#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kys h GLU 5 N 0.00 0.09 -0.05 1.61 4.81 -1.90 -1.40 114.58 117.75 1kys h GLU 5 Ca 0.00 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1kys h GLU 5 Cb 0.00 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1kys h GLU 5 CO 0.00 0.06 0.06 0.93 -0.73 0.00 0.00 179.01 179.33 1kys h GLU 6 N 0.09 0.00 0.00 1.92 5.08 -1.98 -1.97 114.58 117.72 1kys h GLU 6 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1kys h GLU 6 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1kys h GLU 6 CO -0.01 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.28 1kys n LEU 7 N -3.81 0.00 -0.20 1.33 4.77 -0.53 -3.66 117.00 114.90 1kys n LEU 7 Ca -0.02 0.43 0.06 0.00 -0.03 0.00 0.00 56.01 56.45 1kys n LEU 7 Cb 0.15 -0.43 0.10 0.00 -2.33 0.00 0.00 43.42 40.91 1kys n LEU 7 CO 0.27 -0.06 0.57 0.49 -1.33 0.00 0.00 177.39 177.32 1kys n PHE 8 N -1.43 0.16 0.31 -1.77 3.01 -0.74 -4.67 117.46 112.33 1kys n PHE 8 Ca 0.08 -0.75 0.15 0.00 1.01 0.00 0.00 57.45 57.94 1kys n PHE 8 Cb 0.26 -0.12 0.50 0.00 -0.01 0.00 0.00 39.48 40.11 1kys n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1kys h THR 9 N 0.42 0.00 -3.40 4.37 1.35 -1.69 -3.37 112.91 110.58 1kys h THR 9 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1kys h THR 9 Cb 0.84 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1kys h THR 9 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1kys n GLY 10 N 0.41 5.31 3.69 5.82 0.00 -1.26 -4.81 105.19 114.36 1kys n GLY 10 Ca 0.02 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 1kys n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kys s VAL 11 N -0.49 4.61 -0.12 1.61 1.01 -1.26 -4.52 120.40 121.24 1kys s VAL 11 Ca 0.00 1.89 0.03 0.00 0.00 0.00 0.00 61.98 63.90 1kys s VAL 11 Cb 0.00 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.16 1kys s VAL 11 CO 0.00 0.03 -0.21 -0.69 0.00 0.00 0.00 175.10 174.23 1kys s VAL 12 N 1.88 2.33 0.43 2.92 1.01 -0.05 -4.95 120.40 123.96 1kys s VAL 12 Ca 0.51 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 1kys s VAL 12 Cb -0.21 -1.92 -0.08 0.00 0.00 0.00 0.00 36.38 34.17 1kys s VAL 12 CO 0.21 0.55 1.15 -2.16 0.00 0.00 0.00 175.10 174.84 1kys s PRO 13 N 0.44 3.91 -0.03 2.72 0.05 -1.26 -0.71 135.00 140.12 1kys s PRO 13 Ca -0.15 1.75 0.06 0.00 0.05 0.00 0.00 61.00 62.71 1kys s PRO 13 Cb -0.17 -2.51 -0.01 0.00 0.05 0.00 0.00 34.50 31.86 1kys s PRO 13 CO 0.06 -0.42 -0.20 0.42 0.05 0.00 0.00 177.00 176.91 1kys s ILE 14 N -1.53 1.59 -0.06 0.56 1.01 0.03 -1.37 121.20 121.43 1kys s ILE 14 Ca 0.61 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 60.46 1kys s ILE 14 Cb -0.28 -1.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.85 1kys s ILE 14 CO 0.35 0.45 -0.19 -0.76 0.00 0.00 0.00 174.94 174.79 1kys s LEU 15 N -0.32 1.93 -0.06 2.97 1.43 -0.40 -1.37 118.68 122.86 1kys s LEU 15 Ca 0.04 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 1kys s LEU 15 Cb -0.09 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 45.04 1kys s LEU 15 CO 0.00 0.15 -0.17 -0.69 0.23 0.00 0.00 176.35 175.88 1kys s VAL 16 N 0.16 1.43 -0.09 -1.59 1.01 0.19 -1.17 120.40 120.34 1kys s VAL 16 Ca -0.08 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 1kys s VAL 16 Cb -0.14 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.02 1kys s VAL 16 CO 0.04 0.42 -0.05 -1.61 0.00 0.00 0.00 175.10 173.89 1kys s GLU 17 N 0.30 1.18 -0.05 2.72 0.41 -0.41 0.02 118.70 122.87 1kys s GLU 17 Ca -0.10 -0.14 0.04 0.00 -0.41 0.00 0.00 54.97 54.37 1kys s GLU 17 Cb -0.14 -1.30 -0.00 0.00 -1.78 0.00 0.00 34.13 30.91 1kys s GLU 17 CO 0.04 -0.23 -0.17 -1.17 -0.49 0.00 0.00 175.26 173.24 1kys s LEU 18 N 1.61 1.90 -0.14 1.80 0.20 0.13 -0.80 118.68 123.39 1kys s LEU 18 Ca 0.02 -0.35 -0.00 0.00 0.69 0.00 0.00 54.13 54.49 1kys s LEU 18 Cb -0.13 -0.95 -0.01 0.00 -0.43 0.00 0.00 46.19 44.67 1kys s LEU 18 CO -0.05 0.14 -0.13 -1.81 -0.29 0.00 0.00 176.35 174.20 1kys s ASP 19 N 0.10 3.93 0.14 3.68 1.01 -0.47 -1.19 116.67 123.86 1kys s ASP 19 Ca -0.05 -0.36 0.02 0.00 0.71 0.00 0.00 52.55 52.86 1kys s ASP 19 Cb -0.12 -1.60 -0.04 0.00 1.01 0.00 0.00 42.92 42.17 1kys s ASP 19 CO 0.02 0.14 -0.03 -0.83 0.21 0.00 0.00 175.17 174.69 1kys s GLY 20 N 0.48 1.03 -0.21 0.21 0.00 0.18 -1.03 107.32 107.98 1kys s GLY 20 Ca -0.10 -1.49 -0.04 0.00 0.00 0.00 0.00 44.72 43.10 1kys s GLY 20 CO 0.04 -1.50 0.27 -0.35 0.00 0.00 0.00 173.10 171.57 1kys s ASP 21 N -3.12 0.97 -0.24 1.64 -1.08 -0.61 -1.40 116.67 112.84 1kys s ASP 21 Ca 0.19 -0.03 0.02 0.00 -0.52 0.00 0.00 52.55 52.21 1kys s ASP 21 Cb 0.06 0.62 0.05 0.00 -1.46 0.00 0.00 42.92 42.19 1kys s ASP 21 CO 0.00 -0.31 -0.13 -0.69 0.52 0.00 0.00 175.17 174.56 1kys s VAL 22 N 2.40 2.13 -1.45 1.11 1.01 -0.53 -0.55 120.40 124.52 1kys s VAL 22 Ca 0.08 -1.45 -0.11 0.00 0.00 0.00 0.00 61.98 60.50 1kys s VAL 22 Cb -0.15 -2.16 0.08 0.00 0.00 0.00 0.00 36.38 34.14 1kys s VAL 22 CO -0.13 0.11 0.72 0.59 0.00 0.00 0.00 175.10 176.39 1kys n ASN 23 N 4.48 -4.40 0.00 3.32 4.13 -0.49 -0.53 115.26 121.78 1kys n ASN 23 Ca -0.16 -0.58 0.00 0.00 1.68 0.00 0.00 54.58 55.52 1kys n ASN 23 Cb 0.44 -3.57 0.00 0.00 -1.54 0.00 0.00 39.78 35.11 1kys n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kys n GLY 24 N -1.43 1.40 3.50 7.41 0.00 -1.26 -4.99 105.19 109.81 1kys n GLY 24 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1kys n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kys s HIS 25 N -2.78 2.74 0.17 1.61 3.76 0.31 -5.03 115.29 116.08 1kys s HIS 25 Ca 0.00 -0.21 -0.19 0.00 -0.15 0.00 0.00 55.06 54.51 1kys s HIS 25 Cb 0.00 -4.14 -0.08 0.00 1.11 0.00 0.00 32.58 29.47 1kys s HIS 25 CO 0.00 -1.46 0.66 0.15 -0.85 0.00 0.00 174.74 173.23 1kys s LYS 26 N 4.01 4.20 0.12 1.40 1.02 -1.26 -1.45 119.74 127.78 1kys s LYS 26 Ca 0.27 0.77 -0.24 0.00 0.02 0.00 0.00 55.97 56.79 1kys s LYS 26 Cb -0.14 -2.99 0.08 0.00 -0.52 0.00 0.00 37.83 34.26 1kys s LYS 26 CO 0.16 0.48 0.66 -0.59 -0.92 0.00 0.00 175.35 175.13 1kys s PHE 27 N -1.40 -0.51 0.03 3.18 -0.71 -0.49 -4.98 117.98 113.10 1kys s PHE 27 Ca 0.38 0.33 0.04 0.00 -1.04 0.00 0.00 56.93 56.65 1kys s PHE 27 Cb -0.17 0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 42.17 1kys s PHE 27 CO 0.21 -0.79 -0.12 -1.12 -1.34 0.00 0.00 175.22 172.05 1kys s SER 28 N -2.65 1.46 -0.02 1.98 0.01 -1.26 0.47 113.70 113.69 1kys s SER 28 Ca 0.01 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.89 1kys s SER 28 Cb -0.01 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.13 1kys s SER 28 CO -0.12 0.02 -0.09 -0.69 0.41 0.00 0.00 173.24 172.78 1kys s VAL 29 N -0.78 0.74 -0.08 3.43 1.01 -0.33 -0.89 120.40 123.49 1kys s VAL 29 Ca 0.01 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1kys s VAL 29 Cb -0.07 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.65 1kys s VAL 29 CO 0.01 0.23 -0.21 -0.44 0.00 0.00 0.00 175.10 174.69 1kys s SER 30 N 0.19 2.74 0.12 3.32 0.01 -0.48 -0.69 113.70 118.92 1kys s SER 30 Ca -0.03 -0.49 0.08 0.00 1.31 0.00 0.00 55.95 56.83 1kys s SER 30 Cb -0.08 -1.17 -0.04 0.00 0.21 0.00 0.00 66.02 64.94 1kys s SER 30 CO 0.00 0.14 -0.20 -0.83 0.41 0.00 0.00 173.24 172.76 1kys s GLY 31 N 0.34 1.29 -0.03 3.44 0.00 0.10 -0.16 107.32 112.31 1kys s GLY 31 Ca -0.16 -1.33 -0.04 0.00 0.00 0.00 0.00 44.72 43.19 1kys s GLY 31 CO 0.07 -1.35 0.10 -0.54 0.00 0.00 0.00 173.10 171.38 1kys s GLU 32 N -2.21 0.22 0.00 2.90 2.02 -0.72 -0.64 118.70 120.26 1kys s GLU 32 Ca 0.10 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.05 1kys s GLU 32 Cb -0.09 0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.24 1kys s GLU 32 CO 