#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir n VAL 3 N 0.00 -1.60 -2.61 0.00 0.31 -1.26 -4.96 118.33 108.22 3kir n VAL 3 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 3kir n VAL 3 Cb 0.00 -2.04 -0.05 0.00 -0.91 0.00 0.00 33.84 30.85 3kir n VAL 3 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3kir s LYS 4 N -2.34 4.14 0.34 5.55 1.02 0.56 -4.84 119.74 124.17 3kir s LYS 4 Ca 0.00 1.40 0.09 0.00 0.02 0.00 0.00 55.97 57.48 3kir s LYS 4 Cb 0.00 -2.41 -0.07 0.00 -0.52 0.00 0.00 37.83 34.83 3kir s LYS 4 CO 0.00 -0.15 -0.09 0.21 -0.92 0.00 0.00 175.35 174.40 3kir s LYS 5 N -2.72 1.81 0.03 1.68 2.20 -1.26 -1.73 119.74 119.74 3kir s LYS 5 Ca 0.60 -1.94 0.05 0.00 -0.36 0.00 0.00 55.97 54.32 3kir s LYS 5 Cb -0.18 -1.67 -0.02 0.00 -1.51 0.00 0.00 37.83 34.45 3kir s LYS 5 CO 0.23 0.13 -0.15 -0.06 -0.36 0.00 0.00 175.35 175.14 3kir s PHE 6 N -2.64 1.27 0.49 4.03 0.40 -1.26 -5.00 117.98 115.28 3kir s PHE 6 Ca 0.32 -0.32 -0.22 0.00 -0.60 0.00 0.00 56.93 56.11 3kir s PHE 6 Cb 0.03 -0.77 -0.07 0.00 0.51 0.00 0.00 43.02 42.72 3kir s PHE 6 CO 0.16 0.03 1.20 0.15 0.70 0.00 0.00 175.22 177.46 3kir s LYS 7 N -0.94 3.58 -0.98 0.44 1.02 -1.26 -4.68 119.74 116.92 3kir s LYS 7 Ca 0.03 1.86 -0.10 0.00 0.02 0.00 0.00 55.97 57.78 3kir s LYS 7 Cb -0.07 -2.34 -0.07 0.00 -0.52 0.00 0.00 37.83 34.83 3kir s LYS 7 CO 0.01 -0.72 2.15 -0.35 -0.92 0.00 0.00 175.35 175.51 3kir n PRO 8 N -0.68 2.14 -0.10 -1.68 -0.04 -1.26 -4.59 135.00 128.79 3kir n PRO 8 Ca 0.08 -1.68 0.01 0.00 -0.04 0.00 0.00 63.50 61.88 3kir n PRO 8 Cb 0.48 -2.64 0.05 0.00 -0.04 0.00 0.00 33.50 31.35 3kir n PRO 8 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3kir n TYR 9 N 5.02 0.23 0.00 0.54 4.11 -1.26 -4.68 117.16 121.13 3kir n TYR 9 Ca 0.49 -0.09 0.00 0.00 -0.00 0.00 0.00 57.90 58.31 3kir n TYR 9 Cb 0.22 -0.11 0.00 0.00 -0.00 0.00 0.00 39.34 39.45 3kir n TYR 9 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 3kir n THR 10 N -0.01 0.00 -0.19 -3.48 5.66 -1.26 -5.09 114.28 109.92 3kir n THR 10 Ca 0.04 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.96 3kir n THR 10 Cb 0.29 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 69.13 3kir n THR 10 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3kir n PRO 11 N -0.01 -2.41 0.00 1.09 -0.04 -1.26 -2.26 135.00 130.12 3kir n PRO 11 Ca 0.00 -0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.11 3kir n PRO 11 Cb 0.00 -0.43 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 3kir n PRO 11 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3kir n SER 12 N -3.61 0.00 -1.38 3.54 3.41 -1.26 -4.05 113.62 110.27 3kir n SER 12 Ca 0.03 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.73 3kir n SER 12 Cb 0.14 -0.08 0.32 0.00 -0.26 0.00 0.00 64.21 64.33 3kir n SER 12 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3kir n ARG 13 N -0.17 3.72 0.01 4.33 0.63 -0.96 -3.02 116.66 121.21 3kir n ARG 13 Ca 0.00 -2.85 0.11 0.00 -0.92 0.00 0.00 57.85 54.19 3kir n ARG 13 Cb 0.00 -1.90 -0.11 0.00 0.45 0.00 0.00 32.46 30.90 3kir n ARG 13 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3kir n ARG 14 N 0.53 0.47 0.00 -0.14 0.63 -1.20 -4.30 116.66 112.65 3kir n ARG 14 Ca 0.24 -0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 3kir n ARG 14 Cb 0.91 -1.56 0.00 0.00 0.45 0.00 0.00 32.46 32.26 3kir n ARG 14 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3kir n PHE 15 N -2.11 0.00 -1.70 -0.14 0.99 -1.25 -4.84 117.46 108.41 3kir n PHE 15 Ca -0.01 0.00 -0.44 0.00 -0.00 0.00 0.00 57.45 57.00 3kir n PHE 15 Cb 0.50 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.95 3kir n PHE 15 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.76 176.64 3kir n MET 16 N -1.40 2.38 -4.15 -1.08 1.56 -1.17 -4.67 117.12 108.60 3kir n MET 16 Ca 0.00 0.85 -0.15 0.00 -0.27 0.00 0.00 57.70 58.13 3kir n MET 16 Cb 0.00 -2.60 -0.13 0.00 2.15 0.00 0.00 33.22 32.63 3kir n MET 16 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3kir s THR 17 N 0.38 0.51 0.34 1.12 -4.23 -0.78 -4.03 115.64 108.96 3kir s THR 17 Ca 0.71 -0.55 0.09 0.00 -1.18 0.00 0.00 61.69 60.76 3kir s THR 17 Cb -0.59 -0.48 -0.06 0.00 1.34 0.00 0.00 72.50 72.71 3kir s THR 17 CO 0.44 -0.04 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.71 3kir s VAL 18 N -0.57 2.32 0.71 2.29 1.01 -0.71 -3.89 120.40 121.57 3kir s VAL 18 Ca -0.02 -2.17 -0.13 0.00 0.00 0.00 0.00 61.98 59.67 3kir s VAL 18 Cb -0.05 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.69 3kir s VAL 18 CO 0.00 -0.20 1.10 0.00 0.00 0.00 0.00 175.10 175.99 3kir s ALA 19 N -2.59 2.40 -0.62 5.51 0.00 -1.26 -0.32 121.76 124.87 3kir s ALA 19 Ca 0.33 0.38 -0.21 0.00 0.00 0.00 0.00 51.96 52.46 3kir s ALA 19 Cb 0.02 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 19.94 3kir s ALA 19 CO 0.17 -1.47 0.85 0.34 0.00 0.00 0.00 175.76 175.65 3kir s ASP 20 N -3.04 6.18 -0.01 0.00 -1.08 -1.26 -4.40 116.67 113.06 3kir s ASP 20 Ca 0.64 -1.14 0.00 0.00 -0.52 0.00 0.00 52.55 51.53 3kir s ASP 20 Cb -0.18 -2.37 0.01 0.00 -1.46 0.00 0.00 42.92 38.92 3kir s ASP 20 CO 0.49 -1.29 0.73 0.49 0.52 0.00 0.00 175.17 176.11 3kir n PHE 21 N 7.11 0.05 -0.00 -5.34 0.99 -1.26 -3.94 117.46 115.07 3kir n PHE 21 Ca -0.06 -0.23 -0.15 0.00 -0.00 0.00 0.00 57.45 57.01 3kir n PHE 21 Cb 0.44 -0.17 -0.04 0.00 -1.00 0.00 0.00 39.48 38.71 3kir n PHE 21 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3kir h SER 22 N 0.05 0.82 -0.52 4.37 4.64 -2.01 -3.26 113.55 117.64 3kir h SER 22 Ca 0.01 -0.54 0.05 0.00 -0.47 0.00 0.00 61.79 60.84 3kir h SER 22 Cb 0.74 -0.24 -0.08 0.00 -0.31 0.00 0.00 62.40 62.51 3kir h SER 22 CO 0.01 1.32 -0.45 -0.33 -0.87 0.00 0.00 176.83 176.52 3kir h GLU 23 N 0.47 -0.17 0.00 4.77 4.39 -1.98 -3.17 114.58 118.90 3kir h GLU 23 Ca -0.05 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3kir h GLU 23 Cb 1.38 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 3kir h GLU 23 CO 0.15 -0.11 0.00 0.44 -1.16 0.00 0.00 179.01 178.33 3kir n ILE 24 N -4.77 0.00 -0.34 3.13 -0.00 -1.24 -4.82 119.36 111.31 3kir n ILE 24 Ca -0.01 1.19 0.00 0.00 -0.00 0.00 0.00 62.75 63.93 3kir n ILE 24 Cb 0.24 -2.09 0.00 0.00 -0.00 0.00 0.00 39.64 37.78 3kir n ILE 24 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 3kir n THR 25 N -1.20 0.00 -2.97 7.28 -1.04 -1.20 -4.29 114.28 110.86 3kir n THR 25 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 3kir n THR 25 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 3kir n THR 25 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3kir n LYS 26 N -1.41 -1.28 0.00 -2.82 4.01 -1.26 -4.53 118.16 110.87 3kir n LYS 26 Ca 0.00 1.04 0.00 0.00 -0.51 0.00 0.00 58.31 58.84 3kir n LYS 26 Cb 0.38 -1.44 0.00 0.00 -0.51 0.00 0.00 35.03 33.46 3kir n LYS 26 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 3kir n THR 27 N 0.12 0.00 -0.04 -0.18 5.66 -1.26 -4.42 114.28 114.16 3kir n THR 27 Ca -0.06 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.87 3kir n THR 27 Cb 0.53 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.28 3kir n THR 27 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3kir n GLU 28 N 0.89 0.15 -2.60 1.09 4.71 -1.26 -4.59 120.64 119.03 3kir n GLU 28 Ca 0.00 0.06 -0.42 0.00 -0.01 0.00 0.00 57.16 56.80 3kir n GLU 28 Cb 0.00 -0.80 -0.03 0.00 -1.01 0.00 0.00 31.44 29.59 3kir n GLU 28 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3kir s PRO 29 N -2.13 4.56 1.40 3.49 0.04 -1.26 -4.74 135.00 136.36 3kir s PRO 29 Ca -0.10 1.57 -0.23 0.00 0.04 0.00 0.00 61.00 62.28 3kir s PRO 29 Cb 0.04 -3.38 0.36 0.00 0.04 0.00 0.00 34.50 31.56 3kir s PRO 29 CO 0.13 -0.02 0.85 0.39 0.04 0.00 0.00 177.00 178.38 3kir n GLU 30 N 3.38 -4.68 -2.92 4.56 -0.58 -1.26 -4.89 120.64 114.25 3kir n GLU 30 Ca 0.05 -1.42 -0.44 0.00 -0.42 0.00 0.00 57.16 54.94 3kir n GLU 30 Cb 0.49 -1.80 -0.03 0.00 -0.57 0.00 0.00 31.44 29.52 3kir n GLU 30 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3kir s LYS 31 N -5.02 3.44 0.54 3.49 2.47 -1.26 -4.87 119.74 118.53 3kir s LYS 31 Ca 0.64 -1.51 0.02 0.00 -1.56 0.00 0.00 55.97 53.57 3kir s LYS 31 Cb -0.11 -4.70 0.13 0.00 -1.46 0.00 0.00 37.83 31.68 3kir s LYS 31 CO 0.54 -1.77 0.99 1.03 0.16 0.00 0.00 175.35 176.30 3kir h SER 32 N 9.03 0.00 0.00 1.43 0.87 -1.98 -3.10 113.55 119.80 3kir h SER 32 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3kir h SER 32 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 3kir h SER 32 CO 1.12 0.00 0.00 -0.11 -0.53 0.00 0.00 176.83 177.31 3kir n LEU 33 N -2.27 0.00 0.00 2.23 0.00 -1.26 -4.37 117.00 111.32 3kir n LEU 33 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3kir n LEU 33 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.28 3kir n LEU 33 CO 0.01 0.00 0.01 1.33 0.00 0.00 0.00 177.39 178.74 3kir n VAL 34 N 0.00 0.00 0.00 1.96 0.24 -1.18 -4.09 118.33 115.25 3kir n VAL 34 Ca 0.00 0.52 0.00 0.00 -2.04 0.00 0.00 64.34 62.82 3kir n VAL 34 Cb 0.00 -1.22 0.00 0.00 -1.47 0.00 0.00 33.84 31.15 3kir n VAL 34 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kir n LYS 35 N -0.04 0.00 -0.34 7.34 0.00 -1.18 -4.60 118.16 119.35 3kir n LYS 35 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 3kir