 116.14 3iuk h LYS 308 Ca -0.01 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 3iuk h LYS 308 Cb 0.20 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3iuk h LYS 308 CO 0.01 0.46 0.19 0.00 -0.57 0.00 0.00 179.45 179.55 3iuk h ALA 309 N 1.47 1.08 0.00 3.86 0.00 -0.70 0.80 119.26 125.77 3iuk h ALA 309 Ca 0.40 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3iuk h ALA 309 Cb 0.43 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3iuk h ALA 309 CO -0.28 0.62 0.00 1.87 0.00 0.00 0.00 179.25 181.47 3iuk n TRP 310 N -4.26 0.00 0.00 0.00 -0.00 -0.34 -1.91 117.44 110.94 3iuk n TRP 310 Ca 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 57.50 57.53 3iuk n TRP 310 Cb 0.23 -0.04 0.00 0.00 -0.00 0.00 0.00 31.31 31.50 3iuk n TRP 310 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 3iuk n GLN 312 N 0.46 0.00 -0.10 5.87 -0.06 0.27 -2.15 117.38 121.67 3iuk n GLN 312 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.88 3iuk n GLN 312 Cb 0.07 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.21 3iuk n GLN 312 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 3iuk h GLU 313 N 0.00 0.65 -0.50 3.69 4.22 -1.63 0.14 114.58 121.15 3iuk h GLU 313 Ca 0.00 -0.30 0.00 0.00 0.08 0.00 0.00 59.36 59.14 3iuk h GLU 313 Cb 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3iuk h GLU 313 CO 0.00 0.90 0.33 -0.07 -2.18 0.00 0.00 179.01 177.98 3iuk h LEU 314 N 0.39 0.58 -0.30 1.64 3.38 -1.69 -0.09 115.31 119.22 3iuk h LEU 314 Ca 0.06 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3iuk h LEU 314 Cb 0.73 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3iuk h LEU 314 CO 0.05 0.43 0.06 0.28 0.09 0.00 0.00 178.44 179.35 3iuk h SER 315 N 0.68 0.46 0.01 -0.43 0.02 -1.79 -1.20 113.55 111.30 3iuk h SER 315 Ca 0.18 -0.24 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 3iuk h SER 315 Cb -0.07 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 3iuk h SER 315 CO -0.04 0.58 -0.29 0.44 -1.14 0.00 0.00 176.83 176.38 3iuk h ASP 316 N 0.32 0.43 -0.25 3.07 3.32 -0.49 -1.39 116.42 121.43 3iuk h ASP 316 Ca 0.09 -0.15 -0.15 0.00 0.02 0.00 0.00 57.03 56.84 3iuk h ASP 316 Cb 0.31 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 3iuk h ASP 316 CO 0.00 0.71 -0.42 -0.09 -1.72 0.00 0.00 179.24 177.72 3iuk h ARG 317 N 0.37 0.72 -0.29 3.56 2.43 -0.81 -0.51 114.38 119.85 3iuk h ARG 317 Ca 0.05 -0.45 0.01 0.00 -0.81 0.00 0.00 59.98 58.78 3iuk h ARG 317 Cb 0.71 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 3iuk h ARG 317 CO 0.05 1.07 0.17 0.00 -1.51 0.00 0.00 179.97 179.76 3iuk h ALA 318 N 0.65 0.37 -0.15 2.80 0.00 -0.99 0.17 119.26 122.10 3iuk h ALA 318 Ca 0.02 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3iuk h ALA 318 Cb 1.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3iuk h ALA 318 CO 0.10 -0.19 0.04 0.28 0.00 0.00 0.00 179.25 179.48 3iuk h VAL 319 N 0.36 0.95 -0.01 0.00 2.07 -1.08 -0.57 116.25 117.97 3iuk h VAL 319 Ca 0.11 -0.04 -0.14 0.00 0.82 0.00 0.00 66.70 67.46 3iuk h VAL 319 Cb -0.01 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3iuk h VAL 319 CO -0.05 0.02 -0.64 0.77 0.02 0.00 0.00 177.57 177.69 3iuk h SER 320 N 0.12 0.03 0.72 0.57 4.64 -0.86 -0.57 113.55 118.20 3iuk h SER 320 Ca 0.07 -0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 61.13 3iuk h SER 320 Cb 0.05 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 3iuk h SER 320 CO -0.07 0.67 -1.09 -0.33 -0.87 0.00 0.00 176.83 175.14 3iuk h GLU 321 N 0.02 0.18 0.01 4.77 5.08 -0.79 -3.36 114.58 120.49 3iuk h GLU 321 Ca -0.01 -0.28 -0.28 0.00 -1.00 0.00 0.00 59.36 57.79 3iuk h GLU 321 Cb 1.14 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 3iuk h GLU 321 CO 0.09 1.10 -1.58 -0.07 -1.00 0.00 0.00 179.01 177.55 3iuk h LEU 322 N 0.07 0.03 -9.31 1.33 3.38 -0.93 -3.44 115.31 106.43 3iuk h LEU 322 Ca -0.08 -0.05 -0.65 0.00 0.09 0.00 0.00 57.88 57.19 3iuk h LEU 322 Cb 1.80 -0.01 0.04 0.00 0.09 0.00 0.00 40.66 42.58 3iuk h LEU 322 CO 0.17 1.05 0.78 0.00 0.09 0.00 0.00 178.44 180.53 3iuk n ALA 323 N -2.54 0.25 -1.58 1.53 0.00 -0.24 -1.41 120.51 116.52 3iuk n ALA 323 Ca -0.14 0.42 -0.19 0.00 0.00 0.00 0.00 53.44 53.53 3iuk n ALA 323 Cb 1.03 -2.28 -0.08 0.00 0.00 0.00 0.00 19.45 18.12 3iuk n ALA 323 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3iuk n ASP 324 N 4.24 -5.05 0.04 0.00 2.03 0.15 -4.76 116.55 113.20 3iuk n ASP 324 Ca 0.21 0.46 -0.00 0.00 0.52 0.00 0.00 54.79 55.97 3iuk n ASP 324 Cb 0.23 -4.50 -0.00 0.00 -0.72 0.00 0.00 41.12 36.13 3iuk n ASP 324 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3iuk n VAL 325 N -2.32 1.13 -0.01 5.18 0.31 -0.67 -4.90 118.33 117.06 3iuk n VAL 325 Ca -0.19 0.37 0.05 0.00 -0.01 0.00 0.00 64.34 64.56 3iuk n VAL 325 Cb 0.63 -1.56 -0.11 0.00 -0.91 0.00 0.00 33.84 31.90 3iuk n VAL 325 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3iuk n HIS 326 N -3.43 0.00 -3.96 3.52 8.25 -0.50 -4.47 115.22 114.63 3iuk n HIS 326 Ca -0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 3iuk n HIS 326 Cb 0.01 -0.36 -0.10 0.00 1.12 0.00 0.00 29.99 30.66 3iuk n HIS 326 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3iuk s PHE 327 N -2.87 0.23 -0.40 4.41 0.08 -1.04 -3.97 117.98 114.42 3iuk s PHE 327 Ca -0.05 -0.50 -0.23 0.00 0.12 0.00 0.00 56.93 56.27 3iuk s PHE 327 Cb 0.08 -0.17 0.02 0.00 -0.57 0.00 0.00 43.02 42.38 3iuk s PHE 327 CO 0.57 -0.26 0.79 -0.51 -0.10 0.00 0.00 175.22 175.71 3iuk s ASP 328 N -1.73 6.50 -0.39 1.36 1.01 -1.26 0.31 116.67 122.47 3iuk s ASP 328 Ca -0.11 0.19 0.03 0.00 0.71 0.00 0.00 52.55 53.37 3iuk s ASP 328 Cb -0.06 -2.40 0.11 0.00 1.01 0.00 0.00 42.92 41.59 3iuk s ASP 328 CO -0.02 -0.81 0.13 -0.63 0.21 0.00 0.00 175.17 174.05 3iuk s ILE 329 N 3.21 2.12 0.74 0.77 1.01 -1.26 -4.98 121.20 122.81 3iuk s ILE 329 Ca 0.31 -2.52 -0.16 0.00 0.00 0.00 0.00 60.65 58.28 3iuk s ILE 329 Cb -0.13 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.81 3iuk s ILE 329 CO 0.19 -0.69 0.86 -2.65 0.00 0.00 0.00 174.94 172.66 3iuk n PRO 330 N 3.94 0.39 -0.31 2.79 -0.02 -1.26 -4.66 135.00 135.88 3iuk n PRO 330 Ca 0.04 0.19 0.12 0.00 -2.02 0.00 0.00 63.50 61.83 3iuk n PRO 330 Cb 0.39 -2.13 0.30 0.00 -0.02 0.00 0.00 33.50 32.03 3iuk n PRO 330 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3iuk h ASP 331 N -0.41 0.40 0.00 2.55 3.32 -2.05 -2.32 116.42 117.91 3iuk h ASP 331 Ca -0.47 0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3iuk h ASP 331 Cb 1.33 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.98 3iuk h ASP 331 CO 0.45 0.06 0.00 1.33 -1.72 0.00 0.00 179.24 179.36 3iuk n VAL 332 N -4.99 0.82 0.00 -1.35 0.24 -1.26 -4.11 118.33 107.68 3iuk n VAL 332 Ca 0.21 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 3iuk n VAL 332 Cb 0.62 -1.08 0.00 0.00 -1.47 0.00 0.00 33.84 31.90 3iuk n VAL 332 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3iuk n LYS 334 N 1.43 0.00 -2.62 7.34 5.02 -0.88 -4.83 118.16 123.63 3iuk n LYS 334 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3iuk n LYS 334 Cb 0.24 -0.43 -0.03 0.00 -0.02 0.00 0.00 35.03 34.80 3iuk n LYS 334 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3iuk s THR 335 N 0.00 4.63 -0.28 -0.18 2.01 -1.26 -4.96 115.64 115.60 3iuk s THR 335 Ca 0.00 1.91 -0.02 0.00 0.31 0.00 0.00 61.69 63.90 3iuk s THR 335 Cb 0.00 -4.23 0.09 0.00 0.01 0.00 0.00 72.50 68.37 3iuk s THR 335 CO 0.00 -0.02 0.08 -0.22 -0.69 0.00 0.00 174.62 173.78 3iuk s LEU 336 N 2.21 1.74 -0.21 4.42 2.96 -1.26 -3.97 118.68 124.57 3iuk s LEU 336 Ca 0.50 -1.38 -0.29 0.00 -0.22 0.00 0.00 54.13 52.74 3iuk s LEU 336 Cb -0.20 -0.73 0.01 0.00 0.50 0.00 0.00 46.19 45.77 3iuk s LEU 336 CO 0.18 -0.39 1.06 -1.61 -1.32 0.00 0.00 176.35 174.26 3iuk s GLU 337 N 1.74 4.28 0.02 1.98 2.02 -0.73 -4.91 118.70 123.11 3iuk s GLU 337 Ca 0.07 1.39 -0.12 0.00 0.02 0.00 0.00 54.97 56.33 3iuk s GLU 337 Cb -0.17 -3.64 -0.06 0.00 0.10 0.00 0.00 34.13 30.37 3iuk s GLU 337 CO -0.22 -0.60 0.38 0.00 0.02 0.00 0.00 175.26 174.83 3iuk s ILE 340 N -1.22 2.13 0.32 0.00 -1.09 -1.26 -4.91 121.20 115.16 3iuk s ILE 340 Ca 0.27 -1.01 -0.29 0.00 -2.23 0.00 0.00 60.65 57.39 3iuk s ILE 340 Cb -0.15 -1.80 -0.10 0.00 -1.58 0.00 0.00 42.46 38.83 3iuk s ILE 340 CO 0.15 0.56 1.41 0.00 -1.23 0.00 0.00 174.94 175.83 3iuk s ALA 341 N 0.12 3.57 0.39 9.38 0.00 0.71 -4.79 121.76 131.13 3iuk s ALA 341 Ca -0.12 1.38 0.19 0.00 0.00 0.00 0.00 51.96 53.42 3iuk s ALA 341 Cb -0.16 -3.54 1.05 0.00 0.00 0.00 0.00 23.12 20.47 3iuk s ALA 341 