#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1amm s LYS 2 N 0.00 0.11 0.02 1.61 2.20 -0.05 -4.32 119.74 119.31 1amm s LYS 2 Ca 0.00 0.61 0.02 0.00 -0.36 0.00 0.00 55.97 56.24 1amm s LYS 2 Cb 0.00 -0.14 -0.01 0.00 -1.51 0.00 0.00 37.83 36.16 1amm s LYS 2 CO 0.00 -0.26 -0.07 -1.50 -0.36 0.00 0.00 175.35 173.16 1amm s ILE 3 N 2.02 0.53 -0.10 5.43 2.07 -0.46 -0.54 121.20 130.14 1amm s ILE 3 Ca -0.01 -0.62 0.01 0.00 -1.41 0.00 0.00 60.65 58.62 1amm s ILE 3 Cb -0.12 -0.51 0.02 0.00 0.13 0.00 0.00 42.46 41.98 1amm s ILE 3 CO -0.07 -0.08 -0.13 -0.89 -1.91 0.00 0.00 174.94 171.86 1amm s THR 4 N -0.66 1.36 -0.16 4.00 2.01 -0.22 -0.30 115.64 121.67 1amm s THR 4 Ca -0.03 -0.55 -0.08 0.00 0.31 0.00 0.00 61.69 61.34 1amm s THR 4 Cb -0.06 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 1amm s THR 4 CO 0.00 0.41 0.13 -0.36 -0.69 0.00 0.00 174.62 174.11 1amm s PHE 5 N 1.08 3.48 0.03 4.92 0.08 -0.22 -1.32 117.98 126.03 1amm s PHE 5 Ca -0.05 0.40 0.08 0.00 0.12 0.00 0.00 56.93 57.47 1amm s PHE 5 Cb -0.15 -2.05 -0.02 0.00 -0.57 0.00 0.00 43.02 40.23 1amm s PHE 5 CO -0.02 0.48 -0.23 0.71 -0.10 0.00 0.00 175.22 176.06 1amm s TYR 6 N -0.27 2.00 0.23 0.36 1.51 0.14 -1.19 117.35 120.13 1amm s TYR 6 Ca 0.11 -0.38 0.09 0.00 -1.01 0.00 0.00 57.07 55.88 1amm s TYR 6 Cb -0.12 -1.22 0.20 0.00 -0.11 0.00 0.00 41.96 40.71 1amm s TYR 6 CO 0.01 0.06 1.52 0.93 -1.11 0.00 0.00 175.55 176.96 1amm h GLU 7 N 5.06 0.00 -5.98 -0.62 5.08 -0.95 0.67 114.58 117.85 1amm h GLU 7 Ca -0.43 -0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.36 1amm h GLU 7 Cb 1.15 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.31 1amm h GLU 7 CO 0.45 0.73 -0.54 -0.51 -1.00 0.00 0.00 179.01 178.13 1amm s ASP 8 N -6.81 4.41 0.73 1.42 1.01 -0.77 -3.16 116.67 113.49 1amm s ASP 8 Ca -0.01 -0.98 -0.13 0.00 0.71 0.00 0.00 52.55 52.14 1amm s ASP 8 Cb 0.12 -0.55 0.04 0.00 1.01 0.00 0.00 42.92 43.53 1amm s ASP 8 CO 0.78 -0.40 1.12 -0.13 0.21 0.00 0.00 175.17 176.76 1amm s ARG 9 N -3.84 2.37 -1.10 8.23 0.52 -1.26 -3.54 118.95 120.34 1amm s ARG 9 Ca 0.38 1.41 -0.02 0.00 -0.52 0.00 0.00 55.73 56.98 1amm s ARG 9 Cb 0.01 -1.90 0.00 0.00 0.52 0.00 0.00 34.95 33.59 1amm s ARG 9 CO 0.22 -1.59 0.24 0.41 0.02 0.00 0.00 175.30 174.60 1amm n GLY 10 N -0.49 -0.15 2.24 -3.53 0.00 0.11 -2.92 105.19 100.45 1amm n GLY 10 Ca 0.11 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1amm n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1amm n PHE 11 N -4.06 -0.22 -3.99 1.61 3.72 -1.25 -5.01 117.46 108.26 1amm n PHE 11 Ca -0.11 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.07 1amm n PHE 11 Cb 0.60 -2.16 -0.03 0.00 -0.94 0.00 0.00 39.48 36.95 1amm n PHE 11 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1amm s GLN 12 N -3.62 3.19 0.92 -1.08 -1.52 -1.15 -5.03 119.66 111.37 1amm s GLN 12 Ca 0.00 -0.91 0.00 0.00 -1.95 0.00 0.00 55.36 52.50 1amm s GLN 12 Cb 0.00 -2.74 0.00 0.00 -0.22 0.00 0.00 33.01 30.05 1amm s GLN 12 CO 0.00 0.38 0.00 0.41 -0.25 0.00 0.00 175.29 175.83 1amm n GLY 13 N -1.33 -2.00 3.77 3.09 0.00 -1.26 -1.85 105.19 105.61 1amm n GLY 13 Ca -0.08 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 1amm n GLY 13 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1amm s HIS 14 N 0.00 2.81 0.25 1.61 2.46 -1.26 -4.68 115.29 116.48 1amm s HIS 14 Ca 0.00 1.27 0.01 0.00 0.47 0.00 0.00 55.06 56.81 1amm s HIS 14 Cb 0.00 -3.87 -0.04 0.00 -0.13 0.00 0.00 32.58 28.55 1amm s HIS 14 CO 0.00 -2.49 0.16 0.00 -2.47 0.00 0.00 174.74 169.94 1amm s TYR 16 N -3.89 -0.53 -0.17 0.00 5.04 -0.33 -4.94 117.35 112.53 1amm s TYR 16 Ca 0.39 1.17 -0.10 0.00 -2.44 0.00 0.00 57.07 56.09 1amm s TYR 16 Cb 0.06 0.21 -0.05 0.00 0.35 0.00 0.00 41.96 42.54 1amm s TYR 16 CO 0.16 -0.30 0.17 -2.00 -1.34 0.00 0.00 175.55 172.23 1amm s GLU 17 N 1.17 4.01 -0.02 4.97 2.12 -1.26 -1.05 118.70 128.63 1amm s GLU 17 Ca -0.08 -0.13 0.07 0.00 0.36 0.00 0.00 54.97 55.19 1amm s GLU 17 Cb -0.08 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 1amm s GLU 17 CO -0.10 0.42 -0.23 0.00 -0.54 0.00 0.00 175.26 174.82 1amm n SER 19 N 2.59 1.50 -3.32 0.00 7.64 -1.26 -1.36 113.62 119.42 1amm n SER 19 Ca -0.16 -2.20 -0.06 0.00 1.01 0.00 0.00 58.87 57.46 1amm n SER 19 Cb 0.52 -0.17 0.01 0.00 -1.01 0.00 0.00 64.21 63.56 1amm n SER 19 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1amm s SER 20 N -1.46 -0.07 0.48 6.43 1.04 -1.26 -4.46 113.70 114.40 1amm s SER 20 Ca 0.11 -0.83 -0.23 0.00 0.48 0.00 0.00 55.95 55.48 1amm s SER 20 Cb 0.09 0.70 -0.08 0.00 0.10 0.00 0.00 66.02 66.83 1amm s SER 20 CO 0.01 -1.35 1.07 0.47 0.98 0.00 0.00 173.24 174.41 1amm n ASP 21 N -1.06 1.45 -3.58 7.02 8.00 -1.26 -4.58 116.55 122.54 1amm n ASP 21 Ca -0.06 0.98 -0.15 0.00 0.71 0.00 0.00 54.79 56.27 1amm n ASP 21 Cb 0.60 -1.41 -0.13 0.00 -0.02 0.00 0.00 41.12 40.16 1amm n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1amm n PRO 23 N 5.34 0.72 -3.25 0.00 -0.04 -1.26 -1.27 135.00 135.24 1amm n PRO 23 Ca -0.06 -0.12 -0.04 0.00 -0.04 0.00 0.00 63.50 63.25 1amm n PRO 23 Cb 0.50 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 1amm n PRO 23 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1amm s ASN 24 N -2.36 -0.43 0.00 3.54 2.47 -1.25 -0.14 114.94 116.77 1amm s ASN 24 Ca 0.34 -0.02 0.25 0.00 0.42 0.00 0.00 52.86 53.86 1amm s ASN 24 Cb 0.21 1.50 0.55 0.00 -1.45 0.00 0.00 41.25 42.06 1amm s ASN 24 CO 0.44 -0.32 1.44 0.18 -3.72 0.00 0.00 177.10 175.11 1amm n LEU 25 N 5.38 0.91 0.13 3.21 4.77 0.62 -4.41 117.00 127.61 1amm n LEU 25 Ca 0.01 -0.22 0.06 0.00 -0.03 0.00 0.00 56.01 55.83 1amm n LEU 25 Cb 0.51 -0.15 0.52 0.00 -2.33 0.00 0.00 43.42 41.97 1amm n LEU 25 CO -0.02 0.19 1.11 -0.61 -1.33 0.00 0.00 177.39 176.73 1amm h GLN 26 N 0.80 0.27 0.00 3.23 4.15 -1.77 0.10 115.11 121.90 1amm h GLN 26 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1amm h GLN 26 Cb 0.52 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1amm h GLN 26 CO 0.00 0.19 0.00 -1.35 -1.93 0.00 0.00 178.83 175.74 1amm h PRO 27 N 0.28 0.00 0.00 -2.39 0.11 -1.97 -3.23 132.00 124.80 1amm h PRO 27 Ca 0.08 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.96 1amm h PRO 27 Cb -0.02 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.05 1amm h PRO 27 CO -0.01 0.00 -2.03 0.66 -0.21 0.00 0.00 178.00 176.41 1amm n TYR 28 N -2.38 0.29 -3.54 0.65 4.01 0.35 -5.00 117.16 111.53 1amm n TYR 28 Ca 0.00 0.10 -0.15 0.00 -0.16 0.00 0.00 57.90 57.69 1amm n TYR 28 Cb 0.14 -0.91 -0.06 0.00 -0.31 0.00 0.00 39.34 38.20 1amm n TYR 28 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1amm s PHE 29 N -2.85 -0.55 -0.24 -0.72 -0.12 -1.17 -4.75 117.98 107.57 1amm s PHE 29 Ca -0.08 0.92 0.22 0.00 -0.05 0.00 0.00 56.93 57.95 1amm s PHE 29 Cb 0.09 0.43 -0.20 0.00 -0.63 0.00 0.00 43.02 42.70 1amm s PHE 29 CO 0.84 -0.53 0.71 -1.13 -0.05 0.00 0.00 175.22 175.07 1amm n SER 30 N 0.79 0.35 -3.80 1.98 3.41 -1.26 -4.39 113.62 110.70 1amm n SER 30 Ca -0.16 -0.05 -0.06 0.00 -0.26 0.00 0.00 58.87 58.34 1amm n SER 30 Cb 0.58 1.41 -0.02 0.00 -0.26 0.00 0.00 64.21 65.92 1amm n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1amm s ARG 31 N -3.40 1.60 -0.15 4.33 1.70 -1.26 -4.99 118.95 116.78 1amm s ARG 31 Ca -0.03 -0.87 -0.04 0.00 -0.47 0.00 0.00 55.73 54.32 1amm s ARG 31 Cb 0.13 0.56 0.07 0.00 -0.57 0.00 0.00 34.95 35.14 1amm s ARG 31 CO 0.87 -0.73 0.15 0.00 -1.08 0.00 0.00 175.30 174.51 1amm n ASN 33 N 5.31 1.34 -3.44 0.00 3.02 0.21 -4.46 115.26 117.23 1amm n ASN 33 Ca -0.06 -1.17 -0.13 0.00 -0.03 0.00 0.00 54.58 53.19 1amm n ASN 33 Cb 0.49 0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.71 1amm n ASN 33 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1amm s SER 34 N -0.50 -0.57 -0.13 6.41 1.04 -1.10 -3.36 113.70 115.49 1amm s SER 34 Ca 0.06 0.13 -0.11 0.00 0.48 0.00 0.00 55.95 56.51 1amm s SER 34 Cb 0.04 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.77 1amm s SER 34 CO 0.07 -0.88 0.33 -0.63 0.98 0.00 0.00 173.24 173.12 1amm s ILE 35 N -3.22 -0.00 -0.19 -1.02 1.01 -0.15 -0.69 121.20 116.94 1amm s ILE 35 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.64 1amm s ILE 35 Cb -0.01 -0.47 0.01 0.00 0.01 0.00 0.00 42.46 42.00 1amm s ILE 35 CO -0.08 0.00 -0.13 -0.60 0.00 0.00 0.00 174.94 174.13 1amm s ARG 36 N 0.28 3.17 -0.33 2.79 3.52 -0.43 -0.35 118.95 127.60 1amm s ARG 36 Ca -0.01 -0.74 -0.13 0.00 -0.13 0.00 0.00 55.73 54.73 1amm s ARG 36 Cb -0.03 -2.76 -0.02 0.00 -1.56 0.00 0.00 34.95 30.58 1amm s ARG 36 CO -0.01 -0.18 0.24 0.08 -0.81 0.00 0.00 175.30 174.63 1amm s VAL 37 N 1.32 5.28 -0.03 7.11 1.01 0.34 -1.05 120.40 134.38 1amm s VAL 37 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 1amm s VAL 37 Cb -0.14 -3.69 -0.27 0.00 0.00 0.00 0.00 36.38 32.28 1amm s VAL 37 CO -0.08 0.03 0.74 0.44 0.00 0.00 0.00 175.10 176.24 1amm h ASP 38 N 8.46 0.34 -4.69 3.32 3.32 -1.10 -1.18 116.42 124.89 1amm h ASP 38 Ca -0.32 -0.54 0.01 0.00 0.02 0.00 0.00 57.03 56.20 1amm h ASP 38 Cb 1.16 -0.11 -0.19 0.00 0.22 0.00 0.00 39.33 40.41 1amm h ASP 38 CO 0.62 1.46 0.33 -0.94 -1.72 0.00 0.00 179.24 179.00 1amm s SER 39 N -6.86 -0.53 0.00 6.45 1.04 -0.89 -4.91 113.70 108.00 1amm s SER 39 Ca -0.11 0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.79 1amm s SER 39 Cb 0.07 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1amm s SER 39 CO 0.83 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 175.09 1amm n GLY 40 N 0.58 1.13 3.51 7.32 0.00 -1.26 -0.88 105.19 115.60 1amm n GLY 40 Ca -0.15 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 1amm n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1amm s TRP 42 N 0.02 1.31 -0.15 0.00 0.52 -0.11 -0.12 118.94 120.40 1amm s TRP 42 Ca -0.00 -0.43 -0.01 0.00 0.02 0.00 0.00 56.10 55.67 1amm s TRP 42 Cb -0.13 -0.74 -0.02 0.00 -1.15 0.00 0.00 33.47 31.43 1amm s TRP 42 CO 0.03 0.07 -0.10 1.41 0.02 0.00 0.00 176.95 178.38 1amm s MET 43 N -1.65 3.43 0.12 4.98 1.75 0.00 -1.18 119.30 126.75 1amm s MET 43 Ca -0.00 -0.65 0.07 0.00 -1.25 0.00 0.00 55.69 53.86 1amm s MET 43 Cb -0.10 -2.75 -0.04 0.00 2.84 0.00 0.00 34.83 34.79 1amm s MET 43 CO 0.02 0.14 -0.08 -0.51 -0.65 0.00 0.00 175.02 173.95 1amm s LEU 44 N 0.56 3.10 0.03 4.11 1.43 0.85 -0.33 118.68 128.44 1amm s LEU 44 Ca -0.07 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 1amm s LEU 44 Cb -0.15 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1amm s LEU 44 CO 0.03 0.15 -0.12 -0.31 0.23 0.00 0.00 176.35 176.34 1amm s TYR 45 N -1.36 1.03 0.32 0.29 1.51 -0.13 -0.65 117.35 118.36 1amm s TYR 45 Ca 0.23 -0.33 0.05 0.00 -1.01 0.00 0.00 57.07 56.01 1amm s TYR 45 Cb -0.11 -0.62 0.55 0.00 -0.11 0.00 0.00 41.96 41.68 1amm s TYR 45 CO 0.15 0.01 1.81 1.49 -1.11 0.00 0.00 175.55 177.89 1amm h GLU 46 N 5.08 0.41 -6.02 -0.62 4.81 -0.96 0.56 114.58 117.83 1amm h GLU 46 Ca -0.36 -0.12 -0.60 0.00 -0.13 0.00 0.00 59.36 58.14 1amm h GLU 46 Cb 1.18 -0.04 -0.14 0.00 0.63 0.00 0.00 28.75 30.38 1amm h GLU 46 CO 0.45 0.57 -0.72 1.03 -0.73 0.00 0.00 179.01 179.61 1amm s ARG 47 N -4.65 1.73 0.91 1.92 0.52 -0.34 -3.59 118.95 115.45 1amm s ARG 47 Ca -0.06 -1.84 -0.11 0.00 -0.52 0.00 0.00 55.73 53.19 1amm s ARG 47 Cb 0.15 -1.69 0.14 0.00 0.52 0.00 0.00 34.95 34.07 1amm s ARG 47 CO 0.77 0.22 1.10 -2.14 0.02 0.00 0.00 175.30 175.27 1amm s PRO 48 N -3.57 1.12 -1.39 3.54 0.02 -1.26 -3.40 135.00 130.06 1amm s PRO 48 Ca 0.31 1.17 0.00 