0.05 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.70 1kys n GLY 33 N 2.57 -0.73 3.21 -1.39 0.00 -0.47 -1.24 105.19 107.13 1kys n GLY 33 Ca -0.16 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 1kys n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1kys s GLU 34 N -0.41 0.78 0.09 1.61 -1.05 -0.34 -0.79 118.70 118.59 1kys s GLU 34 Ca 0.00 -0.67 0.07 0.00 -0.15 0.00 0.00 54.97 54.22 1kys s GLU 34 Cb 0.00 0.33 -0.03 0.00 -0.44 0.00 0.00 34.13 33.99 1kys s GLU 34 CO 0.00 -0.25 -0.19 0.20 0.95 0.00 0.00 175.26 175.98 1kys s GLY 35 N -2.30 1.12 -0.38 -3.83 0.00 0.11 -1.48 107.32 100.55 1kys s GLY 35 Ca -0.02 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.54 1kys s GLY 35 CO -0.06 -1.17 0.23 -0.35 0.00 0.00 0.00 173.10 171.75 1kys s ASP 36 N -1.83 3.13 0.57 1.64 -1.08 0.08 -0.88 116.67 118.31 1kys s ASP 36 Ca 0.04 -2.37 0.33 0.00 -0.52 0.00 0.00 52.55 50.03 1kys s ASP 36 Cb -0.10 -0.61 1.75 0.00 -1.46 0.00 0.00 42.92 42.50 1kys s ASP 36 CO 0.04 -0.29 2.17 0.00 0.52 0.00 0.00 175.17 177.60 1kys h ALA 37 N 6.86 1.21 -0.70 3.66 0.00 -1.74 -0.74 119.26 127.81 1kys h ALA 37 Ca 0.05 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.06 1kys h ALA 37 Cb 0.95 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1kys h ALA 37 CO 0.34 0.07 0.47 1.15 0.00 0.00 0.00 179.25 181.28 1kys h THR 38 N 0.00 0.78 -0.18 0.00 2.02 -1.88 -2.01 112.91 111.65 1kys h THR 38 Ca -0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1kys h THR 38 Cb 0.22 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1kys h THR 38 CO 0.01 0.06 0.00 -1.22 0.37 0.00 0.00 175.52 174.73 1kys n TYR 39 N -4.45 0.24 -2.54 3.16 4.01 -0.33 -4.94 117.16 112.31 1kys n TYR 39 Ca 0.13 -0.41 -0.20 0.00 -0.16 0.00 0.00 57.90 57.26 1kys n TYR 39 Cb 0.55 -0.03 -0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1kys n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kys n GLY 40 N 0.20 -0.50 3.48 2.72 0.00 -0.75 -4.76 105.19 105.57 1kys n GLY 40 Ca 0.07 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1kys n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kys s LYS 41 N -5.19 3.01 -0.03 1.61 2.20 -0.88 -0.51 119.74 119.95 1kys s LYS 41 Ca 0.06 -0.63 0.03 0.00 -0.36 0.00 0.00 55.97 55.08 1kys s LYS 41 Cb -0.03 -2.59 -0.00 0.00 -1.51 0.00 0.00 37.83 33.70 1kys s LYS 41 CO 0.08 0.45 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.90 1kys s LEU 42 N -0.27 1.87 -0.08 5.43 1.43 0.02 -0.74 118.68 126.34 1kys s LEU 42 Ca 0.03 -0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1kys s LEU 42 Cb -0.13 -0.66 0.03 0.00 0.03 0.00 0.00 46.19 45.46 1kys s LEU 42 CO 0.03 0.10 -0.03 0.42 0.23 0.00 0.00 176.35 177.10 1kys s THR 43 N 0.05 0.62 0.02 5.49 -4.23 -0.55 -1.08 115.64 115.96 1kys s THR 43 Ca -0.01 -0.06 -0.02 0.00 -1.18 0.00 0.00 61.69 60.41 1kys s THR 43 Cb -0.08 -0.70 -0.02 0.00 1.34 0.00 0.00 72.50 73.04 1kys s THR 43 CO 0.01 0.29 0.02 -0.76 -0.54 0.00 0.00 174.62 173.64 1kys s LEU 44 N 1.64 2.06 -0.11 4.79 1.43 -0.13 -1.20 118.68 127.17 1kys s LEU 44 Ca 0.01 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1kys s LEU 44 Cb -0.13 0.30 0.01 0.00 0.03 0.00 0.00 46.19 46.39 1kys s LEU 44 CO -0.05 -0.37 -0.21 -0.75 0.23 0.00 0.00 176.35 175.21 1kys s LYS 45 N -1.80 2.77 -0.06 1.70 2.20 -0.38 -0.70 119.74 123.47 1kys s LYS 45 Ca -0.12 -0.78 0.02 0.00 -0.36 0.00 0.00 55.97 54.73 1kys s LYS 45 Cb -0.07 -2.17 -0.03 0.00 -1.51 0.00 0.00 37.83 34.06 1kys s LYS 45 CO -0.02 0.09 -0.11 -0.06 -0.36 0.00 0.00 175.35 174.89 1kys s PHE 46 N 0.57 2.81 -0.05 4.03 0.40 0.39 -1.76 117.98 124.36 1kys s PHE 46 Ca -0.14 -0.11 0.05 0.00 -0.60 0.00 0.00 56.93 56.13 1kys s PHE 46 Cb -0.17 -1.68 -0.00 0.00 0.51 0.00 0.00 43.02 41.68 1kys s PHE 46 CO 0.05 0.23 -0.20 0.42 0.70 0.00 0.00 175.22 176.41 1kys s ILE 47 N -0.69 1.68 -0.45 0.64 1.01 0.77 -1.12 121.20 123.04 1kys s ILE 47 Ca 0.10 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.62 1kys s ILE 47 Cb -0.11 -1.44 0.02 0.00 0.01 0.00 0.00 42.46 40.94 1kys s ILE 47 CO 0.01 0.48 1.29 0.00 0.00 0.00 0.00 174.94 176.71 1kys n THR 49 N 6.97 0.00 0.59 0.00 -2.24 -0.07 -3.52 114.28 116.02 1kys n THR 49 Ca 0.14 -0.05 0.07 0.00 -2.27 0.00 0.00 64.05 61.94 1kys n THR 49 Cb 0.49 -0.30 0.02 0.00 -2.10 0.00 0.00 70.33 68.44 1kys n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1kys n THR 50 N -0.82 0.00 0.00 4.28 -2.24 -1.25 -5.00 114.28 109.24 1kys n THR 50 Ca 0.22 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1kys n THR 50 Cb 0.17 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 1kys n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kys n GLY 51 N 0.94 0.27 3.73 3.38 0.00 -1.23 -5.05 105.19 107.23 1kys n GLY 51 Ca 0.07 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 1kys n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kys s LYS 52 N -0.39 4.73 0.11 1.61 2.20 -1.26 -4.59 119.74 122.14 1kys s LYS 52 Ca 0.00 1.46 -0.31 0.00 -0.36 0.00 0.00 55.97 56.76 1kys s LYS 52 Cb 0.00 -3.36 -0.07 0.00 -1.51 0.00 0.00 37.83 32.89 1kys s LYS 52 CO 0.00 0.28 1.29 -1.17 -0.36 0.00 0.00 175.35 175.38 1kys s LEU 53 N -0.25 4.38 0.00 5.43 2.96 -1.26 -4.91 118.68 125.04 1kys s LEU 53 Ca 0.46 2.20 0.29 0.00 -0.22 0.00 0.00 54.13 56.86 1kys s LEU 53 Cb -0.24 -3.59 1.26 0.00 0.50 0.00 0.00 46.19 44.12 1kys s LEU 53 CO 0.30 -0.54 1.86 -0.81 -1.32 0.00 0.00 176.35 175.85 1kys n PRO 54 N 3.68 1.29 -4.34 0.98 -0.04 -1.26 -4.80 135.00 130.50 1kys n PRO 54 Ca 0.09 -0.58 -0.18 0.00 -0.04 0.00 0.00 63.50 62.79 1kys n PRO 54 Cb 0.44 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 1kys n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1kys s VAL 55 N -2.11 1.65 0.32 0.52 -7.23 -1.26 -4.65 120.40 107.63 1kys s VAL 55 Ca 0.38 -2.18 -0.29 0.00 -1.81 0.00 0.00 61.98 58.08 1kys s VAL 55 Cb 0.21 -2.08 -0.10 0.00 0.56 0.00 0.00 36.38 34.97 1kys s VAL 55 CO 0.38 -0.57 1.32 -2.84 -0.31 0.00 0.00 175.10 173.08 1kys s PRO 56 N -3.67 4.34 0.26 4.82 0.02 -1.26 -4.93 135.00 134.59 1kys s PRO 56 Ca 0.23 2.23 -0.01 0.00 0.02 0.00 0.00 61.00 63.46 1kys s PRO 56 Cb 0.00 -3.08 0.53 0.00 0.02 0.00 0.00 34.50 31.98 1kys s PRO 56 CO 0.07 -0.22 1.75 -1.49 -0.33 0.00 0.00 177.00 176.78 1kys h TRP 57 N 3.60 0.71 -0.22 6.54 4.06 -1.96 -1.11 115.95 127.57 1kys h TRP 57 Ca -0.49 0.03 0.06 0.00 2.06 0.00 0.00 58.89 60.56 1kys h TRP 57 Cb 1.23 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 29.19 1kys h TRP 57 CO 0.56 0.14 0.20 -1.35 -3.56 0.00 0.00 178.44 174.44 1kys h PRO 58 N 0.57 0.00 0.00 0.49 0.11 -1.88 -0.59 132.00 130.71 1kys h PRO 58 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1kys h PRO 58 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1kys h PRO 58 CO -0.38 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.66 1kys n THR 59 N -4.02 0.71 0.77 -1.15 -2.24 -0.42 -2.82 114.28 105.11 1kys n THR 59 Ca 0.02 0.17 0.08 0.00 -2.27 0.00 0.00 64.05 62.06 1kys n THR 59 Cb 0.34 -0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 67.65 1kys n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1kys n LEU 60 N -1.53 1.16 -0.00 3.22 4.77 -0.23 -4.66 117.00 119.72 1kys n LEU 60 Ca 0.04 -0.61 -0.09 0.00 -0.03 0.00 0.00 56.01 55.32 1kys n LEU 60 Cb 0.22 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1kys n LEU 60 CO 0.18 0.25 0.80 0.58 -1.33 0.00 0.00 177.39 177.86 1kys h VAL 61 N 0.79 0.72 0.00 4.08 2.07 -1.50 -0.44 116.25 121.98 1kys h VAL 61 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1kys h VAL 61 Cb 0.47 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1kys h VAL 61 CO 0.00 0.00 -0.31 