#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyn s SER 2 N 0.00 6.64 0.02 6.12 0.15 -1.26 -4.28 113.70 121.08 3kyn s SER 2 Ca 0.00 1.21 0.00 0.00 0.70 0.00 0.00 55.95 57.86 3kyn s SER 2 Cb 0.00 -2.35 -0.02 0.00 -1.71 0.00 0.00 66.02 61.94 3kyn s SER 2 CO 0.00 -0.32 -0.03 -1.00 1.20 0.00 0.00 173.24 173.09 3kyn s HIS 3 N -2.20 0.30 0.01 3.44 0.09 -1.26 -4.99 115.29 110.67 3kyn s HIS 3 Ca 0.53 -0.41 -0.10 0.00 -0.00 0.00 0.00 55.06 55.07 3kyn s HIS 3 Cb -0.10 -0.20 0.01 0.00 -0.00 0.00 0.00 32.58 32.29 3kyn s HIS 3 CO 0.25 -0.13 0.20 -1.54 -0.00 0.00 0.00 174.74 173.52 3kyn s SER 4 N -1.17 -0.04 -0.04 1.40 1.04 -1.26 -1.10 113.70 112.53 3kyn s SER 4 Ca -0.11 -0.16 0.07 0.00 0.48 0.00 0.00 55.95 56.22 3kyn s SER 4 Cb -0.08 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.28 3kyn s SER 4 CO -0.01 -0.44 -0.26 -0.32 0.98 0.00 0.00 173.24 173.19 3kyn s MET 5 N -1.68 2.30 -0.01 4.02 1.75 -0.97 -0.69 119.30 124.01 3kyn s MET 5 Ca -0.12 -0.92 0.02 0.00 -1.25 0.00 0.00 55.69 53.42 3kyn s MET 5 Cb -0.05 -2.09 -0.00 0.00 2.84 0.00 0.00 34.83 35.52 3kyn s MET 5 CO 0.01 0.48 -0.07 1.03 -0.65 0.00 0.00 175.02 175.82 3kyn s ARG 6 N -0.42 0.64 -0.08 4.11 1.81 -0.50 -1.77 118.95 122.74 3kyn s ARG 6 Ca 0.04 -0.26 0.01 0.00 -1.72 0.00 0.00 55.73 53.81 3kyn s ARG 6 Cb -0.12 -0.62 -0.02 0.00 -0.45 0.00 0.00 34.95 33.74 3kyn s ARG 6 CO 0.01 0.14 -0.11 0.71 -0.68 0.00 0.00 175.30 175.37 3kyn s TYR 7 N -0.09 2.81 0.19 -0.53 2.02 0.65 -0.05 117.35 122.35 3kyn s TYR 7 Ca 0.02 -0.26 0.08 0.00 -0.37 0.00 0.00 57.07 56.54 3kyn s TYR 7 Cb -0.04 -1.73 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 3kyn s TYR 7 CO -0.00 0.09 -0.16 -0.06 -1.57 0.00 0.00 175.55 173.85 3kyn s PHE 8 N -0.36 1.75 0.16 2.71 0.08 0.54 -0.76 117.98 122.09 3kyn s PHE 8 Ca 0.04 -0.52 -0.18 0.00 0.12 0.00 0.00 56.93 56.39 3kyn s PHE 8 Cb -0.12 -0.84 0.04 0.00 -0.57 0.00 0.00 43.02 41.53 3kyn s PHE 8 CO 0.02 0.35 0.49 -1.54 -0.10 0.00 0.00 175.22 174.44 3kyn s SER 9 N -3.01 -0.32 -0.13 1.36 1.04 -0.42 -1.97 113.70 110.26 3kyn s SER 9 Ca 0.19 -0.30 -0.06 0.00 0.48 0.00 0.00 55.95 56.26 3kyn s SER 9 Cb -0.03 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.68 3kyn s SER 9 CO 0.07 -0.95 0.29 0.00 0.98 0.00 0.00 173.24 173.63 3kyn s ALA 10 N -3.82 -0.70 -0.16 5.32 0.00 -0.73 -1.07 121.76 120.61 3kyn s ALA 10 Ca 0.05 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.15 3kyn s ALA 10 Cb 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.33 3kyn s ALA 10 CO -0.09 -0.33 -0.20 0.00 0.00 0.00 0.00 175.76 175.14 3kyn s ALA 11 N 1.59 2.23 -0.24 0.00 0.00 0.11 -1.63 121.76 123.82 3kyn s ALA 11 Ca -0.07 -1.13 -0.00 0.00 0.00 0.00 0.00 51.96 50.76 3kyn s ALA 11 Cb -0.10 -1.09 0.07 0.00 0.00 0.00 0.00 23.12 22.00 3kyn s ALA 11 CO -0.10 -0.23 0.00 0.08 0.00 0.00 0.00 175.76 175.51 3kyn s VAL 12 N 1.14 1.20 0.41 0.00 1.01 -0.08 -0.84 120.40 123.23 3kyn s VAL 12 Ca 0.01 -1.16 -0.24 0.00 0.00 0.00 0.00 61.98 60.59 3kyn s VAL 12 Cb -0.14 -1.63 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 3kyn s VAL 12 CO -0.09 -0.27 1.08 -0.94 0.00 0.00 0.00 175.10 174.89 3kyn s SER 13 N 1.52 6.64 -0.43 3.32 1.04 -0.41 -1.59 113.70 123.78 3kyn s SER 13 Ca -0.01 2.12 0.06 0.00 0.48 0.00 0.00 55.95 58.61 3kyn s SER 13 Cb -0.18 -2.59 0.22 0.00 0.10 0.00 0.00 66.02 63.56 3kyn s SER 13 CO -0.10 -0.58 0.56 -2.11 0.98 0.00 0.00 173.24 171.98 3kyn n ARG 14 N -0.11 0.53 -1.72 4.02 1.85 -1.26 -3.93 116.66 116.04 3kyn n ARG 14 Ca 0.05 -2.79 -0.43 0.00 -1.00 0.00 0.00 57.85 53.69 3kyn n ARG 14 Cb 0.49 -1.43 -0.02 0.00 -1.05 0.00 0.00 32.46 30.44 3kyn n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3kyn n PRO 15 N 2.11 2.50 -1.03 2.89 -0.02 -1.26 -1.64 135.00 138.54 3kyn n PRO 15 Ca 0.21 0.89 -0.01 0.00 -2.02 0.00 0.00 63.50 62.57 3kyn n PRO 15 Cb 0.54 -2.65 -0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3kyn n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kyn n GLY 16 N 2.39 0.49 0.39 -1.23 0.00 -1.26 -4.89 105.19 101.07 3kyn n GLY 16 Ca 0.10 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3kyn n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kyn n ARG 17 N -2.90 0.06 0.00 1.61 1.74 -0.65 -5.16 116.66 111.37 3kyn n ARG 17 Ca -0.01 -0.95 0.00 0.00 -0.77 0.00 0.00 57.85 56.12 3kyn n ARG 17 Cb 0.04 -0.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.95 3kyn n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kyn n GLY 18 N -0.05 -2.02 3.56 -0.13 0.00 -1.25 -5.01 105.19 100.29 3kyn n GLY 18 Ca 0.00 -2.20 -0.37 0.00 0.00 0.00 0.00 46.02 43.46 3kyn n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kyn n GLU 19 N -0.35 0.58 -1.68 1.61 1.02 -1.26 -4.59 120.64 115.98 3kyn n GLU 19 Ca 0.00 0.24 -0.44 0.00 -0.02 0.00 0.00 57.16 56.94 3kyn n GLU 19 Cb 0.00 -2.05 -0.02 0.00 -0.02 0.00 0.00 31.44 29.35 3kyn n GLU 19 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3kyn n PRO 20 N -1.11 2.08 -2.01 3.49 -0.02 -1.26 -4.74 135.00 131.42 3kyn n PRO 20 Ca 0.13 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.93 3kyn n PRO 20 Cb 0.49 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 3kyn n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3kyn s ARG 21 N -0.58 4.27 -0.07 -0.52 3.52 -0.62 -4.79 118.95 120.16 3kyn s ARG 21 Ca 0.66 2.31 0.03 0.00 -0.13 0.00 0.00 55.73 58.60 3kyn s ARG 21 Cb -0.63 -3.08 0.01 0.00 -1.56 0.00 0.00 34.95 29.69 3kyn s ARG 21 CO 0.51 -0.38 -0.14 0.12 -0.81 0.00 0.00 175.30 174.61 3kyn s PHE 22 N -0.41 1.58 -0.03 5.12 5.36 -1.26 -0.90 117.98 127.44 3kyn s PHE 22 Ca 0.56 -0.57 0.05 0.00 -0.96 0.00 0.00 56.93 56.01 3kyn s PHE 22 Cb -0.42 -1.13 -0.01 0.00 -0.34 0.00 0.00 43.02 41.12 3kyn s PHE 22 CO 0.48 -0.27 -0.19 0.96 -1.46 0.00 0.00 175.22 174.74 3kyn s ILE 23 N 0.55 1.50 0.05 3.12 -4.36 -0.64 -1.16 121.20 120.25 3kyn s ILE 23 Ca -0.14 -0.79 0.02 0.00 -0.26 0.00 0.00 60.65 59.49 3kyn s ILE 23 Cb -0.15 -1.26 -0.03 0.00 1.25 0.00 0.00 42.46 42.27 3kyn s ILE 23 CO 0.04 0.43 -0.08 0.00 0.24 0.00 0.00 174.94 175.57 3kyn s ALA 24 N -0.26 0.62 -0.21 2.27 0.00 -0.45 -1.77 121.76 121.96 3kyn s ALA 24 Ca 0.03 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 50.89 3kyn s ALA 24 Cb -0.09 0.06 0.07 0.00 0.00 0.00 0.00 23.12 23.16 3kyn s ALA 24 CO 0.00 -0.04 0.72 0.00 0.00 0.00 0.00 175.76 176.44 3kyn s MET 25 N -1.83 0.89 0.01 0.00 0.23 -0.83 -0.65 119.30 117.12 3kyn s MET 25 Ca -0.08 0.78 0.05 0.00 -1.03 0.00 0.00 55.69 55.42 3kyn s MET 25 Cb -0.08 0.43 -0.03 0.00 -1.53 0.00 0.00 34.83 33.62 3kyn s MET 25 CO -0.00 -0.16 -0.14 0.20 -2.03 0.00 0.00 175.02 172.89 3kyn s GLY 26 N -0.06 1.61 0.04 3.16 0.00 -0.90 -0.34 107.32 110.83 3kyn s GLY 26 Ca -0.03 -1.09 0.05 0.00 0.00 0.00 0.00 44.72 43.65 3kyn s GLY 26 CO 0.03 -0.95 -0.15 -0.19 0.00 0.00 0.00 173.10 171.84 3kyn s TYR 27 N -0.90 1.27 -0.24 1.90 2.02 0.93 -1.50 117.35 120.83 3kyn s TYR 27 Ca 0.15 -0.37 -0.04 0.00 -0.37 0.00 0.00 57.07 56.44 3kyn s TYR 27 Cb -0.11 -0.75 0.01 0.00 -0.40 0.00 0.00 41.96 40.71 3kyn s TYR 27 CO 0.05 0.04 -0.03 0.08 -1.57 0.00 0.00 175.55 174.13 3kyn s VAL 28 N -0.91 3.33 0.00 0.71 1.01 -0.30 -1.41 120.40 122.83 3kyn s VAL 28 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3kyn s VAL 28 Cb -0.08 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.69 3kyn s VAL 28 CO 0.01 0.29 0.00 0.47 0.00 0.00 0.00 175.10 175.87 3kyn n ASP 29 N 4.77 0.00 -1.43 3.32 8.00 0.13 -1.03 116.55 130.31 3kyn n ASP 29 Ca -0.17 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.43 3kyn n ASP 29 Cb 0.49 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.92 3kyn n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kyn n ASP 30 N 6.56 4.35 -4.42 -2.24 8.00 -1.26 -4.90 116.55 122.64 3kyn n ASP 30 Ca 0.00 -2.27 -0.36 0.00 0.71 0.00 0.00 54.79 52.87 3kyn n ASP 30 Cb 0.00 -0.53 -0.13 0.00 -0.02 0.00 0.00 41.12 40.45 3kyn n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kyn s THR 31 N -1.51 4.17 0.02 -3.53 2.01 -0.19 -5.07 115.64 111.53 3kyn s THR 31 Ca 0.49 -0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 3kyn s THR 31 Cb 0.29 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 3kyn s THR 31 CO 0.27 0.35 1.23 -1.58 -0.69 0.00 0.00 174.62 174.20 3kyn s GLN 32 N 1.59 4.38 -0.00 4.92 0.74 -1.26 -1.15 119.66 128.89 3kyn s GLN 32 Ca 0.06 1.77 0.00 0.00 0.05 0.00 0.00 55.36 57.25 3kyn s GLN 32 Cb -0.15 -3.44 -0.00 0.00 1.10 0.00 0.00 33.01 30.51 3kyn s GLN 32 CO 0.03 -0.37 0.01 1.97 -0.55 0.00 0.00 175.29 176.37 3kyn n PHE 33 N 4.54 0.00 -3.77 1.67 -1.74 -0.56 -3.89 117.46 113.71 3kyn n PHE 33 Ca 0.10 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.86 3kyn n PHE 33 Cb 0.46 -0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.37 3kyn n PHE 33 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3kyn s VAL 34 N -1.40 0.05 -0.22 1.97 0.11 -1.23 -0.39 120.40 119.30 3kyn s VAL 34 Ca 0.00 -0.43 -0.17 0.00 -2.93 0.00 0.00 61.98 58.45 3kyn s VAL 34 Cb 0.00 -0.57 0.06 0.00 -1.53 0.00 0.00 36.38 34.34 3kyn s VAL 34 CO 0.01 -0.24 0.56 -0.60 -3.33 0.00 0.00 175.10 171.50 3kyn s ARG 35 N -1.12 0.61 -0.03 1.54 6.06 -0.31 -2.13 118.95 123.58 3kyn s ARG 35 Ca -0.12 0.87 0.04 0.00 -2.50 0.00 0.00 55.73 54.02 3kyn s ARG 35 Cb -0.05 0.21 -0.00 0.00 0.06 0.00 0.00 34.95 35.17 3kyn s ARG 35 CO 0.03 -0.11 -0.13 0.12 -2.50 0.00 0.00 175.30 172.71 3kyn