#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u2g s VAL 31 N 0.00 3.81 -0.94 0.44 1.01 -1.26 -4.71 120.40 118.75 1u2g s VAL 31 Ca 0.00 -0.41 -0.23 0.00 0.00 0.00 0.00 61.98 61.34 1u2g s VAL 31 Cb 0.00 -2.63 0.06 0.00 0.00 0.00 0.00 36.38 33.81 1u2g s VAL 31 CO 0.00 0.54 1.36 -0.75 0.00 0.00 0.00 175.10 176.24 1u2g s LYS 32 N -0.08 3.50 0.85 2.72 2.20 -1.26 -5.00 119.74 122.66 1u2g s LYS 32 Ca 0.01 -1.02 -0.12 0.00 -0.36 0.00 0.00 55.97 54.49 1u2g s LYS 32 Cb -0.13 -5.04 0.10 0.00 -1.51 0.00 0.00 37.83 31.25 1u2g s LYS 32 CO 0.03 -2.13 1.10 0.00 -0.36 0.00 0.00 175.35 173.99 1u2g s ALA 33 N 4.80 1.96 0.24 3.13 0.00 -1.26 -2.19 121.76 128.45 1u2g s ALA 33 Ca 0.41 -0.23 -0.20 0.00 0.00 0.00 0.00 51.96 51.94 1u2g s ALA 33 Cb -0.03 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 20.01 1u2g s ALA 33 CO -0.04 -2.00 0.65 0.20 0.00 0.00 0.00 175.76 174.57 1u2g s GLY 34 N -3.80 -0.14 0.43 0.00 0.00 0.92 -4.71 107.32 100.03 1u2g s GLY 34 Ca 0.62 -0.19 0.03 0.00 0.00 0.00 0.00 44.72 45.18 1u2g s GLY 34 CO 0.55 -0.11 0.08 -1.35 0.00 0.00 0.00 173.10 172.27 1u2g s SER 35 N -2.89 3.19 0.27 1.64 1.04 -1.26 -4.22 113.70 111.48 1u2g s SER 35 Ca 0.10 -1.61 -0.03 0.00 0.48 0.00 0.00 55.95 54.88 1u2g s SER 35 Cb -0.04 0.38 0.37 0.00 0.10 0.00 0.00 66.02 66.83 1u2g s SER 35 CO 0.02 -0.84 1.92 0.00 0.98 0.00 0.00 173.24 175.32 1u2g h ALA 36 N 1.70 1.37 -0.11 5.32 0.00 -1.94 -1.85 119.26 123.75 1u2g h ALA 36 Ca -0.39 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1u2g h ALA 36 Cb 1.28 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1u2g h ALA 36 CO 0.65 0.55 -0.04 0.93 0.00 0.00 0.00 179.25 181.34 1u2g h GLU 37 N 1.23 0.23 -0.53 0.00 3.07 -1.96 -2.36 114.58 114.26 1u2g h GLU 37 Ca 0.38 -0.09 0.06 0.00 -0.50 0.00 0.00 59.36 59.21 1u2g h GLU 37 Cb -0.02 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 27.82 1u2g h GLU 37 CO -0.11 0.55 0.24 -0.44 -1.40 0.00 0.00 179.01 177.85 1u2g h ASP 38 N -0.11 0.30 0.40 1.42 3.32 -1.92 -2.48 116.42 117.35 1u2g h ASP 38 Ca 0.03 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1u2g h ASP 38 Cb 0.48 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1u2g h ASP 38 CO 0.01 0.20 -0.37 0.00 -1.72 0.00 0.00 179.24 177.37 1u2g h ALA 39 N 1.32 1.35 -0.02 3.45 0.00 -1.31 -3.14 119.26 120.91 1u2g h ALA 39 Ca 0.25 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1u2g h ALA 39 Cb 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1u2g h ALA 39 CO -0.21 0.46 -0.77 0.00 0.00 0.00 0.00 179.25 178.73 1u2g h ALA 40 N 1.63 0.68 -0.24 0.00 0.00 -0.95 -3.03 119.26 117.34 1u2g h ALA 40 Ca -0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 1u2g h ALA 40 Cb 0.67 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1u2g h ALA 40 CO 0.05 0.86 0.07 0.74 0.00 0.00 0.00 179.25 180.96 1u2g h PHE 41 N 0.10 0.41 -0.82 0.00 -1.00 -1.48 -2.85 116.94 111.30 1u2g h PHE 41 Ca -0.02 -0.05 0.03 0.00 2.81 0.00 0.00 57.97 60.74 1u2g h PHE 41 Cb 1.34 -0.12 -0.05 0.00 3.61 0.00 0.00 35.95 40.74 1u2g h PHE 41 CO 0.02 0.47 0.53 0.82 -1.61 0.00 0.00 178.31 178.54 1u2g h ILE 42 N 0.22 1.13 0.13 -0.55 2.04 -1.52 -2.36 117.51 116.62 1u2g h ILE 42 Ca 0.08 -0.35 -0.30 0.00 1.00 0.00 0.00 64.86 65.28 1u2g h ILE 42 Cb 0.26 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1u2g h ILE 42 CO -0.00 0.19 -1.47 0.24 0.00 0.00 0.00 178.15 177.11 1u2g h MET 43 N 1.03 0.28 -0.19 2.37 2.86 -1.60 -3.31 114.93 116.36 1u2g h MET 43 Ca 0.33 -0.48 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 1u2g h MET 43 Cb -0.00 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1u2g h MET 43 CO -0.11 1.17 -0.08 0.87 1.06 0.00 0.00 176.91 179.82 1u2g h LYS 44 N 0.08 0.30 -1.91 1.72 1.57 -1.40 -2.70 116.57 114.22 1u2g h LYS 44 Ca -0.22 -0.06 -0.64 0.00 -1.87 0.00 0.00 60.65 57.85 1u2g h LYS 44 Cb 2.02 -0.04 -0.23 0.00 0.08 0.00 0.00 32.23 34.05 1u2g h LYS 44 CO 0.18 0.39 0.78 0.09 -0.57 0.00 0.00 179.45 180.32 1u2g n ASN 45 N -4.30 7.11 -4.14 0.86 3.02 -0.90 -4.92 115.26 111.99 1u2g n ASN 45 Ca -0.00 -3.57 -0.25 0.00 -0.03 0.00 0.00 54.58 50.73 1u2g n ASN 45 Cb 0.24 -1.12 -0.16 0.00 -0.61 0.00 0.00 39.78 38.13 1u2g n ASN 45 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u2g s ALA 46 N -3.08 1.48 0.04 5.41 0.00 -1.02 -4.98 121.76 119.61 1u2g s ALA 46 Ca 0.55 -0.70 0.15 0.00 0.00 0.00 0.00 51.96 51.95 1u2g s ALA 46 Cb 0.42 -0.45 0.28 0.00 0.00 0.00 0.00 23.12 23.37 1u2g s ALA 46 CO -0.30 0.30 1.54 0.77 0.00 0.00 0.00 175.76 178.07 1u2g h SER 47 N 6.05 0.00 -3.44 0.00 0.02 -1.91 -3.44 113.55 110.82 1u2g h SER 47 Ca -0.34 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.49 1u2g h SER 47 Cb 1.16 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.45 1u2g h SER 47 CO 0.48 0.54 -0.29 -0.75 -1.14 0.00 0.00 176.83 175.68 1u2g s LYS 48 N -3.21 0.41 -0.07 3.45 2.20 -1.26 -2.40 119.74 118.86 1u2g s LYS 48 Ca 0.02 0.71 0.00 0.00 -0.36 0.00 0.00 55.97 56.33 1u2g s LYS 48 Cb 0.10 0.06 0.02 0.00 -1.51 0.00 0.00 37.83 36.49 1u2g s LYS 48 CO 0.74 -0.12 -0.05 0.08 -0.36 0.00 0.00 175.35 175.63 1u2g s VAL 49 N 1.01 0.71 -0.30 4.02 1.01 -0.53 -2.24 120.40 124.08 1u2g s VAL 49 Ca -0.06 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 1u2g s VAL 49 Cb -0.07 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1u2g s VAL 49 CO -0.08 0.29 0.09 -0.63 0.00 0.00 0.00 175.10 174.77 1u2g s ILE 50 N 1.35 4.10 -0.08 2.22 1.01 -0.83 -2.69 121.20 126.28 1u2g s ILE 50 Ca -0.03 -0.62 -0.26 0.00 0.00 0.00 0.00 60.65 59.73 1u2g s ILE 50 Cb -0.14 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 1u2g s ILE 50 CO -0.03 0.09 0.83 -0.63 0.00 0.00 0.00 174.94 175.20 1u2g s ILE 51 N 1.53 4.94 -0.56 2.92 1.01 0.22 -0.60 121.20 130.65 1u2g s ILE 51 Ca 0.03 1.71 0.02 0.00 0.00 0.00 0.00 60.65 62.41 1u2g s ILE 51 Cb -0.17 -4.16 0.14 0.00 0.01 0.00 0.00 42.46 38.28 1u2g s ILE 51 CO 0.03 0.15 0.32 -0.69 0.00 0.00 0.00 174.94 174.76 1u2g s VAL 52 N 1.29 2.92 0.39 2.92 1.01 0.66 -0.58 120.40 129.01 1u2g s VAL 52 Ca 0.43 -3.28 -0.24 0.00 