#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oup n PRO 20 N 0.00 0.07 -1.81 0.00 -0.02 -1.23 -4.88 135.00 127.14 1oup n PRO 20 Ca 0.00 0.08 -0.41 0.00 -2.02 0.00 0.00 63.50 61.14 1oup n PRO 20 Cb 0.00 -1.97 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 1oup n PRO 20 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1oup s PRO 21 N -3.35 4.13 -0.18 0.52 0.02 -1.26 -4.93 135.00 129.95 1oup s PRO 21 Ca 0.64 2.55 0.09 0.00 0.02 0.00 0.00 61.00 64.30 1oup s PRO 21 Cb -0.29 -3.01 -0.17 0.00 0.02 0.00 0.00 34.50 31.05 1oup s PRO 21 CO 0.60 -0.58 -0.04 0.45 -0.33 0.00 0.00 177.00 177.09 1oup n SER 22 N 1.62 1.66 -4.40 2.53 2.88 -1.26 -4.94 113.62 111.71 1oup n SER 22 Ca 0.06 -0.05 -0.21 0.00 -1.33 0.00 0.00 58.87 57.35 1oup n SER 22 Cb 0.38 0.38 -0.10 0.00 -0.75 0.00 0.00 64.21 64.12 1oup n SER 22 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1oup s SER 23 N -5.37 2.84 0.15 -3.46 1.04 -1.26 -4.90 113.70 102.74 1oup s SER 23 Ca -0.16 -1.09 -0.18 0.00 0.48 0.00 0.00 55.95 55.00 1oup s SER 23 Cb 0.06 -0.18 0.04 0.00 0.10 0.00 0.00 66.02 66.04 1oup s SER 23 CO 0.57 -0.20 1.68 0.15 0.98 0.00 0.00 173.24 176.43 1oup h PHE 24 N 2.40 -0.19 -1.01 5.02 3.57 -1.89 0.35 116.94 125.19 1oup h PHE 24 Ca -0.39 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.23 1oup h PHE 24 Cb 1.23 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 40.03 1oup h PHE 24 CO 0.72 -0.15 0.64 0.66 -2.23 0.00 0.00 178.31 177.96 1oup h SER 25 N -0.02 0.99 -0.38 0.41 4.64 -1.96 0.16 113.55 117.39 1oup h SER 25 Ca 0.15 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.43 1oup h SER 25 Cb 0.25 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1oup h SER 25 CO -0.33 0.58 -0.05 0.00 -0.87 0.00 0.00 176.83 176.16 1oup h ALA 26 N 1.50 0.51 -0.55 5.18 0.00 -1.74 -2.20 119.26 121.96 1oup h ALA 26 Ca 0.47 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1oup h ALA 26 Cb 0.33 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1oup h ALA 26 CO -0.22 0.33 0.34 0.00 0.00 0.00 0.00 179.25 179.71 1oup h ALA 27 N 0.85 0.69 0.14 0.00 0.00 0.74 0.67 119.26 122.36 1oup h ALA 27 Ca 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1oup h ALA 27 Cb 0.54 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1oup h ALA 27 CO 0.03 0.16 -0.08 0.87 0.00 0.00 0.00 179.25 180.23 1oup h LYS 28 N 0.74 -0.21 -0.66 0.00 1.57 -0.67 0.23 116.57 117.57 1oup h LYS 28 Ca 0.20 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1oup h LYS 28 Cb -0.04 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1oup h LYS 28 CO -0.04 -0.14 0.44 0.37 -0.57 0.00 0.00 179.45 179.51 1oup h GLN 29 N -0.22 0.75 -0.26 3.15 4.15 -1.17 -0.36 115.11 121.16 1oup h GLN 29 Ca -0.01 -0.05 -0.15 0.00 0.77 0.00 0.00 58.65 59.21 1oup h GLN 29 Cb 0.18 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1oup h GLN 29 CO 0.02 0.50 -0.44 0.37 -1.93 0.00 0.00 178.83 177.34 1oup h GLN 30 N 0.77 0.64 -0.05 1.69 5.75 -0.35 -2.82 115.11 120.74 1oup h GLN 30 Ca 0.27 -0.35 -0.08 0.00 -0.15 0.00 0.00 58.65 58.34 1oup h GLN 30 Cb 0.10 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 1oup h GLN 30 CO -0.08 0.96 -0.33 0.00 -2.65 0.00 0.00 178.83 176.73 1oup h ALA 31 N 0.99 1.35 -0.53 3.38 0.00 0.10 -2.41 119.26 122.15 1oup h ALA 31 Ca 0.04 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.65 1oup h ALA 31 Cb 0.97 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1oup h ALA 31 CO 0.09 0.47 0.35 0.28 0.00 0.00 0.00 179.25 180.44 1oup h VAL 32 N 0.09 1.06 -0.14 0.00 2.07 -0.94 -2.07 116.25 116.33 1oup h VAL 32 Ca 0.01 -0.21 -0.22 0.00 0.82 0.00 0.00 66.70 67.10 1oup h VAL 32 Cb 0.63 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1oup h VAL 32 CO 0.05 0.11 -0.77 0.11 0.02 0.00 0.00 177.57 177.09 1oup h LYS 33 N 0.60 0.76 -0.45 1.57 1.57 -1.45 -3.08 116.57 116.10 1oup h LYS 33 Ca 0.21 -0.64 -0.04 0.00 -1.87 0.00 0.00 60.65 58.32 1oup h LYS 33 Cb 0.10 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1oup h LYS 33 CO -0.05 1.24 0.12 0.82 -0.57 0.00 0.00 179.45 181.01 1oup h ILE 34 N 0.48 1.19 -0.13 1.86 2.04 -1.35 -2.36 117.51 119.24 1oup h ILE 34 Ca -0.06 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1oup h ILE 34 Cb 1.40 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1oup h ILE 34 CO 0.16 0.25 0.00 -1.22 0.00 0.00 0.00 178.15 177.33 1oup n TYR 35 N -4.32 0.17 -0.23 1.37 4.02 -0.82 -4.47 117.16 112.88 1oup n TYR 35 Ca 0.03 -0.09 0.01 0.00 -0.01 0.00 0.00 57.90 57.84 1oup n TYR 35 Cb 0.19 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.59 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 1.67 0.01 -0.74 -0.72 1.08 -1.33 0.13 115.11 115.20 1oup h GLN 36 Ca 0.00 -0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 1oup h GLN 36 Cb 0.37 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.76 1oup h GLN 36 CO 0.00 0.01 0.08 -0.40 -0.95 0.00 0.00 178.83 177.57 1oup n ASP 37 N -5.45 4.35 -3.05 1.46 3.85 -1.26 -4.32 116.55 112.13 1oup n ASP 37 Ca 0.09 -2.77 -0.17 0.00 -0.71 0.00 0.00 54.79 51.23 1oup n ASP 37 Cb 0.36 -0.66 -0.01 0.00 -1.35 0.00 0.00 41.12 39.46 1oup n ASP 37 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.20 177.76 1oup n HIS 38 N 0.27 -1.08 -1.79 2.11 -0.00 0.44 -5.03 115.22 110.13 1oup n HIS 38 Ca 0.24 -3.12 -0.42 0.00 0.46 0.00 0.00 57.72 54.89 1oup n HIS 38 Cb 1.02 0.25 -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 0.94 3.11 -4.47 1.57 -0.04 -1.21 -4.84 135.00 130.06 1oup n PRO 39 Ca 0.18 -2.73 -0.22 0.00 -0.04 0.00 0.00 63.50 60.69 1oup n PRO 39 Cb 0.61 -3.16 -0.16 0.00 -0.04 0.00 0.00 33.50 30.75 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 2.51 0.92 0.37 0.52 1.01 -1.26 0.80 121.20 126.07 1oup s ILE 40 Ca 0.48 -0.41 -0.28 0.00 0.00 0.00 0.00 60.65 60.44 1oup s ILE 40 Cb 0.14 -0.82 -0.10 0.00 0.01 0.00 0.00 42.46 41.69 1oup s ILE 40 CO -0.07 0.29 1.36 -0.44 0.00 0.00 0.00 174.94 176.08 1oup s SER 41 N 0.30 6.50 0.15 3.58 0.01 0.82 -4.83 113.70 120.23 1oup s SER 41 Ca -0.06 2.79 -0.12 0.00 1.31 0.00 0.00 55.95 59.87 1oup s SER 41 Cb -0.11 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.49 1oup s SER 41 CO 0.01 -0.73 1.61 0.15 0.41 0.00 0.00 173.24 174.68 1oup h PHE 42 N 3.05 0.97 0.00 2.43 3.57 -1.02 0.10 116.94 126.05 1oup h PHE 42 Ca -0.50 -0.17 -0.15 0.00 3.53 0.00 0.00 57.97 60.68 1oup h PHE 42 Cb 1.24 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1oup h PHE 42 CO 0.54 0.91 -1.12 0.66 -2.23 0.00 0.00 178.31 177.07 1oup n TYR 43 N -4.31 0.75 0.85 0.41 4.02 -1.26 -4.37 117.16 113.25 1oup n TYR 43 Ca 0.01 0.33 0.13 0.00 -0.01 0.00 0.00 57.90 58.35 1oup n TYR 43 Cb 0.32 -0.90 0.37 0.00 -0.02 0.00 0.00 39.34 39.11 1oup n TYR 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1oup n GLY 45 N 1.44 -0.43 3.79 0.00 0.00 0.02 -4.90 105.19 105.10 1oup n GLY 45 Ca 0.05 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.64 6.41 -0.15 