#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oup s PRO 20 N 0.00 2.85 0.20 0.00 0.02 -1.25 -4.93 135.00 131.89 1oup s PRO 20 Ca 0.00 1.56 -0.32 0.00 0.02 0.00 0.00 61.00 62.26 1oup s PRO 20 Cb 0.00 -1.94 -0.12 0.00 0.02 0.00 0.00 34.50 32.46 1oup s PRO 20 CO 0.00 -1.24 1.72 -2.14 -0.33 0.00 0.00 177.00 175.01 1oup s PRO 21 N -3.77 4.13 -0.02 5.54 0.02 -1.26 -4.89 135.00 134.74 1oup s PRO 21 Ca 0.71 2.60 0.21 0.00 0.02 0.00 0.00 61.00 64.54 1oup s PRO 21 Cb -0.24 -3.10 -0.28 0.00 0.02 0.00 0.00 34.50 30.90 1oup s PRO 21 CO 0.37 -0.75 0.50 -1.13 -0.33 0.00 0.00 177.00 175.66 1oup n SER 22 N 4.07 0.13 -4.44 2.53 3.41 -1.26 -4.83 113.62 113.23 1oup n SER 22 Ca 0.16 0.05 -0.22 0.00 -0.26 0.00 0.00 58.87 58.60 1oup n SER 22 Cb 0.35 1.61 -0.10 0.00 -0.26 0.00 0.00 64.21 65.81 1oup n SER 22 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1oup s SER 23 N -4.81 3.30 0.25 4.04 1.04 -1.26 -4.67 113.70 111.58 1oup s SER 23 Ca -0.07 -1.04 -0.05 0.00 0.48 0.00 0.00 55.95 55.27 1oup s SER 23 Cb 0.12 -0.25 0.31 0.00 0.10 0.00 0.00 66.02 66.30 1oup s SER 23 CO 0.88 -0.04 1.89 0.15 0.98 0.00 0.00 173.24 177.11 1oup h PHE 24 N 2.34 1.16 -0.45 5.02 3.57 -1.83 -0.71 116.94 126.03 1oup h PHE 24 Ca -0.40 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.08 1oup h PHE 24 Cb 1.25 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 1oup h PHE 24 CO 0.78 0.67 0.07 1.03 -2.23 0.00 0.00 178.31 178.63 1oup h SER 25 N 1.20 0.65 -0.10 0.41 0.87 -1.95 -1.35 113.55 113.28 1oup h SER 25 Ca 0.38 -0.12 -0.22 0.00 -1.23 0.00 0.00 61.79 60.60 1oup h SER 25 Cb 0.01 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1oup h SER 25 CO -0.12 0.68 -0.78 0.00 -0.53 0.00 0.00 176.83 176.07 1oup h ALA 26 N 1.41 0.34 -0.81 6.23 0.00 -1.70 -2.99 119.26 121.74 1oup h ALA 26 Ca 0.15 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1oup h ALA 26 Cb 0.31 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1oup h ALA 26 CO 0.00 0.69 0.53 0.00 0.00 0.00 0.00 179.25 180.47 1oup h ALA 27 N 0.59 1.02 -0.07 0.00 0.00 -0.85 -1.31 119.26 118.64 1oup h ALA 27 Ca -0.05 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1oup h ALA 27 Cb 1.41 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1oup h ALA 27 CO 0.16 0.45 -0.07 0.87 0.00 0.00 0.00 179.25 180.65 1oup h LYS 28 N 1.10 -0.09 -0.75 0.00 1.57 -1.18 0.50 116.57 117.71 1oup h LYS 28 Ca 0.29 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.13 1oup h LYS 28 Cb -0.11 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 1oup h LYS 28 CO -0.06 -0.06 0.46 -0.56 -0.57 0.00 0.00 179.45 178.66 1oup h GLN 29 N -0.10 0.85 -0.93 3.15 3.07 -1.30 0.16 115.11 120.00 1oup h GLN 29 Ca 0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 58.65 58.74 1oup h GLN 29 Cb 0.17 -0.19 -0.04 0.00 0.08 0.00 0.00 27.48 27.50 1oup h GLN 29 CO -0.13 0.56 0.56 1.96 0.09 0.00 0.00 178.83 181.87 1oup h GLN 30 N 0.87 1.27 -0.85 0.06 1.08 -0.51 -2.32 115.11 114.71 1oup h GLN 30 Ca 0.32 -0.12 0.01 0.00 -1.45 0.00 0.00 58.65 57.41 1oup h GLN 30 Cb 0.10 -0.26 -0.04 0.00 -0.05 0.00 0.00 27.48 27.22 1oup h GLN 30 CO -0.14 0.89 0.55 0.00 -0.95 0.00 0.00 178.83 179.18 1oup h ALA 31 N 1.31 1.38 -0.57 3.87 0.00 0.27 -0.85 119.26 124.66 1oup h ALA 31 Ca 0.33 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1oup h ALA 31 Cb -0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 1oup h ALA 31 CO -0.06 0.57 0.23 0.28 0.00 0.00 0.00 179.25 180.27 1oup h VAL 32 N 1.15 1.22 -0.40 0.00 2.07 -0.55 -1.04 116.25 118.71 1oup h VAL 32 Ca 0.31 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1oup h VAL 32 Cb -0.12 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1oup h VAL 32 CO -0.07 0.27 0.16 0.11 0.02 0.00 0.00 177.57 178.06 1oup h LYS 33 N 0.78 0.59 -0.83 1.57 1.79 -0.91 -2.45 116.57 117.11 1oup h LYS 33 Ca 0.19 -0.10 0.03 0.00 -2.18 0.00 0.00 60.65 58.58 1oup h LYS 33 Cb 0.19 -0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 30.70 1oup h LYS 33 CO -0.02 0.55 0.54 0.82 -1.08 0.00 0.00 179.45 180.27 1oup h ILE 34 N 0.50 1.15 -0.28 1.86 2.04 -0.91 -2.50 117.51 119.37 1oup h ILE 34 Ca 0.13 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1oup h ILE 34 Cb 0.18 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1oup h ILE 34 CO -0.01 0.19 0.00 -1.22 0.00 0.00 0.00 178.15 177.11 1oup n TYR 35 N -4.55 0.65 -0.14 1.37 4.02 -0.42 -4.44 117.16 113.65 1oup n TYR 35 Ca 0.10 -0.26 -0.05 0.00 -0.01 0.00 0.00 57.90 57.68 1oup n TYR 35 Cb 0.07 -0.13 0.04 0.00 -0.02 0.00 0.00 39.34 39.29 1oup n TYR 35 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1oup h GLN 36 N 1.78 0.37 -0.72 -0.72 1.08 -0.97 -2.08 115.11 113.85 1oup h GLN 36 Ca 0.00 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 1oup h GLN 36 Cb 0.76 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 28.07 1oup h GLN 36 CO 0.10 0.25 0.08 -0.40 -0.95 0.00 0.00 178.83 177.91 1oup n ASP 37 N -4.96 4.59 -3.06 1.46 5.75 -1.26 -4.31 116.55 114.77 1oup n ASP 37 Ca 0.03 -2.82 -0.17 0.00 -0.01 0.00 0.00 54.79 51.83 1oup n ASP 37 Cb 0.14 -0.67 -0.01 0.00 -1.03 0.00 0.00 41.12 39.56 1oup n ASP 37 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1oup n HIS 38 N 0.30 -0.91 -2.29 2.11 -0.00 -0.78 -5.05 115.22 108.59 1oup n HIS 38 Ca 0.26 -3.22 -0.43 0.00 0.46 0.00 0.00 57.72 54.79 1oup n HIS 38 Cb 1.07 0.20 0.00 0.00 -0.12 0.00 0.00 29.99 31.14 1oup n HIS 38 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1oup n PRO 39 N 0.70 3.11 -3.71 1.57 -0.04 -1.22 -4.87 135.00 130.54 1oup n PRO 39 Ca 0.19 -3.09 -0.16 0.00 -0.04 0.00 0.00 63.50 60.40 1oup n PRO 39 Cb 0.63 -3.36 -0.16 0.00 -0.04 0.00 0.00 33.50 30.57 1oup n PRO 39 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1oup s ILE 40 N 3.48 -0.14 0.36 0.52 1.01 -1.26 -0.74 121.20 124.44 1oup s ILE 40 Ca 0.50 0.29 -0.26 0.00 0.00 0.00 0.00 60.65 61.18 1oup s ILE 40 Cb 0.07 -0.22 -0.12 0.00 0.01 0.00 0.00 42.46 42.20 1oup s ILE 40 CO 0.01 0.12 0.96 -0.24 0.00 0.00 0.00 174.94 175.79 1oup n SER 41 N 4.78 1.03 -0.02 3.58 2.88 0.69 -4.84 113.62 121.72 1oup n SER 41 Ca -0.15 1.08 -0.12 0.00 -1.33 0.00 0.00 58.87 58.35 1oup n SER 41 Cb 0.50 -1.30 -0.08 0.00 -0.75 0.00 0.00 64.21 62.59 1oup n SER 41 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1oup h PHE 42 N 1.65 0.16 0.00 0.66 3.57 -0.68 -2.84 116.94 119.46 1oup h PHE 42 Ca -0.42 -0.03 -0.16 0.00 3.53 0.00 0.00 57.97 60.89 1oup h PHE 42 Cb 1.35 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.02 1oup h PHE 42 CO 0.44 0.44 -0.98 1.88 -2.23 0.00 0.00 178.31 177.86 1oup h TYR 43 N -0.17 0.00 -0.13 0.41 -1.99 -1.92 -3.40 116.97 109.77 1oup h TYR 43 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1oup h TYR 43 Cb 0.38 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.11 1oup h TYR 43 CO 0.04 1.13 0.00 0.00 -0.00 0.00 0.00 178.16 179.34 1oup n GLY 45 N 1.24 -0.51 3.81 0.00 0.00 -1.07 -4.92 105.19 103.74 1oup n GLY 45 Ca 0.17 0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.95 1oup n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oup s ASP 47 N -1.32 6.27 0.11 0.00 1.01 -1.26 -0.22 116.67 