s PHE 36 N 0.80 1.27 -0.13 5.12 5.36 0.18 0.09 117.98 130.67 3kyn s PHE 36 Ca -0.04 -0.31 -0.04 0.00 -0.96 0.00 0.00 56.93 55.58 3kyn s PHE 36 Cb -0.05 -0.86 0.06 0.00 -0.34 0.00 0.00 43.02 41.83 3kyn s PHE 36 CO -0.06 -0.09 0.16 0.34 -1.46 0.00 0.00 175.22 174.11 3kyn s ASP 37 N -0.03 1.17 0.29 6.13 -1.08 -1.26 -1.34 116.67 120.55 3kyn s ASP 37 Ca -0.00 0.03 0.23 0.00 -0.52 0.00 0.00 52.55 52.29 3kyn s ASP 37 Cb -0.08 0.22 1.07 0.00 -1.46 0.00 0.00 42.92 42.67 3kyn s ASP 37 CO 0.01 -0.28 1.69 -1.54 0.52 0.00 0.00 175.17 175.57 3kyn n SER 38 N 5.32 0.63 -0.16 -0.34 3.41 -0.31 -1.32 113.62 120.84 3kyn n SER 38 Ca -0.05 0.71 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 3kyn n SER 38 Cb 0.50 -0.83 0.44 0.00 -0.26 0.00 0.00 64.21 64.06 3kyn n SER 38 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kyn n ASP 39 N -2.26 0.75 0.26 4.04 8.00 -1.26 -4.57 116.55 121.50 3kyn n ASP 39 Ca 0.01 -0.65 0.18 0.00 0.71 0.00 0.00 54.79 55.03 3kyn n ASP 39 Cb 0.14 0.06 0.88 0.00 -0.02 0.00 0.00 41.12 42.18 3kyn n ASP 39 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3kyn h SER 40 N 0.80 0.00 0.00 -2.24 0.02 -1.62 -3.46 113.55 107.06 3kyn h SER 40 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kyn h SER 40 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3kyn h SER 40 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 3kyn n ALA 41 N -2.12 0.00 -2.74 3.77 0.00 -1.26 -4.81 120.51 113.35 3kyn n ALA 41 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 3kyn n ALA 41 Cb 0.35 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.85 3kyn n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kyn n SER 42 N 0.00 -2.83 -4.67 0.00 2.88 -1.26 -5.14 113.62 102.60 3kyn n SER 42 Ca 0.00 -3.03 -0.48 0.00 -1.33 0.00 0.00 58.87 54.03 3kyn n SER 42 Cb 0.00 1.69 -0.05 0.00 -0.75 0.00 0.00 64.21 65.11 3kyn n SER 42 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3kyn n PRO 43 N 1.91 2.09 -3.60 -1.46 -0.02 -1.26 -4.97 135.00 127.69 3kyn n PRO 43 Ca 0.10 0.76 -0.10 0.00 -2.02 0.00 0.00 63.50 62.24 3kyn n PRO 43 Cb 0.62 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 3kyn n PRO 43 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3kyn s ARG 44 N 2.41 1.42 0.02 -0.52 1.70 -1.26 -5.01 118.95 117.70 3kyn s ARG 44 Ca 0.86 -0.65 -0.30 0.00 -0.47 0.00 0.00 55.73 55.17 3kyn s ARG 44 Cb -0.71 0.57 -0.05 0.00 -0.57 0.00 0.00 34.95 34.19 3kyn s ARG 44 CO 0.45 -0.63 1.29 1.41 -1.08 0.00 0.00 175.30 176.74 3kyn s MET 45 N -3.74 4.35 0.05 3.89 -2.45 -1.26 -4.20 119.30 115.94 3kyn s MET 45 Ca 0.05 1.85 0.08 0.00 -1.25 0.00 0.00 55.69 56.42 3kyn s MET 45 Cb -0.03 -3.46 -0.03 0.00 1.25 0.00 0.00 34.83 32.57 3kyn s MET 45 CO -0.05 -0.43 -0.21 -1.21 1.05 0.00 0.00 175.02 174.16 3kyn s GLU 46 N 1.79 1.40 0.32 4.11 2.02 0.11 -4.88 118.70 123.58 3kyn s GLU 46 Ca 0.60 -0.99 -0.29 0.00 0.02 0.00 0.00 54.97 54.32 3kyn s GLU 46 Cb -0.30 -1.55 -0.12 0.00 0.10 0.00 0.00 34.13 32.26 3kyn s GLU 46 CO 0.27 0.39 1.32 -2.30 0.02 0.00 0.00 175.26 174.96 3kyn n PRO 47 N 1.74 2.15 0.00 0.39 -0.02 -1.26 -1.16 135.00 136.84 3kyn n PRO 47 Ca -0.17 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3kyn n PRO 47 Cb 0.53 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3kyn n PRO 47 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kyn n ARG 48 N 0.84 -0.36 -4.02 -0.52 5.12 0.47 -4.83 116.66 113.37 3kyn n ARG 48 Ca 0.06 -0.38 -0.10 0.00 -1.93 0.00 0.00 57.85 55.50 3kyn n ARG 48 Cb 0.35 -0.80 -0.11 0.00 -1.16 0.00 0.00 32.46 30.75 3kyn n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kyn s ALA 49 N -0.06 0.32 0.38 7.54 0.00 -1.23 -4.66 121.76 124.06 3kyn s ALA 49 Ca 0.00 -0.70 0.15 0.00 0.00 0.00 0.00 51.96 51.41 3kyn s ALA 49 Cb 0.00 0.11 0.85 0.00 0.00 0.00 0.00 23.12 24.08 3kyn s ALA 49 CO 0.00 -0.12 1.88 -1.00 0.00 0.00 0.00 175.76 176.52 3kyn h PRO 50 N 4.50 0.00 0.00 0.00 0.14 -1.94 -3.03 132.00 131.66 3kyn h PRO 50 Ca -0.34 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.80 3kyn h PRO 50 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.34 3kyn h PRO 50 CO 0.42 0.31 0.00 -2.67 0.14 0.00 0.00 178.00 176.20 3kyn n TRP 51 N -4.05 0.44 0.58 1.56 4.27 -1.26 -2.49 117.44 116.48 3kyn n TRP 51 Ca -0.02 0.15 0.11 0.00 -3.89 0.00 0.00 57.50 53.85 3kyn n TRP 51 Cb 0.36 -0.75 -0.00 0.00 -1.36 0.00 0.00 31.31 29.57 3kyn n TRP 51 CO 0.00 0.00 0.00 1.55 -2.29 0.00 0.00 177.69 176.95 3kyn n VAL 52 N -1.88 0.14 0.33 -1.67 3.14 -1.14 -4.21 118.33 113.03 3kyn n VAL 52 Ca 0.04 -0.23 0.11 0.00 -2.96 0.00 0.00 64.34 61.30 3kyn n VAL 52 Cb 0.28 0.27 0.49 0.00 -1.06 0.00 0.00 33.84 33.81 3kyn n VAL 52 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3kyn n GLU 53 N -1.93 0.16 0.00 1.45 1.02 -1.04 -1.71 120.64 118.59 3kyn n GLU 53 Ca 0.02 0.47 0.15 0.00 -0.02 0.00 0.00 57.16 57.78 3kyn n GLU 53 Cb 0.43 -1.85 0.80 0.00 -0.02 0.00 0.00 31.44 30.79 3kyn n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kyn n GLN 54 N -2.16 0.76 -2.41 3.49 10.64 -1.26 -4.82 117.38 121.62 3kyn n GLN 54 Ca 0.01 -0.09 -0.40 0.00 -1.83 0.00 0.00 57.00 54.69 3kyn n GLN 54 Cb 0.16 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 28.01 3kyn n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3kyn s GLU 55 N -2.30 4.56 0.93 2.61 0.41 -0.69 -5.03 118.70 119.19 3kyn s GLU 55 Ca 0.37 1.88 -0.15 0.00 -0.41 0.00 0.00 54.97 56.65 3kyn s GLU 55 Cb 0.21 -3.14 0.17 0.00 -1.78 0.00 0.00 34.13 29.59 3kyn s GLU 55 CO 0.42 0.12 1.27 0.20 -0.49 0.00 0.00 175.26 176.78 3kyn s GLY 56 N -0.83 1.72 0.58 -1.39 0.00 -1.26 -4.87 107.32 101.28 3kyn s GLY 56 Ca 0.46 -1.03 0.28 0.00 0.00 0.00 0.00 44.72 44.43 3kyn s GLY 56 CO 0.43 -0.34 2.18 -0.56 0.00 0.00 0.00 173.10 174.82 3kyn h PRO 57 N -1.52 0.00 -0.36 2.90 0.13 -1.99 -2.51 132.00 128.65 3kyn h PRO 57 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 3kyn h PRO 57 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3kyn h PRO 57 CO 0.46 0.00 -0.16 0.93 -0.23 0.00 0.00 178.00 178.99 3kyn h GLU 58 N 0.00 0.75 -0.09 0.86 4.39 -1.98 -0.12 114.58 118.38 3kyn h GLU 58 Ca 0.04 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3kyn h GLU 58 Cb 0.21 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3kyn h GLU 58 CO -0.00 0.93 0.06 -0.92 -1.16 0.00 0.00 179.01 177.92 3kyn h TYR 59 N 0.53 0.11 -0.38 4.33 3.20 -1.81 -1.00 116.97 121.96 3kyn h TYR 59 Ca 0.08 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.83 3kyn h TYR 59 Cb 0.70 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 3kyn h TYR 59 CO 0.06 0.07 -0.26 -1.49 -1.64 0.00 0.00 178.16 174.90 3kyn h TRP 60 N 0.12 0.89 -0.36 -3.82 4.06 -1.47 0.80 115.95 116.18 3kyn h TRP 60 Ca 0.03 -0.22 -0.02 0.00 2.06 0.00 0.00 58.89 60.75 3kyn h TRP 60 Cb -0.01 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 27.92 3kyn h TRP 60 CO -0.07 0.95 0.14 0.93 -3.56 0.00 0.00 178.44 176.83 3kyn h GLU 61 N 0.67 0.53 -0.36 0.49 5.08 -0.94 -0.72 114.58 119.34 3kyn h GLU 61 Ca 0.09 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 3kyn h GLU 61 Cb 0.78 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3kyn h GLU 61 CO 0.06 0.52 -0.34 1.49 -1.00 0.00 0.00 179.01 179.74 3kyn h GLU 62 N 0.43 0.81 -0.41 2.33 4.81 -1.00 -0.52 114.58 121.02 3kyn h GLU 62 Ca 0.12 -0.39 -0.09 0.00 -0.13 0.00 0.00 59.36 58.87 3kyn h GLU 62 Cb 0.19 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3kyn h GLU 62 CO -0.01 1.02 -0.08 0.93 -0.73 0.00 0.00 179.01 180.14 3kyn h GLU 63 N 0.67 0.79 -0.46 1.92 4.39 -0.76 0.20 114.58 121.33 3kyn h GLU 63 Ca 0.07 -0.29 -0.09 0.00 0.34 0.00 0.00 59.36 59.39 3kyn h GLU 63 Cb 0.89 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 3kyn h GLU 63 CO 0.08 0.91 -0.07 1.15 -1.16 0.00 0.00 179.01 179.92 3kyn h THR 64 N 0.61 1.25 -0.06 1.13 2.02 -1.15 -2.01 112.91 114.70 3kyn h THR 64 Ca 0.11 -1.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 3kyn h THR 64 Cb 0.61 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3kyn h THR 64 CO 0.04 0.39 -0.01 -0.09 0.37 0.00 0.00 175.52 176.21 3kyn h ARG 65 N 0.74 0.12 -0.32 6.66 2.43 -0.82 -2.20 114.38 120.97 3kyn h ARG 65 Ca 0.13 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.16 3kyn h ARG 65 Cb 0.54 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3kyn h ARG 65 CO 0.03 0.43 -0.22 -0.91 -1.51 0.00 0.00 179.97 177.79 3kyn h ASN 66 N -0.21 0.63 -0.13 -3.80 2.35 -0.97 -2.31 115.58 111.14 3kyn h ASN 66 Ca 0.02 -0.21 -0.20 0.00 -0.55 0.00 0.00 56.30 55.35 3kyn h ASN 66 Cb 0.39 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3kyn h ASN 66 CO 0.01 0.84 -0.67 0.74 -1.65 0.00 0.00 177.43 176.69 3kyn h THR 67 N 0.55 1.29 -0.67 2.81 2.02 -1.37 -1.25 112.91 116.30 3kyn h THR 67 Ca 0.08 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.37 3kyn h THR 67 Cb 0.68 1.