#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mal s GLU 36 N 0.00 4.32 -0.27 7.34 2.02 -1.26 -1.09 118.70 129.77 3mal s GLU 36 Ca 0.00 1.89 -0.20 0.00 0.02 0.00 0.00 54.97 56.68 3mal s GLU 36 Cb 0.00 -3.51 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 3mal s GLU 36 CO 0.00 -0.49 0.61 0.42 0.02 0.00 0.00 175.26 175.81 3mal s ILE 37 N 2.07 4.99 0.26 -1.63 1.01 0.44 -4.82 121.20 123.51 3mal s ILE 37 Ca 0.61 1.02 0.08 0.00 0.00 0.00 0.00 60.65 62.37 3mal s ILE 37 Cb -0.30 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 3mal s ILE 37 CO 0.26 0.01 0.10 0.42 0.00 0.00 0.00 174.94 175.73 3mal s THR 38 N 2.48 3.99 0.45 2.92 -4.23 -1.26 -2.05 115.64 117.94 3mal s THR 38 Ca 0.25 -1.63 -0.25 0.00 -1.18 0.00 0.00 61.69 58.87 3mal s THR 38 Cb -0.15 -3.14 -0.08 0.00 1.34 0.00 0.00 72.50 70.46 3mal s THR 38 CO 0.09 -0.36 1.40 -0.31 -0.54 0.00 0.00 174.62 174.90 3mal s TYR 39 N -2.21 2.51 0.00 3.99 1.51 -0.28 -2.04 117.35 120.83 3mal s TYR 39 Ca 0.32 1.30 0.00 0.00 -1.01 0.00 0.00 57.07 57.68 3mal s TYR 39 Cb -0.07 -3.87 0.00 0.00 -0.11 0.00 0.00 41.96 37.91 3mal s TYR 39 CO 0.23 -2.78 0.00 0.41 -1.11 0.00 0.00 175.55 172.30 3mal n GLY 40 N 0.60 0.94 3.81 0.71 0.00 0.21 -0.99 105.19 110.47 3mal n GLY 40 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3mal n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mal s SER 41 N -2.70 6.46 -0.19 1.61 0.01 -0.87 -4.79 113.70 113.22 3mal s SER 41 Ca 0.00 1.80 -0.10 0.00 1.31 0.00 0.00 55.95 58.96 3mal s SER 41 Cb 0.00 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 3mal s SER 41 CO 0.00 -0.70 0.13 0.00 0.41 0.00 0.00 173.24 173.08 3mal s ALA 42 N -2.19 3.68 0.09 1.44 0.00 -0.50 -1.60 121.76 122.69 3mal s ALA 42 Ca 0.64 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.94 3mal s ALA 42 Cb -0.13 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 3mal s ALA 42 CO 0.22 0.19 -0.08 0.96 0.00 0.00 0.00 175.76 177.05 3mal s ILE 43 N 0.29 0.76 0.11 0.00 -4.36 -0.10 0.28 121.20 118.17 3mal s ILE 43 Ca 0.08 -1.69 0.03 0.00 -0.26 0.00 0.00 60.65 58.80 3mal s ILE 43 Cb -0.11 -1.39 -0.04 0.00 1.25 0.00 0.00 42.46 42.17 3mal s ILE 43 CO -0.02 -0.69 0.16 -0.54 0.24 0.00 0.00 174.94 174.10 3mal s LYS 44 N -3.10 3.13 -0.24 0.37 1.02 -0.63 -1.30 119.74 118.99 3mal s LYS 44 Ca 0.06 -0.65 0.02 0.00 0.02 0.00 0.00 55.97 55.42 3mal s LYS 44 Cb -0.00 -2.83 0.05 0.00 -0.52 0.00 0.00 37.83 34.53 3mal s LYS 44 CO -0.02 0.55 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.67 3mal s LEU 45 N -2.73 3.01 -0.19 3.17 2.96 -1.26 -0.93 118.68 122.70 3mal s LEU 45 Ca 0.32 -1.19 -0.10 0.00 -0.22 0.00 0.00 54.13 52.94 3mal s LEU 45 Cb -0.12 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.05 3mal s LEU 45 CO 0.25 -0.16 0.14 -0.32 -1.32 0.00 0.00 176.35 174.94 3mal s MET 46 N 1.19 4.13 -0.05 1.98 -2.45 0.77 -1.09 119.30 123.79 3mal s MET 46 Ca -0.05 -0.20 -0.30 0.00 -1.25 0.00 0.00 55.69 53.89 3mal s MET 46 Cb -0.18 -3.40 -0.06 0.00 1.25 0.00 0.00 34.83 32.44 3mal s MET 46 CO -0.07 0.34 1.70 -1.58 1.05 0.00 0.00 175.02 176.46 3mal s HIS 47 N 0.25 1.87 0.20 4.11 2.46 -0.30 -0.49 115.29 123.39 3mal s HIS 47 Ca 0.09 0.11 -0.11 0.00 0.47 0.00 0.00 55.06 55.62 3mal s HIS 47 Cb -0.11 -3.97 0.16 0.00 -0.13 0.00 0.00 32.58 28.53 3mal s HIS 47 CO -0.01 -4.09 1.85 1.49 -2.47 0.00 0.00 174.74 171.50 3mal h GLU 48 N 9.76 0.80 0.01 2.88 4.81 -1.52 0.72 114.58 132.03 3mal h GLU 48 Ca -0.41 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3mal h GLU 48 Cb 1.19 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3mal h GLU 48 CO 0.95 0.53 -0.00 -0.22 -0.73 0.00 0.00 179.01 179.54 3mal h LYS 49 N 0.82 -0.01 0.00 1.92 1.63 -1.81 -3.35 116.57 115.77 3mal h LYS 49 Ca 0.26 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 3mal h LYS 49 Cb -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3mal h LYS 49 CO -0.09 0.51 -1.30 0.25 -3.45 0.00 0.00 179.45 175.36 3mal n THR 50 N -4.85 0.13 -0.90 1.00 -2.24 -1.23 -4.97 114.28 101.23 3mal n THR 50 Ca -0.09 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3mal n THR 50 Cb 0.27 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 3mal n THR 50 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3mal n LYS 51 N -2.03 -0.26 -2.11 -0.78 4.76 0.24 -5.02 118.16 112.96 3mal n LYS 51 Ca 0.00 0.06 -0.34 0.00 -2.87 0.00 0.00 58.31 55.17 3mal n LYS 51 Cb 0.47 -3.37 0.01 0.00 -1.84 0.00 0.00 35.03 30.30 3mal n LYS 51 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3mal s PHE 52 N -2.48 2.75 -0.13 2.13 0.40 -1.26 -4.66 117.98 114.73 3mal s PHE 52 Ca 0.00 1.55 -0.06 0.00 -0.60 0.00 0.00 56.93 57.81 3mal s PHE 52 Cb 0.00 -3.18 -0.04 0.00 0.51 0.00 0.00 43.02 40.31 3mal s PHE 52 CO 0.00 -1.43 0.10 1.03 0.70 0.00 0.00 175.22 175.62 3mal s ARG 53 N -3.65 3.46 0.12 0.44 3.00 0.46 -1.15 118.95 121.63 3mal s ARG 53 Ca 0.69 -0.22 -0.33 0.00 0.00 0.00 0.00 55.73 55.86 3mal s ARG 53 Cb -0.21 -3.12 -0.13 0.00 0.00 0.00 0.00 34.95 31.49 3mal s ARG 53 CO 0.32 0.67 1.68 -0.11 0.00 0.00 0.00 175.30 177.86 3mal n LEU 54 N 2.31 3.39 -3.83 2.53 7.94 -0.25 -0.30 117.00 128.79 3mal n LEU 54 Ca -0.19 1.05 -0.12 0.00 -1.11 0.00 0.00 56.01 55.64 3mal n LEU 54 Cb 0.54 -1.45 -0.11 0.00 0.53 0.00 0.00 43.42 42.93 3mal n LEU 54 CO 0.31 -0.13 -0.14 -2.28 -1.11 0.00 0.00 177.39 174.04 3mal s HIS 55 N 1.72 -0.10 0.32 1.96 5.65 -0.12 -4.52 115.29 120.20 3mal s HIS 55 Ca 0.81 0.23 0.07 0.00 0.25 0.00 0.00 55.06 56.42 3mal s HIS 55 Cb -0.63 0.02 -0.03 0.00 -1.18 0.00 0.00 32.58 30.76 3mal s HIS 55 CO 0.39 -0.21 0.26 0.45 -0.65 0.00 0.00 174.74 174.98 3mal n SER 56 N 2.17 -0.57 -3.66 9.88 2.88 -1.00 -0.99 113.62 122.34 3mal n SER 56 Ca -0.18 -3.06 0.02 0.00 -1.33 0.00 0.00 58.87 54.32 3mal n SER 56 Cb 0.57 1.55 0.00 0.00 -0.75 0.00 0.00 64.21 65.58 3mal n SER 56 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 3mal s HIS 57 N -3.26 -0.02 -0.86 0.66 -3.43 -1.26 -4.77 115.29 102.35 3mal s HIS 57 Ca 0.37 -0.07 -0.06 0.00 -0.80 0.00 0.00 55.06 54.50 3mal s HIS 57 Cb 0.02 0.54 -0.02 0.00 -1.43 0.00 0.00 32.58 31.68 3mal s