#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dul h TRP 7 N 0.00 0.73 -0.38 4.78 -0.00 -2.05 -0.11 115.95 118.93 3dul h TRP 7 Ca 0.00 -0.36 -0.01 0.00 -0.00 0.00 0.00 58.89 58.52 3dul h TRP 7 Cb 0.00 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.16 29.04 3dul h TRP 7 CO 0.00 1.17 0.21 1.15 -0.00 0.00 0.00 178.44 180.96 3dul h THR 8 N 0.32 1.15 -0.81 1.49 2.02 -2.02 0.29 112.91 115.34 3dul h THR 8 Ca -0.07 -0.39 0.04 0.00 0.77 0.00 0.00 66.41 66.77 3dul h THR 8 Cb 1.48 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 68.55 3dul h THR 8 CO 0.16 0.15 0.51 0.00 0.37 0.00 0.00 175.52 176.71 3dul h ALA 9 N 1.07 1.08 0.01 6.16 0.00 -1.95 0.32 119.26 125.94 3dul h ALA 9 Ca 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3dul h ALA 9 Cb 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3dul h ALA 9 CO -0.02 0.31 -0.01 0.28 0.00 0.00 0.00 179.25 179.81 3dul h VAL 10 N 0.98 1.21 0.00 0.00 2.07 -0.21 -1.98 116.25 118.32 3dul h VAL 10 Ca 0.33 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 3dul h VAL 10 Cb 0.05 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3dul h VAL 10 CO -0.13 0.18 -0.17 0.44 0.02 0.00 0.00 177.57 177.91 3dul h ASP 11 N -0.31 0.00 -0.50 0.57 3.32 -0.12 -0.76 116.42 118.61 3dul h ASP 11 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3dul h ASP 11 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3dul h ASP 11 CO 0.00 0.17 -0.14 -0.61 -1.72 0.00 0.00 179.24 176.94 3dul h GLN 12 N 0.00 0.97 -0.41 3.56 5.75 -0.19 -1.17 115.11 123.62 3dul h GLN 12 Ca -0.00 -0.38 -0.13 0.00 -0.15 0.00 0.00 58.65 57.99 3dul h GLN 12 Cb 0.48 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 3dul h GLN 12 CO 0.02 1.05 -0.25 -0.92 -2.65 0.00 0.00 178.83 176.09 3dul h TYR 13 N 0.83 1.04 -0.93 3.99 3.20 -0.55 -2.54 116.97 122.01 3dul h TYR 13 Ca 0.12 -0.27 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 3dul h TYR 13 Cb 0.71 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 3dul h TYR 13 CO 0.05 1.07 0.53 0.28 -1.64 0.00 0.00 178.16 178.45 3dul h VAL 14 N 0.71 1.26 -0.62 1.81 2.07 -0.97 -1.77 116.25 118.73 3dul h VAL 14 Ca 0.08 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 3dul h VAL 14 Cb 0.82 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3dul h VAL 14 CO 0.07 0.28 0.39 -1.28 0.02 0.00 0.00 177.57 177.05 3dul h SER 15 N 1.29 0.74 -0.71 0.57 0.87 -1.07 -0.48 113.55 114.76 3dul h SER 15 Ca 0.33 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 3dul h SER 15 Cb -0.02 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.72 3dul h SER 15 CO -0.06 0.57 0.36 0.44 -0.53 0.00 0.00 176.83 177.61 3dul h ASP 16 N 0.85 0.92 0.40 6.23 3.32 -0.93 -1.19 116.42 126.01 3dul h ASP 16 Ca 0.23 -0.09 -0.31 0.00 0.02 0.00 0.00 57.03 56.87 3dul h ASP 16 Cb -0.04 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 3dul h ASP 16 CO -0.04 0.77 -1.57 -0.37 -1.72 0.00 0.00 179.24 176.31 3dul h VAL 17 N 1.02 1.12 -0.09 -1.35 -1.51 -1.06 -3.37 116.25 111.02 3dul h VAL 17 Ca 0.25 -2.74 -0.21 0.00 -1.23 0.00 0.00 66.70 62.77 3dul h VAL 17 Cb 0.08 2.77 0.00 0.00 -2.13 0.00 0.00 31.29 32.01 3dul h VAL 17 CO -0.03 0.82 -0.79 -0.07 -1.23 0.00 0.00 177.57 176.27 3dul h LEU 18 N 0.08 0.65 -8.03 4.19 3.38 -1.08 -3.40 115.31 111.10 3dul h LEU 18 Ca -0.26 -0.44 -0.73 0.00 0.09 0.00 0.00 57.88 56.54 3dul h LEU 18 Cb 2.04 -0.19 -0.28 0.00 0.09 0.00 0.00 40.66 42.31 3dul h LEU 18 CO 0.17 1.21 -0.39 -0.63 0.09 0.00 0.00 178.44 178.89 3dul s ILE 19 N -3.60 4.35 0.35 1.22 1.01 -0.45 -5.07 121.20 119.01 3dul s ILE 19 Ca -0.07 -1.62 -0.27 0.00 0.00 0.00 0.00 60.65 58.68 3dul s ILE 19 Cb 0.09 -3.79 -0.12 0.00 0.01 0.00 0.00 42.46 38.65 3dul s ILE 19 CO 0.87 -0.70 1.18 -2.65 0.00 0.00 0.00 174.94 173.63 3dul n PRO 20 N 4.95 1.80 -1.63 2.79 -0.02 -1.26 -4.67 135.00 136.96 3dul n PRO 20 Ca -0.09 0.63 -0.47 0.00 -2.02 0.00 0.00 63.50 61.55 3dul n PRO 20 Cb 0.41 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 3dul n PRO 20 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3dul n LYS 21 N 0.50 1.68 -4.03 -0.52 4.76 -1.26 -4.95 118.16 114.34 3dul n LYS 21 Ca 0.07 0.60 -0.32 0.00 -2.87 0.00 0.00 58.31 55.79 3dul n LYS 21 Cb 0.36 -2.24 -0.15 0.00 -1.84 0.00 0.00 35.03 31.16 3dul n LYS 21 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3dul s ASP 22 N 0.38 4.65 0.27 4.39 2.15 -1.26 -4.99 116.67 122.25 3dul s ASP 22 Ca 0.75 -1.74 -0.00 0.00 0.43 0.00 0.00 52.55 51.98 3dul s ASP 22 Cb -0.76 -1.61 0.52 0.00 -0.30 0.00 0.00 42.92 40.77 3dul s ASP 22 CO 0.47 -0.29 1.81 0.77 -0.17 0.00 0.00 175.17 177.76 3dul h SER 23 N 7.73 0.75 0.42 -0.34 4.64 -1.98 0.15 113.55 124.92 3dul h SER 23 Ca -0.13 0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 3dul h SER 23 Cb 1.03 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3dul h SER 23 CO 0.50 0.38 -0.20 0.74 -0.87 0.00 0.00 176.83 177.38 3dul h THR 24 N 0.83 0.59 0.00 2.95 2.02 -1.96 -2.07 112.91 115.26 3dul h THR 24 Ca 0.47 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.50 3dul h THR 24 Cb 0.53 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3dul h THR 24 CO -0.29 0.02 -0.09 -0.07 0.37 0.00 0.00 175.52 175.46 3dul h LEU 25 N -0.64 0.00 -0.09 2.58 3.38 -1.89 -1.42 115.31 117.23 3dul h LEU 25 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3dul h LEU 25 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3dul h LEU 25 CO 0.09 0.09 0.04 -0.08 0.09 0.00 0.00 178.44 178.67 3dul h GLU 26 N 0.00 0.14 -0.01 1.13 4.57 -0.15 -2.34 114.58 117.92 3dul h GLU 26 Ca -0.00 -0.03 -0.18 0.00 -1.18 0.00 0.00 59.36 57.97 3dul h GLU 26 Cb 0.28 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3dul h GLU 26 CO 0.01 0.26 -0.80 1.05 -1.18 0.00 0.00 179.01 178.35 3dul h GLU 27 N -0.00 0.17 -0.78 1.92 4.11 -0.87 -2.48 114.58 116.65 3dul h GLU 27 Ca 0.03 -0.17 0.09 0.00 0.07 0.00 0.00 59.36 59.39 3dul h GLU 27 Cb 0.17 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 3dul h GLU 27 CO -0.00 0.88 0.43 0.28 0.07 0.00 0.00 179.01 180.67 3dul h VAL 28 N 0.10 0.90 -0.02 -1.06 2.07 -1.18 0.26 116.25 117.33 3dul h VAL 28 Ca -0.03 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 3dul h VAL 28 Cb 1.39 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3dul h VAL 28 CO 0.12 0.13 -0.52 -0.07 0.02 0.00 0.00 177.57 177.25 3dul h LEU 29 N 0.73 0.07 -0.64 2.57 3.38 -1.33 -0.96 115.31 119.13 3dul h LEU 29 Ca 0.37 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.19 3dul h LEU 29 Cb 0.34 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3dul h LEU 29 CO -0.25 0.58 -0.25 1.56 0.09 0.00 0.00 178.44 180.17 3dul h GLN 30 N 0.05 0.79 0.19 1.13 4.20 -0.41 -1.62 115.11 119.45 3dul h GLN 30 Ca -0.00 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.36 3dul h GLN 30 Cb 0.93 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.69 3dul h GLN 30 CO 0.07 0.96 -0.09 0.28 -0.67 0.00 0.00 178.83 179.38 3dul h VAL 31 N 0.68 0.90 -0.68 -0.54 2.07 -0.32 -2.85 116.25 