0.00 0.02 0.00 0.00 61.00 62.50 1amm s PRO 48 Cb -0.01 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.75 1amm s PRO 48 CO 0.15 -2.44 0.00 0.09 -0.33 0.00 0.00 177.00 174.47 1amm n ASN 49 N -4.07 -4.78 -2.87 2.53 3.02 0.81 -3.32 115.26 106.58 1amm n ASN 49 Ca 0.09 0.01 -0.13 0.00 -0.03 0.00 0.00 54.58 54.51 1amm n ASN 49 Cb 0.53 -3.89 0.07 0.00 -0.61 0.00 0.00 39.78 35.88 1amm n ASN 49 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1amm n TYR 50 N -3.94 -1.69 -4.48 3.10 4.01 -1.24 -5.02 117.16 107.91 1amm n TYR 50 Ca -0.19 0.72 -0.24 0.00 -0.16 0.00 0.00 57.90 58.04 1amm n TYR 50 Cb 0.64 -4.36 -0.09 0.00 -0.31 0.00 0.00 39.34 35.22 1amm n TYR 50 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1amm s GLN 51 N -5.02 1.81 1.05 -0.72 -0.21 -1.21 -5.03 119.66 110.32 1amm s GLN 51 Ca 0.01 -2.07 0.00 0.00 0.02 0.00 0.00 55.36 53.32 1amm s GLN 51 Cb -0.00 -0.62 0.00 0.00 1.00 0.00 0.00 33.01 33.39 1amm s GLN 51 CO 0.56 -0.39 0.00 0.41 -2.12 0.00 0.00 175.29 173.75 1amm n GLY 52 N -0.81 -1.85 3.75 3.09 0.00 -1.26 -1.20 105.19 106.92 1amm n GLY 52 Ca -0.04 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 1amm n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1amm s HIS 53 N 0.00 2.33 0.15 1.61 3.76 -1.26 -4.67 115.29 117.20 1amm s HIS 53 Ca 0.00 1.34 0.09 0.00 -0.15 0.00 0.00 55.06 56.35 1amm s HIS 53 Cb 0.00 -3.83 -0.04 0.00 1.11 0.00 0.00 32.58 29.82 1amm s HIS 53 CO 0.00 -2.91 -0.15 -0.65 -0.85 0.00 0.00 174.74 170.18 1amm s GLN 54 N -2.79 1.88 -0.05 1.40 -0.21 -1.26 -0.90 119.66 117.73 1amm s GLN 54 Ca 0.69 -1.25 -0.02 0.00 0.02 0.00 0.00 55.36 54.80 1amm s GLN 54 Cb -0.41 -2.11 0.03 0.00 1.00 0.00 0.00 33.01 31.52 1amm s GLN 54 CO 0.50 0.45 0.11 0.71 -2.12 0.00 0.00 175.29 174.95 1amm s TYR 55 N -1.42 -0.11 -0.12 0.91 2.02 0.17 -4.20 117.35 114.59 1amm s TYR 55 Ca 0.21 0.37 -0.16 0.00 -0.37 0.00 0.00 57.07 57.13 1amm s TYR 55 Cb -0.10 -0.11 -0.05 0.00 -0.40 0.00 0.00 41.96 41.31 1amm s TYR 55 CO 0.12 -0.14 0.39 0.12 -1.57 0.00 0.00 175.55 174.47 1amm s PHE 56 N 1.04 3.52 -0.01 2.71 5.36 -1.26 -0.10 117.98 129.23 1amm s PHE 56 Ca -0.08 0.77 0.01 0.00 -0.96 0.00 0.00 56.93 56.67 1amm s PHE 56 Cb -0.11 -2.42 0.00 0.00 -0.34 0.00 0.00 43.02 40.15 1amm s PHE 56 CO -0.05 0.26 -0.04 -0.51 -1.46 0.00 0.00 175.22 173.43 1amm s LEU 57 N 0.33 1.79 0.53 6.12 1.02 -0.33 -5.00 118.68 123.13 1amm s LEU 57 Ca 0.22 -0.08 0.03 0.00 0.02 0.00 0.00 54.13 54.32 1amm s LEU 57 Cb -0.14 -0.26 0.01 0.00 0.02 0.00 0.00 46.19 45.81 1amm s LEU 57 CO 0.08 0.02 0.19 -0.13 0.02 0.00 0.00 176.35 176.53 1amm s ARG 58 N 0.20 2.23 0.22 1.70 0.52 -1.26 -0.94 118.95 121.62 1amm s ARG 58 Ca -0.02 -2.23 -0.31 0.00 -0.52 0.00 0.00 55.73 52.66 1amm s ARG 58 Cb -0.05 -1.80 -0.15 0.00 0.52 0.00 0.00 34.95 33.47 1amm s ARG 58 CO -0.00 -0.48 1.05 0.54 0.02 0.00 0.00 175.30 176.43 1amm n ARG 59 N -1.50 1.14 0.00 3.54 1.74 -1.26 -4.68 116.66 115.65 1amm n ARG 59 Ca -0.11 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 1amm n ARG 59 Cb 0.66 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1amm n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1amm n GLY 60 N 1.70 0.67 3.66 -0.13 0.00 -0.45 -4.94 105.19 105.69 1amm n GLY 60 Ca 0.13 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 1amm n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1amm s ASP 61 N 0.00 5.42 -0.48 1.61 1.11 -1.26 -0.50 116.67 122.56 1amm s ASP 61 Ca 0.00 0.11 0.03 0.00 0.18 0.00 0.00 52.55 52.87 1amm s ASP 61 Cb 0.00 -1.76 0.15 0.00 1.07 0.00 0.00 42.92 42.38 1amm s ASP 61 CO 0.00 0.27 0.30 -0.31 1.18 0.00 0.00 175.17 176.62 1amm s TYR 62 N -0.25 2.10 -1.83 4.23 1.51 0.53 -5.00 117.35 118.65 1amm s TYR 62 Ca 0.07 -2.57 0.29 0.00 -1.01 0.00 0.00 57.07 53.86 1amm s TYR 62 Cb -0.12 -1.85 1.67 0.00 -0.11 0.00 0.00 41.96 41.54 1amm s TYR 62 CO 0.02 -0.75 2.07 -0.35 -1.11 0.00 0.00 175.55 175.43 1amm n PRO 63 N 3.14 0.77 -3.60 -1.71 -0.04 -1.26 -0.98 135.00 131.32 1amm n PRO 63 Ca 0.14 0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.46 1amm n PRO 63 Cb 0.37 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 1amm n PRO 63 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1amm s ASP 64 N -2.17 -0.46 0.24 3.54 1.47 -1.23 -0.71 116.67 117.35 1amm s ASP 64 Ca 0.39 0.35 0.22 0.00 1.18 0.00 0.00 52.55 54.68 1amm s ASP 64 Cb 0.20 0.47 0.95 0.00 -0.34 0.00 0.00 42.92 44.20 1amm s ASP 64 CO 0.37 -0.62 1.66 0.00 0.68 0.00 0.00 175.17 177.26 1amm n TYR 65 N 0.78 0.70 0.27 2.11 0.18 -1.21 -1.28 117.16 118.70 1amm n TYR 65 Ca -0.19 0.29 0.15 0.00 1.88 0.00 0.00 57.90 60.03 1amm n TYR 65 Cb 0.58 -0.97 0.74 0.00 -0.38 0.00 0.00 39.34 39.32 1amm n TYR 65 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 1amm h GLN 66 N 0.00 0.00 0.00 -3.48 4.20 -1.93 0.46 115.11 114.36 1amm h GLN 66 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1amm h GLN 66 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1amm h GLN 66 CO 0.00 0.09 0.00 1.96 -0.67 0.00 0.00 178.83 180.21 1amm h GLN 67 N 0.00 0.00 -0.25 1.46 1.08 -1.57 -1.39 115.11 114.44 1amm h GLN 67 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1amm h GLN 67 Cb 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1amm h GLN 67 CO 0.01 0.00 0.00 -2.67 -0.95 0.00 0.00 178.83 175.22 1amm n TRP 68 N -2.48 0.63 -3.19 2.96 2.14 -0.76 -4.96 117.44 111.77 1amm n TRP 68 Ca 0.02 -0.74 -0.21 0.00 2.07 0.00 0.00 57.50 58.64 1amm n TRP 68 Cb 0.26 -0.18 0.05 0.00 -0.81 0.00 0.00 31.31 30.62 1amm n TRP 68 CO 0.00 0.00 0.00 -1.33 2.07 0.00 0.00 177.69 178.43 1amm n MET 69 N -0.25 -5.70 -2.07 -2.67 2.81 -0.52 -4.79 117.12 103.92 1amm n MET 69 Ca 0.16 0.79 -0.33 0.00 -1.81 0.00 0.00 57.70 56.52 1amm n MET 69 Cb 0.67 -5.53 0.01 0.00 -0.71 0.00 0.00 33.22 27.66 1amm n MET 69 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1amm s GLY 70 N -2.99 2.11 0.21 3.03 0.00 0.08 -4.96 107.32 104.80 1amm s GLY 70 Ca 0.39 0.36 0.19 0.00 0.00 0.00 0.00 44.72 45.66 1amm s GLY 70 CO 0.48 0.68 1.14 -2.75 0.00 0.00 0.00 173.10 172.65 1amm h PHE 71 N 0.47 0.00 -0.82 1.90 3.57 -1.93 -3.43 116.94 116.70 1amm h PHE 71 Ca -0.47 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1amm h PHE 71 Cb 1.