#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir n LEU 3 N 0.00 0.00 -3.47 2.45 7.94 -1.26 -5.08 117.00 117.59 3kir n LEU 3 Ca 0.00 -0.48 0.01 0.00 -1.11 0.00 0.00 56.01 54.43 3kir n LEU 3 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 3kir n LEU 3 CO 0.00 0.50 0.61 1.51 -1.11 0.00 0.00 177.39 178.90 3kir s ASP 4 N 0.00 -0.59 0.46 1.96 -4.77 -1.26 -5.05 116.67 107.42 3kir s ASP 4 Ca 0.00 0.83 0.02 0.00 -3.30 0.00 0.00 52.55 50.10 3kir s ASP 4 Cb 0.00 1.59 -0.01 0.00 -1.09 0.00 0.00 42.92 43.41 3kir s ASP 4 CO 0.00 -0.12 0.08 0.52 0.70 0.00 0.00 175.17 176.35 3kir n VAL 5 N 4.72 0.00 0.00 2.11 0.31 -1.26 -4.93 118.33 119.28 3kir n VAL 5 Ca -0.11 -2.40 0.00 0.00 -0.01 0.00 0.00 64.34 61.81 3kir n VAL 5 Cb 0.53 0.68 0.00 0.00 -0.91 0.00 0.00 33.84 34.14 3kir n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kir n ALA 6 N -1.21 -0.03 -0.03 3.52 0.00 -1.26 -0.02 120.51 121.49 3kir n ALA 6 Ca -0.18 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.50 3kir n ALA 6 Cb 0.63 0.14 0.71 0.00 0.00 0.00 0.00 19.45 20.92 3kir n ALA 6 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kir h LEU 7 N 0.00 0.00 0.00 0.00 3.38 -1.92 1.46 115.31 118.23 3kir h LEU 7 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kir h LEU 7 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kir h LEU 7 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.70 3kir n LYS 8 N -3.81 0.00 -0.03 1.13 3.00 -0.58 -3.15 118.16 114.72 3kir n LYS 8 Ca 0.13 0.50 -0.16 0.00 -0.00 0.00 0.00 58.31 58.78 3kir n LYS 8 Cb 0.84 -1.49 -0.09 0.00 0.00 0.00 0.00 35.03 34.29 3kir n LYS 8 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 3kir h ARG 9 N 0.00 0.42 -1.99 1.64 2.43 0.09 -3.24 114.38 113.73 3kir h ARG 9 Ca 0.00 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3kir h ARG 9 Cb 0.00 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3kir h ARG 9 CO 0.00 0.99 0.00 1.63 -1.51 0.00 0.00 179.97 181.08 3kir n LYS 10 N -4.32 0.44 0.00 0.20 5.02 0.50 -1.60 118.16 118.39 3kir n LYS 10 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3kir n LYS 10 Cb 0.56 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 3kir n LYS 10 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3kir n TYR 11 N 1.75 0.00 0.04 2.13 9.36 -1.19 -4.62 117.16 124.63 3kir n TYR 11 Ca 0.00 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.13 3kir n TYR 11 Cb 0.22 0.14 0.06 0.00 -0.63 0.00 0.00 39.34 39.12 3kir n TYR 11 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 3kir h TYR 12 N 0.00 0.54 -1.57 2.98 -1.99 -1.46 0.14 116.97 115.61 3kir h TYR 12 Ca 0.00 -0.22 -0.69 0.00 2.00 0.00 0.00 58.73 59.82 3kir h TYR 12 Cb 0.52 -0.09 -0.32 0.00 2.00 0.00 0.00 36.73 38.83 3kir h TYR 12 CO 0.00 0.95 0.46 -0.85 -0.00 0.00 0.00 178.16 178.72 3kir n GLU 13 N -3.88 2.97 0.00 4.88 0.28 -1.22 -4.35 120.64 119.31 3kir n GLU 13 Ca -0.04 -3.75 0.00 0.00 -0.16 0.00 0.00 57.16 53.22 3kir n GLU 13 Cb 0.66 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 31.26 3kir n GLU 13 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3kir n GLU 14 N -0.62 0.00 0.03 3.44 1.02 -1.25 -4.99 120.64 118.27 3kir n GLU 14 Ca 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.55 3kir n GLU 14 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.85 3kir n GLU 14 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3kir h VAL 15 N 0.00 0.80 -0.18 2.62 2.07 -1.79 -1.65 116.25 118.12 3kir h VAL 15 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3kir h VAL 15 Cb 0.00 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3kir h VAL 15 CO 0.00 0.00 -0.29 0.03 0.02 0.00 0.00 177.57 177.33 3kir h ARG 16 N -0.12 -0.22 -0.83 1.57 2.47 -0.92 -0.27 114.38 116.06 3kir h ARG 16 Ca 0.04 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.75 3kir h ARG 16 Cb 0.17 0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.50 3kir h ARG 16 CO -0.10 -0.15 0.43 -1.00 0.56 0.00 0.00 179.97 179.71 3kir h PRO 17 N -0.23 1.18 -0.60 0.04 0.13 -1.75 -2.81 132.00 127.96 3kir h PRO 17 Ca 0.03 -0.15 0.11 0.00 -0.87 0.00 0.00 66.00 65.12 3kir h PRO 17 Cb 0.32 -0.22 -0.08 0.00 0.13 0.00 0.00 31.00 31.14 3kir h PRO 17 CO -0.29 0.88 0.15 1.49 -0.23 0.00 0.00 178.00 180.00 3kir h GLU 18 N 1.18 0.29 0.00 0.86 4.57 -0.77 0.44 114.58 121.15 3kir h GLU 18 Ca 0.29 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 3kir h GLU 18 Cb 0.07 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3kir h GLU 18 CO -0.04 0.19 0.00 1.28 -1.18 0.00 0.00 179.01 179.26 3kir n LEU 19 N -5.09 0.00 -0.00 1.64 4.77 -0.16 -0.18 117.00 117.97 3kir n LEU 19 Ca 0.09 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.11 3kir n LEU 19 Cb 0.31 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 3kir n LEU 19 CO 0.19 0.00 -0.26 -0.38 -1.33 0.00 0.00 177.39 175.60 3kir n ILE 20 N -0.97 0.00 0.56 -0.08 5.41 0.14 -3.96 119.36 120.46 3kir n ILE 20 Ca 0.09 -0.25 0.12 0.00 1.00 0.00 0.00 62.75 63.70 3kir n ILE 20 Cb 0.04 0.71 0.11 0.00 -0.71 0.00 0.00 39.64 39.79 3kir n ILE 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 3kir n ARG 21 N -1.48 0.30 -0.06 0.38 0.63 0.74 -1.39 116.66 115.78 3kir n ARG 21 Ca 0.00 0.05 -0.04 0.00 -0.92 0.00 0.00 57.85 56.94 3kir n ARG 21 Cb 0.20 -1.65 -0.12 0.00 0.45 0.00 0.00 32.46 31.34 3kir n ARG 21 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3kir n ARG 22 N -2.06 1.33 0.00 -0.14 0.00 -0.87 -4.71 116.66 110.21 3kir n ARG 22 Ca 0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 3kir n ARG 22 Cb 0.44 -1.39 0.00 0.00 0.00 0.00 0.00 32.46 31.51 3kir n ARG 22 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3kir n PHE 23 N -2.45 0.00 -2.72 -0.14 3.01 -1.25 -5.11 117.46 108.79 3kir n PHE 23 Ca -0.20 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.22 3kir n PHE 23 Cb 0.87 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.35 3kir n PHE 23 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kir n GLY 24 N 2.93 -2.71 3.92 1.37 0.00 -0.49 -5.03 105.19 105.19 3kir n GLY 24 Ca 0.00 0.83 -0.26 0.00 0.00 0.00 0.00 46.02 46.60 3kir n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kir s TYR 25 N -2.06 3.37 -0.60 1.61 2.02 -1.26 -5.01 117.35 115.41 3kir s