115.51 3dul h VAL 31 Ca 0.09 -0.75 0.19 0.00 0.82 0.00 0.00 66.70 67.05 3dul h VAL 31 Cb 0.78 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3dul h VAL 31 CO 0.06 0.16 0.49 0.78 0.02 0.00 0.00 177.57 179.08 3dul h ASN 32 N -0.65 0.03 0.00 0.57 4.21 -1.13 0.35 115.58 118.96 3dul h ASN 32 Ca -0.03 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.49 3dul h ASN 32 Cb 0.47 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.66 3dul h ASN 32 CO 0.04 0.01 0.14 0.00 -1.29 0.00 0.00 177.43 176.34 3dul h ALA 33 N 1.66 1.14 -0.01 -0.83 0.00 -1.04 -0.25 119.26 119.94 3dul h ALA 33 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3dul h ALA 33 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3dul h ALA 33 CO -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 179.25 179.07 3dul n ALA 34 N -1.96 2.50 1.13 0.00 0.00 0.12 -4.63 120.51 117.67 3dul n ALA 34 Ca -0.02 -0.48 0.14 0.00 0.00 0.00 0.00 53.44 53.07 3dul n ALA 34 Cb 0.20 -0.16 0.57 0.00 0.00 0.00 0.00 19.45 20.06 3dul n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dul n ALA 35 N 0.09 2.67 -3.48 0.00 0.00 -0.10 -4.95 120.51 114.72 3dul n ALA 35 Ca 0.02 -0.18 -0.19 0.00 0.00 0.00 0.00 53.44 53.09 3dul n ALA 35 Cb 0.11 -1.38 0.07 0.00 0.00 0.00 0.00 19.45 18.24 3dul n ALA 35 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dul n ASN 36 N -1.37 -3.13 -4.78 0.00 3.02 -1.24 -4.86 115.26 102.90 3dul n ASN 36 Ca 0.09 -0.73 -0.34 0.00 -0.03 0.00 0.00 54.58 53.57 3dul n ASN 36 Cb 0.31 -4.71 -0.01 0.00 -0.61 0.00 0.00 39.78 34.77 3dul n ASN 36 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dul s LEU 37 N -6.23 3.75 0.00 3.41 1.43 -1.26 -4.98 118.68 114.80 3dul s LEU 37 Ca 0.15 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 3dul s LEU 37 Cb -0.03 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.62 3dul s LEU 37 CO 0.77 -1.08 0.12 -2.65 0.23 0.00 0.00 176.35 173.73 3dul n PRO 38 N -1.28 0.00 0.00 1.29 -0.02 -1.26 -4.82 135.00 128.90 3dul n PRO 38 Ca 0.11 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3dul n PRO 38 Cb 0.52 -0.42 0.00 0.00 -0.02 0.00 0.00 33.50 33.58 3dul n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dul n ALA 39 N -1.39 0.00 -2.32 3.55 0.00 -1.26 -5.19 120.51 113.90 3dul n ALA 39 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 3dul n ALA 39 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3dul n ALA 39 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3dul s HIS 40 N 0.00 1.69 0.12 0.00 -3.43 -1.26 -5.16 115.29 107.25 3dul s HIS 40 Ca 0.00 -1.54 0.04 0.00 -0.80 0.00 0.00 55.06 52.75 3dul s HIS 40 Cb 0.00 -0.79 -0.04 0.00 -1.43 0.00 0.00 32.58 30.32 3dul s HIS 40 CO 0.00 -0.71 0.14 0.34 -2.00 0.00 0.00 174.74 172.51 3dul s ASP 41 N -3.39 5.69 -0.19 7.38 -1.08 -1.26 -4.95 116.67 118.87 3dul s ASP 41 Ca 0.37 -0.02 -0.02 0.00 -0.52 0.00 0.00 52.55 52.36 3dul s ASP 41 Cb 0.03 -1.55 -0.01 0.00 -1.46 0.00 0.00 42.92 39.93 3dul s ASP 41 CO 0.23 0.11 -0.08 -0.69 0.52 0.00 0.00 175.17 175.26 3dul s VAL 42 N -1.60 3.19 -0.30 1.11 1.01 -1.26 -4.95 120.40 117.59 3dul s VAL 42 Ca 0.31 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 3dul s VAL 42 Cb -0.11 -2.41 0.10 0.00 0.00 0.00 0.00 36.38 33.96 3dul s VAL 42 CO 0.24 0.47 0.11 -0.55 0.00 0.00 0.00 175.10 175.36 3dul s SER 43 N 1.06 3.84 0.36 3.32 0.15 -1.26 -0.38 113.70 120.80 3dul s SER 43 Ca 0.00 -1.50 0.04 0.00 0.70 0.00 0.00 55.95 55.18 3dul s SER 43 Cb -0.15 -0.68 0.69 0.00 -1.71 0.00 0.00 66.02 64.17 3dul s SER 43 CO -0.01 -0.42 2.01 -0.65 1.20 0.00 0.00 173.24 175.37 3dul h PRO 44 N 8.20 0.77 -0.34 5.44 0.11 -1.97 -0.87 132.00 143.34 3dul h PRO 44 Ca -0.16 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.81 3dul h PRO 44 Cb 1.01 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 3dul h PRO 44 CO 0.46 0.51 -0.17 1.79 -0.21 0.00 0.00 178.00 180.37 3dul h THR 45 N 0.79 1.26 -0.22 -1.15 1.35 -1.92 0.53 112.91 113.55 3dul h THR 45 Ca 0.23 -1.19 -0.18 0.00 -0.55 0.00 0.00 66.41 64.73 3dul h THR 45 Cb -0.03 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 3dul h THR 45 CO -0.06 0.39 -0.56 -0.61 -0.25 0.00 0.00 175.52 174.44 3dul h GLN 46 N 0.55 0.76 -0.40 4.72 4.15 -1.64 -0.55 115.11 122.71 3dul h GLN 46 Ca 0.09 -0.53 0.01 0.00 0.77 0.00 0.00 58.65 58.99 3dul h GLN 46 Cb 0.61 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.36 3dul h GLN 46 CO 0.04 1.15 0.25 0.78 -1.93 0.00 0.00 178.83 179.12 3dul h GLY 47 N 0.49 0.56 0.93 2.39 0.00 -0.97 0.16 103.07 106.63 3dul h GLY 47 Ca -0.01 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.15 3dul h GLY 47 CO 0.12 0.17 0.47 1.70 0.00 0.00 0.00 176.54 179.01 3dul h LYS 48 N 0.50 0.91 -0.47 4.80 3.11 -0.85 -0.04 116.57 124.53 3dul h LYS 48 Ca 0.15 -0.05 0.03 0.00 -2.81 0.00 0.00 60.65 57.97 3dul h LYS 48 Cb -0.02 -0.21 -0.04 0.00 -1.00 0.00 0.00 32.23 30.97 3dul h LYS 48 CO -0.06 0.60 0.26 0.35 -2.81 0.00 0.00 179.45 177.79 3dul h PHE 49 N 0.94 0.48 -0.16 1.91 3.57 -0.12 -0.38 116.94 123.17 3dul h PHE 49 Ca 0.28 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.80 3dul h PHE 49 Cb -0.04 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3dul h PHE 49 CO -0.03 0.25 0.10 -0.07 -2.23 0.00 0.00 178.31 176.34 3dul h LEU 50 N 0.51 0.19 -0.03 0.59 3.38 0.16 -0.60 115.31 119.51 3dul h LEU 50 Ca 0.20 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3dul h LEU 50 Cb 0.07 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3dul h LEU 50 CO -0.12 0.15 0.02 -0.61 0.09 0.00 0.00 178.44 177.97 3dul h GLN 51 N 0.21 0.03 -0.78 1.13 4.15 -0.56 -1.61 115.11 117.69 3dul h GLN 51 Ca 0.06 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3dul h GLN 51 Cb -0.01 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 3dul h GLN 51 CO -0.01 0.04 0.50 -0.07 -1.93 0.00 0.00 178.83 177.36 3dul h LEU 52 N 0.02 0.91 -0.64 -2.39 3.38 -0.99 -1.41 115.31 114.19 3dul h LEU 52 Ca 0.01 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3dul h LEU 52 Cb 0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3dul h LEU 52 CO -0.00 0.68 0.30 0.25 0.09 0.00 0.00 178.44 179.76 3dul h LEU 53 N 1.06 0.84 -0.70 1.67 6.46 -0.92 0.34 115.31 124.05 3dul h LEU 53 Ca 0.28 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 3dul h LEU 53 Cb -0.09 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.59 3dul h LEU 53 CO -0.06 0.74 0.46 0.58 -0.62 0.00 0.00 178.44 179.54 3dul h VAL 54 N 0.88 1.18 -0.54 1.05 2.07 -0.97 -0.10 116.25 119.82 3dul h VAL 54 Ca 0.22 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.27 3dul h VAL 54 Cb 0.13 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 3dul h VAL 54 CO -0.03 0.18 -0.14 1.56 0.02 0.00 0.00 177.57 179.17 3dul h GLN 55 N 0.95 1.04 -0.41 1.57 4.20 -0.32 0.45 115.11 122.58 3dul h GLN 55 Ca 0.26 -0.40 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 3dul h GLN 55 Cb -0.10 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3dul h GLN 55 CO -0.05 1.09 0.12 0.82 -0.67 0.00 0.00 178.83 180.14 3dul h ILE 56 N 0.91 1.22 -0.21 2.54 2.04 0.10 -2.73 117.51 121.39 3dul h ILE 56 Ca 0.13 -0.73 -0.17 0.00 1.00 0.00 0.00 64.86 65.10 3dul h ILE 56 Cb 0.71 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3dul h ILE 56 CO 0.05 0.26 -0.55 -0.61 0.00 0.00 0.00 178.15 177.30 3dul h GLN 57 N 0.53 0.63 -0.48 2.37 4.15 -0.92 -3.47 115.11 117.91 3dul h GLN 57 Ca 0.13 -0.40 0.00 0.00 0.77 0.00 0.00 58.65 59.16 3dul h GLN 57 Cb 0.27 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.01 3dul h GLN 57 CO -0.00 1.01 0.00 0.41 -1.93 0.00 0.00 178.83 178.32 3dul n GLY 58 N 0.28 0.92 3.78 2.39 0.00 0.15 -5.02 105.19 107.68 3dul n GLY 58 Ca -0.03 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 3dul n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dul s ALA 59 N -2.48 3.51 0.00 4.61 0.00 -0.73 -4.86 121.76 121.81 3dul s ALA 59 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.44 3dul s ALA 59 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3dul s ALA 59 CO 0.00 -0.97 0.00 -2.13 0.00 0.00 0.00 175.76 172.66 3dul n ARG 60 N 0.45 1.10 -3.81 0.00 3.00 -1.26 -3.58 116.66 112.56 3dul n ARG 60 Ca 0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.56 3dul n ARG 60 Cb 0.40 -0.92 -0.15 0.00 0.00 0.00 0.00 32.46 31.80 3dul n ARG 60 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 3dul s ASN 61 N -1.71 4.22 -0.09 6.15 2.47 -1.26 -0.68 114.94 124.05 3dul s ASN 61 Ca 0.00 -1.80 -0.02 0.00 0.42 0.00 0.00 52.86 51.46 3dul s ASN 61 Cb 0.00 -1.07 -0.03 0.00 -1.45 0.00 0.00 41.25 38.70 3dul s ASN 61 CO 0.00 -0.40 0.00 -0.63 -3.72 0.00 0.00 177.10 172.35 3dul s ILE 62 N 1.40 4.30 -0.12 -5.21 1.01 0.23 -0.75 121.20 122.06 3dul s ILE 62 Ca 0.10 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.53 3dul s ILE 62 Cb -0.18 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.49 3dul s ILE 62 CO -0.20 0.60 -0.23 -0.22 0.00 0.00 0.00 174.94 174.89 3dul s LEU 63 N -0.80 2.07 -0.11 2.97 0.20 -0.34 -0.10 118.68 122.57 3dul s LEU 63 Ca 0.12 -0.57 0.03 0.00 0.69 0.00 0.00 54.13 54.40 3dul s LEU 63 Cb -0.11 -1.40 0.01 0.00 -0.43 0.00 0.00 46.19 44.25 3dul s LEU 63 CO 0.02 0.12 -0.20 -0.70 -0.29 0.00 0.00 176.35 175.31 3dul s GLU 64 N 0.56 2.65 -0.38 1.98 2.12 0.15 -0.65 118.70 125.13 3dul s GLU 64 Ca -0.14 -0.73 -0.08 0.00 0.36 0.00 0.00 54.97 54.38 3dul s GLU 64 Cb -0.17 -2.11 0.06 0.00 0.26 0.00 0.00 34.13 32.16 3dul s GLU 64 CO 0.04 0.05 0.19 0.42 -0.54 0.00 0.00 175.26 175.42 3dul s ILE 65 N 0.67 4.10 0.00 -3.70 1.01 0.17 -0.52 121.20 122.93 3dul s ILE 65 Ca -0.12 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 59.31 3dul s ILE 65 Cb -0.16 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 38.90 3dul s ILE 65 CO 0.03 -0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.24 3dul n GLY 66 N 4.88 0.74 0.34 6.18 0.00 0.12 -1.43 105.19 116.02 3dul n GLY 66 Ca -0.11 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 3dul n GLY 66 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3dul h THR 67 N 0.00 1.26 0.00 2.61 2.02 -1.25 -3.44 112.91 114.11 3dul h THR 67 Ca 0.00 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.38 3dul h THR 67 Cb 0.00 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3dul h THR 67 CO 0.00 0.33 0.00 0.18 0.37 0.00 0.00 175.52 176.40 3dul n LEU 68 N -4.29 0.00 -0.41 2.58 4.77 -1.26 -1.16 117.00 117.23 3dul n LEU 68 Ca 0.08 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.20 3dul n LEU 68 Cb 0.17 0.00 0.55 0.00 -2.33 0.00 0.00 43.42 41.82 3dul n LEU 68 CO 0.40 0.00 0.87 0.61 -1.33 0.00 0.00 177.39 177.95 3dul n GLY 69 N 0.00 -0.17 1.34 -0.72 0.00 -1.26 -4.47 105.19 99.91 3dul n GLY 69 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3dul n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dul n GLY 70 N 1.18 0.74 0.40 -0.02 0.00 -0.31 -4.29 105.19 102.90 3dul n GLY 70 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 3dul n GLY 70 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dul h TYR 71 N 0.00 -1.10 0.00 1.61 3.20 -1.92 -0.80 116.97 117.96 3dul h TYR 71 Ca 0.00 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 3dul h TYR 71 Cb 0.00 0.45 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3dul h TYR 71 CO 0.00 -0.52 -0.31 0.77 -1.64 0.00 0.00 178.16 176.46 3dul h SER 72 N -0.72 0.00 -0.81 -2.11 0.02 -1.94 -2.46 113.55 105.54 3dul h SER 72 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dul h SER 72 Cb 0.69 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 3dul h SER 72 CO -0.16 0.31 0.51 0.74 -1.14 0.00 0.00 176.83 177.10 3dul h THR 73 N 0.00 1.22 0.15 -2.27 2.02 -1.68 -1.20 112.91 111.15 3dul h THR 73 Ca -0.00 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 3dul h THR 73 Cb 0.62 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3dul h THR 73 CO 0.04 0.22 -0.07 0.40 0.37 0.00 0.00 175.52 176.48 3dul h ILE 74 N 1.11 0.89 -0.84 3.11 1.08 -0.69 -0.65 117.51 121.53 3dul h ILE 74 Ca 0.29 -0.16 0.08 0.00 -0.39 0.00 0.00 64.86 64.69 3dul h ILE 74 Cb -0.08 0.99 -0.07 0.00 -3.07 0.00 0.00 36.82 34.59 3dul h ILE 74 CO -0.06 0.04 0.50 -0.50 -0.69 0.00 0.00 178.15 177.44 3dul h TRP 75 N -0.27 0.92 0.10 1.37 4.06 -1.35 0.31 115.95 121.09 3dul h TRP 75 Ca -0.02 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 3dul h TRP 75 Cb 0.21 -0.29 0.00 0.00 -1.00 0.00 0.00 29.16 28.09 3dul h TRP 75 CO -0.05 0.43 -0.05 -0.07 -3.56 0.00 0.00 178.44 175.14 3dul h LEU 76 N 0.88 -0.11 -1.66 -4.49 3.38 -1.00 -2.99 115.31 109.32 3dul h LEU 76 Ca 0.38 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.15 3dul h LEU 76 Cb 0.26 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3dul h LEU 76 CO -0.21 0.17 0.26 0.00 0.09 0.00 0.00 178.44 178.75 3dul h ALA 77 N 0.48 1.80 0.00 1.53 0.00 -0.83 0.33 119.26 122.58 3dul h ALA 77 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dul h ALA 77 Cb 0.33 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3dul h ALA 77 CO 0.02 0.16 -0.02 -0.09 0.00 0.00 0.00 179.25 179.32 3dul h ARG 78 N 0.46 0.00 0.00 0.00 9.65 -0.79 -2.23 114.38 121.46 3dul h ARG 78 Ca 0.15 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 3dul h ARG 78 Cb 0.05 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 3dul h ARG 78 CO -0.04 0.02 -0.79 0.78 2.80 0.00 0.00 179.97 182.75 3dul h GLY 79 N 0.20 0.00 -4.16 2.80 0.00 -0.85 -3.49 103.07 97.57 3dul h GLY 79 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 3dul h GLY 79 CO 0.00 0.00 -0.07 1.04 0.00 0.00 0.00 176.54 177.52 3dul n LEU 80 N -2.28 1.27 0.00 3.11 4.77 -0.84 -4.28 117.00 118.74 3dul n LEU 80 Ca 0.02 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 3dul n LEU 80 Cb 0.48 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 3dul n LEU 80 CO 0.38 -1.98 0.00 -1.20 -1.33 0.00 0.00 177.39 173.26 3dul n SER 81 N 1.09 0.00 0.00 -1.43 7.64 -1.24 -4.91 113.62 114.77 3dul n SER 81 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 3dul n SER 81 