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.91 3kyn h THR 67 CO 0.05 0.60 0.44 0.11 0.37 0.00 0.00 175.52 177.09 3kyn h LYS 68 N 0.54 0.89 -0.89 6.66 1.57 -1.31 -0.08 116.57 123.96 3kyn h LYS 68 Ca -0.02 -0.06 0.10 0.00 -1.87 0.00 0.00 60.65 58.79 3kyn h LYS 68 Cb 1.28 -0.20 -0.07 0.00 0.08 0.00 0.00 32.23 33.32 3kyn h LYS 68 CO 0.14 0.60 0.54 0.00 -0.57 0.00 0.00 179.45 180.16 3kyn h ALA 69 N 1.24 1.29 -0.30 3.86 0.00 -1.23 -2.13 119.26 121.99 3kyn h ALA 69 Ca 0.24 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 3kyn h ALA 69 Cb -0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3kyn h ALA 69 CO -0.05 0.19 -0.27 1.25 0.00 0.00 0.00 179.25 180.37 3kyn h HIS 70 N 0.90 0.85 -0.21 0.00 -0.00 -0.69 -1.25 115.15 114.74 3kyn h HIS 70 Ca 0.43 -0.25 0.06 0.00 -0.00 0.00 0.00 60.37 60.61 3kyn h HIS 70 Cb 0.36 -0.18 -0.07 0.00 -0.00 0.00 0.00 27.41 27.52 3kyn h HIS 70 CO -0.04 0.99 -0.29 0.00 -0.00 0.00 0.00 177.93 178.59 3kyn h ALA 71 N 0.72 -0.26 -0.85 5.26 0.00 -0.80 0.24 119.26 123.57 3kyn h ALA 71 Ca 0.05 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3kyn h ALA 71 Cb 0.83 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 3kyn h ALA 71 CO 0.07 -0.74 0.42 1.96 0.00 0.00 0.00 179.25 180.95 3kyn h GLN 72 N -0.32 1.21 -0.45 0.00 1.08 -1.33 -0.37 115.11 114.92 3kyn h GLN 72 Ca 0.12 -0.17 -0.07 0.00 -1.45 0.00 0.00 58.65 57.08 3kyn h GLN 72 Cb 0.51 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 3kyn h GLN 72 CO -0.39 0.92 -0.01 1.15 -0.95 0.00 0.00 178.83 179.55 3kyn h THR 73 N 1.20 1.24 0.00 -0.54 2.02 -0.57 -1.98 112.91 114.28 3kyn h THR 73 Ca 0.29 -0.98 -0.17 0.00 0.77 0.00 0.00 66.41 66.32 3kyn h THR 73 Cb 0.10 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 3kyn h THR 73 CO -0.04 0.34 -0.85 0.44 0.37 0.00 0.00 175.52 175.79 3kyn h ASP 74 N 0.70 0.00 -0.79 4.18 5.19 -0.09 -0.44 116.42 125.16 3kyn h ASP 74 Ca 0.14 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.52 3kyn h ASP 74 Cb 0.44 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.91 3kyn h ASP 74 CO 0.02 0.82 0.40 0.03 -3.12 0.00 0.00 179.24 177.39 3kyn h ARG 75 N 0.00 1.13 -0.38 3.56 3.08 -1.00 -0.68 114.38 120.10 3kyn h ARG 75 Ca -0.02 -0.15 -0.14 0.00 0.07 0.00 0.00 59.98 59.75 3kyn h ARG 75 Cb 1.64 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.46 3kyn h ARG 75 CO 0.10 0.86 -0.31 1.98 -1.07 0.00 0.00 179.97 181.53 3kyn h MET 76 N 1.13 0.84 -0.50 0.04 4.05 -1.17 -2.87 114.93 116.45 3kyn h MET 76 Ca 0.28 -0.40 -0.05 0.00 -0.28 0.00 0.00 59.70 59.26 3kyn h MET 76 Cb 0.08 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 3kyn h MET 76 CO -0.04 1.04 0.13 -0.91 0.23 0.00 0.00 176.91 177.35 3kyn h ASN 77 N 0.71 0.70 -0.65 1.39 2.35 -0.71 -0.67 115.58 118.70 3kyn h ASN 77 Ca 0.08 -0.12 0.05 0.00 -0.55 0.00 0.00 56.30 55.76 3kyn h ASN 77 Cb 0.87 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 39.01 3kyn h ASN 77 CO 0.08 0.69 0.38 -0.07 -1.65 0.00 0.00 177.43 176.86 3kyn h LEU 78 N 0.74 0.59 -0.13 1.61 3.38 -1.04 0.08 115.31 120.54 3kyn h LEU 78 Ca 0.17 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3kyn h LEU 78 Cb 0.27 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3kyn h LEU 78 CO -0.00 0.39 0.03 -0.61 0.09 0.00 0.00 178.44 178.34 3kyn h GLN 79 N 0.72 0.22 -0.48 1.13 4.15 -1.16 -1.40 115.11 118.29 3kyn h GLN 79 Ca 0.28 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.65 3kyn h GLN 79 Cb 0.12 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 3kyn h GLN 79 CO -0.15 0.38 0.31 1.15 -1.93 0.00 0.00 178.83 178.59 3kyn h THR 80 N 0.01 1.13 -0.07 2.39 2.02 -0.99 -2.56 112.91 114.85 3kyn h THR 80 Ca 0.04 -0.24 -0.16 0.00 0.77 0.00 0.00 66.41 66.82 3kyn h THR 80 Cb 0.26 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3kyn h THR 80 CO 0.00 0.12 -0.67 -0.07 0.37 0.00 0.00 175.52 175.28 3kyn h LEU 81 N 0.64 0.33 -0.90 2.58 3.38 -0.95 -2.34 115.31 118.04 3kyn h LEU 81 Ca 0.17 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.02 3kyn h LEU 81 Cb -0.06 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 3kyn h LEU 81 CO -0.04 0.90 0.56 -0.09 0.09 0.00 0.00 178.44 179.86 3kyn h ARG 82 N 0.20 0.93 0.01 1.13 2.43 -0.97 -2.40 114.38 115.72 3kyn h ARG 82 Ca -0.02 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3kyn h ARG 82 Cb 1.21 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3kyn h ARG 82 CO 0.11 0.62 -0.01 0.78 -1.51 0.00 0.00 179.97 179.96 3kyn h GLY 83 N 0.96 -0.02 0.10 2.80 0.00 -1.30 0.23 103.07 105.84 3kyn h GLY 83 Ca 0.42 0.01 0.20 0.00 0.00 0.00 0.00 47.33 47.95 3kyn h GLY 83 CO -0.21 -0.01 0.61 -0.97 0.00 0.00 0.00 176.54 175.96 3kyn h TYR 84 N -0.19 1.01 -0.01 5.60 0.05 -1.03 0.21 116.97 122.61 3kyn h TYR 84 Ca -0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3kyn h TYR 84 Cb 0.18 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.62 3kyn h TYR 84 CO -0.02 0.21 -0.29 0.66 -1.05 0.00 0.00 178.16 177.66 3kyn n TYR 85 N -4.75 0.00 -3.50 4.88 4.01 -0.94 -4.92 117.16 111.94 3kyn n TYR 85 Ca 0.23 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.79 3kyn n TYR 85 Cb 0.61 -0.08 0.07 0.00 -0.31 0.00 0.00 39.34 39.63 3kyn n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3kyn n ASN 86 N -0.36 -2.59 -4.95 7.72 5.15 0.74 -5.00 115.26 115.97 3kyn n ASN 86 Ca 0.12 -0.72 -0.24 0.00 -0.60 0.00 0.00 54.58 53.14 3kyn n ASN 86 Cb 0.39 -4.70 -0.02 0.00 -0.53 0.00 0.00 39.78 34.91 3kyn n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3kyn s GLN 87 N -5.45 3.46 0.48 1.20 -0.21 0.61 -5.01 119.66 114.74 3kyn s GLN 87 Ca 0.09 -0.59 -0.16 0.00 0.02 0.00 0.00 55.36 54.72 3kyn s GLN 87 Cb -0.02 -2.88 -0.08 0.00 1.00 0.00 0.00 33.01 31.04 3kyn s GLN 87 CO 0.76 0.42 0.95 -1.54 -2.12 0.00 0.00 175.29 173.76 3kyn s SER 88 N -3.63 6.65 0.52 5.90 1.04 -1.26 -4.74 113.70 118.18 3kyn s SER 88 Ca 0.36 1.52 0.26 0.00 0.48 0.00 0.00 55.95 58.57 3kyn s SER 88 Cb -0.10 -2.48 1.44 0.00 0.10 0.00 0.00 66.02 64.98 3kyn s SER 88 CO 0.30 -0.52 2.08 -0.33 0.98 0.00 0.00 173.24 175.75 3kyn h GLU 89 N 1.12 0.00 0.00 4.02 5.08 -1.98 -2.68 114.58 120.14 3kyn h GLU 89 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3kyn h GLU 89 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3kyn h GLU 89 CO 0.62 0.11 0.00 0.00 -1.00 0.00 0.00 179.01 178.74 3kyn h ALA 90 N 1.89 1.00 -2.51 3.43 0.00 -1.97 -3.44 119.26 117.65 3kyn h ALA 90 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.37 3kyn h ALA 90 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kyn h ALA 90 CO 0.01 0.00 -0.27 -1.54 0.00 0.00 0.00 179.25 177.45 3kyn s SER 91 N -4.77 6.41 -0.02 0.00 1.04 -1.01 -4.72 113.70 110.62 3kyn s SER 91 Ca 0.05 0.51 -0.03 0.00 0.48 0.00 0.00 55.95 56.97 3kyn s SER 91 Cb 0.10 -2.06 -0.04 0.00 0.10 0.00 0.00 66.02 64.12 3kyn s SER 91 CO 0.50 -0.08 0.16 -0.44 0.98 0.00 0.00 173.24 174.36 3kyn s SER 92 N -3.09 6.23 0.07 7.02 0.01 -1.26 -4.71 113.70 117.98 3kyn s SER 92 Ca 0.40 0.32 -0.09 0.00 1.31 0.00 0.00 55.95 57.89 3kyn s SER 92 Cb -0.11 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.19 3kyn s SER 92 CO 0.29 0.28 0.19 -1.00 0.41 0.00 0.00 173.24 173.41 3kyn s HIS 93 N -1.27 0.11 -0.10 2.43 3.76 -1.25 -4.98 115.29 113.99 3kyn s HIS 93 Ca 0.25 -0.47 0.03 0.00 -0.15 0.00 0.00 55.06 54.72 3kyn s HIS 93 Cb -0.12 -0.05 0.01 0.00 1.11 0.00 0.00 32.58 33.53 3kyn s HIS 93 CO 0.16 -0.51 -0.19 0.99 -0.85 0.00 0.00 174.74 174.34 3kyn s THR 94 N -3.42 1.75 -0.21 1.30 2.01 -1.26 -1.29 115.64 114.52 3kyn s THR 94 Ca 0.02 -0.82 -0.00 0.00 0.31 0.00 0.00 61.69 61.19 3kyn s THR 94 Cb 0.03 -1.55 0.02 0.00 0.01 0.00 0.00 72.50 71.01 3kyn s THR 94 CO -0.09 0.49 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.98 3kyn s LEU 95 N 0.63 2.62 0.10 4.42 2.96 -0.02 -0.74 118.68 128.64 3kyn s LEU 95 Ca -0.13 -0.71 0.07 0.00 -0.22 0.00 0.00 54.13 53.14 3kyn s LEU 95 Cb -0.16 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 3kyn s LEU 95 CO 0.04 -0.05 -0.10 -1.10 -1.32 0.00 0.00 176.35 173.82 3kyn s GLN 96 N 1.32 2.12 0.02 1.98 -0.21 0.74 -0.72 119.66 124.92 3kyn s GLN 96 Ca 0.03 -1.02 -0.01 0.00 0.02 0.00 0.00 55.36 54.38 3kyn s GLN 96 Cb -0.15 -2.30 -0.02 0.00 1.00 0.00 0.00 33.01 31.54 3kyn s GLN 96 CO -0.09 0.51 -0.02 -0.46 -2.12 0.00 0.00 175.29 173.11 3kyn s TRP 97 N -1.20 0.29 -0.08 0.91 -0.00 -0.23 -0.59 118.94 118.05 3kyn s TRP 97 Ca 0.21 -0.60 -0.04 0.00 -0.00 0.00 0.00 56.10 55.67 3kyn s TRP 97 Cb -0.11 -0.22 0.04 0.00 -0.00 0.00 0.00 33.47 33.19 3kyn s TRP 97 CO 0.13 -0.23 0.18 1.41 -0.00 0.00 0.00 176.95 178.45 3kyn s MET 98 N -1.86 0.14 0.01 5.86 1.75 -0.24 -1.30 119.30 123.65 3kyn s MET 98 Ca -0.12 0.43 0.04 0.00 -1.25 0.00 0.00 55.69 54.79 3kyn s MET 98 Cb -0.07 -0.15 -0.01 0.00 2.84 0.00 0.00 34.83 37.44 3kyn s MET 98 CO -0.02 -0.16 -0.13 -1.50 -0.65 0.00 0.00 175.02 172.56 3kyn s ILE 99 N 1.17 1.01 -0.05 10.11 2.07 0.06 -0.80 121.20 134.76 3kyn s ILE 99 Ca -0.09 -0.68 -0.31 0.00 -1.41 0.00 0.00 60.65 58.17 3kyn s ILE 99 Cb -0.11 -0.87 0.11 0.00 0.13 0.00 0.00 42.46 41.73 3kyn s ILE 99 CO -0.07 0.18 1.13 -0.83 -1.91 0.00 0.00 174.94 173.45 3kyn s GLY 100 N -0.56 -0.35 0.01 1.50 0.00 -0.92 -0.25 107.32 106.74 3kyn s GLY 100 Ca 0.04 0.98 0.06 0.00 0.00 0.00 0.00 44.72 45.79 3kyn s GLY 100 CO 0.00 0.29 -0.17 0.00 0.00 0.00 0.00 173.10 173.21 3kyn s ASP 102 N -0.65 4.03 -0.16 0.00 1.01 0.78 -2.30 116.67 119.38 3kyn s ASP 102 Ca 0.06 -0.30 -0.16 0.00 0.71 0.00 0.00 52.55 52.87 3kyn s ASP 102 Cb -0.07 -1.47 -0.12 0.00 1.01 0.00 0.00 42.92 42.26 3kyn s ASP 102 CO 0.00 0.20 0.15 -0.07 0.21 0.00 0.00 175.17 175.66 3kyn h LEU 103 N 6.45 0.00 0.00 1.23 3.38 -1.43 0.16 115.31 125.09 3kyn h LEU 103 Ca -0.29 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.32 3kyn h LEU 103 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3kyn h LEU 103 CO 0.55 1.03 0.00 0.61 0.09 0.00 0.00 178.44 180.72 3kyn n