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1amm h PHE 71 CO 0.59 0.30 0.00 0.27 -2.23 0.00 0.00 178.31 177.24 1amm n ASN 72 N -2.93 0.00 -2.12 0.41 0.23 -1.26 -5.04 115.26 104.55 1amm n ASN 72 Ca -0.02 -0.34 -0.16 0.00 -0.53 0.00 0.00 54.58 53.53 1amm n ASN 72 Cb 0.68 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.62 1amm n ASN 72 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1amm n ASP 73 N -0.16 4.21 -4.49 0.53 5.68 -1.26 -4.91 116.55 116.15 1amm n ASP 73 Ca 0.00 -3.45 -0.37 0.00 -0.50 0.00 0.00 54.79 50.47 1amm n ASP 73 Cb 0.00 -0.80 -0.12 0.00 -1.14 0.00 0.00 41.12 39.06 1amm n ASP 73 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1amm s SER 74 N -1.21 5.42 -0.23 -1.12 0.15 -1.26 -0.08 113.70 115.37 1amm s SER 74 Ca 0.56 -0.18 -0.02 0.00 0.70 0.00 0.00 55.95 57.01 1amm s SER 74 Cb 0.46 -1.99 0.07 0.00 -1.71 0.00 0.00 66.02 62.86 1amm s SER 74 CO 0.12 -0.05 0.04 -0.63 1.20 0.00 0.00 173.24 173.92 1amm s ILE 75 N 1.66 0.72 0.00 6.45 -1.09 -1.26 -4.23 121.20 123.44 1amm s ILE 75 Ca 0.06 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.65 1amm s ILE 75 Cb -0.16 -1.27 0.00 0.00 -1.58 0.00 0.00 42.46 39.45 1amm s ILE 75 CO 0.06 -0.31 0.36 0.54 -1.23 0.00 0.00 174.94 174.35 1amm n ARG 76 N 4.96 0.66 -3.69 2.79 1.74 0.17 -4.77 116.66 118.53 1amm n ARG 76 Ca -0.08 -0.36 -0.10 0.00 -0.77 0.00 0.00 57.85 56.55 1amm n ARG 76 Cb 0.45 -0.85 -0.04 0.00 -1.02 0.00 0.00 32.46 31.01 1amm n ARG 76 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1amm s SER 77 N -0.20 -0.30 -0.05 0.55 1.04 -1.13 -0.28 113.70 113.33 1amm s SER 77 Ca 0.00 -0.41 -0.24 0.00 0.48 0.00 0.00 55.95 55.79 1amm s SER 77 Cb 0.00 0.57 0.05 0.00 0.10 0.00 0.00 66.02 66.75 1amm s SER 77 CO 0.00 -1.03 0.53 0.00 0.98 0.00 0.00 173.24 173.72 1amm s ARG 79 N -1.10 2.75 -0.50 0.00 0.52 0.56 -0.41 118.95 120.77 1amm s ARG 79 Ca -0.11 -0.83 -0.25 0.00 -0.52 0.00 0.00 55.73 54.01 1amm s ARG 79 Cb -0.02 -2.29 0.03 0.00 0.52 0.00 0.00 34.95 33.18 1amm s ARG 79 CO 0.07 0.36 0.96 -1.17 0.02 0.00 0.00 175.30 175.54 1amm s LEU 80 N -0.09 3.99 0.01 2.53 2.96 -1.26 -0.82 118.68 125.99 1amm s LEU 80 Ca -0.05 -0.03 -0.30 0.00 -0.22 0.00 0.00 54.13 53.53 1amm s LEU 80 Cb -0.14 -3.08 -0.04 0.00 0.50 0.00 0.00 46.19 43.42 1amm s LEU 80 CO 0.04 -1.15 1.18 -0.63 -1.32 0.00 0.00 176.35 174.48 1amm s ILE 81 N 3.93 4.19 0.33 6.68 1.01 0.83 -4.83 121.20 133.33 1amm s ILE 81 Ca 0.36 1.55 -0.29 0.00 0.00 0.00 0.00 60.65 62.27 1amm s ILE 81 Cb -0.11 -4.00 -0.10 0.00 0.01 0.00 0.00 42.46 38.27 1amm s ILE 81 CO 0.24 0.07 1.36 -2.84 0.00 0.00 0.00 174.94 173.77 1amm s PRO 82 N 1.53 4.30 0.43 2.79 0.02 -1.26 -4.54 135.00 138.26 1amm s PRO 82 Ca 0.57 2.29 -0.25 0.00 0.02 0.00 0.00 61.00 63.64 1amm s PRO 82 Cb -0.27 -3.06 -0.08 0.00 0.02 0.00 0.00 34.50 31.11 1amm s PRO 82 CO 0.26 -0.29 1.23 -1.14 -0.33 0.00 0.00 177.00 176.74 1amm s GLN 83 N -1.61 3.88 -0.07 5.54 0.74 -1.26 -4.71 119.66 122.16 1amm s GLN 83 Ca 0.51 1.98 -0.04 0.00 0.05 0.00 0.00 55.36 57.85 1amm s GLN 83 Cb -0.41 -2.61 0.03 0.00 1.10 0.00 0.00 33.01 31.11 1amm s GLN 83 CO 0.53 -0.51 0.17 -1.58 -0.55 0.00 0.00 175.29 173.35 1amm s HIS 84 N -1.37 -0.19 0.20 1.67 5.65 -1.26 -5.04 115.29 114.95 1amm s HIS 84 Ca 0.60 0.50 0.10 0.00 0.25 0.00 0.00 55.06 56.51 1amm s HIS 84 Cb -0.34 0.00 -0.04 0.00 -1.18 0.00 0.00 32.58 31.02 1amm s HIS 84 CO 0.42 -0.14 -0.20 0.95 -0.65 0.00 0.00 174.74 175.13 1amm s THR 85 N 0.69 2.11 0.00 0.89 -4.23 -1.26 -4.92 115.64 108.92 1amm s THR 85 Ca -0.05 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 1amm s THR 85 Cb -0.07 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.72 1amm s THR 85 CO -0.04 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 1amm n GLY 86 N -0.02 0.92 3.71 3.99 0.00 -1.26 -4.94 105.19 107.58 1amm n GLY 86 Ca -0.10 -1.67 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 1amm n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1amm s THR 87 N 0.00 4.99 -0.08 2.61 2.01 -1.26 -5.05 115.64 118.87 1amm s THR 87 Ca 0.00 1.55 -0.12 0.00 0.31 0.00 0.00 61.69 63.43 1amm s THR 87 Cb 0.00 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 1amm s THR 87 CO 0.00 0.20 0.29 -0.36 -0.69 0.00 0.00 174.62 174.06 1amm s PHE 88 N 1.08 3.62 -0.12 4.92 0.40 -1.26 -4.50 117.98 122.12 1amm s PHE 88 Ca 0.39 0.74 -0.07 0.00 -0.60 0.00 0.00 56.93 57.39 1amm s PHE 88 Cb -0.18 -2.19 0.04 0.00 0.51 0.00 0.00 43.02 41.20 1amm s PHE 88 CO 0.18 0.57 0.28 0.50 0.70 0.00 0.00 175.22 177.45 1amm s ARG 89 N -0.65 0.26 0.09 0.44 3.52 0.13 -4.22 118.95 118.52 1amm s ARG 89 Ca 0.19 0.54 -0.01 0.00 -0.13 0.00 0.00 55.73 56.33 1amm s ARG 89 Cb -0.14 -0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.16 1amm s ARG 89 CO 0.08 -0.14 0.00 0.00 -0.81 0.00 0.00 175.30 174.43 1amm s MET 90 N 1.06 0.78 -0.07 5.12 0.23 -0.38 -0.86 119.30 125.17 1amm s MET 90 Ca -0.07 -1.33 0.03 0.00 -1.03 0.00 0.00 55.69 53.29 1amm s MET 90 Cb -0.08 0.16 0.00 0.00 -1.53 0.00 0.00 34.83 33.38 1amm s MET 90 CO -0.07 -0.16 -0.18 1.03 -2.03 0.00 0.00 175.02 173.61 1amm s ARG 91 N -3.96 2.18 0.10 3.16 0.52 0.46 -0.29 118.95 121.12 1amm s ARG 