0.00 0.00 0.00 61.98 58.89 1u2g s VAL 52 Cb -0.18 -2.98 -0.10 0.00 0.00 0.00 0.00 36.38 33.12 1u2g s VAL 52 CO 0.19 -0.83 1.00 -2.16 0.00 0.00 0.00 175.10 173.31 1u2g s PRO 53 N -0.30 4.24 0.19 2.72 0.04 -1.26 -0.89 135.00 139.74 1u2g s PRO 53 Ca 0.17 1.38 0.02 0.00 0.04 0.00 0.00 61.00 62.61 1u2g s PRO 53 Cb -0.24 -2.49 -0.01 0.00 0.04 0.00 0.00 34.50 31.81 1u2g s PRO 53 CO -0.02 -0.05 0.21 0.41 0.04 0.00 0.00 177.00 177.60 1u2g n GLY 54 N 0.15 2.98 0.29 0.56 0.00 -0.46 -4.72 105.19 103.99 1u2g n GLY 54 Ca 0.05 -1.64 0.08 0.00 0.00 0.00 0.00 46.02 44.50 1u2g n GLY 54 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1u2g h TYR 55 N 1.57 0.07 -0.46 1.61 3.20 -1.77 0.11 116.97 121.31 1u2g h TYR 55 Ca -0.14 0.05 0.11 0.00 3.14 0.00 0.00 58.73 61.89 1u2g h TYR 55 Cb 0.66 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 1u2g h TYR 55 CO 0.00 -0.23 0.32 0.78 -1.64 0.00 0.00 178.16 177.39 1u2g h GLY 56 N 0.14 0.19 1.09 1.82 0.00 -1.44 0.11 103.07 104.98 1u2g h GLY 56 Ca 0.46 -0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.65 1u2g h GLY 56 CO -0.67 0.03 0.09 1.98 0.00 0.00 0.00 176.54 177.97 1u2g h MET 57 N 0.14 1.11 -0.22 4.80 1.85 -0.91 -1.58 114.93 120.12 1u2g h MET 57 Ca 0.22 -0.30 -0.10 0.00 -0.61 0.00 0.00 59.70 58.90 1u2g h MET 57 Cb 0.68 -0.13 -0.00 0.00 0.43 0.00 0.00 31.60 32.58 1u2g h MET 57 CO -0.03 1.02 -0.26 0.00 -0.40 0.00 0.00 176.91 177.24 1u2g h ALA 58 N 1.06 0.32 -0.71 0.39 0.00 -0.88 -0.73 119.26 118.71 1u2g h ALA 58 Ca 0.20 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1u2g h ALA 58 Cb 0.46 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1u2g h ALA 58 CO 0.02 0.31 0.42 0.28 0.00 0.00 0.00 179.25 180.28 1u2g h VAL 59 N 0.24 1.01 0.00 0.00 2.07 -0.80 -1.74 116.25 117.03 1u2g h VAL 59 Ca 0.03 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1u2g h VAL 59 Cb 0.83 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1u2g h VAL 59 CO 0.06 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.80 1u2g h ALA 60 N 1.35 1.00 -5.93 1.67 0.00 -1.29 -3.48 119.26 112.58 1u2g h ALA 60 Ca 0.31 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.85 1u2g h ALA 60 Cb 0.15 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.05 1u2g h ALA 60 CO -0.16 0.00 -0.87 1.04 0.00 0.00 0.00 179.25 179.26 1u2g n GLN 61 N -2.32 -3.15 -0.54 0.00 1.13 -0.37 -4.56 117.38 107.57 1u2g n GLN 61 Ca 0.05 0.65 0.09 0.00 -1.94 0.00 0.00 57.00 55.86 1u2g n GLN 61 Cb 0.44 -5.08 0.33 0.00 0.11 0.00 0.00 30.24 26.03 1u2g n GLN 61 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u2g n ALA 62 N -3.95 2.92 0.11 -1.58 0.00 -0.63 -4.58 120.51 112.79 1u2g n ALA 62 Ca -0.17 -1.58 -0.03 0.00 0.00 0.00 0.00 53.44 51.65 1u2g n ALA 62 Cb 0.64 -0.92 0.05 0.00 0.00 0.00 0.00 19.45 19.22 1u2g n ALA 62 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1u2g h GLN 63 N 3.73 0.00 -0.06 0.00 7.50 -1.90 0.48 115.11 124.87 1u2g h GLN 63 Ca 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.13 1u2g h GLN 63 Cb 1.34 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.87 1u2g h GLN 63 CO 0.19 0.77 -0.03 0.45 -1.50 0.00 0.00 178.83 178.71 1u2g h HIS 64 N 0.00 0.13 0.00 2.96 3.86 -1.89 -0.95 115.15 119.27 1u2g h HIS 64 Ca -0.01 -0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.12 1u2g h HIS 64 Cb 1.37 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.80 1u2g h HIS 64 CO 0.00 0.49 -0.24 0.00 0.86 0.00 0.00 177.93 179.05 1u2g h ALA 65 N 0.62 1.10 0.01 2.45 0.00 -1.87 -1.04 119.26 120.53 1u2g h ALA 65 Ca 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1u2g h ALA 65 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1u2g h ALA 65 CO 0.01 0.30 -0.00 1.25 0.00 0.00 0.00 179.25 180.80 1u2g h LEU 66 N 0.00 -0.01 -1.67 0.00 5.85 -0.78 -1.94 115.31 116.76 1u2g h LEU 66 Ca -0.00 -0.53 -0.04 0.00 0.84 0.00 0.00 57.88 58.15 1u2g h LEU 66 Cb 0.66 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1u2g h LEU 66 CO 0.03 0.53 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.39 1u2g h ARG 67 N -0.55 0.00 -0.10 1.25 1.12 -1.10 -1.68 114.38 113.32 1u2g h ARG 67 Ca -0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1u2g h ARG 67 Cb 0.54 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.49 1u2g h ARG 67 CO 0.00 0.18 0.04 1.49 -3.11 0.00 0.00 179.97 178.57 1u2g h GLU 68 N 0.00 0.14 -0.52 0.20 4.81 -1.13 -1.51 114.58 116.58 1u2g h GLU 68 Ca -0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1u2g h GLU 68 Cb 0.45 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1u2g h GLU 68 CO 0.02 0.24 0.31 1.98 -0.73 0.00 0.00 179.01 180.83 1u2g h MET 69 N 0.02 0.69 -0.28 1.92 4.05 -0.58 -2.32 114.93 118.43 1u2g h MET 69 Ca 0.03 -0.06 -0.13 0.00 -0.28 0.00 0.00 59.70 59.27 1u2g h MET 69 Cb 0.15 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 1u2g h MET 69 CO -0.00 0.49 -0.34 0.00 0.23 0.00 0.00 176.91 177.28 1u2g h ALA 70 N 1.63 0.87 -0.65 0.39 0.00 -1.13 -1.67 119.26 118.70 1u2g h ALA 70 Ca 0.19 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1u2g h ALA 70 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1u2g h ALA 70 CO -0.04 0.63 0.17 -0.44 0.00 0.00 0.00 179.25 179.58 1u2g h ASP 71 N 0.52 0.95 -0.10 0.00 3.45 -0.74 0.14 116.42 120.64 1u2g h ASP 71 Ca 0.06 -0.18 -0.21 0.00 0.43 0.00 0.00 57.03 57.13 1u2g h ASP 71 Cb 0.84 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.37 1u2g h ASP 71 CO 0.07 0.91 -0.71 0.58 -1.57 0.00 0.00 179.24 178.53 1u2g h VAL 72 N 0.97 1.29 -0.09 -1.35 2.07 -1.39 -1.56 116.25 116.20 1u2g h VAL 72 Ca 0.21 -1.93 -0.01 0.00 0.82 0.00 0.00 66.70 65.79 1u2g h VAL 72 Cb 0.32 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1u2g h VAL 72 CO -0.00 0.61 0.03 -0.07 0.02 0.00 0.00 177.57 178.16 1u2g h LEU 73 N 0.52 0.14 -1.62 2.57 4.07 -1.14 -3.04 115.31 116.82 1u2g h LEU 73 Ca -0.03 -0.21 -0.04 0.00 0.08 0.00 0.00 57.88 57.68 1u2g h LEU 73 Cb 1.32 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 43.01 1u2g h LEU 73 CO 0.14 0.31 -0.20 0.11 -1.08 0.00 0.00 