GLY 104 N 1.57 0.72 0.23 0.83 0.00 -1.26 0.37 105.19 107.65 3kyn n GLY 104 Ca -0.16 -1.39 -0.05 0.00 0.00 0.00 0.00 46.02 44.41 3kyn n GLY 104 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kyn n SER 105 N -0.19 -0.56 -3.64 1.61 7.64 -1.26 -4.33 113.62 112.89 3kyn n SER 105 Ca 0.00 0.97 -0.07 0.00 1.01 0.00 0.00 58.87 60.78 3kyn n SER 105 Cb 0.00 -0.13 -0.07 0.00 -1.01 0.00 0.00 64.21 63.00 3kyn n SER 105 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3kyn s ASP 106 N -5.26 -0.54 0.00 6.43 1.47 -1.26 -5.04 116.67 112.47 3kyn s ASP 106 Ca -0.07 0.95 0.00 0.00 1.18 0.00 0.00 52.55 54.61 3kyn s ASP 106 Cb 0.06 1.08 0.00 0.00 -0.34 0.00 0.00 42.92 43.72 3kyn s ASP 106 CO 0.34 -0.16 0.00 0.61 0.68 0.00 0.00 175.17 176.65 3kyn n GLY 107 N 2.96 2.35 3.82 2.12 0.00 -1.26 -5.13 105.19 110.05 3kyn n GLY 107 Ca -0.15 -1.55 -0.27 0.00 0.00 0.00 0.00 46.02 44.05 3kyn n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kyn s ARG 108 N -1.88 2.24 -0.47 1.61 0.52 -1.26 -5.07 118.95 114.64 3kyn s ARG 108 Ca 0.00 -2.05 -0.15 0.00 -0.52 0.00 0.00 55.73 53.00 3kyn s ARG 108 Cb 0.00 -1.94 0.02 0.00 0.52 0.00 0.00 34.95 33.55 3kyn s ARG 108 CO 0.00 -0.41 0.61 -0.11 0.02 0.00 0.00 175.30 175.42 3kyn n LEU 109 N -1.50 -7.48 0.21 2.53 7.94 0.16 -4.95 117.00 113.91 3kyn n LEU 109 Ca -0.06 0.42 0.09 0.00 -1.11 0.00 0.00 56.01 55.36 3kyn n LEU 109 Cb 0.65 -3.28 0.40 0.00 0.53 0.00 0.00 43.42 41.72 3kyn n LEU 109 CO 0.41 -2.08 0.77 0.16 -1.11 0.00 0.00 177.39 175.54 3kyn h ILE 110 N 1.82 0.55 -2.00 1.96 3.07 -0.59 -3.47 117.51 118.85 3kyn h ILE 110 Ca -0.04 -1.22 0.04 0.00 1.55 0.00 0.00 64.86 65.19 3kyn h ILE 110 Cb 1.03 1.84 -0.21 0.00 -0.27 0.00 0.00 36.82 39.21 3kyn h ILE 110 CO 0.21 0.24 -0.03 -0.13 -1.05 0.00 0.00 178.15 177.39 3kyn s ARG 111 N -3.56 0.66 0.22 0.16 0.52 -1.13 -5.01 118.95 110.82 3kyn s ARG 111 Ca 0.01 1.31 0.06 0.00 -0.52 0.00 0.00 55.73 56.60 3kyn s ARG 111 Cb 0.10 0.41 -0.04 0.00 0.52 0.00 0.00 34.95 35.94 3kyn s ARG 111 CO 0.65 -0.17 0.19 0.20 0.02 0.00 0.00 175.30 176.19 3kyn s GLY 112 N 2.09 1.49 -0.08 -3.53 0.00 -1.26 -0.15 107.32 105.88 3kyn s GLY 112 Ca -0.09 -1.34 -0.12 0.00 0.00 0.00 0.00 44.72 43.18 3kyn s GLY 112 CO -0.20 -1.36 0.30 -0.19 0.00 0.00 0.00 173.10 171.65 3kyn s TYR 113 N -2.00 -0.27 -0.29 1.90 2.02 -0.26 -4.74 117.35 113.71 3kyn s TYR 113 Ca 0.32 0.61 -0.15 0.00 -0.37 0.00 0.00 57.07 57.49 3kyn s TYR 113 Cb -0.09 0.10 0.10 0.00 -0.40 0.00 0.00 41.96 41.68 3kyn s TYR 113 CO 0.25 -0.24 0.73 -2.00 -1.57 0.00 0.00 175.55 172.73 3kyn s GLU 114 N -0.35 0.62 -0.01 -0.62 2.12 -1.26 -2.15 118.70 117.04 3kyn s GLU 114 Ca -0.05 1.18 -0.10 0.00 0.36 0.00 0.00 54.97 56.36 3kyn s GLU 114 Cb -0.03 0.30 0.01 0.00 0.26 0.00 0.00 34.13 34.67 3kyn s GLU 114 CO 0.02 -0.15 0.20 1.03 -0.54 0.00 0.00 175.26 175.82 3kyn s ARG 115 N 1.90 0.52 0.03 4.30 0.52 0.01 -0.38 118.95 125.85 3kyn s ARG 115 Ca -0.09 -0.24 0.08 0.00 -0.52 0.00 0.00 55.73 54.96 3kyn s ARG 115 Cb -0.06 0.22 -0.02 0.00 0.52 0.00 0.00 34.95 35.61 3kyn s ARG 115 CO -0.19 -0.13 -0.24 0.71 0.02 0.00 0.00 175.30 175.48 3kyn s TYR 116 N -1.18 2.09 0.02 -0.53 2.02 -0.26 -1.08 117.35 118.44 3kyn s TYR 116 Ca -0.13 -0.39 0.06 0.00 -0.37 0.00 0.00 57.07 56.24 3kyn s TYR 116 Cb -0.06 -1.28 -0.02 0.00 -0.40 0.00 0.00 41.96 40.20 3kyn s TYR 116 CO 0.02 0.07 -0.17 0.00 -1.57 0.00 0.00 175.55 173.89 3kyn s ALA 117 N -0.72 1.47 -0.14 3.71 0.00 0.25 -1.64 121.76 124.67 3kyn s ALA 117 Ca 0.10 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3kyn s ALA 117 Cb -0.09 -0.31 0.03 0.00 0.00 0.00 0.00 23.12 22.74 3kyn s ALA 117 CO 0.01 0.33 -0.11 -0.47 0.00 0.00 0.00 175.76 175.53 3kyn s TYR 118 N -0.64 1.91 -1.38 0.00 5.04 0.06 -0.19 117.35 122.16 3kyn s TYR 118 Ca 0.06 -1.08 -0.01 0.00 -2.44 0.00 0.00 57.07 53.59 3kyn s TYR 118 Cb -0.08 -1.45 0.01 0.00 0.35 0.00 0.00 41.96 40.79 3kyn s TYR 118 CO 0.01 -0.62 0.58 -0.25 -1.34 0.00 0.00 175.55 173.93 3kyn n ASP 119 N 4.83 -0.98 0.00 4.32 8.00 0.08 -2.13 116.55 130.66 3kyn n ASP 119 Ca -0.15 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.44 3kyn n ASP 119 Cb 0.49 -3.53 0.00 0.00 -0.02 0.00 0.00 41.12 38.07 3kyn n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kyn n GLY 120 N -1.77 1.60 3.61 0.44 0.00 -1.26 -5.00 105.19 102.81 3kyn n GLY 120 Ca -0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 3kyn n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kyn s LYS 121 N -0.09 3.53 -0.03 1.61 2.20 -0.91 -5.07 119.74 120.98 3kyn s LYS 121 Ca 0.00 -0.42 -0.38 0.00 -0.36 0.00 0.00 55.97 54.82 3kyn s LYS 121 Cb 0.00 -2.97 -0.16 0.00 -1.51 0.00 0.00 37.83 33.19 3kyn s LYS 121 CO 0.00 0.42 1.50 -0.25 -0.36 0.00 0.00 175.35 176.66 3kyn n ASP 122 N 3.02 2.02 0.01 1.43 8.00 -1.26 -0.76 116.55 129.00 3kyn n ASP 122 Ca -0.18 1.10 -0.02 0.00 0.71 0.00 0.00 54.79 56.40 3kyn n ASP 122 Cb 0.53 -1.19 -0.01 0.00 -0.02 0.00 0.00 41.12 40.43 3kyn n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kyn n TYR 123 N 3.59 0.00 -3.76 1.24 9.36 -0.65 -4.47 117.16 122.47 3kyn n TYR 123 Ca 0.21 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.30 3kyn n TYR 123 Cb 0.18 -0.11 -0.12 0.00 -0.63 0.00 0.00 39.34 38.66 3kyn n TYR 123 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 3kyn s LEU 124 N -6.96 0.73 0.03 2.98 2.96 -1.19 -1.22 118.68 116.01 3kyn s LEU 124 Ca -0.06 0.58 0.02 0.00 -0.22 0.00 0.00 54.13 54.45 3kyn s LEU 124 Cb 0.01 0.94 -0.02 0.00 0.50 0.00 0.00 46.19 47.62 3kyn s LEU 124 CO 0.09 -0.12 -0.07 0.00 -1.32 0.00 0.00 176.35 174.93 3kyn s ALA 125 N 0.50 0.53 -0.00 5.97 0.00 0.10 -1.10 121.76 127.76 3kyn s ALA 125 Ca -0.03 -0.57 -0.28 0.00 0.00 0.00 0.00 51.96 51.08 3kyn s ALA 125 Cb -0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 3kyn s ALA 125 CO -0.03 0.03 0.88 -1.17 0.00 0.00 0.00 175.76 175.48 3kyn s LEU 126 N -1.05 4.37 0.72 0.00 2.96 0.49 -0.71 118.68 125.47 3kyn s LEU 126 Ca -0.05 1.52 -0.11 0.00 -0.22 0.00 0.00 54.13 55.27 3kyn s LEU 126 Cb -0.07 -3.41 0.02 0.00 0.50 0.00 0.00 46.19 43.23 3kyn s LEU 126 CO 0.00 -0.18 1.07 0.20 -1.32 0.00 0.00 176.35 176.12 3kyn s ASN 127 N 0.78 5.20 0.50 3.68 0.02 0.34 -4.41 114.94 121.04 3kyn s ASN 127 Ca 0.46 1.49 0.25 0.00 -1.02 0.00 0.00 52.86 54.04 3kyn s ASN 127 Cb -0.20 -2.33 1.33 0.00 0.02 0.00 0.00 41.25 40.07 3kyn s ASN 127 CO 0.25 -1.54 1.94 -0.08 0.02 0.00 0.00 177.10 177.69 3kyn h GLU 128 N -0.79 0.11 0.00 -0.60 4.81 -1.88 0.26 114.58 116.48 3kyn h GLU 128 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3kyn h GLU 128 Cb 1.23 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3kyn h GLU 128 CO 0.58 0.07 0.00 -0.40 -0.73 0.00 0.00 179.01 178.53 3kyn n ASP 129 N -4.38 0.37 -2.39 1.04 5.68 -1.26 -4.78 116.55 110.83 3kyn n ASP 129 Ca 0.14 0.59 -0.20 0.00 -0.50 0.00 0.00 54.79 54.82 3kyn n ASP 129 Cb 0.71 -0.67 -0.01 0.00 -1.14 0.00 0.00 41.12 40.01 3kyn n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3kyn n LEU 130 N -1.90 -1.86 0.00 -2.12 4.77 0.90 -4.83 117.00 111.95 3kyn n LEU 130 Ca 0.03 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3kyn n LEU 130 Cb 0.22 -2.86 0.00 0.00 -2.33 0.00 0.00 43.42 38.45 3kyn n LEU 130 CO 0.18 -0.22 0.30 0.54 -1.33 0.00 0.00 177.39 176.85 3kyn n ARG 131 N -2.99 0.75 -3.52 3.23 1.74 -1.26 -4.60 116.66 110.01 3kyn n ARG 131 Ca -0.24 -0.72 -0.10 0.00 -0.77 0.00 0.00 57.85 56.02 3kyn n ARG 131 Cb 0.68 -0.65 -0.03 0.00 -1.02 0.00 0.00 32.46 31.44 3kyn n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kyn s SER 132 N -0.26 -0.41 0.12 0.55 1.04 -1.26 -4.98 113.70 108.50 3kyn s SER 132 Ca 0.00 0.20 0.10 0.00 0.48 0.00 0.00 55.95 56.72 3kyn s SER 132 Cb 0.00 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 3kyn s SER 132 CO 0.00 -0.56 -0.24 0.26 0.98 0.00 0.00 173.24 173.68 3kyn s TRP 133 N -2.35 2.06 -0.15 5.02 0.52 -1.26 -0.51 118.94 122.27 3kyn s TRP 133 Ca 0.01 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.75 3kyn s TRP 133 Cb -0.01 -1.12 0.01 0.00 -1.15 0.00 0.00 33.47 31.21 3kyn s TRP 133 CO -0.04 0.29 -0.21 0.99 0.02 0.00 0.00 176.95 178.00 3kyn s THR 134 N -1.16 2.13 -0.13 2.01 2.01 0.11 -4.89 115.64 115.72 3kyn s THR 134 Ca 0.11 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 61.13 3kyn s THR 134 Cb -0.10 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 3kyn s THR 134 CO 0.05 0.54 -0.01 0.00 -0.69 0.00 0.00 174.62 174.52 3kyn s ALA 135 N 0.95 3.16 -0.50 7.40 0.00 -1.26 -0.72 121.76 130.79 3kyn s ALA 135 Ca -0.04 -0.81 0.24 0.00 0.00 0.00 0.00 51.96 51.36 3kyn s ALA 135 Cb -0.15 -1.57 0.42 0.00 0.00 0.00 0.00 23.12 21.83 3kyn s ALA 135 CO -0.05 0.36 1.59 0.00 0.00 0.00 0.00 175.76 177.66 3kyn h ALA 136 N 6.08 0.94 -2.20 0.00 0.00 -1.39 -3.47 119.26 119.23 3kyn h ALA 136 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3kyn h ALA 136 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kyn h ALA 136 CO 0.61 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.46 3kyn n ASP 137 N -2.82 0.00 0.01 0.00 5.68 -1.26 -5.04 116.55 113.12 3kyn n ASP 137 Ca 0.04 -0.97 -0.12 0.00 -0.50 0.00 0.00 54.79 53.24 3kyn n ASP 137 Cb 0.50 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.50 3kyn n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3kyn h THR 138 N 0.97 1.33 -0.16 2.12 1.35 -1.98 -2.50 112.91 114.04 3kyn h THR 138 Ca 0.00 -1.98 0.04 