0.71 0.02 0.00 0.00 177.57 177.99 1kys h THR 62 N -0.11 1.18 -0.13 2.57 1.35 -1.83 -2.90 112.91 113.05 1kys h THR 62 Ca 0.08 -1.08 -0.10 0.00 -0.55 0.00 0.00 66.41 64.76 1kys h THR 62 Cb 0.22 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1kys h THR 62 CO -0.18 0.30 -0.29 0.74 -0.25 0.00 0.00 175.52 175.84 1kys h THR 63 N 0.00 1.37 0.00 6.82 2.02 -1.68 -3.45 112.91 117.99 1kys h THR 63 Ca -0.00 -1.58 -0.16 0.00 0.77 0.00 0.00 66.41 65.44 1kys h THR 63 Cb 0.56 2.06 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 1kys h THR 63 CO 0.04 0.47 0.74 0.18 0.37 0.00 0.00 175.52 177.32 1kys n LEU 64 N -4.41 3.05 0.00 2.58 4.77 -0.24 -5.04 117.00 117.71 1kys n LEU 64 Ca -0.07 -2.04 0.00 0.00 -0.03 0.00 0.00 56.01 53.87 1kys n LEU 64 Cb 0.47 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1kys n LEU 64 CO 0.42 0.51 0.00 1.33 -1.33 0.00 0.00 177.39 178.32 1kys n VAL 68 N 3.21 0.00 0.62 4.08 0.24 -1.26 -5.00 118.33 120.22 1kys n VAL 68 Ca 0.26 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.62 1kys n VAL 68 Cb 0.35 0.00 0.32 0.00 -1.47 0.00 0.00 33.84 33.04 1kys n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kys n GLN 69 N 0.00 0.24 0.16 7.34 6.02 -1.26 -1.08 117.38 128.80 1kys n GLN 69 Ca 0.00 0.12 0.13 0.00 -0.01 0.00 0.00 57.00 57.23 1kys n GLN 69 Cb 0.00 -1.50 0.56 0.00 1.02 0.00 0.00 30.24 30.32 1kys n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1kys n PHE 71 N -2.36 0.28 -1.83 0.00 3.72 -0.24 -4.73 117.46 112.30 1kys n PHE 71 Ca 0.01 -0.14 -0.39 0.00 -0.05 0.00 0.00 57.45 56.88 1kys n PHE 71 Cb 0.19 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.75 1kys n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1kys s SER 72 N -1.46 5.75 -0.40 4.37 0.01 -0.89 -4.02 113.70 117.05 1kys s SER 72 Ca 0.31 2.83 -0.26 0.00 1.31 0.00 0.00 55.95 60.14 1kys s SER 72 Cb 0.17 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.77 1kys s SER 72 CO 0.25 -1.25 0.94 -0.60 0.41 0.00 0.00 173.24 172.99 1kys s ARG 73 N -2.57 3.74 -0.27 12.44 3.52 -0.15 -4.78 118.95 130.88 1kys s ARG 73 Ca 0.64 0.45 -0.16 0.00 -0.13 0.00 0.00 55.73 56.53 1kys s ARG 73 Cb -0.42 -3.85 -0.03 0.00 -1.56 0.00 0.00 34.95 29.09 1kys s ARG 73 CO 0.52 -1.06 0.43 0.71 -0.81 0.00 0.00 175.30 175.08 1kys s TYR 74 N 3.64 3.25 0.60 5.12 1.51 -1.26 -0.83 117.35 129.38 1kys s TYR 74 Ca 0.39 0.50 -0.18 0.00 -1.01 0.00 0.00 57.07 56.76 1kys s TYR 74 Cb -0.11 -2.63 -0.05 0.00 -0.11 0.00 0.00 41.96 39.06 1kys s TYR 74 CO 0.22 -0.25 0.94 -2.30 -1.11 0.00 0.00 175.55 173.05 1kys n PRO 75 N 5.41 0.87 -0.34 -1.71 -0.02 -1.26 -4.72 135.00 133.22 1kys n PRO 75 Ca -0.07 0.34 0.14 0.00 -2.02 0.00 0.00 63.50 61.89 1kys n PRO 75 Cb 0.50 -2.14 0.35 0.00 -0.02 0.00 0.00 33.50 32.20 1kys n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1kys h ASP 76 N 0.47 0.73 0.63 2.55 3.58 -2.00 0.28 116.42 122.65 1kys h ASP 76 Ca -0.48 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.06 1kys h ASP 76 Cb 1.37 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.38 1kys h ASP 76 CO 0.51 0.24 0.00 0.00 -2.88 0.00 0.00 179.24 177.11 1kys n HIS 77 N -4.75 0.04 -0.42 0.28 1.44 -1.26 -2.44 115.22 108.12 1kys n HIS 77 Ca 0.23 0.01 0.06 0.00 -2.01 0.00 0.00 57.72 56.01 1kys n HIS 77 Cb 0.61 -0.52 0.15 0.00 0.12 0.00 0.00 29.99 30.34 1kys n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1kys n MET 78 N -1.54 2.76 0.28 -1.40 2.81 0.94 -4.77 117.12 116.20 1kys n MET 78 Ca 0.04 -2.17 0.12 0.00 -1.81 0.00 0.00 57.70 53.88 1kys n MET 78 Cb 0.21 -1.37 0.79 0.00 -0.71 0.00 0.00 33.22 32.14 1kys n MET 78 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1kys h LYS 79 N 1.36 0.00 0.00 0.03 2.10 -1.12 -0.21 116.57 118.73 1kys h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1kys h LYS 79 Cb 0.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 1kys h LYS 79 CO 0.05 0.05 0.00 0.00 -2.00 0.00 0.00 179.45 177.55 1kys n GLN 80 N -3.96 0.67 -0.28 0.07 0.00 -1.26 -2.98 117.38 109.64 1kys n GLN 80 Ca -0.03 0.02 0.07 0.00 0.00 0.00 0.00 57.00 57.06 1kys n GLN 80 Cb 0.13 -1.50 0.19 0.00 0.00 0.00 0.00 30.24 29.07 1kys n GLN 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1kys n HIS 81 N -1.07 0.64 -3.15 2.61 8.25 -0.09 -4.63 115.22 117.78 1kys n HIS 81 Ca 0.17 -0.63 -0.45 0.00 -0.26 0.00 0.00 57.72 56.54 1kys n HIS 81 Cb 0.11 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 1kys n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1kys s ASP 82 N -1.33 6.94 0.17 0.41 -1.08 -1.16 -4.54 116.67 116.08 1kys s ASP 82 Ca 0.30 -2.83 -0.14 0.00 -0.52 0.00 0.00 52.55 49.35 1kys s ASP 82 Cb 0.20 -2.30 0.05 0.00 -1.46 0.00 0.00 42.92 39.42 1kys s ASP 82 CO 0.13 -0.66 1.82 0.15 0.52 0.00 0.00 175.17 177.14 1kys h PHE 83 N 7.62 0.64 -0.52 -5.34 3.57 -1.90 -2.89 116.94 118.11 1kys h PHE 83 Ca 0.18 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.73 1kys h PHE 83 Cb 0.96 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 1kys h PHE 83 CO 1.01 0.42 0.29 0.74 -2.23 0.00 0.00 178.31 178.54 1kys h PHE 84 N 0.68 0.54 0.00 0.41 0.04 -1.88 -0.75 116.94 115.98 1kys h PHE 84 Ca 0.18 0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.84 1kys h PHE 84 Cb -0.06 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 1kys h PHE 84 CO -0.04 0.29 -0.62 0.87 -0.60 0.00 0.00 178.31 178.21 1kys h LYS 85 N 0.57 0.00 0.00 1.51 1.57 -1.85 -3.18 116.57 115.20 1kys h LYS 85 Ca 0.22 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1kys h LYS 85 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1kys h LYS 85 CO -0.12 0.62 -0.10 0.66 -0.57 0.00 0.00 179.45 179.93 1kys h SER 86 N 0.00 0.00 0.48 0.86 4.64 -0.93 -1.46 113.55 117.14 1kys h SER 86 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1kys h SER 86 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1kys h SER 86 CO 0.08 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.15 1kys n ALA 87 N -2.18 2.48 -2.36 5.18 0.00 -0.88 -4.42 120.51 118.34 1kys n ALA 87 Ca -0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 53.44 53.00 1kys n ALA 87 Cb 0.32 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 1kys n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1kys s MET 88 N -2.49 3.69 0.03 0.00 1.00 -0.55 -0.25 119.30 120.73 1kys s MET 88 Ca 0.31 0.21 0.27 0.00 0.00 0.00 0.00 55.69 56.48 1kys s MET 88 Cb 0.20 -2.52 0.96 0.00 0.00 0.00 0.00 34.83 33.47 1kys s MET 88 CO 0.44 0.08 1.75 -0.35 0.00 0.00 0.00 175.02 176.94 1kys n PRO 89 N -1.19 0.04 0.05 2.03 -0.04 -1.26 -3.83 135.00 130.80 1kys n PRO 89 Ca 0.00 0.03 0.02 0.00 -0.04 0.00 0.00 63.50 63.51 1kys n PRO 89 Cb 0.54 -1.54 0.37 0.00 -0.04 0.00 0.00 33.50 32.83 1kys n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1kys h GLU 90 N 0.00 0.42 0.00 0.54 3.07 -1.90 -2.63 114.58 114.07 1kys h GLU 90 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1kys h GLU 90 Cb 0.54 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1kys h GLU 90 CO 0.00 0.43 0.00 0.41 -1.40 0.00 0.00 179.01 178.45 1kys n GLY 91 N -1.05 -1.84 3.11 -3.84 0.00 0.65 -4.65 105.19 97.57 1kys n GLY 91 Ca 0.01 -2.06 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 1kys n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kys s TYR 92 N -0.06 0.29 -0.10 1.61 -0.85 -0.42 -0.88 117.35 116.94 1kys s TYR 92 Ca 0.00 -0.69 -0.19 0.00 -0.52 0.00 0.00 57.07 55.68 1kys s TYR 92 Cb 0.00 -0.21 -0.04 0.00 0.38 0.00 0.00 41.96 42.09 1kys s TYR 92 CO 0.00 -0.38 0.50 0.08 -1.52 0.00 0.00 175.55 174.23 1kys s VAL 93 N -3.09 5.14 -0.18 -3.49 1.01 0.58 -1.24 120.40 119.13 1kys s VAL 93 Ca -0.01 1.02 