#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir s LYS 2 N 0.00 4.14 0.00 0.03 -2.85 -1.26 -4.90 119.74 114.90 3kir s LYS 2 Ca 0.00 2.54 0.00 0.00 -1.00 0.00 0.00 55.97 57.51 3kir s LYS 2 Cb 0.00 -3.05 0.00 0.00 -2.06 0.00 0.00 37.83 32.72 3kir s LYS 2 CO 0.00 -0.63 0.00 -0.85 0.10 0.00 0.00 175.35 173.97 3kir n GLU 3 N 2.53 0.00 -3.80 1.78 0.28 -1.26 -4.43 120.64 115.74 3kir n GLU 3 Ca 0.09 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.74 3kir n GLU 3 Cb 0.37 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.13 3kir n GLU 3 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3kir s VAL 4 N 0.00 3.26 0.00 3.84 1.01 -1.26 -3.23 120.40 124.02 3kir s VAL 4 Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 61.98 59.46 3kir s VAL 4 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.17 3kir s VAL 4 CO 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 175.10 174.34 3kir n ALA 5 N 4.04 0.00 -4.01 5.51 0.00 -0.84 -5.00 120.51 120.21 3kir n ALA 5 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.17 3kir n ALA 5 Cb 0.39 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.68 3kir n ALA 5 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kir s VAL 6 N -0.98 1.52 1.26 0.00 1.01 -1.26 -4.24 120.40 117.71 3kir s VAL 6 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 3kir s VAL 6 Cb 0.00 -1.45 0.31 0.00 0.00 0.00 0.00 36.38 35.24 3kir s VAL 6 CO 0.00 0.43 1.05 -0.47 0.00 0.00 0.00 175.10 176.11 3kir s TYR 7 N 1.50 0.27 -0.44 5.22 5.04 -1.15 -3.26 117.35 124.53 3kir s TYR 7 Ca 0.05 0.58 0.07 0.00 -2.44 0.00 0.00 57.07 55.32 3kir s TYR 7 Cb -0.13 -3.26 0.18 0.00 0.35 0.00 0.00 41.96 39.10 3kir s TYR 7 CO -0.10 -4.18 0.62 -1.14 -1.34 0.00 0.00 175.55 169.40 3kir s GLN 8 N -5.23 0.88 0.00 4.97 2.00 -1.26 -4.59 119.66 116.42 3kir s GLN 8 Ca 0.70 -0.63 0.00 0.00 -2.00 0.00 0.00 55.36 53.42 3kir s GLN 8 Cb -0.12 -0.10 0.00 0.00 0.80 0.00 0.00 33.01 33.59 3kir s GLN 8 CO 0.57 -1.24 0.00 -0.89 -0.50 0.00 0.00 175.29 173.23 3kir n ILE 9 N 3.91 0.00 -0.17 -2.34 5.41 -1.25 -3.77 119.36 121.16 3kir n ILE 9 Ca 0.14 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.85 3kir n ILE 9 Cb 0.55 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.50 3kir n ILE 9 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3kir h PRO 10 N 0.17 -0.11 0.00 0.38 0.11 -1.87 -3.38 132.00 127.30 3kir h PRO 10 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3kir h PRO 10 Cb 0.00 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.14 3kir h PRO 10 CO 0.00 -0.08 0.00 0.28 -0.21 0.00 0.00 178.00 177.99 3kir n VAL 11 N -5.42 0.00 -0.11 3.15 0.31 -1.26 -4.09 118.33 110.91 3kir n VAL 11 Ca 0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.24 3kir n VAL 11 Cb 0.33 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.15 3kir n VAL 11 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kir n LEU 12 N 0.00 2.11 -3.51 7.52 4.77 -1.26 -5.00 117.00 121.63 3kir n LEU 12 Ca 0.00 -0.09 -0.47 0.00 -0.03 0.00 0.00 56.01 55.42 3kir n LEU 12 Cb 0.00 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 40.59 3kir