TYR 25 Ca 0.12 0.57 0.18 0.00 -0.37 0.00 0.00 57.07 57.58 3kir s TYR 25 Cb -0.03 -2.41 -0.23 0.00 -0.40 0.00 0.00 41.96 38.88 3kir s TYR 25 CO 0.74 -0.44 0.67 1.04 -1.57 0.00 0.00 175.55 175.98 3kir n GLN 26 N -2.28 0.82 -3.79 -0.62 1.13 -1.26 -4.92 117.38 106.46 3kir n GLN 26 Ca 0.02 -0.05 -0.14 0.00 -1.94 0.00 0.00 57.00 54.88 3kir n GLN 26 Cb 0.57 -1.39 -0.16 0.00 0.11 0.00 0.00 30.24 29.37 3kir n GLN 26 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3kir s ASN 27 N -3.19 0.05 0.57 1.08 0.01 -1.26 -5.02 114.94 107.18 3kir s ASN 27 Ca 0.03 0.04 0.33 0.00 -0.71 0.00 0.00 52.86 52.54 3kir s ASN 27 Cb 0.13 -0.05 1.75 0.00 0.41 0.00 0.00 41.25 43.49 3kir s ASN 27 CO 0.76 -0.11 2.17 0.58 -1.51 0.00 0.00 177.10 179.00 3kir h VAL 28 N 6.08 0.37 -0.16 1.60 2.07 -1.98 -1.43 116.25 122.79 3kir h VAL 28 Ca -0.42 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 3kir h VAL 28 Cb 1.14 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 3kir h VAL 28 CO 0.48 0.05 0.08 0.79 0.02 0.00 0.00 177.57 178.99 3kir n TRP 29 N -3.50 0.53 -0.63 1.57 5.03 -1.26 -2.25 117.44 116.93 3kir n TRP 29 Ca -0.02 -0.50 0.00 0.00 3.03 0.00 0.00 57.50 60.01 3kir n TRP 29 Cb 0.17 -0.30 0.00 0.00 -1.03 0.00 0.00 31.31 30.15 3kir n TRP 29 CO 0.00 0.00 0.00 -1.91 -0.03 0.00 0.00 177.69 175.75 3kir n GLU 30 N 0.15 0.49 -3.82 -0.99 2.13 -0.54 -5.05 120.64 113.01 3kir n GLU 30 Ca 0.09 -0.59 -0.36 0.00 0.66 0.00 0.00 57.16 56.97 3kir n GLU 30 Cb 0.61 -0.69 -0.06 0.00 0.27 0.00 0.00 31.44 31.58 3kir n GLU 30 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3kir s VAL 31 N -0.22 5.41 0.21 6.31 0.11 -0.96 -5.02 120.40 126.24 3kir s VAL 31 Ca 0.00 0.21 -0.32 0.00 -2.93 0.00 0.00 61.98 58.93 3kir s VAL 31 Cb 0.00 -3.49 -0.13 0.00 -1.53 0.00 0.00 36.38 31.24 3kir s VAL 31 CO 0.00 0.52 1.63 -0.81 -3.33 0.00 0.00 175.10 173.11 3kir n PRO 32 N 1.62 2.49 0.00 1.54 -0.04 -1.26 -4.88 135.00 134.47 3kir n PRO 32 Ca -0.16 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 3kir n PRO 32 Cb 0.54 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 3kir n PRO 32 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kir n ARG 33 N 3.39 3.96 -3.43 0.54 3.00 -1.26 -4.94 116.66 117.91 3kir n ARG 33 Ca 0.15 0.00 -0.27 0.00 -0.01 0.00 0.00 57.85 57.72 3kir n ARG 33 Cb 0.33 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.68 3kir n ARG 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3kir n LEU 34 N 0.00 -0.19 -0.12 0.55 4.32 -1.26 -4.24 117.00 116.06 3kir n LEU 34 Ca 0.00 -4.45 0.27 0.00 -0.02 0.00 0.00 56.01 51.81 3kir n LEU 34 Cb 0.00 0.43 0.72 0.00 -1.62 0.00 0.00 43.42 42.95 3kir n LEU 34 CO 0.00 1.85 1.24 -0.08 -1.22 0.00 0.00 177.39 179.19 3kir h GLU 35 N 5.61 0.00 0.00 3.23 4.81 -1.60 -3.44 114.58 123.18 3kir h GLU 35 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3kir h GLU 35 Cb 0.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.28 3kir h GLU 35 CO 0.40 0.00 0.00 1.17 -0.73 0.00 0.00 179.01 179.85 3kir n LYS 36 N -4.09 0.00 -3.70 1.92 4.81 -1.22 -4.84 118.16 111.05 3kir n LYS 36 Ca 0.16 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.38 3kir n LYS 36 Cb 0.91 0.00 -0.18 0.00 0.02 0.00 0.00 35.03 35.79 3kir n LYS 36 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3kir s VAL 37 N -2.00 0.11 -0.11 3.15 1.01 -0.48 0.28 120.40 122.37 3kir s VAL 37 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.18 3kir s VAL 37 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.97 3kir s VAL 37 CO 0.00 0.12 -0.23 -0.69 0.00 0.00 0.00 175.10 174.30 3kir s VAL 38 N 2.07 1.99 0.32 2.92 1.01 -1.26 -0.85 120.40 126.61 3kir s VAL 38 Ca 0.04 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 3kir s VAL 38 Cb -0.13 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 3kir s VAL 38 CO -0.05 0.54 0.54 0.27 0.00 0.00 0.00 175.10 176.41 3kir s ILE 39 N 0.46 5.09 0.23 2.22 -4.36 -0.80 -1.23 121.20 122.82 3kir s ILE 39 Ca -0.16 -0.27 0.00 0.00 -0.26 0.00 0.00 60.65 59.96 3kir s ILE 39 Cb -0.17 -3.81 -0.03 0.00 1.25 0.00 0.00 42.46 39.69 3kir s ILE 39 CO 0.06 -0.46 0.19 0.21 0.24 0.00 0.00 174.94 175.19 3kir s ASN 40 N -3.68 0.49 0.00 4.36 3.04 0.17 -2.65 114.94 116.66 3kir s ASN 40 Ca 0.41 -1.45 0.00 0.00 0.04 0.00 0.00 52.86 51.86 3kir s ASN 40 Cb -0.10 0.44 0.00 0.00 -1.54 0.00 0.00 41.25 40.05 3kir s ASN 40 CO 0.34 -0.92 0.00 0.00 -3.04 0.00 0.00 177.10 173.48 3kir n GLN 41 N -0.36 0.00 0.00 0.43 6.02 -0.76 -1.88 117.38 120.83 3kir n GLN 41 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3kir n GLN 41 Cb 0.65 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.91 3kir n GLN 41 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kir n GLY 42 N 0.00 2.93 5.00 1.08 0.00 -1.26 -4.81 105.19 108.13 3kir n GLY 42 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3kir n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kir n LEU 43 N 0.00 0.00 -0.69 0.99 7.99 -1.26 -3.11 117.00 120.92 3kir n LEU 43 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3kir n LEU 43 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3kir n LEU 43 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 3kir n GLY 44 N 0.00 0.71 2.89 -0.72 0.00 -1.26 -5.07 105.19 101.75 3kir n GLY 44 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 3kir n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kir s GLU 45 N -2.17 1.66 -0.45 1.61 0.41 -1.26 -4.84 118.70 113.65 3kir s GLU 45 Ca 0.00 -2.27 0.07 0.00 -0.41 0.00 0.00 54.97 52.36 3kir s GLU 45 Cb 0.00 -2.99 0.32 0.00 -1.78 0.00 0.00 34.13 29.67 3kir s GLU 45 CO 0.00 -1.09 1.05 0.00 -0.49 0.00 0.00 175.26 174.74 3kir n ALA 46 N 3.50 -0.51 -2.96 5.21 0.00 -1.26 -4.73 120.51 119.77 3kir n ALA 46 Ca 0.05 -1.68 -0.34 0.00 0.00 0.00 0.00 53.44 51.47 3kir n ALA 46 Cb 0.35 -1.15 -0.12 0.00 0.00 0.00 0.00 19.45 18.53 3kir n ALA 46 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kir s LYS 47 N -0.00 3.70 0.00 0.00 1.02 -1.26 -4.86 119.74 118.33 3kir s LYS 47 Ca 0.25 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.74 3kir s LYS 47 Cb 0.29 -2.