CO 0.06 -0.80 1.95 -1.00 0.00 0.00 0.00 175.76 175.97 3iuk h PRO 342 N 3.80 0.00 -5.46 0.00 0.13 -2.00 -3.44 132.00 125.03 3iuk h PRO 342 Ca -0.49 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.17 3iuk h PRO 342 Cb 1.23 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 3iuk h PRO 342 CO 0.69 0.23 -0.68 0.95 -0.23 0.00 0.00 178.00 178.96 3iuk s THR 343 N -4.25 1.57 -1.11 1.56 -4.23 -1.26 -5.08 115.64 102.84 3iuk s THR 343 Ca -0.03 -2.12 -0.20 0.00 -1.18 0.00 0.00 61.69 58.16 3iuk s THR 343 Cb 0.14 -2.37 0.09 0.00 1.34 0.00 0.00 72.50 71.70 3iuk s THR 343 CO 0.66 -0.35 1.48 -0.62 -0.54 0.00 0.00 174.62 175.25 3iuk s ASP 344 N -3.40 6.70 0.00 3.99 3.68 -1.26 -4.68 116.67 121.70 3iuk s ASP 344 Ca 0.28 -2.05 0.03 0.00 2.13 0.00 0.00 52.55 52.95 3iuk s ASP 344 Cb 0.03 -2.52 0.20 0.00 -1.45 0.00 0.00 42.92 39.18 3iuk s ASP 344 CO 0.11 -1.23 1.04 -0.62 0.13 0.00 0.00 175.17 174.60 3iuk n GLU 345 N 7.92 0.91 -2.16 4.34 -0.58 -1.26 -4.90 120.64 124.91 3iuk n GLU 345 Ca 0.37 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 57.05 3iuk n GLU 345 Cb 0.48 -1.06 -0.00 0.00 -0.57 0.00 0.00 31.44 30.29 3iuk n GLU 345 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iuk n GLY 346 N 0.46 0.16 0.00 0.62 0.00 -1.26 -4.93 105.19 100.23 3iuk n GLY 346 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3iuk n GLY 346 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iuk n GLY 347 N -1.00 -1.62 3.75 -0.02 0.00 -1.26 -5.04 105.19 99.99 3iuk n GLY 347 Ca -0.06 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 3iuk n GLY 347 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iuk s ILE 348 N -2.35 4.65 0.13 -0.61 1.01 -1.26 -2.60 121.20 120.17 3iuk s ILE 348 Ca 0.00 1.70 0.03 0.00 0.00 0.00 0.00 60.65 62.38 3iuk s ILE 348 Cb 0.00 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 3iuk s ILE 348 CO 0.00 0.38 -0.09 -0.72 0.00 0.00 0.00 174.94 174.52 3iuk s TYR 349 N -0.22 1.13 -0.01 3.97 -0.85 -0.48 -4.97 117.35 115.92 3iuk s TYR 349 Ca 0.39 -0.82 0.07 0.00 -0.52 0.00 0.00 57.07 56.19 3iuk s TYR 349 Cb -0.21 -0.60 -0.02 0.00 0.38 0.00 0.00 41.96 41.50 3iuk s TYR 349 CO 0.24 -0.00 -0.22 -0.47 -1.52 0.00 0.00 175.55 173.58 3iuk s TYR 350 N -3.44 2.47 -0.12 -3.49 5.04 -1.26 -0.18 117.35 116.37 3iuk s TYR 350 Ca 0.15 -0.33 0.01 0.00 -2.44 0.00 0.00 57.07 54.46 3iuk s TYR 350 Cb 0.04 -1.52 0.02 0.00 0.35 0.00 0.00 41.96 40.84 3iuk s TYR 350 CO -0.01 0.09 -0.14 0.95 -1.34 0.00 0.00 175.55 175.09 3iuk s THR 351 N -0.71 1.46 0.95 4.34 -4.23 0.14 -5.01 115.64 112.57 3iuk s THR 351 Ca 0.11 -0.59 -0.14 0.00 -1.18 0.00 0.00 61.69 59.90 3iuk s THR 351 Cb -0.10 -1.36 0.16 0.00 1.34 0.00 0.00 72.50 72.54 3iuk s THR 351 CO 0.01 0.44 1.16 -0.83 -0.54 0.00 0.00 174.62 174.85 3iuk s GLY 352 N 1.26 1.60 0.80 3.99 0.00 -1.26 -0.83 107.32 112.87 3iuk s GLY 352 Ca -0.01 -0.65 -0.11 0.00 0.00 0.00 0.00 44.72 43.95 3iuk s GLY 352 CO -0.06 -0.03 1.11 2.56 0.00 0.00 0.00 173.10 176.68 3iuk s PRO 353 N -5.36 2.00 0.85 2.90 0.04 -1.26 -4.62 135.00 129.54 3iuk s PRO 353 Ca 0.66 1.29 -0.12 0.00 0.04 0.00 0.00 61.00 62.87 3iuk s PRO 353 Cb -0.13 -1.86 0.11 0.00 0.04 0.00 0.00 34.50 32.66 3iuk s PRO 353 CO 0.54 -1.85 1.18 -1.54 0.04 0.00 0.00 177.00 175.36 3iuk s SER 354 N -3.13 3.37 0.44 6.66 1.04 -0.10 -4.89 113.70 117.09 3iuk s SER 354 Ca 0.63 2.27 0.18 0.00 0.48 0.00 0.00 55.95 59.51 3iuk s SER 354 Cb -0.19 -2.58 1.12 0.00 0.10 0.00 0.00 66.02 64.47 3iuk s SER 354 CO 0.55 -2.81 1.91 0.44 0.98 0.00 0.00 173.24 174.31 3iuk h ASP 355 N -1.30 0.33 -0.14 7.02 3.32 -1.93 -1.42 116.42 122.30 3iuk h ASP 355 Ca -0.45 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3iuk h ASP 355 Cb 1.28 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3iuk h ASP 355 CO 0.44 0.16 0.00 -0.90 -1.72 0.00 0.00 179.24 177.22 3iuk n ASP 356 N -4.46 2.81 -0.39 6.45 5.68 -1.26 -4.88 116.55 120.50 3iuk n ASP 356 Ca 0.16 -1.91 -0.05 0.00 -0.50 0.00 0.00 54.79 52.49 3iuk n ASP 356 Cb 0.61 -0.08 -0.02 0.00 -1.14 0.00 0.00 41.12 40.49 3iuk n ASP 356 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3iuk n PHE 357 N 1.14 0.00 0.10 2.11 3.72 -0.54 -4.88 117.46 119.12 3iuk n PHE 357 Ca 0.16 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.53 3iuk n PHE 357 Cb 0.55 -1.84 0.15 0.00 -0.94 0.00 0.00 39.48 37.40 3iuk n PHE 357 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3iuk h SER 358 N 0.00 0.19 -3.80 4.37 4.64 -1.92 -3.37 113.55 113.66 3iuk h SER 358 Ca -0.10 -0.11 -0.63 0.00 -0.47 0.00 0.00 61.79 60.47 3iuk h SER 358 Cb 0.80 -0.06 -0.16 0.00 -0.31 0.00 0.00 62.40 62.68 3iuk h SER 358 CO 0.15 0.74 -0.42 -0.60 -0.87 0.00 0.00 176.83 175.83 3iuk s ARG 359 N -3.77 3.99 0.90 4.77 3.52 -1.26 -4.99 118.95 122.11 3iuk s ARG 359 Ca -0.03 -0.19 -0.12 0.00 -0.13 0.00 0.00 55.73 55.26 3iuk s ARG 359 Cb 0.12 -3.64 0.13 0.00 -1.56 0.00 0.00 34.95 30.00 3iuk s ARG 359 CO 0.78 -0.18 1.10 -1.25 -0.81 0.00 0.00 175.30 174.95 3iuk s PRO 360 N 1.77 1.27 0.56 5.12 0.04 -1.26 -0.92 135.00 141.58 3iuk s PRO 360 Ca 0.10 0.61 -0.21 0.00 0.04 0.00 0.00 61.00 61.54 3iuk s PRO 360 Cb -0.16 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 3iuk s PRO 360 CO 0.10 -2.18 1.24 0.41 0.04 0.00 0.00 177.00 176.62 3iuk n GLY 361 N -1.57 0.45 0.00 0.56 0.00 -1.25 -4.26 105.19 99.12 3iuk n GLY 361 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3iuk n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iuk n ARG 362 N -1.04 0.84 -3.34 1.61 1.74 -0.01 -1.77 116.66 114.69 3iuk n ARG 362 Ca 0.12 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.23 3iuk n ARG 362 Cb 0.45 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.84 3iuk n ARG 362 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3iuk s TRP 364 N -0.71 -0.15 -0.22 -1.55 0.52 0.75 -0.68 118.94 116.89 3iuk s TRP 364 Ca 0.00 0.26 -0.13 0.00 0.02 0.00 0.00 56.10 56.25 3iuk s TRP 364 Cb 0.00 0.09 -0.04 0.00 -1.15 0.00 0.00 33.47 32.36 3iuk s TRP 364 CO 0.00 -0.07 0.28 -0.46 0.02 0.00 0.00 176.95 176.71 3iuk s TRP 365 N 1.80 3.34 -0.20 -1.98 -0.11 -1.26 -1.38 118.94 119.14 3iuk s TRP 365 Ca -0.02 0.41 -0.21 0.00 1.22 0.00 0.00 56.10 57.49 3iuk s TRP 365 Cb -0.02 -2.40 -0.02 0.00 -1.50 0.00 0.00 33.47 29.53 3iuk s TRP 365 CO -0.15 0.02 0.66 -1.12 -4.62 0.00 0.00 176.95 171.74 3iuk s SER 366 N 1.09 6.71 -0.29 5.86 0.01 -1.07 -0.21 113.70 125.80 3iuk s SER 366 Ca 0.13 0.87 -0.13 0.00 1.31 0.00 0.00 55.95 58.13 3iuk s SER 366 Cb -0.14 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 3iuk s SER 366 CO 0.06 -0.31 0.28 -0.69 0.41 0.00 0.00 173.24 172.99 3iuk s VAL 367 N 2.07 5.24 0.54 3.43 1.01 -1.26 -4.43 120.40 127.00 3iuk s VAL 367 Ca 0.30 0.25 -0.20 0.00 0.00 0.00 0.00 61.98 62.32 3iuk s VAL 367 Cb -0.16 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 3iuk s VAL 367 CO 0.10 0.14 1.19 -2.84 0.00 0.00 0.00 175.10 173.69 3iuk s PRO 368 N 1.90 3.30 0.04 2.72 0.02 -1.26 -4.62 135.00 137.11 3iuk s PRO 368 Ca 0.10 1.79 -0.36 0.00 0.02 0.00 0.00 61.00 62.56 3iuk s PRO 368 Cb -0.16 -2.11 -0.15 0.00 0.02 0.00 0.00 34.50 32.10 3iuk s PRO 368 CO 0.11 -0.93 1.53 0.00 -0.33 0.00 0.00 177.00 177.38 3iuk n ALA 369 N -1.16 0.07 -0.31 -1.55 0.00 -1.26 -1.34 120.51 114.96 3iuk n ALA 369 Ca 0.11 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3iuk n ALA 369 Cb 0.49 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3iuk n ALA 369 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iuk n GLY 370 N 3.24 1.34 3.75 0.00 0.00 -1.26 -5.02 105.19 107.24 3iuk n GLY 370 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3iuk n GLY 370 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iuk s GLU 371 N -0.38 4.28 0.00 1.61 0.41 -0.45 -4.93 118.70 119.24 3iuk s GLU 371 Ca 0.00 0.55 0.00 0.00 -0.41 0.00 0.00 54.97 55.11 3iuk s GLU 371 Cb 0.00 -3.38 0.00 0.00 -1.78 0.00 0.00 34.13 28.97 3iuk s GLU 371 CO 0.00 0.29 0.47 -3.47 -0.49 0.00 0.00 175.26 172.05 3iuk n ASP 372 N 3.15 0.00 -4.23 -0.19 2.03 -1.26 -4.81 116.55 111.25 3iuk n ASP 372 Ca -0.08 -1.00 -0.24 0.00 0.52 0.00 0.00 54.79 53.99 3iuk n ASP 372 Cb 0.51 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.78 3iuk n ASP 372 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3iuk s THR 373 N 0.00 1.54 -0.03 5.18 2.01 -1.26 -0.96 115.64 122.11 3iuk s THR 373 Ca 0.00 -1.15 -0.01 0.00 0.31 0.00 0.00 61.69 60.84 3iuk s THR 373 Cb 0.00 -1.35 0.03 0.00 0.01 0.00 0.00 72.50 71.19 3iuk s THR 373 CO 0.00 0.17 0.04 -0.36 -0.69 0.00 0.00 174.62 173.78 3iuk s PHE 374 N -0.80 0.11 -0.16 4.92 0.08 0.06 -4.95 117.98 117.24 3iuk s PHE 374 Ca 0.06 0.16 -0.17 0.00 0.12 0.00 0.00 56.93 57.10 3iuk s PHE 374 Cb -0.09 -0.40 -0.04 0.00 -0.57 0.00 0.00 43.02 41.92 3iuk s PHE 374 CO 0.02 -0.15 0.43 0.99 -0.10 0.00 0.00 175.22 176.40 3iuk s THR 375 N 1.63 5.20 -0.18 0.64 2.01 -1.26 0.08 115.64 123.76 3iuk s THR 375 Ca -0.02 0.82 0.16 0.00 0.31 0.00 0.00 61.69 62.96 3iuk s THR 375 Cb -0.13 -3.77 -0.23 0.00 0.01 0.00 0.00 72.50 68.39 3iuk s THR 375 CO -0.03 0.29 0.41 0.35 -0.69 0.00 0.00 174.62 174.95 3iuk n THR 376 N 4.00 0.00 -0.36 -0.82 -2.24 -0.96 -4.55 114.28 109.35 3iuk n THR 376 Ca -0.08 -0.31 0.12 0.00 -2.27 0.00 0.00 64.05 61.50 3iuk n THR 376 Cb 0.51 0.33 0.30 0.00 -2.10 0.00 0.00 70.33 69.37 3iuk n THR 376 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 3iuk h TRP 377 N 0.00 1.09 0.00 4.78 5.08 -1.89 0.20 115.95 125.21 3iuk h TRP 377 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 3iuk h TRP 377 Cb 0.64 -0.33 0.00 0.00 -3.00 0.00 0.00 29.16 26.47 3iuk h TRP 377 CO 0.00 0.29 -0.21 -1.13 -1.28 0.00 0.00 178.44 176.12 3iuk n SER 378 N -4.73 0.53 -0.25 0.11 3.41 -1.26 -3.77 113.62 107.67 3iuk n SER 378 Ca 0.22 0.35 0.07 0.00 -0.26 0.00 0.00 58.87 59.25 3iuk n SER 378 Cb 0.52 -0.37 -0.02 0.00 -0.26 0.00 0.00 64.21 64.08 3iuk n SER 378 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3iuk n GLU 379 N -1.93 1.88 -0.14 4.33 -0.58 0.62 -4.42 120.64 120.40 3iuk n GLU 379 Ca 0.05 -0.56 -0.03 0.00 -0.42 0.00 0.00 57.16 56.20 3iuk n GLU 379 Cb 0.40 -1.23 0.05 0.00 -0.57 0.00 0.00 31.44 30.09 3iuk n GLU 379 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 3iuk h THR 380 N 1.22 0.77 -0.66 2.62 2.02 -1.41 -1.50 112.91 115.97 3iuk h THR 380 Ca 0.00 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 3iuk h THR 380 Cb 0.47 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 3iuk h THR 380 CO 0.00 0.05 0.33 0.00 0.37 0.00 0.00 175.52 176.27 3iuk h THR 381 N 0.25 1.21 -0.25 3.16 1.03 -1.82 -2.26 112.91 114.22 3iuk h THR 381 Ca 0.23 -0.57 -0.07 0.00 -0.01 0.00 0.00 66.41 65.99 3iuk h THR 381 Cb 0.28 0.35 -0.01 0.00 -1.07 0.00 0.00 68.15 67.69 3iuk h THR 381 CO -0.28 0.24 -0.15 0.74 -0.01 0.00 0.00 175.52 176.06 3iuk h THR 382 N 0.93 1.23 -0.61 0.00 2.02 -1.56 -0.97 112.91 113.94 3iuk h THR 382 Ca 0.23 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 3iuk h THR 382 Cb 0.07 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 3iuk h THR 382 CO -0.03 0.33 0.30 0.58 0.37 0.00 0.00 175.52 177.06 3iuk h VAL 383 N 0.40 1.20 0.03 3.16 2.07 -0.69 -0.01 116.25 122.41 3iuk h VAL 383 Ca 0.07 -0.56 -0.24 0.00 0.82 0.00 0.00 66.70 66.79 3iuk h VAL 383 Cb 0.50 0.42 0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3iuk h VAL 383 CO 0.03 0.24 -1.02 -0.26 0.02 0.00 0.00 177.57 176.58 3iuk h PHE 384 N 0.86 0.64 0.22 1.57 0.04 -1.38 -0.66 116.94 118.24 3iuk h PHE 384 Ca 0.21 -0.37 -0.01 0.00 2.80 0.00 0.00 57.97 60.60 3iuk h PHE 384 Cb 0.09 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.18 3iuk h PHE 384 CO 0.01 1.21 -0.11 1.25 -0.60 0.00 0.00 178.31 180.07 3iuk h HIS 385 N 0.22 -0.27 0.00 -0.55 -0.00 -0.94 -0.99 115.15 112.61 3iuk h HIS 385 Ca -0.10 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.24 3iuk h HIS 385 Cb 1.67 0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 29.17 3iuk h HIS 385 CO 0.07 0.00 -0.32 0.93 -0.00 0.00 0.00 177.93 178.61 3iuk h GLU 386 N -0.54 0.00 0.00 5.26 4.39 -1.09 -0.55 114.58 122.06 3iuk h GLU 386 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3iuk h GLU 386 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3iuk h GLU 386 CO 0.05 0.09 0.00 0.41 -1.16 0.00 0.00 179.01 178.40 3iuk n GLY 387 N 1.15 1.05 3.41 -3.84 0.00 -0.26 -3.64 105.19 103.06 3iuk n GLY 387 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3iuk n GLY 387 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iuk s VAL 388 N 2.25 3.32 -0.42 1.61 1.01 -1.23 -0.85 120.40 126.09 3iuk s VAL 388 Ca 0.00 -0.56 0.14 0.00 0.00 0.00 0.00 61.98 61.56 3iuk s VAL 388 Cb 0.00 -2.42 0.78 0.00 0.00 0.00 0.00 36.38 34.74 3iuk s VAL 388 CO 0.00 0.51 1.69 -0.81 0.00 0.00 0.00 175.10 176.49 3iuk n PRO 389 N 3.59 4.60 0.00 2.72 -0.04 -1.20 -4.34 135.00 140.33 3iuk n PRO 389 Ca -0.18 -3.00 0.00 0.00 -0.04 0.00 0.00 63.50 60.28 3iuk n PRO 389 Cb 0.53 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 3iuk n PRO 389 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iuk n GLY 390 N 0.69 0.66 0.32 0.55 0.00 -0.38 -4.40 105.19 102.63 3iuk n GLY 390 Ca 0.27 -0.02 0.16 0.00 0.00 0.00 0.00 46.02 46.42 3iuk n GLY 390 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3iuk h HIS 391 N 0.00 0.71 -0.36 1.61 3.86 -0.99 -2.18 115.15 117.81 3iuk h HIS 391 Ca 0.00 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3iuk h HIS 391 Cb 0.00 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 3iuk h HIS 391 CO 0.00 -0.08 0.18 1.25 0.86 0.00 0.00 177.93 180.14 3iuk h HIS 392 N 0.38 0.51 -0.40 2.45 -0.00 -1.06 0.16 115.15 117.19 3iuk h HIS 392 Ca 0.61 -0.02 -0.12 0.00 -0.00 0.00 0.00 60.37 60.83 3iuk h HIS 392 Cb 1.22 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 28.45 3iuk h HIS 392 CO -0.11 0.42 -0.25 -0.07 -0.00 0.00 0.00 177.93 177.92 3iuk h LEU 393 N 0.45 0.85 0.33 0.26 3.38 -1.51 0.17 115.31 119.24 3iuk h LEU 393 Ca 0.13 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3iuk h LEU 393 Cb 0.10 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3iuk h LEU 393 CO -0.02 1.05 -0.16 -0.61 0.09 0.00 0.00 178.44 178.80 3iuk h GLN 394 N 0.71 -0.43 -0.09 1.13 -0.00 -1.15 -1.44 115.11 113.84 3iuk h GLN 394 Ca 0.09 0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.76 3iuk h GLN 394 Cb 0.79 0.10 -0.00 0.00 0.00 0.00 0.00 27.48 28.36 3iuk h GLN 394 CO 0.07 -0.11 0.03 0.28 0.00 0.00 0.00 178.83 179.10 3iuk h VAL 395 N -0.90 1.15 -0.33 2.39 2.07 -0.71 -2.31 116.25 117.61 3iuk h VAL 395 Ca -0.05 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 3iuk h VAL 395 Cb 0.53 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3iuk h VAL 395 CO 0.08 0.13 -0.02 0.00 0.02 0.00 0.00 177.57 177.78 3iuk h ALA 396 N 0.87 1.35 -0.34 1.67 0.00 -0.74 -2.05 119.26 120.03 3iuk h ALA 396 Ca 0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3iuk h ALA 396 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3iuk h ALA 396 CO -0.00 0.44 0.02 1.15 0.00 0.00 0.00 179.25 180.86 3iuk h THR 397 N 0.50 1.25 -0.75 0.00 2.02 -1.17 0.97 112.91 115.73 3iuk h THR 397 Ca 0.11 -0.92 0.06 0.00 0.77 0.00 0.00 66.41 66.42 3iuk h THR 397 Cb 0.35 1.19 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 3iuk h THR 397 CO 0.01 0.30 0.45 0.00 0.37 0.00 0.00 175.52 176.65 3iuk h ALA 398 N 0.87 1.02 -0.43 6.16 0.00 -1.20 -1.34 119.26 124.34 3iuk h ALA 398 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3iuk h ALA 398 Cb 0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3iuk h ALA 398 CO 0.01 0.17 -0.06 1.15 0.00 0.00 0.00 179.25 180.52 3iuk h THR 399 N 0.83 1.27 -0.82 0.00 2.02 -1.12 -2.45 112.91 112.63 3iuk h THR 399 Ca 0.33 -1.14 0.09 0.00 0.77 0.00 0.00 66.41 66.46 3iuk h THR 399 Cb 0.16 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 3iuk h THR 399 CO -0.17 0.39 0.54 0.22 0.37 0.00 0.00 175.52 176.87 3iuk h TYR 400 N 0.64 0.84 -0.29 3.16 3.20 -0.49 -1.83 116.97 122.19 3iuk h TYR 400 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3iuk h TYR 400 Cb 0.58 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.58 3iuk h TYR 400 CO 0.05 0.39 0.00 0.54 -1.64 0.00 0.00 178.16 177.50 3iuk n ARG 401 N -4.51 1.96 0.22 1.82 5.12 -0.53 -4.59 116.66 116.15 3iuk n ARG 401 Ca 0.14 -1.17 0.07 0.00 -1.93 0.00 0.00 57.85 54.95 3iuk n ARG 401 Cb 0.32 -1.40 0.60 0.00 -1.16 0.00 0.00 32.46 30.82 3iuk n ARG 401 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 3iuk h ARG 402 N 1.78 0.08 0.00 5.56 0.11 -1.08 0.76 114.38 121.59 3iuk h ARG 402 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3iuk h ARG 402 Cb 0.60 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.67 3iuk h ARG 402 CO 0.05 0.07 0.00 0.39 0.10 0.00 0.00 179.97 180.58 3iuk n GLU 403 N -4.51 0.16 -0.36 0.08 1.02 -1.26 -1.54 120.64 114.22 3iuk n GLU 403 Ca -0.02 0.48 0.11 0.00 -0.02 0.00 0.00 57.16 57.72 3iuk n GLU 403 Cb 0.10 -1.86 0.31 0.00 -0.02 0.00 0.00 31.44 29.97 3iuk n GLU 403 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3iuk