0.00 1.01 -1.26 -0.13 116.67 120.91 1oup s ASP 47 Ca 0.49 2.95 0.01 0.00 0.71 0.00 0.00 52.55 56.71 1oup s ASP 47 Cb -0.18 -2.66 -0.00 0.00 1.01 0.00 0.00 42.92 41.09 1oup s ASP 47 CO 0.23 -0.82 -0.17 -0.63 0.21 0.00 0.00 175.17 173.99 1oup s ILE 48 N -1.14 2.54 -0.72 0.77 1.01 0.24 -0.68 121.20 123.23 1oup s ILE 48 Ca 0.53 -0.82 -0.21 0.00 0.00 0.00 0.00 60.65 60.15 1oup s ILE 48 Cb -0.44 -2.06 0.09 0.00 0.01 0.00 0.00 42.46 40.05 1oup s ILE 48 CO 0.60 0.52 0.98 -1.61 0.00 0.00 0.00 174.94 175.44 1oup s GLU 49 N 0.77 3.22 -1.11 2.79 2.02 0.26 -4.72 118.70 121.94 1oup s GLU 49 Ca -0.06 -1.10 -0.23 0.00 0.02 0.00 0.00 54.97 53.59 1oup s GLU 49 Cb -0.15 -4.41 -0.09 0.00 0.10 0.00 0.00 34.13 29.58 1oup s GLU 49 CO 0.00 -1.79 1.95 -1.58 0.02 0.00 0.00 175.26 173.87 1oup s TRP 50 N 3.63 1.87 -1.53 1.61 0.23 -1.26 -1.40 118.94 122.09 1oup s TRP 50 Ca 0.24 0.63 -0.12 0.00 -2.03 0.00 0.00 56.10 54.81 1oup s TRP 50 Cb -0.15 -3.96 -0.01 0.00 0.03 0.00 0.00 33.47 29.38 1oup s TRP 50 CO 0.05 -1.30 2.53 1.04 0.96 0.00 0.00 176.95 180.24 1oup n GLN 51 N 8.41 3.24 0.00 4.98 6.02 -0.65 -4.89 117.38 134.49 1oup n GLN 51 Ca 0.44 -2.46 0.00 0.00 -0.01 0.00 0.00 57.00 54.96 1oup n GLN 51 Cb 0.47 -3.07 0.00 0.00 1.02 0.00 0.00 30.24 28.65 1oup n GLN 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1oup n GLY 52 N 3.83 2.50 0.26 1.08 0.00 -1.26 -3.51 105.19 108.08 1oup n GLY 52 Ca 0.63 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 46.17 1oup n GLY 52 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1oup h LYS 53 N 0.00 0.91 -6.28 1.61 3.11 -2.00 -3.45 116.57 110.47 1oup h LYS 53 Ca 0.00 -0.35 -0.50 0.00 -2.81 0.00 0.00 60.65 56.99 1oup h LYS 53 Cb 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.17 1oup h LYS 53 CO 0.00 1.00 -0.27 -1.59 -2.81 0.00 0.00 179.45 175.78 1oup s LYS 54 N -4.81 2.46 0.04 1.90 0.00 -1.23 -4.99 119.74 113.10 1oup s LYS 54 Ca -0.12 -1.63 0.01 0.00 0.00 0.00 0.00 55.97 54.23 1oup s LYS 54 Cb 0.12 -2.44 -0.03 0.00 0.00 0.00 0.00 37.83 35.47 1oup s LYS 54 CO 0.84 -0.48 -0.05 0.20 0.00 0.00 0.00 175.35 175.86 1oup s GLY 55 N -4.34 0.42 -0.07 0.59 0.00 -1.26 -1.64 107.32 101.02 1oup s GLY 55 Ca 0.49 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 44.44 1oup s GLY 55 CO 0.30 -0.90 -0.21 -0.42 0.00 0.00 0.00 173.10 171.88 1oup s ILE 56 N -2.05 1.74 0.21 0.90 1.09 -0.49 -1.76 121.20 120.86 1oup s ILE 56 Ca -0.08 -0.87 -0.20 0.00 -1.10 0.00 0.00 60.65 58.41 1oup s ILE 56 Cb -0.06 -1.51 -0.08 0.00 -1.06 0.00 0.00 42.46 39.76 1oup s ILE 56 CO -0.02 0.49 0.73 -2.16 -0.10 0.00 0.00 174.94 173.88 1oup s PRO 57 N 0.19 4.29 -1.23 2.79 0.04 -1.26 0.90 135.00 140.72 1oup s PRO 57 Ca -0.10 0.90 -0.13 0.00 0.04 0.00 0.00 61.00 61.71 1oup s PRO 57 Cb -0.15 -2.93 0.17 0.00 0.04 0.00 0.00 34.50 31.63 1oup s PRO 57 CO 0.05 0.42 1.52 -1.71 0.04 0.00 0.00 177.00 177.32 1oup n ASN 58 N 0.84 5.19 0.30 6.66 2.85 0.15 -4.84 115.26 126.41 1oup n ASN 58 Ca -0.03 -3.00 0.09 0.00 -0.11 0.00 0.00 54.58 51.54 1oup n ASN 58 Cb 0.51 -1.56 0.49 0.00 1.24 0.00 0.00 39.78 40.46 1oup n ASN 58 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1oup h LEU 59 N 9.46 0.00 0.01 1.20 3.38 -1.91 -1.31 115.31 126.14 1oup h LEU 59 Ca 0.34 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.22 1oup h LEU 59 Cb 0.83 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.59 1oup h LEU 59 CO 1.32 0.00 -0.35 -0.08 0.09 0.00 0.00 178.44 179.42 1oup h GLU 60 N 0.00 0.23 -0.16 1.13 4.57 -1.89 -2.30 114.58 116.16 1oup h GLU 60 Ca 0.00 -0.25 0.05 0.00 -1.18 0.00 0.00 59.36 57.97 1oup h GLU 60 Cb 1.07 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1oup h GLU 60 CO 0.00 0.98 0.16 1.79 -1.18 0.00 0.00 179.01 180.77 1oup h THR 61 N -0.43 0.53 -0.09 0.32 1.35 -1.65 -2.53 112.91 110.42 1oup h THR 61 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1oup h THR 61 Cb 1.11 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1oup h THR 61 CO 0.07 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.34 1oup n GLY 63 N -0.80 -0.31 3.69 0.00 0.00 -0.95 -4.35 105.19 102.47 1oup n GLY 63 Ca 0.13 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.69 3.49 -0.43 1.61 5.04 -0.87 -0.04 117.35 122.46 1oup s TYR 64 Ca 0.14 1.32 -0.14 0.00 -2.44 0.00 0.00 57.07 55.96 1oup s TYR 64 Cb -0.07 -2.99 0.04 0.00 0.35 0.00 0.00 41.96 39.29 1oup s TYR 64 CO 0.85 -0.14 0.32 -0.65 -1.34 0.00 0.00 175.55 174.59 1oup s GLN 65 N 1.69 2.92 0.17 4.97 -1.52 -0.71 -4.88 119.66 122.31 1oup s GLN 65 Ca 0.40 -1.18 -0.33 0.00 -1.95 0.00 0.00 55.36 52.30 1oup s GLN 65 Cb -0.17 -3.98 -0.15 0.00 -0.22 0.00 0.00 33.01 28.49 1oup s GLN 65 CO 0.16 -0.86 1.42 0.28 -0.25 0.00 0.00 175.29 176.04 1oup n VAL 66 N 5.13 0.42 -0.09 1.09 0.31 -1.26 -4.47 118.33 119.46 1oup n VAL 66 Ca -0.12 -0.11 -0.21 0.00 -0.01 0.00 0.00 64.34 63.90 1oup n VAL 66 Cb 0.45 -1.28 -0.12 0.00 -0.91 0.00 0.00 33.84 31.98 1oup n VAL 66 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1oup h ARG 67 N 4.77 0.03 0.00 5.55 2.43 -1.97 -3.48 114.38 121.71 1oup h ARG 67 Ca -0.45 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1oup h ARG 67 Cb 1.29 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1oup h ARG 67 CO 0.80 1.03 0.00 1.63 -1.51 0.00 0.00 179.97 181.92 1oup n LYS 68 N -4.36 0.00 -3.33 0.20 5.02 -1.26 -5.07 118.16 109.37 1oup n LYS 68 Ca -0.30 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.54 1oup n LYS 68 Cb 0.70 -0.08 -0.05 0.00 -0.02 0.00 0.00 35.03 35.58 1oup n LYS 68 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1oup s GLN 69 N -1.73 2.98 0.26 1.97 -0.21 -1.26 -4.92 119.66 116.74 1oup s GLN 69 Ca 0.00 -1.74 -0.05 0.00 0.02 0.00 0.00 55.36 53.59 1oup s GLN 69 Cb 0.00 -4.28 0.30 0.00 1.00 0.00 0.00 33.01 30.03 1oup s GLN 69 CO 0.00 -1.32 1.87 0.37 -2.12 0.00 0.00 175.29 174.09 1oup h GLN 70 N 8.82 1.14 0.61 2.91 5.75 -1.97 -2.46 115.11 129.91 1oup h GLN 70 Ca -0.28 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.06 1oup h GLN 70 Cb 1.10 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 29.41 1oup h GLN 70 CO 1.02 0.85 -0.51 1.15 -2.65 0.00 0.00 178.83 178.68 1oup h THR 71 N 1.14 0.00 -0.77 2.39 2.02 -1.99 -2.28 112.91 113.42 1oup h THR 71 Ca 0.28 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.43 1oup h THR 71 Cb 0.05 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.43 1oup h THR 71 CO -0.04 0.00 0.35 0.03 0.37 0.00 0.00 175.52 176.23 1oup h ARG 72 N -1.09 1.13 0.00 6.66 3.08 -1.92 -2.19 114.38 120.04 1oup h ARG 72 Ca -0.08 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1oup h ARG 72 Cb 0.92 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1oup h ARG 72 CO -0.01 0.89 0.00 0.00 -1.07 0.00 0.00 179.97 179.78 1oup h ALA 73 N 1.18 1.00 -0.62 0.04 0.00 -1.28 -1.79 119.26 117.78 1oup h ALA 73 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1oup h ALA 73 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1oup