178.44 177.72 1u2g h LYS 74 N -0.04 0.00 -0.02 1.13 1.57 -0.73 -2.51 116.57 115.97 1u2g h LYS 74 Ca 0.03 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1u2g h LYS 74 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1u2g h LYS 74 CO -0.00 0.20 -0.39 -0.22 -0.57 0.00 0.00 179.45 178.47 1u2g h LYS 75 N 0.00 0.04 0.00 3.15 3.64 -1.20 -2.53 116.57 119.67 1u2g h LYS 75 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1u2g h LYS 75 Cb 0.36 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1u2g h LYS 75 CO 0.03 0.42 0.00 0.39 -2.27 0.00 0.00 179.45 178.02 1u2g n GLU 76 N -4.07 0.15 0.00 1.90 -0.58 -0.97 -4.89 120.64 112.18 1u2g n GLU 76 Ca -0.02 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 1u2g n GLU 76 Cb 0.43 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 1u2g n GLU 76 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1u2g n GLY 77 N 0.79 0.90 3.81 0.62 0.00 -0.95 -5.10 105.19 105.26 1u2g n GLY 77 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1u2g n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u2g s VAL 78 N -2.00 4.20 -0.19 1.61 1.01 -1.06 -5.02 120.40 118.96 1u2g s VAL 78 Ca 0.00 1.46 -0.19 0.00 0.00 0.00 0.00 61.98 63.25 1u2g s VAL 78 Cb 0.00 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1u2g s VAL 78 CO 0.00 -0.21 0.56 -1.61 0.00 0.00 0.00 175.10 173.84 1u2g s GLU 79 N -2.96 4.22 -0.07 2.72 2.02 -1.01 -4.17 118.70 119.45 1u2g s GLU 79 Ca 0.61 0.51 0.05 0.00 0.02 0.00 0.00 54.97 56.16 1u2g s GLU 79 Cb -0.13 -3.55 -0.01 0.00 0.10 0.00 0.00 34.13 30.54 1u2g s GLU 79 CO 0.17 -0.15 -0.24 0.08 0.02 0.00 0.00 175.26 175.15 1u2g s VAL 80 N 1.61 2.18 0.16 2.63 1.01 -1.26 -1.46 120.40 125.27 1u2g s VAL 80 Ca 0.26 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 1u2g s VAL 80 Cb -0.16 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1u2g s VAL 80 CO 0.10 0.57 0.13 -0.94 0.00 0.00 0.00 175.10 174.96 1u2g s SER 81 N -0.09 0.21 -0.08 3.32 1.04 -1.09 -4.91 113.70 112.08 1u2g s SER 81 Ca -0.05 -1.20 0.04 0.00 0.48 0.00 0.00 55.95 55.22 1u2g s SER 81 Cb -0.14 0.35 -0.00 0.00 0.10 0.00 0.00 66.02 66.33 1u2g s SER 81 CO 0.04 -0.80 -0.22 -0.31 0.98 0.00 0.00 173.24 172.93 1u2g s TYR 82 N -4.07 2.35 -0.39 5.02 1.51 -0.21 -0.61 117.35 120.95 1u2g s TYR 82 Ca 0.27 -0.89 -0.11 0.00 -1.01 0.00 0.00 57.07 55.34 1u2g s TYR 82 Cb 0.06 -1.57 0.04 0.00 -0.11 0.00 0.00 41.96 40.38 1u2g s TYR 82 CO 0.05 -0.35 0.22 0.00 -1.11 0.00 0.00 175.55 174.36 1u2g s ALA 83 N 0.27 3.28 -0.37 3.71 0.00 0.26 -1.28 121.76 127.62 1u2g s ALA 83 Ca -0.15 -1.83 -0.12 0.00 0.00 0.00 0.00 51.96 49.86 1u2g s ALA 83 Cb -0.17 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.36 1u2g s ALA 83 CO 0.07 -1.46 0.24 0.42 0.00 0.00 0.00 175.76 175.03 1u2g s ILE 84 N 1.52 4.93 0.30 0.00 -1.09 -0.14 -4.22 121.20 122.49 1u2g s ILE 84 Ca 0.02 -0.63 -0.29 0.00 -2.23 0.00 0.00 60.65 57.51 1u2g s ILE 84 Cb -0.20 -3.68 -0.10 0.00 -1.58 0.00 0.00 42.46 36.90 1u2g s ILE 84 CO 0.06 -0.19 1.16 -2.28 -1.23 0.00 0.00 174.94 172.45 1u2g s HIS 85 N 1.63 3.43 0.62 3.97 2.46 -1.26 -2.50 115.29 123.64 1u2g s HIS 85 Ca 0.04 1.62 0.31 0.00 0.47 0.00 0.00 55.06 57.50 1u2g s HIS 85 Cb -0.19 -3.39 1.71 0.00 -0.13 0.00 0.00 32.58 30.58 1u2g s HIS 85 CO 0.08 -0.91 2.05 -1.00 -2.47 0.00 0.00 174.74 172.49 1u2g h PRO 86 N 3.67 0.00 -0.24 2.88 0.13 -1.97 -2.28 132.00 134.19 1u2g h PRO 86 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 1u2g h PRO 86 Cb 1.22 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.16 1u2g h PRO 86 CO 0.66 0.00 -0.68 1.33 -0.23 0.00 0.00 178.00 179.09 1u2g n VAL 87 N -3.47 2.04 -2.22 1.56 0.24 -1.26 -4.74 118.33 110.47 1u2g n VAL 87 Ca 0.01 -3.29 -0.38 0.00 -2.04 0.00 0.00 64.34 58.64 1u2g n VAL 87 Cb 0.37 -0.30 -0.01 0.00 -1.47 0.00 0.00 33.84 32.43 1u2g n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u2g s ALA 88 N -3.05 3.15 0.00 2.33 0.00 -0.86 -4.75 121.76 118.58 1u2g s ALA 88 Ca 0.41 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1u2g s ALA 88 Cb 0.38 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 20.09 1u2g s ALA 88 CO -0.05 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.50 1u2g n GLY 89 N 0.63 -0.21 0.00 0.00 0.00 -1.26 -4.45 105.19 99.90 1u2g n GLY 89 Ca 0.05 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1u2g n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u2g n ARG 90 N 2.33 0.79 -3.82 1.61 5.12 -1.26 -4.73 116.66 116.70 1u2g n ARG 90 Ca 0.00 -0.78 -0.10 0.00 -1.93 0.00 0.00 57.85 55.04 1u2g n ARG 90 Cb 0.00 -0.82 -0.07 0.00 -1.16 0.00 0.00 32.46 30.40 1u2g n ARG 90 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1u2g s MET 91 N -0.36 0.81 0.25 5.56 0.23 -1.26 -5.09 119.30 119.44 1u2g s MET 91 Ca 0.00 -0.76 -0.31 0.00 -1.03 0.00 0.00 55.69 53.59 1u2g s MET 91 Cb 0.00 0.34 -0.12 0.00 -1.53 0.00 0.00 34.83 33.52 1u2g s MET 91 CO 0.00 -0.26 1.65 -2.30 -2.03 0.00 0.00 175.02 172.08 1u2g n PRO 92 N 0.28 2.71 -1.55 3.16 -0.02 -1.26 -2.17 135.00 136.15 1u2g n PRO 92 Ca -0.17 0.97 -0.11 0.00 -2.02 0.00 0.00 63.50 62.17 1u2g n PRO 92 Cb 0.61 -2.78 -0.04 0.00 -0.02 0.00 0.00 33.50 31.27 1u2g n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u2g n GLY 93 N 2.96 0.89 0.11 -1.23 0.00 -1.26 -4.93 105.19 101.73 1u2g n GLY 93 Ca 0.12 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 1u2g n GLY 93 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1u2g h HIS 94 N 0.00 0.26 -0.20 1.61 2.76 -1.66 -2.51 115.15 115.41 1u2g h HIS 94 Ca -0.24 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 57.80 1u2g h HIS 94 Cb 0.84 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.71 1u2g h HIS 94 CO 0.31 0.33 -0.36 0.52 -1.30 0.00 0.00 177.93 177.42 1u2g h MET 95 N 0.13 0.44 -0.16 5.26 2.86 -1.85 -3.27 114.93 118.35 1u2g h MET 95 Ca 0.06 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1u2g h MET 95 Cb 0.17 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1u2g h MET 95 CO -0.00 0.75 0.08 -0.91 1.06 0.00 0.00 176.91 177.88 1u2g h ASN 96 N 0.38 