121.25 1oup s ASP 47 Ca 0.35 3.00 0.10 0.00 0.71 0.00 0.00 52.55 56.71 1oup s ASP 47 Cb -0.19 -2.66 -0.04 0.00 1.01 0.00 0.00 42.92 41.04 1oup s ASP 47 CO 0.21 -0.92 -0.23 -0.63 0.21 0.00 0.00 175.17 173.82 1oup s ILE 48 N -1.14 2.49 -0.23 0.77 1.01 0.08 -1.05 121.20 123.13 1oup s ILE 48 Ca 0.54 -1.58 0.02 0.00 0.00 0.00 0.00 60.65 59.64 1oup s ILE 48 Cb -0.45 -2.10 0.05 0.00 0.01 0.00 0.00 42.46 39.97 1oup s ILE 48 CO 0.61 0.15 -0.11 -0.70 0.00 0.00 0.00 174.94 174.89 1oup s GLU 49 N -1.93 2.19 -0.03 2.79 2.12 -0.33 -4.78 118.70 118.73 1oup s GLU 49 Ca 0.15 -1.12 -0.30 0.00 0.36 0.00 0.00 54.97 54.07 1oup s GLU 49 Cb -0.10 -2.70 -0.02 0.00 0.26 0.00 0.00 34.13 31.56 1oup s GLU 49 CO 0.07 -0.50 0.98 -1.58 -0.54 0.00 0.00 175.26 173.69 1oup s TRP 50 N 1.24 3.61 -0.35 5.30 0.52 -1.26 -1.93 118.94 126.07 1oup s TRP 50 Ca -0.05 1.66 0.03 0.00 0.02 0.00 0.00 56.10 57.76 1oup s TRP 50 Cb -0.18 -3.14 0.10 0.00 -1.15 0.00 0.00 33.47 29.11 1oup s TRP 50 CO -0.07 -0.08 0.08 -0.65 0.02 0.00 0.00 176.95 176.26 1oup s GLN 51 N 1.32 1.33 7.68 4.98 -0.21 0.30 -5.00 119.66 130.05 1oup s GLN 51 Ca 0.51 -1.75 0.00 0.00 0.02 0.00 0.00 55.36 54.14 1oup s GLN 51 Cb -0.20 -2.91 0.00 0.00 1.00 0.00 0.00 33.01 30.90 1oup s GLN 51 CO 0.25 -0.97 0.00 0.41 -2.12 0.00 0.00 175.29 172.86 1oup n GLY 52 N 4.29 3.32 0.69 3.09 0.00 -1.26 -1.23 105.19 114.08 1oup n GLY 52 Ca 0.03 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1oup n GLY 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1oup n LYS 53 N 11.20 1.46 -3.99 1.61 5.02 -1.26 -4.98 118.16 127.22 1oup n LYS 53 Ca 0.00 -1.51 -0.21 0.00 -2.02 0.00 0.00 58.31 54.57 1oup n LYS 53 Cb 0.00 -1.34 -0.02 0.00 -0.02 0.00 0.00 35.03 33.65 1oup n LYS 53 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1oup s LYS 54 N -1.50 3.37 -0.02 1.97 1.02 -0.37 -4.99 119.74 119.22 1oup s LYS 54 Ca 0.20 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.44 1oup s LYS 54 Cb 0.15 -2.85 -0.00 0.00 -0.52 0.00 0.00 37.83 34.60 1oup s LYS 54 CO 0.23 0.43 -0.10 0.20 -0.92 0.00 0.00 175.35 175.19 1oup s GLY 55 N -3.91 0.55 -0.13 -3.33 0.00 -1.26 -0.54 107.32 98.70 1oup s GLY 55 Ca 0.34 -0.42 0.02 0.00 0.00 0.00 0.00 44.72 44.66 1oup s GLY 55 CO 0.28 -0.25 -0.20 -0.42 0.00 0.00 0.00 173.10 172.52 1oup s ILE 56 N -0.03 1.89 0.30 0.90 1.01 -0.81 -0.60 121.20 123.86 1oup s ILE 56 Ca 0.00 -0.87 -0.13 0.00 0.00 0.00 0.00 60.65 59.65 1oup s ILE 56 Cb -0.07 -1.69 -0.08 0.00 0.01 0.00 0.00 42.46 40.64 1oup s ILE 56 CO 0.00 0.52 0.69 -2.16 0.00 0.00 0.00 174.94 173.98 1oup s PRO 57 N 0.92 3.92 -0.66 2.79 0.04 -1.26 -1.18 135.00 139.57 1oup s PRO 57 Ca -0.06 0.54 -0.19 0.00 0.04 0.00 0.00 61.00 61.33 1oup s PRO 57 Cb -0.15 -2.49 0.11 0.00 0.04 0.00 0.00 34.50 32.02 1oup s PRO 57 CO -0.03 0.18 0.79 1.21 0.04 0.00 0.00 177.00 179.19 1oup s ASN 58 N -2.39 6.28 0.40 6.66 3.84 -0.21 -4.86 114.94 124.66 1oup s ASN 58 Ca 0.52 -1.57 0.19 0.00 0.21 0.00 0.00 52.86 52.20 1oup s ASN 58 Cb -0.10 -2.32 0.82 0.00 -0.55 0.00 0.00 41.25 39.10 1oup s ASN 58 CO 0.20 -1.10 1.81 -0.07 -2.79 0.00 0.00 177.10 175.15 1oup h LEU 59 N 9.98 0.00 -0.07 3.21 3.38 -1.93 -3.26 115.31 126.63 1oup h LEU 59 Ca -0.21 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1oup h LEU 59 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1oup h LEU 59 CO 1.08 0.33 -0.06 -0.08 0.09 0.00 0.00 178.44 179.80 1oup h GLU 60 N 0.00 0.17 0.00 1.13 4.81 -1.89 -1.23 114.58 117.57 1oup h GLU 60 Ca -0.00 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1oup h GLU 60 Cb 0.74 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 1oup h GLU 60 CO 0.04 0.60 -0.03 1.79 -0.73 0.00 0.00 179.01 180.68 1oup h THR 61 N -0.26 0.08 -0.67 0.32 1.35 -1.99 -2.57 112.91 109.18 1oup h THR 61 Ca 0.01 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1oup h THR 61 Cb 0.56 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1oup h THR 61 CO 0.02 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.31 1oup n GLY 63 N 1.41 -0.53 3.71 0.00 0.00 -0.97 -4.47 105.19 104.34 1oup n GLY 63 Ca 0.23 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 1oup n GLY 63 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1oup s TYR 64 N -3.19 3.64 -0.30 1.61 5.04 -0.48 -1.24 117.35 122.43 1oup s TYR 64 Ca 0.40 1.68 -0.15 0.00 -2.44 0.00 0.00 57.07 56.55 1oup s TYR 64 Cb -0.18 -3.12 -0.03 0.00 0.35 0.00 0.00 41.96 38.98 1oup s TYR 64 CO 0.49 -0.03 0.38 -1.14 -1.34 0.00 0.00 175.55 173.91 1oup s GLN 65 N 1.10 3.83 0.28 4.97 2.00 -0.64 -4.82 119.66 126.39 1oup s GLN 65 Ca 0.51 -0.13 -0.29 0.00 -2.00 0.00 0.00 55.36 53.45 1oup s GLN 65 Cb -0.21 -3.72 -0.10 0.00 0.80 0.00 0.00 33.01 29.79 1oup s GLN 65 CO 0.27 -0.40 1.27 0.08 -0.50 0.00 0.00 175.29 176.01 1oup s VAL 66 N 2.09 3.01 -0.19 1.34 1.01 -1.26 -4.66 120.40 121.73 1oup s VAL 66 Ca 0.14 0.96 -0.22 0.00 0.00 0.00 0.00 61.98 62.86 1oup s VAL 66 Cb -0.16 -3.61 -0.21 0.00 0.00 0.00 0.00 36.38 32.40 1oup s VAL 66 CO 0.11 0.20 0.32 -0.09 0.00 0.00 0.00 175.10 175.65 1oup h ARG 67 N 4.05 0.01 0.00 2.72 2.43 -1.97 -3.47 114.38 118.15 1oup h ARG 67 Ca -0.47 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1oup h ARG 67 Cb 1.22 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1oup h ARG 67 CO 0.69 1.01 0.00 0.36 -1.51 0.00 0.00 179.97 180.52 1oup n LYS 68 N -4.42 0.00 -3.57 0.20 2.85 -1.26 -5.04 118.16 106.92 1oup n LYS 68 Ca -0.28 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.71 1oup n LYS 68 Cb 0.66 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.94 1oup n LYS 68 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1oup n GLN 69 N 0.00 1.36 -0.21 -1.58 6.02 -1.26 -4.96 117.38 116.75 1oup n GLN 69 Ca 0.00 -3.99 0.02 0.00 -0.01 0.00 0.00 57.00 53.02 1oup n GLN 69 Cb 0.23 -1.97 0.13 0.00 1.02 0.00 0.00 30.24 29.65 1oup n GLN 69 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1oup h GLN 70 N 5.02 0.24 -0.35 -1.09 5.75 -1.96 -0.98 115.11 121.74 1oup h GLN 70 Ca 0.18 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1oup h GLN 70 Cb 0.79 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.27 1oup h GLN 70 CO 0.61 0.16 0.21 1.15 -2.65 0.00 0.00 178.83 178.31 1oup h THR 71 N 0.25 1.13 -0.69 2.39 2.02 -1.98 -1.93 112.91 114.10 1oup h THR 71 Ca 0.34 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 1oup h THR 71 Cb 0.53 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1oup h THR 71 CO -0.44 0.13 0.28 0.03 0.37 0.00 0.00 175.52 175.88 1oup h ARG 72 N 0.45 1.03 -0.28 6.66 2.47 -1.85 -2.83 114.38 120.03 1oup h ARG 72 Ca 0.13 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.64 1oup h ARG 72 Cb 0.03 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.16 1oup h ARG 72 CO -0.02 0.85 0.09 0.00 0.56 0.00 0.00 179.97 181.45 1oup h ALA 73 N 1.13 1.64 0.00 0.04 0.00 -0.82 -2.58 119.26 118.66 1oup h ALA 73 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1oup h ALA 73 Cb 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1oup h ALA 73 CO -0.02 0.28 0.00 0.43 0.00 0.00 0.00 179.25 179.94 1oup n SER 74 N -4.40 0.00 -4.20 0.00 7.64 -0.76 -4.39 113.62 107.51 1oup