h ALA 73 CO -0.03 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.09 1oup n SER 74 N -3.05 3.95 -4.17 0.00 3.41 -0.82 -4.61 113.62 108.33 1oup n SER 74 Ca -0.03 -2.21 -0.12 0.00 -0.26 0.00 0.00 58.87 56.25 1oup n SER 74 Cb 0.07 -0.50 -0.10 0.00 -0.26 0.00 0.00 64.21 63.42 1oup n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oup s ARG 75 N -1.49 0.82 -0.23 4.33 1.70 -0.69 -4.24 118.95 119.15 1oup s ARG 75 Ca 0.45 -1.25 -0.14 0.00 -0.47 0.00 0.00 55.73 54.32 1oup s ARG 75 Cb 0.26 -0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.29 1oup s ARG 75 CO 0.26 0.02 0.32 0.42 -1.08 0.00 0.00 175.30 175.23 1oup s ILE 76 N -3.14 5.24 -0.01 4.99 -1.09 -0.72 -1.19 121.20 125.29 1oup s ILE 76 Ca 0.09 0.51 0.07 0.00 -2.23 0.00 0.00 60.65 59.08 1oup s ILE 76 Cb 0.02 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 1oup s ILE 76 CO -0.03 0.26 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.12 1oup s GLU 77 N 1.43 2.16 -0.12 2.79 2.02 -0.24 -4.66 118.70 122.08 1oup s GLU 77 Ca 0.14 -0.90 -0.29 0.00 0.02 0.00 0.00 54.97 53.93 1oup s GLU 77 Cb -0.15 -2.15 -0.01 0.00 0.10 0.00 0.00 34.13 31.92 1oup s GLU 77 CO 0.08 0.57 1.09 -1.58 0.02 0.00 0.00 175.26 175.43 1oup s TRP 78 N -0.74 3.34 -0.17 1.61 0.52 -1.26 -1.90 118.94 120.33 1oup s TRP 78 Ca 0.12 1.42 -0.19 0.00 0.02 0.00 0.00 56.10 57.46 1oup s TRP 78 Cb -0.10 -3.29 -0.03 0.00 -1.15 0.00 0.00 33.47 28.89 1oup s TRP 78 CO 0.01 -0.69 0.55 -2.00 0.02 0.00 0.00 176.95 174.85 1oup s GLU 79 N 2.42 4.25 -0.49 4.98 2.56 0.21 -4.91 118.70 127.71 1oup s GLU 79 Ca 0.50 0.51 -0.19 0.00 0.00 0.00 0.00 54.97 55.79 1oup s GLU 79 Cb -0.20 -3.53 0.05 0.00 2.00 0.00 0.00 34.13 32.46 1oup s GLU 79 CO 0.16 -0.09 0.59 0.00 -0.56 0.00 0.00 175.26 175.37 1oup s ALA 80 N 1.41 3.40 0.22 6.30 0.00 -1.26 -1.24 121.76 130.60 1oup s ALA 80 Ca 0.27 -1.70 -0.07 0.00 0.00 0.00 0.00 51.96 50.45 1oup s ALA 80 Cb -0.16 -3.30 0.35 0.00 0.00 0.00 0.00 23.12 20.02 1oup s ALA 80 CO 0.11 -1.93 1.73 0.28 0.00 0.00 0.00 175.76 175.94 1oup h VAL 81 N 5.84 0.70 -3.46 0.00 2.07 -1.25 -3.06 116.25 117.10 1oup h VAL 81 Ca -0.27 -0.14 -0.72 0.00 0.82 0.00 0.00 66.70 66.39 1oup h VAL 81 Cb 1.10 0.27 -0.21 0.00 -1.52 0.00 0.00 31.29 30.92 1oup h VAL 81 CO 0.94 0.07 -0.41 -0.69 0.02 0.00 0.00 177.57 177.50 1oup s VAL 82 N -6.07 5.23 0.55 2.57 1.01 -1.26 -5.04 120.40 117.40 1oup s VAL 82 Ca -0.13 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 1oup s VAL 82 Cb 0.19 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1oup s VAL 82 CO 0.75 -0.37 1.17 -2.65 0.00 0.00 0.00 175.10 174.00 1oup n PRO 83 N 5.16 1.35 -0.36 2.72 -0.02 -1.16 -4.89 135.00 137.80 1oup n PRO 83 Ca -0.11 0.50 -0.02 0.00 -2.02 0.00 0.00 63.50 61.85 1oup n PRO 83 Cb 0.46 -2.36 0.12 0.00 -0.02 0.00 0.00 33.50 31.71 1oup n PRO 83 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oup h ALA 84 N 1.09 1.29 -0.81 3.55 0.00 -1.96 -1.67 119.26 120.75 1oup h ALA 84 Ca -0.49 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.47 1oup h ALA 84 Cb 1.33 -0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1oup h ALA 84 CO 0.55 0.65 0.53 2.35 0.00 0.00 0.00 179.25 183.33 1oup h TRP 85 N 1.33 0.73 -0.39 0.00 7.01 -1.95 0.14 115.95 122.82 1oup h TRP 85 Ca 0.36 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 61.28 1oup h TRP 85 Cb -0.15 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 26.66 1oup h TRP 85 CO 0.00 0.31 -0.15 1.96 -2.79 0.00 0.00 178.44 177.76 1oup h GLN 86 N 0.65 0.72 -0.52 2.65 4.20 -1.65 -1.43 115.11 119.73 1oup h GLN 86 Ca 0.39 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1oup h GLN 86 Cb 0.61 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1oup h GLN 86 CO -0.16 0.83 0.00 1.97 -0.67 0.00 0.00 178.83 180.81 1oup n PHE 87 N -4.15 1.34 0.00 2.96 1.16 -0.40 -4.59 117.46 113.78 1oup n PHE 87 Ca 0.01 -0.67 0.00 0.00 -1.87 0.00 0.00 57.45 54.91 1oup n PHE 87 Cb 0.38 -0.28 0.00 0.00 -1.61 0.00 0.00 39.48 37.97 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 0.62 0.00 0.31 4.97 0.00 0.36 -4.85 105.19 106.61 1oup n GLY 88 Ca 0.23 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.46 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 0.01 1.61 2.07 -1.46 -2.63 115.15 114.75 1oup h HIS 89 Ca 0.00 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.32 1oup h HIS 89 Cb 0.03 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.03 1oup h HIS 89 CO 0.00 0.00 -0.80 0.45 -3.07 0.00 0.00 177.93 174.51 1oup h HIS 90 N 0.00 0.79 -3.20 6.12 3.86 -1.88 -3.43 115.15 117.40 1oup h HIS 90 Ca 0.00 -0.44 -0.58 0.00 -1.16 0.00 0.00 60.37 58.20 1oup h HIS 90 Cb 0.19 -0.09 0.13 0.00 1.06 0.00 0.00 27.41 28.70 1oup h HIS 90 CO 0.00 1.26 0.27 0.54 0.86 0.00 0.00 177.93 180.87 1oup n ARG 91 N -4.06 1.54 -0.22 2.45 1.74 -0.99 -4.83 116.66 112.29 1oup n ARG 91 Ca -0.11 0.55 0.10 0.00 -0.77 0.00 0.00 57.85 57.62 1oup n ARG 91 Cb 0.77 -2.15 0.38 0.00 -1.02 0.00 0.00 32.46 30.44 1oup n ARG 91 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1oup h GLN 92 N 1.73 0.66 -0.86 5.56 4.20 -1.91 0.14 115.11 124.63 1oup h GLN 92 Ca -0.45 -0.04 0.09 0.00 0.06 0.00 0.00 58.65 58.31 1oup h GLN 92 Cb 1.32 -0.15 -0.06 0.00 0.30 0.00 0.00 27.48 28.89 1oup h GLN 92 CO 0.58 0.44 0.56 0.00 -0.67 0.00 0.00 178.83 179.74 1oup h TRP 94 N 0.85 0.86 -0.61 0.00 2.91 -0.91 -2.19 115.95 116.85 1oup h TRP 94 Ca 0.39 -0.24 -0.00 0.00 1.13 0.00 0.00 58.89 60.17 1oup h TRP 94 Cb 0.40 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 28.83 1oup h TRP 94 CO -0.00 0.98 0.38 1.96 -1.03 0.00 0.00 178.44 180.73 1oup h GLN 95 N 0.61 0.82 0.07 2.65 7.50 -0.87 -0.79 115.11 125.10 1oup h GLN 95 Ca 0.06 -0.06 -0.00 0.00 0.50 0.00 0.00 58.65 59.14 1oup h GLN 95 Cb 0.90 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 28.25 1oup h GLN 95 CO 0.08 0.57 -0.03 0.87 -1.50 0.00 0.00 178.83 178.81 1oup h LYS 96 N 0.84 -0.09 -0.85 1.46 1.57 -1.28 -3.44 116.57 114.78 1oup h LYS 96 Ca 0.22 0.01 -0.34 0.00 -1.87 0.00 0.00 60.65 58.67 1oup h LYS 96 Cb -0.05 0.02 -0.36 0.00 0.08 0.00 0.00 32.23 31.92 1oup h LYS 96 CO -0.04 0.23 -1.07 0.41 -0.57 0.00 0.00 179.45 178.41 1oup n GLY 97 N 1.39 1.50 7.00 3.86 0.00 -0.84 -5.06 105.19 113.04 1oup n GLY 97 Ca -0.04 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.14 0.72 0.33 -0.02 0.00 -0.30 -1.68 105.19 104.10 1oup n GLY 98 Ca 0.07 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 0.16 0.47 1.61 2.43 -1.89 -2.60 114.38 114.56 1oup h ARG 99 Ca 0.00 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1oup h ARG 99 Cb 0.00 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1oup h ARG 99 CO 0.00 0.10 -0.28 -0.22 -1.51 0.00 0.00 179.97 178.07 1oup h LYS 100 N 0.16 -0.68 -0.33 0.20 3.11 -1.90 -0.55 116.57 116.59 1oup h LYS 100 Ca 0.18 0.05 0.05 0.00 -2.81 0.00 0.00 60.65 58.12 1oup h LYS 100 Cb 0.51 0.15 -0.05 0.00 -1.00 0.00 