0.20 -0.37 1.22 4.21 -1.89 -1.08 115.58 118.25 1u2g h ASN 96 Ca 0.04 -0.10 -0.06 0.00 1.21 0.00 0.00 56.30 57.38 1u2g h ASN 96 Cb 0.81 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.94 1u2g h ASN 96 CO 0.07 0.25 0.02 1.62 -1.29 0.00 0.00 177.43 178.09 1u2g h VAL 97 N 0.14 1.23 0.01 2.81 3.04 -1.53 0.19 116.25 122.13 1u2g h VAL 97 Ca 0.05 -0.93 -0.27 0.00 -1.01 0.00 0.00 66.70 64.55 1u2g h VAL 97 Cb 0.10 0.86 0.02 0.00 -2.01 0.00 0.00 31.29 30.26 1u2g h VAL 97 CO -0.01 0.33 -1.05 -0.07 -1.01 0.00 0.00 177.57 175.76 1u2g h LEU 98 N 0.70 0.90 -0.76 3.16 3.38 -1.58 -1.28 115.31 119.82 1u2g h LEU 98 Ca 0.14 -0.73 -0.04 0.00 0.09 0.00 0.00 57.88 57.34 1u2g h LEU 98 Cb 0.40 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1u2g h LEU 98 CO 0.01 1.53 0.30 -0.07 0.09 0.00 0.00 178.44 180.31 1u2g h LEU 99 N 0.39 1.05 -1.08 1.67 3.38 -1.10 -1.67 115.31 117.94 1u2g h LEU 99 Ca -0.13 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 1u2g h LEU 99 Cb 1.71 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 1u2g h LEU 99 CO 0.21 0.94 -0.06 0.00 0.09 0.00 0.00 178.44 179.61 1u2g h ALA 100 N 1.16 1.24 -0.61 1.53 0.00 -0.91 -1.45 119.26 120.22 1u2g h ALA 100 Ca 0.25 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1u2g h ALA 100 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1u2g h ALA 100 CO -0.02 0.50 0.03 1.49 0.00 0.00 0.00 179.25 181.25 1u2g h GLU 101 N 0.54 1.05 0.00 0.00 4.81 -0.97 -2.27 114.58 117.75 1u2g h GLU 101 Ca 0.11 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1u2g h GLU 101 Cb 0.44 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1u2g h GLU 101 CO 0.02 1.01 0.00 0.00 -0.73 0.00 0.00 179.01 179.31 1u2g n ALA 102 N -2.48 2.65 -2.29 2.92 0.00 -0.65 -4.92 120.51 115.74 1u2g n ALA 102 Ca 0.03 -0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 1u2g n ALA 102 Cb 0.33 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1u2g n ALA 102 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1u2g n ASN 103 N -0.95 -3.37 -4.70 0.00 5.15 -0.66 -4.87 115.26 105.84 1u2g n ASN 103 Ca 0.21 -0.04 -0.42 0.00 -0.60 0.00 0.00 54.58 53.73 1u2g n ASN 103 Cb 0.10 -2.55 -0.03 0.00 -0.53 0.00 0.00 39.78 36.77 1u2g n ASN 103 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1u2g s VAL 104 N -2.57 4.71 0.45 3.44 -7.23 -0.64 -5.00 120.40 113.56 1u2g s VAL 104 Ca 0.04 1.95 -0.23 0.00 -1.81 0.00 0.00 61.98 61.92 1u2g s VAL 104 Cb -0.02 -4.25 -0.07 0.00 0.56 0.00 0.00 36.38 32.60 1u2g s VAL 104 CO 0.04 0.12 1.20 -2.16 -0.31 0.00 0.00 175.10 173.99 1u2g s PRO 105 N 1.27 3.77 0.32 4.82 0.04 -1.26 -4.62 135.00 139.34 1u2g s PRO 105 Ca 0.52 1.86 0.02 0.00 0.04 0.00 0.00 61.00 63.45 1u2g s PRO 105 Cb -0.22 -2.47 0.60 0.00 0.04 0.00 0.00 34.50 32.45 1u2g s PRO 105 CO 0.26 -0.56 1.93 1.88 0.04 0.00 0.00 177.00 180.55 1u2g h TYR 106 N 2.15 0.95 0.00 0.56 0.05 -1.94 -2.35 116.97 116.39 1u2g h TYR 106 Ca -0.49 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.31 1u2g h TYR 106 Cb 1.25 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.68 1u2g h TYR 106 CO 0.53 0.50 0.10 0.38 -1.05 0.00 0.00 178.16 178.62 1u2g h ASP 107 N 0.94 0.00 0.36 3.88 3.04 -2.04 -0.16 116.42 122.44 1u2g h ASP 107 Ca 0.36 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.15 1u2g h ASP 107 Cb 0.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.49 1u2g h ASP 107 CO -0.13 0.00 -0.81 -0.62 -2.04 0.00 0.00 179.24 175.64 1u2g n GLU 108 N -2.70 0.11 -3.70 4.15 1.02 -0.88 -4.92 120.64 113.71 1u2g n GLU 108 Ca -0.02 -0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.77 1u2g n GLU 108 Cb 0.15 -1.54 -0.08 0.00 -0.02 0.00 0.00 31.44 29.95 1u2g n GLU 108 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1u2g s VAL 109 N -3.07 5.40 0.04 2.62 1.01 -0.07 -1.05 120.40 125.27 1u2g s VAL 109 Ca 0.08 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.35 1u2g s VAL 109 Cb 0.16 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 1u2g s VAL 109 CO 0.78 0.44 -0.13 -0.36 0.00 0.00 0.00 175.10 175.83 1u2g s PHE 110 N 0.30 1.13 0.55 5.22 0.08 -0.40 -4.96 117.98 119.91 1u2g s PHE 110 Ca 0.10 -0.36 -0.08 0.00 0.12 0.00 0.00 56.93 56.71 1u2g s PHE 110 Cb -0.11 -0.67 -0.04 0.00 -0.57 0.00 0.00 43.02 41.63 1u2g s PHE 110 CO -0.01 0.02 0.91 -1.83 -0.10 0.00 0.00 175.22 174.22 1u2g s GLU 111 N -1.17 3.54 0.23 0.44 -1.05 -1.26 -0.97 118.70 118.46 1u2g s GLU 111 Ca 0.00 0.46 -0.10 0.00 -0.15 0.00 0.00 54.97 55.19 1u2g s GLU 111 Cb -0.08 -2.23 0.35 0.00 -0.44 0.00 0.00 34.13 31.74 1u2g s GLU 111 CO 0.01 -0.40 1.64 1.25 0.95 0.00 0.00 175.26 178.70 1u2g h LEU 112 N -0.06 -0.42 -1.34 1.83 6.46 -1.87 -2.35 115.31 117.57 1u2g h LEU 112 Ca -0.45 0.19 -0.03 0.00 -0.12 0.00 0.00 57.88 57.46 1u2g h LEU 112 Cb 1.20 0.35 -0.00 0.00 -0.73 0.00 0.00 40.66 41.48 1u2g h LEU 112 CO 0.62 -0.18 -0.15 -0.33 -0.62 0.00 0.00 178.44 177.78 1u2g h GLU 113 N 0.07 0.00 -0.01 1.25 5.08 -1.93 -1.92 114.58 117.12 1u2g h GLU 113 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1u2g h GLU 113 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1u2g h GLU 113 CO -0.65 0.15 -0.67 -0.85 -1.00 0.00 0.00 179.01 175.99 1u2g n GLU 114 N -3.34 0.68 -0.00 2.33 0.28 -0.90 -4.52 120.64 115.17 1u2g n GLU 114 Ca -0.00 -0.55 0.01 0.00 -0.16 0.00 0.00 57.16 56.45 1u2g n GLU 114 Cb 0.37 -1.49 -0.01 0.00 1.43 0.00 0.00 31.44 31.74 1u2g n GLU 114 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 1u2g n ILE 115 N -0.68 0.00 -0.04 3.84 3.06 -1.10 -4.78 119.36 119.66 1u2g n ILE 115 Ca 0.07 -0.29 0.07 0.00 -2.50 0.00 0.00 62.75 60.10 1u2g n ILE 115 Cb 0.40 0.78 0.44 0.00 0.54 0.00 0.00 39.64 41.81 1u2g n ILE 115 CO 0.00 0.00 0.00 0.78 -2.50 0.00 0.00 176.55 174.83 1u2g h ASN 116 N 0.00 0.45 1.27 9.51 2.35 -1.58 -1.64 115.58 125.94 1u2g h ASN 116 Ca 0.00 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1u2g h ASN 116 Cb 0.06 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1u2g h ASN 116 CO 0.00 0.31 -0.06 0.77 -1.65 0.00 0.00 177.43 176.79 1u2g h SER 117 N 0.52 