n LYS 35 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 3kir n LYS 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3kir n PRO 36 N -0.27 0.00 -3.67 1.64 -0.04 -1.25 -3.87 135.00 127.53 3kir n PRO 36 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 3kir n PRO 36 Cb 0.00 -0.25 -0.18 0.00 -0.04 0.00 0.00 33.50 33.03 3kir n PRO 36 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kir s LEU 37 N 0.48 0.33 -0.00 1.53 2.01 -1.20 -5.02 118.68 116.81 3kir s LEU 37 Ca 0.30 -0.20 -0.34 0.00 0.01 0.00 0.00 54.13 53.90 3kir s LEU 37 Cb -0.21 -0.24 -0.13 0.00 0.01 0.00 0.00 46.19 45.61 3kir s LEU 37 CO 0.13 -0.27 1.74 1.17 1.01 0.00 0.00 176.35 180.13 3kir n LYS 38 N 5.25 2.08 -4.07 1.70 4.81 -1.26 -2.18 118.16 124.49 3kir n LYS 38 Ca -0.05 0.76 -0.36 0.00 -0.87 0.00 0.00 58.31 57.79 3kir n LYS 38 Cb 0.50 -2.56 -0.08 0.00 0.02 0.00 0.00 35.03 32.90 3kir n LYS 38 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3kir s LYS 39 N 2.78 3.44 -0.02 1.64 2.20 -1.26 -4.88 119.74 123.63 3kir s LYS 39 Ca 0.88 -0.27 -0.23 0.00 -0.36 0.00 0.00 55.97 55.98 3kir s LYS 39 Cb -0.72 -3.07 -0.05 0.00 -1.51 0.00 0.00 37.83 32.49 3kir s LYS 39 CO 0.47 0.62 0.69 0.99 -0.36 0.00 0.00 175.35 177.76 3kir s THR 40 N -0.61 4.93 0.00 3.43 2.01 -1.26 -4.99 115.64 119.14 3kir s THR 40 Ca 0.11 1.44 0.00 0.00 0.31 0.00 0.00 61.69 63.56 3kir s THR 40 Cb -0.12 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.36 3kir s THR 40 CO 0.02 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.89 3kir n GLY 41 N 2.74 0.81 1.51 4.40 0.00 -1.26 -5.07 105.19 108.33 3kir n GLY 41 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3kir n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kir n GLY 42 N 5.00 -4.67 0.27 -0.02 0.00 -1.26 -4.83 105.19 99.67 3kir n GLY 42 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3kir n GLY 42 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kir n ARG 43 N 1.12 1.03 -3.84 1.61 -4.01 -1.26 -4.91 116.66 106.41 3kir n ARG 43 Ca 0.00 -0.03 -0.09 0.00 -1.04 0.00 0.00 57.85 56.69 3kir n ARG 43 Cb 0.00 -1.26 -0.04 0.00 -3.04 0.00 0.00 32.46 28.12 3kir n ARG 43 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 3kir s ASN 44 N -0.50 -0.21 0.00 2.89 4.22 -1.26 -3.83 114.94 116.25 3kir s ASN 44 Ca 0.01 -0.64 0.00 0.00 -2.14 0.00 0.00 52.86 50.09 3kir s ASN 44 Cb 0.00 0.61 0.00 0.00 1.28 0.00 0.00 41.25 43.14 3kir s ASN 44 CO 0.00 -1.13 0.00 -0.46 -2.04 0.00 0.00 177.10 173.47 3kir n ASN 45 N -0.37 0.00 -4.58 3.54 0.23 -1.21 -4.85 115.26 108.02 3kir n ASN 45 Ca -0.06 0.00 -0.34 0.00 -0.53 0.00 0.00 54.58 53.65 3kir n ASN 45 Cb 0.62 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.28 3kir n ASN 45 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 3kir s GLN 46 N 0.39 3.06 0.00 -3.83 1.11 -1.26 -4.60 119.66 114.52 3kir s GLN 46 Ca 0.00 -1.33 0.00 0.00 0.01 0.00 0.00 55.36 54.04 3kir s GLN 46 Cb 0.00 -5.33 0.00 0.00 -1.01 0.00 0.00 33.01 26.67 3kir s GLN 46 CO 0.00 -3.24 0.00 0.41 0.01 0.00 0.00 175.29 172.47 3kir n GLY 47 N 5.88 1.07 3.39 3.09 0.00 -1.26 -5.04 105.19 112.32 3kir n GLY 47 Ca 0.45 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 3kir n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kir n ARG 48 N 0.00 0.34 -2.89 1.61 5.12 -1.26 -4.89 116.66 114.69 3kir n ARG 48 Ca 0.00 0.13 -0.40 0.00 -1.93 0.00 0.00 57.85 55.65 3kir n ARG 48 Cb 0.00 -1.45 -0.05 0.00 -1.16 0.00 0.00 32.46 29.80 3kir n ARG 48 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 3kir s ILE 49 N -1.80 4.64 0.00 0.55 2.07 -1.26 -3.29 121.20 122.11 3kir s ILE 49 Ca 0.65 1.79 0.00 0.00 -1.41 0.00 0.00 60.65 61.68 3kir s ILE 49 Cb -0.47 -4.19 0.00 0.00 0.13 0.00 0.00 42.46 37.93 3kir s ILE 49 CO 0.58 0.35 0.97 0.35 -1.91 0.00 0.00 174.94 175.29 3kir n THR 50 N 2.78 0.95 -3.33 4.00 -2.24 -1.25 -4.87 114.28 110.32 3kir n THR 50 Ca -0.01 -0.97 -0.10 0.00 -2.27 0.00 0.00 64.05 60.71 3kir n THR 50 Cb 0.50 0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 69.18 3kir n THR 50 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kir s VAL 51 N -0.95 -0.60 0.78 2.28 1.01 -1.25 -5.08 120.40 116.58 3kir s VAL 51 Ca 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.59 3kir s VAL 51 Cb 0.00 -0.94 0.06 0.00 0.00 0.00 0.00 36.38 35.51 3kir s VAL 51 CO 0.00 -0.25 1.16 0.54 0.00 0.00 0.00 175.10 176.55 3kir n ARG 52 N 5.35 0.32 -3.28 2.72 1.74 -1.26 -4.02 116.66 118.23 3kir n ARG 52 Ca -0.01 0.18 -0.23 0.00 -0.77 0.00 0.00 57.85 57.02 3kir n ARG 52 Cb 0.49 -2.40 0.06 0.00 -1.02 0.00 0.00 32.46 29.59 3kir n ARG 52 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3kir n PHE 53 N -3.05 -2.39 -4.34 -1.55 3.72 -1.26 -4.97 117.46 103.63 3kir n PHE 53 Ca 0.14 0.75 -0.24 0.00 -0.05 0.00 0.00 57.45 58.05 3kir n PHE 53 Cb 0.50 -4.76 -0.08 0.00 -0.94 0.00 0.00 39.48 34.20 3kir n PHE 53 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3kir s ARG 54 N -5.98 2.08 0.00 -1.08 1.81 -1.26 -0.79 118.95 113.74 3kir s ARG 54 Ca 0.43 -1.48 0.00 0.00 -1.72 0.00 0.00 55.73 52.97 3kir s ARG 54 Cb -0.19 -2.06 0.00 0.00 -0.45 0.00 0.00 34.95 32.25 3kir s ARG 54 CO 0.54 0.37 0.00 0.41 -0.68 0.00 0.00 175.30 175.94 3kir n GLY 55 N -0.62 3.73 6.46 -3.53 0.00 -1.03 -4.76 105.19 105.45 3kir n GLY 55 Ca -0.07 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.20 3kir n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kir n GLY 56 N -1.39 -1.84 0.05 -0.02 0.00 -1.26 -4.27 105.19 96.46 3kir n GLY 56 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3kir n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kir n GLY 57 N -0.15 0.03 1.19 -0.02 0.00 -1.21 -4.20 105.19 100.84 3kir n GLY 57 Ca 0.00 -1.20 -0.16 0.00 0.00 0.00 0.00 46.02 44.66 3kir n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kir n HIS 58 N 1.95 -0.46 -1.12 1.61 -0.00 -1.07 -4.82 115.22 111.30 3kir n HIS 58 Ca 0.00 0.28 -0.34 0.00 -0.00 0.00 0.00 57.72 57.66 3kir n HIS 58 Cb 0.00 -0.66 0.11 0.00 -0.00 0.00 0.00 29.99 29.44 3kir n HIS 58 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 3kir n LYS 59 N 0.42 0.18 -3.69 1.57 3.00 -1.26 -5.00 118.16 113.37 3kir n LYS 59 Ca 0.05 0.12 -0.11 0.00 -0.00 0.00 0.00 58.31 58.38 3kir n LYS 59 Cb 0.12 -2.20 -0.11 0.00 0.00 0.00 0.00 35.03 32.83 3kir n LYS 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 3kir s ARG 60 N -3.67 0.35 0.02 1.64 3.52 -1.26 -5.14 118.95 114.42 3kir s ARG 60 Ca 0.69 0.79 -0.05 0.00 -0.13 0.00 0.00 55.73 57.03 3kir s ARG 60 Cb -0.30 0.00 -0.05 0.00 -1.56 0.00 0.00 34.95 33.05 3kir s ARG 60 CO 0.55 -0.17 0.26 -1.17 -0.81 0.00 0.00 175.30 173.95 3kir s LEU 61 N 1.55 4.36 -0.28 -0.88 2.96 -1.26 -4.39 118.68 120.74 3kir s LEU 61 Ca -0.08 0.49 -0.12 0.00 -0.22 0.00 0.00 54.13 54.20 3kir s LEU 61 Cb -0.09 -2.76 -0.05 0.00 0.50 0.00 0.00 46.19 43.79 3kir s LEU 61 CO -0.12 0.22 0.23 -0.47 -1.32 0.00 0.00 176.35 174.89 3kir s TYR 62 N -1.36 3.22 -0.09 5.38 6.14 -0.93 -4.81 117.35 124.90 3kir s TYR 62 Ca 0.30 0.15 -0.28 0.00 0.64 0.00 0.00 57.07 57.88 3kir s TYR 62 Cb -0.13 -2.42 -0.02 0.00 0.42 0.00 0.00 41.96 39.81 3kir s TYR 62 CO 0.19 -0.19 0.92 1.03 0.64 0.00 0.00 175.55 178.14 3kir s ARG 63 N 1.82 4.43 -0.54 4.97 3.00 -1.26 -3.22 118.95 128.15 3kir s ARG 63 Ca 0.08 1.25 -0.22 0.00 0.00 0.00 0.00 55.73 56.84 3kir s ARG 63 Cb -0.16 -3.51 0.05 0.00 0.00 0.00 0.00 34.95 31.33 3kir s ARG 63 CO 0.11 -0.19 0.80 -1.50 0.00 0.00 0.00 175.30 174.51 3kir s ILE 64 N 1.61 4.60 0.33 1.52 2.07 -1.25 -4.96 121.20 125.12 3kir s ILE 64 Ca 0.46 -0.13 0.02 0.00 -1.41 0.00 0.00 60.65 59.58 3kir s ILE 64 Cb -0.19 -4.45 -0.03 0.00 0.13 0.00 0.00 42.46 37.93 3kir s ILE 64 CO 0.19 -1.01 0.52 0.27 -1.91 0.00 0.00 174.94 173.00 3kir s ILE 65 N 3.36 4.96 -0.70 2.00 -0.00 -1.26 -4.37 121.20 125.19 3kir s ILE 65 Ca 0.23 -0.61 -0.19 0.00 -0.00 0.00 0.00 60.65 60.07 3kir s ILE 65 Cb -0.16 -3.80 0.11 0.00 -0.00 0.00 0.00 42.46 38.61 3kir s ILE 65 CO 0.15 -0.47 0.87 -0.62 -0.00 0.00 0.00 174.94 174.88 3kir s ASP 66 N -4.05 6.32 0.00 4.36 2.15 0.35 -4.91 116.67 120.89 3kir s ASP 66 Ca 0.40 -1.54 0.16 0.00 0.43 0.00 0.00 52.55 52.00 3kir s ASP 66 Cb -0.09 -2.35 0.54 0.00 -0.30 0.00 0.00 42.92 40.72 3kir s ASP 66 CO 0.34 -1.15 1.41 0.49 -0.17 0.00 0.00 175.17 176.09 3kir n PHE 67 N 6.58 0.36 -3.57 -5.34 0.99 -1.26 -4.58 117.46 110.64 3kir n PHE 67 Ca 0.01 -0.18 -0.27 0.00 -0.00 0.00 0.00 57.45 57.01 3kir n PHE 67 Cb 0.45 0.00 -0.16 0.00 -1.00 0.00 0.00 39.48 38.77 3kir n PHE 67 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.76 175.17 3kir s LYS 68 N -1.64 0.13 0.07 -1.08 -2.85 -1.26 0.50 119.74 113.61 3kir s LYS 68 Ca 0.29 -0.30 0.25 0.00 -1.00 0.00 0.00 55.97 55.22 3kir s LYS 68 Cb 0.16 -1.47 0.57 0.00 -2.06 0.00 0.00 37.83 35.02 3kir s LYS 68 CO 0.22 -0.85 1.48 0.54 0.10 0.00 0.00 175.35 176.85 3kir n ARG 69 N 5.27 0.15 0.00 1.78 1.74 -1.26 -3.85 116.66 120.48 3kir n ARG 69 Ca -0.06 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kir n ARG 69 Cb 0.46 -1.61 0.02 0.00 -1.02 0.00 0.00 32.46 30.31 3kir n ARG 69 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 3kir n TRP 70 N -1.83 0.00 0.13 -1.55 2.14 -1.26 -2.38 117.44 112.69 3kir n TRP 70 Ca 0.05 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.49 3kir n TRP 70 Cb 0.39 -0.11 -0.06 0.00 -0.81 0.00 0.00 31.31 30.72 3kir n TRP 70 CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 3kir h ASP 71 N 0.00 -0.65 -2.35 -0.67 3.32 -1.97 -3.30 116.42 110.80 3kir h ASP 71 Ca 0.00 0.07 -0.68 0.00 0.02 0.00 0.00 57.03 56.44 3kir h ASP 71 Cb 0.00 0.24 -0.36 0.00 0.22 0.00 0.00 39.33 39.43 3kir h ASP 71 CO 0.00 -0.33 0.03 0.29 -1.72 0.00 0.00 179.24 177.50 3kir n LYS 72 N -5.36 3.88 -1.75 3.56 5.02 -1.00 -5.06 118.16 117.45 3kir n LYS 72 Ca -0.07 -4.73 -0.42 0.00 -2.02 0.00 0.00 58.31 51.07 3kir n LYS 72 Cb 0.27 -2.34 -0.02 0.00 -0.02 0.00 0.00 35.03 32.92 3kir n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3kir n VAL 73 N 0.24 1.01 0.00 -0.18 0.31 -1.24 -2.30 118.33 116.17 3kir n VAL 73 Ca 0.34 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3kir n VAL 73 Cb 0.35 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 3kir n VAL 73 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kir n GLY 74 N 2.19 2.30 3.64 2.92 0.00 -0.65 -4.95 105.19 110.64 3kir n GLY 74 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3kir n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kir s ILE 75 N 0.00 4.09 0.70 -0.61 1.01 -0.97 -4.90 121.20 120.52 3kir s ILE 75 Ca 0.00 1.27 -0.06 0.00 0.00 0.00 0.00 60.65 61.86 3kir s ILE 75 Cb 0.00 -3.99 0.06 0.00 0.01 0.00 0.00 42.46 38.54 3kir s ILE 75 CO 0.00 -0.30 1.01 -2.16 0.00 0.00 0.00 174.94 173.49 3kir s PRO 76 N 4.00 2.17 -0.02 2.79 0.04 -1.26 -4.49 135.00 138.22 3kir s PRO 76 Ca 0.59 -0.31 -0.19 0.00 0.04 0.00 0.00 61.00 61.13 3kir s PRO 76 Cb -0.21 -2.18 0.04 0.00 0.04 0.00 0.00 34.50 32.19 3kir s PRO 76 CO 0.21 -1.24 0.41 0.00 0.04 0.00 0.00 177.00 176.42 3kir s ALA 77 N -3.23 -1.05 -0.16 8.56 0.00 0.50 -2.19 121.76 124.20 3kir s ALA 77 Ca 0.60 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 53.01 3kir s ALA 77 Cb -0.10 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 3kir s ALA 77 CO 0.45 -0.30 0.24 0.21 0.00 0.00 0.00 175.76 176.35 3kir s LYS 78 N -1.39 4.12 -0.78 0.00 2.20 0.80 -0.77 119.74 123.92 3kir s LYS 78 Ca -0.12 0.00 -0.25 0.00 -0.36 0.00 0.00 55.97 55.24 3kir s LYS 78 Cb -0.04 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 3kir s LYS 78 CO 0.05 0.35 1.91 0.08 -0.36 0.00 0.00 175.35 177.38 3kir s VAL 79 N 0.16 3.41 0.17 4.02 1.01 0.54 -1.23 120.40 128.48 3kir s VAL 79 Ca 0.14 -0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.87 3kir s VAL 79 Cb -0.13 -3.99 0.07 0.00 0.00 0.00 0.00 36.38 32.34 3kir s VAL 79 CO 0.03 -0.94 1.77 0.00 0.00 0.00 0.00 175.10 175.96 3kir h ALA 80 N 12.83 0.74 -1.98 5.51 0.00 -1.64 0.19 119.26 134.91 3kir h ALA 80 Ca -0.05 -0.11 0.19 0.00 0.00 0.00 0.00 54.91 54.94 3kir h ALA 80 Cb 1.07 -0.23 -0.14 0.00 0.00 0.00 0.00 17.79 18.49 3kir h ALA 80 CO 1.21 0.28 0.62 0.00 0.00 0.00 0.00 179.25 181.36 3kir s ALA 81 N -5.79 -1.91 -0.21 0.00 0.00 -0.61 -4.71 121.76 108.54 3kir s ALA 81 Ca -0.13 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.74 3kir s ALA 81 Cb 0.13 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.60 3kir s ALA 81 CO 0.77 -0.80 -0.15 0.42 0.00 0.00 0.00 175.76 176.00 3kir s ILE 82 N -2.89 2.33 0.31 0.00 1.01 -1.26 0.10 121.20 120.81 3kir s ILE 82 Ca 0.09 -1.03 0.07 0.00 0.00 0.00 0.00 60.65 59.78 3kir s ILE 82 Cb -0.00 -2.09 -0.06 0.00 0.01 0.00 0.00 42.46 40.32 3kir s ILE 82 CO -0.05 0.38 -0.05 -1.83 0.00 0.00 0.00 174.94 173.39 3kir s GLU 83 N 1.28 1.66 0.46 2.79 -1.05 0.54 -4.11 118.70 120.27 3kir s GLU 83 Ca 0.02 -1.86 -0.22 0.00 -0.15 0.00 0.00 54.97 52.75 3kir s GLU 83 Cb -0.15 -1.28 -0.08 0.00 -0.44 0.00 0.00 34.13 32.18 3kir s GLU 83 CO -0.09 0.02 1.11 -0.47 0.95 0.00 0.00 175.26 176.78 3kir s TYR 84 N -2.93 2.95 -0.14 4.83 5.04 -1.26 -2.08 117.35 123.75 3kir s TYR 84 Ca 0.31 1.57 -0.04 0.00 -2.44 0.00 0.00 57.07 56.47 3kir s TYR 84 Cb 0.05 -3.25 0.07 0.00 0.35 0.00 0.00 41.96 39.17 3kir s TYR 84 CO 0.14 -1.20 0.20 0.34 -1.34 0.00 0.00 175.55 173.69 3kir s ASP 85 N -1.58 0.98 0.00 4.32 2.15 -1.26 -4.85 116.67 116.43 3kir s ASP 85 Ca 0.64 0.13 0.16 0.00 0.43 0.00 0.00 52.55 53.91 3kir s ASP 85 Cb -0.24 0.39 0.78 0.00 -0.30 0.00 0.00 42.92 43.54 3kir s ASP 85 CO 0.29 -0.28 1.47 -0.81 -0.17 0.00 0.00 175.17 175.67 3kir n PRO 86 N 5.33 0.18 -0.35 4.34 -0.04 -1.26 -3.48 135.00 139.72 3kir n PRO 86 Ca -0.05 0.15 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 3kir n PRO 86 Cb 0.50 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.76 3kir n PRO 86 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kir n ASN 87 N -1.33 3.86 -3.51 3.54 3.02 -1.26 -4.98 115.26 114.60 3kir n ASN 87 Ca 0.07 -2.00 -0.12 0.00 -0.03 0.00 0.00 54.58 52.50 3kir n ASN 87 Cb 0.14 -0.46 -0.04 0.00 -0.61 0.00 0.00 39.78 38.81 3kir n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kir s ARG 88 N -1.04 0.90 0.21 3.52 1.70 -1.23 -5.04 118.95 117.97 3kir s ARG 88 Ca 0.47 -0.07 -0.10 0.00 -0.47 0.00 0.00 55.73 55.56 3kir s ARG 88 Cb 0.25 0.42 0.16 0.00 -0.57 0.00 0.00 34.95 35.21 3kir s ARG 88 CO 0.32 -0.34 1.88 0.66 -1.08 0.00 0.00 175.30 176.74 3kir h SER 89 N 2.40 0.90 -4.31 -2.89 4.64 -1.89 -3.44 113.55 108.96 3kir h SER 89 Ca -0.24 -0.04 -0.50 0.00 -0.47 0.00 0.00 61.79 60.54 3kir h SER 89 Cb 1.21 -0.23 0.10 0.00 -0.31 0.00 0.00 62.40 63.18 3kir h SER 89 CO 0.34 0.67 0.35 0.00 -0.87 0.00 0.00 176.83 177.32 3kir s ALA 90 N -6.09 2.43 0.31 5.18 0.00 -1.26 -4.56 121.76 117.78 3kir s ALA 90 Ca -0.13 -0.08 0.06 0.00 0.00 0.00 0.00 51.96 51.81 3kir s ALA 90 Cb 0.15 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 3kir s ALA 90 CO 0.79 -1.51 0.41 1.03 0.00 0.00 0.00 175.76 176.48 3kir s ARG 91 N -5.11 3.14 0.14 0.00 0.52 -1.26 -4.71 118.95 111.66 3kir s ARG 91 Ca 0.60 -0.99 0.09 0.00 -0.52 0.00 0.00 55.73 54.90 3kir s ARG 91 Cb -0.14 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.50 3kir s ARG 91 CO 0.55 0.16 -0.14 0.96 0.02 0.00 0.00 175.30 176.85 3kir s ILE 92 N -2.14 3.06 -0.20 1.52 -4.36 -0.88 -1.27 121.20 116.93 3kir s ILE 92 Ca 0.42 -1.51 -0.02 0.00 -0.26 0.00 0.00 60.65 59.28 3kir s ILE 92 Cb -0.09 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.17 3kir s ILE 92 CO 0.30 0.03 -0.11 0.00 0.24 0.00 0.00 174.94 175.40 3kir s ALA 93 N -1.35 2.60 -0.16 2.27 0.00 0.55 -0.34 121.76 125.34 3kir s ALA 93 Ca 0.21 -1.18 -0.25 0.00 0.00 0.00 0.00 51.96 50.75 3kir s ALA 93 Cb -0.10 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 3kir s ALA 93 CO 0.13 -0.37 0.79 -1.17 0.00 0.00 0.00 175.76 175.14 3kir s LEU 94 N 1.35 4.19 -0.02 0.00 1.98 0.29 -1.58 118.68 124.89 3kir s LEU 94 Ca 0.05 1.13 0.05 0.00 -2.89 0.00 0.00 54.13 52.47 3kir s LEU 94 Cb -0.14 -3.18 -0.01 0.00 0.66 0.00 0.00 46.19 43.53 3kir s LEU 94 CO -0.07 -0.35 -0.16 -1.48 -1.89 0.00 0.00 176.35 172.40 3kir s LEU 95 N 1.97 1.98 -0.25 -0.68 0.05 -0.73 -1.57 118.68 119.46 3kir s LEU 95 Ca 0.37 -0.30 -0.14 0.00 0.05 0.00 0.00 54.13 54.11 3kir s LEU 95 Cb -0.17 -0.86 -0.04 0.00 -2.05 0.00 0.00 46.19 43.08 3kir s LEU 95 CO 0.13 0.18 0.31 -1.00 -0.55 0.00 0.00 176.35 175.41 3kir s HIS 96 N -0.23 3.29 0.53 3.48 3.76 -0.36 -2.30 115.29 123.46 3kir s HIS 96 Ca 0.03 0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 55.22 3kir s HIS 96 Cb -0.08 -2.47 -0.05 0.00 1.11 0.00 0.00 32.58 31.10 3kir s HIS 96 CO 0.00 -0.09 0.92 0.71 -0.85 0.00 0.00 174.74 175.43 3kir s TYR 97 N 1.59 3.55 0.36 1.40 1.51 0.78 -0.14 117.35 126.40 3kir s TYR 97 Ca 0.13 1.16 0.18 0.00 -1.01 0.00 0.00 57.07 57.54 3kir s TYR 97 Cb -0.15 -2.58 0.97 0.00 -0.11 0.00 0.00 41.96 40.09 3kir s TYR 97 CO 0.08 -0.43 1.91 0.28 -1.11 0.00 0.00 175.55 176.29 3kir h VAL 98 N 0.30 0.98 -1.02 0.71 2.07 -1.74 -0.39 116.25 117.16 3kir h VAL 98 Ca -0.46 -0.99 0.30 0.00 0.82 0.00 0.00 66.70 66.36 3kir h VAL 98 Cb 1.19 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.49 3kir h VAL 98 CO 0.62 0.26 0.75 -0.78 0.02 0.00 0.00 177.57 178.45 3kir h ASP 99 N 0.00 0.00 0.00 0.57 -0.00 -1.92 -3.44 116.42 111.63 3kir h ASP 99 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3kir h ASP 99 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.88 3kir h ASP 99 CO 0.03 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.88 3kir n GLY 100 N -1.73 2.86 3.79 -0.78 0.00 -0.16 -5.07 105.19 104.10 3kir n GLY 100 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 3kir n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kir s GLU 101 N -0.52 4.33 0.03 1.61 2.12 -1.26 -4.72 118.70 120.30 3kir s GLU 101 Ca 0.00 1.37 0.07 0.00 0.36 0.00 0.00 54.97 56.77 3kir s GLU 101 Cb 0.00 -2.57 -0.03 0.00 0.26 0.00 0.00 34.13 31.79 3kir s GLU 101 CO 0.00 0.03 -0.17 0.15 -0.54 0.00 0.00 175.26 174.73 3kir s LYS 102 N -2.46 2.12 0.27 4.30 1.02 -1.26 -0.16 119.74 123.57 3kir s LYS 102 Ca 0.56 -0.95 -0.05 0.00 0.02 0.00 0.00 55.97 55.55 3kir s LYS 102 Cb -0.18 -2.21 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 3kir s LYS 102 CO 0.24 0.55 0.36 1.03 -0.92 0.00 0.00 175.35 176.60 3kir s ARG 103 N -1.39 1.56 -0.13 1.68 1.81 -0.97 -4.90 118.95 116.60 3kir s