0.01 0.00 0.00 0.00 0.00 61.98 63.00 1kys s VAL 93 Cb 0.02 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1kys s VAL 93 CO -0.07 0.34 -0.19 -1.58 0.00 0.00 0.00 175.10 173.60 1kys s GLN 94 N 0.46 3.01 -0.03 2.72 0.74 -0.10 -1.51 119.66 124.95 1kys s GLN 94 Ca 0.27 -0.82 0.07 0.00 0.05 0.00 0.00 55.36 54.93 1kys s GLN 94 Cb -0.16 -2.59 -0.02 0.00 1.10 0.00 0.00 33.01 31.35 1kys s GLN 94 CO 0.12 -0.20 -0.25 -1.21 -0.55 0.00 0.00 175.29 173.19 1kys s GLU 95 N 1.28 2.27 0.07 1.67 2.02 -0.01 -0.19 118.70 125.81 1kys s GLU 95 Ca 0.05 -0.91 0.02 0.00 0.02 0.00 0.00 54.97 54.15 1kys s GLU 95 Cb -0.13 -2.09 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 1kys s GLU 95 CO -0.12 0.50 -0.08 1.03 0.02 0.00 0.00 175.26 176.61 1kys s ARG 96 N -0.47 0.70 -0.19 1.61 0.52 -0.57 -0.89 118.95 119.66 1kys s ARG 96 Ca 0.06 -1.02 -0.01 0.00 -0.52 0.00 0.00 55.73 54.24 1kys s ARG 96 Cb -0.11 -0.33 0.01 0.00 0.52 0.00 0.00 34.95 35.03 1kys s ARG 96 CO 0.01 0.04 -0.13 0.99 0.02 0.00 0.00 175.30 176.22 1kys s THR 97 N -2.28 2.66 -0.32 0.02 2.01 -0.42 -1.23 115.64 116.07 1kys s THR 97 Ca 0.00 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.22 1kys s THR 97 Cb -0.04 -2.16 0.05 0.00 0.01 0.00 0.00 72.50 70.37 1kys s THR 97 CO -0.01 0.49 0.06 -0.63 -0.69 0.00 0.00 174.62 173.84 1kys s ILE 98 N 1.26 3.31 -0.38 1.82 1.01 0.97 -1.70 121.20 127.48 1kys s ILE 98 Ca 0.03 -1.35 -0.14 0.00 0.00 0.00 0.00 60.65 59.19 1kys s ILE 98 Cb -0.14 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1kys s ILE 98 CO -0.07 -0.18 0.28 -0.44 0.00 0.00 0.00 174.94 174.52 1kys s SER 99 N 1.36 6.09 -0.16 3.58 0.01 -0.13 -0.87 113.70 123.57 1kys s SER 99 Ca -0.03 -0.68 -0.25 0.00 1.31 0.00 0.00 55.95 56.30 1kys s SER 99 Cb -0.20 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 1kys s SER 99 CO 0.00 -0.36 0.81 -0.36 0.41 0.00 0.00 173.24 173.75 1kys s PHE 100 N 1.71 3.43 0.30 2.43 0.40 -0.44 -0.88 117.98 124.93 1kys s PHE 100 Ca 0.06 1.24 -0.30 0.00 -0.60 0.00 0.00 56.93 57.33 1kys s PHE 100 Cb -0.18 -2.99 -0.12 0.00 0.51 0.00 0.00 43.02 40.24 1kys s PHE 100 CO 0.10 -0.22 1.59 1.17 0.70 0.00 0.00 175.22 178.57 1kys n LYS 101 N 5.13 2.71 -1.99 0.44 4.81 -0.24 -1.16 118.16 127.87 1kys n LYS 101 Ca 0.04 0.96 -0.19 0.00 -0.87 0.00 0.00 58.31 58.25 1kys n LYS 101 Cb 0.49 -2.74 -0.05 0.00 0.02 0.00 0.00 35.03 32.75 1kys n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1kys n ASP 102 N 2.05 -5.31 0.00 3.14 10.43 -1.26 -4.84 116.55 120.76 1kys n ASP 102 Ca 0.08 0.25 0.00 0.00 2.57 0.00 0.00 54.79 57.69 1kys n ASP 102 Cb 0.37 -4.58 0.00 0.00 1.84 0.00 0.00 41.12 38.75 1kys n ASP 102 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1kys n ASP 103 N -1.59 0.00 -2.46 -2.24 -0.08 -0.31 -4.95 116.55 104.93 1kys n ASP 103 Ca -0.21 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.01 1kys n ASP 103 Cb 0.65 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.16 1kys n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1kys n GLY 104 N 0.00 -1.47 3.00 0.27 0.00 -1.13 -4.59 105.19 101.28 1kys n GLY 104 Ca 0.00 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 1kys n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kys s ASN 105 N -2.02 0.37 -0.12 1.61 2.20 -0.62 -1.32 114.94 115.03 1kys s ASN 105 Ca 0.15 -0.54 -0.06 0.00 -0.94 0.00 0.00 52.86 51.47 1kys s ASN 105 Cb -0.01 0.09 -0.04 0.00 -2.00 0.00 0.00 41.25 39.30 1kys s ASN 105 CO 0.11 -0.30 0.12 -0.31 -2.94 0.00 0.00 177.10 173.78 1kys s TYR 106 N -1.57 3.51 -0.14 1.54 2.02 -0.05 -1.33 117.35 121.32 1kys s TYR 106 Ca -0.14 0.45 0.01 0.00 -0.37 0.00 0.00 57.07 57.03 1kys s TYR 106 Cb -0.09 -1.93 0.00 0.00 -0.40 0.00 0.00 41.96 39.54 1kys s TYR 106 CO -0.01 0.66 -0.18 0.15 -1.57 0.00 0.00 175.55 174.59 1kys s LYS 107 N -0.90 3.16 0.01 -0.62 1.02 0.47 -0.02 119.74 122.86 1kys s LYS 107 Ca 0.14 -0.79 0.07 0.00 0.02 0.00 0.00 55.97 55.41 1kys s LYS 107 Cb -0.12 -2.52 -0.02 0.00 -0.52 0.00 0.00 37.83 34.65 1kys s LYS 107 CO 0.03 0.06 -0.22 0.95 -0.92 0.00 0.00 175.35 175.25 1kys s THR 108 N 0.68 1.75 -0.08 2.17 -4.23 -0.37 -0.54 115.64 115.02 1kys s THR 108 Ca -0.09 -1.07 0.02 0.00 -1.18 0.00 0.00 61.69 59.37 1kys s THR 108 Cb -0.16 -1.48 0.02 0.00 1.34 0.00 0.00 72.50 72.21 1kys s THR 108 CO 0.02 0.38 -0.12 -0.60 -0.54 0.00 0.00 174.62 173.76 1kys s ARG 109 N -0.81 1.80 0.05 3.99 3.52 -0.52 -1.51 118.95 125.47 1kys s ARG 109 Ca 0.09 -0.42 0.03 0.00 -0.13 0.00 0.00 55.73 55.30 1kys s ARG 109 Cb -0.09 -1.55 -0.02 0.00 -1.56 0.00 0.00 34.95 31.73 1kys s ARG 109 CO 0.00 -0.04 -0.10 0.00 -0.81 0.00 0.00 175.30 174.35 1kys s ALA 110 N 0.92 0.80 -0.15 6.12 0.00 0.73 -1.02 121.76 129.16 1kys s ALA 110 Ca -0.09 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.08 1kys s ALA 110 Cb -0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 1kys s ALA 110 CO 0.00 0.07 -0.14 -1.21 0.00 0.00 0.00 175.76 174.49 1kys s GLU 111 N -1.43 3.25 -0.23 0.00 2.02 -0.10 -0.92 118.70 121.29 1kys s GLU 111 Ca -0.05 -0.73 -0.00 0.00 0.02 0.00 0.00 54.97 54.20 1kys s GLU 111 Cb -0.09 -2.64 0.03 0.00 0.10 0.00 0.00 34.13 31.52 1kys s GLU 111 CO 0.01 0.04 -0.10 0.08 0.02 0.00 0.00 175.26 175.31 1kys s VAL 112 N 0.77 2.62 0.22 2.63 1.01 -0.37 -1.42 120.40 125.86 1kys s VAL 112 Ca -0.06 -1.08 -0.22 0.00 0.00 0.00 0.00 61.98 60.63 1kys s VAL 112 Cb -0.15 -2.31 0.04 0.00 0.00 0.00 0.00 36.38 33.96 1kys s VAL 112 CO 0.01 0.24 0.66 -1.59 0.00 0.00 0.00 175.10 174.42 1kys s LYS 113 N 1.29 1.54 0.17 2.72 -2.85 -0.63 -1.30 119.74 120.67 1kys s LYS 113 Ca 0.00 -0.75 -0.28 0.00 -1.00 0.00 0.00 55.97 53.95 1kys s LYS 113 Cb -0.16 0.60 -0.08 0.00 -2.06 0.00 0.00 37.83 36.13 1kys s LYS 113 CO -0.06 -0.69 0.87 -0.06 0.10 0.00 0.00 175.35 175.51 1kys s PHE 114 N -3.84 3.90 -0.32 1.78 0.08 -0.99 -0.84 117.98 117.74 1kys s PHE 114 Ca 0.06 1.75 0.03 0.00 0.12 0.00 0.00 56.93 58.90 1kys s PHE 114 Cb -0.03 -2.90 0.09 0.00 -0.57 0.00 0.00 43.02 39.61 1kys s PHE 114 CO -0.03 0.41 0.04 -1.21 -0.10 0.00 0.00 175.22 174.34 1kys s GLU 115 N -0.84 1.42 7.91 0.44 0.41 0.28 -4.94 118.70 123.39 1kys s GLU 115 Ca 0.40 -1.66 0.00 0.00 -0.41 0.00 0.00 54.97 53.30 1kys s GLU 115 Cb -0.24 -2.95 0.00 0.00 -1.78 0.00 0.00 34.13 29.16 1kys s GLU 115 CO 0.29 -0.90 0.00 0.41 -0.49 0.00 0.00 175.26 174.57 1kys n GLY 116 N 4.38 3.62 0.23 -1.39 0.00 -1.26 -1.94 105.19 108.83 1kys n GLY 116 Ca 0.01 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.10 1kys n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kys n ASP 117 N 5.95 0.76 -4.71 1.61 5.75 -1.26 -4.89 116.55 119.76 1kys n ASP 117 Ca 0.00 -1.05 -0.35 0.00 -0.01 0.00 0.00 54.79 53.38 1kys n ASP 117 Cb 0.00 -0.01 -0.09 0.00 -1.03 0.00 0.00 41.12 39.99 1kys n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1kys s THR 118 N -2.17 5.02 -0.21 2.12 2.01 -0.82 -4.34 115.64 117.26 1kys s THR 118 Ca 0.37 0.04 -0.24 0.00 0.31 0.00 0.00 61.69 62.17 1kys s THR 118 Cb 0.21 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.47 1kys s THR 118 CO 0.40 0.51 0.79 -0.22 -0.69 0.00 0.00 174.62 175.40 1kys s LEU 119 N -0.07 4.12 -0.09 4.42 1.98 -0.47 -0.55 118.68 128.01 1kys s LEU 119 Ca 0.08 1.03 0.03 0.00 -2.89 0.00 0.00 54.13 52.38 1kys s LEU 119 Cb -0.12 -3.14 -0.02 0.00 0.66 0.00 0.00 46.19 43.58 1kys s LEU 119 CO 0.01 -0.43 -0.17 -0.69 -1.89 0.00 0.00 176.35 173.17 1kys s VAL 120 N 2.47 2.73 -0.27 1.68 1.01 -0.02 -1.28 120.40 126.71 1kys s VAL 120 Ca 0.35 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1kys s VAL 120 Cb -0.16 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.21 1kys s VAL 120 CO 