0.00 32.23 31.85 1oup h LYS 100 CO -0.03 -0.45 0.05 -0.97 -2.81 0.00 0.00 179.45 175.24 1oup h ASN 101 N -0.71 -0.03 -0.46 4.20 -0.73 -0.94 -2.55 115.58 114.36 1oup h ASN 101 Ca -0.05 0.06 0.01 0.00 1.87 0.00 0.00 56.30 58.19 1oup h ASN 101 Cb 0.57 0.09 -0.03 0.00 0.27 0.00 0.00 38.32 39.23 1oup h ASN 101 CO 0.06 0.02 0.29 0.00 -0.37 0.00 0.00 177.43 177.44 1oup n SER 103 N -4.79 4.02 0.00 0.00 2.88 -0.23 -1.37 113.62 114.13 1oup n SER 103 Ca 0.02 -2.20 0.00 0.00 -1.33 0.00 0.00 58.87 55.36 1oup n SER 103 Cb 0.04 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1oup n SER 103 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1oup n LYS 104 N 3.03 0.00 -0.00 -1.46 4.81 -1.09 -4.95 118.16 118.50 1oup n LYS 104 Ca 0.34 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.84 1oup n LYS 104 Cb 0.49 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.45 1oup n LYS 104 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1oup n ASN 105 N -0.60 2.07 -4.24 3.14 5.03 -0.73 -4.90 115.26 115.02 1oup n ASN 105 Ca 0.00 -0.11 -0.38 0.00 0.87 0.00 0.00 54.58 54.96 1oup n ASN 105 Cb 0.00 1.45 -0.11 0.00 -1.02 0.00 0.00 39.78 40.10 1oup n ASN 105 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1oup s ASP 106 N -3.16 5.40 0.23 6.41 3.68 -0.47 -4.98 116.67 123.78 1oup s ASP 106 Ca -0.03 -1.40 -0.04 0.00 2.13 0.00 0.00 52.55 53.21 1oup s ASP 106 Cb 0.08 -1.90 0.24 0.00 -1.45 0.00 0.00 42.92 39.90 1oup s ASP 106 CO 0.48 -0.43 1.71 -0.61 0.13 0.00 0.00 175.17 176.45 1oup h GLN 107 N 8.25 0.86 -0.20 4.34 5.75 -1.90 -1.61 115.11 130.59 1oup h GLN 107 Ca -0.22 -0.26 -0.03 0.00 -0.15 0.00 0.00 58.65 58.00 1oup h GLN 107 Cb 1.08 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.53 1oup h GLN 107 CO 0.67 0.88 0.01 0.37 -2.65 0.00 0.00 178.83 178.11 1oup h GLN 108 N 0.79 0.35 -0.67 1.69 4.15 -1.95 -2.32 115.11 117.16 1oup h GLN 108 Ca 0.15 -0.11 0.10 0.00 0.77 0.00 0.00 58.65 59.55 1oup h GLN 108 Cb 0.52 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.10 1oup h GLN 108 CO 0.03 0.54 0.30 0.35 -1.93 0.00 0.00 178.83 178.12 1oup h PHE 109 N 0.12 0.53 -0.96 3.99 3.57 -1.84 -0.55 116.94 121.80 1oup h PHE 109 Ca 0.06 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.63 1oup h PHE 109 Cb 0.38 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 1oup h PHE 109 CO 0.03 0.17 0.63 0.00 -2.23 0.00 0.00 178.31 176.91 1oup h ARG 110 N 0.51 1.16 -0.24 1.11 3.08 -1.07 -0.47 114.38 118.46 1oup h ARG 110 Ca 0.33 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.27 1oup h ARG 110 Cb 0.38 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1oup h ARG 110 CO -0.29 0.76 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.28 1oup h LEU 111 N 1.19 0.44 -0.27 3.04 3.38 -0.64 -2.62 115.31 119.83 1oup h LEU 111 Ca 0.38 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1oup h LEU 111 Cb 0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1oup h LEU 111 CO -0.12 0.67 0.15 0.24 0.09 0.00 0.00 178.44 179.46 1oup h MET 112 N 0.20 0.30 0.00 1.13 2.86 -0.45 -2.05 114.93 116.92 1oup h MET 112 Ca 0.07 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1oup h MET 112 Cb 0.46 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1oup h MET 112 CO 0.02 0.20 0.00 1.05 1.06 0.00 0.00 176.91 179.23 1oup h GLU 113 N 0.31 0.00 -0.09 1.72 4.11 -1.11 -2.68 114.58 116.83 1oup h GLU 113 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 1oup h GLU 113 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1oup h GLU 113 CO -0.06 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.02 1oup n ALA 114 N -1.91 2.45 -2.16 1.06 0.00 -0.92 -4.68 120.51 114.36 1oup n ALA 114 Ca 0.01 -0.73 -0.43 0.00 0.00 0.00 0.00 53.44 52.29 1oup n ALA 114 Cb 0.21 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.60 6.31 0.61 0.00 -1.08 -0.82 -4.81 116.67 115.28 1oup s ASP 115 Ca 0.26 1.41 0.34 0.00 -0.52 0.00 0.00 52.55 54.03 1oup s ASP 115 Cb 0.17 -2.53 1.98 0.00 -1.46 0.00 0.00 42.92 41.08 1oup s ASP 115 CO 0.26 -1.35 2.29 -0.07 0.52 0.00 0.00 175.17 176.81 1oup h LEU 116 N 12.05 0.00 -1.52 -1.34 3.38 -1.92 -1.92 115.31 124.05 1oup h LEU 116 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 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 1.02 0.00 0.00 0.45 0.09 0.00 0.00 178.44 180.00 1oup h HIS 117 N 0.00 0.00 -0.15 1.13 3.86 -1.97 -2.25 115.15 115.77 1oup h HIS 117 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1oup h HIS 117 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1oup h HIS 117 CO 0.00 0.00 0.00 -1.71 0.86 0.00 0.00 177.93 177.08 1oup n ASN 118 N -2.76 2.91 -4.48 2.45 5.15 -0.72 -4.85 115.26 112.97 1oup n ASN 118 Ca 0.00 -1.89 -0.35 0.00 -0.60 0.00 0.00 54.58 51.75 1oup n ASN 118 Cb 0.21 -0.09 -0.12 0.00 -0.53 0.00 0.00 39.78 39.26 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 -1.57 3.32 0.07 1.20 1.02 -0.85 -0.61 118.68 121.26 1oup s LEU 119 Ca 0.28 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 54.28 1oup s LEU 119 Cb 0.18 -1.83 -0.04 0.00 0.02 0.00 0.00 46.19 44.52 1oup s LEU 119 CO 0.26 0.09 -0.05 0.42 0.02 0.00 0.00 176.35 177.10 1oup s THR 120 N 0.83 0.47 -0.24 5.49 -4.23 -0.37 -4.96 115.64 112.63 1oup s THR 120 Ca 0.01 -1.75 -0.20 0.00 -1.18 0.00 0.00 61.69 58.57 1oup s THR 120 Cb -0.14 -1.44 -0.02 0.00 1.34 0.00 0.00 72.50 72.24 1oup s THR 120 CO 0.02 -0.85 0.60 -2.16 -0.54 0.00 0.00 174.62 171.69 1oup s PRO 121 N -3.51 4.13 0.20 3.99 0.04 -1.26 0.65 135.00 139.23 1oup s PRO 121 Ca 0.06 0.51 0.05 0.00 0.04 0.00 0.00 61.00 61.66 1oup s PRO 121 Cb 0.04 -3.63 -0.05 0.00 0.04 0.00 0.00 34.50 30.90 1oup s PRO 121 CO -0.06 -0.34 -0.07 0.00 0.04 0.00 0.00 177.00 176.57 1oup s ALA 122 N 2.26 1.75 0.03 8.56 0.00 -0.80 -0.31 121.76 133.25 1oup s ALA 122 Ca 0.26 -1.65 -0.30 0.00 0.00 0.00 0.00 51.96 50.26 1oup s ALA 122 Cb -0.16 0.20 -0.07 0.00 0.00 0.00 0.00 23.12 23.10 1oup s ALA 122 CO 0.09 -0.13 1.52 0.42 0.00 0.00 0.00 175.76 177.67 1oup s ILE 123 N -3.28 3.39 0.31 0.00 1.01 -1.26 -1.08 121.20 120.28 1oup s ILE 123 Ca 0.23 0.80 0.04 0.00 0.00 0.00 0.00 60.65 61.72 1oup s ILE 123 Cb 0.03 -3.52 0.36 0.00 0.01 0.00 0.00 42.46 39.34 1oup s ILE 123 CO 0.05 -0.00 1.61 1.23 0.00 0.00 0.00 174.94 177.83 1oup h GLY 124 N 8.46 1.41 1.19 6.18 0.00 -0.99 0.35 103.07 119.67 1oup h GLY 124 Ca -0.40 0.04 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 1oup h GLY 124 CO 0.92 -0.48 0.01 -2.09 0.00 0.00 0.00 176.54 174.89 1oup h GLU 125 N 0.10 0.97 -0.54 4.80 4.81 -1.82 0.17 114.58 123.07 1oup h GLU 125 Ca 0.60 -0.29 -0.07 0.00 -0.13 0.00 0.00 59.36 59.48 1oup h GLU 125 Cb 1.29 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1oup h GLU 125 CO -0.78 0.95 0.06 0.28 -0.73 0.00 0.00 179.01 178.79 1oup h VAL 126 N 0.90 1.26 -0.78 0.32 2.07 -0.80 -1.27 116.25 117.94 1oup h VAL 126 Ca 0.17 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.70 1oup h VAL 