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 3kir s LYS 47 CO -0.07 0.22 0.00 0.39 -0.92 0.00 0.00 175.35 174.97 3kir n GLU 48 N 3.60 0.00 0.00 1.68 1.02 -1.26 -4.19 120.64 121.49 3kir n GLU 48 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 3kir n GLU 48 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 3kir n GLU 48 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3kir n ASP 49 N 0.00 0.00 -0.47 1.62 9.92 -1.26 -5.04 116.55 121.32 3kir n ASP 49 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3kir n ASP 49 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3kir n ASP 49 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kir n ALA 50 N 0.00 -0.57 -2.66 2.24 0.00 -1.26 -5.06 120.51 113.20 3kir n ALA 50 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3kir n ALA 50 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3kir n ALA 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kir s ARG 51 N -2.03 4.28 -0.00 0.00 1.81 -1.26 -4.96 118.95 116.79 3kir s ARG 51 Ca 0.00 1.29 -0.00 0.00 -1.72 0.00 0.00 55.73 55.30 3kir s ARG 51 Cb 0.00 -3.62 -0.00 0.00 -0.45 0.00 0.00 34.95 30.88 3kir s ARG 51 CO 0.00 -0.55 -0.00 -0.89 -0.68 0.00 0.00 175.30 173.18 3kir n ILE 52 N 5.15 0.02 -4.03 1.52 2.08 -1.26 -4.87 119.36 117.97 3kir n ILE 52 Ca 0.10 0.49 -0.38 0.00 0.56 0.00 0.00 62.75 63.53 3kir n ILE 52 Cb 0.47 -1.51 0.00 0.00 -0.75 0.00 0.00 39.64 37.85 3kir n ILE 52 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3kir n LEU 53 N -2.47 -0.17 -0.07 1.39 7.99 -1.26 -4.71 117.00 117.71 3kir n LEU 53 Ca -0.00 -1.09 0.01 0.00 -0.01 0.00 0.00 56.01 54.92 3kir n LEU 53 Cb 0.01 -1.31 0.01 0.00 -0.11 0.00 0.00 43.42 42.02 3kir n LEU 53 CO 0.00 0.65 0.43 -0.62 -1.51 0.00 0.00 177.39 176.34 3kir n GLU 54 N -4.34 1.61 -0.24 3.23 1.02 -1.26 -4.06 120.64 116.61 3kir n GLU 54 Ca -0.11 -1.21 0.10 0.00 -0.02 0.00 0.00 57.16 55.92 3kir n GLU 54 Cb 0.48 -1.03 0.26 0.00 -0.02 0.00 0.00 31.44 31.13 3kir n GLU 54 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3kir n LYS 55 N -0.22 2.29 0.00 3.49 0.00 -1.26 -2.75 118.16 119.72 3kir n LYS 55 Ca 0.01 -1.99 0.00 0.00 0.00 0.00 0.00 58.31 56.33 3kir n LYS 55 Cb 0.19 -1.46 0.00 0.00 0.00 0.00 0.00 35.03 33.76 3kir n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kir n ALA 56 N 1.14 1.93 0.12 3.14 0.00 -1.26 -4.01 120.51 121.57 3kir n ALA 56 Ca 0.19 -0.17 0.10 0.00 0.00 0.00 0.00 53.44 53.55 3kir n ALA 56 Cb 0.49 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.96 3kir n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kir h ALA 57 N 0.00 0.61 0.01 0.00 0.00 -1.73 -2.98 119.26 115.17 3kir h ALA 57 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 54.91 54.38 3kir h ALA 57 Cb 0.02 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 3kir h ALA 57 CO 0.00 0.13 -2.43 0.00 0.00 0.00 0.00 179.25 176.94 3kir n GLN 58 N -2.79 0.62 0.27 0.00 10.64 -1.22 -3.52 117.38 121.38 3kir n GLN 58 Ca -0.00 0.23 0.18 0.00 -1.83 0.00 0.00 57.00 55.58 3kir n GLN 58 Cb 0.59 -1.53 0.97 0.00 -0.86 0.00 0.00 30.24 29.41 3kir n GLN 58 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 3kir h GLU 59 N -0.49 0.00 0.00 2.61 4.81 -1.71 0.52 114.58 120.31 3kir h GLU 59 Ca -0.62 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.34 3kir h GLU 59 Cb 1.75 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.09 3kir h GLU 59 CO -0.24 0.00 -1.68 -0.11 -0.73 0.00 0.00 179.01 176.25 3kir n LEU 60 N -2.76 0.83 0.33 1.64 -0.00 -1.12 -4.17 117.00 111.74 3kir n LEU 60 Ca -0.02 0.39 -0.14 0.00 -0.00 0.00 0.00 56.01 56.23 3kir n LEU 60 Cb 0.06 0.17 -0.07 0.00 -0.00 0.00 0.00 43.42 43.58 3kir n LEU 60 CO 0.16 0.34 0.39 0.00 -0.00 0.00 0.00 177.39 178.29 3kir h ALA 61 N 1.09 -0.88 -0.78 1.96 0.00 -0.05 -3.23 119.26 117.37 3kir h ALA 61 Ca -0.27 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.52 3kir h ALA 61 Cb 1.94 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 19.97 3kir h ALA 61 CO 0.07 -0.84 -0.42 1.28 0.00 0.00 0.00 179.25 179.34 3kir n LEU 62 N -5.37 -0.75 0.00 0.00 4.32 -0.51 0.49 117.00 115.19 3kir n LEU 62 Ca -0.11 1.38 0.05 0.00 -0.02 0.00 0.00 56.01 57.30 3kir n LEU 62 Cb 0.36 -0.21 0.27 0.00 -1.62 0.00 0.00 43.42 42.22 3kir n LEU 62 CO 0.28 -1.15 0.51 2.30 -1.22 0.00 0.00 177.39 178.11 3kir n ILE 63 N -5.02 0.07 0.00 -0.08 -5.35 -1.24 -2.73 119.36 105.02 3kir n ILE 63 Ca 0.03 0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 3kir n ILE 63 Cb 0.23 -0.87 0.00 0.00 -1.74 0.00 0.00 39.64 37.26 3kir n ILE 63 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 3kir n THR 64 N -1.03 0.00 -0.94 7.28 5.66 0.43 -4.90 114.28 120.78 3kir n THR 64 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 3kir n THR 64 Cb 0.04 -0.09 0.00 0.00 -1.55 0.00 0.00 70.33 68.72 3kir n THR 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3kir n GLY 65 N 0.91 0.81 3.33 1.09 0.00 1.80 -4.92 105.19 108.22 3kir n GLY 65 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3kir n GLY 65 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kir s GLN 66 N -0.06 1.87 -0.18 1.61 0.74 -1.17 -4.94 119.66 117.53 3kir s GLN 66 Ca 0.00 -1.05 -0.24 0.00 0.05 0.00 0.00 55.36 54.13 3kir s GLN 66 Cb 0.00 -1.97 -0.02 0.00 1.10 0.00 0.00 33.01 32.12 3kir s GLN 66 CO 0.00 0.52 0.76 0.15 -0.55 0.00 0.00 175.29 176.17 3kir s LYS 67 N -1.04 4.27 0.80 1.67 3.01 -1.26 -3.68 119.74 123.51 3kir s LYS 67 Ca 0.11 0.88 -0.12 0.00 -1.01 0.00 0.00 55.97 55.83 3kir s LYS 67 Cb -0.10 -3.57 0.08 0.00 -1.01 0.00 0.00 37.83 33.23 3kir s LYS 67 CO 0.01 -0.29 1.17 -1.25 0.51 0.00 0.00 175.35 175.51 3kir s PRO 68 N 2.03 2.01 0.01 -1.68 0.04 -1.26 -4.95 135.00 131.21 3kir s PRO 68 Ca 0.35 0.14 -0.01 0.00 0.04 0.00 0.00 61.00 61.52 3kir s PRO 68 Cb -0.16 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 3kir s PRO 68 CO 0.12 -1.57 0.12 0.00 0.04 0.00 0.00 177.00 175.71 3kir s ALA 69 N -3.56 3.71 -0.23 8.56 0.00 0.54 -4.93 121.76 125.86 3kir s ALA 69 Ca 0.62 -0.86 -0.22 0.00 0.00 0.00 0.00 51.96 51.50 3kir s ALA 69 Cb -0.11 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.33 3kir s ALA 69 CO 0.49 0.72 0.69 0.08 0.00 0.00 0.00 175.76 177.74 3kir s VAL 70 N -1.27 4.96 0.18 0.00 1.01 -1.26 -1.19 120.40 122.82 3kir s VAL 70 Ca 0.26 1.28 -0.02 0.00 0.00 0.00 0.00 61.98 63.50 3kir s VAL 70 Cb -0.12 