0.00 -0.55 0.00 0.00 66.41 63.92 3kyn h THR 138 Cb 0.00 1.95 -0.04 0.00 -1.73 0.00 0.00 68.15 68.33 3kyn h THR 138 CO 0.00 0.61 -0.09 0.00 -0.25 0.00 0.00 175.52 175.79 3kyn h ALA 139 N 0.85 0.05 -0.06 6.62 0.00 -1.97 -2.67 119.26 122.07 3kyn h ALA 139 Ca -0.02 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3kyn h ALA 139 Cb 1.25 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3kyn h ALA 139 CO 0.13 -0.53 -0.11 0.00 0.00 0.00 0.00 179.25 178.74 3kyn h ALA 140 N 1.06 1.72 -0.55 0.00 0.00 -1.82 -0.63 119.26 119.04 3kyn h ALA 140 Ca 0.09 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.98 3kyn h ALA 140 Cb 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3kyn h ALA 140 CO -0.22 0.21 0.37 1.96 0.00 0.00 0.00 179.25 181.58 3kyn h GLN 141 N 0.08 0.27 -0.31 0.00 4.20 -1.08 0.12 115.11 118.40 3kyn h GLN 141 Ca 0.02 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3kyn h GLN 141 Cb 0.25 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3kyn h GLN 141 CO 0.02 0.18 0.03 0.82 -0.67 0.00 0.00 178.83 179.21 3kyn h ILE 142 N 0.28 1.24 -0.71 2.54 2.04 -1.12 -0.18 117.51 121.60 3kyn h ILE 142 Ca 0.26 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 3kyn h ILE 142 Cb 0.64 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3kyn h ILE 142 CO -0.06 0.28 0.41 0.28 0.00 0.00 0.00 178.15 179.06 3kyn h SER 143 N 0.33 0.87 0.30 1.72 0.02 -1.34 -1.68 113.55 113.77 3kyn h SER 143 Ca 0.09 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3kyn h SER 143 Cb 0.37 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3kyn h SER 143 CO 0.01 0.70 -0.14 0.50 -1.14 0.00 0.00 176.83 176.75 3kyn h LYS 144 N 0.97 -0.38 -0.74 3.45 3.64 -0.62 -1.43 116.57 121.47 3kyn h LYS 144 Ca 0.25 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.73 3kyn h LYS 144 Cb 0.00 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 3kyn h LYS 144 CO -0.04 -0.23 0.48 0.00 -2.27 0.00 0.00 179.45 177.39 3kyn h ARG 145 N -0.44 0.72 -0.53 1.90 3.08 -0.99 0.15 114.38 118.27 3kyn h ARG 145 Ca -0.04 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 3kyn h ARG 145 Cb 0.33 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3kyn h ARG 145 CO 0.07 0.48 0.01 -0.22 -1.07 0.00 0.00 179.97 179.23 3kyn h LYS 146 N 0.74 0.93 -0.44 0.04 3.64 -1.05 -0.87 116.57 119.56 3kyn h LYS 146 Ca 0.32 -0.29 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 3kyn h LYS 146 Cb 0.31 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3kyn h LYS 146 CO -0.11 0.94 -0.24 0.00 -2.27 0.00 0.00 179.45 177.77 3kyn h GLU 148 N 0.78 -0.13 0.00 0.00 5.08 -0.91 -0.84 114.58 118.56 3kyn h GLU 148 Ca 0.10 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 3kyn h GLU 148 Cb 0.82 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 3kyn h GLU 148 CO 0.07 -0.09 -0.37 0.00 -1.00 0.00 0.00 179.01 177.63 3kyn h ALA 149 N 0.84 1.37 -0.08 3.43 0.00 -1.10 -2.19 119.26 121.52 3kyn h ALA 149 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3kyn h ALA 149 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kyn h ALA 149 CO -0.07 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.64 3kyn n ALA 150 N -2.46 2.53 -2.95 0.00 0.00 -0.71 -4.96 120.51 111.96 3kyn n ALA 150 Ca -0.02 -0.55 -0.22 0.00 0.00 0.00 0.00 53.44 52.65 3kyn n ALA 150 Cb 0.41 -1.06 0.02 0.00 0.00 0.00 0.00 19.45 18.82 3kyn n ALA 150 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kyn n ASN 151 N 0.52 -5.77 0.21 0.00 3.02 -0.47 -4.90 115.26 107.87 3kyn n ASN 151 Ca 0.17 -0.24 0.07 0.00 -0.03 0.00 0.00 54.58 54.55 3kyn n ASN 151 Cb 0.41 -4.69 0.44 0.00 -0.61 0.00 0.00 39.78 35.33 3kyn n ASN 151 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3kyn h VAL 152 N -1.11 0.83 -0.61 2.41 -1.51 -1.48 -3.10 116.25 111.69 3kyn h VAL 152 Ca -0.51 -1.21 0.13 0.00 -1.23 0.00 0.00 66.70 63.88 3kyn h VAL 152 Cb 1.35 1.74 -0.10 0.00 -2.13 0.00 0.00 31.29 32.15 3kyn h VAL 152 CO 0.56 0.29 -0.00 0.00 -1.23 0.00 0.00 177.57 177.19 3kyn h ALA 153 N 1.70 0.59 -0.72 5.19 0.00 -1.91 0.46 119.26 124.57 3kyn h ALA 153 Ca -0.00 0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.18 3kyn h ALA 153 Cb 0.71 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 3kyn h ALA 153 CO 0.04 -0.39 0.47 1.49 0.00 0.00 0.00 179.25 180.86 3kyn h GLU 154 N 0.12 0.61 -0.05 0.00 4.81 -1.79 0.84 114.58 119.12 3kyn h GLU 154 Ca 0.31 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.33 3kyn h GLU 154 Cb 0.51 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3kyn h GLU 154 CO -0.52 0.41 -0.73 1.96 -0.73 0.00 0.00 179.01 179.39 3kyn h GLN 155 N 0.63 0.27 -0.22 1.92 4.20 -1.10 -2.56 115.11 118.25 3kyn h GLN 155 Ca 0.33 -0.23 -0.13 0.00 0.06 0.00 0.00 58.65 58.67 3kyn h GLN 155 Cb 0.44 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 3kyn h GLN 155 CO -0.11 0.89 -0.37 0.00 -0.67 0.00 0.00 178.83 178.57 3kyn h ARG 156 N 0.18 0.64 -0.84 1.46 2.47 -0.53 -2.92 114.38 114.84 3kyn h ARG 156 Ca -0.03 -0.40 0.02 0.00 -1.26 0.00 0.00 59.98 58.32 3kyn h ARG 156 Cb 1.30 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 29.62 3kyn h ARG 156 CO 0.12 1.01 0.55 -0.09 0.56 0.00 0.00 179.97 182.12 3kyn h ARG 157 N 0.34 1.07 -0.62 0.04 2.43 -0.90 -0.52 114.38 116.23 3kyn h ARG 157 Ca 0.02 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 3kyn h ARG 157 Cb 0.96 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 3kyn h ARG 157 CO 0.08 0.71 0.02 0.00 -1.51 0.00 0.00 179.97 179.27 3kyn h ALA 158 N 1.49 0.83 -0.19 2.80 0.00 -1.40 0.25 119.26 123.04 3kyn h ALA 158 Ca 0.32 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3kyn h ALA 158 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3kyn h ALA 158 CO -0.08 0.65 0.00 -0.92 0.00 0.00 0.00 179.25 178.91 3kyn h TYR 159 N 0.98 0.36 -0.50 0.00 3.20 -1.26 -1.33 116.97 118.42 3kyn h TYR 159 Ca 0.18 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3kyn h TYR 159 Cb 0.54 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 3kyn h TYR 159 CO 0.04 0.53 0.18 -0.07 -1.64 0.00 0.00 178.16 177.20 3kyn h LEU 160 N 0.09 0.70 -0.08 2.82 3.38 -0.80 0.18 115.31 121.59 3kyn h LEU 160 Ca 0.05 -0.18 -0.22 0.00 0.09 0.00 0.00 57.88 57.62 3kyn h LEU 160 Cb 0.38 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3kyn h LEU 160 CO 0.01 0.69 -1.01 -0.33 0.09 0.00 0.00 178.44 177.89 3kyn h GLU 161 N 0.66 0.12 0.00 1.13 5.08 -0.59 -3.33 114.58 117.66 3kyn h GLU 161 Ca 0.16 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3kyn h GLU 161 Cb 0.22 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3kyn h GLU 161 CO -0.01 1.02 0.00 0.41 -1.00 0.00 0.00 179.01 179.43 3kyn n GLY 162 N 1.21 -0.27 0.30 -3.84 0.00 -0.50 -4.57 105.19 97.53 3kyn n GLY 162 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.02 3kyn n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kyn h THR 163 N 0.00 0.88 -0.60 2.61 2.02 -1.49 -1.76 112.91 114.57 3kyn h THR 163 Ca 0.00 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 3kyn h THR 163 Cb 0.00 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.44 3kyn h THR 163 CO 0.00 0.14 0.21 0.00 0.37 0.00 0.00 175.52 176.23 3kyn h VAL 165 N 0.85 1.31 -0.50 0.00 2.07 -1.55 -2.34 116.25 116.10 3kyn h VAL 165 Ca 0.20 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.65 3kyn h VAL 165 Cb 0.26 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 3kyn h VAL 165 CO -0.01 0.27 0.31 -0.08 0.02 0.00 0.00 177.57 178.09 3kyn h GLU 166 N -0.50 0.67 -0.02 1.57 4.81 -1.27 -1.96 114.58 117.88 3kyn h GLU 166 Ca -0.00 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 3kyn h GLU 166 Cb 0.47 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3kyn h GLU 166 CO 0.01 0.47 -0.69 -1.49 -0.73 0.00 0.00 179.01 176.58 3kyn h TRP 167 N 0.67 0.14 -0.42 0.92 4.06 -1.43 -1.63 115.95 118.27 3kyn h TRP 167 Ca 0.18 -0.06 0.03 0.00 2.06 0.00 0.00 58.89 61.10 3kyn h TRP 167 Cb -0.04 -0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 28.07 3kyn h TRP 167 CO -0.03 0.76 0.21 1.25 -3.56 0.00 0.00 178.44 177.06 3kyn h LEU 168 N 0.07 0.30 -0.90 -4.49 5.85 -1.09 -0.55 115.31 114.49 3kyn h LEU 168 Ca -0.01 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3kyn h LEU 168 Cb 1.22 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 3kyn h LEU 168 CO 0.10 0.21 0.60 0.45 -0.34 0.00 0.00 178.44 179.46 3kyn h HIS 169 N 0.42 1.12 0.11 1.25 3.86 -1.06 -0.81 115.15 120.04 3kyn h HIS 169 Ca 0.18 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3kyn h HIS 169 Cb 0.09 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 3kyn h HIS 169 CO -0.10 0.69 -0.10 -0.09 0.86 0.00 0.00 177.93 179.19 3kyn h ARG 170 N 1.19 -0.21 -0.52 2.45 2.43 -0.83 -2.45 114.38 116.44 3kyn h ARG 170 Ca 0.34 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.47 3kyn h ARG 170 Cb -0.09 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3kyn h ARG 170 CO -0.09 -0.14 0.10 1.88 -1.51 0.00 0.00 179.97 180.21 3kyn h TYR 171 N -0.22 0.84 -0.14 2.20 0.05 -0.79 0.44 116.97 119.35 3kyn h TYR 171 Ca -0.00 -0.09 -0.07 0.00 0.05 0.00 0.00 58.73 58.62 3kyn h TYR 171 Cb 0.21 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 3kyn h TYR 171 CO -0.11 0.72 -0.23 -0.07 -1.05 0.00 0.00 178.16 177.43 3kyn h LEU 172 N 0.78 0.23 0.01 3.88 3.38 -1.11 0.24 115.31 122.72 3kyn h LEU 172 Ca 0.17 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3kyn