126 Cb 0.51 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1oup h VAL 126 CO 0.03 0.36 0.51 -1.13 0.02 0.00 0.00 177.57 177.35 1oup h ASN 127 N 0.79 0.86 -0.40 0.57 -1.24 -0.14 -1.72 115.58 114.30 1oup h ASN 127 Ca 0.16 -0.01 -0.14 0.00 0.71 0.00 0.00 56.30 57.01 1oup h ASN 127 Cb 0.44 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.28 1oup h ASN 127 CO 0.02 0.61 -0.29 1.23 -1.29 0.00 0.00 177.43 177.70 1oup h GLY 128 N 1.02 1.01 1.95 1.57 0.00 -0.21 -3.15 103.07 105.26 1oup h GLY 128 Ca 0.30 -0.95 -0.14 0.00 0.00 0.00 0.00 47.33 46.54 1oup h GLY 128 CO -0.08 0.86 -0.65 -0.55 0.00 0.00 0.00 176.54 176.12 1oup h ASP 129 N 0.78 0.05 0.06 0.19 3.32 -1.07 -3.12 116.42 116.64 1oup h ASP 129 Ca 0.09 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1oup h ASP 129 Cb 0.87 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 1oup h ASP 129 CO 0.08 0.68 -0.22 -0.09 -1.72 0.00 0.00 179.24 177.97 1oup h ARG 130 N 0.03 0.28 0.00 3.56 1.12 -1.29 -3.47 114.38 114.61 1oup h ARG 130 Ca -0.01 -0.09 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 1oup h ARG 130 Cb 1.15 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.08 1oup h ARG 130 CO 0.09 0.49 0.00 0.43 -3.11 0.00 0.00 179.97 177.87 1oup n SER 131 N -4.18 0.00 -1.34 -3.80 7.64 -1.18 -1.31 113.62 109.45 1oup n SER 131 Ca -0.01 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1oup n SER 131 Cb 0.34 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.75 1oup n SER 131 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1oup n ASN 132 N 3.38 2.84 -4.82 6.43 0.23 -1.26 -4.94 115.26 117.11 1oup n ASN 132 Ca 0.00 -3.69 -0.33 0.00 -0.53 0.00 0.00 54.58 50.03 1oup n ASN 132 Cb 0.00 -0.67 -0.07 0.00 -2.08 0.00 0.00 39.78 36.97 1oup n ASN 132 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1oup s PHE 133 N -3.22 3.37 0.66 -2.53 0.08 -0.43 -4.89 117.98 111.01 1oup s PHE 133 Ca 0.47 1.54 -0.11 0.00 0.12 0.00 0.00 56.93 58.94 1oup s PHE 133 Cb 0.41 -2.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.07 1oup s PHE 133 CO 0.02 -0.02 1.05 -0.80 -0.10 0.00 0.00 175.22 175.37 1oup s ASN 134 N -2.13 5.76 0.46 1.36 0.02 -1.25 -4.80 114.94 114.36 1oup s ASN 134 Ca 0.59 1.55 -0.05 0.00 -1.02 0.00 0.00 52.86 53.93 1oup s ASN 134 Cb -0.10 -2.49 -0.04 0.00 0.02 0.00 0.00 41.25 38.64 1oup s ASN 134 CO 0.15 -1.19 0.76 -0.36 0.02 0.00 0.00 177.10 176.49 1oup s PHE 135 N -3.05 3.55 0.23 2.20 0.40 -1.26 -1.89 117.98 118.15 1oup s PHE 135 Ca 0.57 0.80 -0.21 0.00 -0.60 0.00 0.00 56.93 57.49 1oup s PHE 135 Cb -0.13 -2.28 0.07 0.00 0.51 0.00 0.00 43.02 41.19 1oup s PHE 135 CO 0.53 -0.23 0.96 0.45 0.70 0.00 0.00 175.22 177.63 1oup s SER 136 N -4.00 -0.02 0.05 1.36 0.15 -0.36 -4.80 113.70 106.09 1oup s SER 136 Ca 0.47 -0.75 0.02 0.00 0.70 0.00 0.00 55.95 56.39 1oup s SER 136 Cb -0.10 0.59 -0.03 0.00 -1.71 0.00 0.00 66.02 64.77 1oup s SER 136 CO 0.43 -1.16 -0.07 -1.58 1.20 0.00 0.00 173.24 172.06 1oup s GLN 137 N -2.38 0.56 0.02 5.44 0.74 -1.26 -4.02 119.66 118.76 1oup s GLN 137 Ca 0.19 -0.84 -0.20 0.00 0.05 0.00 0.00 55.36 54.57 1oup s GLN 137 Cb -0.03 -0.25 0.07 0.00 1.10 0.00 0.00 33.01 33.89 1oup s GLN 137 CO 0.06 0.03 0.89 -2.67 -0.55 0.00 0.00 175.29 173.06 1oup n TRP 138 N 1.24 -0.48 -4.41 1.67 2.14 -1.26 -5.10 117.44 111.24 1oup n TRP 138 Ca -0.21 -0.60 -0.25 0.00 2.07 0.00 0.00 57.50 58.51 1oup n TRP 138 Cb 0.56 0.28 -0.11 0.00 -0.81 0.00 0.00 31.31 31.22 1oup n TRP 138 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 1oup s ASN 139 N -3.01 3.27 0.00 -0.67 2.20 -1.26 -5.08 114.94 110.40 1oup s ASN 139 Ca 0.21 -0.90 0.00 0.00 -0.94 0.00 0.00 52.86 51.23 1oup s ASN 139 Cb -0.01 -0.24 0.00 0.00 -2.00 0.00 0.00 41.25 39.00 1oup s ASN 139 CO 0.00 0.06 0.00 0.61 -2.94 0.00 0.00 177.10 174.84 1oup n GLY 140 N 0.08 -1.39 3.56 0.45 0.00 -1.26 -4.77 105.19 101.86 1oup n GLY 140 Ca -0.11 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.93 3.87 -0.46 1.61 1.01 -1.26 -4.82 120.40 117.42 1oup s VAL 141 Ca 0.00 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.48 1oup s VAL 141 Cb 0.00 -5.00 0.42 0.00 0.00 0.00 0.00 36.38 31.79 1oup s VAL 141 CO 0.00 -1.90 1.17 -0.67 0.00 0.00 0.00 175.10 173.70 1oup n ASP 142 N 9.12 4.90 0.00 3.32 2.03 -1.26 -5.02 116.55 129.64 1oup n ASP 142 Ca 0.28 -3.73 0.00 0.00 0.52 0.00 0.00 54.79 51.86 1oup n ASP 142 Cb 0.51 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 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 -0.49 1.46 3.82 0.27 0.00 -1.26 -4.48 105.19 104.51 1oup n GLY 143 Ca 0.40 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.99 4.48 0.20 1.61 0.11 -0.86 -4.75 120.40 119.21 1oup s VAL 144 Ca 0.00 1.36 0.00 0.00 -2.93 0.00 0.00 61.98 60.41 1oup s VAL 144 Cb 0.00 -3.78 0.00 0.00 -1.53 0.00 0.00 36.38 31.08 1oup s VAL 144 CO 0.00 -0.02 0.03 -0.24 -3.33 0.00 0.00 175.10 171.54 1oup n SER 145 N 0.13 2.38 -2.80 3.54 2.88 -1.26 -1.71 113.62 116.78 1oup n SER 145 Ca 0.02 -1.83 -0.15 0.00 -1.33 0.00 0.00 58.87 55.58 1oup n SER 145 Cb 0.52 0.11 0.01 0.00 -0.75 0.00 0.00 64.21 64.09 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 -0.58 1.37 0.00 0.66 4.02 -1.09 -4.89 117.16 116.66 1oup n TYR 146 Ca -0.07 -3.19 0.00 0.00 -0.01 0.00 0.00 57.90 54.63 1oup n TYR 146 Cb 0.25 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 39.21 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 -0.04 3.37 0.24 2.72 0.00 -1.26 -1.73 105.19 108.48 1oup n GLY 147 Ca 0.19 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1oup n GLY 147 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1oup h ARG 148 N 0.00 0.00 -6.55 1.61 2.47 -0.68 -3.41 114.38 107.82 1oup h ARG 148 Ca 0.00 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.16 1oup h ARG 148 Cb 0.00 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.26 1oup h ARG 148 CO 0.00 0.15 0.93 0.00 0.56 0.00 0.00 179.97 181.61 1oup n GLU 150 N 7.57 2.69 -3.67 0.00 1.02 -1.26 -2.66 120.64 124.33 1oup n GLU 150 Ca 0.13 -2.20 -0.36 0.00 -0.02 0.00 0.00 57.16 54.70 1oup n GLU 150 Cb 0.48 -2.21 -0.09 0.00 -0.02 0.00 0.00 31.44 29.59 1oup n GLU 150 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1oup s MET 151 N -0.85 4.08 -0.18 3.49 1.75 -1.26 -3.99 119.30 122.34 1oup s MET 151 Ca 0.61 -0.27 -0.04 0.00 -1.25 0.00 0.00 55.69 54.73 1oup s MET 151 Cb 0.33 -3.53 -0.03 0.00 2.84 0.00 0.00 34.83 34.45 1oup s MET 151 CO -0.15 0.07 -0.02 -0.65 -0.65 0.00 0.00 175.02 173.63 1oup s GLN 152 N 1.02 3.64 -0.16 4.11 -0.21 0.92 -4.16 119.66 124.83 1oup s GLN 152 Ca 0.07 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 54.95 1oup s GLN 152 Cb -0.13 -3.01 0.00 0.00 1.00 0.00 0.00 33.01 30.87 1oup s GLN 152 CO 0.04 0.11 -0.18 0.08 -2.12 0.00 0.00 175.29 173.22 1oup s VAL 153 N 0.73 2.40 -0.59 1.09 1.01 -0.69 0.05 120.40 124.40 1oup s VAL 153 Ca -0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 1oup s VAL 153 Cb -0.14 -2.00 0.15 0.00 0.00 0.00 0.00 36.38 34.39 1oup s VAL 153 CO 0.02 0.53 0.42 0.21 0.00 0.00 0.00 175.10 176.27 1oup s ASN 154 N 0.90 5.42 0.24 3.32 3.84 0.29 -2.03 114.94 126.93 1oup s ASN 154 Ca -0.04 -2.60 -0.05 0.00 0.21 0.00 0.00 52.86 50.38 1oup s ASN 154 Cb -0.15 -1.90 0.36 0.00 -0.55 0.00 0.00 41.25 39.02 1oup s ASN 154 CO -0.02 -0.45 1.82 -0.26 -2.79 0.00 0.00 177.10 175.39 1oup h PHE 155 N 7.42 0.87 0.91 0.43 -1.00 -1.92 -1.23 116.94 122.42 1oup h PHE 155 Ca -0.05 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.72 1oup h PHE 155 Cb 0.99 -0.27 0.01 0.00 3.61 0.00 0.00 35.95 40.29 1oup h PHE 155 CO 0.70 0.39 -0.46 0.87 -1.61 0.00 0.00 178.31 178.20 1oup h LYS 156 N 0.83 -1.21 -0.03 1.51 1.57 -1.96 -2.78 116.57 114.51 1oup h LYS 156 Ca 0.38 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1oup h LYS 156 Cb 0.29 0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1oup h LYS 156 CO -0.22 -0.80 0.00 1.04 -0.57 0.00 0.00 179.45 178.90 1oup n GLN 157 N -5.63 1.08 -3.69 3.15 6.02 -1.20 -4.92 117.38 112.19 1oup n GLN 157 Ca -0.16 -0.13 -0.30 0.00 -0.01 0.00 0.00 57.00 56.41 1oup n GLN 157 Cb 0.50 -1.18 0.04 0.00 1.02 0.00 0.00 30.24 30.62 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 -0.54 -1.71 -3.86 -1.09 1.74 -0.52 -5.00 116.66 105.68 1oup n ARG 158 Ca 0.08 0.48 -0.11 0.00 -0.77 0.00 0.00 57.85 57.53 1oup n ARG 158 Cb 0.06 -4.30 -0.10 0.00 -1.02 0.00 0.00 32.46 27.10 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 -5.97 0.44 -0.03 5.56 -2.85 -0.86 -3.82 119.74 112.22 1oup s LYS 159 Ca 0.40 -0.28 0.01 0.00 -1.00 0.00 0.00 55.97 55.10 1oup s LYS 159 Cb -0.14 0.19 0.01 0.00 -2.06 0.00 0.00 37.83 35.83 1oup s LYS 159 CO 0.86 -0.10 -0.04 0.54 0.10 0.00 0.00 175.35 176.70 1oup s VAL 160 N -1.13 0.43 -0.33 1.79 0.11 -0.80 -0.55 120.40 119.93 1oup s VAL 160 Ca -0.12 -0.13 -0.10 0.00 -2.93 0.00 0.00 61.98 58.71 1oup s VAL 160 Cb -0.06 -0.43 0.01 0.00 -1.53 0.00 0.00 36.38 34.36 1oup s VAL 160 CO 0.01 0.17 0.16 -0.32 -3.33 0.00 0.00 175.10 171.79 1oup s MET 161 N 0.52 3.10 0.54 1.54 1.75 0.11 -1.22 119.30 125.64 1oup s MET 161 Ca -0.06 -0.88 -0.03 0.00 -1.25 0.00 0.00 55.69 53.47 1oup s MET 161 Cb -0.10 -3.59 0.00 0.00 2.84 0.00 0.00 34.83 33.99 1oup s MET 161 CO -0.00 -0.53 0.81 -1.25 -0.65 0.00 0.00 175.02 173.41 1oup s PRO 162 N 1.57 2.96 0.54 4.11 0.04 -1.26 -0.05 135.00 142.91 1oup s PRO 162 Ca 0.03 -0.20 -0.20 0.00 0.04 0.00 0.00 61.00 60.67 1oup s PRO 162 Cb -0.18 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 1oup s PRO 162 CO 0.06 -0.54 1.18 -2.14 0.04 0.00 0.00 177.00 175.60 1oup s PRO 163 N -4.83 3.28 0.43 0.56 0.02 -1.26 -4.86 135.00 128.35 1oup s PRO 163 Ca 0.52 1.78 0.19 0.00 0.02 0.00 0.00 61.00 63.51 1oup s PRO 163 Cb -0.10 -2.08 1.14 0.00 0.02 0.00 0.00 34.50 33.47 1oup s PRO 163 CO 0.42 -0.95 1.86 -0.44 -0.33 0.00 0.00 177.00 177.56 1oup h ASP 164 N 1.28 0.35 -0.18 2.53 3.32 -1.93 0.09 116.42 121.89 1oup h ASP 164 Ca -0.50 0.04 0.05 0.00 0.02 0.00 0.00 57.03 56.64 1oup h ASP 164 Cb 1.28 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1oup h ASP 164 CO 0.57 0.14 0.23 0.08 -1.72 0.00 0.00 179.24 178.53 1oup h ARG 165 N 0.35 0.00 0.00 3.56 0.11 -1.90 -2.09 114.38 114.41 1oup h ARG 165 Ca 0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.55 1oup h ARG 165 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1oup h ARG 165 CO -0.16 0.00 -0.89 0.00 0.10 0.00 0.00 179.97 179.02 1oup n ALA 166 N -2.29 4.00 -0.12 0.08 0.00 0.01 -4.69 120.51 117.51 1oup n ALA 166 Ca 0.02 -0.46 -0.07 0.00 0.00 0.00 0.00 53.44 52.93 1oup n ALA 166 Cb 0.35 -0.60 0.02 0.00 0.00 0.00 0.00 19.45 19.21 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 0.37 -0.01 0.00 3.08 -1.28 -0.92 114.38 115.62 1oup h ARG 167 Ca 0.00 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.04 1oup h ARG 167 Cb 0.43 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1oup h ARG 167 CO 0.00 0.25 -0.06 0.78 -1.07 0.00 0.00 179.97 179.87 1oup h GLY 168 N 0.38 -0.05 1.50 0.04 0.00 -1.74 -0.49 103.07 102.72 1oup h GLY 168 Ca 0.16 0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.48 1oup h GLY 168 CO -0.12 -0.06 -0.12 0.23 0.00 0.00 0.00 176.54 176.47 1oup h SER 169 N -0.10 0.58 0.16 0.19 0.87 -1.82 -1.41 113.55 112.02 1oup h SER 169 Ca 0.03 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1oup h SER 169 Cb 0.13 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1oup h SER 169 CO -0.07 0.73 -0.08 0.40 -0.53 0.00 0.00 176.83 177.29 1oup h ILE 170 N 0.55 0.88 0.13 2.23 2.04 -0.80 -0.32 117.51 122.21 1oup h ILE 170 Ca 0.10 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.81 1oup h ILE 170 Cb 0.53 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1oup h ILE 170 CO 0.03 0.04 -0.26 0.00 0.00 0.00 0.00 178.15 177.96 1oup h ALA 171 N 0.53 -0.45 -0.08 1.87 0.00 -0.90 -0.72 119.26 119.50 1oup h ALA 171 Ca -0.02 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1oup h ALA 171 Cb 0.23 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1oup h ALA 171 CO 0.04 -0.80 0.07 0.00 0.00 0.00 0.00 179.25 178.56 1oup h ARG 172 N -0.48 0.00 0.15 0.00 3.08 -1.11 0.83 114.38 116.85 1oup h ARG 172 Ca 0.03 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.78 1oup h ARG 172 Cb 0.50 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.57 1oup h ARG 172 CO -0.15 0.00 -1.28 1.15 -1.07 0.00 0.00 179.97 178.62 1oup h THR 173 N 0.00 1.35 -0.22 2.04 2.02 -0.35 -2.13 112.91 115.61 1oup h THR 173 Ca 0.04 -2.68 -0.04 0.00 0.77 0.00 0.00 66.41 64.50 1oup h THR 173 Cb 0.18 2.83 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 1oup h THR 173 CO -0.00 0.80 -0.03 1.88 0.37 0.00 0.00 175.52 178.54 1oup h TYR 174 N 0.18 0.46 -0.22 3.16 -1.99 -0.40 -0.06 116.97 118.11 1oup h TYR 174 Ca -0.18 -0.09 0.05 0.00 2.00 0.00 0.00 58.73 60.51 1oup h TYR 174 Cb 1.97 -0.12 -0.05 0.00 2.00 0.00 0.00 36.73 40.53 1oup h TYR 174 CO 0.10 0.63 -0.12 -0.07 -0.00 0.00 0.00 178.16 178.70 1oup h LEU 175 N 0.16 -0.40 0.34 3.88 4.07 -0.90 0.33 115.31 122.79 1oup h LEU 175 Ca 0.06 0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 1oup h LEU 175 Cb 0.47 0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.43 1oup h LEU 175 CO 0.02 -0.16 -0.18 0.22 -1.08 0.00 0.00 178.44 177.26 1oup h TYR 176 N -0.10 -0.48 -0.97 1.13 3.20 -1.26 -1.62 116.97 116.87 1oup h TYR 176 Ca 0.12 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.05 1oup h TYR 176 Cb 0.29 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.65 1oup h TYR 176 CO -0.29 -0.29 0.62 0.52 -1.64 0.00 0.00 178.16 177.08 1oup h MET 177 N -0.49 1.07 -0.39 1.82 2.86 -0.85 0.25 114.93 119.19 1oup h MET 177 Ca -0.04 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1oup h MET 177 Cb 0.39 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1oup h MET 177 CO 0.06 0.71 0.22 1.03 1.06 0.00 0.00 176.91 179.99 1oup h SER 178 N 1.11 0.34 