0.09 0.56 -0.08 0.21 0.00 0.00 0.00 175.10 175.88 1kys s ASN 121 N -0.09 4.50 -0.21 3.32 2.47 -0.31 -1.61 114.94 123.00 1kys s ASN 121 Ca -0.03 -1.53 -0.05 0.00 0.42 0.00 0.00 52.86 51.66 1kys s ASN 121 Cb -0.14 -1.56 -0.02 0.00 -1.45 0.00 0.00 41.25 38.08 1kys s ASN 121 CO 0.04 -0.23 0.01 -0.13 -3.72 0.00 0.00 177.10 173.08 1kys s ARG 122 N 1.07 3.62 0.01 0.43 0.52 -0.51 -1.29 118.95 122.80 1kys s ARG 122 Ca -0.05 -0.51 0.03 0.00 -0.52 0.00 0.00 55.73 54.68 1kys s ARG 122 Cb -0.20 -3.13 -0.01 0.00 0.52 0.00 0.00 34.95 32.13 1kys s ARG 122 CO -0.06 -0.04 -0.11 0.42 0.02 0.00 0.00 175.30 175.54 1kys s ILE 123 N 1.14 0.85 -0.13 1.52 1.01 0.02 -0.92 121.20 124.69 1kys s ILE 123 Ca 0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 1kys s ILE 123 Cb -0.14 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 1kys s ILE 123 CO 0.02 0.12 -0.11 -1.61 0.00 0.00 0.00 174.94 173.36 1kys s GLU 124 N -0.57 3.44 -0.07 2.79 2.02 -0.19 -1.37 118.70 124.74 1kys s GLU 124 Ca 0.02 -0.65 0.04 0.00 0.02 0.00 0.00 54.97 54.40 1kys s GLU 124 Cb -0.05 -2.69 -0.00 0.00 0.10 0.00 0.00 34.13 31.49 1kys s GLU 124 CO 0.00 0.23 -0.20 -1.17 0.02 0.00 0.00 175.26 174.14 1kys s LEU 125 N 0.33 1.95 -0.11 1.80 0.20 -0.20 -1.44 118.68 121.21 1kys s LEU 125 Ca -0.09 -0.44 0.01 0.00 0.69 0.00 0.00 54.13 54.30 1kys s LEU 125 Cb -0.15 -1.17 0.02 0.00 -0.43 0.00 0.00 46.19 44.45 1kys s LEU 125 CO 0.05 0.15 -0.14 -0.75 -0.29 0.00 0.00 176.35 175.37 1kys s LYS 126 N 0.24 2.10 -0.06 1.98 2.47 0.30 -1.57 119.74 125.20 1kys s LYS 126 Ca -0.11 -0.51 0.05 0.00 -1.56 0.00 0.00 55.97 53.84 1kys s LYS 126 Cb -0.15 -1.85 -0.01 0.00 -1.46 0.00 0.00 37.83 34.35 1kys s LYS 126 CO 0.05 -0.12 -0.22 0.20 0.16 0.00 0.00 175.35 175.42 1kys s GLY 127 N 1.16 1.36 0.10 5.54 0.00 0.28 -0.40 107.32 115.38 1kys s GLY 127 Ca -0.03 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 43.67 1kys s GLY 127 CO -0.04 -0.65 -0.03 -0.26 0.00 0.00 0.00 173.10 172.13 1kys s ILE 128 N -0.25 0.49 -1.52 0.90 -4.36 -0.45 -1.39 121.20 114.63 1kys s ILE 128 Ca -0.01 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.47 1kys s ILE 128 Cb -0.13 -1.77 0.00 0.00 1.25 0.00 0.00 42.46 41.80 1kys s ILE 128 CO 0.03 -0.77 0.00 0.47 0.24 0.00 0.00 174.94 174.91 1kys n ASP 129 N -0.05 -4.90 -4.82 4.36 8.00 -1.26 -1.59 116.55 116.29 1kys n ASP 129 Ca -0.11 0.13 -0.34 0.00 0.71 0.00 0.00 54.79 55.19 1kys n ASP 129 Cb 0.62 -3.96 -0.07 0.00 -0.02 0.00 0.00 41.12 37.69 1kys n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1kys s PHE 130 N -2.75 3.36 -0.10 1.24 0.40 -1.26 -2.84 117.98 116.03 1kys s PHE 130 Ca 0.00 1.63 -0.26 0.00 -0.60 0.00 0.00 56.93 57.70 1kys s PHE 130 Cb 0.00 -2.85 -0.02 0.00 0.51 0.00 0.00 43.02 40.65 1kys s PHE 130 CO 0.00 -0.06 0.83 0.15 0.70 0.00 0.00 175.22 176.84 1kys s LYS 131 N -3.02 4.40 0.56 0.44 1.02 -1.26 -4.91 119.74 116.97 1kys s LYS 131 Ca 0.60 1.08 0.23 0.00 0.02 0.00 0.00 55.97 57.91 1kys s LYS 131 Cb -0.10 -3.51 1.54 0.00 -0.52 0.00 0.00 37.83 35.23 1kys s LYS 131 CO 0.15 -0.15 2.17 0.93 -0.92 0.00 0.00 175.35 177.53 1kys h GLU 132 N 7.04 0.00 -0.42 1.68 3.07 -1.96 -1.44 114.58 122.55 1kys h GLU 132 Ca -0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 1kys h GLU 132 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1kys h GLU 132 CO 0.80 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 178.16 1kys n ASP 133 N -4.18 4.07 -3.33 1.42 8.00 -1.26 -3.63 116.55 117.64 1kys n ASP 133 Ca -0.02 -2.60 -0.16 0.00 0.71 0.00 0.00 54.79 52.72 1kys n ASP 133 Cb 0.15 -0.49 0.10 0.00 -0.02 0.00 0.00 41.12 40.86 1kys n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kys n GLY 134 N 0.30 -0.40 0.23 0.44 0.00 -0.54 -4.77 105.19 100.45 1kys n GLY 134 Ca 0.21 -1.84 0.10 0.00 0.00 0.00 0.00 46.02 44.49 1kys n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1kys h ASN 135 N -0.73 0.00 0.00 1.61 2.35 -1.93 -0.17 115.58 116.71 1kys h ASN 135 Ca -0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1kys h ASN 135 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1kys h ASN 135 CO 0.20 0.22 -0.17 0.40 -1.65 0.00 0.00 177.43 176.43 1kys h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.93 -0.88 117.51 122.54 1kys h ILE 136 Ca -0.00 -0.42 -0.01 0.00 -0.12 0.00 0.00 64.86 64.31 1kys h ILE 136 Cb 0.59 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.38 1kys h ILE 136 CO 0.03 0.00 -0.03 -0.07 -0.68 0.00 0.00 178.15 177.40 1kys h LEU 137 N -0.42 0.00 -0.28 1.44 3.38 -1.74 -1.99 115.31 115.71 1kys h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1kys h LEU 137 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1kys h LEU 137 CO 0.00 0.03 -0.13 0.61 0.09 0.00 0.00 178.44 179.04 1kys n GLY 138 N -0.37 -0.89 3.53 0.83 0.00 -0.08 -4.93 105.19 103.29 1kys n GLY 138 Ca -0.01 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 1kys n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1kys n HIS 139 N -0.90 -2.11 -0.63 1.61 8.25 -0.75 -4.91 115.22 115.78 1kys n HIS 139 Ca 0.14 0.67 0.08 0.00 -0.26 0.00 0.00 57.72 58.35 1kys n HIS 139 Cb 0.29 -3.88 0.24 0.00 1.12 0.00 0.00 29.99 27.76 1kys n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1kys n LYS 140 N -3.87 3.09 -3.77 -0.41 5.02 -0.34 -4.98 118.16 112.91 1kys n LYS 140 Ca -0.12 -2.57 -0.37 0.00 -2.02 0.00 0.00 58.31 53.23 1kys n LYS 140 Cb 0.62 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 33.91 1kys n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1kys s LEU 141 N -2.00 4.36 0.61 -0.35 1.43 -1.25 -1.29 118.68 120.19 1kys s LEU 141 Ca 0.37 0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 53.81 1kys s LEU 141 Cb 0.26 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1kys s LEU 141 CO 0.14 0.34 1.21 -1.61 0.23 0.00 0.00 176.35 176.65 1kys s GLU 142 N -0.70 2.87 -1.36 1.70 2.02 0.01 -4.88 118.70 118.36 1kys s GLU 142 Ca 0.16 1.81 -0.14 0.00 0.02 0.00 0.00 54.97 56.82 1kys s GLU 142 Cb -0.13 -1.92 0.09 0.00 0.10 0.00 0.00 34.13 32.27 1kys s GLU 142 CO 0.05 -1.28 1.98 0.98 0.02 0.00 0.00 175.26 177.00 1kys n TYR 143 N -1.75 3.78 -3.85 1.61 9.36 -1.26 -4.79 117.16 120.27 1kys n TYR 143 Ca 0.14 -2.94 -0.09 0.00 3.32 0.00 0.00 57.90 58.32 1kys n TYR 143 Cb 0.50 -2.41 0.01 0.00 -0.63 0.00 0.00 39.34 36.81 1kys n TYR 143 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1kys s ASN 144 N 2.88 0.10 -0.21 2.98 2.20 -1.26 -4.85 114.94 116.78 1kys s ASN 144 Ca 0.47 -1.15 -0.08 0.00 -0.94 0.00 0.00 52.86 51.16 1kys s ASN 144 Cb 0.09 0.82 0.09 0.00 -2.00 0.00 0.00 41.25 40.25 1kys s ASN 144 CO -0.02 -1.61 0.47 0.12 -2.94 0.00 0.00 177.10 173.11 1kys s PHE 145 N -2.55 -0.86 0.59 1.54 2.19 -1.26 -4.81 117.98 112.82 1kys s PHE 145 Ca 0.17 1.64 -0.14 0.00 0.33 0.00 0.00 56.93 58.94 1kys s PHE 145 Cb -0.05 0.39 -0.05 0.00 -1.31 0.00 0.00 43.02 42.01 1kys s PHE 145 CO 0.12 -0.49 1.02 -0.80 1.83 0.00 0.00 175.22 176.91 1kys s ASN 146 N 2.39 6.16 0.47 6.13 0.01 -1.26 -4.41 114.94 124.42 1kys s ASN 146 Ca -0.04 1.58 -0.22 0.00 -0.71 0.00 0.00 52.86 53.46 1kys s ASN 146 Cb -0.11 -2.50 -0.07 0.00 0.41 0.00 0.00 41.25 38.98 1kys s ASN 146 CO -0.14 -0.91 1.14 -0.44 -1.51 0.00 0.00 177.10 175.24 1kys s SER 147 N -3.45 6.18 0.30 -1.22 0.01 -1.26 -4.72 113.70 109.54 1kys s SER 147 Ca 0.58 2.24 -0.18 0.00 1.31 0.00 0.00 55.95 59.91 1kys s SER 147 Cb -0.12 -2.60 0.06 0.00 0.21 0.00 0.00 66.02 63.58 1kys s SER 147 CO 0.43 -0.91 0.90 -0.83 0.41 0.00 0.00 173.24 173.23 1kys s GLY 148 N -1.46 0.27 -0.01 3.44 0.00 -1.05 -4.99 107.32 103.52 1kys s GLY 148 Ca 0.64 -0.59 0.06 0.00 0.00 0.00 0.00 44.72 44.83 1kys