ARG 103 Ca 0.15 -1.56 0.01 0.00 -1.72 0.00 0.00 55.73 52.60 3kir s ARG 103 Cb -0.11 0.39 -0.01 0.00 -0.45 0.00 0.00 34.95 34.78 3kir s ARG 103 CO 0.05 -0.61 -0.16 0.71 -0.68 0.00 0.00 175.30 174.61 3kir s TYR 104 N -3.75 2.76 0.00 -0.53 4.12 -1.26 -1.78 117.35 116.91 3kir s TYR 104 Ca 0.31 -0.83 0.08 0.00 0.02 0.00 0.00 57.07 56.65 3kir s TYR 104 Cb 0.02 -1.83 -0.02 0.00 -1.52 0.00 0.00 41.96 38.60 3kir s TYR 104 CO 0.14 -0.33 -0.25 -1.50 0.02 0.00 0.00 175.55 173.63 3kir s ILE 105 N 0.49 2.16 -0.31 2.71 1.10 -0.61 -0.49 121.20 126.24 3kir s ILE 105 Ca -0.11 -1.19 -0.28 0.00 -0.51 0.00 0.00 60.65 58.56 3kir s ILE 105 Cb -0.16 -1.79 -0.03 0.00 0.15 0.00 0.00 42.46 40.63 3kir s ILE 105 CO 0.05 0.50 2.00 -0.51 -2.11 0.00 0.00 174.94 174.86 3kir s ILE 106 N -0.70 3.27 -0.42 2.00 2.07 -1.26 -0.33 121.20 125.83 3kir s ILE 106 Ca 0.11 0.26 -0.30 0.00 -1.41 0.00 0.00 60.65 59.31 3kir s ILE 106 Cb -0.10 -3.38 -0.10 0.00 0.13 0.00 0.00 42.46 39.02 3kir s ILE 106 CO 0.00 -0.25 2.32 0.00 -1.91 0.00 0.00 174.94 175.10 3kir n ALA 107 N 11.23 1.09 -1.30 1.50 0.00 -0.40 -4.80 120.51 127.83 3kir n ALA 107 Ca 0.26 -0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.00 3kir n ALA 107 Cb 0.47 -2.81 0.08 0.00 0.00 0.00 0.00 19.45 17.19 3kir n ALA 107 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kir s PRO 108 N 7.15 2.35 -0.05 0.00 0.04 -1.21 -4.47 135.00 138.80 3kir s PRO 108 Ca 1.07 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 3kir s PRO 108 Cb -0.57 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 3kir s PRO 108 CO 0.39 -1.58 1.40 0.34 0.04 0.00 0.00 177.00 177.59 3kir s ASP 109 N -3.17 6.86 0.00 6.66 3.68 0.15 -3.01 116.67 127.83 3kir s ASP 109 Ca 0.63 2.01 0.00 0.00 2.13 0.00 0.00 52.55 57.32 3kir s ASP 109 Cb -0.18 -2.55 0.00 0.00 -1.45 0.00 0.00 42.92 38.74 3kir s ASP 109 CO 0.53 -0.76 0.00 0.61 0.13 0.00 0.00 175.17 175.68 3kir n GLY 110 N 3.71 2.87 3.57 2.66 0.00 -1.26 -4.65 105.19 112.09 3kir n GLY 110 Ca 0.14 -0.91 -0.46 0.00 0.00 0.00 0.00 46.02 44.79 3kir n GLY 110 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kir n LEU 111 N 0.00 1.46 -4.20 0.99 -0.00 -1.16 -5.00 117.00 109.09 3kir n LEU 111 Ca 0.00 1.16 -0.12 0.00 -0.00 0.00 0.00 56.01 57.06 3kir n LEU 111 Cb 0.00 -1.24 -0.10 0.00 -0.00 0.00 0.00 43.42 42.08 3kir n LEU 111 CO 0.00 -1.50 -0.36 -1.10 -0.00 0.00 0.00 177.39 174.43 3kir s GLN 112 N -1.15 0.95 0.51 1.96 -0.21 -1.26 -4.99 119.66 115.47 3kir s GLN 112 Ca 0.63 -1.42 -0.23 0.00 0.02 0.00 0.00 55.36 54.36 3kir s GLN 112 Cb -0.77 -0.23 -0.06 0.00 1.00 0.00 0.00 33.01 32.95 3kir s GLN 112 CO 0.57 -0.06 1.40 0.28 -2.12 0.00 0.00 175.29 175.36 3kir n VAL 113 N -0.12 3.40 0.00 1.09 0.31 -1.26 -2.29 118.33 119.45 3kir n VAL 113 Ca -0.10 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 3kir n VAL 113 Cb 0.62 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 3kir n VAL 113 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kir n GLY 114 N 0.67 2.31 3.63 2.92 0.00 0.66 -4.96 105.19 110.41 3kir n GLY 114 Ca 0.08 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3kir n GLY 114 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kir n GLN 115 N 0.00 1.11 -4.05 1.61 7.27 -0.97 -4.44 117.38 117.91 3kir n GLN 115 Ca 0.00 0.42 -0.31 0.00 0.07 0.00 0.00 57.00 57.17 3kir n GLN 115 Cb 0.00 -2.18 -0.06 0.00 2.41 0.00 0.00 30.24 30.40 3kir n GLN 115 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 3kir s GLN 116 N -2.57 3.02 0.11 3.69 0.74 -1.26 -0.34 119.66 123.05 3kir s GLN 116 Ca 0.72 -0.58 -0.09 0.00 0.05 0.00 0.00 55.36 55.46 3kir s GLN 116 Cb -0.45 -2.82 -0.00 0.00 1.10 0.00 0.00 33.01 30.84 3kir s GLN 116 CO 0.50 0.60 0.23 0.54 -0.55 0.00 0.00 175.29 176.61 3kir s VAL 117 N -1.33 0.12 0.28 1.34 0.11 0.05 -4.96 120.40 115.99 3kir s VAL 117 Ca 0.28 -1.22 -0.21 0.00 -2.93 0.00 0.00 61.98 57.90 3kir s VAL 117 Cb -0.12 -1.49 0.04 0.00 -1.53 0.00 0.00 36.38 33.28 3kir s VAL 117 CO 0.20 -0.53 0.80 0.54 -3.33 0.00 0.00 175.10 172.78 3kir s VAL 118 N -3.89 0.00 -0.01 2.04 0.11 -1.26 -0.37 120.40 117.02 3kir s VAL 118 Ca 0.09 -0.92 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 3kir s VAL 118 Cb 0.04 -2.27 0.02 0.00 -1.53 0.00 0.00 36.38 32.64 3kir s VAL 118 CO -0.08 0.00 0.01 0.00 -3.33 0.00 0.00 175.10 171.70 3kir s ALA 119 N -3.31 0.13 0.00 1.54 0.00 -1.26 -2.12 121.76 116.74 3kir s ALA 119 Ca 0.13 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.21 3kir s ALA 119 Cb -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3kir s ALA 119 CO 0.07 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.20 3kir n GLY 120 N 3.66 2.05 0.25 0.00 0.00 0.81 -1.64 105.19 110.33 3kir n GLY 120 Ca -0.21 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 3kir n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kir h PRO 121 N 0.00 -0.32 -0.51 1.61 0.11 -1.96 -2.73 132.00 128.19 3kir h PRO 121 Ca 0.00 0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.24 3kir h PRO 121 Cb 0.00 0.07 -0.10 0.00 0.11 0.00 0.00 31.00 31.08 3kir h PRO 121 CO 0.00 -0.22 -0.15 0.38 -0.21 0.00 0.00 178.00 177.80 3kir h ASP 122 N -0.34 -0.56 -0.21 -2.05 3.04 -1.96 -3.46 116.42 110.89 3kir h ASP 122 Ca 0.06 0.16 -0.15 0.00 -3.24 0.00 0.00 57.03 53.87 3kir h ASP 122 Cb 0.42 0.35 0.02 0.00 -1.04 0.00 0.00 39.33 39.08 3kir h ASP 122 CO -0.21 -0.19 -0.06 0.00 -2.04 0.00 0.00 179.24 176.74 3kir n ALA 123 N -2.92 -1.29 -1.88 4.15 0.00 -1.03 -4.88 120.51 112.66 3kir n ALA 123 Ca 0.05 0.10 -0.41 0.00 0.00 0.00 0.00 53.44 53.19 3kir n ALA 123 Cb 0.29 -0.35 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 3kir n ALA 123 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kir s PRO 124 N -0.12 4.54 -1.16 0.00 0.04 -1.26 -4.93 135.00 132.10 3kir s PRO 124 Ca 0.16 1.90 -0.21 0.00 0.04 0.00 0.00 61.00 62.88 3kir s PRO 124 Cb -0.22 -3.19 -0.06 0.00 0.04 0.00 0.00 34.50 31.07 3kir s PRO 124 CO 0.12 0.03 1.90 -0.89 0.04 0.00 0.00 177.00 178.20 3kir n ILE 125 N 1.65 2.48 -3.79 0.56 2.08 -1.26 -4.78 119.36 116.30 3kir n ILE 125 Ca 0.01 -2.49 -0.14 0.00 0.56 0.00 0.00 62.75 60.69 3kir n ILE 125 Cb 0.44 -2.26 -0.15 0.00 -0.75 0.00 0.00 39.64 36.92 3kir n ILE 125 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kir s GLN 126 N 5.49 0.02 -0.22 0.38 -2.07 -1.26 -5.10 119.66 116.91 3kir s GLN 126 Ca 0.62 0.19 -0.19 0.00 -1.82 0.00 0.00 55.36 54.16 3kir s GLN 126 Cb 0.04 -0.15 -0.08 0.00 -1.09 0.00 0.00 33.01 31.72 3kir s GLN 126 CO 0.11 -0.12 0.92 0.28 -1.32 0.00 0.00 175.29 175.16 3kir n VAL 127 N 3.86 0.00 0.00 3.63 0.31 -1.26 -1.90 118.33 122.97 3kir n VAL 127 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3kir n VAL 127 Cb 0.53 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 3kir n VAL 127 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kir n GLY 128 N 3.21 1.03 3.87 2.92 0.00 -0.71 -4.81 105.19 110.71 3kir n GLY 128 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 3kir n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kir s ASN 129 N -1.05 6.55 -0.02 1.61 0.01 -0.80 -4.62 114.94 116.62 3kir s ASN 129 Ca 0.00 1.21 0.07 0.00 -0.71 0.00 0.00 52.86 53.43 3kir s ASN 129 Cb 0.00 -2.35 -0.02 0.00 0.41 0.00 0.00 41.25 39.29 3kir s ASN 129 CO 0.00 -0.41 -0.24 0.00 -1.51 0.00 0.00 177.10 174.94 3kir s ALA 130 N -2.38 2.01 0.09 0.60 0.00 -0.90 -0.46 121.76 120.71 3kir s ALA 130 Ca 0.53 -1.03 -0.18 0.00 0.00 0.00 0.00 51.96 51.28 3kir s ALA 130 Cb -0.10 -0.53 0.04 0.00 0.00 0.00 0.00 23.12 22.52 3kir s ALA 130 CO 0.30 0.47 0.42 -0.51 0.00 0.00 0.00 175.76 176.45 3kir s LEU 131 N -0.49 0.34 0.33 0.00 1.02 -0.89 -0.14 118.68 118.85 3kir s LEU 131 Ca 0.07 -0.14 -0.29 0.00 0.02 0.00 0.00 54.13 53.79 3kir s LEU 131 Cb -0.10 1.84 -0.12 0.00 0.02 0.00 0.00 46.19 47.84 3kir s LEU 131 CO -0.00 -0.77 1.50 -2.65 0.02 0.00 0.00 176.35 174.44 3kir n PRO 132 N 0.11 2.56 -0.30 1.29 -0.02 -1.26 -2.54 135.00 134.84 3kir n PRO 132 Ca -0.17 0.90 0.08 0.00 -2.02 0.00 0.00 63.50 62.29 3kir n PRO 132 Cb 0.62 -2.63 0.20 0.00 -0.02 0.00 0.00 33.50 31.67 3kir n PRO 132 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kir h LEU 133 N 3.68 -0.48 -1.49 2.45 3.38 0.21 -0.09 115.31 122.96 3kir h LEU 133 Ca -0.48 0.24 0.35 0.00 0.09 0.00 0.00 57.88 58.08 3kir h LEU 133 Cb 1.24 0.43 -0.10 0.00 0.09 0.00 0.00 40.66 42.33 3kir h LEU 133 CO 0.70 -0.26 0.79 0.08 0.09 0.00 0.00 178.44 179.85 3kir h ARG 134 N 0.05 0.20 -0.73 1.13 0.11 -1.55 0.36 114.38 113.97 3kir h ARG 134 Ca 0.48 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.55 3kir h ARG 134 Cb 0.88 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.92 3kir h ARG 134 CO -0.80 0.13 0.00 1.19 0.10 0.00 0.00 179.97 180.59 3kir n PHE 135 N -4.57 1.23 -4.63 4.08 0.99 -0.05 -4.83 117.46 109.69 3kir n PHE 135 Ca 0.31 -0.43 -0.33 0.00 -0.00 0.00 0.00 57.45 56.99 3kir n PHE 135 Cb 1.18 -0.33 -0.14 0.00 -1.00 0.00 0.00 39.48 39.20 3kir n PHE 135 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3kir s ILE 136 N -2.03 3.31 -0.05 4.37 1.01 0.13 -4.98 121.20 122.95 3kir s ILE 136 Ca 0.33 -0.57 -0.37 0.00 0.00 0.00 0.00 60.65 60.04 3kir s ILE 136 Cb 0.25 -2.41 -0.16 0.00 