n SER 74 Ca 0.01 -1.30 -0.12 0.00 1.01 0.00 0.00 58.87 58.47 1oup n SER 74 Cb 0.15 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.25 1oup n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oup s ARG 75 N -2.00 0.96 -0.08 1.43 1.70 -0.99 -4.23 118.95 115.74 1oup s ARG 75 Ca 0.25 -1.42 -0.12 0.00 -0.47 0.00 0.00 55.73 53.98 1oup s ARG 75 Cb 0.12 -0.29 -0.05 0.00 -0.57 0.00 0.00 34.95 34.16 1oup s ARG 75 CO 0.20 -0.04 0.29 0.42 -1.08 0.00 0.00 175.30 175.08 1oup s ILE 76 N -3.59 5.26 -0.03 4.99 -1.09 0.24 -0.80 121.20 126.18 1oup s ILE 76 Ca 0.16 0.55 0.05 0.00 -2.23 0.00 0.00 60.65 59.18 1oup s ILE 76 Cb 0.05 -3.58 -0.01 0.00 -1.58 0.00 0.00 42.46 37.34 1oup s ILE 76 CO -0.01 0.54 -0.18 -1.61 -1.23 0.00 0.00 174.94 172.45 1oup s GLU 77 N -0.67 1.65 -0.05 2.79 2.02 -0.06 -4.62 118.70 119.77 1oup s GLU 77 Ca 0.19 -0.65 -0.30 0.00 0.02 0.00 0.00 54.97 54.23 1oup s GLU 77 Cb -0.14 -1.51 -0.04 0.00 0.10 0.00 0.00 34.13 32.54 1oup s GLU 77 CO 0.08 0.33 1.29 -1.58 0.02 0.00 0.00 175.26 175.40 1oup s TRP 78 N -0.23 3.01 -0.13 1.61 0.52 -1.26 -1.73 118.94 120.74 1oup s TRP 78 Ca 0.02 1.03 -0.20 0.00 0.02 0.00 0.00 56.10 56.97 1oup s TRP 78 Cb -0.09 -3.53 -0.04 0.00 -1.15 0.00 0.00 33.47 28.67 1oup s TRP 78 CO 0.01 -1.81 0.57 -2.00 0.02 0.00 0.00 176.95 173.74 1oup s GLU 79 N 2.44 4.33 -0.60 4.98 2.56 0.20 -4.90 118.70 127.71 1oup s GLU 79 Ca 0.59 0.60 -0.19 0.00 0.00 0.00 0.00 54.97 55.96 1oup s GLU 79 Cb -0.27 -3.48 0.10 0.00 2.00 0.00 0.00 34.13 32.49 1oup s GLU 79 CO 0.23 0.03 0.72 0.00 -0.56 0.00 0.00 175.26 175.68 1oup s ALA 80 N 1.00 3.40 0.19 6.30 0.00 -1.26 -1.67 121.76 129.72 1oup s ALA 80 Ca 0.29 -2.22 -0.23 0.00 0.00 0.00 0.00 51.96 49.81 1oup s ALA 80 Cb -0.16 -3.55 0.11 0.00 0.00 0.00 0.00 23.12 19.51 1oup s ALA 80 CO 0.12 -2.38 1.57 0.28 0.00 0.00 0.00 175.76 175.34 1oup h VAL 81 N 5.92 0.08 -3.46 0.00 2.07 -1.49 -2.96 116.25 116.42 1oup h VAL 81 Ca -0.29 0.00 -0.61 0.00 0.82 0.00 0.00 66.70 66.62 1oup h VAL 81 Cb 1.09 0.08 -0.11 0.00 -1.52 0.00 0.00 31.29 30.82 1oup h VAL 81 CO 1.11 0.00 0.27 -0.69 0.02 0.00 0.00 177.57 178.27 1oup s VAL 82 N -5.88 4.89 0.48 2.57 1.01 -1.26 -5.01 120.40 117.19 1oup s VAL 82 Ca -0.14 1.11 -0.24 0.00 0.00 0.00 0.00 61.98 62.71 1oup s VAL 82 Cb 0.16 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 1oup s VAL 82 CO 0.68 -0.12 1.40 -2.84 0.00 0.00 0.00 175.10 174.22 1oup s PRO 83 N 2.72 3.53 0.29 2.72 0.02 -1.12 -4.91 135.00 138.25 1oup s PRO 83 Ca 0.29 2.35 0.03 0.00 0.02 0.00 0.00 61.00 63.68 1oup s PRO 83 Cb -0.15 -2.54 0.62 0.00 0.02 0.00 0.00 34.50 32.45 1oup s PRO 83 CO 0.11 -0.92 1.81 0.00 -0.33 0.00 0.00 177.00 177.67 1oup h ALA 84 N 2.07 1.56 -0.98 -1.55 0.00 -1.95 -0.25 119.26 118.17 1oup h ALA 84 Ca -0.51 0.05 0.18 0.00 0.00 0.00 0.00 54.91 54.62 1oup h ALA 84 Cb 1.28 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 1oup h ALA 84 CO 0.60 0.11 0.61 2.35 0.00 0.00 0.00 179.25 182.93 1oup h TRP 85 N 0.90 0.96 -0.25 0.00 7.01 -1.96 -1.82 115.95 120.79 1oup h TRP 85 Ca 0.53 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 61.44 1oup h TRP 85 Cb 0.65 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 1oup h TRP 85 CO -0.01 0.26 -0.33 0.37 -2.79 0.00 0.00 178.44 175.95 1oup h GLN 86 N 0.73 0.53 -0.48 2.65 4.15 -1.39 -1.04 115.11 120.26 1oup h GLN 86 Ca 0.53 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.72 1oup h GLN 86 Cb 0.87 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.54 1oup h GLN 86 CO -0.30 0.79 0.00 1.97 -1.93 0.00 0.00 178.83 179.36 1oup n PHE 87 N -4.07 1.18 0.00 3.99 1.16 -0.89 -4.57 117.46 114.25 1oup n PHE 87 Ca -0.01 -0.67 0.00 0.00 -1.87 0.00 0.00 57.45 54.90 1oup n PHE 87 Cb 0.46 -0.24 0.00 0.00 -1.61 0.00 0.00 39.48 38.09 1oup n PHE 87 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1oup n GLY 88 N 0.52 0.19 0.26 4.97 0.00 -0.74 -4.88 105.19 105.51 1oup n GLY 88 Ca 0.22 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.32 1oup n GLY 88 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1oup h HIS 89 N 0.00 0.00 0.00 1.61 2.07 -1.38 -1.98 115.15 115.47 1oup h HIS 89 Ca 0.00 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.40 1oup h HIS 89 Cb 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.96 1oup h HIS 89 CO 0.00 0.02 -0.55 1.12 -3.07 0.00 0.00 177.93 175.44 1oup h HIS 90 N 0.00 0.00 -4.12 6.12 2.07 -1.89 -3.39 115.15 113.93 1oup h HIS 90 Ca -0.00 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 56.97 1oup h HIS 90 Cb 0.03 0.00 0.17 0.00 2.57 0.00 0.00 27.41 30.19 1oup h HIS 90 CO 0.00 0.55 0.38 0.54 -3.07 0.00 0.00 177.93 176.34 1oup n ARG 91 N -3.49 0.56 -0.25 5.12 1.74 -0.74 -4.87 116.66 114.74 1oup n ARG 91 Ca 0.00 0.26 -0.08 0.00 -0.77 0.00 0.00 57.85 57.26 1oup n ARG 91 Cb 0.65 -2.46 0.04 0.00 -1.02 0.00 0.00 32.46 29.68 1oup n ARG 91 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1oup h GLN 92 N -0.31 1.13 -0.24 5.56 4.15 -1.89 -2.34 115.11 121.18 1oup h GLN 92 Ca -0.48 -0.29 0.06 0.00 0.77 0.00 0.00 58.65 58.71 1oup h GLN 92 Cb 1.32 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 1oup h GLN 92 CO 0.49 1.02 0.17 0.00 -1.93 0.00 0.00 178.83 178.58 1oup h TRP 94 N 0.03 0.57 -0.46 0.00 2.91 -1.58 -2.16 115.95 115.26 1oup h TRP 94 Ca 0.11 -0.37 0.11 0.00 1.13 0.00 0.00 58.89 59.87 1oup h TRP 94 Cb 0.40 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 28.99 1oup h TRP 94 CO -0.00 1.24 0.32 0.37 -1.03 0.00 0.00 178.44 179.34 1oup h GLN 95 N -0.26 0.12 0.00 2.65 -0.00 -0.91 0.28 115.11 116.99 1oup h GLN 95 Ca -0.11 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.52 1oup h GLN 95 Cb 1.50 -0.03 -0.00 0.00 0.00 0.00 0.00 27.48 28.95 1oup h GLN 95 CO 0.14 0.08 -0.05 0.87 0.00 0.00 0.00 178.83 179.87 1oup h LYS 96 N 0.13 0.00 -0.51 1.69 1.57 -1.26 -3.43 116.57 114.76 1oup h LYS 96 Ca 0.22 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.73 1oup h LYS 96 Cb 0.69 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 32.67 1oup h LYS 96 CO -0.03 0.44 -0.93 0.41 -0.57 0.00 0.00 179.45 178.77 1oup n GLY 97 N 1.70 1.67 7.00 3.86 0.00 -0.82 -5.08 105.19 113.53 1oup n GLY 97 Ca -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1oup n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oup n GLY 98 N -0.55 0.86 0.35 -0.02 0.00 0.97 -2.19 105.19 104.61 1oup n GLY 98 Ca 0.03 -0.68 0.04 0.00 0.00 0.00 0.00 46.02 45.41 1oup n GLY 98 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1oup h ARG 99 N 0.00 0.87 -0.50 1.61 2.43 -1.87 -2.49 114.38 114.44 1oup h ARG 99 Ca 0.00 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1oup h ARG 99 Cb 0.00 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.30 1oup h ARG 99 CO 0.00 0.58 0.23 0.87 -1.51 0.00 0.00 179.97 180.14 1oup h LYS 100 N 0.90 0.43 0.09 0.20 6.56 -1.93 0.36 116.57 123.19 1oup h LYS 100 Ca 0.32 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.88 1oup h LYS 100 Cb 0.12 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.69 1oup h LYS 100 CO -0.10 0.29 -0.05 -0.97 -2.06 0.00 0.00 179.45 176.56 1oup h ASN 101 N 0.44 -0.11 -0.49 0.86 -0.73 -0.98 -2.62 115.58 