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 3dul n SER 81 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3dul n SER 82 N 0.00 0.00 -3.08 6.43 7.64 -1.26 -3.92 113.62 119.43 3dul n SER 82 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 3dul n SER 82 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3dul n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dul n GLY 83 N 0.00 5.84 3.47 0.23 0.00 -1.26 -5.04 105.19 108.43 3dul n GLY 83 Ca 0.00 -2.67 -0.27 0.00 0.00 0.00 0.00 46.02 43.09 3dul n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dul n GLY 84 N -0.28 -1.70 3.37 -0.02 0.00 -1.25 -5.06 105.19 100.25 3dul n GLY 84 Ca 0.42 -1.67 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 3dul n GLY 84 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dul s ARG 85 N -5.59 0.98 -0.12 1.61 1.70 0.15 -4.81 118.95 112.87 3dul s ARG 85 Ca 0.68 -0.26 0.02 0.00 -0.47 0.00 0.00 55.73 55.70 3dul s ARG 85 Cb -0.03 0.45 0.01 0.00 -0.57 0.00 0.00 34.95 34.81 3dul s ARG 85 CO 0.49 -0.34 -0.19 0.08 -1.08 0.00 0.00 175.30 174.25 3dul s VAL 86 N -2.38 1.77 -0.24 4.99 1.01 -0.22 -0.61 120.40 124.72 3dul s VAL 86 Ca -0.06 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 3dul s VAL 86 Cb -0.01 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 3dul s VAL 86 CO -0.01 0.49 0.02 -0.69 0.00 0.00 0.00 175.10 174.91 3dul s VAL 87 N 0.85 3.85 -0.04 2.92 1.01 0.85 -1.00 120.40 128.84 3dul s VAL 87 Ca -0.08 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.57 3dul s VAL 87 Cb -0.15 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 3dul s VAL 87 CO -0.01 0.33 -0.25 0.28 0.00 0.00 0.00 175.10 175.45 3dul s THR 88 N 1.54 2.07 -0.13 3.92 -1.32 0.04 -0.67 115.64 121.09 3dul s THR 88 Ca 0.05 -1.08 -0.03 0.00 -1.21 0.00 0.00 61.69 59.43 3dul s THR 88 Cb -0.15 -1.73 -0.03 0.00 -1.51 0.00 0.00 72.50 69.08 3dul s THR 88 CO 0.00 0.57 -0.02 -0.76 -2.21 0.00 0.00 174.62 172.21 3dul s LEU 89 N -0.34 3.39 -0.14 9.08 1.43 0.32 -0.62 118.68 131.80 3dul s LEU 89 Ca 0.02 -0.02 -0.08 0.00 -1.03 0.00 0.00 54.13 53.02 3dul s LEU 89 Cb -0.12 -1.80 0.05 0.00 0.03 0.00 0.00 46.19 44.35 3dul s LEU 89 CO 0.02 0.25 0.34 -0.70 0.23 0.00 0.00 176.35 176.49 3dul s GLU 90 N -0.13 0.33 -0.03 1.70 2.12 -0.85 -0.70 118.70 121.13 3dul s GLU 90 Ca 0.03 0.64 -0.26 0.00 0.36 0.00 0.00 54.97 55.75 3dul s GLU 90 Cb -0.13 -0.01 -0.20 0.00 0.26 0.00 0.00 34.13 34.04 3dul s GLU 90 CO 0.02 -0.14 1.19 0.00 -0.54 0.00 0.00 175.26 175.79 3dul h ALA 91 N 6.86 -0.03 -2.36 6.30 0.00 -1.84 -2.23 119.26 125.95 3dul h ALA 91 Ca -0.36 -0.27 -0.54 0.00 0.00 0.00 0.00 54.91 53.74 3dul h ALA 91 Cb 1.17 0.01 0.03 0.00 0.00 0.00 0.00 17.79 19.00 3dul h ALA 91 CO 0.32 -0.24 1.17 0.45 0.00 0.00 0.00 179.25 180.95 3dul n SER 92 N -4.85 4.04 -0.19 0.00 2.88 -1.26 -3.44 113.62 110.80 3dul n SER 92 Ca -0.09 0.94 -0.08 0.00 -1.33 0.00 0.00 58.87 58.32 3dul n SER 92 Cb 0.27 -1.51 0.02 0.00 -0.75 0.00 0.00 64.21 62.24 3dul n SER 92 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3dul h GLU 93 N 9.70 0.83 0.25 -1.46 4.81 -1.99 -1.67 114.58 125.05 3dul h GLU 93 Ca -0.49 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 58.57 3dul h GLU 93 Cb 1.24 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3dul h GLU 93 CO 0.94 0.73 -0.12 -0.22 -0.73 0.00 0.00 179.01 179.61 3dul h LYS 94 N 0.75 -0.33 -0.77 1.92 3.64 -1.99 -2.16 116.57 117.63 3dul h LYS 94 Ca 0.18 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3dul h LYS 94 Cb 0.22 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 3dul h LYS 94 CO -0.01 -0.07 0.48 0.45 -2.27 0.00 0.00 179.45 178.03 3dul h HIS 95 N -0.55 1.00 -0.60 1.91 3.86 -1.88 -1.78 115.15 117.10 3dul h HIS 95 Ca -0.03 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3dul h HIS 95 Cb 0.41 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 3dul h HIS 95 CO -0.00 0.66 0.35 0.00 0.86 0.00 0.00 177.93 179.79 3dul h ALA 96 N 1.26 1.48 -0.57 2.45 0.00 -1.29 0.12 119.26 122.70 3dul h ALA 96 Ca 0.28 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3dul h ALA 96 Cb -0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3dul h ALA 96 CO -0.06 0.44 0.01 -0.44 0.00 0.00 0.00 179.25 179.21 3dul h ASP 97 N 0.83 0.98 -0.35 0.00 3.32 -0.66 0.40 116.42 120.93 3dul h ASP 97 Ca 0.22 -0.30 -0.10 0.00 0.02 0.00 0.00 57.03 56.87 3dul h ASP 97 Cb -0.01 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 3dul h ASP 97 CO -0.04 1.04 -0.12 0.40 -1.72 0.00 0.00 179.24 178.80 3dul h ILE 98 N 0.89 1.26 -0.45 0.35 1.08 -0.65 -2.64 117.51 117.35 3dul h ILE 98 Ca 0.16 -1.19 -0.03 0.00 -0.39 0.00 0.00 64.86 63.41 3dul h ILE 98 Cb 0.53 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 3dul h ILE 98 CO 0.03 0.41 0.16 0.00 -0.69 0.00 0.00 178.15 178.05 3dul h ALA 99 N 1.15 0.59 -0.85 1.87 0.00 -0.31 -1.33 119.26 120.39 3dul h ALA 99 Ca 0.12 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dul h ALA 99 Cb 0.61 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3dul h ALA 99 CO 0.04 0.23 0.56 0.00 0.00 0.00 0.00 179.25 180.08 3dul h ARG 100 N 0.59 1.06 -0.37 0.00 3.08 -0.75 0.65 114.38 118.65 3dul h ARG 100 Ca 0.15 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 3dul h ARG 100 Cb 0.24 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3dul h ARG 100 CO -0.01 0.70 -0.30 1.03 -1.07 0.00 0.00 179.97 180.33 3dul h SER 101 N 1.09 0.90 -0.50 7.04 0.87 -1.16 -0.72 113.55 121.07 3dul h SER 101 Ca 0.32 -0.45 -0.10 0.00 -1.23 0.00 0.00 61.79 60.34 3dul h SER 101 Cb -0.04 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.64 3dul h SER 101 CO -0.09 1.16 -0.04 0.78 -0.53 0.00 0.00 176.83 178.11 3dul h ASN 102 N 0.65 0.94 -0.43 6.23 2.35 -0.70 -0.16 115.58 124.47 3dul h ASN 102 Ca 0.07 -0.27 -0.10 0.00 -0.55 0.00 0.00 56.30 55.45 3dul h ASN 102 Cb 0.87 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 3dul h ASN 102 CO 0.08 1.02 -0.09 0.40 -1.65 0.00 0.00 177.43 177.19 3dul h ILE 103 N 0.87 1.26 -0.58 2.81 2.04 -0.78 -2.38 117.51 120.75 3dul h ILE 103 Ca 0.15 -1.19 -0.11 0.00 1.00 0.00 0.00 64.86 64.72 3dul h ILE 103 Cb 0.57 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3dul h ILE 103 CO 0.03 0.41 -0.06 -0.08 0.00 0.00 0.00 178.15 178.46 3dul h GLU 104 N 0.80 1.06 -0.90 2.37 4.81 -0.77 -2.28 114.58 119.67 3dul h GLU 104 Ca 0.13 -0.37 0.11 0.00 -0.13 0.00 0.00 59.36 59.11 3dul h GLU 104 Cb 0.60 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.84 3dul h GLU 104 CO 0.04 1.07 0.58 -0.09 -0.73 0.00 0.00 179.01 179.88 3dul h ARG 105 N 0.95 0.83 -0.13 1.92 2.43 -0.63 0.40 114.38 120.14 3dul h ARG 105 Ca 0.16 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3dul h ARG 105 Cb 0.63 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3dul h ARG 105 CO 0.04 0.55 0.00 0.00 -1.51 0.00 0.00 179.97 179.05 3dul n ALA 106 N -2.41 2.53 -3.71 2.80 0.00 -0.93 -4.92 120.51 113.88 3dul n ALA 106 Ca 0.16 -0.34 -0.22 0.00 0.00 0.00 0.00 53.44 53.04 