0.00 1.22 0.87 -0.54 -2.12 113.55 114.43 1oup h SER 178 Ca 0.43 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.95 1oup h SER 178 Cb 0.21 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1oup h SER 178 CO -0.19 0.25 -0.19 -0.61 -0.53 0.00 0.00 176.83 175.56 1oup h GLN 179 N 0.44 0.13 -0.76 2.24 4.15 -0.67 -2.05 115.11 118.59 1oup h GLN 179 Ca 0.16 -0.14 0.03 0.00 0.77 0.00 0.00 58.65 59.46 1oup h GLN 179 Cb 0.03 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 1oup h GLN 179 CO -0.09 0.90 0.50 1.49 -1.93 0.00 0.00 178.83 179.70 1oup h GLU 180 N -0.58 0.93 -0.35 1.69 4.57 -0.57 -3.10 114.58 117.17 1oup h GLU 180 Ca -0.02 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1oup h GLU 180 Cb 0.97 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1oup h GLU 180 CO 0.04 0.62 0.00 0.66 -1.18 0.00 0.00 179.01 179.14 1oup n TYR 181 N -4.44 0.46 -3.49 0.92 4.02 -0.80 -5.02 117.16 108.81 1oup n TYR 181 Ca 0.09 -0.46 -0.20 0.00 -0.01 0.00 0.00 57.90 57.32 1oup n TYR 181 Cb 0.09 -0.02 0.08 0.00 -0.02 0.00 0.00 39.34 39.47 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 0.60 -0.43 3.02 2.72 0.00 -0.83 -5.04 105.19 105.23 1oup n GLY 182 Ca 0.12 0.17 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.33 1.64 0.54 1.61 -0.12 -0.87 -5.05 117.98 112.40 1oup s PHE 183 Ca 0.29 -0.69 -0.16 0.00 -0.05 0.00 0.00 56.93 56.33 1oup s PHE 183 Cb -0.13 -1.21 -0.06 0.00 -0.63 0.00 0.00 43.02 40.99 1oup s PHE 183 CO 0.72 -0.37 1.01 -0.65 -0.05 0.00 0.00 175.22 175.87 1oup s GLN 184 N 0.90 3.77 0.30 1.99 -0.21 -1.26 -4.51 119.66 120.64 1oup s GLN 184 Ca -0.10 0.98 0.01 0.00 0.02 0.00 0.00 55.36 56.28 1oup s GLN 184 Cb -0.15 -2.11 -0.03 0.00 1.00 0.00 0.00 33.01 31.72 1oup s GLN 184 CO 0.01 -0.42 0.48 -0.51 -2.12 0.00 0.00 175.29 172.73 1oup s LEU 185 N -4.30 4.12 1.08 2.90 1.43 -1.26 -5.08 118.68 117.56 1oup s LEU 185 Ca 0.59 0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 53.94 1oup s LEU 185 Cb -0.11 -3.20 0.24 0.00 0.03 0.00 0.00 46.19 43.14 1oup s LEU 185 CO 0.35 -0.20 1.06 -0.94 0.23 0.00 0.00 176.35 176.85 1oup s SER 186 N -3.85 1.79 0.09 2.29 1.04 -1.26 -4.66 113.70 109.13 1oup s SER 186 Ca 0.39 1.41 -0.34 0.00 0.48 0.00 0.00 55.95 57.88 1oup s SER 186 Cb -0.10 -2.13 -0.16 0.00 0.10 0.00 0.00 66.02 63.74 1oup s SER 186 CO 0.33 -3.68 1.59 0.50 0.98 0.00 0.00 173.24 172.96 1oup h LYS 187 N -2.27 -0.89 0.00 4.02 3.64 -1.99 0.11 116.57 119.20 1oup h LYS 187 Ca -0.58 0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 58.81 1oup h LYS 187 Cb 1.33 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.34 1oup h LYS 187 CO 0.53 -0.59 -0.24 -0.56 -2.27 0.00 0.00 179.45 176.32 1oup h GLN 188 N -0.92 0.00 0.01 1.90 3.07 -2.00 -2.58 115.11 114.60 1oup h GLN 188 Ca -0.06 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.45 1oup h GLN 188 Cb 0.79 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.35 1oup h GLN 188 CO -0.00 0.24 -0.98 0.37 0.09 0.00 0.00 178.83 178.54 1oup h GLN 189 N 0.00 0.43 -0.63 0.06 5.75 -1.84 -1.96 115.11 116.92 1oup h GLN 189 Ca -0.00 -0.48 -0.04 0.00 -0.15 0.00 0.00 58.65 57.98 1oup h GLN 189 Cb 0.48 0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 1oup h GLN 189 CO 0.03 1.14 0.24 0.37 -2.65 0.00 0.00 178.83 177.96 1oup h GLN 190 N 0.24 0.95 -0.03 1.69 5.75 -0.50 -1.78 115.11 121.43 1oup h GLN 190 Ca -0.09 -0.18 -0.14 0.00 -0.15 0.00 0.00 58.65 58.09 1oup h GLN 190 Cb 1.62 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 30.01 1oup h GLN 190 CO 0.17 0.81 -0.61 0.37 -2.65 0.00 0.00 178.83 176.92 1oup h GLN 191 N 0.89 0.11 -0.23 1.69 -0.00 -1.45 -2.24 115.11 113.89 1oup h GLN 191 Ca 0.21 -0.08 -0.09 0.00 -0.00 0.00 0.00 58.65 58.69 1oup h GLN 191 Cb 0.22 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.71 1oup h GLN 191 CO -0.02 0.69 -0.19 1.25 0.00 0.00 0.00 178.83 180.56 1oup h LEU 192 N 0.08 0.57 -0.59 -2.39 5.85 -1.06 -2.11 115.31 115.66 1oup h LEU 192 Ca -0.01 -0.46 -0.09 0.00 0.84 0.00 0.00 57.88 58.17 1oup h LEU 192 Cb 1.09 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 1oup h LEU 192 CO 0.09 0.90 0.03 0.24 -0.34 0.00 0.00 178.44 179.36 1oup h MET 193 N 0.24 1.02 -0.06 1.25 2.86 -1.31 -0.33 114.93 118.60 1oup h MET 193 Ca 0.04 -0.31 0.01 0.00 -2.06 0.00 0.00 59.70 57.38 1oup h MET 193 Cb 0.73 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1oup h MET 193 CO 0.05 1.00 0.02 1.96 1.06 0.00 0.00 176.91 180.99 1oup h GLN 194 N 0.92 0.05 -0.11 1.72 1.08 -1.38 0.11 115.11 117.50 1oup h GLN 194 Ca 0.17 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1oup h GLN 194 Cb 0.52 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 1oup h GLN 194 CO 0.03 0.03 0.07 0.00 -0.95 0.00 0.00 178.83 178.00 1oup h ALA 195 N 1.04 0.14 -0.80 3.87 0.00 -1.19 -2.34 119.26 119.97 1oup h ALA 195 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1oup h ALA 195 Cb 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1oup h ALA 195 CO -0.03 -0.37 0.44 -1.49 0.00 0.00 0.00 179.25 177.81 1oup h TRP 196 N 0.13 1.09 -0.85 0.00 4.06 -0.84 0.12 115.95 119.66 1oup h TRP 196 Ca 0.04 -0.02 0.01 0.00 2.06 0.00 0.00 58.89 60.98 1oup h TRP 196 Cb 0.00 -0.35 -0.04 0.00 -1.00 0.00 0.00 29.16 27.77 1oup h TRP 196 CO -0.07 0.76 0.56 -0.97 -3.56 0.00 0.00 178.44 175.16 1oup h ASN 197 N 1.12 0.97 -0.04 -3.49 -1.24 -0.47 -1.28 115.58 111.16 1oup h ASN 197 Ca 0.28 -0.02 -0.07 0.00 0.71 0.00 0.00 56.30 57.20 1oup h ASN 197 Cb 0.02 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 38.83 1oup h ASN 197 CO -0.05 0.70 -0.26 0.50 -1.29 0.00 0.00 177.43 177.03 1oup h LYS 198 N 1.15 0.25 -0.17 6.67 1.63 -0.82 -3.34 116.57 121.94 1oup h LYS 198 Ca 0.32 -0.22 -0.06 0.00 -0.85 0.00 0.00 60.65 59.84 1oup h LYS 198 Cb -0.12 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 1oup h LYS 198 CO -0.07 0.88 -0.15 0.77 -3.45 0.00 0.00 179.45 177.43 1oup h SER 199 N -0.30 0.27 -4.04 4.20 0.02 -0.68 -3.38 113.55 109.63 1oup h SER 199 Ca -0.02 -0.06 -0.63 0.00 -0.84 0.00 0.00 61.79 60.24 1oup h SER 199 Cb 0.94 -0.07 -0.41 0.00 0.14 0.00 0.00 62.40 63.00 1oup h SER 199 CO 0.05 0.44 -0.67 -0.31 -1.14 0.00 0.00 176.83 175.21 1oup s TYR 200 N -4.69 2.74 0.97 3.45 1.51 -0.49 -5.08 117.35 115.76 1oup s TYR 200 Ca -0.06 -2.89 -0.11 0.00 -1.01 0.00 0.00 57.07 53.00 1oup s TYR 200 Cb 0.15 -2.47 0.18 0.00 -0.11 0.00 0.00 41.96 39.70 1oup s TYR 200 CO 0.74 -0.76 1.09 -1.25 -1.11 0.00 0.00 175.55 174.27 1oup s PRO 201 N -0.03 0.60 0.42 -1.71 0.04 -1.26 -4.23 135.00 128.83 1oup s PRO 201 Ca 0.17 1.12 -0.25 0.00 0.04 0.00 0.00 61.00 62.08 1oup s PRO 201 Cb -0.25 -1.71 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 1oup s PRO 201 CO -0.00 -2.78 1.16 0.14 0.04 0.00 0.00 177.00 175.57 1oup s VAL 202 N -2.69 3.17 0.44 -0.36 -7.23 -1.26 -4.95 120.40 107.52 1oup s VAL 202 Ca 0.66 0.95 0.04 0.00 -1.81 0.00 0.00 61.98 61.82 1oup s VAL 202 Cb -0.22 -3.52 0.04 