HIS 57 CO 0.26 -0.22 2.88 -3.47 -2.00 0.00 0.00 174.74 172.20 3mal n ASP 58 N -0.63 7.16 -3.72 7.38 2.03 -1.26 -4.60 116.55 122.91 3mal n ASP 58 Ca -0.06 -2.90 -0.12 0.00 0.52 0.00 0.00 54.79 52.23 3mal n ASP 58 Cb 0.62 -1.38 -0.12 0.00 -0.72 0.00 0.00 41.12 39.53 3mal n ASP 58 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3mal s VAL 59 N -0.31 -0.03 0.59 5.18 0.11 -1.26 -5.09 120.40 119.59 3mal s VAL 59 Ca 0.62 0.10 -0.07 0.00 -2.93 0.00 0.00 61.98 59.69 3mal s VAL 59 Cb 0.27 -0.49 -0.00 0.00 -1.53 0.00 0.00 36.38 34.63 3mal s VAL 59 CO -0.10 0.04 0.92 -2.16 -3.33 0.00 0.00 175.10 170.46 3mal s PRO 60 N 1.10 3.06 0.56 1.54 0.04 -1.26 -1.28 135.00 138.77 3mal s PRO 60 Ca -0.08 0.15 -0.19 0.00 0.04 0.00 0.00 61.00 60.92 3mal s PRO 60 Cb -0.08 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 3mal s PRO 60 CO -0.08 -0.65 1.16 0.71 0.04 0.00 0.00 177.00 178.17 3mal s TYR 61 N -3.01 2.57 0.12 0.56 2.02 -0.06 -4.66 117.35 114.89 3mal s TYR 61 Ca 0.53 1.53 -0.06 0.00 -0.37 0.00 0.00 57.07 58.70 3mal s TYR 61 Cb -0.11 -3.36 -0.11 0.00 -0.40 0.00 0.00 41.96 37.99 3mal s TYR 61 CO 0.47 -1.80 1.30 0.78 -1.57 0.00 0.00 175.55 174.72 3mal h GLY 62 N 1.10 0.55 0.00 0.71 0.00 -1.92 -3.38 103.07 100.14 3mal h GLY 62 Ca -0.50 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 45.90 3mal h GLY 62 CO 0.56 0.82 0.00 1.44 0.00 0.00 0.00 176.54 179.36 3mal n SER 63 N -3.79 0.00 0.00 0.19 7.64 -1.26 -4.75 113.62 111.65 3mal n SER 63 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 3mal n SER 63 Cb 0.82 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 3mal n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mal n GLY 64 N 4.43 3.18 0.08 0.23 0.00 -1.26 -0.96 105.19 110.88 3mal n GLY 64 Ca 0.00 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.29 3mal n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mal n SER 65 N 4.55 0.73 -0.22 1.61 3.41 -1.26 -4.92 113.62 117.51 3mal n SER 65 Ca 0.00 0.36 -0.03 0.00 -0.26 0.00 0.00 58.87 58.94 3mal n SER 65 Cb 0.00 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 63.58 3mal n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mal n GLY 66 N 1.33 0.41 3.88 5.00 0.00 -0.14 -5.01 105.19 110.67 3mal n GLY 66 Ca 0.05 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3mal n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mal s GLN 67 N -1.78 1.08 0.25 1.61 -0.21 -1.26 -4.40 119.66 114.95 3mal s GLN 67 Ca 0.00 -0.10 -0.31 0.00 0.02 0.00 0.00 55.36 54.96 3mal s GLN 67 Cb 0.00 -1.87 -0.12 0.00 1.00 0.00 0.00 33.01 32.02 3mal s GLN 67 CO 0.00 -2.17 1.56 0.94 -2.12 0.00 0.00 175.29 173.50 3mal n GLN 68 N -3.66 2.46 -2.42 2.91 7.27 -1.19 -0.88 117.38 121.87 3mal n GLN 68 Ca 0.11 0.88 -0.31 0.00 0.07 0.00 0.00 57.00 57.76 3mal n GLN 68 Cb 0.60 -2.63 -0.02 0.00 2.41 0.00 0.00 30.24 30.60 3mal n GLN 68 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 3mal s SER 69 N 0.58 6.44 -0.01 1.69 1.04 -0.40 -0.40 113.70 122.64 3mal s SER 69 Ca 0.68 1.31 0.03 0.00 0.48 0.00 0.00 55.95 58.46 3mal s SER 69 Cb -0.56 -2.41 -0.01 0.00 0.10 0.00 0.00 66.02 63.14 3mal s SER 69 CO 0.45 -0.61 -0.11 -0.69 0.98 0.00 0.00 173.24 173.26 3mal s VAL 70 N -2.71 0.89 0.24 5.02 1.01 -1.26 -4.13 120.40 119.46 3mal s VAL 70 Ca 0.54 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 3mal s VAL 70 Cb -0.10 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 3mal s VAL 70 CO 0.39 0.26 0.22 0.42 0.00 0.00 0.00 175.10 176.38 3mal s THR 71 N -0.19 0.00 -0.19 3.92 -4.23 -0.16 -4.16 115.64 110.63 3mal s THR 71 Ca 0.03 -1.91 -0.16 0.00 -1.18 0.00 0.00 61.69 58.46 3mal s THR 71 Cb -0.05 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 3mal s THR 71 CO -0.00 0.00 0.41 -0.83 -0.54 0.00 0.00 174.62 173.66 3mal s GLY 72 N -3.19 2.14 -0.14 3.99 0.00 0.20 -0.94 107.32 109.38 3mal s GLY 72 Ca 0.37 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.64 3mal s GLY 72 CO 0.15 0.80 -0.17 -0.12 0.00 0.00 0.00 173.10 173.76 3mal s PHE 73 N 1.16 2.74 0.03 1.90 5.36 0.59 -1.12 117.98 128.64 3mal s PHE 73 Ca 0.20 -0.96 0.10 0.00 -0.96 0.00 0.00 56.93 55.31 3mal s PHE 73 Cb -0.15 -1.84 -0.20 0.00 -0.34 0.00 0.00 43.02 40.49 3mal s PHE 73 CO 0.08 -0.41 1.02 -1.00 -1.46 0.00 0.00 175.22 173.45 3mal h PRO 74 N 7.04 0.00 -6.96 10.12 0.13 -1.87 0.13 132.00 140.59 3mal h PRO 74 Ca -0.28 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.34 3mal h PRO 74 Cb 1.21 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.40 3mal h PRO 74 CO 0.55 0.73 0.52 0.20 -0.23 0.00 0.00 178.00 179.77 3mal s GLY 75 N -4.86 2.85 0.08 1.56 0.00 -1.26 -4.84 107.32 100.85 3mal s GLY 75 Ca -0.01 1.01 -0.17 0.00 0.00 0.00 0.00 44.72 45.54 3mal s GLY 75 CO 0.82 1.52 1.43 -2.08 0.00 0.00 0.00 173.10 174.78 3mal h VAL 76 N 2.19 1.31 -3.48 1.40 2.07 -2.00 -3.42 116.25 114.32 3mal h VAL 76 Ca -0.49 -1.27 -0.70 0.00 0.82 0.00 0.00 66.70 65.06 3mal h VAL 76 Cb 1.24 1.60 -0.19 0.00 -1.52 0.00 0.00 31.29 32.42 3mal h VAL 76 CO 0.62 0.39 -0.19 0.54 0.02 0.00 0.00 177.57 178.95 3mal s VAL 77 N -4.51 5.08 -0.30 2.57 0.11 -1.26 -4.94 120.40 117.16 3mal s VAL 77 Ca -0.13 -0.44 -0.05 0.00 -2.93 0.00 0.00 61.98 58.43 3mal s VAL 77 Cb 0.07 -4.08 0.19 0.00 -1.53 0.00 0.00 36.38 31.03 3mal s VAL 77 CO 0.79 -0.49 0.86 -0.62 -3.33 0.00 0.00 175.10 172.31 3mal s ASP 78 N 1.99 -0.91 0.50 3.54 3.68 -1.26 -5.02 116.67 119.19 3mal s ASP 78 Ca 0.12 0.19 0.23 0.00 2.13 0.00 0.00 52.55 55.22 3mal s ASP 78 Cb -0.18 1.61 1.31 0.00 -1.45 0.00 0.00 42.92 44.22 3mal s ASP 78 CO 0.13 -0.17 2.05 0.77 0.13 0.00 0.00 175.17 178.08 3mal h SER 79 N 7.66 0.00 0.11 -0.34 4.64 -1.99 -1.73 113.55 121.90 3mal h SER 79 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3mal h SER 79 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3mal h SER 79 CO 0.01 0.14 0.00 0.59 -0.87 0.00 0.00 176.83 176.70 3mal n ASN 80 N -3.87 0.00 -0.62 4.97 3.02 -1.26 -2.05 115.26 115.45 3mal n ASN 80 Ca -0.02 -0.01 0.13 0.00 -0.03 0.00 0.00 54.58 54.65 3mal n ASN 80 Cb 0.24 -0.18 0.35 0.00 -0.61 0.00 0.00 39.78 39.57 3mal n ASN 80 