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 3kir s VAL 70 CO 0.17 0.03 0.38 0.28 0.00 0.00 0.00 175.10 175.97 3kir s THR 71 N 2.35 5.19 0.08 3.92 -1.32 0.90 -4.96 115.64 121.80 3kir s THR 71 Ca 0.30 -0.21 0.06 0.00 -1.21 0.00 0.00 61.69 60.63 3kir s THR 71 Cb -0.16 -3.69 -0.03 0.00 -1.51 0.00 0.00 72.50 67.11 3kir s THR 71 CO 0.09 -0.09 -0.16 -0.13 -2.21 0.00 0.00 174.62 172.12 3kir s ARG 72 N -3.07 0.90 0.87 7.08 0.52 -1.26 -2.99 118.95 121.00 3kir s ARG 72 Ca 0.39 -1.02 -0.09 0.00 -0.52 0.00 0.00 55.73 54.49 3kir s ARG 72 Cb -0.11 -0.96 0.19 0.00 0.52 0.00 0.00 34.95 34.59 3kir s ARG 72 CO 0.28 0.21 1.19 0.00 0.02 0.00 0.00 175.30 177.00 3kir n ALA 73 N 1.18 -0.77 0.04 2.13 0.00 -1.26 -4.92 120.51 116.91 3kir n ALA 73 Ca -0.20 -1.84 0.00 0.00 0.00 0.00 0.00 53.44 51.40 3kir n ALA 73 Cb 0.54 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.09 3kir n ALA 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kir n LYS 74 N -3.39 0.00 0.00 0.00 5.02 -1.26 -4.32 118.16 114.21 3kir n LYS 74 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 3kir n LYS 74 Cb 0.59 -0.22 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 3kir n LYS 74 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kir n LYS 75 N -2.98 2.60 -3.40 1.97 4.76 -1.26 -4.09 118.16 115.77 3kir n LYS 75 Ca 0.00 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.46 3kir n LYS 75 Cb 0.14 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.29 3kir n LYS 75 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3kir s SER 76 N -1.67 -0.57 -0.94 4.39 0.01 -1.26 -2.61 113.70 111.04 3kir s SER 76 Ca 0.00 0.78 -0.04 0.00 1.31 0.00 0.00 55.95 58.00 3kir s SER 76 Cb 0.00 1.65 0.11 0.00 0.21 0.00 0.00 66.02 67.99 3kir s SER 76 CO 0.00 -0.11 2.51 -0.38 0.41 0.00 0.00 173.24 175.67 3kir n ILE 77 N 4.98 4.48 0.65 1.44 2.08 -1.03 -4.55 119.36 127.40 3kir n ILE 77 Ca -0.09 -3.87 0.00 0.00 0.56 0.00 0.00 62.75 59.35 3kir n ILE 77 Cb 0.53 -1.83 0.00 0.00 -0.75 0.00 0.00 39.64 37.58 3kir n ILE 77 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3kir n SER 78 N 1.24 0.11 -0.10 4.38 3.41 -1.25 0.12 113.62 121.53 3kir n SER 78 Ca 0.56 -0.76 0.11 0.00 -0.26 0.00 0.00 58.87 58.52 3kir n SER 78 Cb 0.37 -0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.28 3kir n SER 78 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kir n ASN 79 N -0.26 1.07 -2.70 4.04 4.13 -1.26 -4.49 115.26 115.79 3kir n ASN 79 Ca 0.00 -0.92 -0.06 0.00 1.68 0.00 0.00 54.58 55.28 3kir n ASN 79 Cb 0.03 0.69 0.09 0.00 -1.54 0.00 0.00 39.78 39.05 3kir n ASN 79 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3kir n PHE 80 N -1.19 -1.58 -1.43 3.10 -0.00 0.33 -5.16 117.46 111.52 3kir n PHE 80 Ca 0.06 -1.27 0.19 0.00 -0.00 0.00 0.00 57.45 56.42 3kir n PHE 80 Cb 0.36 1.35 -0.05 0.00 -0.00 0.00 0.00 39.48 41.13 3kir n PHE 80 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3kir n LYS 81 N 0.84 -2.92 -1.15 -4.13 5.02 -0.31 -4.86 118.16 110.65 3kir n LYS 81 Ca 0.01 1.98 0.00 0.00 -2.02 0.00 0.00 58.31 58.28 3kir n LYS 81 Cb 0.71 -3.55 0.00 0.00 -0.02 0.00 0.00 35.03 32.18 3kir n LYS 81 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kir n LEU 82 N -4.22 -0.27 0.00 -0.35 4.77 -1.26 -3.76 117.00 111.90 3kir n LEU 82 Ca -0.00 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 3kir n LEU 82 Cb 0.65 -1.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 3kir n LEU 82 CO 0.01 0.02 0.00 0.54 -1.33 0.00 0.00 177.39 176.64 3kir n ARG 83 N -0.71 0.00 0.00 3.23 1.74 -1.26 -2.47 116.66 117.19 3kir n ARG 83 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kir n ARG 83 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3kir n ARG 83 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kir n LYS 84 N 0.00 0.00 0.00 5.56 5.02 -1.07 -4.74 118.16 122.93 3kir n LYS 84 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kir n LYS 84 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3kir n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kir n GLY 85 N 0.00 1.87 4.39 0.72 0.00 -1.26 -4.25 105.19 106.66 3kir n GLY 85 Ca 0.00 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 3kir n GLY 85 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3kir n MET 86 N 0.00 -1.37 0.00 1.61 0.00 -1.26 -4.77 117.12 111.32 3kir n MET 86 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 57.70 57.88 3kir n MET 86 Cb 0.00 -4.45 0.00 0.00 0.00 0.00 0.00 33.22 28.77 3kir n MET 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 3kir n PRO 87 N -4.29 3.59 -4.00 2.12 -0.04 -1.26 -5.01 135.00 126.11 3kir n PRO 87 Ca -0.05 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.06 3kir n PRO 87 Cb 0.54 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.87 3kir n PRO 87 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kir s ILE 88 N 3.20 3.56 0.00 0.52 -1.09 -1.26 -4.79 121.20 121.34 3kir s ILE 88 Ca 0.00 -0.44 0.00 0.00 -2.23 0.00 0.00 60.65 57.98 3kir s ILE 88 Cb 0.00 -2.62 0.00 0.00 -1.58 0.00 0.00 42.46 38.26 3kir s ILE 88 CO 0.00 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 3kir n GLY 89 N 4.58 0.80 3.21 6.18 0.00 -1.16 -4.38 105.19 114.42 3kir n GLY 89 Ca -0.18 0.56 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 3kir n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kir s LEU 90 N 0.00 2.68 0.00 0.99 2.96 -1.26 0.31 118.68 124.36 3kir s LEU 90 Ca 0.00 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.33 3kir s LEU 90 Cb 0.00 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 3kir s LEU 90 CO 0.00 -0.04 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.34 3kir s ARG 91 N 1.37 0.40 -0.12 1.98 3.00 -0.33 -1.83 118.95 123.42 3kir s ARG 91 Ca 0.04 -0.23 -0.07 0.00 -1.00 0.00 0.00 55.73 54.47 3kir s ARG 91 Cb -0.14 -0.36 0.05 0.00 0.00 0.00 0.00 34.95 34.49 3kir s ARG 91 CO -0.07 0.10 0.29 0.54 0.00 0.00 0.00 175.30 176.16 3kir s VAL 92 N -0.25 -0.03 -0.07 7.11 0.11 -1.09 -0.33 120.40 125.84 3kir s VAL 92 Ca 0.01 0.12 -0.15 0.00 -2.93 0.00 0.00 61.98 59.03 3kir s VAL 92 Cb -0.03 -0.45 -0.05 0.00 -1.53 0.00 0.00 36.38 34.33 3kir s VAL 92 CO -0.00 0.05 0.39 -0.89 -3.33 0.00 0.00 175.10 171.31 3kir s THR 93 N 1.21 5.15 -0.18 5.04 2.01 -1.26 -1.90 