111.96 1oup h ASN 101 Ca 0.23 -0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.34 1oup h ASN 101 Cb 0.18 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.78 1oup h ASN 101 CO -0.19 -0.04 0.17 0.00 -0.37 0.00 0.00 177.43 177.00 1oup h SER 103 N 0.66 0.66 0.98 0.00 0.87 -0.21 -2.26 113.55 114.25 1oup h SER 103 Ca 0.16 0.07 -0.21 0.00 -1.23 0.00 0.00 61.79 60.58 1oup h SER 103 Cb 0.24 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 1oup h SER 103 CO -0.01 0.32 -1.04 0.50 -0.53 0.00 0.00 176.83 176.07 1oup h LYS 104 N 0.74 0.00 0.00 2.24 3.64 -1.08 -3.45 116.57 118.66 1oup h LYS 104 Ca 0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 1oup h LYS 104 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1oup h LYS 104 CO -0.31 0.93 0.00 0.09 -2.27 0.00 0.00 179.45 177.89 1oup n ASN 105 N -3.32 0.00 -2.61 4.20 5.03 0.06 -5.01 115.26 113.61 1oup n ASN 105 Ca -0.01 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.07 1oup n ASN 105 Cb 0.94 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 39.63 1oup n ASN 105 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1oup n ASP 106 N -0.05 0.55 -0.04 6.41 4.64 -1.10 -4.86 116.55 122.11 1oup n ASP 106 Ca 0.00 0.52 -0.14 0.00 -1.38 0.00 0.00 54.79 53.79 1oup n ASP 106 Cb 0.00 -0.52 -0.09 0.00 -1.04 0.00 0.00 41.12 39.47 1oup n ASP 106 CO 0.00 0.00 0.00 -0.61 -0.82 0.00 0.00 177.20 175.77 1oup h GLN 107 N 4.28 0.27 -0.94 -0.67 5.75 -1.95 -2.69 115.11 119.16 1oup h GLN 107 Ca -0.14 -0.19 0.09 0.00 -0.15 0.00 0.00 58.65 58.26 1oup h GLN 107 Cb 0.82 0.03 -0.07 0.00 1.07 0.00 0.00 27.48 29.32 1oup h GLN 107 CO 0.61 0.80 0.58 1.96 -2.65 0.00 0.00 178.83 180.13 1oup h GLN 108 N -0.21 0.96 0.27 1.69 1.08 -1.96 -1.73 115.11 115.21 1oup h GLN 108 Ca -0.00 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1oup h GLN 108 Cb 0.80 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1oup h GLN 108 CO 0.04 0.64 -0.13 0.35 -0.95 0.00 0.00 178.83 178.78 1oup h PHE 109 N 0.99 -0.34 -0.99 2.96 3.57 -1.90 -2.05 116.94 119.19 1oup h PHE 109 Ca 0.44 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.10 1oup h PHE 109 Cb 0.32 0.11 -0.10 0.00 2.79 0.00 0.00 35.95 39.08 1oup h PHE 109 CO -0.02 -0.09 0.62 0.00 -2.23 0.00 0.00 178.31 176.58 1oup h ARG 110 N -0.53 0.77 -0.44 1.11 3.08 -1.12 -0.07 114.38 117.17 1oup h ARG 110 Ca -0.04 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 1oup h ARG 110 Cb 0.39 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1oup h ARG 110 CO 0.06 0.51 0.01 1.25 -1.07 0.00 0.00 179.97 180.73 1oup h LEU 111 N 0.79 0.75 -0.49 3.04 6.46 -1.13 -2.55 115.31 122.18 1oup h LEU 111 Ca 0.55 -0.30 -0.07 0.00 -0.12 0.00 0.00 57.88 57.93 1oup h LEU 111 Cb 0.81 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 1oup h LEU 111 CO -0.33 0.87 0.02 0.24 -0.62 0.00 0.00 178.44 178.62 1oup h MET 112 N 0.61 0.86 0.00 1.25 2.86 -0.37 -2.12 114.93 118.03 1oup h MET 112 Ca 0.13 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1oup h MET 112 Cb 0.48 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1oup h MET 112 CO 0.02 0.89 0.00 -0.85 1.06 0.00 0.00 176.91 178.03 1oup n GLU 113 N -4.35 0.39 -0.02 1.72 0.28 -0.21 -1.57 120.64 116.88 1oup n GLU 113 Ca 0.01 0.07 0.08 0.00 -0.16 0.00 0.00 57.16 57.16 1oup n GLU 113 Cb 0.30 -1.50 0.08 0.00 1.43 0.00 0.00 31.44 31.75 1oup n GLU 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1oup n ALA 114 N -1.20 2.46 -2.18 -1.84 0.00 -0.82 -4.61 120.51 112.31 1oup n ALA 114 Ca 0.11 -0.67 -0.43 0.00 0.00 0.00 0.00 53.44 52.45 1oup n ALA 114 Cb 0.13 -0.56 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 1oup n ALA 114 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1oup s ASP 115 N -1.33 6.32 0.60 0.00 -1.08 -0.61 -4.80 116.67 115.77 1oup s ASP 115 Ca 0.20 1.35 0.31 0.00 -0.52 0.00 0.00 52.55 53.89 1oup s ASP 115 Cb 0.14 -2.53 1.87 0.00 -1.46 0.00 0.00 42.92 40.94 1oup s ASP 115 CO 0.21 -1.35 2.25 -0.07 0.52 0.00 0.00 175.17 176.72 1oup h LEU 116 N 12.04 0.00 -1.53 -1.34 3.38 -1.92 -1.25 115.31 124.70 1oup h LEU 116 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1oup h LEU 116 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1oup h LEU 116 CO 1.03 0.00 0.00 0.45 0.09 0.00 0.00 178.44 180.01 1oup h HIS 117 N 0.00 0.00 -0.01 1.13 3.86 -1.96 -2.73 115.15 115.44 1oup h HIS 117 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1oup h HIS 117 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1oup h HIS 117 CO 0.00 0.00 -0.42 -1.71 0.86 0.00 0.00 177.93 176.66 1oup n ASN 118 N -2.71 1.56 -4.61 2.45 5.15 -0.47 -4.92 115.26 111.71 1oup n ASN 118 Ca 0.00 -1.23 -0.34 0.00 -0.60 0.00 0.00 54.58 52.41 1oup n ASN 118 Cb 0.20 0.36 -0.10 0.00 -0.53 0.00 0.00 39.78 39.71 1oup n ASN 118 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1oup s LEU 119 N -2.52 3.70 0.05 1.20 1.43 -1.03 -1.08 118.68 120.43 1oup s LEU 119 Ca 0.20 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 1oup s LEU 119 Cb 0.18 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1oup s LEU 119 CO 0.57 0.18 -0.05 0.42 0.23 0.00 0.00 176.35 177.69 1oup s THR 120 N 0.35 0.39 -0.22 5.49 -4.23 -0.67 -4.94 115.64 111.81 1oup s THR 120 Ca 0.02 -1.46 -0.26 0.00 -1.18 0.00 0.00 61.69 58.81 1oup s THR 120 Cb -0.13 -1.05 -0.00 0.00 1.34 0.00 0.00 72.50 72.66 1oup s THR 120 CO 0.01 -0.70 0.89 -2.16 -0.54 0.00 0.00 174.62 172.11 1oup s PRO 121 N -2.77 4.23 0.18 3.99 0.04 -1.26 0.60 135.00 140.00 1oup s PRO 121 Ca -0.01 1.08 0.08 0.00 0.04 0.00 0.00 61.00 62.19 1oup s PRO 121 Cb -0.01 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 1oup s PRO 121 CO -0.04 -0.51 -0.17 0.00 0.04 0.00 0.00 177.00 176.31 1oup s ALA 122 N 2.81 2.02 0.18 8.56 0.00 -0.70 0.11 121.76 134.73 1oup s ALA 122 Ca 0.38 -1.53 -0.31 0.00 0.00 0.00 0.00 51.96 50.50 1oup s ALA 122 Cb -0.15 -0.16 -0.10 0.00 0.00 0.00 0.00 23.12 22.71 1oup s ALA 122 CO 0.08 0.19 1.48 0.42 0.00 0.00 0.00 175.76 177.94 1oup s ILE 123 N -2.28 2.81 0.26 0.00 1.01 -1.26 -0.88 121.20 120.86 1oup s ILE 123 Ca 0.17 0.61 -0.04 0.00 0.00 0.00 0.00 60.65 61.39 1oup s ILE 123 Cb -0.05 -3.39 0.31 0.00 0.01 0.00 0.00 42.46 39.35 1oup s ILE 123 CO 0.07 0.06 1.63 1.23 0.00 0.00 0.00 174.94 177.93 1oup h GLY 124 N 6.26 0.98 1.52 6.18 0.00 -0.80 0.42 103.07 117.63 1oup h GLY 124 Ca -0.43 0.10 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 1oup h GLY 124 CO 0.86 -0.34 -0.29 -2.09 0.00 0.00 0.00 176.54 174.68 1oup h GLU 125 N 0.10 0.55 -0.44 4.80 4.81 -1.82 -1.95 114.58 120.63 1oup h GLU 125 Ca 0.46 -0.23 -0.13 0.00 -0.13 0.00 0.00 59.36 59.33 1oup h GLU 125 Cb 0.86 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 1oup h GLU 125 CO -0.71 0.79 -0.25 0.28 -0.73 0.00 0.00 179.01 178.39 1oup h VAL 126 N 0.48 1.27 0.01 0.32 2.07 -1.45 -0.81 116.25 118.14 1oup h VAL 126 Ca 0.06 -1.40 0.01 0.00 0.82 0.00 0.00 66.70 66.19 1oup h VAL 126 Cb 0.75 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1oup h VAL 126 CO 0.06 0.48 -0.04 -1.13 0.02 0.00 0.00 177.57 176.95 1oup h ASN 127 N 0.79 -0.12 -0.57 0.57 -1.24 -0.68 -0.94 115.58 113.39 1oup h ASN 