h LEU 172 Cb 0.33 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3kyn h LEU 172 CO 0.00 0.47 -0.08 -0.33 0.09 0.00 0.00 178.44 178.59 3kyn h GLU 173 N 0.22 0.04 -0.35 1.13 4.39 -0.90 -2.83 114.58 116.28 3kyn h GLU 173 Ca 0.04 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 3kyn h GLU 173 Cb 0.53 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 3kyn h GLU 173 CO 0.04 0.93 0.04 -0.91 -1.16 0.00 0.00 179.01 177.95 3kyn h ASN 174 N -0.82 0.49 -0.66 1.42 2.35 -0.87 -2.88 115.58 114.60 3kyn h ASN 174 Ca -0.01 -0.08 -0.38 0.00 -0.55 0.00 0.00 56.30 55.28 3kyn h ASN 174 Cb 0.97 -0.13 -0.22 0.00 0.05 0.00 0.00 38.32 38.99 3kyn h ASN 174 CO 0.02 0.53 0.19 0.61 -1.65 0.00 0.00 177.43 177.13 3kyn n GLY 175 N -0.97 5.06 0.36 2.83 0.00 0.06 -4.82 105.19 107.72 3kyn n GLY 175 Ca 0.02 -1.47 0.21 0.00 0.00 0.00 0.00 46.02 44.78 3kyn n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kyn h LYS 176 N 1.24 0.46 -0.05 1.61 3.64 -1.27 0.20 116.57 122.41 3kyn h LYS 176 Ca 0.41 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.57 3kyn h LYS 176 Cb 1.89 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.60 3kyn h LYS 176 CO 0.80 0.31 -0.79 0.93 -2.27 0.00 0.00 179.45 178.43 3kyn h GLU 177 N 0.48 0.36 0.11 1.90 5.08 -1.87 -0.89 114.58 119.75 3kyn h GLU 177 Ca 0.67 -0.32 -0.29 0.00 -1.00 0.00 0.00 59.36 58.41 3kyn h GLU 177 Cb 1.42 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 3kyn h GLU 177 CO -0.48 0.98 -1.41 1.98 -1.00 0.00 0.00 179.01 179.09 3kyn h MET 178 N 0.23 0.24 0.00 2.33 4.05 -1.59 -3.37 114.93 116.82 3kyn h MET 178 Ca -0.04 -0.40 -0.36 0.00 -0.28 0.00 0.00 59.70 58.61 3kyn h MET 178 Cb 1.38 0.15 -0.07 0.00 -0.80 0.00 0.00 31.60 32.26 3kyn h MET 178 CO 0.13 1.12 -2.37 1.28 0.23 0.00 0.00 176.91 177.30 3kyn n LEU 179 N -3.46 2.20 -2.20 3.39 4.77 0.57 -4.37 117.00 117.90 3kyn n LEU 179 Ca -0.13 -0.10 -0.24 0.00 -0.03 0.00 0.00 56.01 55.51 3kyn n LEU 179 Cb 1.03 -0.51 0.17 0.00 -2.33 0.00 0.00 43.42 41.78 3kyn n LEU 179 CO 0.51 0.80 1.28 0.00 -1.33 0.00 0.00 177.39 178.65 3kyn n GLN 180 N -3.08 2.29 -2.58 3.23 6.02 -0.34 -4.90 117.38 118.01 3kyn n GLN 180 Ca -0.40 -3.05 -0.23 0.00 -0.01 0.00 0.00 57.00 53.30 3kyn n GLN 180 Cb 1.00 -2.18 0.10 0.00 1.02 0.00 0.00 30.24 30.18 3kyn n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3kyn s ARG 181 N -3.36 1.80 -0.44 -1.09 1.70 -1.25 -4.93 118.95 111.38 3kyn s ARG 181 Ca 0.57 -1.04 0.08 0.00 -0.47 0.00 0.00 55.73 54.87 3kyn s ARG 181 Cb 0.48 -2.35 0.31 0.00 -0.57 0.00 0.00 34.95 32.83 3kyn s ARG 181 CO 0.09 -1.35 0.94 0.00 -1.08 0.00 0.00 175.30 173.90 3kyn n ALA 182 N -2.77 0.10 -1.54 7.88 0.00 -1.26 -4.71 120.51 118.20 3kyn n ALA 182 Ca 0.14 -2.11 -0.50 0.00 0.00 0.00 0.00 53.44 50.97 3kyn n ALA 182 Cb 0.60 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 3kyn n ALA 182 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kyn n ASP 183 N 0.60 2.59 -4.77 0.00 9.92 -0.75 -3.71 116.55 120.43 3kyn n ASP 183 Ca 0.13 0.55 -0.32 0.00 -0.53 0.00 0.00 54.79 54.61 3kyn n ASP 183 Cb 0.67 -1.32 0.06 0.00 -0.64 0.00 0.00 41.12 39.89 3kyn n ASP 183 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3kyn s PRO 184 N 5.59 2.67 0.36 -0.24 0.04 -1.26 -1.47 135.00 140.68 3kyn s PRO 184 Ca 1.04 1.31 -0.27 0.00 0.04 0.00 0.00 61.00 63.12 3kyn s PRO 184 Cb -0.76 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 31.75 3kyn s PRO 184 CO 0.49 -1.34 1.14 -1.25 0.04 0.00 0.00 177.00 176.08 3kyn s PRO 185 N -4.35 4.27 -0.03 0.56 0.04 -1.26 -4.46 135.00 129.77 3kyn s PRO 185 Ca 0.65 1.81 -0.29 0.00 0.04 0.00 0.00 61.00 63.21 3kyn s PRO 185 Cb -0.19 -2.84 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 3kyn s PRO 185 CO 0.46 -0.12 0.95 0.15 0.04 0.00 0.00 177.00 178.48 3kyn s LYS 186 N -2.03 4.51 0.01 4.56 1.02 0.13 -4.80 119.74 123.13 3kyn s LYS 186 Ca 0.53 1.35 0.05 0.00 0.02 0.00 0.00 55.97 57.92 3kyn s LYS 186 Cb -0.30 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.51 3kyn s LYS 186 CO 0.39 -0.10 -0.17 0.95 -0.92 0.00 0.00 175.35 175.50 3kyn s THR 187 N 1.23 1.34 0.18 2.17 -4.23 -1.26 -0.88 115.64 114.18 3kyn s THR 187 Ca 0.49 -0.84 -0.17 0.00 -1.18 0.00 0.00 61.69 59.99 3kyn s THR 187 Cb -0.20 -1.14 0.03 0.00 1.34 0.00 0.00 72.50 72.54 3kyn s THR 187 CO 0.24 0.28 0.50 -1.38 -0.54 0.00 0.00 174.62 173.73 3kyn s HIS 188 N -0.53 -0.16 -0.14 3.99 -3.43 -1.11 -5.02 115.29 108.88 3kyn s HIS 188 Ca 0.06 -0.16 0.00 0.00 -0.80 0.00 0.00 55.06 54.16 3kyn s HIS 188 Cb -0.07 0.37 -0.01 0.00 -1.43 0.00 0.00 32.58 31.44 3kyn s HIS 188 CO 0.00 -0.86 -0.15 0.08 -2.00 0.00 0.00 174.74 171.82 3kyn s VAL 189 N -3.85 2.83 0.12 -5.38 1.01 -1.26 -1.18 120.40 112.69 3kyn s VAL 189 Ca 0.07 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.35 3kyn s VAL 189 Cb -0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3kyn s VAL 189 CO -0.06 0.52 0.22 0.42 0.00 0.00 0.00 175.10 176.20 3kyn s THR 190 N 0.55 5.13 -0.12 3.92 -4.23 -0.32 -4.88 115.64 115.69 3kyn s THR 190 Ca -0.09 -0.66 0.03 0.00 -1.18 0.00 0.00 61.69 59.79 3kyn s THR 190 Cb -0.16 -3.58 0.01 0.00 1.34 0.00 0.00 72.50 70.11 3kyn s THR 190 CO 0.04 0.00 -0.21 -2.28 -0.54 0.00 0.00 174.62 171.63 3kyn s HIS 191 N -1.63 2.42 -0.41 3.99 5.04 -1.26 -1.59 115.29 121.85 3kyn s HIS 191 Ca 0.34 -1.12 0.02 0.00 -1.54 0.00 0.00 55.06 52.75 3kyn s HIS 191 Cb -0.12 -1.66 0.13 0.00 0.04 0.00 0.00 32.58 30.97 3kyn s HIS 191 CO 0.27 -0.51 0.20 -1.01 -2.34 0.00 0.00 174.74 171.35 3kyn s HIS 192 N 0.70 2.11 0.71 3.88 3.76 -0.41 -4.97 115.29 121.07 3kyn s HIS 192 Ca -0.11 -2.37 -0.16 0.00 -0.15 0.00 0.00 55.06 52.27 3kyn s HIS 192 Cb -0.16 -1.98 0.03 0.00 1.11 0.00 0.00 32.58 31.57 3kyn s HIS 192 CO 0.02 -0.81 1.24 -2.30 -0.85 0.00 0.00 174.74 172.03 3kyn n PRO 193 N 3.84 0.73 -3.73 8.40 -0.02 -1.26 -1.46 135.00 141.50 3kyn n PRO 193 Ca 0.06 0.31 -0.28 0.00 -2.02 0.00 0.00 63.50 61.57 3kyn n PRO 193 Cb 0.36 -2.47 -0.16 0.00 -0.02 0.00 0.00 33.50 31.21 3kyn n PRO 193 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kyn s VAL 194 N -1.69 0.60 0.09 -1.45 1.01 0.89 -4.90 120.40 114.96 3kyn s VAL 194 Ca 0.79 -0.82 -0.34 0.00 0.00 0.00 0.00 61.98 61.60 3kyn s VAL 194 Cb -0.35 -1.23 -0.13 0.00 0.00 0.00 0.00 36.38 34.68 3kyn s VAL 194 CO 0.45 -0.37 1.66 0.33 0.00 0.00 0.00 175.10 177.16 3kyn n PHE 195 N 5.00 2.27 -2.23 5.22 7.35 -1.26 -1.59 117.46 132.21 3kyn n PHE 195 Ca -0.07 0.20 -0.06 0.00 -0.76 0.00 0.00 57.45 56.76 3kyn n PHE 195 Cb 0.45 -2.57 0.07 0.00 0.35 0.00 0.00 39.48 37.78 3kyn n PHE 195 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3kyn n ASP 196 N 4.28 2.64 -0.05 -2.13 5.68 -1.26 -4.87 116.55 120.84 3kyn n ASP 196 Ca 0.19 -3.02 -0.06 0.00 -0.50 0.00 0.00 54.79 51.40 3kyn n ASP 196 Cb 0.29 -0.41 -0.06 0.00 -1.14 0.00 0.00 41.12 39.80 3kyn n ASP 196 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kyn n TYR 197 N -0.56 0.00 -4.05 2.11 4.11 -0.62 -4.72 117.16 113.42 3kyn n TYR 197 Ca 0.22 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 58.01 3kyn n TYR 197 Cb 0.89 -0.43 -0.06 0.00 -0.00 0.00 0.00 39.34 39.74 3kyn n TYR 197 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.86 175.03 3kyn s GLU 198 N -2.22 1.56 0.12 -3.48 -1.05 -1.17 -0.05 118.70 112.42 3kyn s GLU 198 Ca -0.11 -1.42 -0.08 0.00 -0.15 0.00 0.00 54.97 53.22 3kyn s GLU 198 Cb 0.03 0.43 -0.01 0.00 -0.44 0.00 0.00 34.13 34.15 3kyn s GLU 198 CO 0.30 -0.63 0.21 0.00 0.95 0.00 0.00 175.26 176.09 3kyn s ALA 199 N -3.85 -0.02 -0.20 -0.84 0.00 -0.04 -0.07 121.76 116.74 3kyn s ALA 199 Ca 0.27 -0.81 -0.07 0.00 0.00 0.00 0.00 51.96 51.35 3kyn s ALA 199 Cb 0.01 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 3kyn s ALA 199 CO 0.12 -0.56 0.05 0.99 0.00 0.00 0.00 175.76 176.36 3kyn s THR 200 N -3.92 4.57 -0.24 0.00 2.01 -0.53 0.38 115.64 117.91 3kyn s THR 200 Ca 0.12 -0.11 -0.09 0.00 0.31 0.00 0.00 61.69 61.92 3kyn s THR 200 Cb 0.04 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 3kyn s THR 200 CO -0.05 0.43 0.12 -0.76 -0.69 0.00 0.00 174.62 173.67 3kyn s LEU 201 N 0.68 3.85 -0.22 4.42 1.43 0.12 -1.28 118.68 127.67 3kyn s LEU 201 Ca 0.03 0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3kyn s LEU 201 Cb -0.13 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.09 3kyn s LEU 201 CO 0.02 0.05 -0.13 -0.60 0.23 0.00 0.00 176.35 175.91 3kyn s ARG 202 N 1.16 2.76 -0.32 1.70 3.52 -0.62 -0.22 118.95 126.93 3kyn s ARG 202 Ca 0.06 -1.00 -0.21 0.00 -0.13 0.00 0.00 55.73 54.44 3kyn s ARG 202 Cb -0.14 -2.79 -0.00 0.00 -1.56 0.00 0.00 34.95 30.46 3kyn s ARG 202 CO 0.05 -0.36 0.69 0.00 -0.81 0.00 0.00 175.30 174.86 3kyn s TRP 204 N 2.77 3.33 -0.16 0.00 0.52 -0.32 -1.10 118.94 123.98 3kyn s TRP 204 Ca 0.27 0.20 0.01 0.00 0.02 0.00 0.00 56.10 56.61 3kyn s TRP 204 Cb -0.14 -2.08 0.01 0.00 -1.15 0.00 0.00 33.47 30.10 3kyn s TRP 204 CO 0.13 0.26 -0.19 0.00 0.02 0.00 0.00 176.95 177.18 3kyn s ALA 205 N 0.19 2.36 0.03 0.98 0.00 -0.01 -2.76 121.76 122.55 3kyn s ALA 205 Ca 0.06 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.91 3kyn s ALA 205 Cb -0.12 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 3kyn s ALA 205 CO -0.00 -0.19 -0.09 -0.51 0.00 0.00 0.00 175.76 174.97 3kyn s LEU 206 N 1.06 2.18 -1.26 0.00 1.43 -0.06 -1.43 118.68 120.60 3kyn s LEU 206 Ca -0.01 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 