115.64 125.72 3kir s THR 93 Ca -0.09 0.77 0.01 0.00 0.31 0.00 0.00 61.69 62.69 3kir s THR 93 Cb -0.09 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 68.73 3kir s THR 93 CO -0.09 0.48 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.36 3kir s LEU 94 N -0.31 2.15 -0.07 4.42 1.43 -0.03 -4.98 118.68 121.28 3kir s LEU 94 Ca 0.22 -0.64 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 3kir s LEU 94 Cb -0.15 -1.48 -0.00 0.00 0.03 0.00 0.00 46.19 44.58 3kir s LEU 94 CO 0.10 0.00 -0.22 -0.13 0.23 0.00 0.00 176.35 176.34 3kir s ARG 95 N 1.27 2.49 0.01 1.70 0.52 -1.26 -1.38 118.95 122.29 3kir s ARG 95 Ca 0.04 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 3kir s ARG 95 Cb -0.13 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.34 3kir s ARG 95 CO -0.12 0.24 0.00 2.89 0.02 0.00 0.00 175.30 178.32 3kir n ARG 96 N 3.31 -0.10 0.00 3.54 1.85 -1.26 -4.05 116.66 119.94 3kir n ARG 96 Ca -0.19 0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 3kir n ARG 96 Cb 0.52 -0.22 0.00 0.00 -1.05 0.00 0.00 32.46 31.72 3kir n ARG 96 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3kir n ASP 97 N -4.40 0.00 -0.27 2.89 9.92 -1.26 0.18 116.55 123.61 3kir n ASP 97 Ca 0.00 0.00 0.25 0.00 -0.53 0.00 0.00 54.79 54.51 3kir n ASP 97 Cb 0.51 0.00 0.59 0.00 -0.64 0.00 0.00 41.12 41.57 3kir n ASP 97 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 3kir h ARG 98 N 0.00 0.26 0.71 -1.24 2.47 -1.95 0.76 114.38 115.38 3kir h ARG 98 Ca 0.00 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 3kir h ARG 98 Cb 0.00 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 28.27 3kir h ARG 98 CO 0.00 0.17 -0.35 1.98 0.56 0.00 0.00 179.97 182.33 3kir h MET 99 N 0.27 -0.93 -0.24 0.04 1.85 0.18 -2.55 114.93 113.54 3kir h MET 99 Ca 0.52 0.06 0.02 0.00 -0.61 0.00 0.00 59.70 59.70 3kir h MET 99 Cb 1.56 0.21 -0.02 0.00 0.43 0.00 0.00 31.60 33.78 3kir h MET 99 CO -0.17 -0.62 0.09 -1.49 -0.40 0.00 0.00 176.91 174.32 3kir h TRP 100 N -0.97 0.17 -0.92 1.39 4.06 -1.11 -1.46 115.95 117.10 3kir h TRP 100 Ca -0.10 0.01 0.23 0.00 2.06 0.00 0.00 58.89 61.10 3kir h TRP 100 Cb 0.75 -0.04 -0.13 0.00 -1.00 0.00 0.00 29.16 28.74 3kir h TRP 100 CO -0.04 0.08 0.44 0.82 -3.56 0.00 0.00 178.44 176.19 3kir h ILE 101 N 0.21 0.47 0.18 1.49 2.04 -0.92 0.28 117.51 121.24 3kir h ILE 101 Ca 0.10 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3kir h ILE 101 Cb 0.06 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 3kir h ILE 101 CO -0.10 0.08 -0.08 0.15 0.00 0.00 0.00 178.15 178.20 3kir h PHE 102 N 0.42 -0.22 -0.96 1.37 3.04 -1.08 -3.22 116.94 116.30 3kir h PHE 102 Ca 0.59 -0.01 0.38 0.00 3.98 0.00 0.00 57.97 62.91 3kir h PHE 102 Cb 1.14 0.07 -0.17 0.00 2.56 0.00 0.00 35.95 39.54 3kir h PHE 102 CO -0.11 -0.14 0.42 1.28 -2.02 0.00 0.00 178.31 177.75 3kir n LEU 103 N -4.70 0.25 0.00 0.59 4.77 -0.58 -0.37 117.00 116.96 3kir n LEU 103 Ca -0.03 1.60 0.00 0.00 -0.03 0.00 0.00 56.01 57.55 3kir n LEU 103 Cb 0.09 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 3kir n LEU 103 CO 0.07 -1.76 0.11 1.21 -1.33 0.00 0.00 177.39 175.69 3kir n GLU 104 N -5.22 0.00 -0.31 3.23 4.07 0.94 -1.03 120.64 122.32 3kir n GLU 104 Ca 0.34 0.13 0.17 0.00 -0.06 0.00 0.00 57.16 57.74 3kir n GLU 104 Cb 1.14 -0.71 0.36 0.00 -0.06 0.00 0.00 31.44 32.17 3kir n GLU 104 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3kir h LYS 105 N 0.00 0.23 -0.76 5.31 1.57 -1.34 0.30 116.57 121.89 3kir h LYS 105 Ca 0.00 -0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.92 3kir h LYS 105 Cb 0.00 -0.05 -0.14 0.00 0.08 0.00 0.00 32.23 32.12 3kir h LYS 105 CO 0.00 0.15 -0.15 1.25 -0.57 0.00 0.00 179.45 180.13 3kir h LEU 106 N 0.24 -0.64 -4.46 2.94 5.85 -0.47 0.43 115.31 119.20 3kir h LEU 106 Ca 0.62 0.22 -0.60 0.00 0.84 0.00 0.00 57.88 58.96 3kir h LEU 106 Cb 1.33 0.45 -0.22 0.00 0.37 0.00 0.00 40.66 42.58 3kir h LEU 106 CO -0.65 -0.24 0.72 0.18 -0.34 0.00 0.00 178.44 178.10 3kir n LEU 107 N -5.47 7.06 0.17 2.25 4.77 0.10 -3.08 117.00 122.80 3kir n LEU 107 Ca 0.11 -4.27 0.00 0.00 -0.03 0.00 0.00 56.01 51.82 3kir n LEU 107 Cb 0.41 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 3kir n LEU 107 CO -0.00 1.63 0.00 -3.20 -1.33 0.00 0.00 177.39 174.49 3kir n ASN 108 N -0.00 -3.13 -0.03 -1.43 5.15 0.76 -4.97 115.26 111.62 3kir n ASN 108 Ca 0.51 0.69 0.06 0.00 -0.60 0.00 0.00 54.58 55.23 3kir n ASN 108 Cb 0.46 3.03 -0.16 0.00 -0.53 0.00 0.00 39.78 42.58 3kir n ASN 108 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3kir n VAL 109 N -3.20 0.37 0.00 3.44 0.31 0.12 -4.47 118.33 114.91 3kir n VAL 109 Ca 0.00 -0.59 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 3kir n VAL 109 Cb 0.00 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 3kir n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kir n ALA 110 N -2.38 0.00 -0.04 3.52 0.00 -0.75 -4.09 120.51 116.76 3kir n ALA 110 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.33 3kir n ALA 110 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.17 3kir n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kir n LEU 111 N 0.00 -0.07 -0.00 0.00 4.77 -1.18 -1.16 117.00 119.36 3kir n LEU 111 Ca 0.00 0.18 -0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3kir n LEU 111 Cb 0.00 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3kir n LEU 111 CO 0.00 -0.17 0.03 -2.65 -1.33 0.00 0.00 177.39 173.28 3kir n PRO 112 N -4.16 -0.00 -3.10 3.23 -0.02 -1.26 -2.58 135.00 127.12 3kir n PRO 112 Ca 0.01 0.07 -0.45 0.00 -2.02 0.00 0.00 63.50 61.11 3kir n PRO 112 Cb 0.04 -0.10 -0.04 0.00 -0.02 0.00 0.00 33.50 33.38 3kir n PRO 112 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kir s ARG 113 N -3.35 3.14 -0.44 -0.52 1.81 -0.31 -4.88 118.95 114.39 3kir s ARG 113 Ca -0.00 -1.42 0.07 0.00 -1.72 0.00 0.00 55.73 52.66 3kir s ARG 113 Cb 0.00 -4.34 0.27 0.00 -0.45 0.00 0.00 34.95 30.43 3kir s ARG 113 CO 0.01 -1.56 0.80 -0.89 -0.68 0.00 0.00 175.30 172.97 3kir n ILE 114 N 5.45 -0.22 0.00 1.52 5.41 -1.06 -4.78 119.36 125.67 3kir n ILE 114 Ca -0.05 -2.55 0.00 0.00 1.00 0.00 0.00 62.75 61.16 3kir n ILE 114 Cb 0.43 0.30 0.00 0.00 -0.71 0.00 0.00 39.64 39.67 3kir n ILE 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3kir