91 Ca 0.15 -0.62 0.04 0.00 -0.52 0.00 0.00 55.73 54.78 1amm s ARG 91 Cb 0.07 -1.75 -0.04 0.00 0.52 0.00 0.00 34.95 33.75 1amm s ARG 91 CO -0.04 0.14 0.04 0.96 0.02 0.00 0.00 175.30 176.41 1amm s ILE 92 N 0.40 4.23 0.04 1.52 -4.36 0.01 -0.24 121.20 122.80 1amm s ILE 92 Ca -0.13 -0.94 0.04 0.00 -0.26 0.00 0.00 60.65 59.36 1amm s ILE 92 Cb -0.16 -3.05 -0.02 0.00 1.25 0.00 0.00 42.46 40.49 1amm s ILE 92 CO 0.05 0.09 -0.13 -0.31 0.24 0.00 0.00 174.94 174.88 1amm s TYR 93 N -1.41 1.10 0.21 1.37 2.02 -0.14 -1.18 117.35 119.32 1amm s TYR 93 Ca 0.28 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.62 1amm s TYR 93 Cb -0.12 -0.65 0.17 0.00 -0.40 0.00 0.00 41.96 40.97 1amm s TYR 93 CO 0.20 0.02 1.52 0.93 -1.57 0.00 0.00 175.55 176.65 1amm h GLU 94 N 4.86 0.37 -5.99 -0.62 5.08 -1.17 -2.30 114.58 114.81 1amm h GLU 94 Ca -0.37 -0.25 -0.57 0.00 -1.00 0.00 0.00 59.36 57.16 1amm h GLU 94 Cb 1.19 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.38 1amm h GLU 94 CO 0.43 0.86 -0.57 1.03 -1.00 0.00 0.00 179.01 179.77 1amm s ARG 95 N -3.81 2.18 0.92 2.33 0.52 -0.51 -4.04 118.95 116.55 1amm s ARG 95 Ca -0.05 -1.75 -0.12 0.00 -0.52 0.00 0.00 55.73 53.29 1amm s ARG 95 Cb 0.11 -1.98 0.14 0.00 0.52 0.00 0.00 34.95 33.74 1amm s ARG 95 CO 0.82 0.05 1.11 0.16 0.02 0.00 0.00 175.30 177.46 1amm s ASP 96 N -3.80 3.35 -1.62 0.23 1.47 -1.25 -3.40 116.67 111.65 1amm s ASP 96 Ca 0.37 1.15 -0.03 0.00 1.18 0.00 0.00 52.55 55.22 1amm s ASP 96 Cb 0.01 -1.80 0.00 0.00 -0.34 0.00 0.00 42.92 40.80 1amm s ASP 96 CO 0.21 -2.67 0.43 -0.67 0.68 0.00 0.00 175.17 173.15 1amm n ASP 97 N -3.87 -6.08 -3.60 2.11 2.03 0.23 -2.63 116.55 104.74 1amm n ASP 97 Ca 0.06 -0.21 -0.21 0.00 0.52 0.00 0.00 54.79 54.96 1amm n ASP 97 Cb 0.58 -4.95 0.06 0.00 -0.72 0.00 0.00 41.12 36.09 1amm n ASP 97 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1amm n PHE 98 N -4.37 -2.18 -4.52 -0.67 3.72 -1.25 -5.00 117.46 103.18 1amm n PHE 98 Ca -0.15 0.91 -0.27 0.00 -0.05 0.00 0.00 57.45 57.89 1amm n PHE 98 Cb 0.64 -4.70 -0.10 0.00 -0.94 0.00 0.00 39.48 34.37 1amm n PHE 98 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1amm s ARG 99 N -5.84 1.95 0.84 -1.08 0.52 -1.08 -5.03 118.95 109.22 1amm s ARG 99 Ca 0.14 -2.00 0.00 0.00 -0.52 0.00 0.00 55.73 53.35 1amm s ARG 99 Cb -0.06 -1.72 0.00 0.00 0.52 0.00 0.00 34.95 33.69 1amm s ARG 99 CO 0.77 0.02 0.00 0.41 0.02 0.00 0.00 175.30 176.53 1amm n GLY 100 N -0.94 -2.03 3.77 -3.53 0.00 -1.26 -1.42 105.19 99.78 1amm n GLY 100 Ca -0.05 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 1amm n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1amm s GLN 101 N -0.31 4.29 -0.06 1.61 0.74 -1.26 -4.60 119.66 120.07 1amm s GLN 101 Ca 0.00 2.25 0.00 0.00 0.05 0.00 0.00 55.36 57.66 1amm s GLN 101 Cb 0.00 -3.03 -0.03 0.00 1.10 0.00 0.00 33.01 31.05 1amm s GLN 101 CO 0.00 -0.25 -0.04 1.41 -0.55 0.00 0.00 175.29 175.86 1amm s MET 102 N -1.87 2.79 0.02 1.67 -2.45 -1.26 -1.59 119.30 116.61 1amm s MET 102 Ca 0.50 -0.54 0.06 0.00 -1.25 0.00 0.00 55.69 54.47 1amm s MET 102 Cb -0.40 -2.64 -0.02 0.00 1.25 0.00 0.00 34.83 33.01 1amm s MET 102 CO 0.54 0.66 -0.19 -1.12 1.05 0.00 0.00 175.02 175.96 1amm s SER 103 N -0.98 2.28 -0.22 1.11 0.01 -0.33 -4.97 113.70 110.60 1amm s SER 103 Ca 0.14 -0.43 -0.09 0.00 1.31 0.00 0.00 55.95 56.88 1amm s SER 103 Cb -0.11 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 1amm s SER 103 CO 0.03 0.18 0.11 -0.70 0.41 0.00 0.00 173.24 173.27 1amm s GLU 104 N -0.83 3.97 -0.11 12.44 2.12 -1.26 -0.81 118.70 134.23 1amm s GLU 104 Ca 0.07 -0.33 0.03 0.00 0.36 0.00 0.00 54.97 55.10 1amm s GLU 104 Cb -0.08 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 30.94 1amm s GLU 104 CO 0.01 0.12 -0.22 0.42 -0.54 0.00 0.00 175.26 175.04 1amm s ILE 105 N 0.84 1.93 0.00 -3.70 1.01 0.60 -4.98 121.20 116.90 1amm s ILE 105 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1amm s ILE 105 Cb -0.13 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.65 1amm s ILE 105 CO 0.02 0.53 0.73 0.35 0.00 0.00 0.00 174.94 176.58 1amm n THR 106 N 3.71 0.49 -4.35 2.92 -2.24 -1.26 -1.25 114.28 112.30 1amm n THR 106 Ca -0.20 -0.51 -0.19 0.00 -2.27 0.00 0.00 64.05 60.88 1amm n THR 106 Cb 0.52 0.79 -0.09 0.00 -2.10 0.00 0.00 70.33 69.45 1amm n THR 106 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1amm s ASP 107 N -0.49 1.66 0.33 3.42 1.47 -1.26 -4.55 116.67 117.25 1amm s ASP 107 Ca 0.00 -1.57 -0.28 0.00 1.18 0.00 0.00 52.55 51.87 1amm s ASP 107 Cb 0.00 0.39 -0.10 0.00 -0.34 0.00 0.00 42.92 42.87 1amm s ASP 107 CO 0.00 -0.89 1.28 -1.81 0.68 0.00 0.00 175.17 174.42 1amm s ASP 108 N -3.39 6.78 -0.39 2.11 1.01 -1.26 -4.81 116.67 116.72 1amm s ASP 108 Ca 0.35 2.63 0.03 0.00 0.71 0.00 0.00 52.55 56.27 1amm s ASP 108 Cb 0.05 -2.64 0.11 0.00 1.01 0.00 0.00 42.92 41.44 1amm s ASP 108 CO 0.18 -0.52 0.12 0.00 0.21 0.00 0.00 175.17 175.16 1amm n PRO 110 N 3.98 0.22 -3.36 0.00 -0.04 -1.26 -1.13 135.00 133.41 1amm n PRO 110 Ca 0.04 0.34 -0.11 0.00 -0.04 0.00 0.00 63.50 63.73 1amm n PRO 110 Cb 0.39 -1.84 -0.08 0.00 -0.04 0.00 0.00 33.50 31.92 1amm n PRO 110 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1amm s SER 111 N -4.35 0.55 0.48 3.54 0.15 -1.25 0.92 113.70 113.74 1amm s SER 111 Ca 0.07 -0.06 0.27 0.00 0.70 0.00 0.00 55.95 56.92 1amm s SER 111 Cb 0.11 0.97 1.10 0.00 -1.71 0.00 0.00 66.02 66.49 1amm s SER 111 CO 0.47 -0.32 1.90 -0.07 1.20 0.00 0.00 173.24 176.42 1amm h LEU 112 N 8.20 0.00 -0.22 3.45 4.07 -1.25 -1.49 115.31 128.07 1amm h LEU 112 Ca -0.16 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.73 1amm h LEU 112 Cb 1.14 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.87 1amm h LEU 112 