0.01 0.00 0.00 42.46 40.15 3kir s ILE 136 CO 0.10 0.51 1.56 -2.65 0.00 0.00 0.00 174.94 174.47 3kir n PRO 137 N 3.57 1.35 -1.70 2.79 -0.02 -1.26 -4.88 135.00 134.85 3kir n PRO 137 Ca -0.18 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 3kir n PRO 137 Cb 0.53 -2.18 -0.01 0.00 -0.02 0.00 0.00 33.50 31.82 3kir n PRO 137 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3kir n VAL 138 N 3.61 2.01 0.00 -1.45 3.14 -1.26 -2.47 118.33 121.90 3kir n VAL 138 Ca 0.22 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 3kir n VAL 138 Cb 0.19 -1.60 0.00 0.00 -1.06 0.00 0.00 33.84 31.36 3kir n VAL 138 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kir n GLY 139 N 0.74 2.99 3.41 7.55 0.00 -0.02 -5.00 105.19 114.87 3kir n GLY 139 Ca 0.04 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 3kir n GLY 139 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kir n THR 140 N 0.00 1.70 -3.68 2.61 -2.24 -1.03 -4.13 114.28 107.51 3kir n THR 140 Ca 0.00 -0.48 -0.37 0.00 -2.27 0.00 0.00 64.05 60.93 3kir n THR 140 Cb 0.00 -0.55 -0.06 0.00 -2.10 0.00 0.00 70.33 67.62 3kir n THR 140 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3kir s VAL 141 N -1.82 5.30 0.07 2.28 -7.23 -1.26 -2.70 120.40 115.04 3kir s VAL 141 Ca 0.65 0.49 -0.03 0.00 -1.81 0.00 0.00 61.98 61.28 3kir s VAL 141 Cb -0.43 -3.55 -0.03 0.00 0.56 0.00 0.00 36.38 32.93 3kir s VAL 141 CO 0.58 0.55 0.04 0.54 -0.31 0.00 0.00 175.10 176.50 3kir s VAL 142 N -0.69 0.19 0.02 1.32 0.11 0.14 -0.43 120.40 121.06 3kir s VAL 142 Ca 0.18 -1.64 0.00 0.00 -2.93 0.00 0.00 61.98 57.59 3kir s VAL 142 Cb -0.14 -1.51 -0.00 0.00 -1.53 0.00 0.00 36.38 33.20 3kir s VAL 142 CO 0.07 -0.86 0.01 0.00 -3.33 0.00 0.00 175.10 170.98 3kir n HIS 143 N 0.05 0.01 -4.10 1.54 1.44 -0.54 -0.47 115.22 113.15 3kir n HIS 143 Ca -0.14 -0.10 -0.39 0.00 -2.01 0.00 0.00 57.72 55.08 3kir n HIS 143 Cb 0.62 -0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.71 3kir n HIS 143 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kir n ALA 144 N -2.92 -2.31 -2.33 1.59 0.00 0.18 -1.94 120.51 112.77 3kir n ALA 144 Ca -0.01 -0.51 -0.34 0.00 0.00 0.00 0.00 53.44 52.59 3kir n ALA 144 Cb 0.02 -1.86 -0.06 0.00 0.00 0.00 0.00 19.45 17.56 3kir n ALA 144 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kir s VAL 145 N -3.84 4.83 0.50 0.00 1.01 -0.64 -3.98 120.40 118.28 3kir s VAL 145 Ca 0.32 0.78 -0.05 0.00 0.00 0.00 0.00 61.98 63.03 3kir s VAL 145 Cb -0.18 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3kir s VAL 145 CO 0.90 0.10 0.81 -1.61 0.00 0.00 0.00 175.10 175.30 3kir s GLU 146 N -2.31 3.44 -0.27 2.72 2.02 -0.81 -0.68 118.70 122.80 3kir s GLU 146 Ca 0.43 0.17 -0.12 0.00 0.02 0.00 0.00 54.97 55.46 3kir s GLU 146 Cb -0.14 -2.35 -0.12 0.00 0.10 0.00 0.00 34.13 31.62 3kir s GLU 146 CO 0.20 -0.29 -0.34 -0.11 0.02 0.00 0.00 175.26 174.73 3kir n LEU 147 N -2.32 1.98 -4.26 1.80 7.94 -1.26 -4.84 117.00 116.04 3kir n LEU 147 Ca 0.01 0.30 -0.31 0.00 -1.11 0.00 0.00 56.01 54.90 3kir n LEU 147 Cb 0.55 -0.80 -0.16 0.00 0.53 0.00 0.00 43.42 43.54 3kir n LEU 147 CO 0.53 0.59 -0.56 -1.61 -1.11 0.00 0.00 177.39 175.23 3kir s GLU 148 N -2.50 2.54 0.29 1.96 2.02 -1.26 -4.11 118.70 117.65 3kir s GLU 148 Ca -0.38 -0.89 -0.27 0.00 0.02 0.00 0.00 54.97 53.46 3kir s GLU 148 Cb 0.14 -2.14 -0.14 0.00 0.10 0.00 0.00 34.13 32.09 3kir s GLU 148 CO 0.48 0.36 0.83 -0.35 0.02 0.00 0.00 175.26 176.60 3kir n PRO 149 N 3.01 0.94 -1.57 0.39 -0.04 -1.26 -2.21 135.00 134.25 3kir n PRO 149 Ca -0.18 0.33 -0.18 0.00 -0.04 0.00 0.00 63.50 63.43 3kir n PRO 149 Cb 0.52 -1.61 -0.08 0.00 -0.04 0.00 0.00 33.50 32.29 3kir n PRO 149 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3kir n LYS 150 N 0.74 -1.29 -0.02 0.54 4.76 -1.26 -4.86 118.16 116.77 3kir n LYS 150 Ca 0.12 1.14 0.06 0.00 -2.87 0.00 0.00 58.31 56.76 3kir n LYS 150 Cb 0.32 -5.43 0.06 0.00 -1.84 0.00 0.00 35.03 28.14 3kir n LYS 150 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3kir n LYS 151 N -2.47 0.96 0.00 1.97 5.02 -0.94 -5.10 118.16 117.60 3kir n LYS 151 Ca -0.19 -1.34 0.00 0.00 -2.02 0.00 0.00 58.31 54.76 3kir n LYS 151 Cb 0.61 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 3kir n LYS 151 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kir n GLY 152 N 0.73 1.38 3.76 0.72 0.00 -1.26 -4.97 105.19 105.54 3kir n GLY 152 Ca 0.08 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 3kir n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kir s ALA 153 N -2.45 3.47 0.00 4.61 0.00 0.18 -4.25 121.76 123.32 3kir s ALA 153 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.03 3kir s ALA 153 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3kir s ALA 153 CO 0.00 -0.43 0.00 1.63 0.00 0.00 0.00 175.76 176.96 3kir n LYS 154 N 1.49 0.44 -4.46 0.00 5.02 0.14 -4.93 118.16 115.87 3kir n LYS 154 Ca 0.01 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.96 3kir n LYS 154 Cb 0.43 -0.04 -0.10 0.00 -0.02 0.00 0.00 35.03 35.31 3kir n LYS 154 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kir s LEU 155 N 0.00 3.43 -0.27 -0.35 1.02 -0.14 -4.83 118.68 117.54 3kir s LEU 155 Ca 0.00 0.08 -0.14 0.00 0.02 0.00 0.00 54.13 54.09 3kir s LEU 155 Cb 0.00 -1.78 0.02 0.00 0.02 0.00 0.00 46.19 44.46 3kir s LEU 155 CO 0.00 0.37 0.30 0.00 0.02 0.00 0.00 176.35 177.04 3kir n ALA 156 N 2.15 -2.58 -0.13 4.21 0.00 -1.26 -1.62 120.51 121.27 3kir n ALA 156 Ca -0.18 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3kir n ALA 156 Cb 0.53 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3kir n ALA 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kir n ARG 157 N 0.46 1.08 -2.53 0.00 1.74 -1.26 -0.64 116.66 115.52 3kir n ARG 157 Ca -0.00 -0.02 -0.36 0.00 -0.77 0.00 0.00 57.85 56.70 3kir n ARG 157 Cb 0.44 -0.18 -0.04 0.00 -1.02 0.00 0.00 32.46 31.66 3kir n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kir s ALA 158 N -0.16 3.04 0.02 7.54 0.00 -1.26 -4.49 121.76 126.45 3kir s ALA 158 Ca 0.00 0.69 -0.35 0.00 0.00 0.00 0.00 51.96 52.30 3kir s ALA 158 Cb 0.00 -3.27 -0.18 0.00 0.00 0.00 0.00 23.12 19.67 3kir s ALA 158 CO 0.00 -0.25 0.93 0.00 0.00 0.00 0.00 175.76 176.44 3kir n ALA 159 N -0.26 -3.32 -0.86 0.00 0.00 -1.26 -0.49 120.51 114.31 3kir n ALA 159 Ca 0.06 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3kir n ALA 159 Cb 0.50 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3kir n ALA 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kir n GLY 160 N 1.41 0.10 3.92 0.00 0.00 0.10 -4.78 105.19 105.94 3kir n GLY 160 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 3kir n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kir s THR 161 N -1.25 2.66 -0.28 2.61 -4.23 0.35 -4.69 115.64 110.80 3kir s THR 161 Ca 0.00 -0.17 -0.29 0.00 -1.18 0.00 0.00 61.69 60.05 3kir s THR 161 Cb 0.00 -3.13 0.19 0.00 1.34 0.00 0.00 72.50 70.90 3kir s THR 161 CO 0.00 -0.14 1.35 -0.94 -0.54 0.00 0.00 174.62 174.35 3kir s SER 162 N -4.46 -0.05 0.19 3.99 1.04 -1.26 -1.59 113.70 111.56 3kir s SER 162 Ca 0.59 0.05 0.08 0.00 0.48 0.00 0.00 55.95 57.15 3kir s SER 162 Cb -0.11 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 3kir s SER 162 CO 0.45 -0.04 -0.02 0.00 0.98 0.00 0.00 173.24 174.61 3kir s ALA 163 N -0.98 3.15 -0.01 5.32 0.00 0.38 -4.01 121.76 125.62 3kir s ALA 163 Ca 0.08 -1.42 0.07 0.00 0.00 0.00 0.00 51.96 50.69 3kir s ALA 163 Cb -0.01 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 3kir s ALA 163 CO -0.08 0.45 -0.21 -1.14 0.00 0.00 0.00 175.76 174.78 3kir s GLN 164 N -3.01 1.67 -0.12 0.00 0.74 -1.11 -0.69 119.66 117.13 3kir s GLN 164 Ca 0.27 -0.79 -0.29 0.00 0.05 0.00 0.00 55.36 54.60 3kir s GLN 164 Cb -0.09 -1.64 -0.02 0.00 1.10 0.00 0.00 33.01 32.36 3kir s GLN 164 CO 0.18 0.45 1.20 0.42 -0.55 0.00 0.00 175.29 176.99 3kir s ILE 165 N -0.55 4.34 -0.16 -2.34 -1.09 -1.10 -1.59 121.20 118.72 3kir s ILE 165 Ca 0.08 1.64 -0.05 0.00 -2.23 0.00 0.00 60.65 60.08 3kir s ILE 165 Cb -0.08 -4.05 -0.24 0.00 -1.58 0.00 0.00 42.46 36.51 3kir s ILE 165 CO -0.00 -0.08 0.22 1.67 -1.23 0.00 0.00 174.94 175.52 3kir n GLN 166 N 5.90 0.73 -3.27 2.79 -0.06 0.13 -0.84 117.38 122.75 3kir n GLN 166 Ca 0.12 0.25 0.00 0.00 -2.00 0.00 0.00 57.00 55.37 3kir n GLN 166 Cb 0.46 -1.66 0.00 0.00 -4.06 0.00 0.00 30.24 24.97 3kir n GLN 166 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3kir n GLY 167 N 2.03 -1.50 3.80 1.69 0.00 -1.23 -4.74 105.19 105.24 3kir n GLY 167 Ca -0.35 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.39 3kir n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kir s ARG 168 N -1.57 2.33 0.00 1.61 1.81 -1.26 0.64 118.95 122.51 3kir s ARG 168 Ca 0.00 -1.76 0.00 0.00 -1.72 0.00 0.00 55.73 52.25 3kir s ARG 168 Cb 0.00 -2.12 0.00 0.00 -0.45 0.00 0.00 34.95 32.38 3kir s ARG 168 CO 0.00 -0.18 0.00 -1.91 -0.68 0.00 0.00 175.30 172.53 3kir n GLU 169 N -1.38 0.00 0.00 3.54 2.13 -0.24 -4.84 120.64 119.86 3kir n GLU 169 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3kir n GLU 169 Cb 0.64 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.35 3kir n GLU 169 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kir n GLY 170 N 0.00 -0.05 0.00 8.31 