3dul n ALA 106 Cb 0.35 -1.12 0.04 0.00 0.00 0.00 0.00 19.45 18.72 3dul n ALA 106 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dul n ASN 107 N -0.09 -1.63 -0.02 0.00 4.13 0.14 -4.90 115.26 112.88 3dul n ASN 107 Ca 0.12 -0.80 0.00 0.00 1.68 0.00 0.00 54.58 55.58 3dul n ASN 107 Cb 0.19 -4.10 0.01 0.00 -1.54 0.00 0.00 39.78 34.34 3dul n ASN 107 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3dul n LEU 108 N -4.32 1.10 0.31 3.41 4.77 -0.89 -4.77 117.00 116.61 3dul n LEU 108 Ca -0.26 -1.17 0.21 0.00 -0.03 0.00 0.00 56.01 54.75 3dul n LEU 108 Cb 0.66 -0.02 1.01 0.00 -2.33 0.00 0.00 43.42 42.74 3dul n LEU 108 CO 0.69 0.29 1.11 -0.55 -1.33 0.00 0.00 177.39 177.60 3dul h ASN 109 N 0.00 0.00 0.91 -1.43 7.08 -1.86 -1.81 115.58 118.47 3dul h ASN 109 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3dul h ASN 109 Cb 0.77 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.01 3dul h ASN 109 CO 0.00 0.00 0.00 -0.90 -2.08 0.00 0.00 177.43 174.45 3dul n ASP 110 N -3.10 0.04 0.00 6.14 5.75 -1.26 -3.35 116.55 120.77 3dul n ASP 110 Ca -0.02 0.50 0.00 0.00 -0.01 0.00 0.00 54.79 55.27 3dul n ASP 110 Cb 0.17 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 3dul n ASP 110 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3dul n ARG 111 N -1.53 1.74 -4.61 0.11 1.85 -0.70 -5.03 116.66 108.49 3dul n ARG 111 Ca 0.06 -1.11 -0.24 0.00 -1.00 0.00 0.00 57.85 55.57 3dul n ARG 111 Cb 0.31 -0.89 -0.16 0.00 -1.05 0.00 0.00 32.46 30.67 3dul n ARG 111 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3dul s VAL 112 N -0.63 1.12 -0.22 8.89 1.01 -1.07 -1.06 120.40 128.44 3dul s VAL 112 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3dul s VAL 112 Cb 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.42 3dul s VAL 112 CO 0.00 0.34 -0.13 -0.70 0.00 0.00 0.00 175.10 174.61 3dul s GLU 113 N 0.28 2.80 -0.44 2.72 2.12 -0.17 -4.82 118.70 121.20 3dul s GLU 113 Ca -0.07 -0.97 -0.16 0.00 0.36 0.00 0.00 54.97 54.12 3dul s GLU 113 Cb -0.12 -2.79 0.04 0.00 0.26 0.00 0.00 34.13 31.52 3dul s GLU 113 CO 0.02 -0.34 0.41 0.08 -0.54 0.00 0.00 175.26 174.89 3dul s VAL 114 N 1.27 5.15 -0.25 3.70 1.01 -1.26 -0.78 120.40 129.24 3dul s VAL 114 Ca 0.01 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.21 3dul s VAL 114 Cb -0.16 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 3dul s VAL 114 CO -0.08 -0.47 0.44 -0.13 0.00 0.00 0.00 175.10 174.86 3dul s ARG 115 N 1.95 4.08 0.11 2.72 0.52 0.21 -4.99 118.95 123.55 3dul s ARG 115 Ca 0.09 0.20 -0.05 0.00 -0.52 0.00 0.00 55.73 55.45 3dul s ARG 115 Cb -0.19 -3.62 -0.05 0.00 0.52 0.00 0.00 34.95 31.60 3dul s ARG 115 CO 0.11 -0.24 0.35 0.99 0.02 0.00 0.00 175.30 176.53 3dul s THR 116 N 1.96 5.19 0.00 0.02 2.01 -1.26 -2.01 115.64 121.55 3dul s THR 116 Ca 0.19 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.28 3dul s THR 116 Cb -0.15 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.74 3dul s THR 116 CO 0.09 0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 3dul n GLY 117 N 0.38 2.86 3.66 4.40 0.00 -0.84 -4.96 105.19 110.69 3dul n GLY 117 Ca -0.05 -1.98 -0.50 0.00 0.00 0.00 0.00 46.02 43.50 3dul n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dul n LEU 118 N 0.00 2.67 -0.21 0.99 4.77 -1.26 -3.36 117.00 120.60 3dul n LEU 118 Ca 0.00 1.07 0.01 0.00 -0.03 0.00 0.00 56.01 57.06 3dul n LEU 118 Cb 0.00 -1.31 0.11 0.00 -2.33 0.00 0.00 43.42 39.89 3dul n LEU 118 CO 0.00 -0.47 0.86 0.00 -1.33 0.00 0.00 177.39 176.45 3dul h ALA 119 N 6.41 0.66 -0.97 -1.18 0.00 -1.96 -0.88 119.26 121.35 3dul h ALA 119 Ca -0.47 0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.66 3dul h ALA 119 Cb 1.29 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 3dul h ALA 119 CO 0.88 -0.38 0.63 -0.07 0.00 0.00 0.00 179.25 180.32 3dul h LEU 120 N 0.15 1.05 -0.23 0.00 3.38 -1.99 0.24 115.31 117.91 3dul h LEU 120 Ca 0.33 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 3dul h LEU 120 Cb 0.54 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3dul h LEU 120 CO -0.51 0.72 0.02 0.44 0.09 0.00 0.00 178.44 179.20 3dul h ASP 121 N 1.22 0.38 -0.79 -0.43 3.32 -1.57 -2.14 116.42 116.41 3dul h ASP 121 Ca 0.39 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3dul h ASP 121 Cb 0.01 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 3dul h ASP 121 CO -0.12 0.58 0.36 0.28 -1.72 0.00 0.00 179.24 178.61 3dul h SER 122 N 0.18 1.06 -0.71 6.45 0.02 -0.71 -0.62 113.55 119.23 3dul h SER 122 Ca 0.07 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3dul h SER 122 Cb 0.37 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 3dul h SER 122 CO 0.01 0.92 0.42 -0.07 -1.14 0.00 0.00 176.83 176.97 3dul h LEU 123 N 1.13 0.86 -0.77 5.07 3.38 -0.45 0.15 115.31 124.68 3dul h LEU 123 Ca 0.27 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 3dul h LEU 123 Cb 0.16 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3dul h LEU 123 CO -0.03 0.67 0.10 1.56 0.09 0.00 0.00 178.44 180.83 3dul h GLN 124 N 0.97 1.03 -0.57 1.13 4.20 -0.89 -1.53 115.11 119.46 3dul h GLN 124 Ca 0.25 -0.26 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 3dul h GLN 124 Cb -0.03 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 3dul h GLN 124 CO -0.05 0.95 0.03 1.96 -0.67 0.00 0.00 178.83 181.05 3dul h GLN 125 N 0.97 0.96 -0.47 1.46 4.20 -0.52 -0.87 115.11 120.85 3dul h GLN 125 Ca 0.20 -0.27 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 3dul h GLN 125 Cb 0.42 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 3dul h GLN 125 CO 0.01 0.93 -0.06 0.82 -0.67 0.00 0.00 178.83 179.86 3dul h ILE 126 N 0.89 1.25 0.00 2.54 2.04 -0.70 -1.84 117.51 121.70 3dul h ILE 126 Ca 0.17 -1.11 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 3dul h ILE 126 Cb 0.48 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3dul h ILE 126 CO 0.02 0.39 -0.25 -0.08 0.00 0.00 0.00 178.15 178.23 3dul h GLU 127 N 0.75 0.00 -0.10 2.37 4.22 -0.83 -2.48 114.58 118.51 3dul h GLU 127 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.57 3dul h GLU 127 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3dul h GLU 127 CO 0.03 0.25 0.00 0.09 -2.18 0.00 0.00 179.01 177.20 3dul n ASN 128 N -3.47 1.82 -4.82 1.04 5.03 -0.37 -4.91 115.26 109.58 3dul n ASN 128 Ca -0.00 -1.65 -0.29 0.00 0.87 0.00 0.00 54.58 53.51 3dul n ASN 128 Cb 0.42 -0.06 -0.05 0.00 -1.02 0.00 0.00 39.78 39.08 3dul n ASN 128 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3dul s GLU 129 N -1.89 2.22 0.00 3.52 2.02 -0.76 -5.03 118.70 118.79 3dul s GLU 129 Ca 0.35 -2.14 0.00 0.00 0.02 0.00 0.00 54.97 53.20 3dul s GLU 129 Cb 0.20 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.57 3dul s GLU 129 CO 0.30 -0.42 0.82 1.63 0.02 0.00 0.00 175.26 177.61 3dul n LYS 130 N -1.47 0.82 -1.67 1.61 4.01 -1.26 -4.87 118.16 115.33 3dul n LYS 130 Ca -0.08 0.00 -0.46 0.00 -0.51 0.00 0.00 58.31 57.25 3dul n LYS 130 Cb 0.65 -1.00 -0.04 0.00 -0.51 0.00 0.00 35.03 34.13 3dul n LYS 130 