n LEU 404 N -2.17 3.81 -3.91 -4.62 4.77 0.26 -4.76 117.00 110.37 3iuk n LEU 404 Ca 0.01 -1.91 -0.26 0.00 -0.03 0.00 0.00 56.01 53.82 3iuk n LEU 404 Cb 0.15 -0.48 -0.17 0.00 -2.33 0.00 0.00 43.42 40.60 3iuk n LEU 404 CO 0.15 0.95 -0.44 -0.76 -1.33 0.00 0.00 177.39 175.96 3iuk s LEU 405 N -1.00 1.21 1.24 2.23 1.43 -0.59 -5.07 118.68 118.13 3iuk s LEU 405 Ca 0.48 -0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 53.12 3iuk s LEU 405 Cb 0.25 -0.81 0.31 0.00 0.03 0.00 0.00 46.19 45.96 3iuk s LEU 405 CO 0.32 -0.11 1.01 0.54 0.23 0.00 0.00 176.35 178.35 3iuk s ASN 406 N 1.59 0.40 0.35 2.29 2.20 -1.26 -4.69 114.94 115.82 3iuk s ASN 406 Ca 0.03 1.15 0.14 0.00 -0.94 0.00 0.00 52.86 53.23 3iuk s ASN 406 Cb -0.13 -1.73 0.64 0.00 -2.00 0.00 0.00 41.25 38.03 3iuk s ASN 406 CO -0.07 -4.51 1.76 0.78 -2.94 0.00 0.00 177.10 172.12 3iuk h ASN 407 N -2.83 0.00 -0.03 3.54 2.35 -1.88 -0.11 115.58 116.61 3iuk h ASN 407 Ca -0.54 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.21 3iuk h ASN 407 Cb 1.33 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.70 3iuk h ASN 407 CO 0.43 0.44 0.01 -0.25 -1.65 0.00 0.00 177.43 176.40 3iuk h TRP 408 N 0.00 0.05 -0.84 1.19 7.01 -1.92 -0.82 115.95 120.62 3iuk h TRP 408 Ca -0.00 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 3iuk h TRP 408 Cb 0.82 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.83 3iuk h TRP 408 CO 0.00 0.24 0.38 0.00 -2.79 0.00 0.00 178.44 176.28 3iuk h ARG 409 N -0.16 1.22 -0.04 2.65 2.47 -1.81 -0.63 114.38 118.07 3iuk h ARG 409 Ca 0.01 -0.19 -0.23 0.00 -1.26 0.00 0.00 59.98 58.31 3iuk h ARG 409 Cb 0.22 -0.21 0.02 0.00 -1.65 0.00 0.00 29.97 28.34 3iuk h ARG 409 CO -0.00 0.95 -0.88 0.00 0.56 0.00 0.00 179.97 180.59 3iuk h ARG 410 N 1.20 0.67 0.00 0.04 3.08 -0.97 -3.39 114.38 115.01 3iuk h ARG 410 Ca 0.29 -0.67 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3iuk h ARG 410 Cb 0.15 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3iuk h ARG 410 CO -0.03 1.26 -0.42 0.09 -1.07 0.00 0.00 179.97 179.80 3iuk n ASN 411 N -3.95 1.22 0.03 7.04 5.03 -0.32 -4.87 115.26 119.44 3iuk n ASN 411 Ca -0.10 -0.43 -0.01 0.00 0.87 0.00 0.00 54.58 54.91 3iuk n ASN 411 Cb 0.80 1.04 -0.00 0.00 -1.02 0.00 0.00 39.78 40.60 3iuk n ASN 411 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3iuk n VAL 412 N -1.22 1.16 -1.83 2.41 0.31 -0.46 -5.00 118.33 113.70 3iuk n VAL 412 Ca 0.00 0.35 -0.43 0.00 -0.01 0.00 0.00 64.34 64.26 3iuk n VAL 412 Cb 0.06 -1.62 -0.03 0.00 -0.91 0.00 0.00 33.84 31.34 3iuk n VAL 412 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iuk s TRP 414 N 5.83 -0.51 -0.15 0.00 -0.00 -1.26 -4.64 118.94 118.21 3iuk s TRP 414 Ca 0.85 1.11 0.00 0.00 -0.00 0.00 0.00 56.10 58.06 3iuk s TRP 414 Cb -0.33 0.18 0.02 0.00 -0.00 0.00 0.00 33.47 33.34 3iuk s TRP 414 CO 0.35 -0.31 -0.14 0.08 -0.00 0.00 0.00 176.95 176.93 3iuk s VAL 415 N 1.41 1.56 0.23 5.86 1.01 -1.26 -5.03 120.40 124.18 3iuk s VAL 415 Ca -0.09 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 3iuk s VAL 415 Cb -0.09 -1.46 0.25 0.00 0.00 0.00 0.00 36.38 35.08 3iuk s VAL 415 CO -0.11 0.46 1.64 -1.28 0.00 0.00 0.00 175.10 175.81 3iuk h SER 416 N 8.04 -0.37 0.03 3.32 0.87 -1.83 -1.06 113.55 122.55 3iuk h SER 416 Ca -0.38 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.36 3iuk h SER 416 Cb 1.14 0.34 -0.00 0.00 -0.44 0.00 0.00 62.40 63.43 3iuk h SER 416 CO 0.53 -0.17 -0.03 1.23 -0.53 0.00 0.00 176.83 177.86 3iuk h GLY 417 N 0.09 0.00 0.62 5.77 0.00 -0.01 -0.74 103.07 108.79 3iuk h GLY 417 Ca 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 3iuk h GLY 417 CO -0.63 0.00 -0.22 0.84 0.00 0.00 0.00 176.54 176.53 3iuk h HIS 418 N 0.00 -0.58 0.16 5.60 -0.00 -1.44 0.11 115.15 119.00 3iuk h HIS 418 Ca -0.00 -0.01 -0.31 0.00 -0.00 0.00 0.00 60.37 60.05 3iuk h HIS 418 Cb 0.05 0.19 0.03 0.00 -0.00 0.00 0.00 27.41 27.68 3iuk h HIS 418 CO 0.00 -0.26 -1.31 0.78 -0.00 0.00 0.00 177.93 177.13 3iuk h GLY 419 N -1.02 0.63 1.20 5.26 0.00 -1.36 -1.66 103.07 106.12 3iuk h GLY 419 Ca -0.06 -1.43 -0.24 0.00 0.00 0.00 0.00 47.33 45.60 3iuk h GLY 419 CO 0.11 1.25 -0.86 0.83 0.00 0.00 0.00 176.54 177.87 3iuk h GLU 420 N 0.22 0.77 -0.99 4.80 4.39 -1.28 -2.23 114.58 120.25 3iuk h GLU 420 Ca -0.20 -0.68 0.12 0.00 0.34 0.00 0.00 59.36 58.94 3iuk h GLU 420 Cb 2.00 0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 30.72 3iuk h GLU 420 CO 0.25 1.27 0.62 0.78 -1.16 0.00 0.00 179.01 180.77 3iuk h GLY 421 N 0.53 1.62 0.96 -3.84 0.00 -0.81 -2.24 103.07 99.29 3iuk h GLY 421 Ca -0.07 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 3iuk h GLY 421 CO 0.17 0.15 0.12 -0.25 0.00 0.00 0.00 176.54 176.74 3iuk h TRP 422 N 0.98 0.76 -0.53 5.60 2.91 -1.24 0.46 115.95 124.88 3iuk h TRP 422 Ca 0.49 -0.09 -0.05 0.00 1.13 0.00 0.00 58.89 60.37 3iuk h TRP 422 Cb 0.49 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 28.90 3iuk h TRP 422 CO -0.01 0.69 0.11 0.00 -1.03 0.00 0.00 178.44 178.20 3iuk h ALA 423 N 0.98 1.21 -0.48 2.65 0.00 -0.87 0.15 119.26 122.90 3iuk h ALA 423 Ca 0.14 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3iuk h ALA 423 Cb 0.31 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3iuk h ALA 423 CO -0.00 0.54 0.11 -0.07 0.00 0.00 0.00 179.25 179.83 3iuk h LEU 424 N 0.78 0.73 -0.76 0.00 4.07 -1.30 -1.70 115.31 117.13 3iuk h LEU 424 Ca 0.17 -0.23 0.10 0.00 0.08 0.00 0.00 57.88 57.99 3iuk h LEU 424 Cb 0.31 -0.19 -0.07 0.00 1.08 0.00 0.00 40.66 41.79 3iuk h LEU 424 CO 0.00 0.77 0.40 0.22 -1.08 0.00 0.00 178.44 178.76 3iuk h TYR 425 N 0.65 0.72 -0.56 1.13 3.20 -0.30 -0.73 116.97 121.07 3iuk h TYR 425 Ca 0.15 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3iuk h TYR 425 Cb 0.33 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 3iuk h TYR 425 CO 0.02 0.27 0.30 0.00 -1.64 0.00 0.00 178.16 177.12 3iuk h ALA 426 N 1.44 0.72 -0.44 1.82 0.00 -0.54 0.19 119.26 122.46 3iuk h ALA 426 Ca 0.37 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3iuk h ALA 426 Cb 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3iuk h ALA 426 CO -0.26 0.25 0.11 0.93 0.00 0.00 0.00 179.25 180.28 3iuk h GLU 427 N 0.76 0.71 -0.82 0.00 5.08 -0.79 -2.58 114.58 116.93 3iuk h GLU 427 Ca 0.20 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3iuk h GLU 427 Cb 0.06 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 3iuk h GLU 427 CO -0.03 0.71 0.50 0.37 -1.00 0.00 0.00 179.01 179.56 3iuk h GLN 428 N 0.58 1.10 -1.17 2.33 5.75 -0.85 -1.58 115.11 121.28 3iuk h GLN 428 Ca 0.14 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 3iuk h GLN 428 Cb 0.32 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 28.63 3iuk h GLN 428 CO 0.00 0.76 0.00 -0.11 -2.65 0.00 0.00 178.83 176.83 3iuk n LEU 429 N -4.38 0.35 0.00 -2.39 7.94 0.63 -1.40 117.00 117.75 3iuk n LEU 429 Ca 0.09 -0.18 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 3iuk n LEU 429 Cb 0.06 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 43.93 3iuk n LEU 429 CO 0.37 0.06 0.00 -0.11 -1.11 0.00 0.00 177.39 176.61 3iuk n LEU 431 N 0.72 0.00 0.23 -1.96 7.94 -0.59 -0.84 117.00 122.50 3iuk n LEU 431 Ca 0.00 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 54.99 3iuk n LEU 431 Cb 0.06 0.00 0.56 0.00 0.53 0.00 0.00 43.42 44.58 3iuk n LEU 431 CO 0.00 0.00 0.88 -0.33 -1.11 0.00 0.00 177.39 176.83 3iuk h GLU 432 N 0.00 0.00 -0.01 1.96 5.08 -1.51 -2.47 114.58 117.63 3iuk h GLU 432 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iuk h GLU 432 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3iuk h GLU 432 CO 0.00 0.21 -0.01 1.28 -1.00 0.00 0.00 179.01 179.49 3iuk n LEU 433 N -3.83 1.11 0.00 1.33 4.77 -0.02 -4.94 117.00 115.42 3iuk n LEU 433 Ca -0.02 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 3iuk n LEU 433 Cb 0.31 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3iuk n LEU 433 CO 0.34 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3iuk n GLY 434 N 1.15 0.76 0.07 -0.72 0.00 -0.93 -4.96 105.19 100.56 3iuk n GLY 434 Ca 0.20 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.16 3iuk n GLY 434 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3iuk n TYR 435 N -2.43 0.52 -2.03 1.61 4.01 -1.26 -3.87 117.16 113.70 3iuk n TYR 435 Ca 0.00 0.18 -0.25 0.00 -0.16 0.00 0.00 57.90 57.67 3iuk n TYR 435 Cb 0.00 -0.79 0.02 0.00 -0.31 0.00 0.00 39.34 38.26 3iuk n TYR 435 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3iuk n LEU 436 N -1.95 5.12 0.08 7.72 4.77 -1.26 -4.73 