0.00 -1.26 -3.16 105.19 109.02 3kir n GLY 170 Ca 0.00 -1.20 0.14 0.00 0.00 0.00 0.00 46.02 44.96 3kir n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kir n ASP 171 N 1.62 0.00 -4.78 1.61 8.00 -1.26 -4.77 116.55 116.97 3kir n ASP 171 Ca 0.00 -0.80 -0.32 0.00 0.71 0.00 0.00 54.79 54.37 3kir n ASP 171 Cb 0.00 -0.03 -0.07 0.00 -0.02 0.00 0.00 41.12 41.00 3kir n ASP 171 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kir s TYR 172 N -2.07 3.27 0.09 1.24 2.02 -1.19 0.23 117.35 120.94 3kir s TYR 172 Ca 0.41 0.18 0.09 0.00 -0.37 0.00 0.00 57.07 57.37 3kir s TYR 172 Cb 0.19 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 3kir s TYR 172 CO 0.34 0.54 -0.20 0.54 -1.57 0.00 0.00 175.55 175.20 3kir s VAL 173 N -1.24 2.67 -0.24 0.71 0.11 0.87 -1.08 120.40 122.20 3kir s VAL 173 Ca 0.24 -1.45 -0.11 0.00 -2.93 0.00 0.00 61.98 57.73 3kir s VAL 173 Cb -0.12 -2.18 -0.05 0.00 -1.53 0.00 0.00 36.38 32.51 3kir s VAL 173 CO 0.16 0.19 0.21 -0.63 -3.33 0.00 0.00 175.10 171.69 3kir s ILE 174 N -1.04 5.32 0.06 7.04 1.01 0.21 -0.42 121.20 133.38 3kir s ILE 174 Ca 0.16 0.26 0.06 0.00 0.00 0.00 0.00 60.65 61.13 3kir s ILE 174 Cb -0.10 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 3kir s ILE 174 CO 0.07 0.31 -0.11 -0.76 0.00 0.00 0.00 174.94 174.45 3kir s LEU 175 N 1.27 2.97 -0.47 2.97 1.43 -0.12 0.17 118.68 126.91 3kir s LEU 175 Ca 0.09 -0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 3kir s LEU 175 Cb -0.14 -1.75 0.12 0.00 0.03 0.00 0.00 46.19 44.45 3kir s LEU 175 CO 0.06 0.22 0.30 -0.60 0.23 0.00 0.00 176.35 176.57 3kir s ARG 176 N -1.81 2.29 0.84 1.70 3.52 -0.62 -0.83 118.95 124.03 3kir s ARG 176 Ca 0.19 -1.89 -0.10 0.00 -0.13 0.00 0.00 55.73 53.79 3kir s ARG 176 Cb -0.11 -3.76 0.10 0.00 -1.56 0.00 0.00 34.95 29.62 3kir s ARG 176 CO 0.10 -1.14 1.11 -0.51 -0.81 0.00 0.00 175.30 174.05 3kir s LEU 177 N 1.08 2.86 0.34 -0.88 1.43 -0.14 -2.75 118.68 120.61 3kir s LEU 177 Ca 0.08 1.91 0.13 0.00 -1.03 0.00 0.00 54.13 55.22 3kir s LEU 177 Cb -0.24 -4.46 1.07 0.00 0.03 0.00 0.00 46.19 42.59 3kir s LEU 177 CO -0.03 -2.48 1.63 -0.65 0.23 0.00 0.00 176.35 175.05 3kir h PRO 178 N -1.44 0.19 0.00 1.29 0.11 -1.90 0.92 132.00 131.18 3kir h PRO 178 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kir h PRO 178 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kir h PRO 178 CO 0.48 0.12 0.00 -1.13 -0.21 0.00 0.00 178.00 177.27 3kir n SER 179 N -5.17 0.32 0.00 -2.05 3.41 -1.26 -4.83 113.62 104.04 3kir n SER 179 Ca 0.31 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 3kir n SER 179 Cb 1.00 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3kir n SER 179 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kir n GLY 180 N -0.36 0.49 3.77 5.00 0.00 0.32 -5.06 105.19 109.35 3kir n GLY 180 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3kir n GLY 180 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kir s GLU 181 N -0.91 4.24 -0.44 1.61 2.12 -1.24 -4.75 118.70 119.32 3kir s GLU 181 Ca 0.00 1.76 -0.13 0.00 0.36 0.00 0.00 54.97 56.96 3kir s GLU 181 Cb 0.00 -2.78 0.07 0.00 0.26 0.00 0.00 34.13 31.67 3kir s GLU 181 CO 0.00 -0.14 0.33 -0.51 -0.54 0.00 0.00 175.26 174.40 3kir s LEU 182 N -2.25 5.35 -0.01 2.70 1.43 -1.26 -0.97 118.68 123.68 3kir s LEU 182 Ca 0.54 -1.31 0.08 0.00 -1.03 0.00 0.00 54.13 52.41 3kir s LEU 182 Cb -0.29 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 3kir s LEU 182 CO 0.37 -0.57 -0.26 -0.60 0.23 0.00 0.00 176.35 175.52 3kir s ARG 183 N 1.57 2.08 -0.16 1.70 3.52 -0.01 -1.65 118.95 126.00 3kir s ARG 183 Ca 0.04 -0.95 -0.28 0.00 -0.13 0.00 0.00 55.73 54.41 3kir s ARG 183 Cb -0.23 -2.04 -0.01 0.00 -1.56 0.00 0.00 34.95 31.12 3kir s ARG 183 CO 0.06 0.56 0.96 0.15 -0.81 0.00 0.00 175.30 176.21 3kir s LYS 184 N -0.68 4.33 0.06 5.12 1.02 0.19 -0.94 119.74 128.85 3kir s LYS 184 Ca 0.10 1.26 0.10 0.00 0.02 0.00 0.00 55.97 57.45 3kir s LYS 184 Cb -0.10 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.60 3kir s LYS 184 CO -0.01 -0.41 -0.26 0.08 -0.92 0.00 0.00 175.35 173.83 3kir s VAL 185 N 2.41 2.16 0.49 3.17 1.01 0.44 -4.91 120.40 125.16 3kir s VAL 185 Ca 0.44 -1.47 -0.24 0.00 0.00 0.00 0.00 61.98 60.71 3kir s VAL 185 Cb -0.17 -1.86 -0.07 0.00 0.00 0.00 0.00 36.38 34.28 3kir s VAL 185 CO 0.13 0.30 1.40 -2.28 0.00 0.00 0.00 175.10 174.65 3kir s HIS 186 N -0.86 2.39 0.37 5.22 2.46 -1.26 -0.09 115.29 123.52 3kir s HIS 186 Ca 0.12 1.30 0.07 0.00 0.47 0.00 0.00 55.06 57.03 3kir s HIS 186 Cb -0.10 -3.88 0.72 0.00 -0.13 0.00 0.00 32.58 29.20 3kir s HIS 186 CO 0.03 -2.93 1.92 0.78 -2.47 0.00 0.00 174.74 172.07 3kir h GLY 187 N 1.99 0.42 2.00 1.59 0.00 -0.55 -2.52 103.07 106.00 3kir h GLY 187 Ca -0.51 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.58 3kir h GLY 187 CO 0.60 0.22 0.00 0.83 0.00 0.00 0.00 176.54 178.19 3kir h GLU 188 N 0.38 0.00 -6.48 4.80 4.39 -1.91 -1.32 114.58 114.45 3kir h GLU 188 Ca 0.08 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.25 3kir h GLU 188 Cb 0.30 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3kir h GLU 188 CO 0.01 0.00 0.93 0.00 -1.16 0.00 0.00 179.01 178.79 3kir s TYR 190 N 2.18 2.22 -0.29 0.00 1.51 -1.26 -0.21 117.35 121.51 3kir s TYR 190 Ca 0.71 0.95 -0.23 0.00 -1.01 0.00 0.00 57.07 57.49 3kir s TYR 190 Cb -0.39 -3.30 0.15 0.00 -0.11 0.00 0.00 41.96 38.32 3kir s TYR 190 CO 0.31 -2.74 1.15 0.00 -1.11 0.00 0.00 175.55 173.15 3kir s ALA 191 N -3.05 -2.15 -0.24 3.71 0.00 -1.05 -1.92 121.76 117.04 3kir s ALA 191 Ca 0.65 1.90 -0.10 0.00 0.00 0.00 0.00 51.96 54.40 3kir s ALA 191 Cb -0.17 -1.63 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 3kir s ALA 191 CO 0.56 -0.23 0.16 -0.08 0.00 0.00 0.00 175.76 176.18 3kir s THR 192 N 0.46 5.34 0.14 0.00 -1.32 -0.82 -2.09 115.64 117.35 3kir s THR 192 Ca 0.01 0.17 -0.35 0.00 -1.21 0.00 0.00 61.69 60.32 3kir s THR 192 Cb -0.05 -3.49 -0.16 0.00 -1.51 0.00 0.00 72.50 67.30 3kir s THR 192 CO -0.11 0.34 1.33 0.55 -2.21 0.00 0.00 174.62 174.52 3kir n VAL 193 N 4.36 0.36 0.00 5.08 3.14 0.39 -1.54 118.33 130.11 3kir n VAL 193 Ca -0.15 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 3kir n VAL 193 Cb 0.52 -0.99 0.00 0.00 -1.06 0.00 0.00 33.84 32.31 3kir n VAL 193 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kir n GLY 194 N 2.46 1.14 3.91 7.55 0.00 0.43 -1.73 105.19 118.95 3kir n GLY 194 Ca 0.17 -2.12 -0.21 0.00 0.00 0.00 0.00 46.02 43.85 3kir n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kir s ALA 195 N -1.48 3.83 0.00 4.61 0.00 -1.26 -1.47 121.76 125.99 3kir s ALA 195 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.58 3kir s ALA 195 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.62 3kir s ALA 195 CO 0.00 0.18 0.81 0.28 0.00 0.00 0.00 175.76 177.04 3kir n VAL 196 N -1.35 0.00 0.00 0.00 0.31 -0.62 0.31 118.33 116.98 3kir n VAL 196 Ca -0.07 1.31 0.00 0.00 -0.01 0.00 0.00 64.34 65.58 3kir n VAL 196 Cb 0.58 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 3kir n VAL 196 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kir n GLY 197 N -0.89 3.06 3.61 2.92 0.00 -1.26 -0.12 105.19 112.51 3kir n GLY 197 Ca 0.00 -1.97 -0.21 0.00 0.00 0.00 0.00 46.02 43.84 3kir n GLY 197 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kir n ASN 198 N 0.00 -2.36 0.00 1.61 4.05 -1.26 -0.72 115.26 116.58 3kir n ASN 198 Ca 0.00 -0.71 0.11 0.00 0.45 0.00 0.00 54.58 54.43 3kir n ASN 198 Cb 0.00 -4.54 0.62 0.00 1.23 0.00 0.00 39.78 37.09 3kir n ASN 198 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kir n ALA 199 N -4.33 2.24 0.74 5.20 0.00 -1.26 -2.24 120.51 120.87 3kir n ALA 199 Ca -0.23 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.20 3kir n ALA 199 Cb 0.65 -1.37 0.49 0.00 0.00 0.00 0.00 19.45 19.22 3kir n ALA 199 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kir n ASP 200 N -1.16 0.23 -0.32 0.00 8.00 -1.26 -3.98 116.55 118.04 3kir n ASP 200 Ca 0.14 0.53 0.16 0.00 0.71 0.00 0.00 54.79 56.33 3kir n ASP 200 Cb 0.14 -0.59 0.32 0.00 -0.02 0.00 0.00 41.12 40.97 3kir n ASP 200 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 3kir h HIS 201 N 0.00 0.18 0.00 1.24 2.76 -1.81 0.86 115.15 118.38 3kir h HIS 201 Ca 0.00 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3kir h HIS 201 Cb 0.47 0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.51 3kir h HIS 201 CO 0.00 -0.36 0.00 1.57 -1.30 0.00 0.00 177.93 177.84 3kir h LYS 202 N 0.07 0.00 -0.12 5.26 2.10 -1.86 -2.86 116.57 119.16 3kir h LYS 202 Ca 0.61 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.26 3kir h LYS 202 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 3kir h LYS 202 CO -0.81 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 176.73 3kir n ASN 203 N -2.97 1.21 -4.80 7.07 3.02 0.30 -4.89 115.26 114.20 3kir n ASN 203 Ca -0.01 -1.62 -0.37 0.00 -0.03 0.00 0.00 54.58 52.54 3kir n ASN 203 Cb 0.17 -0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 39.21 3kir n ASN 203 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3kir s ILE 204 N -1.85 4.50 -0.33 2.41 -4.36 -1.08 -4.97 121.20 115.51 3kir s ILE 204 Ca 0.31 1.42 -0.03 0.00 -0.26 0.00 0.00 60.65 62.09 3kir s ILE 204 Cb 0.16 -3.94 0.06 