127 Ca 0.10 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.10 1oup h ASN 127 Cb 0.81 0.05 -0.03 0.00 0.73 0.00 0.00 38.32 39.88 1oup h ASN 127 CO 0.07 -0.06 0.26 1.23 -1.29 0.00 0.00 177.43 177.64 1oup h GLY 128 N -0.08 0.89 1.49 1.57 0.00 -1.22 -2.90 103.07 102.82 1oup h GLY 128 Ca 0.01 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 1oup h GLY 128 CO -0.04 0.43 -0.12 -0.55 0.00 0.00 0.00 176.54 176.26 1oup h ASP 129 N 0.77 0.60 0.49 0.19 3.32 -0.96 -2.00 116.42 118.84 1oup h ASP 129 Ca 0.19 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1oup h ASP 129 Cb 0.14 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1oup h ASP 129 CO -0.02 0.75 -0.08 -0.09 -1.72 0.00 0.00 179.24 178.07 1oup h ARG 130 N 0.56 0.00 0.00 3.56 1.12 -1.00 -3.47 114.38 115.14 1oup h ARG 130 Ca 0.10 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.97 1oup h ARG 130 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.50 1oup h ARG 130 CO 0.03 0.08 0.00 0.45 -3.11 0.00 0.00 179.97 177.43 1oup n SER 131 N -3.41 0.00 -1.90 -3.80 2.88 -0.75 -1.21 113.62 105.43 1oup n SER 131 Ca -0.01 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.39 1oup n SER 131 Cb 0.24 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 63.92 1oup n SER 131 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1oup n ASN 132 N -1.08 3.78 -4.78 -3.46 6.94 -1.26 -4.98 115.26 110.42 1oup n ASN 132 Ca 0.00 -3.52 -0.36 0.00 -0.02 0.00 0.00 54.58 50.67 1oup n ASN 132 Cb 0.00 -0.76 -0.02 0.00 -2.36 0.00 0.00 39.78 36.64 1oup n ASN 132 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1oup s PHE 133 N -3.19 2.96 0.63 -2.53 0.08 -0.35 -4.97 117.98 110.62 1oup s PHE 133 Ca 0.53 1.57 -0.13 0.00 0.12 0.00 0.00 56.93 59.02 1oup s PHE 133 Cb 0.45 -3.28 -0.02 0.00 -0.57 0.00 0.00 43.02 39.59 1oup s PHE 133 CO 0.09 -1.24 1.04 -0.80 -0.10 0.00 0.00 175.22 174.22 1oup s ASN 134 N -1.50 5.81 0.37 1.36 0.02 -1.23 -4.84 114.94 114.93 1oup s ASN 134 Ca 0.63 1.63 -0.06 0.00 -1.02 0.00 0.00 52.86 54.04 1oup s ASN 134 Cb -0.25 -2.50 -0.05 0.00 0.02 0.00 0.00 41.25 38.46 1oup s ASN 134 CO 0.31 -1.15 0.67 -0.36 0.02 0.00 0.00 177.10 176.58 1oup s PHE 135 N -2.86 3.49 0.35 2.20 0.40 -1.26 -2.18 117.98 118.13 1oup s PHE 135 Ca 0.59 0.77 -0.14 0.00 -0.60 0.00 0.00 56.93 57.55 1oup s PHE 135 Cb -0.13 -2.23 0.06 0.00 0.51 0.00 0.00 43.02 41.23 1oup s PHE 135 CO 0.47 -0.01 0.75 0.45 0.70 0.00 0.00 175.22 177.58 1oup n SER 136 N -1.40 -2.09 -3.83 1.36 2.88 0.04 -4.85 113.62 105.73 1oup n SER 136 Ca -0.00 -2.42 -0.12 0.00 -1.33 0.00 0.00 58.87 54.99 1oup n SER 136 Cb 0.54 3.48 -0.13 0.00 -0.75 0.00 0.00 64.21 67.36 1oup n SER 136 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1oup s GLN 137 N -2.08 0.16 0.24 -1.46 0.74 -1.26 -4.06 119.66 111.94 1oup s GLN 137 Ca 0.15 0.18 -0.22 0.00 0.05 0.00 0.00 55.36 55.52 1oup s GLN 137 Cb -0.04 0.08 0.03 0.00 1.10 0.00 0.00 33.01 34.18 1oup s GLN 137 CO 0.11 -0.02 0.76 1.67 -0.55 0.00 0.00 175.29 177.25 1oup s TRP 138 N 0.04 -0.21 0.34 1.67 -2.14 -1.26 -5.12 118.94 112.27 1oup s TRP 138 Ca -0.00 -0.20 -0.00 0.00 2.66 0.00 0.00 56.10 58.55 1oup s TRP 138 Cb -0.01 0.68 -0.04 0.00 -3.10 0.00 0.00 33.47 31.01 1oup s TRP 138 CO 0.00 -1.12 0.55 -0.80 -2.66 0.00 0.00 176.95 172.92 1oup s ASN 139 N -2.91 6.32 0.59 -2.66 0.02 -1.26 -4.99 114.94 110.05 1oup s ASN 139 Ca 0.10 0.50 0.00 0.00 -1.02 0.00 0.00 52.86 52.44 1oup s ASN 139 Cb -0.05 -2.05 0.00 0.00 0.02 0.00 0.00 41.25 39.17 1oup s ASN 139 CO 0.04 -0.28 0.00 0.61 0.02 0.00 0.00 177.10 177.50 1oup n GLY 140 N -1.63 -0.54 3.34 0.66 0.00 -1.26 -4.73 105.19 101.02 1oup n GLY 140 Ca -0.04 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 1oup n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oup s VAL 141 N 0.00 3.47 -0.43 1.61 1.01 -1.26 -4.98 120.40 119.82 1oup s VAL 141 Ca 0.00 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.59 1oup s VAL 141 Cb 0.00 -2.57 0.31 0.00 0.00 0.00 0.00 36.38 34.12 1oup s VAL 141 CO 0.00 0.43 0.95 -0.67 0.00 0.00 0.00 175.10 175.81 1oup n ASP 142 N 4.65 -1.38 0.00 3.32 2.03 -1.26 -5.11 116.55 118.80 1oup n ASP 142 Ca -0.18 -3.41 0.00 0.00 0.52 0.00 0.00 54.79 51.72 1oup n ASP 142 Cb 0.51 1.06 0.00 0.00 -0.72 0.00 0.00 41.12 41.97 1oup n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1oup n GLY 143 N 0.55 1.93 3.83 0.27 0.00 -1.26 -4.56 105.19 105.94 1oup n GLY 143 Ca 0.13 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 1oup n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oup s VAL 144 N -2.00 4.53 0.00 1.61 0.11 -0.06 -4.69 120.40 119.90 1oup s VAL 144 Ca 0.00 1.25 0.00 0.00 -2.93 0.00 0.00 61.98 60.30 1oup s VAL 144 Cb 0.00 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.17 1oup s VAL 144 CO 0.00 -0.14 0.00 -0.24 -3.33 0.00 0.00 175.10 171.39 1oup n SER 145 N -0.21 1.24 -2.56 3.54 2.88 -1.26 -0.80 113.62 116.44 1oup n SER 145 Ca 0.04 -0.97 -0.14 0.00 -1.33 0.00 0.00 58.87 56.46 1oup n SER 145 Cb 0.53 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.01 1oup n SER 145 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1oup n TYR 146 N 0.00 1.99 0.00 0.66 4.02 -1.02 -4.91 117.16 117.91 1oup n TYR 146 Ca 0.00 -2.68 0.00 0.00 -0.01 0.00 0.00 57.90 55.21 1oup n TYR 146 Cb 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.06 1oup n TYR 146 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1oup n GLY 147 N -0.36 1.91 0.12 2.72 0.00 -1.26 -1.62 105.19 106.70 1oup n GLY 147 Ca 0.21 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 1oup n GLY 147 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1oup h ARG 148 N 0.00 0.07 -6.27 1.61 2.43 -1.42 -3.40 114.38 107.40 1oup h ARG 148 Ca 0.00 -0.07 -0.57 0.00 -0.81 0.00 0.00 59.98 58.53 1oup h ARG 148 Cb 0.00 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1oup h ARG 148 CO 0.00 0.80 0.96 0.00 -1.51 0.00 0.00 179.97 180.23 1oup n GLU 150 N 7.10 1.73 -1.68 0.00 1.02 -1.26 -2.44 120.64 125.11 1oup n GLU 150 Ca 0.15 -1.13 -0.44 0.00 -0.02 0.00 0.00 57.16 55.73 1oup n GLU 150 Cb 0.46 -1.26 -0.01 0.00 -0.02 0.00 0.00 31.44 30.60 1oup n GLU 150 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1oup n MET 151 N 0.41 2.02 -5.23 3.49 1.56 -1.26 -4.86 117.12 113.25 1oup n MET 151 Ca 0.11 0.71 -0.31 0.00 -0.27 0.00 0.00 57.70 57.94 1oup n MET 151 Cb 0.27 -2.30 -0.16 0.00 2.15 0.00 0.00 33.22 33.18 1oup n MET 151 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1oup s GLN 152 N -1.29 2.44 -0.09 2.12 -0.21 -0.49 -3.87 119.66 118.27 1oup s GLN 152 Ca 0.60 -0.89 0.04 0.00 0.02 0.00 0.00 55.36 55.14 1oup s GLN 152 Cb -0.61 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.24 1oup s GLN 152 CO 0.57 0.45 -0.22 0.08 -2.12 0.00 0.00 175.29 174.05 1oup s VAL 153 N -0.34 1.92 -0.36 1.09 1.01 0.02 -0.70 120.40 123.04 1oup s VAL 153 Ca 0.02 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.09 1oup s VAL 153 Cb -0.12 -1.66 0.10 0.00 0.00 0.00 0.00 36.38 34.70 1oup s VAL 153 CO 0.02 0.53 0.08 0.21 0.00 0.00 0.00 175.10 175.94 1oup s ASN 154 N 0.35 4.64 0.28 3.32 3.84 0.16 -0.88 114.94 126.65 1oup s ASN 154 Ca -0.17 -2.21 -0.01 0.00 0.21 0.00 0.00 52.86 50.68 1oup s ASN 154 Cb -0.17 -1.55 0.39 0.00 -0.55 0.00 0.00 41.25 39.36 1oup s ASN 154 CO 0.08 -0.37 1.79 -0.26 -2.79 0.00 0.00 177.10 175.55 1oup h PHE 155 N 7.53 0.79 -0.10 0.43 -1.00 -1.94 0.10 116.94 122.75 1oup h PHE 155 Ca -0.05 -0.10 -0.00 0.00 2.81 0.00 0.00 57.97 60.62 1oup h PHE 155 Cb 1.00 -0.22 -0.00 0.00 3.61 0.00 0.00 35.95 40.34 1oup h PHE 155 CO 0.46 0.73 0.04 -0.22 -1.61 0.00 0.00 178.31 177.71 1oup h LYS 156 N 0.71 0.15 -0.09 1.51 1.63 -1.95 -2.81 116.57 115.71 1oup h LYS 156 Ca 0.14 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1oup h LYS 156 Cb 0.41 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1oup h LYS 156 CO 0.01 0.24 0.00 1.04 -3.45 0.00 0.00 179.45 177.30 1oup n GLN 157 N -4.93 1.71 -3.59 1.90 6.02 -1.18 -4.96 117.38 112.36 1oup n GLN 157 Ca -0.06 -1.05 -0.22 0.00 -0.01 0.00 0.00 57.00 55.66 1oup n GLN 157 Cb 0.10 -1.44 0.05 0.00 1.02 0.00 0.00 30.24 29.97 1oup n GLN 157 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1oup n ARG 158 N 0.27 -3.68 -3.83 -1.09 1.74 0.24 -5.00 116.66 105.31 1oup n ARG 158 Ca 0.18 0.65 -0.11 0.00 -0.77 0.00 0.00 57.85 57.80 1oup n ARG 158 Cb 0.35 -5.12 -0.08 0.00 -1.02 0.00 0.00 32.46 26.58 1oup n ARG 158 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1oup s LYS 159 N -5.61 0.68 0.01 5.56 -2.85 -0.55 -3.52 119.74 113.46 1oup s LYS 159 Ca 0.20 -0.56 0.01 0.00 -1.00 0.00 0.00 55.97 54.61 1oup s LYS 159 Cb -0.05 0.28 -0.01 0.00 -2.06 0.00 0.00 37.83 36.00 1oup s LYS 159 CO 0.80 -0.19 -0.03 0.14 0.10 0.00 0.00 175.35 176.17 1oup s VAL 160 N -2.34 0.20 -0.30 1.79 -7.23 -0.92 0.37 120.40 111.95 1oup s VAL 160 Ca -0.07 -0.36 -0.07 0.00 -1.81 0.00 0.00 61.98 59.68 1oup s VAL 160 Cb -0.02 -0.22 0.01 0.00 0.56 0.00 0.00 36.38 36.71 1oup s VAL 160 CO -0.03 -0.11 0.09 -0.32 -0.31 0.00 0.00 175.10 174.43 1oup s MET 161 N -0.49 3.01 0.49 4.82 1.75 0.12 -0.78 119.30 128.22 1oup s MET 161 Ca -0.04 -0.92 -0.03 0.00 -1.25 0.00 0.00 55.69 53.45 1oup s MET 161 Cb -0.04 -3.39 -0.02 0.00 2.84 0.00 0.00 34.83 34.23 1oup s MET 161 CO -0.00 -0.48 0.76 -1.25 -0.65 0.00 0.00 175.02 173.40 1oup s PRO 162 N 1.48 3.25 0.81 4.11 0.04 -1.26 -1.39 135.00 142.04 1oup s PRO 162 Ca 0.02 -0.08 -0.11 0.00 0.04 0.00 0.00 61.00 60.87 1oup s PRO 162 Cb -0.18 -2.42 0.08 0.00 0.04 0.00 0.00 34.50 32.02 1oup s PRO 162 CO 0.03 -0.32 1.12 -2.14 0.04 0.00 0.00 177.00 175.73 1oup s PRO 163 N -4.72 1.88 0.20 0.56 0.02 -1.26 -4.86 135.00 126.82 1oup s PRO 163 Ca 0.49 1.35 -0.11 0.00 0.02 0.00 0.00 61.00 62.75 1oup s PRO 163 Cb -0.10 -1.84 0.22 0.00 0.02 0.00 0.00 34.50 32.80 1oup s PRO 163 CO 0.42 -1.95 1.77 -0.44 -0.33 0.00 0.00 177.00 176.47 1oup h ASP 164 N -1.22 0.33 -0.07 2.53 3.32 -1.97 -2.26 116.42 117.09 1oup h ASP 164 Ca -0.44 0.05 0.02 0.00 0.02 0.00 0.00 57.03 56.68 1oup h ASP 164 Cb 1.25 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 1oup h ASP 164 CO 0.48 0.22 0.36 0.08 -1.72 0.00 0.00 179.24 178.66 1oup h ARG 165 N 0.49 0.00 0.00 3.56 0.11 -1.91 -1.50 114.38 115.12 1oup h ARG 165 Ca 0.27 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.31 1oup h ARG 165 Cb 0.26 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.33 1oup h ARG 165 CO -0.23 0.00 -2.01 0.00 0.10 0.00 0.00 179.97 177.84 1oup n ALA 166 N -1.96 2.60 -0.29 0.08 0.00 -0.86 -4.68 120.51 115.41 1oup n ALA 166 Ca -0.00 -0.60 0.09 0.00 0.00 0.00 0.00 53.44 52.93 1oup n ALA 166 Cb 0.43 -0.64 0.25 0.00 0.00 0.00 0.00 19.45 19.49 1oup n ALA 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oup h ARG 167 N 0.00 0.46 -0.02 0.00 3.08 -1.20 0.55 114.38 117.24 1oup h ARG 167 Ca -0.07 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1oup h ARG 167 Cb 1.12 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 1oup h ARG 167 CO 0.00 0.30 0.00 0.78 -1.07 0.00 0.00 179.97 179.99 1oup h GLY 168 N 0.47 0.03 1.33 0.04 0.00 -1.75 0.22 103.07 103.42 1oup h GLY 168 Ca 0.49 -0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.73 1oup h GLY 168 CO -0.45 0.02 0.02 0.23 0.00 0.00 0.00 176.54 176.36 1oup h SER 169 N -0.24 0.79 -0.25 0.19 0.87 -1.73 -0.58 113.55 112.61 1oup h SER 169 Ca 0.01 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.37 1oup h SER 169 Cb 0.28 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1oup h SER 169 CO 0.00 0.84 0.12 0.40 -0.53 0.00 0.00 176.83 177.66 1oup h ILE 170 N 0.77 1.14 0.17 2.23 2.04 -0.74 -1.34 117.51 121.78 1oup h ILE 170 Ca 0.15 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1oup h ILE 170 Cb 0.43 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1oup h ILE 170 CO 0.02 0.14 -0.09 0.00 0.00 0.00 0.00 178.15 178.21 1oup h ALA 171 N 0.99 -0.24 0.00 1.87 0.00 -0.50 -0.14 119.26 121.24 1oup h ALA 171 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1oup h ALA 171 Cb 0.11 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1oup h ALA 171 CO -0.01 -0.64 -0.17 0.00 0.00 0.00 0.00 179.25 178.43 1oup h ARG 172 N -0.24 0.00 -0.02 0.00 3.08 -1.08 -1.38 114.38 114.74 1oup h ARG 172 Ca -0.02 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 1oup h ARG 172 Cb 0.19 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.25 1oup h ARG 172 CO 0.03 0.17 -0.36 1.15 -1.07 0.00 0.00 179.97 179.89 1oup h THR 173 N 0.00 1.49 -0.94 2.04 2.02 -0.87 -0.69 112.91 115.95 1oup h THR 173 Ca -0.00 -1.93 0.02 0.00 0.77 0.00 0.00 66.41 65.26 1oup h THR 173 Cb 0.35 2.62 -0.05 0.00 -1.74 0.00 0.00 68.15 69.33 1oup h THR 173 CO 0.02 0.54 0.62 1.88 0.37 0.00 0.00 175.52 178.96 1oup h TYR 174 N -0.31 1.17 -0.46 3.16 -1.99 -0.65 -0.74 116.97 117.15 1oup h TYR 174 Ca -0.04 0.03 -0.11 0.00 2.00 0.00 0.00 58.73 60.61 1oup h TYR 174 Cb 1.08 -0.40 -0.02 0.00 2.00 0.00 0.00 36.73 39.40 1oup h TYR 174 CO 0.16 0.72 -0.16 -0.07 -0.00 0.00 0.00 178.16 178.81 1oup h LEU 175 N 1.25 0.89 0.68 3.88 4.07 -1.26 -2.10 115.31 122.72 1oup h LEU 175 Ca 0.35 -0.30 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 1oup h LEU 175 Cb -0.11 -0.24 0.01 0.00 1.08 0.00 0.00 40.66 41.39 1oup h LEU 175 CO -0.09 1.04 -0.33 0.22 -1.08 0.00 0.00 178.44 178.20 1oup h TYR 176 N 0.78 -0.85 -0.78 1.13 3.20 -0.56 -2.62 116.97 117.27 1oup h TYR 176 Ca 0.12 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.08 1oup h TYR 176 Cb 0.69 0.28 -0.08 0.00 1.54 0.00 0.00 36.73 39.16 1oup h TYR 176 CO 0.04 -0.50 0.40 0.52 -1.64 0.00 0.00 178.16 176.98 1oup h MET 177 N -1.14 0.62 -0.28 1.82 2.86 -1.17 0.27 114.93 117.91 1oup h MET 177 Ca -0.09 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1oup h MET 177 Cb 0.73 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1oup h MET 177 CO 0.15 0.41 0.18 1.03 1.06 0.00 0.00 176.91 179.74 1oup h SER 178 N 0.64 0.33 -0.06 1.22 0.87 -1.44 -0.61 113.55 114.50 1oup h SER 178 Ca 0.40 -0.04 -0.16 0.00 -1.23 0.00 0.00 61.79 60.76 1oup h SER 178 Cb 0.47 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1oup h SER 178 CO -0.30 0.27 -0.59 -0.61 -0.53 0.00 0.00 176.83 175.07 1oup h GLN 179 N 0.37 0.51 -0.27 2.24 4.15 -1.03 -2.01 115.11 119.07 1oup h GLN 179 Ca 0.10 -0.46 -0.03 0.00 0.77 0.00 0.00 