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3mal n SER 81 N -1.18 1.97 -4.81 6.41 7.64 -0.65 -2.36 113.62 120.64 3mal n SER 81 Ca 0.05 -1.61 -0.38 0.00 1.01 0.00 0.00 58.87 57.94 3mal n SER 81 Cb 0.06 0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.23 3mal n SER 81 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3mal s TYR 82 N -2.07 3.73 -0.00 1.43 1.51 -0.87 -4.37 117.35 116.71 3mal s TYR 82 Ca 0.32 1.09 0.04 0.00 -1.01 0.00 0.00 57.07 57.51 3mal s TYR 82 Cb 0.20 -2.40 -0.01 0.00 -0.11 0.00 0.00 41.96 39.65 3mal s TYR 82 CO 0.35 0.57 -0.12 -1.58 -1.11 0.00 0.00 175.55 173.66 3mal s TRP 83 N -0.89 1.04 -0.21 2.71 0.52 -0.42 -1.94 118.94 119.75 3mal s TRP 83 Ca 0.26 -0.22 -0.14 0.00 0.02 0.00 0.00 56.10 56.02 3mal s TRP 83 Cb -0.18 -0.66 -0.04 0.00 -1.15 0.00 0.00 33.47 31.44 3mal s TRP 83 CO 0.15 -0.01 0.33 0.42 0.02 0.00 0.00 176.95 177.86 3mal s ILE 84 N -0.36 5.24 -0.15 2.03 -1.09 0.12 -0.92 121.20 126.07 3mal s ILE 84 Ca 0.04 0.56 -0.29 0.00 -2.23 0.00 0.00 60.65 58.73 3mal s ILE 84 Cb -0.05 -3.67 -0.01 0.00 -1.58 0.00 0.00 42.46 37.16 3mal s ILE 84 CO -0.00 0.28 1.10 -0.69 -1.23 0.00 0.00 174.94 174.39 3mal s VAL 85 N 1.23 4.57 0.09 2.92 1.01 -0.63 -1.35 120.40 128.25 3mal s VAL 85 Ca 0.16 1.88 0.05 0.00 0.00 0.00 0.00 61.98 64.07 3mal s VAL 85 Cb -0.14 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 3mal s VAL 85 CO 0.07 -0.09 -0.13 -0.54 0.00 0.00 0.00 175.10 174.41 3mal s LYS 86 N 2.75 0.89 0.93 2.72 1.02 -0.10 -0.62 119.74 127.33 3mal s LYS 86 Ca 0.49 -1.09 -0.14 0.00 0.02 0.00 0.00 55.97 55.25 3mal s LYS 86 Cb -0.19 -0.79 0.16 0.00 -0.52 0.00 0.00 37.83 36.49 3mal s LYS 86 CO 0.14 0.16 1.20 -1.25 -0.92 0.00 0.00 175.35 174.67 3mal s PRO 87 N -2.25 0.95 0.27 -1.68 0.04 -1.26 -0.40 135.00 130.66 3mal s PRO 87 Ca 0.03 0.00 -0.27 0.00 0.04 0.00 0.00 61.00 60.80 3mal s PRO 87 Cb -0.07 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 3mal s PRO 87 CO 0.02 -2.27 0.91 0.14 0.04 0.00 0.00 177.00 175.84 3mal s VAL 88 N -3.50 4.18 0.64 -0.36 -7.23 -1.26 -4.57 120.40 108.30 3mal s VAL 88 Ca 0.67 1.91 0.34 0.00 -1.81 0.00 0.00 61.98 63.09 3mal s VAL 88 Cb -0.10 -4.16 0.37 0.00 0.56 0.00 0.00 36.38 33.05 3mal s VAL 88 CO 0.52 0.34 2.12 1.55 -0.31 0.00 0.00 175.10 179.33 3mal h PRO 89 N 3.74 0.00 0.00 4.82 0.13 -1.99 -2.93 132.00 135.77 3mal h PRO 89 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3mal h PRO 89 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3mal h PRO 89 CO 0.66 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 179.21 3mal h GLY 90 N 0.00 0.00 -2.04 1.56 0.00 -2.00 -3.49 103.07 97.11 3mal h GLY 90 Ca 0.03 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.88 3mal h GLY 90 CO -0.00 0.00 -0.30 -0.51 0.00 0.00 0.00 176.54 175.73 3mal s THR 91 N -3.42 2.53 -0.26 4.70 -4.23 -1.11 -5.04 115.64 108.82 3mal s THR 91 Ca 0.04 -1.24 0.20 0.00 -1.18 0.00 0.00 61.69 59.50 3mal s THR 91 Cb 0.09 -2.77 0.21 0.00 1.34 0.00 0.00 72.50 71.37 3mal s THR 91 CO 0.47 0.00 1.56 0.71 -0.54 0.00 0.00 174.62 176.82 3mal h THR 92 N 0.79 0.43 -2.99 3.99 1.35 -1.94 -3.46 112.91 111.09 3mal h THR 92 Ca -0.39 -1.55 -0.53 0.00 -0.55 0.00 0.00 66.41 63.39 3mal h THR 92 Cb 1.28 2.17 0.07 0.00 -1.73 0.00 0.00 68.15 69.94 3mal h THR 92 CO 0.52 0.24 0.96 -1.61 -0.25 0.00 0.00 175.52 175.38 3mal s GLU 93 N -3.14 4.12 0.21 4.72 8.01 -1.26 -5.00 118.70 126.36 3mal s GLU 93 Ca 0.05 2.60 0.04 0.00 0.01 0.00 0.00 54.97 57.67 3mal s GLU 93 Cb 0.07 -3.05 -0.05 0.00 -4.31 0.00 0.00 34.13 26.79 3mal s GLU 93 CO 0.70 -0.70 -0.02 -1.59 0.01 0.00 0.00 175.26 173.65 3mal s LYS 94 N 0.35 1.26 0.21 1.61 -2.85 -1.26 -4.85 119.74 114.21 3mal s LYS 94 Ca 0.69 -1.62 -0.32 0.00 -1.00 0.00 0.00 55.97 53.72 3mal s LYS 94 Cb -0.49 -0.60 -0.14 0.00 -2.06 0.00 0.00 37.83 34.54 3mal s LYS 94 CO 0.40 -0.06 1.33 1.04 0.10 0.00 0.00 175.35 178.16 3mal n GLN 95 N -0.36 1.70 -0.00 1.78 6.02 -1.26 -1.07 117.38 124.19 3mal n GLN 95 Ca -0.06 0.61 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 3mal n GLN 95 Cb 0.63 -2.21 0.00 0.00 1.02 0.00 0.00 30.24 29.68 3mal n GLN 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mal n GLY 96 N 2.19 1.38 3.76 1.08 0.00 -0.16 -4.90 105.19 108.54 3mal n GLY 96 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3mal n GLY 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mal s ASP 97 N -2.92 7.48 0.33 1.61 1.01 -0.24 -1.15 116.67 122.80 3mal s ASP 97 Ca 0.00 1.76 -0.29 0.00 0.71 0.00 0.00 52.55 54.73 3mal s ASP 97 Cb 0.00 -2.55 -0.11 0.00 1.01 0.00 0.00 42.92 41.27 3mal s ASP 97 CO 0.00 0.16 1.51 0.00 0.21 0.00 0.00 175.17 177.05 3mal s ALA 98 N -1.00 3.64 -0.10 5.23 0.00 -1.26 -1.12 121.76 127.15 3mal s ALA 98 Ca 0.39 1.53 -0.29 0.00 0.00 0.00 0.00 51.96 53.59 3mal s ALA 98 Cb -0.24 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.26 3mal s ALA 98 CO 0.28 -0.97 0.97 0.08 0.00 0.00 0.00 175.76 176.12 3mal s VAL 99 N -0.61 4.81 0.20 0.00 1.01 -0.87 -4.86 120.40 120.09 3mal s VAL 99 Ca 0.57 1.97 -0.10 0.00 0.00 0.00 0.00 61.98 64.42 3mal s VAL 99 Cb -0.46 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 31.57 3mal s VAL 99 CO 0.55 0.03 0.53 -0.54 0.00 0.00 0.00 175.10 175.67 3mal s LYS 100 N 1.90 3.82 0.20 2.72 -0.14 -1.26 -0.48 119.74 126.50 3mal s LYS 100 Ca 0.47 0.29 -0.33 0.00 -1.36 0.00 0.00 55.97 55.05 3mal s LYS 100 Cb -0.18 -2.72 -0.14 0.00 -1.68 0.00 0.00 37.83 33.11 3mal s LYS 100 CO 0.18 0.36 1.47 0.45 -0.76 0.00 0.00 175.35 177.06 3mal n SER 101 N 0.09 2.84 0.00 2.83 2.88 -0.04 -1.54 113.62 120.67 3mal n SER 101 Ca -0.01 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 3mal n SER 101 Cb 0.52 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 3mal n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mal n GLY 102 N 2.70 1.49 3.76 0.46 0.00 0.17 -4.99 105.19 108.78 3mal n GLY 102 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3mal n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mal s ALA 103 N -2.34 3.01 -0.23 4.61 0.00 -0.59 -4.67 121.76 121.55 3mal s ALA 103 Ca 0.00 1.41 -0.21 0.00 0.00 