n LEU 12 CO 0.00 0.76 0.59 -1.54 -1.33 0.00 0.00 177.39 175.87 3kir n SER 13 N -3.02 0.32 -4.08 -1.43 3.41 -1.26 -4.85 113.62 102.71 3kir n SER 13 Ca -0.37 0.89 -0.37 0.00 -0.26 0.00 0.00 58.87 58.76 3kir n SER 13 Cb 0.98 -0.69 0.07 0.00 -0.26 0.00 0.00 64.21 64.30 3kir n SER 13 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3kir n PRO 14 N 1.81 -0.41 -2.21 4.33 -0.02 -1.26 -3.77 135.00 133.47 3kir n PRO 14 Ca 0.18 -0.11 -0.31 0.00 -2.02 0.00 0.00 63.50 61.23 3kir n PRO 14 Cb 0.02 -1.20 -0.04 0.00 -0.02 0.00 0.00 33.50 32.26 3kir n PRO 14 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3kir s SER 15 N -1.24 5.56 0.00 2.55 0.01 -1.26 -3.87 113.70 115.45 3kir s SER 15 Ca 0.42 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.49 3kir s SER 15 Cb 0.02 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.68 3kir s SER 15 CO 0.68 -2.41 0.00 0.61 0.41 0.00 0.00 173.24 172.53 3kir n GLY 16 N 6.53 -3.20 2.73 3.44 0.00 -1.26 -4.73 105.19 108.70 3kir n GLY 16 Ca 0.40 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.27 3kir n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kir s ARG 17 N 0.00 1.00 0.60 1.61 0.52 -1.26 -2.93 118.95 118.49 3kir s ARG 17 Ca 0.00 -1.18 -0.17 0.00 -0.52 0.00 0.00 55.73 53.87 3kir s ARG 17 Cb 0.00 -0.32 -0.03 0.00 0.52 0.00 0.00 34.95 35.12 3kir s ARG 17 CO 0.00 -1.32 1.10 0.50 0.02 0.00 0.00 175.30 175.60 3kir s ARG 18 N 0.84 3.14 -0.21 3.54 3.52 -1.26 -4.84 118.95 123.68 3kir s ARG 18 Ca 0.29 1.41 -0.16 0.00 -0.13 0.00 0.00 55.73 57.14 3kir s ARG 18 Cb -0.00 -1.99 0.06 0.00 -1.56 0.00 0.00 34.95 31.45 3kir s ARG 18 CO -0.08 -0.98 0.55 -1.83 -0.81 0.00 0.00 175.30 172.15 3kir s GLU 19 N -3.80 0.59 0.04 5.12 -1.05 -1.26 -1.99 118.70 116.35 3kir s GLU 19 Ca 0.68 0.89 -0.01 0.00 -0.15 0.00 0.00 54.97 56.38 3kir s GLU 19 Cb -0.20 0.18 -0.03 0.00 -0.44 0.00 0.00 34.13 33.63 3kir s GLU 19 CO 0.35 -0.12 -0.03 -0.51 0.95 0.00 0.00 175.26 175.90 3kir s LEU 20 N 0.93 2.41 0.00 1.83 1.43 -1.20 -4.99 118.68 119.09 3kir s LEU 20 Ca -0.05 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.21 3kir s LEU 20 Cb -0.05 0.15 0.00 0.00 0.03 0.00 0.00 46.19 46.32 3kir s LEU 20 CO -0.08 -0.49 0.00 0.00 0.23 0.00 0.00 176.35 176.01 3kir n ALA 21 N 0.60 0.00 0.81 4.21 0.00 -1.26 -3.68 120.51 121.19 3kir n ALA 21 Ca -0.17 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.29 3kir n ALA 21 Cb 0.59 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.15 3kir n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kir n ALA 22 N 0.00 1.93 0.91 0.00 0.00 -1.26 -2.30 120.51 119.79 3kir n ALA 22 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.49 3kir n ALA 22 Cb 0.00 -1.06 0.41 0.00 0.00 0.00 0.00 19.45 18.80 3kir n ALA 22 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kir n ASP 23 N -0.64 0.00 -0.84 0.00 8.00 -1.24 -3.42 116.55 118.41 3kir n ASP 23 Ca 0.03 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.05 3kir n ASP 23 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3kir n ASP 23 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kir n LEU 24 N -0.97 0.00 -2.38 