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 3dul n TYR 131 N -0.50 2.29 -1.46 2.13 4.01 -1.26 -4.95 117.16 117.42 3dul n TYR 131 Ca 0.00 0.21 -0.30 0.00 -0.16 0.00 0.00 57.90 57.65 3dul n TYR 131 Cb 0.00 -2.57 0.11 0.00 -0.31 0.00 0.00 39.34 36.57 3dul n TYR 131 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3dul s GLU 132 N 1.57 1.69 0.54 -0.72 0.41 -1.26 -4.95 118.70 115.98 3dul s GLU 132 Ca 0.82 0.63 -0.22 0.00 -0.41 0.00 0.00 54.97 55.78 3dul s GLU 132 Cb -0.68 -1.87 -0.05 0.00 -1.78 0.00 0.00 34.13 29.74 3dul s GLU 132 CO 0.41 -1.89 1.36 -2.14 -0.49 0.00 0.00 175.26 172.50 3dul s PRO 133 N -5.12 3.19 0.35 0.39 0.02 -1.26 -4.95 135.00 127.61 3dul s PRO 133 Ca 0.62 2.23 -0.24 0.00 0.02 0.00 0.00 61.00 63.63 3dul s PRO 133 Cb -0.15 -2.28 -0.10 0.00 0.02 0.00 0.00 34.50 31.98 3dul s PRO 133 CO 0.55 -1.15 0.93 -0.06 -0.33 0.00 0.00 177.00 176.94 3dul s PHE 134 N -1.30 3.59 -0.14 6.54 0.08 -0.33 -4.91 117.98 121.50 3dul s PHE 134 Ca 0.71 1.72 0.17 0.00 0.12 0.00 0.00 56.93 59.64 3dul s PHE 134 Cb -0.40 -2.89 -0.08 0.00 -0.57 0.00 0.00 43.02 39.08 3dul s PHE 134 CO 0.48 0.13 0.99 -0.44 -0.10 0.00 0.00 175.22 176.28 3dul h ASP 135 N 2.85 0.00 -3.61 1.36 3.32 -1.28 -3.38 116.42 115.67 3dul h ASP 135 Ca -0.47 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.39 3dul h ASP 135 Cb 1.19 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.46 3dul h ASP 135 CO 0.64 0.52 -0.47 0.12 -1.72 0.00 0.00 179.24 178.33 3dul s PHE 136 N -2.97 -0.28 -0.05 4.55 2.19 -1.19 -1.41 117.98 118.82 3dul s PHE 136 Ca -0.01 0.69 0.01 0.00 0.33 0.00 0.00 56.93 57.94 3dul s PHE 136 Cb 0.08 0.07 0.02 0.00 -1.31 0.00 0.00 43.02 41.88 3dul s PHE 136 CO 0.79 -0.17 -0.04 0.42 1.83 0.00 0.00 175.22 178.06 3dul s ILE 137 N 0.62 0.49 -0.17 3.12 1.01 0.21 -1.20 121.20 125.29 3dul s ILE 137 Ca -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 3dul s ILE 137 Cb -0.05 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 3dul s ILE 137 CO -0.04 0.22 -0.11 0.12 0.00 0.00 0.00 174.94 175.14 3dul s PHE 138 N 1.03 2.86 -0.24 3.97 5.36 0.17 -0.70 117.98 130.44 3dul s PHE 138 Ca -0.09 -0.83 -0.03 0.00 -0.96 0.00 0.00 56.93 55.02 3dul s PHE 138 Cb -0.14 -1.94 0.01 0.00 -0.34 0.00 0.00 43.02 40.61 3dul s PHE 138 CO -0.01 -0.37 -0.06 0.42 -1.46 0.00 0.00 175.22 173.74 3dul s ILE 139 N 0.81 3.06 -0.46 3.12 1.01 0.32 -0.66 121.20 128.40 3dul s ILE 139 Ca -0.04 -0.80 0.07 0.00 0.00 0.00 0.00 60.65 59.88 3dul s ILE 139 Cb -0.15 -2.47 0.24 0.00 0.01 0.00 0.00 42.46 40.09 3dul s ILE 139 CO 0.01 0.30 0.56 -0.67 0.00 0.00 0.00 174.94 175.14 3dul n ASP 140 N 4.73 1.04 -1.63 3.58 2.03 -0.52 -0.19 116.55 125.58 3dul n ASP 140 Ca -0.17 -2.86 0.00 0.00 0.52 0.00 0.00 54.79 52.28 3dul n ASP 140 Cb 0.49 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 3dul n ASP 140 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dul n ALA 141 N 1.42 0.00 -1.00 -1.67 0.00 -1.26 -4.45 120.51 113.55 3dul n ALA 141 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3dul n ALA 141 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3dul n ALA 141 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3dul n ASP 142 N -1.00 0.00 0.00 0.00 -0.08 -1.26 -4.92 116.55 109.28 3dul n ASP 142 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3dul n ASP 142 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3dul n ASP 142 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3dul n LYS 143 N 0.00 0.00 0.11 -0.67 3.00 -1.26 -4.82 118.16 114.52 3dul n LYS 143 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 3dul n LYS 143 Cb 0.00 0.00 0.45 0.00 0.00 0.00 0.00 35.03 35.48 3dul n LYS 143 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 3dul n GLN 144 N 0.00 0.22 0.01 1.64 7.27 -1.26 -2.65 117.38 122.61 3dul n GLN 144 Ca 0.00 0.31 0.11 0.00 0.07 0.00 0.00 57.00 57.49 3dul n GLN 144 Cb 0.00 -1.83 -0.10 0.00 2.41 0.00 0.00 30.24 30.72 3dul n GLN 144 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3dul n ASN 145 N -2.23 0.42 -0.19 1.69 5.03 -1.26 -4.55 115.26 114.17 3dul n ASN 145 Ca 0.04 -0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.26 3dul n ASN 145 Cb 0.33 1.39 0.10 0.00 -1.02 0.00 0.00 39.78 40.58 3dul n ASN 145 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 3dul h ASN 146 N 0.00 -0.09 -0.00 6.41 2.35 -1.83 -0.98 115.58 121.43 3dul h ASN 146 Ca 0.00 0.12 0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3dul h ASN 146 Cb 0.83 0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.36 3dul h ASN 146 CO 0.00 -0.03 -0.13 -0.65 -1.65 0.00 0.00 177.43 174.97 3dul h PRO 147 N 0.20 -0.21 0.05 0.81 0.11 -1.80 -1.08 132.00 130.08 3dul h PRO 147 Ca 0.30 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.43 3dul h PRO 147 Cb 0.46 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 3dul h PRO 147 CO -0.43 -0.14 -0.03 0.00 -0.21 0.00 0.00 178.00 177.19 3dul h ALA 148 N 0.74 -0.08 -0.25 -0.75 0.00 -1.75 -2.09 119.26 115.09 3dul h ALA 148 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3dul h ALA 148 Cb 0.28 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3dul h ALA 148 CO -0.13 -0.55 0.09 1.88 0.00 0.00 0.00 179.25 180.54 3dul h TYR 149 N -0.08 0.34 -0.18 0.00 0.05 -1.08 -0.00 116.97 116.01 3dul h TYR 149 Ca -0.00 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 3dul h TYR 149 Cb 0.08 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 37.70 3dul h TYR 149 CO -0.09 0.28 -0.07 0.35 -1.05 0.00 0.00 178.16 177.59 3dul h PHE 150 N 0.35 0.41 -0.68 4.88 3.57 -0.95 0.21 116.94 124.72 3dul h PHE 150 Ca 0.09 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3dul h PHE 150 Cb 0.10 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 3dul h PHE 150 CO 0.00 0.65 0.30 0.93 -2.23 0.00 0.00 178.31 177.96 3dul h GLU 151 N 0.05 0.99 -0.25 1.11 4.39 -0.83 -1.15 114.58 118.90 3dul h GLU 151 Ca 0.04 -0.15 -0.15 0.00 0.34 0.00 0.00 59.36 59.44 3dul h GLU 151 Cb 0.53 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 3dul h GLU 151 CO 0.02 0.79 -0.47 -1.49 -1.16 0.00 0.00 179.01 176.70 3dul h TRP 152 N 0.98 0.80 -0.43 4.33 4.06 -0.84 -1.35 115.95 123.49 3dul h TRP 152 Ca 0.23 -0.26 0.03 0.00 2.06 0.00 0.00 58.89 60.96 3dul h TRP 152 Cb 0.15 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.11 3dul h TRP 152 CO 0.01 1.00 0.23 0.00 -3.56 0.00 0.00 178.44 176.12 3dul h ALA 153 N 0.96 0.54 -0.31 1.49 0.00 0.02 -1.91 119.26 120.06 3dul h ALA 153 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3dul h ALA 153 Cb 1.