0.00 1.26 5.81 4.64 -1.87 -3.21 113.55 120.71 1u2g h SER 117 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1u2g h SER 117 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1u2g h SER 117 CO -0.05 0.06 0.00 0.28 -0.87 0.00 0.00 176.83 176.25 1u2g h SER 118 N 0.00 0.00 0.14 4.97 0.02 -1.62 -3.21 113.55 113.84 1u2g h SER 118 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1u2g h SER 118 Cb 0.72 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.26 1u2g h SER 118 CO 0.01 0.00 -0.06 -0.26 -1.14 0.00 0.00 176.83 175.38 1u2g h PHE 119 N 0.00 0.00 -0.85 3.45 -1.00 -1.65 -1.07 116.94 115.82 1u2g h PHE 119 Ca 0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1u2g h PHE 119 Cb 0.63 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.15 1u2g h PHE 119 CO 0.00 0.06 0.52 1.96 -1.61 0.00 0.00 178.31 179.24 1u2g h GLN 120 N 0.00 1.15 -0.01 1.51 4.20 -1.73 -2.66 115.11 117.57 1u2g h GLN 120 Ca -0.00 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1u2g h GLN 120 Cb 0.15 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1u2g h GLN 120 CO 0.01 0.81 -0.01 0.25 -0.67 0.00 0.00 178.83 179.22 1u2g n THR 121 N -4.43 0.00 -3.24 -0.54 -2.24 -0.44 -4.82 114.28 98.57 1u2g n THR 121 Ca 0.09 -0.15 -0.38 0.00 -2.27 0.00 0.00 64.05 61.34 1u2g n THR 121 Cb 0.06 0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.33 1u2g n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u2g s ALA 122 N -2.03 3.44 0.12 6.98 0.00 -1.00 -4.78 121.76 124.49 1u2g s ALA 122 Ca 0.41 -0.09 -0.11 0.00 0.00 0.00 0.00 51.96 52.17 1u2g s ALA 122 Cb 0.21 -2.73 -0.10 0.00 0.00 0.00 0.00 23.12 20.50 1u2g s ALA 122 CO 0.36 -0.02 1.37 -0.44 0.00 0.00 0.00 175.76 177.03 1u2g h ASP 123 N 6.69 0.93 -4.00 0.00 5.19 -1.76 -2.28 116.42 121.19 1u2g h ASP 123 Ca -0.41 -0.55 -0.27 0.00 -0.62 0.00 0.00 57.03 55.18 1u2g h ASP 123 Cb 1.18 -0.27 -0.27 0.00 0.18 0.00 0.00 39.33 40.15 1u2g h ASP 123 CO 0.75 1.35 -0.73 0.68 -3.12 0.00 0.00 179.24 178.17 1u2g s VAL 124 N -3.95 0.23 -0.35 -1.35 -7.23 -1.19 -1.45 120.40 105.11 1u2g s VAL 124 Ca -0.10 -0.27 -0.09 0.00 -1.81 0.00 0.00 61.98 59.71 1u2g s VAL 124 Cb 0.10 -0.23 0.03 0.00 0.56 0.00 0.00 36.38 36.84 1u2g s VAL 124 CO 0.89 -0.03 0.16 0.00 -0.31 0.00 0.00 175.10 175.82 1u2g s ALA 125 N -0.30 3.20 -0.93 1.32 0.00 -0.30 -1.97 121.76 122.77 1u2g s ALA 125 Ca -0.01 -1.68 -0.18 0.00 0.00 0.00 0.00 51.96 50.08 1u2g s ALA 125 Cb -0.03 -2.45 0.14 0.00 0.00 0.00 0.00 23.12 20.78 1u2g s ALA 125 CO -0.00 -1.30 1.11 0.12 0.00 0.00 0.00 175.76 175.68 1u2g s PHE 126 N 1.51 3.21 -0.46 0.00 5.36 0.23 -1.25 117.98 126.59 1u2g s PHE 126 Ca 0.01 -1.50 -0.25 0.00 -0.96 0.00 0.00 56.93 54.23 1u2g s PHE 126 Cb -0.19 -4.23 0.03 0.00 -0.34 0.00 0.00 43.02 38.29 1u2g s PHE 126 CO 0.05 -1.43 0.90 0.08 -1.46 0.00 0.00 175.22 173.37 1u2g s VAL 127 N 2.34 4.50 -0.40 3.12 1.01 0.11 -0.25 120.40 130.83 1u2g s VAL 127 Ca 0.32 0.68 -0.01 0.00 0.00 0.00 0.00 61.98 62.97 1u2g s VAL 127 Cb -0.05 -4.42 0.11 0.00 0.00 0.00 0.00 36.38 32.01 1u2g s VAL 127 CO -0.09 -0.83 0.17 -0.51 0.00 0.00 0.00 175.10 173.85 1u2g s ILE 128 N 3.69 3.07 0.00 2.22 2.07 -0.07 -0.59 121.20 131.59 1u2g s ILE 128 Ca 0.36 -2.13 0.00 0.00 -1.41 0.00 0.00 60.65 57.47 1u2g s ILE 128 Cb -0.10 -3.13 0.00 0.00 0.13 0.00 0.00 42.46 39.35 1u2g s ILE 128 CO 0.26 -0.67 0.00 0.61 -1.91 0.00 0.00 174.94 173.22 1u2g n GLY 129 N 4.51 0.47 3.92 1.50 0.00 -0.76 -1.35 105.19 113.47 1u2g n GLY 129 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 1u2g n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2g s ALA 130 N -2.00 3.89 0.00 4.61 0.00 -1.26 -1.18 121.76 125.82 1u2g s ALA 130 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1u2g s ALA 130 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1u2g s ALA 130 CO 0.00 0.15 0.00 -1.71 0.00 0.00 0.00 175.76 174.20 1u2g n ASN 131 N -1.39 0.00 -0.33 0.00 5.15 -1.26 -4.89 115.26 112.53 1u2g n ASN 131 Ca -0.06 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.02 1u2g n ASN 131 Cb 0.58 0.27 0.28 0.00 -0.53 0.00 0.00 39.78 40.38 1u2g n ASN 131 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1u2g h ASP 132 N 0.00 0.72 -0.14 1.20 3.32 -1.95 -0.92 116.42 118.64 1u2g h ASP 132 Ca 0.00 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.18 1u2g h ASP 132 Cb 0.00 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1u2g h ASP 132 CO 0.00 0.28 0.23 0.58 -1.72 0.00 0.00 179.24 178.62 1u2g h VAL 133 N 0.75 0.27 -0.01 -1.35 2.07 -1.94 -2.42 116.25 113.62 1u2g h VAL 133 Ca 0.53 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.05 1u2g h VAL 133 Cb 0.76 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1u2g h VAL 133 CO -0.36 0.00 -0.36 0.35 0.02 0.00 0.00 177.57 177.22 1u2g n THR 134 N -3.45 0.00 -2.33 2.57 -2.24 -0.38 -1.53 114.28 106.93 1u2g n THR 134 Ca 0.01 -0.32 -0.43 0.00 -2.27 0.00 0.00 64.05 61.04 1u2g n THR 134 Cb 0.34 1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 69.64 1u2g n THR 134 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1u2g s ASN 135 N -1.74 6.84 0.00 3.42 3.84 -0.91 -4.73 114.94 121.65 1u2g s ASN 135 Ca 0.08 1.74 0.22 0.00 0.21 0.00 0.00 52.86 55.11 1u2g s ASN 135 Cb 0.09 -2.54 1.01 0.00 -0.55 0.00 0.00 41.25 39.26 1u2g s ASN 135 CO 0.36 -0.85 1.72 -0.81 -2.79 0.00 0.00 177.10 174.73 1u2g n PRO 136 N 6.83 0.10 0.25 0.43 -0.04 -1.26 -2.75 135.00 138.56 1u2g n PRO 136 Ca 0.15 0.10 0.17 0.00 -0.04 0.00 0.00 63.50 63.88 1u2g n PRO 136 Cb 0.45 -1.50 0.84 0.00 -0.04 0.00 0.00 33.50 33.25 1u2g n PRO 136 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u2g h ALA 137 N 2.86 1.00 0.00 0.55 0.00 -1.93 -2.34 119.26 119.40 1u2g h ALA 137 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1u2g h ALA 137 Cb 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1u2g h ALA 137 CO 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.21 1u2g h ALA 138 N 2.03 1.48 0.00 0.00 0.00 -1.72 -2.18 119.26 118.88 1u2g h ALA 138 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u2g h ALA 