0.64 7.99 -0.97 -3.77 117.00 117.53 3kir n LEU 24 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.10 3kir n LEU 24 Cb 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 3kir n LEU 24 CO 0.08 -0.03 0.06 -0.81 -1.51 0.00 0.00 177.39 175.17 3kir n PRO 25 N -0.06 0.00 -0.25 3.23 -0.04 -1.26 -4.50 135.00 132.12 3kir n PRO 25 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 3kir n PRO 25 Cb 0.00 -0.98 0.14 0.00 -0.04 0.00 0.00 33.50 32.63 3kir n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kir n ALA 26 N 1.65 0.25 0.00 0.55 0.00 -1.22 -4.71 120.51 117.03 3kir n ALA 26 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.21 3kir n ALA 26 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 18.95 3kir n ALA 26 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kir n GLU 27 N -5.08 0.00 -1.91 0.00 2.13 -1.26 -5.06 120.64 109.45 3kir n GLU 27 Ca 0.13 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.62 3kir n GLU 27 Cb 0.43 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.17 3kir n GLU 27 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 3kir s ILE 28 N 0.00 3.28 -0.55 6.31 -0.00 -1.26 -5.03 121.20 123.95 3kir s ILE 28 Ca 0.00 0.64 0.04 0.00 -0.00 0.00 0.00 60.65 61.33 3kir s ILE 28 Cb 0.00 -3.18 0.15 0.00 -0.00 0.00 0.00 42.46 39.43 3kir s ILE 28 CO 0.00 -0.32 0.33 0.21 -0.00 0.00 0.00 174.94 175.16 3kir s ASN 29 N -2.39 4.08 0.20 4.36 3.84 -1.26 -5.01 114.94 118.75 3kir s ASN 29 Ca 0.68 -3.18 -0.15 0.00 0.21 0.00 0.00 52.86 50.42 3kir s ASN 29 Cb -0.21 -1.39 0.21 0.00 -0.55 0.00 0.00 41.25 39.31 3kir s ASN 29 CO 0.37 -0.19 1.33 -2.65 -2.79 0.00 0.00 177.10 173.17 3kir n PRO 30 N 2.85 -0.20 -0.17 0.43 -0.02 -1.26 -0.77 135.00 135.86 3kir n PRO 30 Ca 0.12 1.32 -0.02 0.00 -2.02 0.00 0.00 63.50 62.91 3kir n PRO 30 Cb 0.35 -1.95 0.07 0.00 -0.02 0.00 0.00 33.50 31.94 3kir n PRO 30 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3kir h HIS 31 N 0.00 0.02 -0.69 6.00 -0.00 -1.99 0.80 115.15 119.29 3kir h HIS 31 Ca 0.30 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.68 3kir h HIS 31 Cb 0.51 0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.96 3kir h HIS 31 CO -0.75 -0.09 0.33 1.25 -0.00 0.00 0.00 177.93 178.67 3kir h LEU 32 N 0.15 0.88 -0.69 0.26 6.46 -1.38 0.16 115.31 121.15 3kir h LEU 32 Ca 0.26 -0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 3kir h LEU 32 Cb 0.40 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 3kir h LEU 32 CO -0.41 0.74 0.43 0.25 -0.62 0.00 0.00 178.44 178.83 3kir h LEU 33 N 0.97 0.82 -0.02 2.25 5.85 -0.60 -2.13 115.31 122.46 3kir h LEU 33 Ca 0.24 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3kir h LEU 33 Cb 0.09 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 3kir h LEU 33 CO -0.03 0.63 0.01 -0.25 -0.34 0.00 0.00 178.44 178.46 3kir h TRP 34 N 0.94 0.03 -0.17 1.25 7.01 0.50 -2.64 115.95 122.87 3kir h TRP 34 Ca 0.25 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.30 3kir h TRP 34 Cb -0.05 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 3kir h TRP 34 CO -0.02 0.12 0.16 0.93 -2.79 0.00 0.00 178.44 176.84 3kir h