CO 0.28 0.16 -0.13 -0.61 -1.08 0.00 0.00 178.44 177.07 1amm h GLN 113 N 0.00 0.48 -0.41 1.13 4.15 -1.68 0.13 115.11 118.91 1amm h GLN 113 Ca -0.00 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.18 1amm h GLN 113 Cb 0.63 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 1amm h GLN 113 CO 0.02 0.76 0.18 -0.44 -1.93 0.00 0.00 178.83 177.42 1amm h ASP 114 N 0.18 0.56 0.35 -0.69 3.32 -1.84 0.11 116.42 118.40 1amm h ASP 114 Ca 0.05 -0.15 -0.32 0.00 0.02 0.00 0.00 57.03 56.62 1amm h ASP 114 Cb 0.63 -0.14 0.02 0.00 0.22 0.00 0.00 39.33 40.06 1amm h ASP 114 CO 0.04 0.55 -1.51 -0.09 -1.72 0.00 0.00 179.24 176.51 1amm h ARG 115 N 0.52 0.42 0.00 3.56 2.43 -1.25 -3.39 114.38 116.66 1amm h ARG 115 Ca 0.14 -0.71 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 1amm h ARG 115 Cb 0.16 0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1amm h ARG 115 CO -0.01 1.32 0.00 1.19 -1.51 0.00 0.00 179.97 180.96 1amm n PHE 116 N -3.61 0.00 -3.24 2.20 3.72 0.44 -4.99 117.46 111.97 1amm n PHE 116 Ca -0.17 -0.06 -0.23 0.00 -0.05 0.00 0.00 57.45 56.94 1amm n PHE 116 Cb 1.08 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 39.65 1amm n PHE 116 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1amm n HIS 117 N -0.06 -2.17 -4.67 1.38 8.25 0.37 -4.98 115.22 113.34 1amm n HIS 117 Ca 0.00 0.65 -0.31 0.00 -0.26 0.00 0.00 57.72 57.80 1amm n HIS 117 Cb 0.08 -4.40 -0.12 0.00 1.12 0.00 0.00 29.99 26.66 1amm n HIS 117 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1amm s LEU 118 N -6.84 2.67 -0.01 2.41 1.43 -1.11 -4.97 118.68 112.25 1amm s LEU 118 Ca 0.40 -0.37 0.11 0.00 -1.03 0.00 0.00 54.13 53.24 1amm s LEU 118 Cb -0.18 -1.56 -0.16 0.00 0.03 0.00 0.00 46.19 44.32 1amm s LEU 118 CO 0.49 0.27 0.31 0.35 0.23 0.00 0.00 176.35 178.00 1amm n THR 119 N 1.63 0.00 -4.07 5.49 -2.24 -1.26 -2.28 114.28 111.55 1amm n THR 119 Ca -0.16 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 1amm n THR 119 Cb 0.52 0.44 -0.11 0.00 -2.10 0.00 0.00 70.33 69.08 1amm n THR 119 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1amm s GLU 120 N -2.58 0.56 -0.07 -0.78 2.02 -1.26 -1.86 118.70 114.73 1amm s GLU 120 Ca -0.02 -0.79 0.02 0.00 0.02 0.00 0.00 54.97 54.20 1amm s GLU 120 Cb 0.08 -0.34 0.02 0.00 0.10 0.00 0.00 34.13 33.98 1amm s GLU 120 CO 0.46 0.06 -0.11 0.08 0.02 0.00 0.00 175.26 175.78 1amm s VAL 121 N -1.40 1.04 -0.60 2.63 1.01 -0.37 -4.83 120.40 117.87 1amm s VAL 121 Ca -0.09 -0.41 0.17 0.00 0.00 0.00 0.00 61.98 61.66 1amm s VAL 121 Cb -0.10 -0.98 -0.21 0.00 0.00 0.00 0.00 36.38 35.10 1amm s VAL 121 CO 0.01 0.34 0.64 1.41 0.00 0.00 0.00 175.10 177.49 1amm n HIS 122 N 4.00 0.00 -3.46 5.22 8.25 -0.87 -4.76 115.22 123.61 1amm n HIS 122 Ca -0.22 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.11 1amm n HIS 122 Cb 0.51 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.48 1amm n HIS 122 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1amm s SER 123 N -3.00 -0.57 0.03 0.41 1.04 -1.22 -3.88 113.70 106.52 1amm s SER 123 Ca 0.03 0.19 -0.19 0.00 0.48 0.00 0.00 55.95 56.46 1amm s SER 123 Cb 0.13 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.84 1amm s SER 123 CO 0.71 -0.83 0.44 -1.48 0.98 0.00 0.00 173.24 173.06 1amm s LEU 124 N -2.29 0.29 -0.15 2.42 0.05 0.04 -0.97 118.68 118.08 1amm s LEU 124 Ca -0.02 0.09 0.00 0.00 0.05 0.00 0.00 54.13 54.25 1amm s LEU 124 Cb -0.01 1.81 0.03 0.00 -2.05 0.00 0.00 46.19 45.97 1amm s LEU 124 CO -0.06 -0.65 -0.11 0.21 -0.55 0.00 0.00 176.35 175.19 1amm s ASN 125 N -1.87 2.72 -0.37 1.48 3.04 0.66 -0.65 114.94 119.95 1amm s ASN 125 Ca -0.07 -0.54 -0.16 0.00 0.04 0.00 0.00 52.86 52.13 1amm s ASN 125 Cb -0.01 -1.09 0.00 0.00 -1.54 0.00 0.00 41.25 38.61 1amm s ASN 125 CO -0.01 -0.10 0.40 -0.69 -3.04 0.00 0.00 177.10 173.67 1amm s VAL 126 N 1.53 5.13 -0.08 -5.21 1.01 0.48 -0.40 120.40 122.86 1amm s VAL 126 Ca 0.03 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 1amm s VAL 126 Cb -0.14 -3.92 -0.29 0.00 0.00 0.00 0.00 36.38 32.04 1amm s VAL 126 CO -0.09 -0.23 0.52 -0.07 0.00 0.00 0.00 175.10 175.23 1amm h LEU 127 N 8.89 0.52 -7.35 3.92 3.38 -1.28 -0.81 115.31 122.58 1amm h LEU 127 Ca -0.28 -0.94 -0.13 0.00 0.09 0.00 0.00 57.88 56.61 1amm h LEU 127 Cb 1.13 -0.17 -0.24 0.00 0.09 0.00 0.00 40.66 41.47 1amm h LEU 127 CO 0.74 1.82 -0.27 -1.61 0.09 0.00 0.00 178.44 179.21 1amm s GLU 128 N -2.56 0.45 0.07 1.13 2.02 -0.89 -4.88 118.70 114.04 1amm s GLU 128 Ca -0.19 0.50 0.00 0.00 0.02 0.00 0.00 54.97 55.30 1amm s GLU 128 Cb 0.06 0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.51 1amm s GLU 128 CO 0.81 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.44 1amm n GLY 129 N 2.82 -2.53 3.93 -1.39 0.00 -1.26 -0.69 105.19 106.07 1amm n GLY 129 Ca -0.13 -1.41 -0.28 0.00 0.00 0.00 0.00 46.02 44.19 1amm n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1amm s SER 130 N -4.64 6.37 0.10 1.61 0.01 -1.26 -3.95 113.70 111.94 1amm s SER 130 Ca 0.00 0.29 0.01 0.00 1.31 0.00 0.00 55.95 57.56 1amm s SER 130 Cb 0.00 -1.96 -0.04 0.00 0.21 0.00 0.00 66.02 64.22 1amm s SER 130 CO 0.00 0.06 -0.04 0.26 0.41 0.00 0.00 173.24 173.92 1amm s TRP 131 N -1.71 0.87 -0.18 2.43 0.52 0.10 -0.32 118.94 120.64 1amm s TRP 131 Ca 0.36 -0.98 -0.01 0.00 0.02 0.00 0.00 56.10 55.49 1amm s TRP 131 Cb -0.12 -0.51 -0.00 0.00 -1.15 0.00 0.00 33.47 31.68 1amm s TRP 131 CO 0.28 -0.22 -0.11 0.08 0.02 0.00 0.00 176.95 177.00 1amm s VAL 132 N -3.71 2.96 -0.09 4.03 1.01 0.90 -0.20 120.40 125.30 1amm s VAL 132 Ca 0.13 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 1amm s VAL 132 Cb 0.06 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1amm s VAL 132 CO -0.04 0.49 0.34 -0.22 0.00 0.00 