117.00 126.74 3iuk n LEU 436 Ca 0.04 -4.78 -0.09 0.00 -0.03 0.00 0.00 56.01 51.15 3iuk n LEU 436 Cb 0.28 -0.41 -0.10 0.00 -2.33 0.00 0.00 43.42 40.86 3iuk n LEU 436 CO 0.22 2.08 0.12 0.11 -1.33 0.00 0.00 177.39 178.59 3iuk h LYS 437 N 2.23 0.08 -6.43 3.23 1.57 -1.93 -3.29 116.57 112.02 3iuk h LYS 437 Ca 0.38 -0.13 -0.58 0.00 -1.87 0.00 0.00 60.65 58.45 3iuk h LYS 437 Cb 1.39 0.05 0.04 0.00 0.08 0.00 0.00 32.23 33.79 3iuk h LYS 437 CO 0.84 1.03 0.97 -3.47 -0.57 0.00 0.00 179.45 178.25 3iuk n ASP 438 N -3.44 3.44 0.10 0.86 2.03 -1.26 -4.85 116.55 113.43 3iuk n ASP 438 Ca -0.02 1.02 0.08 0.00 0.52 0.00 0.00 54.79 56.39 3iuk n ASP 438 Cb 0.93 -1.44 0.55 0.00 -0.72 0.00 0.00 41.12 40.45 3iuk n ASP 438 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3iuk h PRO 439 N 7.62 0.23 0.03 -0.67 0.11 -1.94 -0.45 132.00 136.93 3iuk h PRO 439 Ca -0.46 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3iuk h PRO 439 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3iuk h PRO 439 CO 0.92 0.15 -0.01 0.78 -0.21 0.00 0.00 178.00 179.63 3iuk h GLY 440 N 0.24 -0.04 1.02 -0.55 0.00 -1.92 -3.01 103.07 98.81 3iuk h GLY 440 Ca 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 3iuk h GLY 440 CO -0.02 -0.01 0.53 -0.55 0.00 0.00 0.00 176.54 176.49 3iuk h ASP 441 N -0.21 1.07 0.00 0.19 3.32 -1.45 -1.53 116.42 117.81 3iuk h ASP 441 Ca -0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3iuk h ASP 441 Cb 0.20 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3iuk h ASP 441 CO 0.01 0.83 0.00 1.57 -1.72 0.00 0.00 179.24 179.92 3iuk n HIS 442 N -4.40 0.00 -0.82 4.55 -0.00 -0.27 -4.66 115.22 109.63 3iuk n HIS 442 Ca 0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.28 3iuk n HIS 442 Cb 0.06 -0.02 0.00 0.00 -0.12 0.00 0.00 29.99 29.91 3iuk n HIS 442 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3iuk n GLY 444 N 0.59 -0.09 0.10 1.57 0.00 -0.58 -4.64 105.19 102.14 3iuk n GLY 444 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3iuk n GLY 444 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iuk n LEU 446 N -0.68 0.00 -0.08 0.99 4.77 -1.26 -2.53 117.00 118.21 3iuk n LEU 446 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3iuk n LEU 446 Cb 0.09 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3iuk n LEU 446 CO 0.00 0.00 0.88 0.44 -1.33 0.00 0.00 177.39 177.38 3iuk h ASP 447 N 0.00 -0.05 -0.34 -1.43 3.32 -1.96 0.48 116.42 116.43 3iuk h ASP 447 Ca 0.00 0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.98 3iuk h ASP 447 Cb 0.00 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3iuk h ASP 447 CO 0.00 0.01 -0.25 1.23 -1.72 0.00 0.00 179.24 178.51 3iuk h GLY 448 N 0.12 0.92 1.06 2.75 0.00 -1.89 -2.94 103.07 103.10 3iuk h GLY 448 Ca 0.14 -0.82 -0.08 0.00 0.00 0.00 0.00 47.33 46.56 3iuk h GLY 448 CO -0.20 0.75 0.04 1.46 0.00 0.00 0.00 176.54 178.59 3iuk h GLN 449 N 0.73 1.03 -1.04 4.80 1.08 -1.72 -1.88 115.11 118.10 3iuk h GLN 449 Ca 0.09 -0.31 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 3iuk h GLN 449 Cb 0.79 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 3iuk h GLN 449 CO 0.07 0.99 0.00 -2.13 -0.95 0.00 0.00 178.83 176.81 3iuk n ARG 450 N -4.24 0.20 0.00 1.46 0.63 0.16 0.16 116.66 115.03 3iuk n ARG 450 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 3iuk n ARG 450 Cb 0.32 -1.26 0.00 0.00 0.45 0.00 0.00 32.46 31.97 3iuk n ARG 450 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3iuk n ARG 452 N 0.66 0.00 -0.17 -0.14 1.74 -0.71 -1.01 116.66 117.04 3iuk n ARG 452 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 3iuk n ARG 452 Cb 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.52 3iuk n ARG 452 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iuk h ALA 453 N 0.00 0.70 -0.90 7.54 0.00 -0.54 -2.93 119.26 123.12 3iuk h ALA 453 Ca 0.00 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 54.60 3iuk h ALA 453 Cb 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 3iuk h ALA 453 CO 0.00 0.66 0.59 0.00 0.00 0.00 0.00 179.25 180.50 3iuk h ALA 454 N 0.89 1.52 -0.93 0.00 0.00 -1.31 -2.05 119.26 117.37 3iuk h ALA 454 Ca 0.12 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3iuk h ALA 454 Cb 0.75 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3iuk h ALA 454 CO 0.06 0.34 0.61 0.00 0.00 0.00 0.00 179.25 180.26 3iuk h ARG 455 N 1.02 1.13 0.06 0.00 3.08 -1.78 0.11 114.38 118.00 3iuk h ARG 455 Ca 0.39 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.37 3iuk h ARG 455 Cb 0.21 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3iuk h ARG 455 CO -0.15 0.75 -0.03 0.28 -1.07 0.00 0.00 179.97 179.75 3iuk h VAL 456 N 1.16 1.05 0.06 2.04 2.07 -1.33 -0.51 116.25 120.80 3iuk h VAL 456 Ca 0.37 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3iuk h VAL 456 Cb 0.03 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3iuk h VAL 456 CO -0.12 0.09 -0.03 0.58 0.02 0.00 0.00 177.57 178.11 3iuk h VAL 457 N -0.23 1.06 0.12 2.57 2.07 -1.18 -2.82 116.25 117.84 3iuk h VAL 457 Ca -0.01 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3iuk h VAL 457 Cb 0.21 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3iuk h VAL 457 CO 0.01 0.10 -0.09 0.15 0.02 0.00 0.00 177.57 177.76 3iuk h PHE 458 N -0.26 -0.23 0.04 1.57 3.57 -0.79 -0.26 116.94 120.57 3iuk h PHE 458 Ca -0.01 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3iuk h PHE 458 Cb 0.23 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3iuk h PHE 458 CO -0.01 -0.14 -0.02 0.22 -2.23 0.00 0.00 178.31 176.12 3iuk h ASP 459 N -0.21 -0.05 -0.17 0.41 3.58 -1.05 0.31 116.42 119.24 3iuk h ASP 459 Ca -0.00 -0.28 -0.08 0.00 0.42 0.00 0.00 57.03 57.09 3iuk h ASP 459 Cb 0.19 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.25 3iuk h ASP 459 CO -0.01 0.26 -0.20 0.40 -2.88 0.00 0.00 179.24 176.81 3iuk h ILE 460 N -0.35 1.34 -0.35 2.25 2.04 -1.60 -2.36 117.51 118.48 3iuk h ILE 460 Ca -0.01 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.46 3iuk h ILE 460 Cb 0.32 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 3iuk h ILE 460 CO 0.01 0.42 0.20 1.23 0.00 0.00 0.00 178.15 180.01 3iuk h GLY 461 N 0.09 0.52 0.65 5.37 0.00 -0.95 -1.53 103.07 107.22 3iuk h GLY 461 Ca 0.02 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 3iuk h GLY 461 CO 0.05 0.22 -0.29 -2.08 0.00 0.00 0.00 176.54 174.44 3iuk h VAL 462 N 0.45 1.44 0.00 4.60 2.07 -1.01 0.12 116.25 123.91 3iuk h VAL 462 Ca 0.12 -1.71 -0.08 0.00 0.82 0.00 0.00 66.70 65.86 3iuk h VAL 462 Cb 0.04 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 3iuk h VAL 462 CO -0.02 0.49 -0.36 0.45 0.02 0.00 0.00 177.57 178.15 3iuk h HIS 463 N -0.21 0.00 -0.03 1.57 -0.00 -1.41 -2.75 115.15 112.32 3iuk h HIS 463 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 3iuk h HIS 463 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.35 3iuk h HIS 463 CO 0.13 0.36 -0.05 1.28 -0.00 0.00 0.00 177.93 179.65 3iuk n LEU 464 N -3.70 2.83 -3.65 2.43 4.32 -0.58 -1.70 117.00 116.95 3iuk n LEU 464 Ca -0.01 -0.97 -0.21 0.00 -0.02 0.00 0.00 56.01 54.80 3iuk n LEU 464 Cb 0.45 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.29 3iuk n LEU 464 CO 0.37 0.48 -0.04 -0.62 -1.22 0.00 0.00 177.39 176.35 3iuk n GLU 465 N 1.15 -4.76 -2.11 3.23 1.02 -0.12 -4.96 120.64 114.09 3iuk n GLU 465 Ca 0.13 0.65 -0.29 0.00 -0.02 0.00 0.00 57.16 57.63 3iuk n GLU 465 Cb 0.57 -5.23 0.04 0.00 -0.02 0.00 0.00 31.44 26.79 3iuk n GLU 465 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3iuk s LEU 466 N -6.56 3.07 0.21 -4.62 1.43 -0.34 -4.50 118.68 107.37 3iuk s LEU 466 Ca 0.05 0.97 -0.32 0.00 -1.03 0.00 0.00 54.13 53.80 3iuk s LEU 466 Cb -0.01 -3.80 -0.12 0.00 0.03 0.00 0.00 46.19 42.29 3iuk s LEU 466 CO 0.80 -1.18 1.68 -2.65 0.23 0.00 0.00 176.35 175.23 3iuk n PRO 467 N -2.80 2.66 -2.34 1.29 -0.02 -1.26 -1.16 135.00 131.37 3iuk n PRO 467 Ca 0.06 0.96 -0.41 0.00 -2.02 0.00 0.00 63.50 62.09 3iuk n PRO 467 Cb 0.57 -2.78 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 3iuk n PRO 467 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3iuk s VAL 468 N 1.00 3.33 0.47 -1.45 1.01 0.16 -4.85 120.40 120.06 3iuk s VAL 468 Ca 0.75 1.22 -0.23 0.00 0.00 0.00 0.00 61.98 63.72 3iuk s VAL 468 Cb -0.54 -3.78 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 3iuk s VAL 468 CO 0.35 0.25 1.19 -2.84 0.00 0.00 0.00 175.10 174.05 3iuk s PRO 469 N -0.95 3.70 0.54 2.72 0.02 -1.26 -4.62 135.00 135.15 3iuk s PRO 469 Ca 0.50 1.84 0.24 0.00 0.02 0.00 0.00 61.00 63.60 