GLU 35 N -0.07 0.00 0.04 2.65 5.08 -0.40 0.56 114.58 122.44 3kir h GLU 35 Ca 0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 3kir h GLU 35 Cb 0.10 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.37 3kir h GLU 35 CO -0.00 0.00 -0.75 0.28 -1.00 0.00 0.00 179.01 177.54 3kir h VAL 36 N 0.00 1.42 -0.33 3.13 2.07 -1.15 -2.65 116.25 118.74 3kir h VAL 36 Ca 0.08 -2.23 -0.01 0.00 0.82 0.00 0.00 66.70 65.37 3kir h VAL 36 Cb 0.40 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 3kir h VAL 36 CO -0.00 0.65 0.18 0.58 0.02 0.00 0.00 177.57 179.00 3kir h VAL 37 N -0.08 1.13 -0.24 2.57 2.07 -0.99 0.13 116.25 120.85 3kir h VAL 37 Ca -0.11 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.13 3kir h VAL 37 Cb 1.48 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 3kir h VAL 37 CO 0.15 0.13 -0.19 -0.09 0.02 0.00 0.00 177.57 177.59 3kir h ARG 38 N 0.41 -0.18 -0.30 1.57 2.43 -0.99 0.18 114.38 117.51 3kir h ARG 38 Ca 0.12 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.34 3kir h ARG 38 Cb 0.05 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3kir h ARG 38 CO -0.02 -0.12 0.06 2.35 -1.51 0.00 0.00 179.97 180.73 3kir h TRP 39 N -0.19 0.10 -0.32 2.20 7.01 -1.09 0.53 115.95 124.18 3kir h TRP 39 Ca 0.14 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 3kir h TRP 39 Cb 0.40 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 3kir h TRP 39 CO -0.35 0.02 0.19 1.96 -2.79 0.00 0.00 178.44 177.47 3kir h GLN 40 N 0.17 0.44 -0.02 2.65 4.20 0.27 -1.21 115.11 121.60 3kir h GLN 40 Ca 0.14 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 3kir h GLN 40 Cb 0.15 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3kir h GLN 40 CO -0.18 0.34 -0.40 -0.07 -0.67 0.00 0.00 178.83 177.85 3kir h LEU 41 N 0.41 0.04 0.01 1.46 3.38 -0.44 -2.68 115.31 117.50 3kir h LEU 41 Ca 0.11 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kir h LEU 41 Cb 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kir h LEU 41 CO -0.02 0.44 -0.01 0.00 0.09 0.00 0.00 178.44 178.94 3kir h ALA 42 N 1.57 -0.02 0.00 1.53 0.00 -0.65 -3.24 119.26 118.44 3kir h ALA 42 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3kir h ALA 42 Cb 0.72 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3kir h ALA 42 CO 0.05 -0.08 -0.01 1.57 0.00 0.00 0.00 179.25 180.78 3kir h LYS 43 N -0.89 0.00 0.00 0.00 2.10 -1.27 0.11 116.57 116.62 3kir h LYS 43 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kir h LYS 43 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 3kir h LYS 43 CO 0.00 0.01 0.00 0.07 -2.00 0.00 0.00 179.45 177.54 3kir h ARG 44 N 0.00 0.00 -6.55 0.07 0.11 -1.53 -3.44 114.38 103.04 3kir h ARG 44 Ca -0.00 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.51 3kir h ARG 44 Cb 0.04 0.00 0.18 0.00 1.11 0.00 0.00 29.97 31.30 3kir h ARG 44 CO 0.00 0.00 -0.45 0.54 0.10 0.00 0.00 179.97 180.16 3kir n ARG 45 N -2.45 0.39 -0.01 0.08 1.74 0.39 -4.97 116.66 111.84 3kir n ARG 45 Ca 0.04 0.16 -0.20 0.00 -0.77 0.00 0.00 57.85 57.08 3kir n ARG 45 Cb 0.41 -1.72 -0.14 0.00 -1.02 0.00 0.00 32.46 29.99 3kir n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3kir