0.00 175.10 175.67 1amm s LEU 133 N 1.01 4.35 -0.05 3.92 0.20 0.11 -0.86 118.68 127.35 1amm s LEU 133 Ca -0.01 0.71 0.06 0.00 0.69 0.00 0.00 54.13 55.58 1amm s LEU 133 Cb -0.15 -2.46 -0.01 0.00 -0.43 0.00 0.00 46.19 43.15 1amm s LEU 133 CO -0.02 0.21 -0.24 -0.31 -0.29 0.00 0.00 176.35 175.70 1amm s TYR 134 N -0.26 2.36 0.31 5.38 1.51 -0.38 -0.21 117.35 126.06 1amm s TYR 134 Ca 0.20 -0.69 0.03 0.00 -1.01 0.00 0.00 57.07 55.60 1amm s TYR 134 Cb -0.14 -1.55 0.62 0.00 -0.11 0.00 0.00 41.96 40.78 1amm s TYR 134 CO 0.08 -0.21 1.87 1.49 -1.11 0.00 0.00 175.55 177.67 1amm h GLU 135 N 6.06 0.89 -6.18 -0.62 4.81 -0.95 0.93 114.58 119.52 1amm h GLU 135 Ca -0.32 -0.05 -0.60 0.00 -0.13 0.00 0.00 59.36 58.25 1amm h GLU 135 Cb 1.17 -0.20 -0.14 0.00 0.63 0.00 0.00 28.75 30.21 1amm h GLU 135 CO 0.47 0.59 -0.76 -1.64 -0.73 0.00 0.00 179.01 176.94 1amm s MET 136 N -5.86 1.67 0.84 1.92 -1.94 -0.33 -2.42 119.30 113.18 1amm s MET 136 Ca -0.11 -1.77 -0.12 0.00 -1.71 0.00 0.00 55.69 51.98 1amm s MET 136 Cb 0.21 -1.74 0.10 0.00 2.01 0.00 0.00 34.83 35.41 1amm s MET 136 CO 0.80 0.32 1.17 -2.14 -0.01 0.00 0.00 175.02 175.16 1amm s PRO 137 N -3.52 1.48 -1.39 2.03 0.02 -1.26 -2.77 135.00 129.60 1amm s PRO 137 Ca 0.30 1.61 -0.02 0.00 0.02 0.00 0.00 61.00 62.91 1amm s PRO 137 Cb -0.05 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.70 1amm s PRO 137 CO 0.15 -2.30 0.23 0.43 -0.33 0.00 0.00 177.00 175.18 1amm n SER 138 N -3.66 -5.19 -2.89 2.53 7.64 0.26 -3.34 113.62 108.98 1amm n SER 138 Ca 0.12 -0.12 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1amm n SER 138 Cb 0.51 -4.16 0.07 0.00 -1.01 0.00 0.00 64.21 59.62 1amm n SER 138 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1amm n TYR 139 N -4.15 -1.83 -4.53 1.43 4.01 -1.22 -5.00 117.16 105.87 1amm n TYR 139 Ca -0.15 0.74 -0.25 0.00 -0.16 0.00 0.00 57.90 58.08 1amm n TYR 139 Cb 0.63 -4.34 -0.11 0.00 -0.31 0.00 0.00 39.34 35.21 1amm n TYR 139 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1amm s ARG 140 N -5.28 1.79 2.48 -0.72 0.52 -1.12 -5.04 118.95 111.59 1amm s ARG 140 Ca 0.11 -1.95 0.00 0.00 -0.52 0.00 0.00 55.73 53.37 1amm s ARG 140 Cb -0.05 -1.53 0.00 0.00 0.52 0.00 0.00 34.95 33.89 1amm s ARG 140 CO 0.57 0.06 0.00 0.41 0.02 0.00 0.00 175.30 176.35 1amm n GLY 141 N -0.79 -0.66 3.78 -3.53 0.00 -1.26 -1.19 105.19 101.54 1amm n GLY 141 Ca -0.05 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 1amm n GLY 141 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1amm s ARG 142 N 0.00 3.87 0.06 1.61 0.52 -1.26 -4.66 118.95 119.08 1amm s ARG 142 Ca 0.00 1.62 0.04 0.00 -0.52 0.00 0.00 55.73 56.87 1amm s ARG 142 Cb 0.00 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 1amm s ARG 142 CO 0.00 -0.42 -0.01 -0.65 0.02 0.00 0.00 175.30 174.24 1amm s GLN 143 N -2.74 2.60 -0.07 3.54 -0.21 -1.26 -0.81 119.66 120.71 1amm s GLN 143 Ca 0.63 -0.77 -0.03 0.00 0.02 0.00 0.00 55.36 55.21 1amm s GLN 143 Cb -0.24 -2.56 0.04 0.00 1.00 0.00 0.00 33.01 31.24 1amm s GLN 143 CO 0.30 0.57 0.13 0.71 -2.12 0.00 0.00 175.29 174.88 1amm s TYR 144 N -1.21 -0.12 0.17 0.91 2.02 0.71 -4.12 117.35 115.70 1amm s TYR 144 Ca 0.23 0.50 -0.31 0.00 -0.37 0.00 0.00 57.07 57.12 1amm s TYR 144 Cb -0.12 -0.28 -0.09 0.00 -0.40 0.00 0.00 41.96 41.08 1amm s TYR 144 CO 0.15 -0.23 1.38 -1.17 -1.57 0.00 0.00 175.55 174.10 1amm s LEU 145 N 2.05 4.39 -0.31 -1.29 2.96 -1.26 -0.71 118.68 124.51 1amm s LEU 145 Ca 0.01 2.42 -0.00 0.00 -0.22 0.00 0.00 54.13 56.34 1amm s LEU 145 Cb -0.12 -3.60 0.06 0.00 0.50 0.00 0.00 46.19 43.03 1amm s LEU 145 CO -0.05 -0.62 -0.00 -0.76 -1.32 0.00 0.00 176.35 173.60 1amm s LEU 146 N 0.41 4.01 0.47 -0.68 1.43 0.72 -4.93 118.68 120.11 1amm s LEU 146 Ca 0.61 -1.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.25 1amm s LEU 146 Cb -0.38 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.17 1amm s LEU 146 CO 0.35 -0.28 0.69 -0.13 0.23 0.00 0.00 176.35 177.21 1amm s ARG 147 N 1.17 2.90 0.22 1.70 0.52 -1.26 -0.72 118.95 123.47 1amm s ARG 147 Ca -0.03 -0.63 -0.32 0.00 -0.52 0.00 0.00 55.73 54.23 1amm s ARG 147 Cb -0.20 -2.56 -0.14 0.00 0.52 0.00 0.00 34.95 32.57 1amm s ARG 147 CO -0.03 -0.38 1.36 -2.30 0.02 0.00 0.00 175.30 173.97 1amm n PRO 148 N -2.13 1.84 0.00 3.54 -0.02 -1.25 -4.75 135.00 132.23 1amm n PRO 148 Ca 0.03 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1amm n PRO 148 Cb 0.58 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1amm n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1amm n GLY 149 N 2.20 2.50 3.75 -1.23 0.00 -0.31 -4.97 105.19 107.13 1amm n GLY 149 Ca 0.13 -1.22 -0.39 0.00 0.00 0.00 0.00 46.02 44.53 1amm n GLY 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1amm s GLU 150 N -2.03 4.39 -0.45 1.61 2.02 -1.26 -0.38 118.70 122.59 1amm s GLU 150 Ca 0.00 0.85 0.02 0.00 0.02 0.00 0.00 54.97 55.86 1amm s GLU 150 Cb 0.00 -3.36 0.13 0.00 0.10 0.00 0.00 34.13 31.01 1amm s GLU 150 CO 0.00 0.32 0.24 0.71 0.02 0.00 0.00 175.26 176.55 1amm s TYR 151 N -0.08 2.15 -0.82 1.61 1.51 0.18 -4.97 117.35 116.93 1amm s TYR 151 Ca 0.34 -2.52 0.25 0.00 -1.01 0.00 0.00 57.07 54.13 1amm s TYR 151 Cb -0.19 -2.02 0.94 0.00 -0.11 0.00 0.00 41.96 40.59 1amm s TYR 151 CO 0.19 -0.78 1.76 0.54 -1.11 0.00 0.00 175.55 176.15 1amm n ARG 152 N 3.52 0.12 -3.67 -0.62 5.12 -1.26 -0.78 116.66 119.09 1amm n ARG 152 Ca 0.08 0.19 -0.10 0.00 -1.93 0.00 0.00 57.85 56.09 1amm n ARG 152 Cb 0.34 -1.67 -0.03 0.00 -1.16 0.00 0.00 32.46 29.94 1amm n ARG 152 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1amm s ARG 153 N -3.09 1.37 0.53 5.56 1.70 -1.26 -0.60 118.95 123.15 1amm s ARG 153 Ca 0.10 -0.77 0.24 0.00 -0.47 0.00 0.00 55.73 54.83 1amm s