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3dul h ALA 153 CO 0.09 -0.11 0.15 1.25 0.00 0.00 0.00 179.25 180.64 3dul h LEU 154 N 0.47 0.22 -1.27 0.00 6.46 -1.05 -2.12 115.31 118.03 3dul h LEU 154 Ca 0.18 0.01 0.18 0.00 -0.12 0.00 0.00 57.88 58.13 3dul h LEU 154 Cb 0.05 -0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 39.87 3dul h LEU 154 CO -0.11 0.17 0.60 0.11 -0.62 0.00 0.00 178.44 178.59 3dul h LYS 155 N 0.32 0.61 -0.58 1.25 1.79 -0.70 -1.19 116.57 118.07 3dul h LYS 155 Ca 0.13 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3dul h LYS 155 Cb 0.04 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 3dul h LYS 155 CO -0.09 0.40 0.00 1.28 -1.08 0.00 0.00 179.45 179.97 3dul n LEU 156 N -4.61 5.75 0.00 2.94 4.77 -0.77 -4.96 117.00 120.13 3dul n LEU 156 Ca 0.20 -2.92 -0.22 0.00 -0.03 0.00 0.00 56.01 53.04 3dul n LEU 156 Cb 0.58 -0.69 0.02 0.00 -2.33 0.00 0.00 43.42 41.00 3dul n LEU 156 CO 0.27 0.63 0.13 -1.20 -1.33 0.00 0.00 177.39 175.89 3dul n SER 157 N 0.64 2.40 -4.06 -1.43 7.64 -0.45 -1.19 113.62 117.17 3dul n SER 157 Ca 0.28 -2.61 -0.10 0.00 1.01 0.00 0.00 58.87 57.44 3dul n SER 157 Cb 1.20 -0.12 -0.08 0.00 -1.01 0.00 0.00 64.21 64.20 3dul n SER 157 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dul s ARG 158 N -4.11 1.22 0.08 1.43 1.04 -1.26 -4.81 118.95 112.55 3dul s ARG 158 Ca 0.35 -1.35 -0.33 0.00 -1.04 0.00 0.00 55.73 53.36 3dul s ARG 158 Cb -0.03 0.35 -0.12 0.00 -2.04 0.00 0.00 34.95 33.11 3dul s ARG 158 CO 0.22 -0.44 1.76 -2.30 -0.04 0.00 0.00 175.30 174.50 3dul n PRO 159 N -0.25 2.43 0.00 3.89 -0.02 -1.26 -1.31 135.00 138.48 3dul n PRO 159 Ca -0.03 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3dul n PRO 159 Cb 0.64 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3dul n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dul n GLY 160 N 4.01 1.56 3.75 -1.23 0.00 0.05 -5.00 105.19 108.32 3dul n GLY 160 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3dul n GLY 160 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dul s THR 161 N -2.32 2.05 -0.13 2.61 2.01 -0.42 -4.67 115.64 114.76 3dul s THR 161 Ca 0.00 0.04 -0.13 0.00 0.31 0.00 0.00 61.69 61.91 3dul s THR 161 Cb 0.00 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 3dul s THR 161 CO 0.00 0.01 0.29 -0.69 -0.69 0.00 0.00 174.62 173.54 3dul s VAL 162 N -0.01 5.29 -0.15 3.82 1.01 -0.50 -1.20 120.40 128.65 3dul s VAL 162 Ca 0.63 0.55 0.00 0.00 0.00 0.00 0.00 61.98 63.16 3dul s VAL 162 Cb -0.48 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.31 3dul s VAL 162 CO 0.48 0.45 -0.14 -0.63 0.00 0.00 0.00 175.10 175.26 3dul s ILE 163 N 0.03 1.60 -0.17 2.22 1.01 0.38 -0.62 121.20 125.66 3dul s ILE 163 Ca 0.17 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 3dul s ILE 163 Cb -0.13 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 3dul s ILE 163 CO 0.05 0.43 -0.09 -0.63 0.00 0.00 0.00 174.94 174.71 3dul s ILE 164 N 1.47 3.27 -0.10 2.92 -1.09 0.12 -0.54 121.20 127.26 3dul s ILE 164 Ca 0.04 -0.56 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 3dul s ILE 164 Cb -0.13 -2.43 0.02 0.00 -1.58 0.00 0.00 42.46 38.35 3dul s ILE 164 CO -0.11 0.49 -0.08 -0.83 -1.23 0.00 0.00 174.94 173.18 3dul s GLY 165 N 0.75 0.77 0.30 6.18 0.00 -0.57 -0.52 107.32 114.23 3dul s GLY 165 Ca -0.04 -0.46 -0.29 0.00 0.00 0.00 0.00 44.72 43.94 3dul s GLY 165 CO 0.02 0.66 1.21 0.99 0.00 0.00 0.00 173.10 175.98 3dul s ASP 166 N 1.45 7.00 0.00 1.64 1.01 0.73 -1.08 116.67 127.41 3dul s ASP 166 Ca -0.00 2.49 0.00 0.00 0.71 0.00 0.00 52.55 55.75 3dul s ASP 166 Cb -0.13 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.16 3dul s ASP 166 CO -0.05 -0.36 0.00 -3.20 0.21 0.00 0.00 175.17 171.77 3dul n ASN 167 N 1.03 0.00 -4.06 0.27 5.15 0.43 -4.76 115.26 113.31 3dul n ASN 167 Ca -0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 3dul n ASN 167 Cb 0.43 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.57 3dul n ASN 167 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3dul s VAL 168 N 0.00 0.37 -0.30 3.44 1.01 -1.23 -4.98 120.40 118.72 3dul s VAL 168 Ca 0.00 -1.35 -0.17 0.00 0.00 0.00 0.00 61.98 60.46 3dul s VAL 168 Cb 0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 3dul s VAL 168 CO 0.00 -0.64 0.49 -0.69 0.00 0.00 0.00 175.10 174.26 3dul s VAL 169 N -2.37 5.06 0.00 2.92 1.01 -1.26 -1.55 120.40 124.21 3dul s VAL 169 Ca -0.04 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.56 3dul s VAL 169 Cb -0.03 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.49 3dul s VAL 169 CO -0.03 -0.02 0.00 -2.11 0.00 0.00 0.00 175.10 172.94 3dul n ARG 170 N 5.59 2.20 0.00 2.72 0.00 0.92 -4.90 116.66 123.19 3dul n ARG 170 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 3dul n ARG 170 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.96 3dul n ARG 170 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 3dul n ILE 187 N 0.00 0.00 -0.16 8.89 5.41 -1.26 -0.58 119.36 131.66 3dul n ILE 187 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 3dul n ILE 187 Cb 0.00 0.00 0.15 0.00 -0.71 0.00 0.00 39.64 39.08 3dul n ILE 187 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3dul h ARG 188 N 0.00 0.91 -0.06 0.38 3.08 -2.05 -2.69 114.38 113.95 3dul h ARG 188 Ca 0.00 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 59.74 3dul h ARG 188 Cb 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3dul h ARG 188 CO 0.00 0.83 -0.45 0.00 -1.07 0.00 0.00 179.97 179.28 3dul h ARG 189 N 0.86 0.13 -0.09 0.04 3.08 -2.05 -0.60 114.38 115.75 3dul h ARG 189 Ca 0.18 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.05 3dul h ARG 189 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3dul h ARG 189 CO 0.00 0.56 -0.45 0.35 -1.07 0.00 0.00 179.97 179.37 3dul h PHE 190 N 0.11 0.27 0.01 3.04 3.57 -1.92 -0.08 116.94 121.94 3dul h PHE 190 Ca 0.01 -0.08 -0.23 0.00 3.53 0.00 0.00 57.97 61.20 3dul h PHE 190 Cb 0.84 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 3dul h PHE 190 CO 0.01 0.63 -1.16 1.88 -2.23 0.00 0.00 178.31 177.44 3dul h TYR 191 N 0.18 0.03 -0.32 0.41 0.05 -1.28 -2.54 116.97 113.50 3dul h TYR 191 Ca 0.01 -0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.67 3dul h TYR 191 Cb 0.86 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.59 3dul h TYR 191 CO 0.01 1.02 -0.22 0.93 -1.05 0.00 0.00 178.16 178.85 3dul h GLU 192 N 0.00 0.61 0.59 4.88 5.08 -0.88 0.47 114.58 125.33 3dul h GLU 192 Ca -0.07 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 3dul h GLU 192 Cb 1.83 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 31.05 3dul h GLU 192 CO 0.12 0.79 -0.28 1.25 -1.00 0.00 0.00 179.01 179.89 3dul h LEU 193 N 0.54 -0.67 -0.33 1.33 6.46 -0.96 0.29 115.31 121.97 3dul h LEU 193 Ca 0.08 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.90 3dul h LEU 193 Cb 0.67 0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.74 3dul h LEU 193 CO 0.05 -0.48 0.12 0.40 -0.62 0.00 0.00 178.44 177.91 3dul h ILE 194 N -0.80 0.91 -0.06 4.05 1.08 -1.17 0.99 117.51 122.51 3dul h ILE 194 Ca -0.08 -0.09 0.02 0.00 -0.39 0.00 0.00 64.86 64.32 3dul h ILE 194 Cb 0.61 0.62 -0.00 0.00 -3.07 0.00 0.00 36.82 34.98 3dul h ILE 194 CO 0.13 0.05 0.07 0.00 -0.69 0.00 0.00 178.15 177.71 3dul h ALA 195 N 1.21 1.69 -0.53 1.87 0.00 0.16 0.16 119.26 123.82 3dul h ALA 195 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dul h ALA 195 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3dul