3iuk s PRO 469 Cb -0.34 -2.41 1.52 0.00 0.02 0.00 0.00 34.50 33.28 3iuk s PRO 469 CO 0.42 -0.62 2.16 1.05 -0.33 0.00 0.00 177.00 179.68 3iuk h GLU 470 N 2.02 0.00 0.00 5.54 4.11 -1.95 0.38 114.58 124.68 3iuk h GLU 470 Ca -0.49 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.93 3iuk h GLU 470 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 3iuk h GLU 470 CO 0.60 0.05 -0.00 -0.09 0.07 0.00 0.00 179.01 179.64 3iuk h ARG 471 N 0.00 0.00 -0.00 1.06 2.43 -2.04 -3.24 114.38 112.59 3iuk h ARG 471 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3iuk h ARG 471 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3iuk h ARG 471 CO 0.01 0.00 -0.46 0.91 -1.51 0.00 0.00 179.97 178.92 3iuk n TRP 472 N -4.53 0.00 -3.77 2.20 7.02 0.06 -5.10 117.44 113.32 3iuk n TRP 472 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 3iuk n TRP 472 Cb 0.09 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.98 3iuk n TRP 472 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3iuk n GLY 473 N 1.20 -0.50 3.18 6.99 0.00 -0.84 -4.88 105.19 110.35 3iuk n GLY 473 Ca 0.02 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 3iuk n GLY 473 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iuk s THR 474 N -3.04 0.03 0.00 2.61 -4.23 -1.26 -3.96 115.64 105.79 3iuk s THR 474 Ca 0.00 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 3iuk s THR 474 Cb 0.00 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.48 3iuk s THR 474 CO 0.00 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 3iuk n GLY 475 N -0.21 -0.06 3.79 3.99 0.00 -1.26 -4.66 105.19 106.78 3iuk n GLY 475 Ca -0.00 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 3iuk n GLY 475 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iuk s THR 476 N 0.00 3.82 0.37 2.61 -4.23 -1.26 -0.67 115.64 116.29 3iuk s THR 476 Ca 0.00 -1.52 -0.27 0.00 -1.18 0.00 0.00 61.69 58.72 3iuk s THR 476 Cb 0.00 -3.19 -0.09 0.00 1.34 0.00 0.00 72.50 70.56 3iuk s THR 476 CO 0.00 -0.28 1.28 0.26 -0.54 0.00 0.00 174.62 175.34 3iuk s TRP 477 N -2.26 2.96 0.15 3.99 0.52 -0.31 -4.78 118.94 119.22 3iuk s TRP 477 Ca 0.36 1.44 0.04 0.00 0.02 0.00 0.00 56.10 57.96 3iuk s TRP 477 Cb -0.06 -3.63 -0.04 0.00 -1.15 0.00 0.00 33.47 28.58 3iuk s TRP 477 CO 0.24 -1.86 -0.09 0.95 0.02 0.00 0.00 176.95 176.21 3iuk s THR 478 N -1.23 1.14 0.25 2.01 -4.23 -1.26 -4.73 115.64 107.59 3iuk s THR 478 Ca 0.54 -2.06 -0.04 0.00 -1.18 0.00 0.00 61.69 58.95 3iuk s THR 478 Cb -0.38 -1.88 0.24 0.00 1.34 0.00 0.00 72.50 71.83 3iuk s THR 478 CO 0.49 -0.72 1.86 -0.65 -0.54 0.00 0.00 174.62 175.06 3iuk h PRO 479 N 2.77 1.01 -0.62 3.99 0.11 -1.96 -0.28 132.00 137.02 3iuk h PRO 479 Ca -0.37 -0.06 0.09 0.00 0.11 0.00 0.00 66.00 65.77 3iuk h PRO 479 Cb 1.19 -0.23 -0.07 0.00 0.11 0.00 0.00 31.00 32.00 3iuk h PRO 479 CO 0.64 0.67 0.26 1.49 -0.21 0.00 0.00 178.00 180.84 3iuk h GLU 480 N 1.04 0.44 -0.37 1.05 4.81 -2.00 0.18 114.58 119.73 3iuk h GLU 480 Ca 0.40 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.51 3iuk h GLU 480 Cb 0.18 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3iuk h GLU 480 CO -0.18 0.29 -0.14 0.87 -0.73 0.00 0.00 179.01 179.12 3iuk h LYS 481 N 0.46 0.66 -0.62 1.92 1.57 -1.85 -2.86 116.57 115.86 3iuk h LYS 481 Ca 0.31 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 3iuk h LYS 481 Cb 0.35 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3iuk h LYS 481 CO -0.28 0.78 0.06 0.78 -0.57 0.00 0.00 179.45 180.22 3iuk h GLY 482 N 0.97 1.11 0.96 3.86 0.00 0.11 -2.35 103.07 107.74 3iuk h GLY 482 Ca 0.10 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.68 3iuk h GLY 482 CO 0.04 0.70 0.03 -2.75 0.00 0.00 0.00 176.54 174.56 3iuk h PHE 483 N 0.96 0.06 -0.82 5.60 3.57 -0.79 -0.60 116.94 124.93 3iuk h PHE 483 Ca 0.19 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.73 3iuk h PHE 483 Cb 0.47 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 3iuk h PHE 483 CO 0.03 0.03 0.54 -0.44 -2.23 0.00 0.00 178.31 176.24 3iuk h ASP 484 N 0.07 0.85 -0.51 0.41 3.32 -1.44 -1.11 116.42 118.02 3iuk h ASP 484 Ca 0.03 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3iuk h ASP 484 Cb 0.01 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3iuk h ASP 484 CO -0.02 0.58 0.20 0.15 -1.72 0.00 0.00 179.24 178.42 3iuk h PHE 485 N 0.99 0.78 -0.49 4.55 3.57 -0.96 -1.46 116.94 123.91 3iuk h PHE 485 Ca 0.33 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.68 3iuk h PHE 485 Cb 0.07 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 3iuk h PHE 485 CO -0.00 0.65 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.63 3iuk h LEU 486 N 0.68 0.88 -1.35 0.59 3.38 -0.57 -2.55 115.31 116.37 3iuk h LEU 486 Ca 0.17 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.88 3iuk h LEU 486 Cb 0.21 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 3iuk h LEU 486 CO -0.01 0.99 0.50 0.50 0.09 0.00 0.00 178.44 180.50 3iuk h LYS 487 N 0.74 0.76 0.00 1.13 3.64 -0.90 0.73 116.57 122.66 3iuk h LYS 487 Ca 0.13 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 3iuk h LYS 487 Cb 0.56 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3iuk h LYS 487 CO 0.03 0.50 -0.27 0.00 -2.27 0.00 0.00 179.45 177.44 3iuk h ALA 488 N 1.59 1.01 0.00 5.00 0.00 -0.88 -3.37 119.26 122.62 3iuk h ALA 488 Ca 0.33 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3iuk h ALA 488 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3iuk h ALA 488 CO -0.11 0.34 -0.41 0.09 0.00 0.00 0.00 179.25 179.16 3iuk n ASN 489 N -3.44 0.84 -4.31 0.00 3.02 -0.58 -4.94 115.26 105.84 3iuk n ASN 489 Ca 0.00 -0.52 -0.36 0.00 -0.03 0.00 0.00 54.58 53.67 3iuk n ASN 489 Cb 0.46 1.04 -0.13 0.00 -0.61 0.00 0.00 39.78 40.53 3iuk n ASN 489 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3iuk s LEU 490 N -2.43 3.45 -1.23 3.41 1.02 0.15 -4.94 118.68 118.10 3iuk s LEU 490 Ca 0.01 -0.63 -0.16 0.00 0.02 0.00 0.00 54.13 53.37 3iuk s LEU 490 Cb 0.04 -1.80 0.12 0.00 0.02 0.00 0.00 46.19 44.56 3iuk s LEU 490 CO 0.21 -0.12 1.56 -1.81 0.02 0.00 0.00 176.35 176.21 3iuk s ASP 491 N 1.47 6.93 0.21 2.29 -0.00 -1.26 -4.79 116.67 121.50 3iuk s ASP 491 Ca 0.03 -2.64 -0.04 0.00 -0.00 0.00 0.00 52.55 49.89 3iuk s ASP 491 Cb -0.16 -2.49 -0.03 0.00 -0.00 0.00 0.00 42.92 40.24 3iuk s ASP 491 CO -0.00 -0.98 0.22 0.27 -0.00 0.00 0.00 175.17 174.67 3iuk s ILE 492 N 2.96 0.01 0.83 0.77 -4.36 -1.26 -5.14 121.20 115.00 3iuk s ILE 492 Ca 0.47 -1.83 -0.12 0.00 -0.26 0.00 0.00 60.65 58.92 3iuk s ILE 492 Cb 0.00 -2.38 0.10 0.00 1.25 0.00 0.00 42.46 41.43 3iuk s ILE 492 CO 0.03 -0.04 1.15 -0.94 0.24 0.00 0.00 174.94 175.38 3iuk s SER 493 N -3.11 3.64 0.20 4.36 1.04 -1.26 -4.74 113.70 113.83 3iuk s SER 493 Ca 0.33 2.16 -0.13 0.00 0.48 0.00 0.00 55.95 58.79 3iuk s SER 493 Cb 0.05 -2.56 0.23 0.00 0.10 0.00 0.00 66.02 63.83 3iuk s SER 493 CO 0.10 -2.62 1.66 -0.08 0.98 0.00 0.00 173.24 173.28 3iuk h GLU 494 N -1.25 0.07 -0.37 4.02 4.81 -1.99 0.16 114.58 120.03 3iuk h GLU 494 Ca -0.44 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.66 3iuk h GLU 494 Cb 1.27 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 3iuk h GLU 494 CO 0.46 0.05 -0.24 0.78 -0.73 0.00 0.00 179.01 179.33 3iuk h GLY 495 N 0.08 0.90 1.35 1.92 0.00 -1.99 -0.99 103.07 104.33 3iuk h GLY 495 Ca 0.28 -0.84 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 3iuk h GLY 495 CO -0.50 0.77 -0.07 1.46 0.00 0.00 0.00 176.54 178.20 3iuk h GLN 496 N 0.62 0.78 -0.19 4.80 1.08 -1.89 -1.23 115.11 119.09 3iuk h GLN 496 Ca 0.08 -0.24 0.02 0.00 -1.45 0.00 0.00 58.65 57.05 3iuk h GLN 496 Cb 0.81 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.14 3iuk h GLN 496 CO 0.07 0.83 0.07 1.25 -0.95 0.00 0.00 178.83 180.10 3iuk h LEU 497 N 0.71 0.09 -0.78 1.46 6.46 -0.42 0.07 115.31 122.91 3iuk h LEU 497 Ca 0.13 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.86 3iuk h LEU 497 Cb 0.53 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 3iuk h LEU 497 CO 0.03 0.08 0.31 -0.61 -0.62 0.00 0.00 178.44 177.63 3iuk h GLN 498 N 0.17 1.16 -0.41 1.25 5.75 -0.91 -1.21 115.11 120.90 3iuk h GLN 498 Ca 0.08 -0.21 0.01 0.00 -0.15 0.00 0.00 58.65 58.38 3iuk h GLN 498 Cb 0.04 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 3iuk h GLN 498 CO -0.07 0.94 0.27 0.35 -2.65 0.00 0.00 178.83 177.67 3iuk h PHE 499 N 1.13 0.51 -0.43 3.99 3.57 -0.93 -1.97 116.94 122.80 3iuk h PHE 499 Ca 0.26 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 3iuk h PHE 499 Cb 0.21 