ARG 153 Cb 0.13 0.54 1.47 0.00 -0.57 0.00 0.00 34.95 36.53 1amm s ARG 153 CO 0.48 -0.59 2.13 0.10 -1.08 0.00 0.00 175.30 176.34 1amm h TYR 154 N 2.15 0.00 0.00 5.89 -0.00 -1.88 0.72 116.97 123.85 1amm h TYR 154 Ca -0.29 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.42 1amm h TYR 154 Cb 1.27 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.00 1amm h TYR 154 CO 0.33 0.08 -0.07 -0.07 -0.00 0.00 0.00 178.16 178.43 1amm h LEU 155 N 0.00 0.00 -1.62 0.10 -0.00 -1.92 -1.58 115.31 110.29 1amm h LEU 155 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1amm h LEU 155 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.84 1amm h LEU 155 CO 0.01 0.07 -0.13 0.44 -0.00 0.00 0.00 178.44 178.83 1amm h ASP 156 N 0.00 0.00 -0.63 -0.43 3.32 -1.21 -0.88 116.42 116.59 1amm h ASP 156 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1amm h ASP 156 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1amm h ASP 156 CO 0.01 0.13 0.00 -2.67 -1.72 0.00 0.00 179.24 174.99 1amm n TRP 157 N -3.41 0.83 -0.55 4.55 2.14 -0.61 -4.96 117.44 115.43 1amm n TRP 157 Ca -0.01 -0.44 0.00 0.00 2.07 0.00 0.00 57.50 59.12 1amm n TRP 157 Cb 0.31 -0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.81 1amm n TRP 157 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1amm n GLY 158 N 1.53 0.74 3.91 -1.67 0.00 -0.34 -4.72 105.19 104.65 1amm n GLY 158 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 1amm n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1amm s ALA 159 N -2.37 3.00 -0.99 4.61 0.00 -1.14 -4.99 121.76 119.87 1amm s ALA 159 Ca 0.00 -0.67 0.22 0.00 0.00 0.00 0.00 51.96 51.51 1amm s ALA 159 Cb 0.00 -2.79 -0.12 0.00 0.00 0.00 0.00 23.12 20.21 1amm s ALA 159 CO 0.00 -1.25 0.98 -0.12 0.00 0.00 0.00 175.76 175.37 1amm n MET 160 N -2.97 0.01 -3.88 0.00 1.56 -1.26 -4.49 117.12 106.09 1amm n MET 160 Ca 0.07 -0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.41 1amm n MET 160 Cb 0.59 -1.50 -0.01 0.00 2.15 0.00 0.00 33.22 34.45 1amm n MET 160 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1amm s ASN 161 N -3.02 -0.02 0.00 6.12 2.20 -1.26 -5.04 114.94 113.91 1amm s ASN 161 Ca 0.08 -0.95 0.20 0.00 -0.94 0.00 0.00 52.86 51.25 1amm s ASN 161 Cb 0.16 0.75 0.58 0.00 -2.00 0.00 0.00 41.25 40.74 1amm s ASN 161 CO 0.84 -1.45 1.45 0.00 -2.94 0.00 0.00 177.10 175.00 1amm n ALA 162 N -0.49 2.47 -1.96 3.54 0.00 -1.26 -4.93 120.51 117.88 1amm n ALA 162 Ca -0.05 -0.71 -0.42 0.00 0.00 0.00 0.00 53.44 52.26 1amm n ALA 162 Cb 0.60 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 1amm n ALA 162 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1amm s LYS 163 N -1.61 4.20 -0.12 0.00 1.02 -1.26 -1.24 119.74 120.73 1amm s LYS 163 Ca 0.33 2.29 -0.03 0.00 0.02 0.00 0.00 55.97 58.58 1amm s LYS 163 Cb 0.18 -3.65 0.05 0.00 -0.52 0.00 0.00 37.83 33.89 1amm s LYS 163 CO 0.26 -0.74 0.05 0.08 -0.92 0.00 0.00 175.35 174.08 1amm s VAL 164 N 2.80 0.18 -0.21 3.17 1.01 -0.78 -4.41 120.40 122.16 1amm s VAL 164 Ca 0.73 -0.06 0.12 0.00 0.00 0.00 0.00 61.98 62.77 1amm s VAL 164 Cb -0.38 -0.59 -0.22 0.00 0.00 0.00 0.00 36.38 35.19 1amm s VAL 164 CO 0.32 -0.02 -0.01 0.61 0.00 0.00 0.00 175.10 175.99 1amm n GLY 165 N 5.19 -0.77 3.40 4.51 0.00 0.30 -4.44 105.19 113.40 1amm n GLY 165 Ca -0.07 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 1amm n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1amm s SER 166 N -5.90 -0.51 -0.02 1.61 1.04 -1.10 -0.88 113.70 107.94 1amm s SER 166 Ca -0.19 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.23 1amm s SER 166 Cb 0.07 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.77 1amm s SER 166 CO 0.75 -0.92 -0.02 -0.76 0.98 0.00 0.00 173.24 173.26 1amm s LEU 167 N -2.65 1.52 -0.05 2.42 1.43 -0.28 -1.25 118.68 119.81 1amm s LEU 167 Ca 0.01 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 1amm s LEU 167 Cb -0.00 -0.26 -0.00 0.00 0.03 0.00 0.00 46.19 45.96 1amm s LEU 167 CO -0.11 -0.03 -0.17 -0.60 0.23 0.00 0.00 176.35 175.66 1amm s ARG 168 N 0.57 1.89 0.39 1.70 3.52 -0.04 -0.44 118.95 126.54 1amm s ARG 168 Ca -0.06 -0.62 -0.25 0.00 -0.13 0.00 0.00 55.73 54.68 1amm s ARG 168 Cb -0.09 -1.61 -0.09 0.00 -1.56 0.00 0.00 34.95 31.60 1amm s ARG 168 CO -0.01 0.22 1.08 1.03 -0.81 0.00 0.00 175.30 176.81 1amm s ARG 169 N 0.13 4.18 -0.78 5.12 0.52 -1.26 -0.07 118.95 126.78 1amm s ARG 169 Ca -0.06 1.61 -0.21 0.00 -0.52 0.00 0.00 55.73 56.55 1amm s ARG 169 Cb -0.13 -2.63 0.10 0.00 0.52 0.00 0.00 34.95 32.81 1amm s ARG 169 CO 0.03 -0.15 1.04 0.08 0.02 0.00 0.00 175.30 176.32 1amm s VAL 170 N -1.56 4.50 -0.02 3.52 1.01 0.56 -4.84 120.40 123.56 1amm s VAL 170 Ca 0.56 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1amm s VAL 170 Cb -0.25 -4.73 -0.01 0.00 0.00 0.00 0.00 36.38 31.39 1amm s VAL 170 CO 0.31 -1.48 -0.17 -0.04 0.00 0.00 0.00 175.10 173.72 1amm s MET 171 N 3.46 1.50 0.84 2.72 1.00 -1.26 -4.60 119.30 122.96 1amm s MET 171 Ca 0.27 -0.61 -0.11 0.00 0.00 0.00 0.00 55.69 55.24 1amm s MET 171 Cb -0.12 -1.40 0.10 0.00 0.00 0.00 0.00 34.83 33.41 1amm s MET 171 CO 0.01 0.33 1.09 0.34 0.00 0.00 0.00 175.02 176.79 1amm s ASP 172 N -0.26 3.92 0.57 3.03 -1.08 -1.26 -4.89 116.67 116.71 1amm s ASP 172 Ca 0.03 1.71 0.27 0.00 -0.52 0.00 0.00 52.55 54.04 1amm s ASP 172 Cb -0.08 -2.38 1.57 0.00 -1.46 0.00 0.00 42.92 40.57 1amm s ASP 172 CO 0.00 -2.39 2.07 -0.26 0.52 0.00 0.00 175.17 175.11 1amm h PHE 173 N -1.38 0.00 0.00 -5.34 0.04 -1.98 -3.53 116.94 104.75 1amm h PHE 173 Ca -0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 1amm h PHE 173 Cb 1.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.41 1amm h PHE 173 CO 0.51 0.00 0.00 0.66 -0.60 0.00 0.00 178.31 178.88