s GLY 148 CO 0.32 0.89 -0.19 -1.31 0.00 0.00 0.00 173.10 172.81 1kys s ASN 149 N -3.22 3.67 -0.27 1.64 0.01 -1.26 -1.23 114.94 114.28 1kys s ASN 149 Ca 0.18 -0.36 -0.04 0.00 -0.71 0.00 0.00 52.86 51.93 1kys s ASN 149 Cb -0.04 -0.61 0.01 0.00 0.41 0.00 0.00 41.25 41.02 1kys s ASN 149 CO 0.09 0.30 0.00 -0.69 -1.51 0.00 0.00 177.10 175.30 1kys s VAL 150 N -0.77 3.41 -0.25 1.60 1.01 0.60 -4.64 120.40 121.37 1kys s VAL 150 Ca 0.12 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 1kys s VAL 150 Cb -0.10 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1kys s VAL 150 CO 0.02 0.17 0.31 -0.31 0.00 0.00 0.00 175.10 175.29 1kys s TYR 151 N 1.42 3.29 -0.08 5.22 2.02 -0.93 -1.02 117.35 127.27 1kys s TYR 151 Ca 0.02 0.39 0.01 0.00 -0.37 0.00 0.00 57.07 57.12 1kys s TYR 151 Cb -0.17 -2.48 -0.03 0.00 -0.40 0.00 0.00 41.96 38.89 1kys s TYR 151 CO -0.01 -0.10 -0.09 0.42 -1.57 0.00 0.00 175.55 174.20 1kys s ILE 152 N 1.63 3.53 0.08 2.71 1.01 -0.15 -1.69 121.20 128.32 1kys s ILE 152 Ca 0.14 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.27 1kys s ILE 152 Cb -0.15 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1kys s ILE 152 CO 0.08 0.58 -0.07 0.28 0.00 0.00 0.00 174.94 175.82 1kys s THR 153 N -0.61 0.64 0.47 2.92 -1.32 -0.17 -2.52 115.64 115.04 1kys s THR 153 Ca 0.09 -1.64 -0.21 0.00 -1.21 0.00 0.00 61.69 58.72 1kys s THR 153 Cb -0.12 -1.31 -0.08 0.00 -1.51 0.00 0.00 72.50 69.48 1kys s THR 153 CO 0.02 -0.71 1.06 0.00 -2.21 0.00 0.00 174.62 172.78 1kys s ALA 154 N -2.86 2.92 -0.63 11.08 0.00 -1.24 -1.11 121.76 129.92 1kys s ALA 154 Ca 0.04 0.69 0.05 0.00 0.00 0.00 0.00 51.96 52.74 1kys s ALA 154 Cb 0.00 -3.28 0.20 0.00 0.00 0.00 0.00 23.12 20.04 1kys s ALA 154 CO -0.03 -0.37 0.56 -3.47 0.00 0.00 0.00 175.76 172.46 1kys n ASP 155 N -0.71 2.68 -0.26 0.00 4.64 -0.01 -4.71 116.55 118.19 1kys n ASP 155 Ca 0.08 -3.16 0.08 0.00 -1.38 0.00 0.00 54.79 50.41 1kys n ASP 155 Cb 0.51 -0.70 0.33 0.00 -1.04 0.00 0.00 41.12 40.22 1kys n ASP 155 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1kys h LYS 156 N 4.93 0.78 0.00 -0.67 1.57 -1.96 -0.73 116.57 120.49 1kys h LYS 156 Ca 0.17 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1kys h LYS 156 Cb 0.75 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1kys h LYS 156 CO 0.70 0.52 -0.31 1.96 -0.57 0.00 0.00 179.45 181.75 1kys h GLN 157 N 0.80 0.00 -0.59 3.15 4.20 -1.94 -1.55 115.11 119.18 1kys h GLN 157 Ca 0.40 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.11 1kys h GLN 157 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1kys h GLN 157 CO -0.16 0.31 0.00 1.63 -0.67 0.00 0.00 178.83 179.93 1kys n LYS 158 N -3.77 2.68 -3.38 1.46 5.02 -0.36 -4.95 118.16 114.85 1kys n LYS 158 Ca -0.01 -2.46 -0.25 0.00 -2.02 0.00 0.00 58.31 53.57 1kys n LYS 158 Cb 0.40 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.93 1kys n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1kys n ASN 159 N 1.38 -4.77 0.00 4.39 5.15 -0.58 -4.63 115.26 116.20 1kys n ASN 159 Ca 0.21 -0.44 0.00 0.00 -0.60 0.00 0.00 54.58 53.74 1kys n ASN 159 Cb 0.57 -3.87 0.00 0.00 -0.53 0.00 0.00 39.78 35.95 1kys n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kys n GLY 160 N -1.42 4.67 3.19 8.20 0.00 -0.91 -4.19 105.19 114.73 1kys n GLY 160 Ca -0.03 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 1kys n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1kys s ILE 161 N -0.44 0.41 0.13 -0.61 -4.36 -0.63 -0.83 121.20 114.87 1kys s ILE 161 Ca 0.00 -1.94 0.08 0.00 -0.26 0.00 0.00 60.65 58.53 1kys s ILE 161 Cb 0.00 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 1kys s ILE 161 CO 0.00 -0.51 -0.19 -0.54 0.24 0.00 0.00 174.94 173.94 1kys s LYS 162 N -3.97 1.16 0.05 0.37 1.02 -0.27 -0.81 119.74 117.29 1kys s LYS 162 Ca 0.23 -1.26 0.01 0.00 0.02 0.00 0.00 55.97 54.97 1kys s LYS 162 Cb 0.07 -1.28 -0.03 0.00 -0.52 0.00 0.00 37.83 36.07 1kys s LYS 162 CO 0.02 0.28 -0.05 0.00 -0.92 0.00 0.00 175.35 174.68 1kys s ALA 163 N -1.63 0.52 -0.01 5.17 0.00 -0.12 -1.00 121.76 124.70 1kys s ALA 163 Ca 0.10 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1kys s ALA 163 Cb -0.08 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.20 1kys s ALA 163 CO 0.05 -0.19 -0.00 -0.80 0.00 0.00 0.00 175.76 174.82 1kys s ASN 164 N -2.20 0.18 0.04 0.00 -0.87 -0.68 -0.90 114.94 110.51 1kys s ASN 164 Ca -0.03 -0.01 -0.28 0.00 -1.57 0.00 0.00 52.86 50.97 1kys s ASN 164 Cb -0.02 -0.06 0.09 0.00 -0.02 0.00 0.00 41.25 41.24 1kys s ASN 164 CO -0.04 -0.03 0.96 0.72 -2.57 0.00 0.00 177.10 176.15 1kys s PHE 165 N 0.31 -0.24 -0.20 2.20 -0.71 -0.86 -2.20 117.98 116.29 1kys s PHE 165 Ca -0.03 0.04 0.01 0.00 -1.04 0.00 0.00 56.93 55.92 1kys s PHE 165 Cb -0.05 0.57 0.03 0.00 -1.21 0.00 0.00 43.02 42.37 1kys s PHE 165 CO -0.01 -0.61 -0.18 0.15 -1.34 0.00 0.00 175.22 173.23 1kys s LYS 166 N -3.10 2.81 -0.02 1.99 1.02 -1.26 -0.51 119.74 120.66 1kys s LYS 166 Ca 0.08 -0.96 -0.17 0.00 0.02 0.00 0.00 55.97 54.95 1kys s LYS 166 Cb -0.01 -2.65 -0.05 0.00 -0.52 0.00 0.00 37.83 34.60 1kys s LYS 166 CO -0.04 -0.30 0.46 0.42 -0.92 0.00 0.00 175.35 174.96 1kys s ILE 167 N 1.24 5.03 -0.40 2.17 -1.09 -0.39 -4.92 121.20 122.84 1kys s ILE 167 Ca 0.02 0.94 -0.03 0.00 -2.23 0.00 0.00 60.65 59.35 1kys s ILE 167 Cb -0.15 -3.78 0.10 0.00 -1.58 0.00 0.00 42.46 37.06 1kys s ILE 167 CO -0.11 0.49 0.18 -0.13 -1.23 0.00 0.00 174.94 174.15 1kys s ARG 168 N -0.54 2.04 0.02 2.79 0.52 -1.26 -0.11 118.95 122.41 1kys s ARG 168 Ca 0.25 -1.77 -0.25 0.00 -0.52 0.00 0.00 55.73 53.44 1kys s ARG 168 Cb -0.17 -3.55 -0.05 0.00 0.52 0.00 0.00 34.95 31.71 1kys s ARG 168 CO 0.13 -1.03 0.77 -1.01 0.02 0.00 0.00 175.30 174.19 1kys s HIS 169 N 1.15 3.70 0.04 -0.53 3.76 0.06 -4.55 115.29 118.93 1kys s HIS 169 Ca 0.07 1.46 -0.30 0.00 -0.15 0.00 0.00 55.06 56.14 1kys s HIS 169 Cb -0.22 -2.85 -0.04 0.00 1.11 0.00 0.00 32.58 30.58 1kys s HIS 169 CO -0.04 0.22 1.07 -0.80 -0.85 0.00 0.00 174.74 174.34 1kys s ASN 170 N 0.18 7.25 0.12 1.40 0.01 -1.26 -0.37 114.94 122.27 1kys s ASN 170 Ca 0.40 1.83 -0.07 0.00 -0.71 0.00 0.00 52.86 54.31 1kys s ASN 170 Cb -0.20 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 38.83 1kys s ASN 170 CO 0.23 -0.33 0.39 -0.63 -1.51 0.00 0.00 177.10 175.24 1kys s ILE 171 N 0.90 5.14 0.47 0.60 1.01 -0.41 -0.81 121.20 128.10 1kys s ILE 171 Ca 0.54 0.20 0.13 0.00 0.00 0.00 0.00 60.65 61.52 1kys s ILE 171 Cb -0.25 -3.62 0.28 0.00 0.01 0.00 0.00 42.46 38.88 1kys s ILE 171 CO 0.29 0.13 2.09 -0.33 0.00 0.00 0.00 174.94 177.12 1kys h GLU 172 N 3.16 0.27 0.00 2.79 5.08 -1.50 -0.61 114.58 123.76 1kys h GLU 172 Ca -0.47 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1kys h GLU 172 Cb 1.18 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1kys h GLU 172 CO 0.70 0.18 0.00 -0.40 -1.00 0.00 0.00 179.01 178.49 1kys n ASP 173 N -4.50 0.00 0.00 1.42 5.68 -1.26 -4.85 116.55 113.04 1kys n ASP 173 Ca 0.02 -0.99 0.00 0.00 -0.50 0.00 0.00 54.79 53.32 1kys n ASP 173 Cb 0.14 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 1kys n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kys n GLY 174 N 0.70 1.59 0.00 6.12 0.00 -0.24 -5.09 105.19 108.28 1kys n GLY 174 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1kys n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kys n SER 175 N 0.00 0.00 -3.98 1.61 2.88 -1.25 -4.82 113.62 108.07 1kys n SER 175 Ca 0.00 -0.72 -0.16 0.00 -1.33 0.00 0.00 58.87 56.67 1kys n SER 175 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 1kys n SER 175 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1kys s VAL 176 N -0.16 0.45 -0.38 2.46 0.11 -1.26 -1.29 120.40 120.33 1kys s VAL 176 Ca 0.00 -0.36 -0.10 0.00 -2.93 0.00 0.00 61.98 58.59 1kys s VAL 176 Cb 0.00 -0.41 0.04 0.00 -1.53 0.00 0.00 36.38 34.49 1kys s VAL 176 CO 0.00 0.05 0.21 -1.58 -3.33 0.00 0.00 175.10 170.46 1kys s GLN 177 N -0.34 2.76 0.17 1.54 2.00 0.50 -4.90 119.66 121.39 1kys s GLN 177 Ca 0.00 -1.18 -0.30 0.00 -2.00 0.00 0.00 55.36 51.88 1kys s GLN 177 Cb -0.03 -3.73 -0.07 0.00 0.80 0.00 0.00 33.01 29.98 1kys s GLN 177 CO -0.00 -0.76 1.08 -1.17 -0.50 0.00 0.00 175.29 173.94 1kys s LEU 178 N 1.51 4.50 -0.31 3.68 2.96 -1.26 -0.76 118.68 129.00 1kys s LEU 178 Ca 0.02 2.05 0.01 0.00 -0.22 0.00 0.00 54.13 55.99 1kys s LEU 178 Cb -0.20 -3.60 0.09 0.00 0.50 0.00 0.00 46.19 42.98 1kys s LEU 178 CO 0.05 -0.19 0.05 0.00 -1.32 0.00 0.00 176.35 174.94 1kys s ALA 179 N -0.25 2.14 -0.02 5.97 0.00 0.85 -1.08 121.76 129.37 1kys s ALA 179 Ca 0.49 -1.