3kyn s LEU 206 Cb -0.14 -0.31 0.01 0.00 0.03 0.00 0.00 46.19 45.77 3kyn s LEU 206 CO -0.06 -0.08 0.91 0.61 0.23 0.00 0.00 176.35 177.96 3kyn n GLY 207 N 1.90 -0.39 3.71 -3.19 0.00 -0.98 0.19 105.19 106.44 3kyn n GLY 207 Ca -0.19 0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 3kyn n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kyn s PHE 208 N -3.24 2.99 -0.15 1.61 -0.71 -0.99 -4.63 117.98 112.86 3kyn s PHE 208 Ca 0.45 -0.05 -0.12 0.00 -1.04 0.00 0.00 56.93 56.17 3kyn s PHE 208 Cb -0.20 -1.49 0.04 0.00 -1.21 0.00 0.00 43.02 40.16 3kyn s PHE 208 CO 0.56 0.50 0.39 -0.47 -1.34 0.00 0.00 175.22 174.86 3kyn s TYR 209 N -1.52 -0.47 0.68 3.49 5.04 -0.54 0.16 117.35 124.20 3kyn s TYR 209 Ca 0.27 1.09 -0.12 0.00 -2.44 0.00 0.00 57.07 55.88 3kyn s TYR 209 Cb -0.11 0.17 0.16 0.00 0.35 0.00 0.00 41.96 42.54 3kyn s TYR 209 CO 0.20 -0.24 0.72 -0.35 -1.34 0.00 0.00 175.55 174.54 3kyn n PRO 210 N 3.25 -1.68 -0.13 4.97 -0.04 -1.26 -1.80 135.00 138.31 3kyn n PRO 210 Ca -0.16 -1.13 0.02 0.00 -0.04 0.00 0.00 63.50 62.18 3kyn n PRO 210 Cb 0.57 -0.92 0.31 0.00 -0.04 0.00 0.00 33.50 33.41 3kyn n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kyn h ALA 211 N -2.21 1.54 -2.14 0.55 0.00 -1.96 -3.44 119.26 111.61 3kyn h ALA 211 Ca -0.25 -0.05 -0.57 0.00 0.00 0.00 0.00 54.91 54.04 3kyn h ALA 211 Cb 0.74 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.30 3kyn h ALA 211 CO 0.17 0.41 1.29 -1.91 0.00 0.00 0.00 179.25 179.21 3kyn n GLU 212 N -4.43 2.43 -3.74 0.00 2.13 -1.26 -4.93 120.64 110.83 3kyn n GLU 212 Ca 0.06 0.84 -0.11 0.00 0.66 0.00 0.00 57.16 58.61 3kyn n GLU 212 Cb 0.05 -2.98 -0.07 0.00 0.27 0.00 0.00 31.44 28.71 3kyn n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 3kyn s ILE 213 N 5.55 0.09 -0.08 6.31 2.07 -1.26 -4.58 121.20 129.30 3kyn s ILE 213 Ca 0.94 -0.73 -0.01 0.00 -1.41 0.00 0.00 60.65 59.44 3kyn s ILE 213 Cb -0.47 -1.06 0.03 0.00 0.13 0.00 0.00 42.46 41.08 3kyn s ILE 213 CO 0.42 -0.40 -0.01 -0.63 -1.91 0.00 0.00 174.94 172.41 3kyn s ILE 214 N -3.05 0.48 -0.10 2.00 1.01 -0.63 -5.00 121.20 115.91 3kyn s ILE 214 Ca -0.01 0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.70 3kyn s ILE 214 Cb 0.01 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 3kyn s ILE 214 CO -0.07 0.28 -0.13 -0.76 0.00 0.00 0.00 174.94 174.26 3kyn s LEU 215 N 1.90 2.75 -0.13 2.97 1.43 -1.26 -1.38 118.68 124.96 3kyn s LEU 215 Ca 0.05 -0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 52.79 3kyn s LEU 215 Cb -0.12 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.54 3kyn s LEU 215 CO -0.06 0.24 0.33 0.42 0.23 0.00 0.00 176.35 177.52 3kyn s THR 216 N -0.11 -0.01 0.04 5.49 -4.23 -0.42 -4.98 115.64 111.42 3kyn s THR 216 Ca -0.01 0.05 -0.10 0.00 -1.18 0.00 0.00 61.69 60.44 3kyn s THR 216 Cb -0.14 -0.48 -0.05 0.00 1.34 0.00 0.00 72.50 73.17 3kyn s THR 216 CO 0.03 0.02 0.37 0.26 -0.54 0.00 0.00 174.62 174.76 3kyn s TRP 217 N 0.62 3.61 0.01 3.99 0.52 -1.26 0.70 118.94 127.14 3kyn s TRP 217 Ca -0.04 0.78 -0.01 0.00 0.02 0.00 0.00 56.10 56.86 3kyn s TRP 217 Cb -0.05 -2.15 -0.01 0.00 -1.15 0.00 0.00 33.47 30.11 3kyn s TRP 217 CO -0.04 0.57 -0.01 1.14 0.02 0.00 0.00 176.95 178.63 3kyn s GLN 218 N -1.68 0.24 -0.24 4.98 -2.07 0.11 -3.12 119.66 117.89 3kyn s GLN 218 Ca 0.29 -0.43 0.01 0.00 -1.82 0.00 0.00 55.36 53.41 3kyn s GLN 218 Cb -0.14 0.09 0.04 0.00 -1.09 0.00 0.00 33.01 31.90 3kyn s GLN 218 CO 0.16 -0.04 -0.12 0.50 -1.32 0.00 0.00 175.29 174.47 3kyn s ARG 219 N -1.06 2.62 0.00 9.60 3.52 -1.26 -0.69 118.95 131.67 3kyn s ARG 219 Ca -0.12 -1.10 0.00 0.00 -0.13 0.00 0.00 55.73 54.38 3kyn s ARG 219 Cb -0.07 -2.84 0.00 0.00 -1.56 0.00 0.00 34.95 30.48 3kyn s ARG 219 CO -0.01 -0.42 0.00 -0.25 -0.81 0.00 0.00 175.30 173.81 3kyn n ASP 220 N 4.56 0.00 -4.42 -2.12 8.00 -0.13 -1.02 116.55 121.42 3kyn n ASP 220 Ca -0.17 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.00 3kyn n ASP 220 Cb 0.46 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.42 3kyn n ASP 220 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3kyn s GLY 221 N -2.20 1.59 -0.08 0.44 0.00 -1.26 -5.12 107.32 100.68 3kyn s GLY 221 Ca 0.00 -0.88 0.20 0.00 0.00 0.00 0.00 44.72 44.04 3kyn s GLY 221 CO 0.00 -0.24 1.19 1.18 0.00 0.00 0.00 173.10 175.23 3kyn n GLU 222 N 3.35 0.61 -2.80 2.90 1.02 -0.19 -5.02 120.64 120.52 3kyn n GLU 222 Ca -0.18 -2.50 -0.01 0.00 -0.02 0.00 0.00 57.16 54.45 3kyn n GLU 222 Cb 0.53 -0.62 0.00 0.00 -0.02 0.00 0.00 31.44 31.33 3kyn n GLU 222 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3kyn n ASP 223 N -0.12 -7.84 -4.29 1.62 8.00 -1.26 -4.82 116.55 107.83 3kyn n ASP 223 Ca 0.11 1.22 -0.41 0.00 0.71 0.00 0.00 54.79 56.42 3kyn n ASP 223 Cb 0.97 -4.86 -0.10 0.00 -0.02 0.00 0.00 41.12 37.12 3kyn n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kyn s GLN 224 N -1.66 2.66 0.16 -1.24 0.00 -1.18 -4.93 119.66 113.46 3kyn s GLN 224 Ca 0.03 -1.43 0.08 0.00 -0.00 0.00 0.00 55.36 54.04 3kyn s GLN 224 Cb -0.01 -3.82 -0.08 0.00 0.00 0.00 0.00 33.01 29.11 3kyn s GLN 224 CO 0.69 -0.95 1.36 1.15 0.00 0.00 0.00 175.29 177.54 3kyn h THR 225 N 6.03 1.63 -0.64 3.63 2.02 -1.95 -3.36 112.91 120.26 3kyn h THR 225 Ca -0.24 -3.10 0.03 0.00 0.77 0.00 0.00 66.41 63.87 3kyn h THR 225 Cb 1.09 2.68 -0.04 0.00 -1.74 0.00 0.00 68.15 70.14 3kyn h THR 225 CO 0.77 0.88 0.40 1.56 0.37 0.00 0.00 175.52 179.50 3kyn h GLN 226 N 0.00 0.77 -0.01 6.66 1.08 -2.01 -2.68 115.11 118.93 3kyn h GLN 226 Ca -0.01 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3kyn h GLN 226 Cb 1.61 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.87 3kyn h GLN 226 CO 0.12 0.51 -0.29 -0.25 -0.95 0.00 0.00 178.83 177.97 3kyn n ASP 227 N -4.70 1.59 -4.72 1.46 8.00 -1.26 -4.91 116.55 112.01 3kyn n ASP 227 Ca 0.06 -1.27 -0.41 0.00 0.71 0.00 0.00 54.79 53.88 3kyn n ASP 227 Cb 0.07 0.23 -0.04 0.00 -0.02 0.00 0.00 41.12 41.37 3kyn n ASP 227 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kyn s VAL 228 N -2.40 4.59 -0.28 2.53 1.01 -1.01 -4.64 120.40 120.20 3kyn s VAL 228 Ca 0.24 2.06 -0.15 0.00 0.00 0.00 0.00 61.98 64.13 3kyn s VAL 228 Cb 0.19 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 3kyn s VAL 228 CO 0.50 0.28 0.39 -0.70 0.00 0.00 0.00 175.10 175.57 3kyn s GLU 229 N 0.26 3.96 -0.23 2.72 2.12 -0.40 -4.95 118.70 122.19 3kyn s GLU 229 Ca 0.48 0.02 0.02 0.00 0.36 0.00 0.00 54.97 55.85 3kyn s GLU 229 Cb -0.23 -3.68 0.04 0.00 0.26 0.00 0.00 34.13 30.53 3kyn s GLU 229 CO 0.29 -0.32 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.38 3kyn s LEU 230 N 2.11 2.86 0.64 2.70 2.96 -1.26 -0.58 118.68 128.11 3kyn s LEU 230 Ca 0.15 -1.08 -0.13 0.00 -0.22 0.00 0.00 54.13 52.85 3kyn s LEU 230 Cb -0.16 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 3kyn s LEU 230 CO 0.10 -0.12 1.05 0.68 -1.32 0.00 0.00 176.35 176.74 3kyn s VAL 231 N 1.20 4.07 0.34 1.68 -7.23 -0.99 -5.01 120.40 114.46 3kyn s VAL 231 Ca -0.03 0.78 -0.28 0.00 -1.81 0.00 0.00 61.98 60.64 3kyn s VAL 231 Cb -0.17 -3.46 -0.10 0.00 0.56 0.00 0.00 36.38 33.21 3kyn s VAL 231 CO -0.08 -0.77 1.27 -0.70 -0.31 0.00 0.00 175.10 174.51 3kyn s GLU 232 N -4.70 4.30 0.18 4.82 2.12 -1.26 -4.66 118.70 119.51 3kyn s GLU 232 Ca 0.59 2.13 -0.31 0.00 0.36 0.00 0.00 54.97 57.74 3kyn s GLU 232 Cb -0.14 -3.00 -0.10 0.00 0.26 0.00 0.00 34.13 31.15 3kyn s GLU 232 CO 0.48 -0.20 1.58 0.99 -0.54 0.00 0.00 175.26 177.56 3kyn s THR 233 N -1.19 2.52 0.09 -1.70 2.01 -1.26 -4.85 115.64 111.26 3kyn s THR 233 Ca 0.50 0.38 0.06 0.00 0.31 0.00 0.00 61.69 62.95 3kyn s THR 233 Cb -0.38 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 3kyn s THR 233 CO 0.50 0.03 -0.16 0.00 -0.69 0.00 0.00 174.62 174.30 3kyn s ARG 234 N 0.92 0.96 0.23 4.92 1.70 -0.48 -4.95 118.95 122.24 3kyn s ARG 234 Ca 0.69 -1.08 -0.30 0.00 -0.47 0.00 0.00 55.73 54.58 3kyn s ARG 234 Cb -0.45 -1.03 -0.09 0.00 -0.57 0.00 0.00 34.95 32.81 3kyn s ARG 234 CO 0.33 0.23 1.14 -1.25 -1.08 0.00 0.00 175.30 174.67 3kyn s PRO 235 N -1.96 4.57 0.28 3.89 0.04 -1.26 -0.80 135.00 139.76 3kyn s PRO 235 Ca 0.03 1.83 0.15 0.00 0.04 0.00 0.00 61.00 63.04 3kyn s PRO 235 Cb -0.09 -3.22 0.14 0.00 0.04 0.00 0.00 34.50 31.37 3kyn s PRO 235 CO 0.03 0.06 1.48 0.00 0.04 0.00 0.00 177.00 178.61 3kyn h ALA 236 N 4.59 0.69 0.00 8.56 0.00 -1.59 -3.47 119.26 128.04 3kyn h ALA 236 Ca -0.45 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 53.98 3kyn h ALA 236 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3kyn h ALA 236 CO 0.71 0.66 0.00 0.41 0.00 0.00 0.00 179.25 181.02 3kyn n GLY 237 N 1.08 2.63 1.54 0.00 0.00 -1.26 -4.91 105.19 104.27 3kyn n GLY 237 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 3kyn n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kyn n ASP 238 N 0.00 5.05 0.00 1.61 5.68 -1.26 -4.94 116.55 122.68 3kyn n ASP 238 Ca 0.00 -2.89 0.00 0.00 -0.50 0.00 0.00 54.79 51.40 3kyn n ASP 238 Cb 0.00 -0.62 0.00 0.00 -1.14 0.00 0.00 41.12 39.36 3kyn n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kyn n GLY 239 N 0.33 3.24 3.96 6.12 0.00 -1.26 -5.05 105.19 112.53 3kyn n GLY 239 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 3kyn n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kyn s THR 240 N -2.63 2.53 0.37 2.61 -4.23 -1.26 -4.92 115.64 108.11 3kyn s THR 240 Ca 0.00 -0.51 0.08 0.00 -1.18 0.00 0.00 61.69 60.08 3kyn s THR 240 Cb 0.00 -3.01 -0.07 