0.00 0.00 51.96 53.17 3mal s ALA 103 Cb 0.00 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 3mal s ALA 103 CO 0.00 -1.32 0.64 0.99 0.00 0.00 0.00 175.76 176.07 3mal s THR 104 N -1.25 4.99 0.31 0.00 2.01 -1.26 -1.17 115.64 119.27 3mal s THR 104 Ca 0.67 1.18 0.06 0.00 0.31 0.00 0.00 61.69 63.91 3mal s THR 104 Cb -0.42 -3.95 -0.06 0.00 0.01 0.00 0.00 72.50 68.07 3mal s THR 104 CO 0.52 0.05 -0.01 0.27 -0.69 0.00 0.00 174.62 174.77 3mal s ILE 105 N 2.29 1.53 0.09 1.82 -4.36 0.67 -4.16 121.20 119.08 3mal s ILE 105 Ca 0.28 -2.06 0.08 0.00 -0.26 0.00 0.00 60.65 58.69 3mal s ILE 105 Cb -0.16 -2.64 -0.03 0.00 1.25 0.00 0.00 42.46 40.88 3mal s ILE 105 CO 0.09 -0.15 -0.22 -0.13 0.24 0.00 0.00 174.94 174.77 3mal s ARG 106 N -3.78 1.23 -0.22 0.37 0.52 0.47 -1.42 118.95 116.11 3mal s ARG 106 Ca 0.33 -1.12 0.02 0.00 -0.52 0.00 0.00 55.73 54.43 3mal s ARG 106 Cb 0.06 -1.48 0.04 0.00 0.52 0.00 0.00 34.95 34.10 3mal s ARG 106 CO 0.14 0.35 -0.14 -0.51 0.02 0.00 0.00 175.30 175.16 3mal s LEU 107 N -1.73 2.81 -0.21 2.53 1.43 -1.26 -0.92 118.68 121.33 3mal s LEU 107 Ca 0.07 -1.06 -0.09 0.00 -1.03 0.00 0.00 54.13 52.03 3mal s LEU 107 Cb -0.10 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 3mal s LEU 107 CO 0.04 -0.12 0.10 -1.58 0.23 0.00 0.00 176.35 175.02 3mal s GLN 108 N 1.21 3.98 0.05 1.70 0.74 -0.45 -1.08 119.66 125.80 3mal s GLN 108 Ca -0.03 -0.33 -0.31 0.00 0.05 0.00 0.00 55.36 54.75 3mal s GLN 108 Cb -0.17 -3.35 -0.08 0.00 1.10 0.00 0.00 33.01 30.52 3mal s GLN 108 CO -0.08 0.14 1.60 -1.58 -0.55 0.00 0.00 175.29 174.82 3mal s HIS 109 N 0.77 2.48 0.17 1.67 5.65 -0.12 0.14 115.29 126.04 3mal s HIS 109 Ca 0.05 0.41 -0.11 0.00 0.25 0.00 0.00 55.06 55.66 3mal s HIS 109 Cb -0.13 -3.90 0.06 0.00 -1.18 0.00 0.00 32.58 27.43 3mal s HIS 109 CO 0.02 -3.59 1.66 0.52 -0.65 0.00 0.00 174.74 172.71 3mal h MET 110 N 8.30 0.98 -0.04 2.88 0.00 -1.72 0.11 114.93 125.44 3mal h MET 110 Ca -0.41 -0.26 -0.22 0.00 0.00 0.00 0.00 59.70 58.80 3mal h MET 110 Cb 1.20 -0.11 0.00 0.00 0.00 0.00 0.00 31.60 32.68 3mal h MET 110 CO 0.93 0.93 -0.88 0.87 0.00 0.00 0.00 176.91 178.75 3mal h LYS 111 N 0.88 0.49 0.00 1.72 1.79 -1.84 -3.35 116.57 116.27 3mal h LYS 111 Ca 0.18 -0.48 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 3mal h LYS 111 Cb 0.42 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 3mal h LYS 111 CO 0.01 1.12 -0.81 0.25 -1.08 0.00 0.00 179.45 178.94 3mal n THR 112 N -3.80 0.00 -0.94 -0.16 -2.24 -1.22 -5.01 114.28 100.91 3mal n THR 112 Ca -0.07 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3mal n THR 112 Cb 0.80 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 3mal n THR 112 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3mal n ARG 113 N -1.44 -0.75 -2.67 -0.78 5.12 0.38 -4.97 116.66 111.56 3mal n ARG 113 Ca 0.01 0.19 -0.29 0.00 -1.93 0.00 0.00 57.85 55.83 3mal n ARG 113 Cb 0.22 -3.87 -0.01 0.00 -1.16 0.00 0.00 32.46 27.64 3mal n ARG 113 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3mal s LYS 114 N -0.87 3.62 -0.15 5.56 1.02 -1.26 -4.05 119.74 123.61 3mal s LYS 114 Ca 0.00 0.31 -0.09 0.00 0.02 0.00 0.00 55.97 56.21 3mal s LYS 114 Cb 0.00 -2.37 -0.05 0.00 -0.52 0.00 0.00 37.83 34.90 3mal s LYS 114 CO 0.00 -0.17 0.16 -1.58 -0.92 0.00 0.00 175.35 172.84 3mal s TRP 115 N -2.64 3.52 0.08 3.18 0.52 0.30 -0.95 118.94 122.94 3mal s TRP 115 Ca 0.49 0.48 -0.34 0.00 0.02 0.00 0.00 56.10 56.74 3mal s TRP 115 Cb -0.10 -2.08 -0.14 0.00 -1.15 0.00 0.00 33.47 30.00 3mal s TRP 115 CO 0.41 0.52 1.63 -0.11 0.02 0.00 0.00 176.95 179.42 3mal n LEU 116 N 2.72 2.99 -3.90 2.99 7.94 -0.24 -0.96 117.00 128.54 3mal n LEU 116 Ca -0.17 1.06 -0.11 0.00 -1.11 0.00 0.00 56.01 55.68 3mal n LEU 116 Cb 0.53 -1.38 -0.10 0.00 0.53 0.00 0.00 43.42 43.00 3mal n LEU 116 CO 0.34 -0.32 -0.24 -2.28 -1.11 0.00 0.00 177.39 173.79 3mal s HIS 117 N 1.73 0.10 0.27 1.96 5.65 0.57 -4.40 115.29 121.17 3mal s HIS 117 Ca 0.84 -0.24 -0.00 0.00 0.25 0.00 0.00 55.06 55.90 3mal s HIS 117 Cb -0.73 -0.09 -0.03 0.00 -1.18 0.00 0.00 32.58 30.56 3mal s HIS 117 CO 0.43 -0.24 0.27 0.45 -0.65 0.00 0.00 174.74 175.00 3mal s SER 118 N -1.33 0.69 0.00 9.88 0.15 -0.98 -0.71 113.70 121.40 3mal s SER 118 Ca -0.14 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.05 3mal s SER 118 Cb -0.08 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 3mal s SER 118 CO 0.01 -1.02 0.00 0.00 1.20 0.00 0.00 173.24 173.43 3mal n HIS 119 N -0.44 0.00 -1.98 3.44 1.44 -1.25 -4.79 115.22 111.64 3mal n HIS 119 Ca 0.03 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.35 3mal n HIS 119 Cb 0.64 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.74 3mal n HIS 119 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3mal n LEU 120 N 0.00 7.91 -4.48 2.39 4.77 -1.26 -4.21 117.00 122.11 3mal n LEU 120 Ca 0.00 -4.85 -0.28 0.00 -0.03 0.00 0.00 56.01 50.85 3mal n LEU 120 Cb 0.00 -1.34 -0.11 0.00 -2.33 0.00 0.00 43.42 39.64 3mal n LEU 120 CO 0.00 2.04 -0.49 -1.00 -1.33 0.00 0.00 177.39 176.61 3mal s HIS 121 N -1.35 2.47 0.03 -1.77 3.76 -1.26 -5.01 115.29 112.16 3mal s HIS 121 Ca 0.54 -0.29 -0.30 0.00 -0.15 0.00 0.00 55.06 54.85 3mal s HIS 121 Cb 0.20 -1.25 -0.05 0.00 1.11 0.00 0.00 32.58 32.59 3mal s HIS 121 CO -0.11 0.46 1.14 0.00 -0.85 0.00 0.00 174.74 175.38 3mal s ALA 122 N -1.48 3.34 0.65 -1.40 0.00 -1.26 -0.08 121.76 121.53 3mal s ALA 122 Ca 0.21 0.73 -0.16 0.00 0.00 0.00 0.00 51.96 52.73 3mal s ALA 122 Cb -0.09 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.60 3mal s ALA 122 CO 0.11 -0.42 1.16 -1.54 0.00 0.00 0.00 175.76 175.07 3mal s SER 123 N 1.10 4.90 0.48 0.00 1.04 0.13 -4.40 113.70 116.94 3mal s SER 123 Ca 0.56 2.21 0.27 0.00 0.48 0.00 0.00 55.95 59.48 3mal s SER 123 Cb -0.26 -2.58 0.94 0.00 0.10 0.00 0.00 66.02 64.22 3mal s SER 123 CO 0.28 -1.78 1.83 1.55 0.98 0.00 0.00 173.24 176.10 3mal h PRO 124 N 0.23 0.00 0.00 4.02 0.14 -1.92 -2.87 132.00 131.61 3mal h PRO 124 Ca -0.48 0.00 -0.28 0.00 0.14 0.00 0.00 66.00 65.38 3mal h PRO 124 Cb 1.27 0.00 -0.04 0.00 0.14 0.00 0.00 31.00 32.37 3mal h PRO 124 CO 0.53 0.11 -1.89 -0.89 0.14 0.00 0.00 178.00 176.00 3mal n ILE 125 N -3.20 1.22 0.95 -3.56 5.41 -1.26 -4.77 119.36 114.15 3mal n ILE 125 Ca 0.01 -0.19 0.11 0.00 1.00 0.00 0.00 62.75 63.68 3mal n ILE 125 Cb 0.42 -1.87 0.01 0.00 -0.71 0.00 0.00 39.64 37.48 3mal n ILE 125 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3mal n SER 126 N -4.01 2.07 -1.75 4.38 3.41 -1.26 -4.98 113.62 111.48 3mal n SER 126 Ca -0.35 -1.53 -0.15 0.00 -0.26 0.00 0.00 58.87 56.57 3mal n SER 126 Cb 0.71 0.43 -0.00 0.00 -0.26 0.00 0.00 64.21 65.08 3mal n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mal n GLY 127 N 1.36 -0.24 0.00 5.00 0.00 -1.08 -4.98 105.19 105.25 3mal n GLY 127 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3mal n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mal n ASN 128 N -0.90 0.00 -4.71 1.61 3.02 -1.26 -4.67 115.26 108.36 3mal n ASN 128 Ca -0.17 -0.46 -0.42 0.00 -0.03 0.00 0.00 54.58 53.50 3mal n ASN 128 Cb 0.63 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.77 3mal n ASN 128 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3mal s LEU 129 N 0.00 4.36 0.23 3.41 2.01 -0.52 0.18 118.68 128.34 3mal s LEU 129 Ca 0.00 2.15 -0.31 0.00 0.01 0.00 0.00 54.13 55.99 3mal s LEU 129 Cb 0.00 -3.58 -0.10 0.00 0.01 0.00 0.00 46.19 42.52 3mal s LEU 129 CO 0.00 -0.60 1.53 -0.70 1.01 0.00 0.00 176.35 177.59 3mal s GLU 130 N 1.39 4.21 -0.23 1.70 2.12 0.89 -1.12 118.70 127.65 3mal s GLU 130 Ca 0.62 2.39 -0.05 0.00 0.36 0.00 0.00 54.97 58.29 3mal s GLU 130 Cb -0.33 -3.11 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 3mal s GLU 130 CO 0.29 -0.54 -0.00 0.08 -0.54 0.00 0.00 175.26 174.55 3mal s VAL 131 N 0.44 3.73 0.44 3.70 1.01 -1.26 -3.91 120.40 124.55 3mal s VAL 131 Ca 0.64 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.28 3mal s VAL 131 Cb -0.44 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 3mal s VAL 131 CO 0.40 0.39 0.09 -0.94 0.00 0.00 0.00 175.10 175.04 3mal s SER 132 N 1.50 3.23 -0.18 3.32 1.04 0.12 -4.00 113.70 118.73 3mal s SER 132 Ca 0.06 -1.68 -0.03 0.00 0.48 0.00 0.00 55.95 54.78 3mal s SER 132 Cb -0.15 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 3mal s SER 132 CO -0.01 -0.91 -0.05 0.00 0.98 0.00 0.00 173.24 173.25 3mal s PHE 134 N 0.80 2.02 0.00 0.00 2.19 -0.13 -3.14 117.98 119.72 3mal s PHE 134 Ca -0.02 -0.40 0.00 0.00 0.33 0.00 0.00 56.93 56.85 3mal s PHE 134 Cb -0.15 -1.12 0.00 0.00 -1.31 0.00 0.00 43.02 40.44 3mal s PHE 134 CO 0.02 0.24 0.00 0.41 1.83 0.00 0.00 175.22 177.71 3mal n GLY 135 N 1.16 0.88 0.00 13.12 0.00 -1.26 -0.54 105.19 118.55 3mal n GLY 135 Ca -0.18 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3mal n GLY 135 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mal n ASP 136 N -0.94 0.00 0.08 1.61 5.68 -0.66 -4.47 116.55 117.84 3mal n ASP 136 Ca 0.00 -0.25 0.08 0.00 -0.50 0.00 0.00 54.79 54.12 3mal n ASP 136 Cb 0.00 0.00 0.38 0.00 -1.14 0.00 0.00 41.12 40.36 3mal n ASP 136 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3mal n ASP 137 N -0.09 0.35 -0.53 -1.12 9.92 -1.26 -1.94 116.55 121.89 3mal n ASP 137 Ca 0.00 0.61 0.07 0.00 -0.53 0.00 0.00 54.79 54.94 3mal n ASP 137 Cb 0.00 -0.68 0.05 0.00 -0.64 0.00 0.00 41.12 39.85 3mal n ASP 137 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3mal n THR 138 N -1.92 0.00 -3.49 -3.53 -2.24 -1.26 -4.91 114.28 96.93 3mal n THR 138 Ca 0.02 -0.46 -0.22 0.00 -2.27 0.00 0.00 64.05 61.11 3mal n THR 138 Cb 0.14 1.27 -0.13 0.00 -2.10 0.00 0.00 70.33 69.52 3mal n THR 138 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3mal s ASN 139 N -1.36 2.32 0.02 3.42 2.47 -0.82 -5.11 114.94 115.87 3mal s ASN 139 Ca 0.16 -0.81 0.01 0.00 0.42 0.00 0.00 52.86 52.63 3mal s ASN 139 Cb 0.12 0.12 -0.01 0.00 -1.45 0.00 0.00 41.25 40.02 3mal s ASN 139 CO 0.23 -0.39 -0.04 -0.55 -3.72 0.00 0.00 177.10 172.63 3mal s SER 140 N 2.24 0.39 0.35 -4.21 0.15 -1.26 -1.66 113.70 109.70 3mal s SER 140 Ca 0.08 -0.35 0.06 0.00 0.70 0.00 0.00 55.95 56.45 3mal s SER 140 Cb -0.15 0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.17 3mal s SER 140 CO -0.28 -0.16 0.23 -0.90 1.20 0.00 0.00 173.24 173.33 3mal n ASP 141 N 2.08 -0.01 0.32 5.45 5.68 -1.26 -5.04 116.55 123.77 3mal n ASP 141 Ca -0.20 -3.11 0.21 0.00 -0.50 0.00 0.00 54.79 51.20 3mal n ASP 141 Cb 0.56 1.40 1.13 0.00 -1.14 0.00 0.00 41.12 43.07 3mal n ASP 141 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3mal h THR 142 N 1.90 0.00 0.00 2.12 1.35 -2.01 -0.63 112.91 115.64 3mal h THR 142 Ca -0.25 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 3mal h THR 142 Cb 1.16 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 3mal h THR 142 CO 0.39 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 3mal n GLY 143 N -1.11 -0.96 0.43 5.82 0.00 -1.26 -1.34 105.19 106.76 3mal n GLY 143 Ca -0.03 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.08 3mal n GLY 143 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mal n ASP 144 N -1.58 1.29 -4.73 1.61 8.00 -0.24 -2.32 116.55 118.58 3mal n ASP 144 Ca 0.03 -1.58 -0.36 0.00 0.71 0.00 0.00 54.79 53.58 3mal n ASP 144 Cb 0.15 -0.06 -0.07 0.00 -0.02 0.00 0.00 41.12 41.12 3mal n ASP 144 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3mal s HIS 145 N -1.88 3.46 -0.02 1.24 3.76 -0.45 -4.44 115.29 116.97 3mal s HIS 145 Ca 0.34 0.57 0.03 0.00 -0.15 0.00 0.00 55.06 55.85 3mal s HIS 145 Cb 0.18 -2.32 -0.01 0.00 1.11 0.00 0.00 32.58 31.55 3mal s HIS 145 CO 0.28 0.25 -0.12 -1.58 -0.85 0.00 0.00 174.74 172.72 3mal s TRP 146 N 0.43 1.09 -0.18 1.40 0.52 -0.50 -1.65 118.94 120.05 3mal s TRP 146 Ca 0.16 -0.24 -0.17 0.00 0.02 0.00 0.00 56.10 55.87 3mal s TRP 146 Cb -0.13 -0.73 -0.04 0.00 -1.15 0.00 0.00 33.47 31.43 3mal s TRP 146 CO 0.03 -0.05 0.45 0.21 0.02 0.00 0.00 176.95 177.61 3mal s LYS 147 N -0.11 4.22 -0.06 4.98 2.20 0.14 -0.23 119.74 130.87 3mal s LYS 147 Ca 0.02 0.32 -0.29 0.00 -0.36 0.00 0.00 55.97 55.66 3mal s LYS 147 Cb -0.06 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 3mal s LYS 147 CO 0.00 -0.02 0.97 -1.17 -0.36 0.00 0.00 175.35 174.77 3mal s LEU 148 N 1.22 4.30 -0.25 5.43 2.96 -0.32 -1.00 118.68 131.02 3mal s LEU 148 Ca 0.22 1.54 0.01 0.00 -0.22 0.00 0.00 54.13 55.69 3mal s LEU 148 Cb -0.15 -3.51 0.06 0.00 0.50 0.00 0.00 46.19 43.09 3mal s LEU 148 CO 0.09 -0.35 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.07 3mal s ILE 149 N 1.54 1.73 -0.09 6.68 1.01 -0.48 0.45 121.20 132.05 3mal s ILE 149 Ca 0.49 -1.38 -0.25 0.00 0.00 0.00 0.00 60.65 59.51 3mal s ILE 149 Cb -0.19 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 3mal s ILE 149 CO 0.22 -0.10 0.77 -0.63 0.00 0.00 0.00 174.94 175.19 3mal s ILE 150 N 1.29 4.98 0.10 2.92 1.01 -1.26 -0.89 121.20 129.36 3mal s ILE 150 Ca -0.06 1.56 -0.17 0.00 0.00 0.00 0.00 60.65 61.98 3mal s ILE 150 Cb -0.19 -4.10 -0.06 0.00 0.01 0.00 0.00 42.46 38.12 3mal s ILE 150 CO -0.06 0.18 1.55 -0.33 0.00 0.00 0.00 174.94 176.27 3mal h GLU 151 N 6.94 0.53 0.00 2.79 4.39 -1.65 -3.44 114.58 124.14 3mal h GLU 151 Ca -0.38 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.16 3mal h GLU 151 Cb 1.18 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3mal h GLU 151 CO 0.77 0.66 0.00 0.41 -1.16 0.00 0.00 179.01 179.69 3mal n GLY 152 N -0.37 -1.39 0.34 -3.84 0.00 -1.26 -4.94 105.19 93.73 3mal n GLY 152 Ca -0.02 -1.54 0.09 0.00 0.00 0.00 0.00 46.02 44.55 3mal n GLY 152 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mal n SER 153 N -0.61 1.03 -4.67 1.61 3.41 -1.26 -4.91 113.62 108.22 3mal n SER 153 Ca 0.00 -1.63 -0.44 0.00 -0.26 0.00 0.00 58.87 56.54 3mal n SER 153 Cb 0.00 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 63.86 3mal n SER 153 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mal n GLY 154 N 0.98 0.66 0.03 5.00 0.00 -1.26 -4.94 105.19 105.66 3mal n GLY 154 Ca 0.15 0.43 0.04 0.00 0.00 0.00 0.00 46.02 46.64 3mal n GLY 154 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mal n LYS 155 N 1.50 0.77 -4.76 1.61 5.02 -1.26 -4.74 118.16 116.30 3mal n LYS 155 Ca 0.09 -0.11 -0.30 0.00 -2.02 0.00 0.00 58.31 55.97 3mal n LYS 155 Cb 0.33 -1.40 -0.14 0.00 -0.02 0.00 0.00 35.03 33.80 3mal n LYS 155 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3mal s THR 156 N -2.95 2.44 0.12 -0.18 -4.23 -1.26 -0.86 115.64 108.71 3mal s THR 156 Ca -0.07 -1.33 -0.31 0.00 -1.18 0.00 0.00 61.69 58.81 3mal s THR 156 Cb 0.09 -1.99 -0.08 0.00 1.34 0.00 0.00 72.50 71.86 3mal s THR 156 CO 0.69 0.33 1.35 0.86 -0.54 0.00 0.00 174.62 177.31 3mal s TRP 157 N -0.88 3.28 0.13 3.99 -0.00 0.37 -4.89 118.94 120.94 3mal s TRP 157 Ca 0.13 1.05 0.05 0.00 -0.00 0.00 0.00 56.10 57.34 3mal s TRP 157 Cb -0.10 -3.63 -0.04 0.00 -0.00 0.00 0.00 33.47 29.70 3mal s TRP 157 CO 0.04 -2.12 -0.12 0.15 -0.00 0.00 0.00 176.95 174.90 3mal s LYS 158 N 0.87 1.02 0.39 5.86 1.02 -1.26 -0.42 119.74 127.22 3mal s LYS 158 Ca 0.62 -1.32 -0.27 0.00 0.02 0.00 0.00 55.97 55.01 3mal s LYS 158 Cb -0.36 -0.74 -0.10 0.00 -0.52 0.00 0.00 37.83 36.11 3mal s LYS 158 CO 0.31 0.12 1.47 -1.14 -0.92 0.00 0.00 175.35 175.19 3mal s GLN 159 N -3.16 4.02 0.00 1.68 0.74 -0.25 -2.61 119.66 120.08 3mal s GLN 159 Ca 0.12 2.53 0.00 0.00 0.05 0.00 0.00 55.36 58.06 3mal s GLN 159 Cb -0.01 -2.90 0.00 0.00 1.10 0.00 0.00 33.01 31.20 3mal s GLN 159 CO 0.02 -0.59 0.00 -0.25 -0.55 0.00 0.00 175.29 173.92 3mal n ASP 160 N 0.32 -0.77 -4.87 6.67 9.92 0.28 -4.97 116.55 123.13 3mal n ASP 160 Ca 0.02 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.97 3mal n ASP 160 Cb 0.40 -1.56 -0.04 0.00 -0.64 0.00 0.00 41.12 39.28 3mal n ASP 160 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3mal s GLN 161 N -0.67 3.83 -0.05 -1.24 -2.07 -1.07 -4.93 119.66 113.46 3mal s GLN 161 Ca 0.00 0.46 -0.30 0.00 -1.82 0.00 0.00 55.36 53.70 3mal s GLN 161 Cb 0.00 -2.46 -0.02 0.00 -1.09 0.00 0.00 33.01 29.44 3mal s GLN 161 CO 0.00 0.08 1.00 1.03 -1.32 0.00 0.00 175.29 176.09 3mal s ARG 162 N -3.45 4.48 0.12 9.60 0.52 -1.26 -4.37 118.95 124.59 3mal s ARG 162 Ca 0.51 1.42 -0.01 0.00 -0.52 0.00 0.00 55.73 57.13 3mal s ARG 162 Cb -0.10 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 31.82 3mal s ARG 162 CO 0.26 -0.20 0.03 0.14 0.02 0.00 0.00 175.30 175.55 3mal s VAL 163 N 1.55 0.20 0.19 3.52 -7.23 -0.08 -1.57 120.40 116.98 3mal s VAL 163 Ca 0.50 -1.90 0.09 0.00 -1.81 0.00 0.00 61.98 58.86 3mal s VAL 163 Cb -0.20 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 3mal s VAL 163 CO 0.23 -0.57 -0.18 -0.13 -0.31 0.00 0.00 175.10 174.13 3mal s ARG 164 N -4.01 1.36 -0.18 4.82 0.52 -0.07 -0.43 118.95 120.96 3mal s ARG 164 Ca 0.21 -1.50 0.01 0.00 -0.52 0.00 0.00 55.73 53.93 3mal s ARG 164 Cb 0.07 -1.39 0.03 0.00 0.52 0.00 0.00 34.95 34.18 3mal s ARG 164 CO -0.00 0.27 -0.15 -0.51 0.02 0.00 0.00 175.30 174.93 3mal s LEU 165 N -2.89 2.16 -0.25 2.53 1.43 -1.26 -1.38 118.68 119.03 3mal s LEU 165 Ca 0.19 -0.72 -0.08 0.00 -1.03 0.00 0.00 54.13 52.49 3mal s LEU 165 Cb -0.05 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 3mal s LEU 165 CO 0.08 -0.06 0.08 -1.58 0.23 0.00 0.00 176.35 175.10 3mal s GLN 166 N 1.35 3.71 0.03 1.70 0.74 -0.17 -0.93 119.66 126.08 3mal s GLN 166 Ca 0.02 -0.45 -0.30 0.00 0.05 0.00 0.00 55.36 54.68 3mal s GLN 166 Cb -0.14 -3.34 -0.07 0.00 1.10 0.00 0.00 33.01 30.55 3mal s GLN 166 CO -0.11 -0.15 1.69 -1.58 -0.55 0.00 0.00 175.29 174.60 3mal s HIS 167 N 1.52 2.15 0.12 1.67 5.65 0.14 0.27 115.29 126.82 3mal s HIS 167 Ca 0.06 0.19 -0.22 0.00 0.25 0.00 0.00 55.06 55.33 3mal s HIS 167 Cb -0.15 -3.98 -0.06 0.00 -1.18 0.00 0.00 32.58 27.20 3mal s HIS 167 CO 0.04 -4.07 1.69 0.82 -0.65 0.00 0.00 174.74 172.58 3mal h ILE 168 N 5.14 0.73 -0.09 0.89 1.08 -1.64 0.10 117.51 123.73 3mal h ILE 168 Ca -0.42 0.00 -0.16 0.00 -0.39 0.00 0.00 64.86 63.89 3mal h ILE 168 Cb 1.20 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.67 3mal h ILE 168 CO 0.94 0.00 -0.63 0.44 -0.69 0.00 0.00 178.15 178.20 3mal h ASP 169 N -0.14 0.37 0.00 1.72 3.32 -1.82 -3.27 116.42 116.60 3mal h ASP 169 Ca 0.06 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3mal h ASP 169 Cb 0.22 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3mal h ASP 169 CO -0.15 0.91 -1.09 0.35 -1.72 0.00 0.00 179.24 