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.21 1kys s ALA 179 Cb -0.29 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 1kys s ALA 179 CO 0.34 -1.58 1.06 -0.51 0.00 0.00 0.00 175.76 175.07 1kys s ASP 180 N 1.30 7.24 -0.17 0.00 1.01 -0.06 -1.26 116.67 124.72 1kys s ASP 180 Ca 0.07 1.73 -0.03 0.00 0.71 0.00 0.00 52.55 55.03 1kys s ASP 180 Cb -0.18 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.17 1kys s ASP 180 CO -0.15 -0.39 -0.07 -1.00 0.21 0.00 0.00 175.17 173.77 1kys s HIS 181 N 1.42 2.93 -0.10 4.23 3.76 0.33 -0.96 115.29 126.90 1kys s HIS 181 Ca 0.53 -0.66 0.03 0.00 -0.15 0.00 0.00 55.06 54.81 1kys s HIS 181 Cb -0.23 -1.98 -0.00 0.00 1.11 0.00 0.00 32.58 31.48 1kys s HIS 181 CO 0.25 -0.30 -0.22 -0.47 -0.85 0.00 0.00 174.74 173.15 1kys s TYR 182 N 0.81 2.60 -0.00 1.40 5.04 -0.69 -2.03 117.35 124.48 1kys s TYR 182 Ca -0.02 -0.97 0.03 0.00 -2.44 0.00 0.00 57.07 53.67 1kys s TYR 182 Cb -0.15 -1.73 -0.01 0.00 0.35 0.00 0.00 41.96 40.43 1kys s TYR 182 CO 0.01 -0.37 -0.09 -1.14 -1.34 0.00 0.00 175.55 172.62 1kys s GLN 183 N 0.31 0.70 -0.03 4.97 0.74 -0.08 -1.30 119.66 124.98 1kys s GLN 183 Ca -0.17 -0.36 0.02 0.00 0.05 0.00 0.00 55.36 54.90 1kys s GLN 183 Cb -0.17 -0.67 0.01 0.00 1.10 0.00 0.00 33.01 33.28 1kys s GLN 183 CO 0.08 0.18 -0.06 -0.65 -0.55 0.00 0.00 175.29 174.29 1kys s GLN 184 N -0.33 0.81 -0.04 1.67 -0.21 -0.07 -0.95 119.66 120.55 1kys s GLN 184 Ca 0.03 -0.17 0.05 0.00 0.02 0.00 0.00 55.36 55.28 1kys s GLN 184 Cb -0.04 -0.79 -0.01 0.00 1.00 0.00 0.00 33.01 33.18 1kys s GLN 184 CO -0.00 0.00 -0.18 -0.80 -2.12 0.00 0.00 175.29 172.19 1kys s ASN 185 N 0.56 2.18 0.00 5.90 -0.87 0.01 -0.83 114.94 121.90 1kys s ASN 185 Ca -0.08 -0.35 0.00 0.00 -1.57 0.00 0.00 52.86 50.87 1kys s ASN 185 Cb -0.11 -0.52 -0.00 0.00 -0.02 0.00 0.00 41.25 40.60 1kys s ASN 185 CO 0.00 0.17 -0.02 0.42 -2.57 0.00 0.00 177.10 175.11 1kys s THR 186 N -0.08 0.10 0.57 1.60 -4.23 -0.57 -1.61 115.64 111.42 1kys s THR 186 Ca -0.01 -0.18 -0.20 0.00 -1.18 0.00 0.00 61.69 60.12 1kys s THR 186 Cb -0.10 -0.12 -0.05 0.00 1.34 0.00 0.00 72.50 73.57 1kys s THR 186 CO 0.01 -0.05 1.20 -2.84 -0.54 0.00 0.00 174.62 172.40 1kys s PRO 187 N -0.25 3.14 -0.08 3.99 0.02 -1.26 -0.30 135.00 140.26 1kys s PRO 187 Ca -0.02 1.82 -0.14 0.00 0.02 0.00 0.00 61.00 62.68 1kys s PRO 187 Cb -0.02 -2.02 -0.29 0.00 0.02 0.00 0.00 34.50 32.20 1kys s PRO 187 CO -0.00 -1.07 0.60 0.82 -0.33 0.00 0.00 177.00 177.02 1kys h ILE 188 N 1.10 1.00 -4.30 2.83 2.04 -1.29 -3.44 117.51 115.45 1kys h ILE 188 Ca -0.50 -2.44 -0.46 0.00 1.00 0.00 0.00 64.86 62.46 1kys h ILE 188 Cb 1.29 2.74 0.13 0.00 -0.74 0.00 0.00 36.82 40.24 1kys h ILE 188 CO 0.56 0.76 0.41 -0.83 0.00 0.00 0.00 178.15 179.05 1kys s GLY 189 N -5.02 1.68 0.00 5.37 0.00 -1.26 -4.99 107.32 103.10 1kys s GLY 189 Ca -0.18 -0.92 0.19 0.00 0.00 0.00 0.00 44.72 43.81 1kys s GLY 189 CO 0.80 -0.30 1.43 1.34 0.00 0.00 0.00 173.10 176.36 1kys n ASP 190 N -3.50 3.56 -3.89 1.64 2.03 -1.26 -4.97 116.55 110.17 1kys n ASP 190 Ca 0.11 -1.98 -0.26 0.00 0.52 0.00 0.00 54.79 53.18 1kys n ASP 190 Cb 0.60 -0.37 0.18 0.00 -0.72 0.00 0.00 41.12 40.80 1kys n ASP 190 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kys n GLY 191 N 1.30 -1.07 3.81 0.27 0.00 -1.26 -5.07 105.19 103.17 1kys n GLY 191 Ca 0.20 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 1kys n GLY 191 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kys s PRO 192 N -5.56 4.28 0.20 1.61 0.04 -1.26 -5.07 135.00 129.24 1kys s PRO 192 Ca 0.69 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.87 1kys s PRO 192 Cb -0.02 -2.33 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1kys s PRO 192 CO 0.48 0.05 -0.01 0.14 0.04 0.00 0.00 177.00 177.70 1kys s VAL 193 N -2.04 0.85 -0.14 -0.36 -7.23 -1.26 -4.79 120.40 105.43 1kys s VAL 193 Ca 0.59 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 58.51 1kys s VAL 193 Cb -0.11 -2.20 -0.02 0.00 0.56 0.00 0.00 36.38 34.61 1kys s VAL 193 CO 0.16 -0.43 0.74 -0.76 -0.31 0.00 0.00 175.10 174.50 1kys s LEU 194 N -3.23 4.22 -0.37 1.32 1.43 -1.26 -5.04 118.68 115.75 1kys s LEU 194 Ca 0.25 1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 54.35 1kys s LEU 194 Cb 0.06 -3.11 0.02 0.00 0.03 0.00 0.00 46.19 43.19 1kys s LEU 194 CO 0.06 -0.27 0.21 -0.76 0.23 0.00 0.00 176.35 175.81 1kys s LEU 195 N 1.61 4.66 0.51 1.79 1.43 -1.26 -3.96 118.68 123.45 1kys s LEU 195 Ca 0.36 -0.91 -0.17 0.00 -1.03 0.00 0.00 54.13 52.39 1kys s LEU 195 Cb -0.17 -2.03 -0.08 0.00 0.03 0.00 0.00 46.19 43.94 1kys s LEU 195 CO 0.14 -0.36 0.98 -2.16 0.23 0.00 0.00 176.35 175.18 1kys s PRO 196 N 1.58 3.96 0.84 1.29 0.04 -1.26 -4.94 135.00 136.50 1kys s PRO 196 Ca 0.03 0.95 -0.11 0.00 0.04 0.00 0.00 61.00 61.91 1kys s PRO 196 Cb -0.19 -2.14 0.10 0.00 0.04 0.00 0.00 34.50 32.31 1kys s PRO 196 CO 0.07 -0.26 1.10 -0.51 0.04 0.00 0.00 177.00 177.44 1kys s ASP 197 N -3.04 3.86 0.28 6.66 -0.00 -1.26 -3.60 116.67 119.58 1kys s ASP 197 Ca 0.59 1.81 -0.30 0.00 -0.00 0.00 0.00 52.55 54.65 1kys s ASP 197 Cb -0.10 -2.45 -0.12 0.00 -0.00 0.00 0.00 42.92 40.25 1kys s ASP 197 CO 0.31 -2.44 1.52 0.59 -0.00 0.00 0.00 175.17 175.14 1kys n ASN 198 N -3.78 3.47 -3.17 0.27 4.13 -1.26 -4.79 115.26 110.13 1kys n ASN 198 Ca 0.09 1.15 -0.06 0.00 1.68 0.00 0.00 54.58 57.45 1kys n ASN 198 Cb 0.53 -1.54 0.02 0.00 -1.54 0.00 0.00 39.78 37.25 1kys n ASN 198 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 1kys s HIS 199 N -0.13 0.09 0.18 3.10 -3.43 -1.05 -4.78 115.29 109.27 1kys s HIS 199 Ca 0.64 -0.61 -0.00 0.00 -0.80 0.00 0.00 55.06 54.28 1kys s HIS 199 Cb -0.54 0.76 -0.04 0.00 -1.43 0.00 0.00 32.58 31.33 1kys s HIS 199 CO 0.50 -1.22 0.08 1.52 -2.00 0.00 0.00 174.74 173.63 1kys s TYR 200 N -2.25 1.12 -0.13 0.38 -0.85 -0.62 -0.98 117.35 114.03 1kys s TYR 200 Ca 0.19 -1.25 -0.01 0.00 -0.52 0.00 0.00 57.07 55.49 1kys s TYR 200 Cb -0.04 -0.61 -0.02 0.00 0.38 0.00 0.00 41.96 41.68 1kys s TYR 200 CO 0.08 -0.49 -0.11 -0.51 -1.52 0.00 0.00 175.55 173.01 1kys s LEU 201 N -3.15 2.87 -0.21 -3.49 1.43 -0.19 -0.51 118.68 115.44 1kys s LEU 201 Ca 0.31 -0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 53.08 1kys s LEU 201 Cb 0.07 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1kys s LEU 201 CO 0.08 0.19 0.09 -0.55 0.23 0.00 0.00 176.35 176.38 1kys s SER 202 N 0.21 5.62 0.07 2.29 0.15 0.78 -0.29 113.70 122.54 1kys s SER 202 Ca -0.07 0.02 0.10 0.00 0.70 0.00 0.00 55.95 56.70 1kys s SER 202 Cb -0.15 -1.99 -0.03 0.00 -1.71 0.00 0.00 66.02 62.14 1kys s SER 202 CO 0.04 0.10 -0.26 0.42 1.20 0.00 0.00 173.24 174.74 1kys s THR 203 N 0.84 2.19 0.02 6.45 -4.23 -0.37 -1.06 115.64 119.48 1kys s THR 203 