0.00 1.34 0.00 0.00 72.50 70.77 3kyn s THR 240 CO 0.00 -0.00 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.70 3kyn s PHE 241 N -2.95 2.48 0.06 3.99 0.08 0.12 -1.51 117.98 120.25 3kyn s PHE 241 Ca 0.58 -0.56 0.02 0.00 0.12 0.00 0.00 56.93 57.09 3kyn s PHE 241 Cb -0.10 -1.59 -0.03 0.00 -0.57 0.00 0.00 43.02 40.72 3kyn s PHE 241 CO 0.41 0.49 -0.08 -0.65 -0.10 0.00 0.00 175.22 175.29 3kyn s GLN 242 N -3.68 0.60 -0.10 0.44 -0.21 0.02 -2.32 119.66 114.41 3kyn s GLN 242 Ca 0.34 -0.89 -0.30 0.00 0.02 0.00 0.00 55.36 54.53 3kyn s GLN 242 Cb 0.05 -0.29 0.10 0.00 1.00 0.00 0.00 33.01 33.88 3kyn s GLN 242 CO 0.18 0.04 0.86 0.21 -2.12 0.00 0.00 175.29 174.46 3kyn s LYS 243 N -2.09 0.80 0.07 2.91 2.20 -0.52 -1.39 119.74 121.73 3kyn s LYS 243 Ca -0.05 0.13 -0.03 0.00 -0.36 0.00 0.00 55.97 55.65 3kyn s LYS 243 Cb -0.07 0.38 -0.03 0.00 -1.51 0.00 0.00 37.83 36.60 3kyn s LYS 243 CO -0.01 -0.26 0.05 1.67 -0.36 0.00 0.00 175.35 176.43 3kyn s TRP 244 N -1.40 0.44 -0.06 4.03 1.48 -1.26 -0.83 118.94 121.34 3kyn s TRP 244 Ca -0.04 -0.94 -0.01 0.00 -1.06 0.00 0.00 56.10 54.04 3kyn s TRP 244 Cb -0.00 -0.30 0.03 0.00 -1.16 0.00 0.00 33.47 32.04 3kyn s TRP 244 CO 0.03 -0.45 0.01 0.00 -4.06 0.00 0.00 176.95 172.49 3kyn s ALA 245 N -3.92 0.53 0.04 2.67 0.00 -0.26 -2.34 121.76 118.49 3kyn s ALA 245 Ca 0.08 -0.00 0.06 0.00 0.00 0.00 0.00 51.96 52.10 3kyn s ALA 245 Cb 0.07 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 3kyn s ALA 245 CO -0.09 -0.39 -0.12 0.00 0.00 0.00 0.00 175.76 175.15 3kyn s ALA 246 N 1.84 2.81 -0.05 0.00 0.00 0.25 -0.03 121.76 126.59 3kyn s ALA 246 Ca 0.02 -1.14 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 3kyn s ALA 246 Cb -0.12 -0.90 0.03 0.00 0.00 0.00 0.00 23.12 22.12 3kyn s ALA 246 CO -0.04 0.60 0.12 0.54 0.00 0.00 0.00 175.76 176.98 3kyn s VAL 247 N -1.01 -0.04 -0.41 0.00 0.11 0.69 -1.28 120.40 118.47 3kyn s VAL 247 Ca 0.17 0.14 -0.23 0.00 -2.93 0.00 0.00 61.98 59.13 3kyn s VAL 247 Cb -0.11 -0.20 0.02 0.00 -1.53 0.00 0.00 36.38 34.56 3kyn s VAL 247 CO 0.08 0.06 0.77 -0.69 -3.33 0.00 0.00 175.10 171.99 3kyn s VAL 248 N 0.86 4.70 0.26 2.04 1.01 -1.26 0.12 120.40 128.13 3kyn s VAL 248 Ca -0.07 0.63 0.09 0.00 0.00 0.00 0.00 61.98 62.64 3kyn s VAL 248 Cb -0.09 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 3kyn s VAL 248 CO -0.04 -0.57 0.03 0.68 0.00 0.00 0.00 175.10 175.20 3kyn s VAL 249 N 3.17 3.63 0.57 2.92 -7.23 0.16 -4.93 120.40 118.69 3kyn s VAL 249 Ca 0.30 -1.81 -0.19 0.00 -1.81 0.00 0.00 61.98 58.47 3kyn s VAL 249 Cb -0.13 -2.94 -0.05 0.00 0.56 0.00 0.00 36.38 33.82 3kyn s VAL 249 CO 0.20 -0.36 1.19 -2.84 -0.31 0.00 0.00 175.10 172.97 3kyn s PRO 250 N -3.68 3.16 0.35 4.82 0.02 -1.26 -0.86 135.00 137.55 3kyn s PRO 250 Ca 0.31 1.77 -0.27 0.00 0.02 0.00 0.00 61.00 62.84 3kyn s PRO 250 Cb -0.07 -2.00 -0.09 0.00 0.02 0.00 0.00 34.50 32.36 3kyn s PRO 250 CO 0.21 -1.04 1.15 0.45 -0.33 0.00 0.00 177.00 177.43 3kyn s SER 251 N -1.61 6.83 0.00 2.53 0.15 0.93 -2.59 113.70 119.94 3kyn s SER 251 Ca 0.75 2.33 0.00 0.00 0.70 0.00 0.00 55.95 59.73 3kyn s SER 251 Cb -0.29 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.41 3kyn s SER 251 CO 0.32 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.91 3kyn n GLY 252 N 0.80 0.75 0.23 9.45 0.00 -1.26 -4.91 105.19 110.25 3kyn n GLY 252 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 3kyn n GLY 252 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kyn n GLU 253 N -2.38 2.31 -0.05 1.61 4.07 -1.07 -4.79 120.64 120.35 3kyn n GLU 253 Ca 0.00 -1.53 -0.09 0.00 -0.06 0.00 0.00 57.16 55.48 3kyn n GLU 253 Cb 0.00 -1.10 0.06 0.00 -0.06 0.00 0.00 31.44 30.34 3kyn n GLU 253 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3kyn h GLU 254 N 0.78 0.69 0.00 5.31 3.07 -1.91 -2.69 114.58 119.83 3kyn h GLU 254 Ca 0.00 -0.36 0.00 0.00 -0.50 0.00 0.00 59.36 58.50 3kyn h GLU 254 Cb 0.51 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 3kyn h GLU 254 CO 0.00 0.97 0.00 1.04 -1.40 0.00 0.00 179.01 179.62 3kyn n GLN 255 N -4.03 0.89 0.00 2.33 1.13 -1.26 -2.08 117.38 114.36 3kyn n GLN 255 Ca -0.02 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.17 3kyn n GLN 255 Cb 0.53 -1.37 0.35 0.00 0.11 0.00 0.00 30.24 29.86 3kyn n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3kyn n ARG 256 N -0.87 0.58 -4.31 -1.09 1.74 -1.01 -4.92 116.66 106.78 3kyn n ARG 256 Ca 0.16 -0.34 -0.32 0.00 -0.77 0.00 0.00 57.85 56.58 3kyn n ARG 256 Cb 0.07 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 29.93 3kyn n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3kyn s TYR 257 N -2.65 2.97 -0.01 -1.55 2.02 -0.88 -0.96 117.35 116.29 3kyn s TYR 257 Ca 0.21 -0.00 -0.01 0.00 -0.37 0.00 0.00 57.07 56.89 3kyn s TYR 257 Cb 0.19 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 40.15 3kyn s TYR 257 CO 0.57 0.43 0.04 0.95 -1.57 0.00 0.00 175.55 175.97 3kyn s THR 258 N -1.10 -0.00 -0.22 -0.71 -4.23 0.13 -4.63 115.64 104.88 3kyn s THR 258 Ca 0.20 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.61 3kyn s THR 258 Cb -0.11 -0.06 -0.05 0.00 1.34 0.00 0.00 72.50 73.61 3kyn s THR 258 CO 0.11 0.00 0.15 0.00 -0.54 0.00 0.00 174.62 174.34 3kyn s HIS 260 N 0.78 3.46 -0.12 0.00 3.76 0.22 -0.41 115.29 122.98 3kyn s HIS 260 Ca 0.08 0.51 0.01 0.00 -0.15 0.00 0.00 55.06 55.51 3kyn s HIS 260 Cb -0.13 -2.25 0.02 0.00 1.11 0.00 0.00 32.58 31.33 3kyn s HIS 260 CO 0.02 0.30 -0.15 0.08 -0.85 0.00 0.00 174.74 174.14 3kyn s VAL 261 N 0.27 1.53 -0.08 -0.90 1.01 -0.12 -1.30 120.40 120.82 3kyn s VAL 261 Ca 0.14 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.51 3kyn s VAL 261 Cb -0.12 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 3kyn s VAL 261 CO 0.02 0.45 -0.24 -1.10 0.00 0.00 0.00 175.10 174.22 3kyn s GLN 262 N 1.06 2.78 -0.22 2.72 -0.21 -0.48 -1.08 119.66 124.25 3kyn s GLN 262 Ca -0.05 -0.89 -0.27 0.00 0.02 0.00 0.00 55.36 54.17 3kyn s GLN 262 Cb -0.15 -2.22 0.10 0.00 1.00 0.00 0.00 33.01 31.75 3kyn s GLN 262 CO -0.03 0.28 0.90 -1.58 -2.12 0.00 0.00 175.29 172.74 3kyn s HIS 263 N 0.09 -0.55 0.30 0.91 2.46 -1.26 -1.61 115.29 115.63 3kyn s HIS 263 Ca -0.11 1.20 0.05 0.00 0.47 0.00 0.00 55.06 56.67 3kyn s HIS 263 Cb -0.16 0.37 0.71 0.00 -0.13 0.00 0.00 32.58 33.37 3kyn s HIS 263 CO 0.06 -0.35 1.79 0.93 -2.47 0.00 0.00 174.74 174.71 3kyn h GLU 264 N 3.81 0.78 0.00 2.88 5.08 -1.93 0.92 114.58 126.12 3kyn h GLU 264 Ca -0.26 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3kyn h GLU 264 Cb 1.16 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3kyn h GLU 264 CO 0.19 0.52 0.00 0.41 -1.00 0.00 0.00 179.01 179.12 3kyn n GLY 265 N -1.34 -0.72 3.84 -3.84 0.00 -1.24 -4.79 105.19 97.10 3kyn n GLY 265 Ca 0.22 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3kyn n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kyn s LEU 266 N -2.53 4.01 0.09 0.99 1.43 0.31 -4.41 118.68 118.56 3kyn s LEU 266 Ca 0.14 1.38 -0.23 0.00 -1.03 0.00 0.00 54.13 54.39 3kyn s LEU 266 Cb 0.09 -4.20 -0.08 0.00 0.03 0.00 0.00 46.19 42.03 3kyn s LEU 266 CO 0.21 -0.26 1.38 -0.65 0.23 0.00 0.00 176.35 177.25 3kyn h PRO 267 N 2.08 -0.27 -5.18 1.29 0.11 -1.86 -3.45 132.00 124.72 3kyn h PRO 267 Ca -0.48 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kyn h PRO 267 Cb 1.18 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kyn h PRO 267 CO 0.64 -0.18 -0.56 0.39 -0.21 0.00 0.00 178.00 178.08 3kyn n GLU 268 N -4.54 -2.48 -1.16 1.05 1.02 -1.26 -5.20 120.64 108.07 3kyn n GLU 268 Ca -0.03 2.18 -0.37 0.00 -0.02 0.00 0.00 57.16 58.92 3kyn n GLU 268 Cb 0.24 -5.50 0.04 0.00 -0.02 0.00 0.00 31.44 26.20 3kyn n GLU 268 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3kyn n PRO 269 N -0.15 0.09 -4.03 3.49 -0.04 -1.26 -4.95 135.00 128.15 3kyn n PRO 269 Ca 0.10 0.05 -0.36 0.00 -0.04 0.00 0.00 63.50 63.25 3kyn n PRO 269 Cb 0.37 -1.33 -0.07 0.00 -0.04 0.00 0.00 33.50 32.43 3kyn n PRO 269 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3kyn s LEU 270 N 3.70 4.13 -0.11 1.53 2.96 -0.24 -4.95 118.68 125.71 3kyn s LEU 270 Ca 0.55 0.34 0.02 0.00 -0.22 0.00 0.00 54.13 54.82 3kyn s LEU 270 Cb -0.34 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.29 3kyn s LEU 270 CO 0.68 0.38 -0.15 -0.32 -1.32 0.00 0.00 176.35 175.61 3kyn s MET 271 N -1.14 2.21 0.19 1.98 -2.45 -1.26 -0.94 119.30 117.89 3kyn s MET 271 Ca 0.16 -0.56 0.10 0.00 -1.25 0.00 0.00 55.69 54.15 3kyn s MET 271 Cb -0.12 -1.88 -0.04 0.00 1.25 0.00 0.00 34.83 34.04 3kyn s MET 271 CO 0.06 -0.06 -0.21 -0.51 1.05 0.00 0.00 175.02 175.35 3kyn s LEU 272 N 0.97 2.45 -0.08 4.11 1.43 0.45 -4.94 118.68 123.07 3kyn s LEU 272 Ca -0.07 -0.88 -0.17 0.00 -1.03 0.00 0.00 54.13 51.99 3kyn s LEU 272 Cb -0.15 -1.03 0.04 0.00 0.03 0.00 0.00 46.19 45.08 3kyn s LEU 272 CO -0.01 0.05 0.41 -0.60 0.23 0.00 0.00 176.35 176.43 3kyn s ARG 273 N -2.77 0.64 -0.31 1.70 3.52 -1.26 -0.59 118.95 119.88 3kyn s ARG 273 Ca 0.19 0.21 -0.29 0.00 -0.13 0.00 0.00 55.73 55.71 3kyn s ARG 273 Cb -0.07 0.30 0.01 0.00 -1.56 0.00 0.00 34.95 33.63 3kyn s ARG 273 CO 0.09 -0.15 1.18 -0.46 -0.81 0.00 0.00 175.30 175.15 3kyn s TRP 274 N -0.64 2.93 0.00 5.12 -0.00 -1.26 -4.88 118.94 120.21 3kyn s TRP 274 Ca -0.07 1.03 0.00 0.00 -0.00 0.00 0.00 56.10 57.05 3kyn s TRP 274 Cb -0.04 -3.81 0.00 0.00 -0.00 0.00 0.00 33.47 29.62 3kyn s TRP 274 CO 0.03 -1.22 0.00 1.17 -0.00 0.00 0.00 176.95 176.93