177.54 3mal n THR 170 N -3.87 0.00 -1.11 0.35 -2.24 -1.24 -5.00 114.28 101.18 3mal n THR 170 Ca -0.03 -0.23 -0.04 0.00 -2.27 0.00 0.00 64.05 61.48 3mal n THR 170 Cb 0.64 0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 69.52 3mal n THR 170 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3mal n SER 171 N -1.62 -5.09 -4.73 3.42 7.64 0.35 -5.01 113.62 108.58 3mal n SER 171 Ca 0.01 0.09 -0.41 0.00 1.01 0.00 0.00 58.87 59.56 3mal n SER 171 Cb 0.30 -2.92 -0.03 0.00 -1.01 0.00 0.00 64.21 60.54 3mal n SER 171 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3mal s GLY 172 N -2.21 2.54 0.04 0.23 0.00 -1.24 -4.68 107.32 101.99 3mal s GLY 172 Ca 0.00 0.94 -0.28 0.00 0.00 0.00 0.00 44.72 45.39 3mal s GLY 172 CO 0.00 1.95 0.87 -0.19 0.00 0.00 0.00 173.10 175.73 3mal s TYR 173 N 0.35 3.72 0.10 1.90 2.02 0.36 0.29 117.35 126.08 3mal s TYR 173 Ca 0.55 1.60 -0.35 0.00 -0.37 0.00 0.00 57.07 58.51 3mal s TYR 173 Cb -0.32 -2.96 -0.14 0.00 -0.40 0.00 0.00 41.96 38.13 3mal s TYR 173 CO 0.34 0.16 1.56 -0.11 -1.57 0.00 0.00 175.55 175.94 3mal n LEU 174 N 3.18 2.78 -3.90 -1.29 7.94 -0.11 -2.23 117.00 123.38 3mal n LEU 174 Ca 0.01 1.08 -0.11 0.00 -1.11 0.00 0.00 56.01 55.88 3mal n LEU 174 Cb 0.50 -1.36 -0.13 0.00 0.53 0.00 0.00 43.42 42.97 3mal n LEU 174 CO 0.49 -0.44 -0.33 -2.28 -1.11 0.00 0.00 177.39 173.72 3mal s HIS 175 N 1.25 0.06 0.32 1.96 5.65 0.80 -4.56 115.29 120.77 3mal s HIS 175 Ca 0.82 -0.12 0.07 0.00 0.25 0.00 0.00 55.06 56.09 3mal s HIS 175 Cb -0.76 -0.05 -0.03 0.00 -1.18 0.00 0.00 32.58 30.57 3mal s HIS 175 CO 0.42 -0.08 0.27 0.45 -0.65 0.00 0.00 174.74 175.15 3mal n SER 176 N 2.56 -0.61 -3.61 9.88 2.88 -1.01 -1.22 113.62 122.50 3mal n SER 176 Ca -0.16 -3.13 0.01 0.00 -1.33 0.00 0.00 58.87 54.27 3mal n SER 176 Cb 0.58 1.60 -0.01 0.00 -0.75 0.00 0.00 64.21 65.64 3mal n SER 176 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 3mal s HIS 177 N -3.30 -0.04 -1.50 0.66 -3.43 -1.26 -4.73 115.29 101.69 3mal s HIS 177 Ca 0.38 -0.04 -0.10 0.00 -0.80 0.00 0.00 55.06 54.50 3mal s HIS 177 Cb 0.02 0.54 -0.07 0.00 -1.43 0.00 0.00 32.58 31.64 3mal s HIS 177 CO 0.27 -0.22 2.75 -3.47 -2.00 0.00 0.00 174.74 172.06 3mal n ASP 178 N -0.45 7.55 -3.91 7.38 2.03 -1.26 -4.53 116.55 123.35 3mal n ASP 178 Ca -0.08 -2.58 -0.29 0.00 0.52 0.00 0.00 54.79 52.37 3mal n ASP 178 Cb 0.63 -1.51 -0.16 0.00 -0.72 0.00 0.00 41.12 39.36 3mal n ASP 178 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3mal s LYS 179 N 2.51 1.54 0.07 -0.67 1.02 -1.26 -5.09 119.74 117.86 3mal s LYS 179 Ca 0.63 -0.63 0.10 0.00 0.02 0.00 0.00 55.97 56.08 3mal s LYS 179 Cb 0.16 -2.16 -0.03 0.00 -0.52 0.00 0.00 37.83 35.28 3mal s LYS 179 CO -0.06 -0.46 -0.26 0.15 -0.92 0.00 0.00 175.35 173.81 3mal s LYS 180 N 1.57 1.71 0.76 1.68 1.02 -1.26 -0.77 119.74 124.44 3mal s LYS 180 Ca -0.01 -1.17 -0.12 0.00 0.02 0.00 0.00 55.97 54.69 3mal s LYS 180 Cb -0.16 -1.98 0.05 0.00 -0.52 0.00 0.00 37.83 35.22 3mal s LYS 180 CO -0.08 0.50 1.11 0.71 -0.92 0.00 0.00 175.35 176.67 3mal s TYR 181 N -0.90 2.47 0.04 3.18 1.51 -0.34 -4.87 117.35 118.42 3mal s TYR 181 Ca 0.13 1.58 0.00 0.00 -1.01 0.00 0.00 57.07 57.77 3mal s TYR 181 Cb -0.10 -3.13 0.00 0.00 -0.11 0.00 0.00 41.96 38.62 3mal s TYR 181 CO 0.04 -1.91 0.00 1.04 -1.11 0.00 0.00 175.55 173.61 3mal n GLN 182 N -3.28 0.00 -0.04 -0.62 3.00 -1.26 -1.49 117.38 113.69 3mal n GLN 182 Ca 0.10 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.09 3mal n GLN 182 Cb 0.52 -0.49 -0.00 0.00 0.00 0.00 0.00 30.24 30.27 3mal n GLN 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3mal h ARG 183 N 0.00 0.00 -5.34 -1.09 3.08 -1.95 -3.30 114.38 105.78 3mal h ARG 183 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 3mal h ARG 183 Cb 0.59 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.48 3mal h ARG 183 CO 0.00 0.00 -0.56 0.42 -1.07 0.00 0.00 179.97 178.76 3mal s ILE 184 N -1.48 4.83 -1.43 2.04 -1.09 -1.26 -4.29 121.20 118.53 3mal s ILE 184 Ca -0.00 -0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.40 3mal s ILE 184 Cb 0.00 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 3mal s ILE 184 CO 0.00 0.48 0.00 0.00 -1.23 0.00 0.00 174.94 174.19 3mal n ALA 185 N 3.37 -0.43 -1.70 9.38 0.00 -1.26 -4.90 120.51 124.97 3mal n ALA 185 Ca -0.17 0.15 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 3mal n ALA 185 Cb 0.52 -1.77 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 3mal n ALA 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mal n GLY 186 N -1.02 0.77 1.60 0.00 0.00 -1.24 -1.89 105.19 103.41 3mal n GLY 186 Ca -0.18 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3mal n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mal n GLY 187 N 1.38 2.37 3.82 -0.02 0.00 -0.56 -4.92 105.19 107.26 3mal n GLY 187 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3mal n GLY 187 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mal s GLN 188 N -0.55 4.22 0.18 1.61 -0.21 -0.79 -4.82 119.66 119.30 3mal s GLN 188 Ca 0.00 0.95 -0.09 0.00 0.02 0.00 0.00 55.36 56.24 3mal s GLN 188 Cb 0.00 -2.54 -0.07 0.00 1.00 0.00 0.00 33.01 31.40 3mal s GLN 188 CO 0.00 0.19 0.48 -0.65 -2.12 0.00 0.00 175.29 173.19 3mal s GLN 189 N -2.62 3.76 0.32 2.91 -0.21 -0.28 -1.20 119.66 122.34 3mal s GLN 189 Ca 0.53 0.17 -0.29 0.00 0.02 0.00 0.00 55.36 55.78 3mal s GLN 189 Cb -0.13 -2.77 -0.12 0.00 1.00 0.00 0.00 33.01 30.99 3mal s GLN 189 CO 0.18 0.41 1.52 -1.91 -2.12 0.00 0.00 175.29 173.37 3mal n GLU 190 N 0.14 2.60 -4.89 2.91 2.13 0.05 -0.63 120.64 122.93 3mal n GLU 190 Ca -0.02 0.92 -0.33 0.00 0.66 0.00 0.00 57.16 58.39 3mal n GLU 190 Cb 0.52 -2.66 -0.14 0.00 0.27 0.00 0.00 31.44 29.44 3mal n GLU 190 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3mal s VAL 191 N -0.49 2.96 0.30 6.31 1.01 -1.26 -4.07 120.40 125.16 3mal s VAL 191 Ca 0.60 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 3mal s VAL 191 Cb -0.51 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 33.72 3mal s VAL 191 CO 0.55 0.57 0.48 0.00 0.00 0.00 0.00 175.10 176.70 3mal s GLY 193 N -2.77 1.38 0.23 0.00 0.00 -0.28 -0.14 107.32 105.73 3mal s GLY 193 Ca 0.21 -1.00 0.05 0.00 0.00 0.00 0.00 44.72 43.98 3mal s GLY 193 CO 0.15 -0.54 -0.05 -0.26 0.00 0.00 0.00 173.10 172.40 3mal s ILE 194 N -0.08 1.31 -0.61 0.90 -4.36 -0.95 -1.44 121.20 115.98 3mal s ILE 194 Ca -0.05 -2.08 0.23 0.00 -0.26 0.00 0.00 60.65 58.49 3mal s ILE 194 Cb -0.14 -2.27 -0.03 0.00 1.25 0.00 0.00 42.46 41.27 3mal s ILE 194 CO 0.04 -0.41 1.17 0.54 0.24 0.00 0.00 174.94 176.52 3mal n ARG 195 N -0.43 0.30 -4.24 0.37 5.12 -1.26 -0.49 116.66 116.03 3mal n ARG 195 Ca -0.06 0.04 -0.32 0.00 -1.93 0.00 0.00 57.85 55.58 3mal n ARG 195 Cb 0.63 -1.64 -0.08 0.00 -1.16 0.00 0.00 32.46 30.20 3mal n ARG 195 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3mal s GLU 196 N -3.19 2.78 0.05 5.56 8.01 -1.26 -4.85 118.70 125.80 3mal s GLU 196 Ca 0.05 -0.63 -0.31 0.00 0.01 0.00 0.00 54.97 54.09 3mal s GLU 196 Cb 0.14 -2.67 -0.07 0.00 -4.31 0.00 0.00 34.13 27.21 3mal s GLU 196 CO 0.76 0.61 1.53 0.15 0.01 0.00 0.00 175.26 178.33 3mal s LYS 197 N -1.70 4.24 0.20 1.61 1.02 -1.26 -4.91 119.74 118.93 3mal s LYS 197 Ca 0.21 2.18 -0.04 0.00 0.02 0.00 0.00 55.97 58.34 3mal s LYS 197 Cb -0.12 -3.53 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 3mal s LYS 197 CO 0.12 -0.64 0.21 0.15 -0.92 0.00 0.00 175.35 174.27 3mal s LYS 198 N 2.31 1.24 0.35 1.68 1.02 -1.26 -5.04 119.74 120.05 3mal s LYS 198 Ca 0.69 -1.48 0.07 0.00 0.02 0.00 0.00 55.97 55.27 3mal s LYS 198 Cb -0.37 0.32 0.77 0.00 -0.52 0.00 0.00 37.83 38.03 3mal s LYS 198 CO 0.30 -0.43 1.91 0.00 -0.92 0.00 0.00 175.35 176.21 3mal h ALA 199 N 2.56 1.76 0.00 5.17 0.00 -1.99 -1.68 119.26 125.09 3mal h ALA 199 Ca -0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3mal h ALA 199 Cb 1.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3mal h ALA 199 CO 0.50 0.05 0.00 -0.25 0.00 0.00 0.00 179.25 179.55 3mal n ASP 200 N -4.52 0.00 -0.36 0.00 8.00 -1.26 -2.80 116.55 115.61 3mal n ASP 200 Ca 0.14 -1.60 0.08 0.00 0.71 0.00 0.00 54.79 54.12 3mal n ASP 200 Cb 0.36 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.63 3mal n ASP 200 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3mal n ASN 201 N -0.67 2.22 -4.75 -2.24 0.23 -0.63 -2.39 115.26 107.03 3mal n ASN 201 Ca 0.08 -3.41 -0.38 0.00 -0.53 0.00 0.00 54.58 50.34 3mal n ASN 201 Cb 0.04 -0.48 -0.06 0.00 -2.08 0.00 0.00 39.78 37.20 3mal n ASN 201 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3mal s ILE 202 N -3.02 5.10 0.22 1.53 -1.09 -1.12 -4.55 121.20 118.27 3mal s ILE 202 Ca 0.35 0.99 0.06 0.00 -2.23 0.00 0.00 60.65 59.82 3mal s ILE 202 Cb 0.32 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 37.33 3mal s ILE 202 CO -0.00 0.39 -0.07 0.26 -1.23 0.00 0.00 174.94 174.29 3mal s TRP 203 N 0.15 1.66 -0.04 3.97 0.52 0.43 -1.32 118.94 124.30 3mal s TRP 203 Ca 0.27 -0.75 0.00 0.00 0.02 0.00 0.00 56.10 55.64 3mal s TRP 203 Cb -0.16 -0.90 0.02 0.00 -1.15 0.00 0.00 33.47 31.29 3mal s TRP 203 CO 0.12 0.17 -0.02 -0.51 0.02 0.00 0.00 176.95 176.73 3mal s LEU 204 N -3.33 1.14 0.16 2.99 1.43 0.36 -0.90 118.68 120.53 3mal s LEU 204 Ca 0.25 -0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 52.97 3mal s LEU 204 Cb 0.03 -0.35 -0.07 0.00 0.03 0.00 0.00 46.19 45.82 3mal s LEU 204 CO 0.08 -0.10 1.17 0.00 0.23 0.00 0.00 176.35 177.74 3mal s ALA 205 N 1.13 3.41 0.24 4.21 0.00 -1.26 -0.16 121.76 129.32 3mal s ALA 205 Ca -0.08 0.89 -0.04 0.00 0.00 0.00 0.00 51.96 52.73 3mal s ALA 205 Cb -0.14 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 3mal s ALA 205 CO -0.01 -0.34 0.28 0.00 0.00 0.00 0.00 175.76 175.68 3mal s ALA 206 N 0.13 0.76 -1.09 0.00 0.00 -0.11 -0.55 121.76 120.88 3mal s ALA 206 Ca 0.53 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3mal s ALA 206 Cb -0.31 1.28 0.00 0.00 0.00 0.00 0.00 23.12 24.09 3mal s ALA 206 CO 0.35 -0.70 0.00 0.39 0.00 0.00 0.00 175.76 175.80 3mal n GLU 207 N -0.36 -2.18 -2.55 0.00 1.02 -1.26 -1.60 120.64 113.70 3mal n GLU 207 Ca 0.01 0.62 -0.22 0.00 -0.02 0.00 0.00 57.16 57.55 3mal n GLU 207 Cb 0.64 -5.22 0.04 0.00 -0.02 0.00 0.00 31.44 26.89 3mal n GLU 207 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3mal s GLY 208 N -2.03 1.80 -0.24 0.62 0.00 -1.26 -4.47 107.32 101.74 3mal s GLY 208 Ca 0.00 -1.25 0.02 0.00 0.00 0.00 0.00 44.72 43.49 3mal s GLY 208 CO 0.00 -0.94 -0.13 0.14 0.00 0.00 0.00 173.10 172.17 3mal s VAL 209 N -2.86 2.20 -0.23 1.40 1.01 0.14 -4.98 120.40 117.08 3mal s VAL 209 Ca 0.58 -1.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 3mal s VAL 209 Cb -0.10 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3mal s VAL 209 CO 0.40 0.15 0.08 -0.31 0.00 0.00 0.00 175.10 175.41 3mal s TYR 210 N 1.17 3.15 0.53 5.22 1.51 -1.26 -1.41 117.35 126.26 3mal s TYR 210 Ca -0.04 -0.20 -0.21 0.00 -1.01 0.00 0.00 57.07 55.60 3mal s TYR 210 Cb -0.18 -2.21 -0.05 0.00 -0.11 0.00 0.00 41.96 39.41 3mal s TYR 210 CO -0.07 -0.18 1.23 -0.51 -1.11 0.00 0.00 175.55 174.91 3mal s LEU 211 N 1.26 3.85 0.46 -1.29 1.43 -1.26 -4.93 118.68 118.20 3mal s LEU 211 Ca 0.05 2.46 -0.23 0.00 -1.03 0.00 0.00 54.13 55.38 3mal s LEU 211 Cb -0.15 -4.37 -0.09 0.00 0.03 0.00 0.00 46.19 41.61 3mal s LEU 211 CO 0.04 -1.32 1.04 -2.65 0.23 0.00 0.00 176.35 173.69 3mal n PRO 212 N -1.00 1.34 -2.26 1.29 -0.02 -1.26 -4.61 135.00 128.49 3mal n PRO 212 Ca 0.10 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 3mal n PRO 212 Cb 0.48 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 3mal n PRO 212 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mal s LEU 213 N -0.99 4.31 0.48 2.45 1.43 -1.26 -4.43 118.68 120.66 3mal s LEU 213 Ca 0.65 2.06 0.25 0.00 -1.03 0.00 0.00 54.13 56.06 3mal s LEU 213 Cb -0.52 -3.56 1.34 0.00 0.03 0.00 0.00 46.19 43.48 3mal s LEU 213 CO 0.55 -0.70 1.72 0.78 0.23 0.00 0.00 176.35 178.93 3mal h ASN 214 N 7.79 0.00 0.00 2.29 2.35 -1.48 -3.50 115.58 123.03 3mal h ASN 214 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 3mal h ASN 214 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.54 3mal h ASN 214 CO 0.90 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 176.06