Ca 0.05 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1kys s THR 203 Cb -0.13 -1.89 -0.01 0.00 1.34 0.00 0.00 72.50 71.80 1kys s THR 203 CO 0.02 0.28 -0.03 0.00 -0.54 0.00 0.00 174.62 174.36 1kys s GLN 204 N -1.49 0.27 -0.02 3.99 -2.07 -0.04 -2.51 119.66 117.78 1kys s GLN 204 Ca 0.12 -0.42 -0.01 0.00 -1.82 0.00 0.00 55.36 53.23 1kys s GLN 204 Cb -0.10 -0.03 0.02 0.00 -1.09 0.00 0.00 33.01 31.81 1kys s GLN 204 CO 0.03 -0.01 0.05 -1.12 -1.32 0.00 0.00 175.29 172.92 1kys s SER 205 N -0.95 0.00 -0.16 12.60 0.01 -1.26 -1.10 113.70 122.85 1kys s SER 205 Ca -0.09 0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.27 1kys s SER 205 Cb -0.06 0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.20 1kys s SER 205 CO -0.00 -0.08 -0.20 0.00 0.41 0.00 0.00 173.24 173.37 1kys s ALA 206 N 0.66 2.33 -0.15 1.44 0.00 0.19 -4.51 121.76 121.72 1kys s ALA 206 Ca -0.05 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 50.74 1kys s ALA 206 Cb -0.08 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 1kys s ALA 206 CO -0.02 -0.14 -0.01 -0.51 0.00 0.00 0.00 175.76 175.09 1kys s LEU 207 N 0.98 3.46 0.00 0.00 1.02 -1.26 -1.31 118.68 121.56 1kys s LEU 207 Ca -0.03 -0.02 0.02 0.00 0.02 0.00 0.00 54.13 54.12 1kys s LEU 207 Cb -0.15 -1.83 -0.01 0.00 0.02 0.00 0.00 46.19 44.22 1kys s LEU 207 CO -0.05 0.22 0.34 -1.54 0.02 0.00 0.00 176.35 175.34 1kys n SER 208 N 3.22 -0.91 -4.38 2.29 3.41 -0.17 -4.94 113.62 112.14 1kys n SER 208 Ca -0.17 -2.71 -0.27 0.00 -0.26 0.00 0.00 58.87 55.45 1kys n SER 208 Cb 0.53 1.83 -0.13 0.00 -0.26 0.00 0.00 64.21 66.18 1kys n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1kys s LYS 209 N -2.88 1.37 -0.52 4.33 -0.14 -1.26 -1.54 119.74 119.10 1kys s LYS 209 Ca 0.29 -1.35 -0.25 0.00 -1.36 0.00 0.00 55.97 53.29 1kys s LYS 209 Cb 0.00 -1.78 0.03 0.00 -1.68 0.00 0.00 37.83 34.41 1kys s LYS 209 CO 0.20 0.41 0.99 0.34 -0.76 0.00 0.00 175.35 176.53 1kys s ASP 210 N -2.18 6.42 0.31 2.83 -1.08 -1.26 -4.95 116.67 116.76 1kys s ASP 210 Ca 0.14 -0.09 0.22 0.00 -0.52 0.00 0.00 52.55 52.30 1kys s ASP 210 Cb -0.09 -2.47 1.14 0.00 -1.46 0.00 0.00 42.92 40.04 1kys s ASP 210 CO 0.06 -1.22 1.68 -0.81 0.52 0.00 0.00 175.17 175.40 1kys n PRO 211 N 7.55 0.15 0.00 4.34 -0.04 -1.26 -0.67 135.00 145.07 1kys n PRO 211 Ca 0.05 0.60 0.10 0.00 -0.04 0.00 0.00 63.50 64.21 1kys n PRO 211 Cb 0.48 -1.95 0.05 0.00 -0.04 0.00 0.00 33.50 32.05 1kys n PRO 211 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1kys n ASN 212 N -2.26 2.45 -4.65 3.54 3.02 -1.26 -4.91 115.26 111.19 1kys n ASN 212 Ca -0.01 -1.72 -0.42 0.00 -0.03 0.00 0.00 54.58 52.40 1kys n ASN 212 Cb 0.07 0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 39.38 1kys n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1kys s GLU 213 N -1.97 4.20 0.08 3.52 2.56 0.15 -4.89 118.70 122.35 1kys s GLU 213 Ca 0.22 0.99 0.24 0.00 0.00 0.00 0.00 54.97 56.41 1kys s GLU 213 Cb 0.17 -3.64 0.21 0.00 2.00 0.00 0.00 34.13 32.87 1kys s GLU 213 CO 0.36 -0.51 1.18 1.63 -0.56 0.00 0.00 175.26 177.36 1kys n LYS 214 N 5.97 0.28 -1.87 4.30 5.02 -1.26 -4.92 118.16 125.69 1kys n LYS 214 Ca 0.06 0.04 -0.32 0.00 -2.02 0.00 0.00 58.31 56.07 1kys n LYS 214 Cb 0.47 -1.64 0.02 0.00 -0.02 0.00 0.00 35.03 33.87 1kys n LYS 214 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1kys s ARG 215 N -3.18 3.28 -0.05 1.97 0.52 -1.26 -4.98 118.95 115.26 1kys s ARG 215 Ca 0.05 1.01 -0.30 0.00 -0.52 0.00 0.00 55.73 55.97 1kys s ARG 215 Cb 0.14 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.52 1kys s ARG 215 CO 0.76 -0.83 1.60 0.34 0.02 0.00 0.00 175.30 177.18 1kys s ASP 216 N -3.42 6.70 0.30 0.23 -1.08 -1.26 -4.95 116.67 113.20 1kys s ASP 216 Ca 0.60 2.20 -0.20 0.00 -0.52 0.00 0.00 52.55 54.63 1kys s ASP 216 Cb -0.14 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.81 1kys s ASP 216 CO 0.46 -0.89 0.75 -1.38 0.52 0.00 0.00 175.17 174.63 1kys s HIS 217 N 3.69 -0.11 -0.11 -5.34 -3.43 -1.26 -0.52 115.29 108.21 1kys s HIS 217 Ca 0.71 -0.41 -0.04 0.00 -0.80 0.00 0.00 55.06 54.52 1kys s HIS 217 Cb -0.33 0.74 0.05 0.00 -1.43 0.00 0.00 32.58 31.62 1kys s HIS 217 CO 0.28 -1.32 0.22 1.41 -2.00 0.00 0.00 174.74 173.34 1kys s MET 218 N -3.47 0.13 -0.15 -0.38 1.75 -0.28 -4.96 119.30 111.93 1kys s MET 218 Ca 0.12 0.61 -0.14 0.00 -1.25 0.00 0.00 55.69 55.04 1kys s MET 218 Cb -0.06 -0.13 -0.05 0.00 2.84 0.00 0.00 34.83 37.44 1kys s MET 218 CO 0.08 -0.25 0.29 0.08 -0.65 0.00 0.00 175.02 174.58 1kys s VAL 219 N 1.97 5.30 -0.09 10.11 1.01 -0.59 -0.47 120.40 137.64 1kys s VAL 219 Ca -0.02 0.55 0.02 0.00 0.00 0.00 0.00 61.98 62.53 1kys s VAL 219 Cb -0.12 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1kys s VAL 219 CO -0.08 0.40 -0.14 -0.22 0.00 0.00 0.00 175.10 175.06 1kys s LEU 220 N 0.39 1.69 -0.18 3.92 2.96 0.12 -1.00 118.68 126.58 1kys s LEU 220 Ca 0.17 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1kys s LEU 220 Cb -0.13 -1.01 0.00 0.00 0.50 0.00 0.00 46.19 45.55 1kys s LEU 220 CO 0.04 0.03 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.75 1kys s LEU 221 N 0.87 2.55 -0.00 -0.68 2.96 -0.42 -0.95 118.68 123.00 1kys s LEU 221 Ca -0.10 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.37 1kys s LEU 221 Cb -0.15 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 1kys s LEU 221 CO 0.01 0.04 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.36 1kys s GLU 222 N 1.10 0.84 -0.08 1.98 2.02 -0.24 -0.64 118.70 123.68 1kys s GLU 222 Ca 0.00 -0.43 0.03 0.00 0.02 0.00 0.00 54.97 54.60 1kys s GLU 222 Cb -0.14 -0.81 0.00 0.00 0.10 0.00 0.00 34.13 33.28 1kys s GLU 222 CO -0.04 0.22 -0.18 -0.06 0.02 0.00 0.00 175.26 175.22 1kys s PHE 223 N -0.36 2.01 -0.04 1.61 0.40 -0.26 -0.80 117.98 120.54 1kys s PHE 223 Ca 0.03 -0.77 0.01 0.00 -0.60 0.00 0.00 56.93 55.60 1kys s PHE 223 Cb -0.05 -1.38 0.02 0.00 0.51 0.00 0.00 43.02 42.12 1kys s PHE 223 CO -0.00 -0.33 -0.05 0.08 0.70 0.00 0.00 175.22 175.61 1kys s VAL 224 N 0.44 0.59 -0.05 -0.44 1.01 0.33 -0.86 120.40 121.42 1kys s VAL 224 Ca -0.15 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1kys s VAL 224 Cb -0.16 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.63 1kys s VAL 224 CO 0.06 0.23 -0.11 -0.89 0.00 0.00 0.00 175.10 174.38 1kys s THR 225 N 0.77 1.02 0.32 3.92 2.01 -0.22 -0.98 115.64 122.47 1kys s THR 225 Ca -0.11 -0.45 -0.27 0.00 0.31 0.00 0.00 61.69 61.17 1kys s THR 225 Cb -0.14 -0.91 -0.09 0.00 0.01 0.00 0.00 72.50 71.37 1kys s THR 225 CO 0.01 0.32 1.01 0.00 -0.69 0.00 0.00 174.62 175.26 1kys s ALA 226 N 0.41 3.24 0.29 7.40 0.00 -0.01 -0.15 121.76 132.94 1kys s ALA 226 Ca -0.08 0.67 -0.07 0.00 0.00 0.00 0.00 51.96 52.48 1kys s ALA 226 Cb -0.12 -3.24 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 1kys s ALA 226 CO 0.02 0.00 0.46 0.00 0.00 0.00 0.00 175.76 176.24 1kys s ALA 227 N -1.45 0.33 0.00 0.00 0.00 0.34 -4.57 121.76 116.41 1kys s ALA 227 Ca 0.49 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1kys s ALA 227 Cb -0.24 1.12 0.00 0.00 0.00 0.00 0.00 23.12 24.00 1kys s ALA 227 CO 0.30 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.66 1kys n GLY 228 N -0.46 1.15 2.94 0.00 0.00 -1.26 -1.59 105.19 105.96 1kys n GLY 228 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1kys n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kys s ILE 229 N -2.00 1.44 0.00 -0.61 1.01 -1.26 -4.86 121.20 114.93 1kys s ILE 229 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.60 1kys s ILE 229 Cb 0.00 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.80 1kys s ILE 229 CO 0.00 -0.01 0.04 0.41 0.00 0.00 0.00 174.94 175.38