138 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1u2g h ALA 138 CO 0.00 0.05 0.00 0.36 0.00 0.00 0.00 179.25 179.66 1u2g n LYS 139 N -3.83 -0.82 -0.08 0.00 2.85 -0.92 -0.50 118.16 114.86 1u2g n LYS 139 Ca -0.03 -0.50 -0.10 0.00 -1.05 0.00 0.00 58.31 56.64 1u2g n LYS 139 Cb 0.13 -0.97 -0.03 0.00 -0.65 0.00 0.00 35.03 33.51 1u2g n LYS 139 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1u2g n THR 140 N -0.01 1.45 -2.95 0.58 -1.04 -1.00 -4.95 114.28 106.37 1u2g n THR 140 Ca 0.00 0.13 -0.43 0.00 -2.04 0.00 0.00 64.05 61.71 1u2g n THR 140 Cb 0.02 -2.21 -0.05 0.00 -1.82 0.00 0.00 70.33 66.27 1u2g n THR 140 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1u2g s ASP 141 N -6.04 6.44 0.45 8.00 3.68 -0.83 -4.94 116.67 123.44 1u2g s ASP 141 Ca -0.26 -0.02 0.23 0.00 2.13 0.00 0.00 52.55 54.63 1u2g s ASP 141 Cb 0.04 -2.39 1.06 0.00 -1.45 0.00 0.00 42.92 40.18 1u2g s ASP 141 CO 0.38 -0.90 1.91 -0.65 0.13 0.00 0.00 175.17 176.03 1u2g h PRO 142 N 8.92 0.00 -0.01 4.34 0.11 -1.92 -2.85 132.00 140.58 1u2g h PRO 142 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1u2g h PRO 142 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1u2g h PRO 142 CO 0.96 0.23 -0.02 -1.13 -0.21 0.00 0.00 178.00 177.83 1u2g n SER 143 N -3.60 1.03 -4.78 -2.05 3.41 -1.26 -4.87 113.62 101.50 1u2g n SER 143 Ca -0.01 -1.29 -0.36 0.00 -0.26 0.00 0.00 58.87 56.95 1u2g n SER 143 Cb 0.36 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 1u2g n SER 143 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1u2g s SER 144 N -2.05 6.31 0.50 4.04 0.15 -1.08 -4.96 113.70 116.62 1u2g s SER 144 Ca 0.40 2.19 0.23 0.00 0.70 0.00 0.00 55.95 59.46 1u2g s SER 144 Cb 0.21 -2.59 1.30 0.00 -1.71 0.00 0.00 66.02 63.23 1u2g s SER 144 CO 0.36 -0.81 2.05 -0.65 1.20 0.00 0.00 173.24 175.39 1u2g h PRO 145 N 2.06 0.00 -0.64 5.44 0.11 -1.91 -2.90 132.00 134.17 1u2g h PRO 145 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1u2g h PRO 145 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1u2g h PRO 145 CO 0.60 0.14 0.00 0.44 -0.21 0.00 0.00 178.00 178.98 1u2g n ILE 146 N -3.89 1.27 -2.03 4.15 -5.35 -1.26 -4.97 119.36 107.28 1u2g n ILE 146 Ca -0.02 -0.94 -0.42 0.00 -0.27 0.00 0.00 62.75 61.10 1u2g n ILE 146 Cb 0.24 0.21 -0.03 0.00 -1.74 0.00 0.00 39.64 38.32 1u2g n ILE 146 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1u2g s TYR 147 N -1.53 2.84 0.00 4.28 5.04 -1.10 -2.50 117.35 124.38 1u2g s TYR 147 Ca 0.43 0.62 0.00 0.00 -2.44 0.00 0.00 57.07 55.69 1u2g s TYR 147 Cb 0.26 -3.84 0.00 0.00 0.35 0.00 0.00 41.96 38.73 1u2g s TYR 147 CO 0.24 -3.18 0.00 0.41 -1.34 0.00 0.00 175.55 171.69 1u2g n GLY 148 N 3.76 3.40 3.67 8.97 0.00 0.35 -5.03 105.19 120.30 1u2g n GLY 148 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1u2g n GLY 148 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1u2g s MET 149 N -0.84 4.24 0.39 1.61 -2.45 -1.04 -4.99 119.30 116.21 1u2g s MET 149 Ca 0.00 1.87 -0.27 0.00 -1.25 0.00 0.00 55.69 56.04 1u2g s MET 149 Cb 0.00 -3.77 -0.10 0.00 1.25 0.00 0.00 34.83 32.21 1u2g s MET 149 CO 0.00 -0.70 1.38 -2.14 1.05 0.00 0.00 175.02 174.61 1u2g s PRO 150 N 3.33 4.06 0.32 4.11 0.02 -1.26 -4.77 135.00 140.81 1u2g s PRO 150 Ca 0.62 2.33 0.08 0.00 0.02 0.00 0.00 61.00 64.05 1u2g s PRO 150 Cb -0.27 -2.88 -0.06 0.00 0.02 0.00 0.00 34.50 31.31 1u2g s PRO 150 CO 0.22 -0.48 -0.06 0.96 -0.33 0.00 0.00 177.00 177.30 1u2g s ILE 151 N -1.18 1.88 -0.03 2.83 -4.36 -1.26 -5.00 121.20 114.08 1u2g s ILE 151 Ca 0.54 -2.14 -0.30 0.00 -0.26 0.00 0.00 60.65 58.50 1u2g s ILE 151 Cb -0.42 -2.60 -0.03 0.00 1.25 0.00 0.00 42.46 40.67 1u2g s ILE 151 CO 0.55 -0.22 0.99 -0.76 0.24 0.00 0.00 174.94 175.74 1u2g s LEU 152 N -3.54 4.34 -1.45 0.37 1.43 -0.58 -4.96 118.68 114.29 1u2g s LEU 152 Ca 0.32 1.63 -0.10 0.00 -1.03 0.00 0.00 54.13 54.94 1u2g s LEU 152 Cb 0.04 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.73 1u2g s LEU 152 CO 0.14 -0.31 2.44 0.47 0.23 0.00 0.00 176.35 179.32 1u2g n ASP 153 N 4.20 6.60 0.25 2.29 8.00 -1.26 -4.56 116.55 132.06 1u2g n ASP 153 Ca 0.07 -2.86 0.12 0.00 0.71 0.00 0.00 54.79 52.83 1u2g n ASP 153 Cb 0.50 -1.53 0.62 0.00 -0.02 0.00 0.00 41.12 40.70 1u2g n ASP 153 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1u2g h VAL 154 N 3.33 0.48 0.00 2.53 -1.51 -1.93 -2.93 116.25 116.22 1u2g h VAL 154 Ca 0.67 -0.78 -0.01 0.00 -1.23 0.00 0.00 66.70 65.35 1u2g h VAL 154 Cb 0.45 1.54 -0.00 0.00 -2.13 0.00 0.00 31.29 31.15 1u2g h VAL 154 CO 1.72 0.15 -0.04 1.05 -1.23 0.00 0.00 177.57 179.22 1u2g h GLU 155 N 0.00 0.00 0.00 5.19 4.11 -1.90 -2.58 114.58 119.41 1u2g h GLU 155 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1u2g h GLU 155 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1u2g h GLU 155 CO 0.02 0.04 0.00 0.87 0.07 0.00 0.00 179.01 180.01 1u2g h LYS 156 N 0.00 0.00 -7.27 1.06 1.57 -1.78 -3.45 116.57 106.71 1u2g h LYS 156 Ca -0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 1u2g h LYS 156 Cb 0.32 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.71 1u2g h LYS 156 CO 0.01 0.00 0.37 0.00 -0.57 0.00 0.00 179.45 179.26 1u2g s ALA 157 N -3.46 2.70 0.20 3.86 0.00 -0.97 -4.27 121.76 119.83 1u2g s ALA 157 Ca 0.02 0.