0.00 1.25 0.00 0.00 42.46 39.99 3kir s ILE 204 CO 0.25 0.30 0.07 -0.69 0.24 0.00 0.00 174.94 175.11 3kir s VAL 205 N -1.41 3.22 0.22 8.37 1.01 -1.25 -4.99 120.40 125.58 3kir s VAL 205 Ca 0.41 -1.50 -0.18 0.00 0.00 0.00 0.00 61.98 60.71 3kir s VAL 205 Cb -0.19 -2.94 0.23 0.00 0.00 0.00 0.00 36.38 33.49 3kir s VAL 205 CO 0.22 -0.27 1.56 -0.07 0.00 0.00 0.00 175.10 176.55 3kir h LEU 206 N 8.06 -1.37 0.00 3.92 3.38 -1.90 -2.07 115.31 125.33 3kir h LEU 206 Ca -0.19 0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kir h LEU 206 Cb 1.06 0.72 0.00 0.00 0.09 0.00 0.00 40.66 42.53 3kir h LEU 206 CO 0.59 -0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.43 3kir n GLY 207 N -1.47 2.02 2.12 0.83 0.00 -1.26 -4.57 105.19 102.85 3kir n GLY 207 Ca 0.09 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 3kir n GLY 207 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kir n LYS 208 N 0.00 1.04 0.03 1.61 2.85 -1.26 -4.72 118.16 117.72 3kir n LYS 208 Ca 0.00 -1.92 -0.15 0.00 -1.05 0.00 0.00 58.31 55.20 3kir n LYS 208 Cb 0.00 0.21 -0.04 0.00 -0.65 0.00 0.00 35.03 34.55 3kir n LYS 208 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kir h ALA 209 N 0.72 0.38 -3.00 0.58 0.00 -1.97 -3.40 119.26 112.57 3kir h ALA 209 Ca -0.19 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3kir h ALA 209 Cb 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3kir h ALA 209 CO 0.31 0.74 0.00 0.41 0.00 0.00 0.00 179.25 180.70 3kir n GLY 210 N 0.77 -1.71 5.00 0.00 0.00 -1.26 -3.44 105.19 104.54 3kir n GLY 210 Ca -0.07 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.43 3kir n GLY 210 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kir n ARG 211 N -0.60 0.00 0.15 1.61 3.00 -1.26 -3.69 116.66 115.87 3kir n ARG 211 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.86 3kir n ARG 211 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 32.46 32.78 3kir n ARG 211 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3kir h SER 212 N 0.00 0.09 0.14 6.15 0.87 -1.76 -0.77 113.55 118.27 3kir h SER 212 Ca 0.00 -0.03 -0.30 0.00 -1.23 0.00 0.00 61.79 60.22 3kir h SER 212 Cb 0.00 -0.02 0.03 0.00 -0.44 0.00 0.00 62.40 61.97 3kir h SER 212 CO 0.00 0.45 -1.27 0.03 -0.53 0.00 0.00 176.83 175.51 3kir h ARG 213 N 0.07 0.63 -0.64 2.24 2.47 -1.63 -1.55 114.38 115.96 3kir h ARG 213 Ca 0.01 -0.85 0.03 0.00 -1.26 0.00 0.00 59.98 57.91 3kir h ARG 213 Cb 0.69 0.28 -0.04 0.00 -1.65 0.00 0.00 29.97 29.26 3kir h ARG 213 CO 0.05 1.39 0.43 -1.49 0.56 0.00 0.00 179.97 180.91 3kir h TRP 214 N 0.27 0.73 0.00 3.04 6.55 -1.72 0.20 115.95 125.02 3kir h TRP 214 Ca -0.20 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.66 3kir h TRP 214 Cb 1.95 -0.24 0.00 0.00 -0.86 0.00 0.00 29.16 30.00 3kir h TRP 214 CO 0.12 0.43 0.00 1.28 -1.05 0.00 0.00 178.44 179.21 3kir n LEU 215 N -4.46 0.31 -1.03 -4.49 4.77 -0.34 -2.59 117.00 109.17 3kir n LEU 215 Ca 0.08 -0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 55.79 3kir n LEU 215 Cb 0.13 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 3kir n LEU 215 CO 0.35 0.08 -0.12 0.61 -1.33 0.00 0.00 177.39 176.97 3kir n GLY 216 N 0.29 0.72 3.24 -0.72 0.00 0.69 -4.95 105.19 104.46 3kir n GLY 216 Ca 0.00 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 3kir n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kir s ARG 217 N -3.58 2.51 0.82 1.61 0.52 -0.59 -2.46 118.95 117.77 3kir s ARG 217 Ca 0.00 -1.44 -0.11 0.00 -0.52 0.00 0.00 55.73 53.66 3kir s ARG 217 Cb 0.00 -3.65 0.08 0.00 0.52 0.00 0.00 34.95 31.90 3kir s ARG 217 CO 0.00 -0.89 1.09 1.03 0.02 0.00 0.00 175.30 176.55 3kir s ARG 218 N 1.37 1.90 0.53 3.54 1.81 0.03 -4.05 118.95 124.09 3kir s ARG 218 Ca 0.02 1.03 -0.22 0.00 -1.72 0.00 0.00 55.73 54.84 3kir s ARG 218 Cb -0.22 -1.87 -0.05 0.00 -0.45 0.00 0.00 34.95 32.36 3kir s ARG 218 CO 0.01 -1.85 1.38 -1.25 -0.68 0.00 0.00 175.30 172.91 3kir s PRO 219 N -4.92 3.24 -0.30 3.54 0.04 -1.26 -4.84 135.00 130.51 3kir s PRO 219 Ca 0.62 2.29 -0.05 0.00 0.04 0.00 0.00 61.00 63.90 3kir s PRO 219 Cb -0.17 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.05 3kir s PRO 219 CO 0.56 -1.12 0.05 -1.58 0.04 0.00 0.00 177.00 174.95 3kir s HIS 220 N -1.28 3.17 -0.17 0.56 2.46 -1.26 -4.73 115.29 114.04 3kir s HIS 220 Ca 0.69 -1.31 -0.17 0.00 0.47 0.00 0.00 55.06 54.74 3kir s HIS 220 Cb -0.41 -2.20 -0.04 0.00 -0.13 0.00 0.00 32.58 29.80 3kir s HIS 220 CO 0.50 -0.67 0.42 0.54 -2.47 0.00 0.00 174.74 173.06 3kir s VAL 221 N 1.41 5.20 0.55 0.89 0.11 -1.26 -5.04 120.40 122.26 3kir s VAL 221 Ca 0.00 0.78 -0.22 0.00 -2.93 0.00 0.00 61.98 59.62 3kir s VAL 221 Cb -0.18 -3.75 -0.05 0.00 -1.53 0.00 0.00 36.38 30.87 3kir s VAL 221 CO 0.01 0.28 1.32 0.54 -3.33 0.00 0.00 175.10 173.92 3kir n ARG 222 N 4.17 1.61 0.09 1.54 1.74 -1.26 -4.97 116.66 119.57 3kir n ARG 222 Ca -0.08 0.59 -0.05 0.00 -0.77 0.00 0.00 57.85 57.55 3kir n ARG 222 Cb 0.51 -2.53 -0.02 0.00 -1.02 0.00 0.00 32.46 29.40 3kir n ARG 222 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3kir h GLY 223 N 1.34 -0.65 -6.87 -0.13 0.00 -1.96 -3.33 103.07 91.48 3kir h GLY 223 Ca -0.50 0.28 -0.58 0.00 0.00 0.00 0.00 47.33 46.53 3kir h GLY 223 CO 0.56 -0.23 1.35 0.00 0.00 0.00 0.00 176.54 178.23 3kir s ALA 224 N -3.81 2.84 0.00 3.60 0.00 -1.26 0.33 121.76 123.47 3kir s ALA 224 Ca -0.04 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.40 3kir s ALA 224 Cb 0.01 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 19.10 3kir s ALA 224 CO 0.14 -2.64 0.00 0.00 0.00 0.00 0.00 175.76 173.26 3kir n ALA 225 N 10.69 0.00 -2.63 0.00 0.00 -1.25 -4.96 120.51 122.36 3kir n ALA 225 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.54 3kir n ALA 225 Cb 0.46 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.98 3kir n ALA 225 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3kir n MET 226 N 0.00 0.29 -4.15 0.00 2.81 0.15 -4.96 117.12 111.26 3kir n MET 226 Ca 0.00 -1.89 -0.23 0.00 -1.81 0.00 0.00 57.70 53.76 3kir n MET 226 Cb 0.00 -0.37 -0.07 0.00 -0.71 0.00 0.00 33.22 32.08 3kir n MET 226 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3kir s ASN 227 N -3.64 4.63 0.34 7.83 -0.87 -1.26 -1.31 114.94 120.67 3kir s ASN 227 Ca 0.43 -0.76 0.19 0.00 -1.57 0.00 0.00 52.86 51.15 3kir s ASN 227 Cb -0.03 -0.74 1.24 0.00 -0.02 0.00 0.00 41.25 41.70 3kir s ASN 227 CO 0.28 -0.24 1.48 -2.65 -2.57 0.00 0.00 177.10 173.41 3kir n PRO 228 N -1.09 -0.06 -0.19 -0.60 -0.02 -1.26 0.56 135.00 132.34 3kir n PRO 228 Ca -0.04 1.30 -0.04 0.00 -2.02 0.00 0.00 63.50 62.70 3kir n PRO 228 Cb 0.61 -2.32 0.13 0.00 -0.02 0.00 0.00 33.50 31.90 3kir n PRO 228 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kir h VAL 229 N 0.00 1.24 0.06 -1.45 2.07 -1.94 -3.27 116.25 112.97 3kir h VAL 229 Ca 0.79 -0.86 -0.25 0.00 0.82 0.00 0.00 66.70 67.21 3kir h VAL 229 Cb 2.07 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3kir h VAL 229 CO -0.73 0.33 -1.08 0.44 0.02 0.00 0.00 177.57 176.55 3kir h ASP 230 N 0.94 0.47 -5.01 0.57 3.32 -0.26 -3.48 116.42 112.98 3kir h ASP 230 Ca 0.21 -0.43 -0.06 0.00 0.02 0.00 0.00 57.03 56.76 3kir h ASP 230 Cb 0.30 -0.15 -0.18 0.00 0.22 0.00 0.00 39.33 39.52 3kir h ASP 230 CO -0.01 1.27 0.09 -2.28 -1.72 0.00 0.00 179.24 176.60 3kir s HIS 231 N -2.98 -0.52 0.36 4.55 2.46 -0.98 -4.90 115.29 113.28 3kir s HIS 231 Ca -0.05 0.75 0.07 0.00 0.47 0.00 0.00 55.06 56.30 3kir s HIS 231 Cb 0.08 0.36 0.69 0.00 -0.13 0.00 0.00 32.58 33.58 3kir s HIS 231 CO 0.87 -0.62 1.89 -1.00 -2.47 0.00 0.00 174.74 173.42 3kir h PRO 232 N 2.94 0.37 0.00 2.88 0.13 -1.81 -2.33 132.00 134.18 3kir h PRO 232 Ca -0.29 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 3kir h PRO 232 Cb 1.18 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3kir h PRO 232 CO 0.40 0.47 -0.09 0.45 -0.23 0.00 0.00 178.00 178.99 3kir h HIS 233 N 0.35 0.00 -3.08 1.56 3.86 -1.90 -3.46 115.15 112.49 3kir h HIS 233 Ca 0.07 0.00 -0.43 0.00 -1.16 0.00 0.00 60.37 58.85 3kir h HIS 233 Cb 0.37 0.00 0.22 0.00 1.06 0.00 0.00 27.41 29.06 3kir h HIS 233 CO 0.01 0.09 -0.11 0.41 0.86 0.00 0.00 177.93 179.19 3kir n GLY 234 N 0.34 -2.16 3.90 2.45 0.00 -0.88 -4.20 105.19 104.64 3kir n GLY 234 Ca 0.01 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3kir n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kir n GLY 235 N 1.14 -1.84 0.40 -0.02 0.00 -0.42 -4.05 105.19 100.39 3kir n GLY 235 Ca 0.02 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.36 3kir n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kir n GLY 236 N 0.00 -3.68 3.65 -0.02 0.00 -1.26 -4.88 105.19 99.00 3kir n GLY 236 Ca 0.00 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 3kir n GLY 236 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kir s GLU 237 N -3.46 4.06 -0.49 1.61 0.41 -1.26 -4.38 118.70 115.19 3kir s GLU 237 Ca 0.00 1.78 -0.11 0.00 -0.41 0.00 0.00 54.97 56.22 3kir s GLU 237 Cb 0.00 -3.92 0.01 0.00 -1.78 0.00 0.00 34.13 28.44 3kir s GLU 237 CO 0.00 -0.96 0.60 0.41 -0.49 0.00 0.00 175.26 174.82 3kir n GLY 238 N 4.14 -1.27 1.86 -1.39 0.00 -1.26 -4.85 105.19 102.42 3kir n GLY 238 Ca 0.16 1.01 0.00 0.00 0.00 0.00 0.00 46.02 47.20 3kir n GLY 238 