h ALA 195 CO -0.15 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.00 3dul n ALA 196 N -2.36 2.82 -3.83 0.00 0.00 0.10 -4.71 120.51 112.54 3dul n ALA 196 Ca -0.01 -1.18 -0.34 0.00 0.00 0.00 0.00 53.44 51.91 3dul n ALA 196 Cb 0.16 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.49 3dul n ALA 196 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3dul s GLU 197 N -1.63 2.12 0.65 0.00 2.56 0.55 -4.96 118.70 117.98 3dul s GLU 197 Ca 0.40 -2.27 0.44 0.00 0.00 0.00 0.00 54.97 53.54 3dul s GLU 197 Cb 0.24 -3.52 2.38 0.00 2.00 0.00 0.00 34.13 35.24 3dul s GLU 197 CO 0.21 -1.10 2.34 -1.35 -0.56 0.00 0.00 175.26 174.81 3dul h PRO 198 N 7.27 0.00 0.00 4.30 0.11 -1.84 -2.49 132.00 139.35 3dul h PRO 198 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3dul h PRO 198 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3dul h PRO 198 CO 0.67 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.00 3dul n ARG 199 N -3.04 0.10 -4.19 1.05 1.74 -1.26 -4.80 116.66 106.26 3dul n ARG 199 Ca -0.03 0.14 -0.14 0.00 -0.77 0.00 0.00 57.85 57.04 3dul n ARG 199 Cb 0.07 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.90 3dul n ARG 199 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3dul s VAL 200 N -2.86 0.97 -0.12 1.55 1.01 -0.94 -0.49 120.40 119.53 3dul s VAL 200 Ca 0.13 -1.72 0.01 0.00 0.00 0.00 0.00 61.98 60.40 3dul s VAL 200 Cb 0.13 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 35.08 3dul s VAL 200 CO 0.35 -0.60 -0.13 -0.55 0.00 0.00 0.00 175.10 174.17 3dul s SER 201 N -2.58 2.40 0.23 3.32 0.15 -0.85 -4.90 113.70 111.47 3dul s SER 201 Ca 0.07 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.32 3dul s SER 201 Cb -0.02 -1.05 -0.04 0.00 -1.71 0.00 0.00 66.02 63.20 3dul s SER 201 CO -0.00 -0.02 0.15 0.00 1.20 0.00 0.00 173.24 174.56 3dul s ALA 202 N 1.21 1.39 0.25 5.45 0.00 -1.26 -1.21 121.76 127.59 3dul s ALA 202 Ca -0.02 -1.77 -0.03 0.00 0.00 0.00 0.00 51.96 50.13 3dul s ALA 202 Cb -0.14 1.34 -0.02 0.00 0.00 0.00 0.00 23.12 24.29 3dul s ALA 202 CO -0.05 -0.57 0.29 -0.08 0.00 0.00 0.00 175.76 175.35 3dul s THR 203 N -3.97 0.00 0.01 0.00 -1.32 -1.26 -5.00 115.64 104.10 3dul s THR 203 Ca 0.39 -1.79 0.03 0.00 -1.21 0.00 0.00 61.69 59.12 3dul s THR 203 Cb 0.06 -2.45 -0.01 0.00 -1.51 0.00 0.00 72.50 68.59 3dul s THR 203 CO 0.15 0.00 -0.11 0.00 -2.21 0.00 0.00 174.62 172.45 3dul s ALA 204 N -3.85 0.89 0.13 11.08 0.00 -1.26 -4.43 121.76 124.32 3dul s ALA 204 Ca 0.34 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 3dul s ALA 204 Cb 0.03 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.99 3dul s ALA 204 CO 0.15 0.18 0.22 1.47 0.00 0.00 0.00 175.76 177.78 3dul n LEU 205 N 2.44 0.00 -3.95 0.00 -0.00 -0.67 -5.01 117.00 109.81 3dul n LEU 205 Ca -0.16 -0.97 -0.09 0.00 -0.00 0.00 0.00 56.01 54.79 3dul n LEU 205 Cb 0.56 1.09 -0.03 0.00 -0.00 0.00 0.00 43.42 45.04 3dul n LEU 205 CO 0.24 -0.26 0.30 0.00 -0.00 0.00 0.00 177.39 177.66 3dul s GLN 206 N -2.17 1.77 0.07 1.47 0.00 -1.26 -0.87 119.66 118.66 3dul s GLN 206 Ca 0.08 -1.31 -0.12 0.00 -0.00 0.00 0.00 55.36 54.02 3dul s GLN 206 Cb -0.01 0.52 0.01 0.00 0.00 0.00 0.00 33.01 33.54 3dul s GLN 206 CO 0.06 -0.77 0.27 -0.08 0.00 0.00 0.00 175.29 174.76 3dul s THR 207 N -3.56 0.10 0.52 3.63 -1.32 -0.89 -4.96 115.64 109.17 3dul s THR 207 Ca 0.20 -0.84 -0.18 0.00 -1.21 0.00 0.00 61.69 59.66 3dul s THR 207 Cb -0.03 -1.07 -0.07 0.00 -1.51 0.00 0.00 72.50 69.82 3dul s THR 207 CO 0.11 -0.46 1.02 0.54 -2.21 0.00 0.00 174.62 173.62 3dul s VAL 208 N -3.07 4.02 0.29 5.08 0.11 -1.26 -0.19 120.40 125.37 3dul s VAL 208 Ca -0.01 1.09 0.04 0.00 -2.93 0.00 0.00 61.98 60.17 3dul s VAL 208 Cb 0.01 -3.50 -0.03 0.00 -1.53 0.00 0.00 36.38 31.33 3dul s VAL 208 CO -0.07 -0.43 0.23 -0.83 -3.33 0.00 0.00 175.10 170.67 3dul s GLY 209 N -2.51 2.03 0.29 6.54 0.00 -0.14 -4.58 107.32 108.95 3dul s GLY 209 Ca 0.64 -1.95 -0.03 0.00 0.00 0.00 0.00 44.72 43.38 3dul s GLY 209 CO 0.27 -1.44 1.95 1.48 0.00 0.00 0.00 173.10 175.36 3dul h SER 210 N 2.30 1.00 -1.37 1.64 4.64 -1.08 -3.07 113.55 117.61 3dul h SER 210 Ca -0.29 -0.02 -0.64 0.00 -0.47 0.00 0.00 61.79 60.38 3dul h SER 210 Cb 1.24 -0.24 -0.37 0.00 -0.31 0.00 0.00 62.40 62.72 3dul h SER 210 CO 0.42 0.71 -0.09 0.29 -0.87 0.00 0.00 176.83 177.29 3dul n LYS 211 N -4.42 3.21 0.00 4.77 5.02 -1.26 -5.01 118.16 120.47 3dul n LYS 211 Ca 0.11 -4.02 0.00 0.00 -2.02 0.00 0.00 58.31 52.38 3dul n LYS 211 Cb 0.05 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 32.79 3dul n LYS 211 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dul n GLY 212 N -0.61 -2.63 3.78 0.72 0.00 -1.16 -4.75 105.19 100.53 3dul n GLY 212 Ca 0.47 -2.17 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 3dul n GLY 212 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dul s TYR 213 N -0.82 3.74 -0.33 1.61 1.51 0.25 -0.97 117.35 122.35 3dul s TYR 213 Ca 0.00 1.77 -0.12 0.00 -1.01 0.00 0.00 57.07 57.71 3dul s TYR 213 Cb 0.00 -2.90 -0.02 0.00 -0.11 0.00 0.00 41.96 38.93 3dul s TYR 213 CO 0.00 0.27 0.22 -0.51 -1.11 0.00 0.00 175.55 174.42 3dul s ASP 214 N -1.54 5.98 -0.03 2.29 1.11 0.73 -0.05 116.67 125.16 3dul s ASP 214 Ca 0.48 -0.42 -0.15 0.00 0.18 0.00 0.00 52.55 52.64 3dul s ASP 214 Cb -0.20 -2.12 -0.05 0.00 1.07 0.00 0.00 42.92 41.62 3dul s ASP 214 CO 0.25 -0.22 0.41 -0.83 1.18 0.00 0.00 175.17 175.96 3dul s GLY 215 N 1.71 2.45 0.05 0.21 0.00 -0.60 -2.08 107.32 109.06 3dul s GLY 215 Ca 0.06 -0.22 -0.17 0.00 0.00 0.00 0.00 44.72 44.39 3dul s GLY 215 CO 0.10 0.28 0.38 -0.11 0.00 0.00 0.00 173.10 173.74 3dul s PHE 216 N -0.69 -0.21 0.00 1.90 -0.71 -0.05 -0.43 117.98 117.79 3dul s PHE 216 Ca 0.24 0.13 0.00 0.00 -1.04 0.00 0.00 56.93 56.25 3dul s PHE 216 Cb -0.16 0.18 0.00 0.00 -1.21 0.00 0.00 43.02 41.83 3dul s PHE 216 CO 0.12 -0.56 0.00 1.51 -1.34 0.00 0.00 175.22 174.95 3dul n ILE 217 N 0.48 0.00 0.00 -4.49 3.06 -0.25 -1.67 119.36 116.50 3dul n ILE 217 Ca -0.18 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.07 3dul n ILE 217 Cb 0.60 -1.08 0.00 0.00 0.54 0.00 0.00 39.64 39.69 3dul n ILE 217 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3dul n ALA 219 N -3.00 0.00 -3.42 1.51 0.00 0.29 -1.52 120.51 114.38 3dul n ALA 219 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3dul n ALA 219 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 3dul n ALA 219 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dul s VAL 220 N -2.00 1.32 0.12 0.00 1.01 -0.35 -0.47 120.40 120.03 3dul s VAL 220 Ca 0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 3dul s VAL 220 Cb 0.00 -1.19 -0.07 0.00 0.00 0.00 0.00 36.38 35.12 3dul s VAL 220 CO 0.00 0.40 1.16 -0.69 0.00 0.00 0.00 175.10 175.97 3dul s VAL 221 N 0.61 3.92 -2.22 2.92 1.01 -0.34 -2.02 120.40 124.28 3dul s VAL 221 Ca -0.15 1.49 0.30 0.00 0.00 0.00 0.00 61.98 63.62 3dul s VAL 221 Cb -0.16 -3.96 0.75 0.00 0.00 0.00 0.00 36.38 33.01 3dul s VAL 221 CO 0.05 0.18 2.02 0.29 0.00 0.00 0.00 175.10 177.63