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 1u2g s ALA 157 Cb 0.09 -3.21 0.26 0.00 0.00 0.00 0.00 23.12 20.27 1u2g s ALA 157 CO 0.40 -1.03 1.71 0.78 0.00 0.00 0.00 175.76 177.63 1u2g h GLY 158 N -0.15 0.73 -4.89 0.00 0.00 -1.14 -3.43 103.07 94.19 1u2g h GLY 158 Ca -0.45 -0.04 -0.16 0.00 0.00 0.00 0.00 47.33 46.68 1u2g h GLY 158 CO 0.57 -0.09 -0.59 -1.08 0.00 0.00 0.00 176.54 175.35 1u2g s THR 159 N -6.12 0.09 -0.13 4.70 -1.32 -0.53 -4.87 115.64 107.47 1u2g s THR 159 Ca -0.13 -0.75 -0.00 0.00 -1.21 0.00 0.00 61.69 59.59 1u2g s THR 159 Cb 0.17 -0.34 -0.02 0.00 -1.51 0.00 0.00 72.50 70.80 1u2g s THR 159 CO 0.74 -0.41 -0.12 -0.69 -2.21 0.00 0.00 174.62 171.92 1u2g s VAL 160 N -1.35 3.16 -0.27 5.08 1.01 -0.41 -1.15 120.40 126.47 1u2g s VAL 160 Ca -0.15 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 1u2g s VAL 160 Cb -0.08 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.99 1u2g s VAL 160 CO 0.00 0.52 -0.01 -0.76 0.00 0.00 0.00 175.10 174.86 1u2g s LEU 161 N 0.31 3.52 -0.25 3.92 1.02 -0.38 -0.05 118.68 126.78 1u2g s LEU 161 Ca -0.09 -0.92 -0.12 0.00 0.02 0.00 0.00 54.13 53.02 1u2g s LEU 161 Cb -0.16 -1.73 -0.05 0.00 0.02 0.00 0.00 46.19 44.27 1u2g s LEU 161 CO 0.05 -0.18 0.21 -0.36 0.02 0.00 0.00 176.35 176.10 1u2g s PHE 162 N 1.36 3.29 -0.33 0.29 0.40 -0.59 0.09 117.98 122.49 1u2g s PHE 162 Ca -0.00 0.25 -0.10 0.00 -0.60 0.00 0.00 56.93 56.48 1u2g s PHE 162 Cb -0.17 -2.35 0.00 0.00 0.51 0.00 0.00 43.02 41.01 1u2g s PHE 162 CO -0.02 -0.02 0.16 0.42 0.70 0.00 0.00 175.22 176.46 1u2g s ILE 163 N 1.35 4.59 0.06 0.64 1.01 0.24 0.17 121.20 129.26 1u2g s ILE 163 Ca 0.09 -0.53 -0.26 0.00 0.00 0.00 0.00 60.65 59.95 1u2g s ILE 163 Cb -0.14 -3.39 0.09 0.00 0.01 0.00 0.00 42.46 39.02 1u2g s ILE 163 CO 0.07 -0.01 0.74 -1.59 0.00 0.00 0.00 174.94 174.15 1u2g s LYS 164 N 1.60 1.04 0.11 2.79 -2.85 -1.10 -1.82 119.74 119.51 1u2g s LYS 164 Ca 0.04 -0.30 -0.15 0.00 -1.00 0.00 0.00 55.97 54.56 1u2g s LYS 164 Cb -0.18 0.48 -0.05 0.00 -2.06 0.00 0.00 37.83 36.02 1u2g s LYS 164 CO 0.06 -0.44 1.50 0.00 0.10 0.00 0.00 175.35 176.57 1u2g h ARG 165 N 2.13 0.66 0.00 1.78 3.08 -1.78 -1.51 114.38 118.73 1u2g h ARG 165 Ca -0.28 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.51 1u2g h ARG 165 Cb 1.26 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1u2g h ARG 165 CO 0.35 0.83 0.00 -1.13 -1.07 0.00 0.00 179.97 178.95 1u2g n SER 166 N -4.41 0.57 -1.08 7.04 3.41 -1.26 -3.77 113.62 114.11 1u2g n SER 166 Ca -0.02 -0.69 0.07 0.00 -0.26 0.00 0.00 58.87 57.97 1u2g n SER 166 Cb 0.35 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.53 1u2g n SER 166 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1u2g n MET 167 N 0.00 2.65 -1.95 4.33 2.81 -1.26 -4.99 117.12 118.71 1u2g n MET 167 Ca 0.00 -1.85 -0.35 0.00 -1.81 0.00 0.00 57.70 53.68 1u2g n MET 167 Cb 0.00 -1.61 0.04 0.00 -0.71 0.00 0.00 33.22 30.94 1u2g n MET 167 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1u2g s ALA 168 N -1.65 2.51 1.13 3.04 0.00 -1.26 -5.02 121.76 120.51 1u2g s ALA 168 Ca 0.33 0.92 -0.18 0.00 0.00 0.00 0.00 51.96 53.03 1u2g s ALA 168 Cb 0.21 -3.43 0.26 0.00 0.00 0.00 0.00 23.12 20.16 1u2g s ALA 168 CO 0.18 -1.20 1.18 -1.54 0.00 0.00 0.00 175.76 174.37 1u2g s SER 169 N -1.77 1.60 0.00 0.00 1.04 -1.26 -5.08 113.70 108.23 1u2g s SER 169 Ca 0.75 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.69 1u2g s SER 169 Cb -0.28 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.15 1u2g s SER 169 CO 0.34 -3.69 0.00 0.61 0.98 0.00 0.00 173.24 171.48 1u2g n GLY 170 N -1.85 1.21 0.30 7.32 0.00 -1.26 -4.91 105.19 106.01 1u2g n GLY 170 Ca 0.14 -1.82 -0.03 0.00 0.00 0.00 0.00 46.02 44.31 1u2g n GLY 170 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1u2g h TYR 171 N 0.00 0.96 0.00 1.61 3.20 -1.98 -2.83 116.97 117.93 1u2g h TYR 171 Ca 0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1u2g h TYR 171 Cb 0.00 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 37.95 1u2g h TYR 171 CO 0.00 0.58 -0.08 0.00 -1.64 0.00 0.00 178.16 177.02 1u2g h ALA 172 N 1.30 1.04 -0.72 1.82 0.00 -2.01 -3.47 119.26 117.22 1u2g h ALA 172 Ca 0.30 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1u2g h ALA 172 Cb -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1u2g h ALA 172 CO -0.08 0.10 -0.03 0.41 0.00 0.00 0.00 179.25 179.64 1u2g n GLY 173 N -0.07 0.62 3.25 0.00 0.00 -1.07 -4.95 105.19 102.97 1u2g n GLY 173 Ca -0.00 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.14 1u2g n GLY 173 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u2g s VAL 174 N -2.56 1.20 0.56 1.61 -7.23 -1.26 -4.99 120.40 107.73 1u2g s VAL 174 Ca 0.02 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.09 1u2g s VAL 174 Cb -0.01 -1.76 -0.06 0.00 0.56 0.00 0.00 36.38 35.12 1u2g s VAL 174 CO 0.02 -0.67 0.98 -1.61 -0.31 0.00 0.00 175.10 173.51 1u2g s GLU 175 N -3.47 3.74 -0.26 4.82 0.41 -1.26 -4.36 118.70 118.32 1u2g s GLU 175 Ca 0.15 0.77 -0.04 0.00 -0.41 0.00 0.00 54.97 55.44 1u2g s GLU 175 Cb 0.01 -2.14 0.02 0.00 -1.78 0.00 0.00 34.13 30.23 1u2g s GLU 175 CO 0.01 -0.39 -0.01 1.21 -0.49 0.00 0.00 175.26 175.59 1u2g s ASN 176 N -3.68 4.62 0.41 -0.19 3.84 -1.26 -4.97 114.94 113.71 1u2g s ASN 176 Ca 0.56 -0.75 0.17 0.00 0.21 0.00 0.00 52.86 53.05 1u2g s ASN 176 Cb -0.10 -1.76 1.06 0.00 -0.55 0.00 0.00 41.25 39.90 1u2g s ASN 176 CO 0.43 -0.14 1.85 -0.33 -2.79 0.00 0.00 177.10 176.12 1u2g h GLU 177 N 8.11 0.42 -0.19 0.43 5.08 -1.98 -1.83 114.58 124.62 1u2g h GLU 177 Ca -0.33 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1u2g h GLU 177 Cb 1.12 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1u2g h GLU 177 CO 0.59 0.28 0.13 -0.07 -1.00 0.00 0.00 179.01 178.94 1u2g h LEU 178 N 0.44 0.07 -0.51 1.33 3.38 -1.94 -2.71 115.31 115.37 1u2g h LEU 178 Ca 0.48 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.54 1u2g h LEU 178 Cb 1.16 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.82 1u2g h LEU 178 CO -0.19 0.05 0.06 -0.26 0.09 0.00 0.00 178.44 178.18 1u2g h PHE 179 N 0.08 0.09 -0.73 1.13 0.04 -1.75 -1.99 116.94 113.80 1u2g h PHE 179 Ca 0.09 0.03 -0.29 0.00 2.80 0.00 0.00 57.97 60.60 1u2g h PHE 179 Cb 0.25 0.04 -0.17 0.00 2.20 0.00 0.00 35.95 38.26 1u2g h PHE 179 CO -0.00 -0.05 0.32 1.97 -0.60 0.00 0.00 178.31 179.95 1u2g n PHE 180 N -5.16 2.35 -2.58 -0.55 -1.74 -1.03 -4.41 117.46 104.33 1u2g n PHE 180 Ca 0.06 -1.45 -0.33 0.00 -0.56 0.00 0.00 57.45 55.17 1u2g n PHE 180 Cb 0.26 -0.72 -0.05 0.00 1.52 0.00 0.00 39.48 40.50 1u2g n PHE 180 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 1u2g s ARG 181 N -3.12 3.97 0.28 3.97 3.52 -0.75 -4.96 118.95 121.86 1u2g s ARG 181 Ca 0.53 1.15 -0.04 0.00 -0.13 0.00 0.00 55.73 57.25 1u2g s ARG 181 Cb 0.44 -2.13 0.36 0.00 -1.56 0.00 0.00 34.95 32.06 1u2g s ARG 181 CO 0.10 -0.26 1.95 -0.91 -0.81 0.00 0.00 