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3iuk h PHE 499 CO 0.02 0.31 0.15 0.93 -2.23 0.00 0.00 178.31 177.49 3iuk h GLU 500 N 0.55 0.66 0.02 1.11 4.39 -0.74 0.03 114.58 120.60 3iuk h GLU 500 Ca 0.16 -0.13 0.03 0.00 0.34 0.00 0.00 59.36 59.75 3iuk h GLU 500 Cb -0.05 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.45 3iuk h GLU 500 CO -0.04 0.63 -0.37 0.35 -1.16 0.00 0.00 179.01 178.42 3iuk h PHE 501 N 0.55 -1.04 -0.76 4.33 3.57 -1.10 -0.82 116.94 121.68 3iuk h PHE 501 Ca 0.14 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.72 3iuk h PHE 501 Cb 0.24 0.45 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 3iuk h PHE 501 CO 0.01 -0.46 0.46 1.15 -2.23 0.00 0.00 178.31 177.24 3iuk h THR 502 N -0.54 1.05 -0.12 4.41 2.02 -1.22 -2.37 112.91 116.14 3iuk h THR 502 Ca 0.05 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 66.95 3iuk h THR 502 Cb 0.61 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3iuk h THR 502 CO -0.28 0.16 0.03 -0.09 0.37 0.00 0.00 175.52 175.70 3iuk h ARG 503 N 0.88 0.08 -0.74 6.66 2.43 -0.45 -1.13 114.38 122.11 3iuk h ARG 503 Ca 0.32 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.43 3iuk h ARG 503 Cb 0.10 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3iuk h ARG 503 CO -0.15 0.05 0.23 1.88 -1.51 0.00 0.00 179.97 180.48 3iuk h TYR 504 N 0.08 1.18 -0.75 2.20 0.05 -0.87 0.26 116.97 119.12 3iuk h TYR 504 Ca 0.05 -0.12 -0.05 0.00 0.05 0.00 0.00 58.73 58.67 3iuk h TYR 504 Cb 0.04 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.41 3iuk h TYR 504 CO -0.12 0.93 0.27 -0.07 -1.05 0.00 0.00 178.16 178.13 3iuk h LEU 505 N 1.10 1.06 0.00 3.88 3.38 -1.27 -3.24 115.31 120.22 3iuk h LEU 505 Ca 0.24 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3iuk h LEU 505 Cb 0.30 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3iuk h LEU 505 CO -0.01 0.96 -0.97 0.61 0.09 0.00 0.00 178.44 179.12 3iuk n GLY 506 N -0.82 -1.28 2.80 0.83 0.00 -0.44 -4.42 105.19 101.86 3iuk n GLY 506 Ca 0.06 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 3iuk n GLY 506 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3iuk n TRP 507 N -2.09 3.57 -1.92 1.61 -0.00 0.87 -4.70 117.44 114.78 3iuk n TRP 507 Ca 0.02 -3.99 -0.37 0.00 -0.00 0.00 0.00 57.50 53.15 3iuk n TRP 507 Cb 0.46 -0.49 0.03 0.00 -0.00 0.00 0.00 31.31 31.31 3iuk n TRP 507 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 3iuk s PRO 508 N -3.25 3.12 0.00 5.87 0.04 -1.24 -3.11 135.00 136.42 3iuk s PRO 508 Ca 0.47 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.54 3iuk s PRO 508 Cb 0.27 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.68 3iuk s PRO 508 CO -0.12 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.19 3iuk n GLY 509 N 0.65 3.18 0.12 0.56 0.00 -1.26 -4.52 105.19 103.92 3iuk n GLY 509 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 3iuk n GLY 509 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3iuk h GLN 510 N 1.38 0.37 -0.45 1.61 -0.00 -1.83 -3.37 115.11 112.82 3iuk h GLN 510 Ca 0.00 -0.63 -0.07 0.00 -0.00 0.00 0.00 58.65 57.95 3iuk h GLN 510 Cb 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 27.48 27.69 3iuk h GLN 510 CO 0.00 1.30 -0.02 0.00 0.00 0.00 0.00 178.83 180.11 3iuk h ALA 511 N 0.43 1.14 0.00 3.38 0.00 -1.90 -1.43 119.26 120.88 3iuk h ALA 511 Ca -0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3iuk h ALA 511 Cb 2.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.65 3iuk h ALA 511 CO 0.23 0.55 0.00 -2.30 0.00 0.00 0.00 179.25 177.73 3iuk n PRO 512 N -4.22 0.22 0.27 0.00 -0.02 -1.26 -4.00 135.00 125.99 3iuk n PRO 512 Ca 0.02 0.07 0.11 0.00 -2.02 0.00 0.00 63.50 61.68 3iuk n PRO 512 Cb 0.30 -1.50 0.73 0.00 -0.02 0.00 0.00 33.50 33.01 3iuk n PRO 512 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3iuk h SER 513 N 0.00 0.00 0.41 2.55 4.64 -1.41 0.06 113.55 119.80 3iuk h SER 513 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3iuk h SER 513 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3iuk h SER 513 CO 0.00 0.02 -0.20 1.88 -0.87 0.00 0.00 176.83 177.66 3iuk h TYR 514 N 0.00 -0.51 -0.16 4.77 0.05 -1.76 -0.57 116.97 118.79 3iuk h TYR 514 Ca -0.00 -0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.62 3iuk h TYR 514 Cb 0.05 0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 3iuk h TYR 514 CO 0.00 -0.32 -0.53 0.87 -1.05 0.00 0.00 178.16 177.13 3iuk h LYS 515 N -0.71 0.45 -0.29 4.88 1.79 -1.78 -1.38 116.57 119.52 3iuk h LYS 515 Ca -0.06 -0.28 -0.16 0.00 -2.18 0.00 0.00 60.65 57.98 3iuk h LYS 515 Cb 0.42 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 3iuk h LYS 515 CO 0.09 0.87 -0.46 0.28 -1.08 0.00 0.00 179.45 179.15 3iuk h VAL 516 N 0.35 1.29 -0.46 0.50 2.07 -1.10 -1.15 116.25 117.75 3iuk h VAL 516 Ca 0.01 -1.65 0.02 0.00 0.82 0.00 0.00 66.70 65.90 3iuk h VAL 516 Cb 1.05 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 3iuk h VAL 516 CO 0.09 0.54 0.26 1.23 0.02 0.00 0.00 177.57 179.71 3iuk h GLY 517 N 0.87 0.64 0.39 2.17 0.00 -0.92 -1.48 103.07 104.74 3iuk h GLY 517 Ca 0.04 -0.19 0.07 0.00 0.00 0.00 0.00 47.33 47.25 3iuk h GLY 517 CO 0.10 0.16 0.05 -1.61 0.00 0.00 0.00 176.54 175.24 3iuk h GLN 518 N 0.53 0.17 -0.58 4.80 4.15 -1.07 -1.00 115.11 122.11 3iuk h GLN 518 Ca 0.19 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.67 3iuk h GLN 518 Cb 0.03 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.63 3iuk h GLN 518 CO -0.10 0.11 0.26 -0.09 -1.93 0.00 0.00 178.83 177.09 3iuk h ARG 519 N 0.18 0.47 -0.15 1.69 2.43 -0.54 -0.61 114.38 117.85 3iuk h ARG 519 Ca 0.22 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 59.16 3iuk h ARG 519 Cb 0.29 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3iuk h ARG 519 CO -0.31 0.31 -0.72 -0.07 -1.51 0.00 0.00 179.97 177.67 3iuk h LEU 520 N 0.48 0.77 -0.34 3.80 3.38 -1.03 -0.00 115.31 122.37 3iuk h LEU 520 Ca 0.28 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.79 3iuk h LEU 520 Cb 0.26 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3iuk h LEU 520 CO -0.23 1.25 0.15 -0.50 0.09 0.00 0.00 178.44 179.20 3iuk h TRP 521 N 0.46 0.28 -0.35 1.13 4.06 -0.94 -2.06 115.95 118.53 3iuk h TRP 521 Ca -0.03 0.01 -0.08 0.00 2.06 0.00 0.00 58.89 60.85 3iuk h TRP 521 Cb 1.32 -0.08 -0.02 0.00 -1.00 0.00 0.00 29.16 29.39 3iuk h TRP 521 CO 0.07 0.14 -0.13 0.93 -3.56 0.00 0.00 178.44 175.89 3iuk h GLU 522 N 0.32 0.62 -0.60 0.49 5.08 -0.80 -2.10 114.58 117.59 3iuk h GLU 522 Ca 0.14 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3iuk h GLU 522 Cb 0.07 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3iuk h GLU 522 CO -0.11 0.73 0.34 1.96 -1.00 0.00 0.00 179.01 180.92 3iuk h GLN 523 N 0.56 0.84 0.04 2.33 4.20 -0.74 0.68 115.11 123.01 3iuk h GLN 523 Ca 0.10 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.72 3iuk h GLN 523 Cb 0.55 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3iuk h GLN 523 CO 0.03 0.63 -0.06 0.82 -0.67 0.00 0.00 178.83 179.58 3iuk h ILE 524 N 0.82 0.84 -0.65 2.54 2.04 -1.11 -1.05 117.51 120.94 3iuk h ILE 524 Ca 0.21 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.05 3iuk h ILE 524 Cb 0.03 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3iuk h ILE 524 CO -0.04 0.00 0.33 -0.09 0.00 0.00 0.00 178.15 178.35 3iuk h ARG 525 N -0.13 0.93 -0.54 2.37 2.43 -1.16 -2.42 114.38 115.86 3iuk h ARG 525 Ca 0.01 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3iuk h ARG 525 Cb 0.14 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 3iuk h ARG 525 CO -0.04 0.73 0.34 0.00 -1.51 0.00 0.00 179.97 179.49 3iuk h ALA 526 N 1.15 0.68 -0.01 2.80 0.00 -0.76 0.39 119.26 123.52 3iuk h ALA 526 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3iuk h ALA 526 Cb 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3iuk h ALA 526 CO -0.03 0.15 -0.01 1.49 0.00 0.00 0.00 179.25 180.85 3iuk h GLU 527 N 0.73 -0.01 -0.35 0.00 4.57 -0.99 -2.74 114.58 115.79 3iuk h GLU 527 Ca 0.19 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 3iuk h GLU 527 Cb -0.05 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3iuk h GLU 527 CO -0.04 -0.01 0.18 -0.07 -1.18 0.00 0.00 179.01 177.89 3iuk h LEU 528 N -0.02 0.43 -1.91 1.64 3.38 -1.23 -0.74 115.31 116.86 3iuk h LEU 528 Ca 0.01 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3iuk h LEU 528 Cb 0.03 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3iuk h LEU 528 CO -0.02 0.36 -0.12 -0.33 0.09 0.00 0.00 178.44 178.42 3iuk h GLU 529 N 0.49 0.00 0.00 1.13 5.08 -0.63 -2.40 114.58 