n ARG 115 N 1.25 0.00 -0.11 0.38 1.74 -1.26 -1.82 116.66 116.83 3kir n ARG 115 Ca 0.14 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.99 3kir n ARG 115 Cb 0.61 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.94 3kir n ARG 115 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3kir n ASP 116 N 8.67 1.98 -0.26 0.55 8.00 -1.26 -5.08 116.55 129.15 3kir n ASP 116 Ca 0.00 0.12 0.02 0.00 0.71 0.00 0.00 54.79 55.63 3kir n ASP 116 Cb 0.00 -0.66 -0.00 0.00 -0.02 0.00 0.00 41.12 40.44 3kir n ASP 116 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3kir n PHE 117 N -3.71 -1.62 0.00 1.24 7.35 -0.76 -4.95 117.46 115.01 3kir n PHE 117 Ca -0.45 0.14 0.00 0.00 -0.76 0.00 0.00 57.45 56.38 3kir n PHE 117 Cb 0.94 -0.21 0.00 0.00 0.35 0.00 0.00 39.48 40.55 3kir n PHE 117 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3kir n ARG 118 N -0.76 0.00 -0.36 -4.13 0.63 -1.26 -5.12 116.66 105.66 3kir n ARG 118 Ca 0.00 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.98 3kir n ARG 118 Cb 0.05 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.94 3kir n ARG 118 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kir n GLY 119 N 0.00 -2.33 3.80 5.14 0.00 -1.26 -3.27 105.19 107.27 3kir n GLY 119 Ca 0.00 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 3kir n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kir s LEU 120 N -5.35 3.34 0.52 0.99 1.43 0.52 -4.35 118.68 115.78 3kir s LEU 120 Ca 0.00 1.78 -0.22 0.00 -1.03 0.00 0.00 54.13 54.67 3kir s LEU 120 Cb 0.00 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.63 3kir s LEU 120 CO 0.00 -1.38 1.11 -3.20 0.23 0.00 0.00 176.35 173.11 3kir n ASN 121 N -2.51 1.59 0.00 2.29 2.85 -1.26 -0.84 115.26 117.38 3kir n ASN 121 Ca 0.09 0.95 0.00 0.00 -0.11 0.00 0.00 54.58 55.50 3kir n ASN 121 Cb 0.53 -1.44 0.00 0.00 1.24 0.00 0.00 39.78 40.11 3kir n ASN 121 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3kir n PRO 122 N -0.55 0.00 -2.05 1.20 -0.04 -1.26 -4.56 135.00 127.75 3kir n PRO 122 Ca 0.11 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.14 3kir n PRO 122 Cb 0.43 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.87 3kir n PRO 122 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kir s ASN 123 N -2.37 6.50 0.00 3.54 2.20 -1.26 -4.74 114.94 118.80 3kir s ASN 123 Ca 0.00 1.94 0.02 0.00 -0.94 0.00 0.00 52.86 53.89 3kir s ASN 123 Cb 0.00 -2.53 0.04 0.00 -2.00 0.00 0.00 41.25 36.76 3kir s ASN 123 CO 0.00 -1.11 0.86 -1.20 -2.94 0.00 0.00 177.10 172.71 3kir n SER 124 N 7.87 0.04 -0.05 3.54 7.64 -1.26 -4.79 113.62 126.60 3kir n SER 124 Ca 0.18 -1.68 -0.12 0.00 1.01 0.00 0.00 58.87 58.26 3kir n SER 124 Cb 0.44 -0.12 -0.04 0.00 -1.01 0.00 0.00 64.21 63.48 3kir n SER 124 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3kir n PHE 125 N 0.04 0.00 -2.06 1.43 3.01 -1.26 -3.67 117.46 114.95 3kir n PHE 125 Ca -0.01 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.45 3kir n PHE 125 Cb 0.68 -0.40 -0.00 0.00 -0.01 0.00 0.00 39.48 39.75 3kir n PHE 125 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3kir n ASP 126 N -3.53 -0.48 0.00 4.37 9.92 -1.26 -3.52 116.55 122.05 3kir n ASP 126 Ca -0.22 1.00 0.00 0.00 -0.53 0.00 0.00 54.79 55.05 3kir n ASP 126 Cb 0.64 -1.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 3kir n ASP 126 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kir n GLY 127 N 2.03 -0.31 3.62 0.44 0.00 -1.26 -4.62 105.19 105.09 3kir n GLY 127 Ca -0.00 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3kir n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kir s ARG 128 N 0.00 3.49 0.96 1.61 1.81 -1.23 -3.28 118.95 122.31 3kir s ARG 128 Ca 0.00 1.95 -0.13 0.00 -1.72 0.00 0.00 55.73 55.83 3kir s ARG 128 Cb 0.00 -4.23 0.13 0.00 -0.45 0.00 0.00 34.95 30.40 3kir s ARG 128 CO 0.00 -1.68 0.19 0.41 -0.68 0.00 0.00 175.30 173.54 3kir n GLY 129 N 5.25 -2.36 0.03 -3.53 0.00 -1.23 -4.69 105.19 98.66 3kir n GLY 129 Ca 0.24 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3kir n GLY 129 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kir n ASN 130 N -0.67 -0.18 -4.17 1.61 3.02 -1.26 -4.92 115.26 108.69 3kir n ASN 130 Ca 0.05 0.03 -0.10 0.00 -0.03 0.00 0.00 54.58 54.52 3kir n ASN 130 Cb 0.35 -0.10 -0.10 0.00 -0.61 0.00 0.00 39.78 39.31 3kir n ASN 130 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3kir s TYR 131 N -2.48 0.94 0.10 3.10 5.04 -1.12 -4.19 117.35 118.74 3kir s TYR 131 Ca 0.00 -1.22 -0.18 0.00 -2.44 0.00 0.00 57.07 53.23 3kir s TYR 131 Cb 0.00 -0.52 0.04 0.00 0.35 0.00 0.00 41.96 41.83 3kir s TYR 131 CO 0.00 -0.49 0.42 -0.80 -1.34 0.00 0.00 175.55 173.34 3kir s ASN 132 N -3.08 -0.28 -0.09 4.32 0.01 -1.24 -2.92 114.94 111.65 3kir s ASN 132 Ca 0.26 -0.17 -0.31 0.00 -0.71 0.00 0.00 52.86 51.92 3kir s ASN 132 Cb 0.07 0.47 0.12 0.00 0.41 0.00 0.00 41.25 42.32 3kir s ASN 132 CO 0.03 -0.80 1.02 -1.48 -1.51 0.00 0.00 177.10 174.37 3kir s LEU 133 N -2.52 -0.28 0.10 0.60 0.05 -1.08 -4.93 118.68 110.61 3kir s LEU 133 Ca -0.00 0.05 0.05 0.00 0.05 0.00 0.00 54.13 54.28 3kir s LEU 133 Cb 0.01 1.76 -0.03 0.00 -2.05 0.00 0.00 46.19 45.88 3kir s LEU 133 CO -0.09 -0.44 -0.13 -0.83 -0.55 0.00 0.00 176.35 174.31 3kir s GLY 134 N -2.18 0.94 -0.13 -3.48 0.00 -1.26 -0.92 107.32 100.29 3kir s GLY 134 Ca 0.06 -1.16 -0.00 0.00 0.00 0.00 0.00 44.72 43.62 3kir s GLY 134 CO -0.06 -1.21 -0.13 1.08 0.00 0.00 0.00 173.10 172.78 3kir s LEU 135 N -2.18 2.73 0.14 0.66 1.02 -0.61 -4.96 118.68 115.47 3kir s LEU 135 Ca 0.04 -0.32 0.01 0.00 0.02 0.00 0.00 54.13 53.88 3kir s LEU 135 Cb -0.06 -1.61 -0.10 0.00 0.02 0.00 0.00 46.19 44.43 3kir s LEU 135 CO 0.02 0.17 1.31 0.03 0.02 0.00 0.00 176.35 177.89 3kir h ARG 136 N 6.69 0.20 -6.23 1.70 3.08 -1.90 -2.94 114.38 114.97 3kir h ARG 136 Ca -0.26 -0.26 -0.67 0.00 0.07 0.00 0.00 59.98 58.87 3kir h ARG 136 Cb 1.21 0.08 -0.15 0.00 0.08 0.00 0.00 29.97 31.20 3kir h ARG 136 CO 0.56 1.03 -0.67 -1.21 -1.07 0.00 0.00 179.97 178.61 3kir s GLU 137 N -3.02 2.66 -0.07 0.04 2.02 -1.24 -4.30 118.70 114.79 3kir s GLU 137 Ca -0.03 -0.69 0.21 0.00 0.02 0.00 0.00 54.97 54.48 3kir s GLU 137 Cb 0.09 -2.59 -0.29 0.00 0.10 0.00 0.00 34.13 31.44 3kir s GLU 137 CO 0.84 0.60 0.39 0.00 0.02 0.00 0.00 