175.30 175.37 1u2g h ASN 182 N 1.46 1.05 -0.44 -2.12 2.35 -1.93 -2.93 115.58 113.03 1u2g h ASN 182 Ca -0.48 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 1u2g h ASN 182 Cb 1.19 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.30 1u2g h ASN 182 CO 0.60 0.76 0.00 0.59 -1.65 0.00 0.00 177.43 177.73 1u2g n ASN 183 N -4.40 4.15 -4.61 5.81 3.02 -1.26 -4.89 115.26 113.08 1u2g n ASN 183 Ca 0.11 -2.55 -0.31 0.00 -0.03 0.00 0.00 54.58 51.80 1u2g n ASN 183 Cb 0.02 -0.58 -0.10 0.00 -0.61 0.00 0.00 39.78 38.51 1u2g n ASN 183 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1u2g s THR 184 N -2.09 3.65 -0.09 3.41 2.01 -1.11 -1.28 115.64 120.14 1u2g s THR 184 Ca 0.39 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.45 1u2g s THR 184 Cb 0.28 -2.64 0.02 0.00 0.01 0.00 0.00 72.50 70.17 1u2g s THR 184 CO 0.14 0.27 -0.06 -0.32 -0.69 0.00 0.00 174.62 173.97 1u2g s MET 185 N -1.77 1.21 -0.06 4.92 0.00 0.93 -4.68 119.30 119.86 1u2g s MET 185 Ca 0.20 -0.15 -0.21 0.00 0.00 0.00 0.00 55.69 55.53 1u2g s MET 185 Cb -0.11 -1.32 -0.04 0.00 0.00 0.00 0.00 34.83 33.35 1u2g s MET 185 CO 0.11 -0.23 0.59 -1.64 0.00 0.00 0.00 175.02 173.84 1u2g s MET 186 N 1.61 4.35 -0.63 4.11 -1.94 -0.93 -1.54 119.30 124.33 1u2g s MET 186 Ca 0.02 0.68 -0.03 0.00 -1.71 0.00 0.00 55.69 54.65 1u2g s MET 186 Cb -0.13 -3.40 0.16 0.00 2.01 0.00 0.00 34.83 33.47 1u2g s MET 186 CO -0.05 0.22 0.45 -0.51 -0.01 0.00 0.00 175.02 175.11 1u2g s LEU 187 N 0.34 5.22 -0.42 -0.03 1.02 0.13 -0.05 118.68 124.89 1u2g s LEU 187 Ca 0.31 -2.90 -0.28 0.00 0.02 0.00 0.00 54.13 51.28 1u2g s LEU 187 Cb -0.17 -1.85 0.02 0.00 0.02 0.00 0.00 46.19 44.21 1u2g s LEU 187 CO 0.15 -0.36 1.07 -0.36 0.02 0.00 0.00 176.35 176.88 1u2g s PHE 188 N -0.13 2.96 -4.08 0.29 0.08 -1.25 -2.71 117.98 113.13 1u2g s PHE 188 Ca 0.17 0.83 0.00 0.00 0.12 0.00 0.00 56.93 58.05 1u2g s PHE 188 Cb -0.20 -4.07 0.00 0.00 -0.57 0.00 0.00 43.02 38.18 1u2g s PHE 188 CO -0.03 -1.05 0.00 0.41 -0.10 0.00 0.00 175.22 174.45 1u2g n GLY 189 N 4.51 -2.45 3.77 4.36 0.00 -0.57 -4.92 105.19 109.89 1u2g n GLY 189 Ca 0.11 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 1u2g n GLY 189 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u2g s ASP 190 N -0.52 6.67 0.25 1.61 -1.08 -1.26 -2.58 116.67 119.76 1u2g s ASP 190 Ca 0.00 2.50 0.03 0.00 -0.52 0.00 0.00 52.55 54.56 1u2g s ASP 190 Cb 0.00 -2.63 0.32 0.00 -1.46 0.00 0.00 42.92 39.15 1u2g s ASP 190 CO 0.00 -0.59 1.62 0.00 0.52 0.00 0.00 175.17 176.73 1u2g h ALA 191 N 3.05 0.95 -0.10 3.66 0.00 -1.91 -0.01 119.26 124.89 1u2g h ALA 191 Ca -0.49 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 53.85 1u2g h ALA 191 Cb 1.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1u2g h ALA 191 CO 0.64 0.65 -0.40 -0.22 0.00 0.00 0.00 179.25 179.92 1u2g h LYS 192 N 0.28 0.45 -0.19 0.00 3.64 -1.89 -2.56 116.57 116.30 1u2g h LYS 192 Ca 0.02 -0.35 -0.04 0.00 -1.27 0.00 0.00 60.65 59.01 1u2g h LYS 192 Cb 0.93 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1u2g h LYS 192 CO 0.08 0.98 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.97 1u2g h LYS 193 N 0.03 0.36 0.07 1.90 1.63 -1.89 -0.70 116.57 117.98 1u2g h LYS 193 Ca -0.02 -0.14 0.01 0.00 -0.85 0.00 0.00 60.65 59.66 1u2g h LYS 193 Cb 1.03 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.62 1u2g h LYS 193 CO 0.08 0.62 -0.16 0.52 -3.45 0.00 0.00 179.45 177.06 1u2g h MET 194 N 0.08 -0.29 -0.61 1.90 2.86 -1.10 -0.66 114.93 117.11 1u2g h MET 194 Ca 0.05 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1u2g h MET 194 Cb 0.48 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1u2g h MET 194 CO 0.02 -0.19 0.31 1.15 1.06 0.00 0.00 176.91 179.25 1u2g h THR 195 N -0.30 1.21 -0.49 2.22 2.02 -1.44 0.26 112.91 116.39 1u2g h THR 195 Ca 0.03 -0.56 0.06 0.00 0.77 0.00 0.00 66.41 66.71 1u2g h THR 195 Cb 0.33 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 1u2g h THR 195 CO -0.10 0.23 0.18 -0.33 0.37 0.00 0.00 175.52 175.87 1u2g h GLU 196 N 0.83 0.35 -0.23 6.66 5.08 -1.00 -0.67 114.58 125.59 1u2g h GLU 196 Ca 0.21 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1u2g h GLU 196 Cb 0.09 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1u2g h GLU 196 CO -0.03 0.23 -0.27 1.96 -1.00 0.00 0.00 179.01 179.90 1u2g h GLN 197 N 0.36 0.45 -0.54 2.33 4.20 -0.43 -2.79 115.11 118.68 1u2g h GLN 197 Ca 0.23 -0.17 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 1u2g h GLN 197 Cb 0.23 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1u2g h GLN 197 CO -0.23 0.68 -0.01 0.82 -0.67 0.00 0.00 178.83 179.42 1u2g h ILE 198 N 0.39 1.26 -0.29 2.54 2.04 0.00 -2.55 117.51 120.90 1u2g h ILE 198 Ca 0.06 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 64.78 1u2g h ILE 198 Cb 0.68 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1u2g h ILE 198 CO 0.05 0.39 0.05 0.58 0.00 0.00 0.00 178.15 179.23 1u2g h VAL 199 N 0.86 1.15 -0.24 1.67 2.07 -0.92 -2.86 116.25 117.98 1u2g h VAL 199 Ca 0.16 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 1u2g h VAL 199 Cb 0.52 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1u2g h VAL 199 CO 0.03 0.20 -0.17 1.56 0.02 0.00 0.00 177.57 179.21 1u2g h GLN 200 N 0.42 0.54 0.00 1.57 1.08 -1.20 -2.94 115.11 114.59 1u2g h GLN 200 Ca 0.10 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.02 1u2g h GLN 200 Cb 0.20 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1u2g h GLN 200 CO -0.00 0.83 -0.10 0.00 -0.95 0.00 0.00 178.83 178.61 1u2g h ALA 201 N 0.70 1.67 -2.40 3.87 0.00 -1.39 -3.42 119.26 118.30 1u2g h ALA 201 Ca 0.05 -0.09 -0.46 0.00 0.00 0.00 0.00 54.91 54.41 1u2g h ALA 201 Cb 0.69 -0.02 0.09 0.00 0.00 0.00 0.00 17.79 18.56 1u2g h ALA 201 CO 0.05 0.12 0.30 -1.64 0.00 0.00 0.00 179.25 178.07 1u2g s MET 202 N -4.67 2.07 0.00 0.00 -1.94 -1.09 -5.01 119.30 108.66 1u2g s MET 202 Ca -0.04 -0.14 0.00 0.00 -1.71 0.00 0.00 55.69 53.80 1u2g s MET 202 Cb 0.16 -2.08 0.00 0.00 2.01 0.00 0.00 34.83 34.91 1u2g s MET 202 CO 0.65 -1.40 0.10 0.09 -0.01 0.00 0.00 175.02 174.45