58.65 59.03 1oup h GLN 179 Cb -0.01 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1oup h GLN 179 CO -0.02 1.10 0.05 1.49 -1.93 0.00 0.00 178.83 179.52 1oup h GLU 180 N 0.08 0.44 -0.52 1.69 4.57 -0.45 -3.23 114.58 117.17 1oup h GLU 180 Ca -0.06 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1oup h GLU 180 Cb 1.25 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1oup h GLU 180 CO 0.12 0.55 0.00 0.66 -1.18 0.00 0.00 179.01 179.16 1oup n TYR 181 N -4.68 0.68 -2.78 0.92 4.02 -0.24 -5.01 117.16 110.07 1oup n TYR 181 Ca -0.03 -0.34 -0.19 0.00 -0.01 0.00 0.00 57.90 57.33 1oup n TYR 181 Cb 0.20 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.54 1oup n TYR 181 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1oup n GLY 182 N 1.54 -0.35 3.52 2.72 0.00 -0.78 -5.03 105.19 106.80 1oup n GLY 182 Ca 0.21 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1oup n GLY 182 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1oup s PHE 183 N -3.05 2.69 0.24 1.61 -0.12 -1.04 -5.05 117.98 113.26 1oup s PHE 183 Ca 0.20 -0.17 -0.07 0.00 -0.05 0.00 0.00 56.93 56.83 1oup s PHE 183 Cb -0.09 -1.51 -0.06 0.00 -0.63 0.00 0.00 43.02 40.73 1oup s PHE 183 CO 0.25 0.31 0.53 -0.65 -0.05 0.00 0.00 175.22 175.61 1oup s GLN 184 N -1.52 3.72 0.03 1.99 -0.21 -1.26 -4.56 119.66 117.85 1oup s GLN 184 Ca 0.16 0.13 -0.00 0.00 0.02 0.00 0.00 55.36 55.67 1oup s GLN 184 Cb -0.11 -2.67 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 1oup s GLN 184 CO 0.07 0.30 0.15 -0.51 -2.12 0.00 0.00 175.29 173.17 1oup s LEU 185 N -3.06 4.15 0.85 2.90 1.43 -1.26 -5.08 118.68 118.62 1oup s LEU 185 Ca 0.45 0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 53.65 1oup s LEU 185 Cb -0.11 -2.60 0.11 0.00 0.03 0.00 0.00 46.19 43.62 1oup s LEU 185 CO 0.25 0.22 1.16 -1.54 0.23 0.00 0.00 176.35 176.67 1oup n SER 186 N 0.75 0.68 -0.25 2.29 3.41 -1.26 -4.65 113.62 114.58 1oup n SER 186 Ca -0.09 0.52 0.03 0.00 -0.26 0.00 0.00 58.87 59.07 1oup n SER 186 Cb 0.52 -1.49 0.16 0.00 -0.26 0.00 0.00 64.21 63.14 1oup n SER 186 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1oup h LYS 187 N -1.30 0.54 -0.49 4.33 1.57 -1.99 -0.01 116.57 119.21 1oup h LYS 187 Ca -0.45 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.20 1oup h LYS 187 Cb 1.29 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1oup h LYS 187 CO 0.44 0.35 -0.10 0.37 -0.57 0.00 0.00 179.45 179.95 1oup h GLN 188 N 0.55 0.89 -0.23 3.15 4.15 -1.99 -2.31 115.11 119.32 1oup h GLN 188 Ca 0.38 -0.30 -0.10 0.00 0.77 0.00 0.00 58.65 59.40 1oup h GLN 188 Cb 0.49 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 1oup h GLN 188 CO -0.32 0.95 -0.23 1.96 -1.93 0.00 0.00 178.83 179.25 1oup h GLN 189 N 0.80 0.57 -0.86 1.69 1.08 -1.73 -1.47 115.11 115.20 1oup h GLN 189 Ca 0.13 -0.30 -0.01 0.00 -1.45 0.00 0.00 58.65 57.03 1oup h GLN 189 Cb 0.61 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.01 1oup h GLN 189 CO 0.04 0.89 0.50 0.37 -0.95 0.00 0.00 178.83 179.68 1oup h GLN 190 N 0.26 1.17 -0.44 1.46 5.75 -0.99 0.51 115.11 122.83 1oup h GLN 190 Ca 0.04 -0.12 -0.13 0.00 -0.15 0.00 0.00 58.65 58.29 1oup h GLN 190 Cb 0.78 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 1oup h GLN 190 CO 0.06 0.83 -0.24 0.37 -2.65 0.00 0.00 178.83 177.20 1oup h GLN 191 N 1.19 0.90 -0.03 1.69 4.15 -1.35 -1.47 115.11 120.18 1oup h GLN 191 Ca 0.31 -0.39 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 1oup h GLN 191 Cb -0.02 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.64 1oup h GLN 191 CO -0.05 1.04 -0.04 1.25 -1.93 0.00 0.00 178.83 179.10 1oup h LEU 192 N 0.78 0.09 -1.09 -2.39 5.85 -0.66 -2.48 115.31 115.41 1oup h LEU 192 Ca 0.10 -0.50 0.01 0.00 0.84 0.00 0.00 57.88 58.33 1oup h LEU 192 Cb 0.79 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 1oup h LEU 192 CO 0.07 0.57 0.62 0.24 -0.34 0.00 0.00 178.44 179.59 1oup h MET 193 N -0.39 1.22 -0.64 1.25 2.86 -0.90 0.47 114.93 118.80 1oup h MET 193 Ca 0.00 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 1oup h MET 193 Cb 0.55 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1oup h MET 193 CO 0.01 0.80 0.06 1.96 1.06 0.00 0.00 176.91 180.81 1oup h GLN 194 N 1.25 1.09 -0.05 1.72 4.20 -1.28 0.27 115.11 122.32 1oup h GLN 194 Ca 0.34 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1oup h GLN 194 Cb -0.13 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.53 1oup h GLN 194 CO -0.08 1.02 -0.02 0.00 -0.67 0.00 0.00 178.83 179.09 1oup h ALA 195 N 1.02 0.07 -0.47 3.87 0.00 -0.84 -2.67 119.26 120.23 1oup h ALA 195 Ca 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1oup h ALA 195 Cb 0.49 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1oup h ALA 195 CO 0.02 -0.21 0.26 -1.49 0.00 0.00 0.00 179.25 177.83 1oup h TRP 196 N -0.26 0.62 -0.54 0.00 4.06 0.05 -0.31 115.95 119.57 1oup h TRP 196 Ca 0.01 -0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.00 1oup h TRP 196 Cb 0.42 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 28.34 1oup h TRP 196 CO 0.06 0.43 0.30 -0.97 -3.56 0.00 0.00 178.44 174.70 1oup h ASN 197 N 0.65 0.46 -0.10 -3.49 -1.24 -0.22 -2.48 115.58 109.16 1oup h ASN 197 Ca 0.17 0.02 -0.14 0.00 0.71 0.00 0.00 56.30 57.06 1oup h ASN 197 Cb 0.01 -0.08 0.01 0.00 0.73 0.00 0.00 38.32 38.99 1oup h ASN 197 CO -0.03 0.32 -0.48 0.11 -1.29 0.00 0.00 177.43 176.06 1oup h LYS 198 N 0.59 0.50 0.00 6.67 6.56 -1.03 -3.33 116.57 126.52 1oup h LYS 198 Ca 0.23 -0.40 -0.03 0.00 -1.06 0.00 0.00 60.65 59.39 1oup h LYS 198 Cb 0.09 0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 31.83 1oup h LYS 198 CO -0.13 1.03 -0.14 0.77 -2.06 0.00 0.00 179.45 178.92 1oup h SER 199 N 0.08 0.00 -3.60 0.86 0.02 -1.00 -3.37 113.55 106.55 1oup h SER 199 Ca -0.03 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.30 1oup h SER 199 Cb 1.12 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.26 1oup h SER 199 CO 0.10 0.14 -0.72 -0.31 -1.14 0.00 0.00 176.83 174.90 1oup s TYR 200 N -4.01 2.14 0.89 3.45 1.51 -0.94 -5.09 117.35 115.31 1oup s TYR 200 Ca -0.02 -2.53 -0.11 0.00 -1.01 0.00 0.00 57.07 53.41 1oup s TYR 200 Cb 0.12 -2.01 0.13 0.00 -0.11 0.00 0.00 41.96 40.09 1oup s TYR 200 CO 0.59 -0.78 1.11 -1.25 -1.11 0.00 0.00 175.55 174.12 1oup s PRO 201 N 0.25 1.25 0.64 -1.71 0.04 -1.26 -4.30 135.00 129.92 1oup s PRO 201 Ca 0.18 1.27 -0.17 0.00 0.04 0.00 0.00 61.00 62.32 1oup s PRO 201 Cb -0.24 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1oup s PRO 201 CO -0.00 -2.38 1.21 0.14 0.04 0.00 0.00 177.00 176.01 1oup s VAL 202 N -2.75 2.51 0.45 -0.36 -7.23 -1.26 -4.96 120.40 106.80 1oup s VAL 202 Ca 0.65 0.29 0.05 0.00 -1.81 0.00 0.00 61.98 61.16 1oup s VAL 202 Cb -0.21 -3.01 -0.05 0.00 0.56 0.00 0.00 36.38 33.67 1oup s VAL 202 CO 0.58 -0.09 0.03 1.51 -0.31 0.00 0.00 175.10 176.81 1oup s ASP 203 N -1.76 4.02 0.20 4.85 -4.77 -1.26 -5.03 116.67 112.92 1oup s ASP 203 Ca 0.76 -1.44 -0.20 0.00 -3.30 0.00 0.00 52.55 48.38 1oup s ASP 203 Cb -0.30 -0.09 0.16 0.00 -1.09 0.00 0.00 42.92 41.59 1oup s ASP 203 CO 0.38 -0.60 1.57 -0.08 0.70 0.00 0.00 175.17 177.14 1oup h GLU 204 N 1.59 -0.10 -0.72 2.11 4.81 -2.01 -2.40 114.58 117.87 1oup h GLU 204 Ca -0.44 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.75 1oup h GLU 204 Cb 1.27 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 1oup h GLU 204 CO 0.77 -0.06 0.27 2.35 -0.73 0.00 0.00 179.01 181.61 1oup h TRP 205 N -0.10 1.10 -0.41 0.92 2.91 -1.99 -2.34 115.95 116.05 1oup h TRP 205 Ca 0.27 -0.08 -0.02 0.00 1.13 0.00 0.00 58.89 60.19 1oup h TRP 205 Cb 0.57 -0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 28.87 1oup h TRP 205 CO -0.75 0.84 0.18 1.49 -1.03 0.00 0.00 178.44 179.17 1oup h GLU 206 N 1.05 0.56 -0.06 2.65 4.81 -1.84 0.30 114.58 122.05 1oup h GLU 206 Ca 0.24 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1oup h GLU 206 Cb 0.23 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1oup h GLU 206 CO -0.02 0.45 -0.26 0.00 -0.73 0.00 0.00 179.01 178.45 1oup h THR 208 N -0.22 0.96 -0.75 0.00 2.02 -1.20 -1.38 112.91 112.34 1oup h THR 208 Ca -0.01 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 67.20 1oup h THR 208 Cb 0.90 0.97 -0.06 0.00 -1.74 0.00 0.00 68.15 68.23 1oup h THR 208 CO 0.05 0.01 0.44 -0.09 0.37 0.00 0.00 175.52 176.30 1oup h ARG 209 N -0.08 0.79 -0.44 6.66 2.43 -0.45 -0.69 114.38 122.60 1oup h ARG 209 Ca -0.01 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1oup h ARG 209 Cb 0.06 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1oup h ARG 209 CO 0.01 0.52 0.24 0.22 -1.51 0.00 0.00 179.97 179.45 1oup h ASP 210 N 0.81 0.36 -0.53 -3.80 1.82 -0.91 -0.18 116.42 114.00 1oup h ASP 210 Ca 0.33 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.99 1oup h ASP 210 Cb 0.19 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.11 1oup h ASP 210 CO -0.18 0.26 0.32 0.44 -1.61 0.00 0.00 179.24 178.47 1oup h ASP 211 N 0.48 0.64 -0.80 2.28 3.32 -0.39 -1.15 116.42 120.80 1oup h ASP 211 Ca 0.18 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1oup h ASP 211 Cb 0.06 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 1oup h ASP 211 CO -0.11 0.51 0.37 0.03 -1.72 0.00 0.00 179.24 178.32 1oup h ARG 212 N 0.71 1.17 -0.54 3.56 3.08 -0.64 -2.48 114.38 119.25 1oup h ARG 212 Ca 0.19 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1oup h ARG 212 Cb -0.01 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 1oup h ARG 212 CO -0.04 0.92 -0.11 0.82 -1.07 0.00 0.00 179.97 180.49 1oup h ILE 213 N 1.16 1.27 -0.89 2.04 2.04 -0.68 -2.97 117.51 119.47 1oup h ILE 213 Ca 0.28 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 1oup h ILE 213 Cb 0.15 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1oup h ILE 213 CO -0.03 0.45 0.50 0.00 0.00 0.00 0.00 178.15 179.07 1oup h ALA 214 N 0.96 1.20 0.00 1.87 0.00 -0.96 0.14 119.26 122.47 1oup h ALA 214 Ca 0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1oup h ALA 214 Cb 0.68 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1oup h ALA 214 CO 0.05 0.65 -0.21 -0.22 0.00 0.00 0.00 179.25 179.52 1oup h LYS 215 N 1.24 0.00 0.00 0.00 3.64 -1.34 0.83 116.57 120.94 1oup h LYS 215 Ca 0.32 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.50 1oup h LYS 215 Cb 0.01 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1oup h LYS 215 CO -0.05 0.21 -1.11 0.82 -2.27 0.00 0.00 179.45 177.05 1oup h ILE 216 N 0.00 0.82 0.00 2.00 2.04 -1.22 -3.41 117.51 117.73 1oup h ILE 216 Ca -0.00 -2.02 -0.12 0.00 1.00 0.00 0.00 64.86 63.71 1oup h ILE 216 Cb 0.42 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 1oup h ILE 216 CO 0.03 0.28 -1.13 1.56 0.00 0.00 0.00 178.15 178.88 1oup h GLN 217 N -1.00 0.00 0.00 2.37 4.20 -1.04 -3.34 115.11 116.31 1oup h GLN 217 Ca -0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1oup h GLN 217 Cb 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1oup h GLN 217 CO -0.18 0.27 0.00 0.41 -0.67 0.00 0.00 178.83 178.66 1oup n GLY 218 N 1.32 3.23 3.70 3.46 0.00 0.29 -4.97 105.19 112.21 1oup n GLY 218 Ca -0.05 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 1oup n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oup s ASN 219 N 0.00 5.14 0.75 1.61 4.22 -1.25 -4.70 114.94 120.72 1oup s ASN 219 Ca 0.00 -0.08 -0.10 0.00 -2.14 0.00 0.00 52.86 50.54 1oup s ASN 219 Cb 0.00 -1.30 0.06 0.00 1.28 0.00 0.00 41.25 41.29 1oup s ASN 219 CO 0.00 0.22 1.11 -1.00 -2.04 0.00 0.00 177.10 175.39 1oup s HIS 220 N -1.22 3.00 -0.43 1.54 3.76 -1.26 -3.98 115.29 116.70 1oup s HIS 220 Ca 0.23 0.69 -0.16 0.00 -0.15 0.00 0.00 55.06 55.68 1oup s HIS 220 Cb -0.12 -3.32 0.04 0.00 1.11 0.00 0.00 32.58 30.29 1oup s HIS 220 CO 0.15 -1.55 0.35 1.21 -0.85 0.00 0.00 174.74 174.06 1oup s ASN 221 N -4.52 6.13 0.23 1.40 3.04 -1.26 -4.96 114.94 115.00 1oup s ASN 221 Ca 0.61 -0.99 -0.08 0.00 0.04 0.00 0.00 52.86 52.43 1oup s ASN 221 Cb -0.11 -2.18 0.38 0.00 -1.54 0.00 0.00 41.25 37.80 1oup s ASN 221 CO 0.48 -0.53 1.66 -0.65 -3.04 0.00 0.00 177.10 175.02 1oup h PRO 222 N 8.69 0.15 -0.01 0.43 0.11 -1.96 0.14 132.00 139.55 1oup h PRO 222 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1oup h PRO 222 Cb 1.12 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1oup h PRO 222 CO 0.79 0.10 0.01 0.74 -0.21 0.00 0.00 178.00 179.42 1oup h PHE 223 N 0.15 0.00 0.00 0.65 -1.00 -1.93 -1.83 116.94 112.98 1oup h PHE 223 Ca 0.37 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 61.09 1oup h PHE 223 Cb 0.62 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.18 1oup h PHE 223 CO -0.35 0.00 -0.40 0.28 -1.61 0.00 0.00 178.31 176.23 1oup h VAL 224 N 0.00 0.93 0.05 -0.55 2.07 -1.23 -3.32 116.25 114.21 1oup h VAL 224 Ca 0.01 -1.83 0.03 0.00 0.82 0.00 0.00 66.70 65.72 1oup h VAL 224 Cb 0.02 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1oup h VAL 224 CO -0.00 0.32 -0.31 -0.61 0.02 0.00 0.00 177.57 176.99 1oup h GLN 225 N -1.00 -0.47 -0.95 1.57 4.15 -0.66 0.56 115.11 118.30 1oup h GLN 225 Ca -0.09 0.03 0.13 0.00 0.77 0.00 0.00 58.65 59.49 1oup h GLN 225 Cb 0.80 0.11 -0.08 0.00 0.21 0.00 0.00 27.48 28.52 1oup h GLN 225 CO -0.06 -0.32 0.60 0.37 -1.93 0.00 0.00 178.83 177.50 1oup h GLN 226 N -0.49 0.83 -0.01 1.69 4.15 -1.56 -0.73 115.11 118.98 1oup h GLN 226 Ca 0.05 -0.05 -0.17 0.00 0.77 0.00 0.00 58.65 59.25 1oup h GLN 226 Cb 0.55 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 1oup h GLN 226 CO -0.23 0.55 -0.76 1.03 -1.93 0.00 0.00 178.83 177.49 1oup h SER 227 N 0.85 0.15 0.78 -0.69 0.87 -1.45 -3.24 113.55 110.82 1oup h SER 227 Ca 0.48 -0.11 -0.20 0.00 -1.23 0.00 0.00 61.79 60.72 1oup h SER 227 Cb 0.60 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1oup h SER 227 CO -0.24 0.86 -0.94 0.00 -0.53 0.00 0.00 176.83 175.97 1oup s GLN 229 N -2.97 4.66 -0.46 0.00 -0.21 -0.38 -5.01 119.66 115.28 1oup s GLN 229 Ca -0.01 1.39 -0.10 0.00 0.02 0.00 0.00 55.36 56.65 1oup s GLN 229 Cb 0.10 -3.38 0.10 0.00 1.00 0.00 0.00 33.01 30.84 1oup s GLN 229 CO 0.82 0.22 0.34 0.99 -2.12 0.00 0.00 175.29 175.54 1oup s THR 230 N 0.02 4.42 -2.29 -0.19 2.01 -1.26 -4.91 115.64 113.43 1oup s THR 230 Ca 0.46 -1.58 0.30 0.00 0.31 0.00 0.00 61.69 61.17 1oup s THR 230 Cb -0.23 -3.82 0.70 0.00 0.01 0.00 0.00 72.50 69.16 1oup s THR 230 CO 0.29 -0.69 1.95 0.00 -0.69 0.00 0.00 174.62 175.47