175.26 177.11 3kir n GLN 138 N 1.32 0.67 0.05 1.61 10.64 -1.24 -4.45 117.38 125.97 3kir n GLN 138 Ca -0.14 -0.12 0.11 0.00 -1.83 0.00 0.00 57.00 55.03 3kir n GLN 138 Cb 0.52 -1.54 0.47 0.00 -0.86 0.00 0.00 30.24 28.83 3kir n GLN 138 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 3kir n LEU 139 N -2.45 0.30 0.02 2.61 -0.00 -1.26 -3.53 117.00 112.70 3kir n LEU 139 Ca -0.13 0.55 0.01 0.00 -0.00 0.00 0.00 56.01 56.44 3kir n LEU 139 Cb 0.76 -0.48 0.08 0.00 -0.00 0.00 0.00 43.42 43.78 3kir n LEU 139 CO 0.45 -0.21 0.55 2.30 -0.00 0.00 0.00 177.39 180.48 3kir n ILE 140 N -1.80 1.60 -2.74 1.47 -6.64 -1.26 -4.65 119.36 105.35 3kir n ILE 140 Ca 0.05 0.54 -0.34 0.00 -1.77 0.00 0.00 62.75 61.23 3kir n ILE 140 Cb 0.29 -1.54 -0.06 0.00 -1.44 0.00 0.00 39.64 36.90 3kir n ILE 140 CO 0.00 0.00 0.00 -0.36 -1.77 0.00 0.00 176.55 174.42 3kir s PHE 141 N -2.96 3.28 0.00 4.28 0.08 -1.23 -4.00 117.98 117.44 3kir s PHE 141 Ca -0.00 1.62 0.00 0.00 0.12 0.00 0.00 56.93 58.67 3kir s PHE 141 Cb 0.01 -2.92 0.00 0.00 -0.57 0.00 0.00 43.02 39.54 3kir s PHE 141 CO 0.03 -0.26 0.42 -0.35 -0.10 0.00 0.00 175.22 174.95 3kir n PRO 142 N -0.55 0.00 -0.48 0.24 -0.04 -1.26 -3.47 135.00 129.43 3kir n PRO 142 Ca 0.07 0.10 0.40 0.00 -0.04 0.00 0.00 63.50 64.02 3kir n PRO 142 Cb 0.53 -0.92 0.66 0.00 -0.04 0.00 0.00 33.50 33.73 3kir n PRO 142 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3kir n GLU 143 N -0.51 -0.03 -2.61 0.54 0.00 -1.26 -4.57 120.64 112.19 3kir n GLU 143 Ca 0.00 1.14 -0.41 0.00 0.00 0.00 0.00 57.16 57.89 3kir n GLU 143 Cb 0.00 -2.31 -0.04 0.00 0.00 0.00 0.00 31.44 29.08 3kir n GLU 143 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 3kir s ILE 144 N -5.07 4.18 0.00 3.84 1.10 -1.23 -4.97 121.20 119.05 3kir s ILE 144 Ca -0.06 1.83 0.00 0.00 -0.51 0.00 0.00 60.65 61.90 3kir s ILE 144 Cb 0.28 -4.17 0.00 0.00 0.15 0.00 0.00 42.46 38.73 3kir s ILE 144 CO 0.78 0.29 0.00 1.07 -2.11 0.00 0.00 174.94 174.97 3kir n THR 145 N 2.64 0.00 0.00 4.00 5.66 -1.26 -4.82 114.28 120.49 3kir n THR 145 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 3kir n THR 145 Cb 0.48 -1.99 0.00 0.00 -1.55 0.00 0.00 70.33 67.27 3kir n THR 145 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kir n TYR 146 N -1.82 0.00 1.08 1.09 9.36 -1.26 -4.63 117.16 120.98 3kir n TYR 146 Ca 0.00 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.34 3kir n TYR 146 Cb 0.00 0.00 0.33 0.00 -0.63 0.00 0.00 39.34 39.04 3kir n TYR 146 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3kir n ASP 147 N -1.41 0.57 0.00 2.98 5.68 -1.26 -3.66 116.55 119.45 3kir n ASP 147 Ca 0.00 -0.35 0.10 0.00 -0.50 0.00 0.00 54.79 54.04 3kir n ASP 147 Cb 0.24 0.15 -0.09 0.00 -1.14 0.00 0.00 41.12 40.28 3kir n ASP 147 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 3kir n MET 148 N -1.28 0.02 -3.01 0.11 1.56 -1.26 -4.85 117.12 108.41 3kir n MET 148 Ca 0.08 -0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 57.07 3kir n MET 148 Cb 0.33 -1.50 -0.05 0.00 2.15 0.00 0.00 33.22 34.15 3kir n MET 148 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 3kir s VAL 149 N -3.01 4.64 -0.10 1.12 0.11 -1.24 -4.89 120.40 117.03 3kir s VAL 149 Ca 0.08 -0.15 -0.16 0.00 -2.93 0.00 0.00 61.98 58.82 3kir s VAL 149 Cb 0.16 -4.42 -0.28 0.00 -1.53 0.00 0.00 36.38 30.31 3kir s VAL 149 CO 0.86 -0.97 0.59 -2.24 -3.33 0.00 0.00 175.10 170.01 3kir h ASP 150 N 9.15 0.41 -3.42 3.54 2.03 -1.90 -3.45 116.42 122.78 3kir h ASP 150 Ca -0.27 -0.87 -0.60 0.00 -0.73 0.00 0.00 57.03 54.56 3kir h ASP 150 Cb 1.08 -0.13 -0.39 0.00 -0.83 0.00 0.00 39.33 39.06 3kir h ASP 150 CO 1.03 1.62 -0.76 0.00 -1.03 0.00 0.00 179.24 180.10 3kir s ALA 151 N -2.48 1.92 0.25 4.15 0.00 -1.26 -5.11 121.76 119.22 3kir s ALA 151 Ca -0.19 -1.70 -0.30 0.00 0.00 0.00 0.00 51.96 49.77 3kir s ALA 151 Cb 0.04 -1.61 -0.10 0.00 0.00 0.00 0.00 23.12 21.45 3kir s ALA 151 CO 0.78 -1.50 1.45 -0.48 0.00 0.00 0.00 175.76 176.01 3kir s LEU 152 N 1.41 4.38 0.00 0.00 2.34 -1.26 -4.98 118.68 120.57 3kir s LEU 152 Ca 0.05 2.67 0.00 0.00 0.06 0.00 0.00 54.13 56.91 3kir s LEU 152 Cb -0.18 -3.62 0.00 0.00 -0.56 0.00 0.00 46.19 41.83 3kir s LEU 152 CO -0.15 -0.71 0.00 -2.11 -1.06 0.00 0.00 176.35 172.32 3kir n ARG 153 N 2.40 2.03 -1.25 1.48 1.85 -1.26 -4.96 116.66 116.94 3kir n ARG 153 Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.91 3kir n ARG 153 Cb 0.40 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.81 3kir n ARG 153 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kir n GLY 154 N 3.12 1.84 3.63 2.89 0.00 -1.26 -3.66 105.19 111.75 3kir n GLY 154 Ca 0.00 -1.02 -0.05 0.00 0.00 0.00 0.00 46.02 44.95 3kir n GLY 154 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3kir s MET 155 N -2.01 0.25 0.04 1.61 0.23 -1.11 -4.80 119.30 113.51 3kir s MET 155 Ca 0.01 0.12 -0.01 0.00 -1.03 0.00 0.00 55.69 54.78 3kir s MET 155 Cb -0.00 0.12 -0.04 0.00 -1.53 0.00 0.00 34.83 33.38 3kir s MET 155 CO 0.01 -0.07 0.21 -0.51 -2.03 0.00 0.00 175.02 172.63 3kir s ASP 156 N -0.70 6.38 -0.05 -1.18 1.01 -0.79 -1.57 116.67 119.77 3kir s ASP 156 Ca 0.05 0.32 0.01 0.00 0.71 0.00 0.00 52.55 53.65 3kir s ASP 156 Cb -0.02 -1.99 0.02 0.00 1.01 0.00 0.00 42.92 41.94 3kir s ASP 156 CO -0.07 0.20 -0.07 -0.63 0.21 0.00 0.00 175.17 174.82 3kir s ILE 157 N -1.44 0.71 0.00 0.77 1.01 -0.10 0.41 121.20 122.56 3kir s ILE 157 Ca 0.32 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.74 3kir s ILE 157 Cb -0.13 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.64 3kir s ILE 157 CO 0.24 0.26 0.00 0.00 0.00 0.00 0.00 174.94 175.44 3kir n ALA 158 N 3.96 0.00 0.00 9.38 0.00 -0.36 -2.65 120.51 130.83 3kir n ALA 158 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3kir n ALA 158 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3kir n ALA 158 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3kir n VAL 159 N 0.00 0.00 -2.82 0.00 3.14 -1.15 -4.37 118.33 113.13 3kir n VAL 159 Ca 0.00 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 3kir n VAL 159 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 3kir n VAL 159 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3kir s VAL 160 N 0.00 4.24 0.04 1.55 1.01 0.14 -2.77 120.40 124.61 3kir