0.00 0.56 0.00 0.00 36.38 33.25 1oup s VAL 202 CO 0.59 0.06 0.35 -0.90 -0.31 0.00 0.00 175.10 174.89 1oup n ASP 203 N -0.09 2.35 -0.16 4.85 5.68 -1.26 -5.00 116.55 122.92 1oup n ASP 203 Ca 0.05 -2.49 -0.03 0.00 -0.50 0.00 0.00 54.79 51.82 1oup n ASP 203 Cb 0.47 -0.05 0.06 0.00 -1.14 0.00 0.00 41.12 40.46 1oup n ASP 203 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1oup h GLU 204 N 0.00 0.39 -0.16 0.11 9.09 -2.00 -2.87 114.58 119.14 1oup h GLU 204 Ca -0.27 -0.02 -0.00 0.00 0.05 0.00 0.00 59.36 59.11 1oup h GLU 204 Cb 1.01 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 28.02 1oup h GLU 204 CO 0.43 0.26 0.10 2.35 0.05 0.00 0.00 179.01 182.19 1oup h TRP 205 N 0.40 0.21 -0.39 2.06 -0.00 -1.98 -1.52 115.95 114.72 1oup h TRP 205 Ca 0.23 0.00 0.06 0.00 -0.00 0.00 0.00 58.89 59.19 1oup h TRP 205 Cb 0.21 -0.07 -0.05 0.00 -0.00 0.00 0.00 29.16 29.25 1oup h TRP 205 CO -0.14 0.17 0.07 1.49 -0.00 0.00 0.00 178.44 180.03 1oup h GLU 206 N 0.18 0.19 -0.75 2.65 4.81 -1.92 0.76 114.58 120.50 1oup h GLU 206 Ca 0.06 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1oup h GLU 206 Cb 0.02 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1oup h GLU 206 CO -0.01 0.12 0.43 0.00 -0.73 0.00 0.00 179.01 178.82 1oup h THR 208 N 1.03 1.28 0.13 0.00 2.02 -0.51 -1.97 112.91 114.88 1oup h THR 208 Ca 0.27 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.44 1oup h THR 208 Cb 0.01 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1oup h THR 208 CO -0.05 0.32 -0.26 -0.09 0.37 0.00 0.00 175.52 175.82 1oup h ARG 209 N 0.22 -0.45 -0.95 6.66 2.43 0.82 -1.13 114.38 121.98 1oup h ARG 209 Ca 0.07 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.45 1oup h ARG 209 Cb 0.49 0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 30.04 1oup h ARG 209 CO 0.02 -0.30 0.54 0.22 -1.51 0.00 0.00 179.97 178.94 1oup h ASP 210 N -0.47 0.66 -0.19 -3.80 1.82 -0.93 -1.06 116.42 112.45 1oup h ASP 210 Ca 0.03 0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 56.75 1oup h ASP 210 Cb 0.49 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.48 1oup h ASP 210 CO -0.14 0.23 0.06 0.44 -1.61 0.00 0.00 179.24 178.22 1oup h ASP 211 N 0.69 0.29 -0.22 2.28 3.32 -0.50 -1.85 116.42 120.43 1oup h ASP 211 Ca 0.54 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 1oup h ASP 211 Cb 0.84 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 1oup h ASP 211 CO -0.39 0.42 0.01 0.03 -1.72 0.00 0.00 179.24 177.59 1oup h ARG 212 N 0.13 0.48 -0.32 3.56 3.08 -0.16 -2.56 114.38 118.60 1oup h ARG 212 Ca 0.06 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1oup h ARG 212 Cb 0.24 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1oup h ARG 212 CO -0.00 0.50 -0.04 0.82 -1.07 0.00 0.00 179.97 180.18 1oup h ILE 213 N 0.47 1.27 -0.98 2.04 2.04 -1.04 -2.53 117.51 118.78 1oup h ILE 213 Ca 0.10 -1.05 0.08 0.00 1.00 0.00 0.00 64.86 64.99 1oup h ILE 213 Cb 0.29 1.31 -0.07 0.00 -0.74 0.00 0.00 36.82 37.60 1oup h ILE 213 CO 0.01 0.34 0.63 0.00 0.00 0.00 0.00 178.15 179.12 1oup h ALA 214 N 0.82 1.39 -0.42 1.87 0.00 -1.07 1.06 119.26 122.92 1oup h ALA 214 Ca 0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1oup h ALA 214 Cb 0.51 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1oup h ALA 214 CO 0.02 0.36 -0.05 0.87 0.00 0.00 0.00 179.25 180.46 1oup h LYS 215 N 1.10 0.77 0.12 0.00 6.56 -1.22 0.37 116.57 124.26 1oup h LYS 215 Ca 0.44 -0.27 -0.28 0.00 -1.06 0.00 0.00 60.65 59.49 1oup h LYS 215 Cb 0.25 -0.06 0.01 0.00 -0.57 0.00 0.00 32.23 31.87 1oup h LYS 215 CO -0.20 0.87 -1.21 0.82 -2.06 0.00 0.00 179.45 177.67 1oup h ILE 216 N 0.59 1.40 0.06 1.86 2.04 -0.94 -3.38 117.51 119.14 1oup h ILE 216 Ca 0.11 -2.75 -0.36 0.00 1.00 0.00 0.00 64.86 62.86 1oup h ILE 216 Cb 0.56 2.79 -0.04 0.00 -0.74 0.00 0.00 36.82 39.38 1oup h ILE 216 CO 0.03 0.82 -2.09 1.67 0.00 0.00 0.00 178.15 178.57 1oup n GLN 217 N -3.66 0.70 0.00 2.37 7.27 0.36 -3.53 117.38 120.89 1oup n GLN 217 Ca -0.10 0.21 0.00 0.00 0.07 0.00 0.00 57.00 57.18 1oup n GLN 217 Cb 0.98 -1.66 0.00 0.00 2.41 0.00 0.00 30.24 31.97 1oup n GLN 217 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1oup n GLY 218 N 1.94 0.67 3.27 1.69 0.00 0.13 -4.82 105.19 108.05 1oup n GLY 218 Ca -0.32 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.97 -0.23 0.29 1.61 4.22 -1.24 -5.00 114.94 112.63 1oup s ASN 219 Ca 0.00 0.11 0.03 0.00 -2.14 0.00 0.00 52.86 50.86 1oup s ASN 219 Cb 0.00 0.34 -0.03 0.00 1.28 0.00 0.00 41.25 42.84 1oup s ASN 219 CO 0.00 -0.48 0.45 -1.00 -2.04 0.00 0.00 177.10 174.02 1oup s HIS 220 N -1.47 3.47 -0.52 1.54 3.76 -1.26 -3.72 115.29 117.10 1oup s HIS 220 Ca -0.12 0.14 -0.24 0.00 -0.15 0.00 0.00 55.06 54.69 1oup s HIS 220 Cb -0.04 -1.72 0.04 0.00 1.11 0.00 0.00 32.58 31.96 1oup s HIS 220 CO 0.04 0.29 0.92 1.21 -0.85 0.00 0.00 174.74 176.35 1oup s ASN 221 N -4.01 6.39 0.25 1.40 3.04 -1.26 -4.92 114.94 115.84 1oup s ASN 221 Ca 0.37 -0.21 -0.06 0.00 0.04 0.00 0.00 52.86 53.00 1oup s ASN 221 Cb -0.09 -2.43 0.47 0.00 -1.54 0.00 0.00 41.25 37.66 1oup s ASN 221 CO 0.32 -1.15 1.63 -0.65 -3.04 0.00 0.00 177.10 174.21 1oup h PRO 222 N 9.21 0.10 0.00 0.43 0.11 -1.96 -0.07 132.00 139.82 1oup h PRO 222 Ca -0.25 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 1oup h PRO 222 Cb 1.08 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1oup h PRO 222 CO 1.06 0.06 -0.04 0.74 -0.21 0.00 0.00 178.00 179.62 1oup h PHE 223 N 0.10 0.00 0.00 0.65 -1.00 -1.91 -2.08 116.94 112.70 1oup h PHE 223 Ca 0.44 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 61.03 1oup h PHE 223 Cb 0.78 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.31 1oup h PHE 223 CO -0.43 0.04 -1.22 0.28 -1.61 0.00 0.00 178.31 175.37 1oup n VAL 224 N -3.34 1.50 -0.30 -0.55 0.31 -0.20 -3.91 118.33 111.85 1oup n VAL 224 Ca -0.02 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.49 1oup n VAL 224 Cb 0.17 -2.14 0.45 0.00 -0.91 0.00 0.00 33.84 31.41 1oup n VAL 224 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1oup h GLN 225 N -1.00 0.51 -0.33 5.55 4.15 -1.07 -1.00 115.11 121.92 1oup h GLN 225 Ca -0.28 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 58.98 1oup h GLN 225 Cb 1.11 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 1oup h GLN 225 CO -0.17 0.34 -0.29 1.96 -1.93 0.00 0.00 178.83 178.74 1oup h GLN 226 N 0.52 0.79 0.00 1.69 1.08 -1.58 -2.80 115.11 114.81 1oup h GLN 226 Ca 0.54 -0.40 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1oup h GLN 226 Cb 1.16 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 1oup h GLN 226 CO -0.27 1.03 0.00 0.77 -0.95 0.00 0.00 178.83 179.41 1oup h SER 227 N 0.56 0.00 -0.02 1.46 0.02 -1.37 -3.52 113.55 110.68 1oup h SER 227 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1oup h SER 227 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1oup h SER 227 CO 0.07 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.76