118.25 3iuk h GLU 529 Ca 0.13 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3iuk h GLU 529 Cb 0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3iuk h GLU 529 CO -0.02 0.12 -0.01 0.66 -1.00 0.00 0.00 179.01 178.76 3iuk h SER 530 N 0.00 0.00 -3.16 1.42 4.64 -0.86 -3.45 113.55 112.13 3iuk h SER 530 Ca -0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3iuk h SER 530 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3iuk h SER 530 CO 0.02 0.01 -0.16 -0.13 -0.87 0.00 0.00 176.83 175.69 3iuk s ARG 531 N -3.88 3.62 0.47 4.77 0.52 -0.90 -5.06 118.95 118.48 3iuk s ARG 531 Ca -0.02 -0.03 -0.25 0.00 -0.52 0.00 0.00 55.73 54.92 3iuk s ARG 531 Cb 0.11 -2.66 -0.08 0.00 0.52 0.00 0.00 34.95 32.84 3iuk s ARG 531 CO 0.49 0.23 1.42 -1.83 0.02 0.00 0.00 175.30 175.63 3iuk s GLU 532 N -3.56 3.57 0.00 3.54 -1.05 -1.26 -2.88 118.70 117.05 3iuk s GLU 532 Ca 0.43 2.41 0.00 0.00 -0.15 0.00 0.00 54.97 57.66 3iuk s GLU 532 Cb -0.11 -2.58 0.00 0.00 -0.44 0.00 0.00 34.13 31.01 3iuk s GLU 532 CO 0.30 -0.91 0.00 0.41 0.95 0.00 0.00 175.26 176.01 3iuk n GLY 533 N 0.60 0.68 3.67 -3.83 0.00 -1.26 -4.97 105.19 100.08 3iuk n GLY 533 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 3iuk n GLY 533 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3iuk n PHE 534 N -2.43 2.03 -3.75 1.61 7.35 -1.14 -4.96 117.46 116.17 3iuk n PHE 534 Ca 0.00 0.56 -0.24 0.00 -0.76 0.00 0.00 57.45 57.01 3iuk n PHE 534 Cb 0.03 -2.39 -0.17 0.00 0.35 0.00 0.00 39.48 37.30 3iuk n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3iuk s ASP 535 N -0.23 1.95 0.15 -2.13 -1.08 -1.26 -5.06 116.67 109.01 3iuk s ASP 535 Ca 0.59 -0.29 -0.12 0.00 -0.52 0.00 0.00 52.55 52.21 3iuk s ASP 535 Cb -0.62 -0.46 0.02 0.00 -1.46 0.00 0.00 42.92 40.40 3iuk s ASP 535 CO 0.59 -0.23 1.61 0.25 0.52 0.00 0.00 175.17 177.91 3iuk h LEU 536 N 8.32 0.86 -1.03 -1.34 5.85 -1.93 -1.07 115.31 124.97 3iuk h LEU 536 Ca -0.18 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.26 3iuk h LEU 536 Cb 1.12 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 3iuk h LEU 536 CO 0.28 0.95 0.65 0.50 -0.34 0.00 0.00 178.44 180.48 3iuk h LYS 537 N 0.75 1.26 -0.51 1.25 3.64 -1.78 -1.80 116.57 119.37 3iuk h LYS 537 Ca 0.14 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 3iuk h LYS 537 Cb 0.51 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3iuk h LYS 537 CO 0.02 0.83 -0.18 0.77 -2.27 0.00 0.00 179.45 178.63 3iuk h SER 538 N 1.29 1.04 -0.29 4.20 0.02 -1.72 -1.43 113.55 116.66 3iuk h SER 538 Ca 0.38 -0.38 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3iuk h SER 538 Cb -0.08 -0.29 -0.05 0.00 0.14 0.00 0.00 62.40 62.13 3iuk h SER 538 CO -0.10 1.18 -0.01 0.15 -1.14 0.00 0.00 176.83 176.91 3iuk h PHE 539 N 0.89 -0.04 -0.44 3.45 3.57 -0.98 -1.62 116.94 121.77 3iuk h PHE 539 Ca 0.12 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 3iuk h PHE 539 Cb 0.76 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 3iuk h PHE 539 CO 0.05 -0.06 0.18 0.45 -2.23 0.00 0.00 178.31 176.69 3iuk h HIS 540 N 0.07 0.67 0.24 0.41 3.86 -1.07 -1.16 115.15 118.16 3iuk h HIS 540 Ca 0.14 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 3iuk h HIS 540 Cb 0.19 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.46 3iuk h HIS 540 CO -0.23 0.58 -0.12 0.77 0.86 0.00 0.00 177.93 179.79 3iuk h SER 541 N 0.57 -0.27 -0.83 2.45 0.02 -1.21 -0.57 113.55 113.70 3iuk h SER 541 Ca 0.15 -0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.12 3iuk h SER 541 Cb 0.19 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 3iuk h SER 541 CO -0.01 -0.14 0.51 0.50 -1.14 0.00 0.00 176.83 176.55 3iuk h LYS 542 N -0.38 0.92 0.14 3.45 3.64 -1.16 -1.44 116.57 121.73 3iuk h LYS 542 Ca -0.03 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3iuk h LYS 542 Cb 0.29 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3iuk h LYS 542 CO 0.05 0.61 -0.07 0.00 -2.27 0.00 0.00 179.45 177.78 3iuk h ALA 543 N 1.39 -0.18 0.00 5.00 0.00 -1.09 -3.30 119.26 121.08 3iuk h ALA 543 Ca 0.36 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3iuk h ALA 543 Cb 0.15 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3iuk h ALA 543 CO -0.17 -0.36 -0.29 -0.07 0.00 0.00 0.00 179.25 178.37 3iuk h LEU 544 N -0.66 0.00 -2.22 0.00 3.38 -1.06 -2.66 115.31 112.10 3iuk h LEU 544 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3iuk h LEU 544 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3iuk h LEU 544 CO 0.03 0.29 -0.02 0.78 0.09 0.00 0.00 178.44 179.61 3iuk h ASN 545 N 0.00 0.00 0.64 -0.43 2.35 -1.33 -2.63 115.58 114.17 3iuk h ASN 545 Ca -0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 3iuk h ASN 545 Cb 0.53 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 3iuk h ASN 545 CO 0.04 0.02 -0.38 0.40 -1.65 0.00 0.00 177.43 175.86 3iuk h ILE 546 N 0.00 1.02 0.00 2.81 2.04 -1.55 -3.46 117.51 118.37 3iuk h ILE 546 Ca -0.00 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.44 3iuk h ILE 546 Cb 0.04 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 3iuk h ILE 546 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 178.15 179.13 3iuk n GLY 547 N -0.05 -2.03 3.63 5.37 0.00 -0.99 -4.82 105.19 106.30 3iuk n GLY 547 Ca -0.01 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 3iuk n GLY 547 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iuk s SER 548 N -4.00 6.64 0.16 1.61 0.15 -1.26 -4.99 113.70 112.01 3iuk s SER 548 Ca 0.00 1.21 -0.03 0.00 0.70 0.00 0.00 55.95 57.84 3iuk s SER 548 Cb 0.00 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 3iuk s SER 548 CO 0.00 -1.11 0.14 0.68 1.20 0.00 0.00 173.24 174.15 3iuk s VAL 549 N 4.48 0.06 0.60 4.45 -7.23 -1.26 -4.47 120.40 117.03 3iuk s VAL 549 Ca 0.57 -1.84 -0.18 0.00 -1.81 0.00 0.00 61.98 58.72 3iuk s VAL 549 Cb -0.17 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 3iuk s VAL 549 CO 0.24 -0.27 1.21 -0.83 -0.31 0.00 0.00 175.10 175.14 3iuk s GLY 550 N -3.07 2.72 0.40 2.32 0.00 -1.26 -4.58 107.32 103.84 3iuk s GLY 550 Ca 0.28 1.01 0.07 0.00 0.00 0.00 0.00 44.72 46.08 3iuk s GLY 550 CO 0.05 1.40 2.02 1.41 0.00 0.00 0.00 173.10 177.98 3iuk h LEU 551 N 0.80 0.52 -0.88 0.66 -0.00 -1.36 -0.48 115.31 114.57 3iuk h LEU 551 Ca -0.50 -0.01 0.01 0.00 -0.00 0.00 0.00 57.88 57.38 3iuk h LEU 551 Cb 1.30 -0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 41.79 3iuk h LEU 551 CO 0.55 0.36 0.58 0.44 -0.00 0.00 0.00 178.44 180.37 3iuk h ASP 552 N 0.61 1.00 -0.25 -0.43 3.32 -1.50 -2.09 116.42 117.08 3iuk h ASP 552 Ca 0.22 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 3iuk h ASP 552 Cb 0.11 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3iuk h ASP 552 CO -0.06 0.72 -0.18 0.58 -1.72 0.00 0.00 179.24 178.58 3iuk h VAL 553 N 1.18 1.31 -0.59 -1.35 2.07 -1.55 -1.55 116.25 115.77 3iuk h VAL 553 Ca 0.33 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 3iuk h VAL 553 Cb -0.11 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3iuk h VAL 553 CO -0.08 0.41 0.34 0.25 0.02 0.00 0.00 177.57 178.51 3iuk h LEU 554 N 0.27 0.73 -0.46 2.57 5.85 -1.07 0.13 115.31 123.33 3iuk h LEU 554 Ca 0.05 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3iuk h LEU 554 Cb 0.71 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3iuk h LEU 554 CO 0.05 0.60 0.22 -0.09 -0.34 0.00 0.00 178.44 178.88 3iuk h ARG 555 N 0.80 0.67 0.00 1.25 1.12 -1.25 -1.96 114.38 115.01 3iuk h ARG 555 Ca 0.21 -0.10 -0.08 0.00 -1.11 0.00 0.00 59.98 58.90 3iuk h ARG 555 Cb 0.02 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 29.85 3iuk h ARG 555 CO -0.04 0.57 -0.38 0.00 -3.11 0.00 0.00 179.97 177.01 3iuk h ARG 556 N 0.60 0.00 0.00 0.20 3.08 -0.91 0.90 114.38 118.26 3iuk h ARG 556 Ca 0.16 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 3iuk h ARG 556 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3iuk h ARG 556 CO -0.02 0.38 -0.31 0.00 -1.07 0.00 0.00 179.97 178.94 3iuk h ALA 557 N 1.62 1.18 0.00 0.04 0.00 -0.25 -3.35 119.26 118.51 3iuk h ALA 557 Ca -0.00 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 3iuk h ALA 557 Cb 0.73 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3iuk h ALA 557 CO 0.05 0.39 -1.83 1.28 0.00 0.00 0.00 179.25 179.15 3iuk n LEU 558 N -3.73 0.00 -0.75 0.00 4.77 -0.78 -5.09 117.00 111.42 3iuk n LEU 558 Ca -0.01 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.10 3iuk n LEU 558 Cb 0.41 0.26 0.29 0.00 -2.33 0.00 0.00 43.42 42.05 3iuk n LEU 558 CO 0.36 0.26 0.74 0.18 -1.33 0.00 0.00 177.39 177.59