s VAL 160 Ca 0.00 1.78 0.02 0.00 0.00 0.00 0.00 61.98 63.78 3kir s VAL 160 Cb 0.00 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 3kir s VAL 160 CO 0.00 0.17 -0.07 -0.89 0.00 0.00 0.00 175.10 174.31 3kir s THR 161 N -1.58 0.50 -1.50 3.92 2.01 -1.26 -1.46 115.64 116.27 3kir s THR 161 Ca 0.49 -0.98 0.18 0.00 0.31 0.00 0.00 61.69 61.69 3kir s THR 161 Cb -0.19 -0.56 0.33 0.00 0.01 0.00 0.00 72.50 72.10 3kir s THR 161 CO 0.24 -0.34 1.52 0.41 -0.69 0.00 0.00 174.62 175.76 3kir n THR 162 N 1.63 0.42 -2.47 -0.82 -1.04 -1.26 -4.72 114.28 106.01 3kir n THR 162 Ca -0.22 0.11 -0.40 0.00 -2.04 0.00 0.00 64.05 61.49 3kir n THR 162 Cb 0.55 -0.81 -0.04 0.00 -1.82 0.00 0.00 70.33 68.20 3kir n THR 162 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kir s ALA 163 N -2.50 3.40 0.00 2.41 0.00 -1.26 -4.80 121.76 119.01 3kir s ALA 163 Ca 0.18 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3kir s ALA 163 Cb 0.12 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3kir s ALA 163 CO 0.26 -0.16 0.00 0.39 0.00 0.00 0.00 175.76 176.25 3kir n GLU 164 N 1.17 0.00 -1.74 0.00 1.02 -1.26 -4.73 120.64 115.10 3kir n GLU 164 Ca -0.01 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.71 3kir n GLU 164 Cb 0.45 -0.01 -0.03 0.00 -0.02 0.00 0.00 31.44 31.83 3kir n GLU 164 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3kir s THR 165 N 0.00 2.38 -1.86 2.62 -4.23 -1.26 -3.57 115.64 109.72 3kir s THR 165 Ca 0.00 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 3kir s THR 165 Cb 0.00 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.79 3kir s THR 165 CO 0.00 0.00 0.44 -0.90 -0.54 0.00 0.00 174.62 173.62 3kir n ASP 166 N 5.01 0.00 0.17 3.99 5.75 -1.21 -1.69 116.55 128.57 3kir n ASP 166 Ca 0.17 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.81 3kir n ASP 166 Cb 0.37 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.38 3kir n ASP 166 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3kir h GLU 167 N 0.00 -0.41 0.03 0.11 4.57 -1.90 -0.48 114.58 116.49 3kir h GLU 167 Ca 0.00 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.22 3kir h GLU 167 Cb 0.00 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3kir h GLU 167 CO 0.00 -0.11 -0.08 0.93 -1.18 0.00 0.00 179.01 178.57 3kir h GLU 168 N -0.72 -0.15 0.00 1.92 5.08 -1.70 -1.39 114.58 117.62 3kir h GLU 168 Ca -0.04 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3kir h GLU 168 Cb 0.49 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3kir h GLU 168 CO 0.07 -0.10 0.00 0.00 -1.00 0.00 0.00 179.01 177.98 3kir h ALA 169 N 0.81 1.00 -0.06 3.43 0.00 -1.61 0.94 119.26 123.77 3kir h ALA 169 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 3kir h ALA 169 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kir h ALA 169 CO -0.06 0.00 -0.73 -0.09 0.00 0.00 0.00 179.25 178.36 3kir h ARG 170 N 0.00 0.32 0.00 0.00 9.65 0.08 -3.18 114.38 121.25 3kir h ARG 170 Ca 0.00 -0.27 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 3kir h ARG 170 Cb 0.10 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 3kir h ARG 170 CO 0.00 0.92 0.00 0.00 2.80 0.00 0.00 179.97 183.69 3kir n ALA 171 N -2.49 -0.22 -0.39 2.80 0.00 0.28 -3.29 120.51 117.20 3kir n ALA 171 Ca -0.04 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.73 3kir n ALA 171 Cb 0.71 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.71 3kir n ALA 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3kir n LEU 172 N -1.96 0.16 0.10 0.00 0.00 -0.90 0.31 117.00 114.71 3kir n LEU 172 Ca 0.00 1.09 -0.18 0.00 0.00 0.00 0.00 56.01 56.92 3kir n LEU 172 Cb 0.00 -0.54 -0.14 0.00 0.00 0.00 0.00 43.42 42.74 3kir n LEU 172 CO 0.00 -1.18 -0.19 -0.07 0.00 0.00 0.00 177.39 175.95 3kir h LEU 173 N 0.00 0.51 -1.14 -1.96 3.38 -1.66 -3.19 115.31 111.25 3kir h LEU 173 Ca 0.71 -0.60 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3kir h LEU 173 Cb 2.32 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.89 3kir h LEU 173 CO -0.35 1.48 -0.34 -0.08 0.09 0.00 0.00 178.44 179.23 3kir h GLU 174 N 0.09 0.15 -1.85 1.13 4.81 -0.13 -2.01 114.58 116.77 3kir h GLU 174 Ca -0.20 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3kir h GLU 174 Cb 2.03 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.41 3kir h GLU 174 CO 0.21 0.48 0.00 1.28 -0.73 0.00 0.00 179.01 180.24 3kir n LEU 175 N -4.10 4.78 0.00 1.64 4.77 -0.15 -2.70 117.00 121.24 3kir n LEU 175 Ca -0.01 -2.18 0.00 0.00 -0.03 0.00 0.00 56.01 53.79 3kir n LEU 175 Cb 0.41 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 3kir n LEU 175 CO 0.40 0.89 0.00 0.18 -1.33 0.00 0.00 177.39 177.53 3kir n LEU 176 N 1.36 0.00 -0.01 2.23 4.77 -0.79 -4.79 117.00 119.77 3kir n LEU 176 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kir n LEU 176 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3kir n LEU 176 CO 0.00 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 3kir n GLY 177 N 0.00 1.52 3.39 -0.72 0.00 -1.10 -4.99 105.19 103.29 3kir n GLY 177 Ca 0.00 -0.03 -0.45 0.00 0.00 0.00 0.00 46.02 45.54 3kir n GLY 177 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kir s PHE 178 N -2.02 3.55 0.25 1.61 0.40 -1.01 -4.80 117.98 115.96 3kir s PHE 178 Ca 0.00 -1.87 -0.30 0.00 -0.60 0.00 0.00 56.93 54.16 3kir s PHE 178 Cb 0.00 -4.06 -0.14 0.00 0.51 0.00 0.00 43.02 39.33 3kir s PHE 178 CO 0.00 -1.23 1.16 -0.35 0.70 0.00 0.00 175.22 175.50 3kir n PRO 179 N 5.01 1.52 -4.07 0.24 -0.04 -1.26 -4.64 135.00 131.77 3kir n PRO 179 Ca 0.22 0.54 -0.25 0.00 -0.04 0.00 0.00 63.50 63.97 3kir n PRO 179 Cb 0.46 -2.02 -0.17 0.00 -0.04 0.00 0.00 33.50 31.73 3kir n PRO 179 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3kir s PHE 180 N -0.63 1.27 -1.84 0.54 2.99 -1.26 0.20 117.98 119.25 3kir s PHE 180 Ca 0.64 -0.55 0.00 0.00 0.00 0.00 0.00 56.93 57.02 3kir s PHE 180 Cb -0.72 -1.07 0.00 0.00 0.00 0.00 0.00 43.02 41.24 3kir s PHE 180 CO 0.56 -0.40 0.41 -2.13 -0.00 0.00 0.00 175.22 173.67 3kir n ARG 181 N 4.62 0.45 0.00 0.44 0.63 -0.02 -4.81 116.66 117.96 3kir n ARG 181 Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 3kir n ARG 181 Cb 0.50 -1.04 0.00 0.00 0.45 0.00 0.00 32.46 32.38 3kir n ARG 181 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75