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kir n ARG 239 N -0.68 -4.81 -3.84 1.61 3.00 -1.26 -5.07 116.66 105.62 3kir n ARG 239 Ca 0.08 3.49 -0.07 0.00 -0.00 0.00 0.00 57.85 61.35 3kir n ARG 239 Cb 0.46 -3.91 -0.01 0.00 0.00 0.00 0.00 32.46 29.01 3kir n ARG 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kir s ALA 240 N -2.19 -1.13 -1.02 5.13 0.00 -1.26 -5.08 121.76 116.20 3kir s ALA 240 Ca 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 51.96 51.51 3kir s ALA 240 Cb 0.00 0.78 0.28 0.00 0.00 0.00 0.00 23.12 24.17 3kir s ALA 240 CO 0.00 -1.03 1.16 -0.35 0.00 0.00 0.00 175.76 175.54 3kir n PRO 241 N -0.49 3.63 0.00 0.00 -0.04 -1.26 -4.97 135.00 131.87 3kir n PRO 241 Ca -0.05 -4.52 0.00 0.00 -0.04 0.00 0.00 63.50 58.89 3kir n PRO 241 Cb 0.59 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 3kir n PRO 241 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kir n ARG 242 N 1.95 0.00 0.00 0.54 3.00 -1.26 -4.12 116.66 116.77 3kir n ARG 242 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.09 3kir n ARG 242 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.83 3kir n ARG 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kir n GLY 243 N 0.00 -0.54 0.53 -0.13 0.00 -1.26 -4.89 105.19 98.90 3kir n GLY 243 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kir n GLY 243 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kir n ARG 244 N 0.00 -1.48 -4.97 1.61 0.63 -1.26 -5.07 116.66 106.12 3kir n ARG 244 Ca 0.00 1.07 -0.27 0.00 -0.92 0.00 0.00 57.85 57.73 3kir n ARG 244 Cb 0.00 -1.18 -0.16 0.00 0.45 0.00 0.00 32.46 31.57 3kir n ARG 244 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3kir s PRO 245 N -3.60 1.66 -0.08 -0.14 0.04 -1.26 -5.01 135.00 126.61 3kir s PRO 245 Ca 0.00 -0.71 -0.07 0.00 0.04 0.00 0.00 61.00 60.26 3kir s PRO 245 Cb 0.00 -1.58 -0.03 0.00 0.04 0.00 0.00 34.50 32.93 3kir s PRO 245 CO 0.00 0.41 0.28 -2.30 0.04 0.00 0.00 177.00 175.42 3kir n PRO 246 N 2.66 0.00 -4.39 0.56 -0.02 -1.26 -4.81 135.00 127.74 3kir n PRO 246 Ca -0.15 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.13 3kir n PRO 246 Cb 0.53 -0.23 -0.10 0.00 -0.02 0.00 0.00 33.50 33.68 3kir n PRO 246 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kir s ALA 247 N 0.64 2.10 0.48 3.55 0.00 -1.26 -0.99 121.76 126.27 3kir s ALA 247 Ca 0.17 -1.96 0.08 0.00 0.00 0.00 0.00 51.96 50.25 3kir s ALA 247 Cb -0.23 0.84 0.04 0.00 0.00 0.00 0.00 23.12 23.76 3kir s ALA 247 CO 0.12 -0.38 0.65 -1.54 0.00 0.00 0.00 175.76 174.61 3kir s SER 248 N -3.41 5.45 0.56 0.00 1.04 -0.16 -4.74 113.70 112.44 3kir s SER 248 Ca 0.37 -0.51 0.37 0.00 0.48 0.00 0.00 55.95 56.66 3kir s SER 248 Cb 0.08 -0.40 2.00 0.00 0.10 0.00 0.00 66.02 67.80 3kir s SER 248 CO 0.15 -0.97 2.14 1.55 0.98 0.00 0.00 173.24 177.09 3kir h PRO 249 N 0.45 0.00 -0.01 4.02 0.13 -1.90 -2.04 132.00 132.65 3kir h PRO 249 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3kir h PRO 249 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3kir h PRO 249 CO 0.44 0.00 -0.35 0.91 -0.23 0.00 0.00 178.00 178.78 3kir n TRP 250 N -2.83 0.00 0.00 1.56 8.01 -1.26 -4.60 117.44 118.31 3kir n TRP 250 Ca -0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.17 3kir n TRP 250 Cb 0.08 -0.12 0.00 0.00 -2.01 0.00 0.00 31.31 29.25 3kir n TRP 250 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kir n GLY 251 N 1.38 2.35 3.82 6.99 0.00 -0.77 -5.09 105.19 113.87 3kir n GLY 251 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3kir n GLY 251 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3kir s TRP 252 N -2.25 3.29 0.47 1.61 1.48 -1.26 -4.72 118.94 117.56 3kir s TRP 252 Ca 0.00 1.61 -0.23 0.00 -1.06 0.00 0.00 56.10 56.42 3kir s TRP 252 Cb 0.00 -2.87 -0.07 0.00 -1.16 0.00 0.00 33.47 29.36 3kir s TRP 252 CO 0.00 -0.17 1.24 -0.65 -4.06 0.00 0.00 176.95 173.31 3kir s GLN 253 N -3.14 3.67 0.00 3.25 -0.21 -1.26 -0.99 119.66 120.98 3kir s GLN 253 Ca 0.62 1.96 0.03 0.00 0.02 0.00 0.00 55.36 57.99 3kir s GLN 253 Cb -0.10 -2.45 0.01 0.00 1.00 0.00 0.00 33.01 31.47 3kir s GLN 253 CO 0.14 -0.68 0.52 -2.37 -2.12 0.00 0.00 175.29 170.78 3kir n THR 254 N -0.47 0.00 -3.70 -0.19 5.66 -0.16 -4.63 114.28 110.79 3kir n THR 254 Ca 0.07 -0.49 -0.36 0.00 -3.05 0.00 0.00 64.05 60.22 3kir n THR 254 Cb 0.46 1.05 -0.09 0.00 -1.55 0.00 0.00 70.33 70.20 3kir n THR 254 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3kir s LYS 255 N -0.38 2.73 0.00 1.09 -0.14 -1.26 -4.82 119.74 116.96 3kir s LYS 255 Ca 0.03 -2.72 0.00 0.00 -1.36 0.00 0.00 55.97 51.91 3kir s LYS 255 Cb 0.02 -3.78 0.00 0.00 -1.68 0.00 0.00 37.83 32.40 3kir s LYS 255 CO 0.05 -1.20 0.00 0.41 -0.76 0.00 0.00 175.35 173.85 3kir n GLY 256 N 3.18 3.05 3.50 -3.33 0.00 -1.26 -5.06 105.19 105.28 3kir n GLY 256 Ca 0.11 -0.94 -0.53 0.00 0.00 0.00 0.00 46.02 44.66 3kir n GLY 256 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kir n LEU 257 N 0.00 2.12 -4.77 0.99 0.00 -1.26 -4.91 117.00 109.17 3kir n LEU 257 Ca 0.00 0.63 -0.39 0.00 0.00 0.00 0.00 56.01 56.24 3kir n LEU 257 Cb 0.00 -1.20 -0.01 0.00 0.00 0.00 0.00 43.42 42.21 3kir n LEU 257 CO 0.00 -0.63 0.94 -0.54 0.00 0.00 0.00 177.39 177.16 3kir s LYS 258 N 5.46 3.94 -0.01 1.96 1.02 -1.26 -4.98 119.74 125.87 3kir s LYS 258 Ca 1.07 2.09 0.05 0.00 0.02 0.00 0.00 55.97 59.20 3kir s LYS 258 Cb -0.97 -2.71 -0.07 0.00 -0.52 0.00 0.00 37.83 33.56 3kir s LYS 258 CO 0.55 -0.50 0.09 -2.37 -0.92 0.00 0.00 175.35 172.20 3kir n THR 259 N 0.04 0.06 -1.85 2.17 5.66 -1.26 -5.06 114.28 114.04 3kir n THR 259 Ca 0.04 -0.13 -0.39 0.00 -3.05 0.00 0.00 64.05 60.52 3kir n THR 259 Cb 0.44 0.16 0.02 0.00 -1.55 0.00 0.00 70.33 69.41 3kir n THR 259 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kir s ARG 260 N -2.30 3.54 -0.11 1.09 1.70 -1.26 -4.86 118.95 116.74 3kir s ARG 260 Ca -0.02 2.29 -0.36 0.00 -0.47 0.00 0.00 55.73 57.16 3kir s ARG 260 Cb 0.03 -2.52 -0.14 0.00 -0.57 0.00 0.00 34.95 31.75 3kir s ARG 260 CO 0.20 -0.89 1.76 1.17 -1.08 0.00 0.00 175.30 176.47 3kir n LYS 261 N -0.45 1.75 0.28 3.89 4.81 -1.26 -4.91 118.16 122.26 3kir n LYS 261 Ca 0.07 0.64 -0.14 0.00 -0.87 0.00 0.00 58.31 58.01 3kir n LYS 261 Cb 0.43 -2.41 -0.07 0.00 0.02 0.00 0.00 35.03 33.01 3kir n LYS 261 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3kir h ARG 262 N 7.83 -0.79 -0.13 1.64 2.43 -2.00 -3.07 114.38 120.28 3kir h ARG 262 Ca -0.47 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 3kir h ARG 262 Cb 1.29 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 31.02 3kir h ARG 262 CO 0.93 -0.53 0.00 0.54 -1.51 0.00 0.00 179.97 179.40 3kir n ARG 263 N -4.60 0.79 -1.67 0.20 1.74 -1.26 -4.91 116.66 106.95 3kir n ARG 263 Ca -0.10 0.00 -0.47 0.00 -0.77 0.00 0.00 57.85 56.51 3kir n ARG 263 Cb 0.35 -1.07 -0.04 0.00 -1.02 0.00 0.00 32.46 30.68 3kir n ARG 263 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3kir n LYS 264 N -0.40 2.10 0.13 5.56 4.81 -1.16 -4.85 118.16 124.35 3kir n LYS 264 Ca 0.00 0.76 0.04 0.00 -0.87 0.00 0.00 58.31 58.23 3kir n LYS 264 Cb 0.03 -2.53 0.44 0.00 0.02 0.00 0.00 35.03 32.98 3kir n LYS 264 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3kir h PRO 265 N 6.43 0.22 0.00 1.64 0.13 -1.93 -2.82 132.00 135.67 3kir h PRO 265 Ca -0.46 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3kir h PRO 265 Cb 1.26 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3kir h PRO 265 CO 0.89 0.31 0.52 1.03 -0.23 0.00 0.00 178.00 180.52 3kir h SER 266 N 0.21 0.00 0.00 1.44 0.87 -1.98 -3.36 113.55 110.72 3kir h SER 266 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3kir h SER 266 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 3kir h SER 266 CO 0.01 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.11 3kir n SER 267 N -2.42 0.00 -0.87 6.23 7.64 -1.07 -4.00 113.62 119.13 3kir n SER 267 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3kir n SER 267 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 3kir n SER 267 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3kir n ARG 268 N 0.00 -0.92 0.00 1.43 1.74 -1.26 -3.98 116.66 113.67 3kir n ARG 268 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kir n ARG 268 Cb 0.00 -3.03 0.00 0.00 -1.02 0.00 0.00 32.46 28.41 3kir n ARG 268 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3kir n PHE 269 N -0.86 0.00 -4.55 -1.55 3.72 -1.26 -5.01 117.46 107.95 3kir n PHE 269 Ca 0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.09 3kir n PHE 269 Cb 0.04 0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.54 3kir n PHE 269 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3kir s ILE 270 N 0.00 1.30 0.00 4.37 -5.25 -1.26 0.53 121.20 120.89 3kir s ILE 270 Ca 0.00 -1.88 0.00 0.00 -0.99 0.00 0.00 60.65 57.78 3kir s ILE 270 Cb 0.00 -2.18 0.00 0.00 2.95 0.00 0.00 42.46 43.23 3kir s ILE 270 CO 0.00 0.00 0.00 2.30 -1.79 0.00 0.00 174.94 175.45 3kir n ILE 271 N -1.38 0.00 0.00 8.37 -5.35 -0.66 -4.93 119.36 115.42 3kir n ILE 271 Ca -0.15 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 3kir n ILE 271 Cb 0.66 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 3kir n ILE 271 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79