n ARG 46 N -0.26 0.74 -3.71 5.56 3.00 -1.26 -4.86 116.66 115.87 3kir n ARG 46 Ca 0.10 0.25 -0.22 0.00 -0.00 0.00 0.00 57.85 57.99 3kir n ARG 46 Cb 0.49 -1.69 0.03 0.00 0.00 0.00 0.00 32.46 31.28 3kir n ARG 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kir n GLY 47 N 2.00 -0.32 0.88 5.14 0.00 -1.26 -4.90 105.19 106.73 3kir n GLY 47 Ca -0.32 0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.89 3kir n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kir n THR 48 N -4.26 2.32 -2.80 2.61 -2.24 -1.26 -2.57 114.28 106.08 3kir n THR 48 Ca -0.29 -2.17 -0.42 0.00 -2.27 0.00 0.00 64.05 58.89 3kir n THR 48 Cb 0.68 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 3kir n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kir s ALA 49 N -2.96 3.61 0.16 6.98 0.00 -1.26 -4.88 121.76 123.41 3kir s ALA 49 Ca 0.42 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.31 3kir s ALA 49 Cb 0.35 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.01 3kir s ALA 49 CO 0.06 -1.11 -0.06 0.45 0.00 0.00 0.00 175.76 175.10 3kir s SER 50 N 1.42 1.62 0.16 0.00 0.15 -1.25 -2.83 113.70 112.96 3kir s SER 50 Ca 0.38 -1.07 -0.14 0.00 0.70 0.00 0.00 55.95 55.82 3kir s SER 50 Cb -0.14 0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.21 3kir s SER 50 CO 0.09 -0.42 0.40 0.42 1.20 0.00 0.00 173.24 174.93 3kir s THR 51 N -3.44 0.06 -0.21 6.45 -4.23 -0.66 -4.88 115.64 108.74 3kir s THR 51 Ca 0.19 -0.92 -0.09 0.00 -1.18 0.00 0.00 61.69 59.70 3kir s THR 51 Cb 0.04 -1.52 -0.04 0.00 1.34 0.00 0.00 72.50 72.32 3kir s THR 51 CO 0.02 -0.26 0.10 -0.54 -0.54 0.00 0.00 174.62 173.39 3kir s LYS 52 N -3.88 3.99 0.87 3.99 1.02 -1.26 -4.91 119.74 119.56 3kir s LYS 52 Ca 0.09 -0.32 -0.12 0.00 0.02 0.00 0.00 55.97 55.64 3kir s LYS 52 Cb 0.01 -3.34 0.11 0.00 -0.52 0.00 0.00 37.83 34.10 3kir s LYS 52 CO -0.05 0.17 1.11 0.95 -0.92 0.00 0.00 175.35 176.60 3kir s THR 53 N 0.69 2.61 -2.00 2.17 -4.23 -1.26 -0.52 115.64 113.10 3kir s THR 53 Ca 0.05 0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.77 3kir s THR 53 Cb -0.13 -2.86 0.02 0.00 1.34 0.00 0.00 72.50 70.87 3kir s THR 53 CO 0.01 -0.26 0.38 -2.11 -0.54 0.00 0.00 174.62 172.11 3kir n ARG 54 N -3.69 0.03 -0.00 3.99 1.85 -1.26 -0.94 116.66 116.63 3kir n ARG 54 Ca 0.07 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.96 3kir n ARG 54 Cb 0.57 -1.34 -0.06 0.00 -1.05 0.00 0.00 32.46 30.58 3kir n ARG 54 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kir n GLY 55 N -0.80 -0.09 0.00 2.89 0.00 -1.26 -4.44 105.19 101.49 3kir n GLY 55 Ca 0.00 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.92 3kir n GLY 55 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kir n GLU 56 N -1.50 0.01 -2.34 1.61 1.02 -0.12 -4.91 120.64 114.41 3kir n GLU 56 Ca -0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 3kir n GLU 56 Cb 0.18 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 3kir n GLU 56 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kir s VAL 57 N -3.00 3.20 0.16 2.62 1.01 -1.14 -4.93 120.40 118.33 3kir s VAL 57 Ca 0.10 1.18 -0.18 0.00 0.00 0.00 0.00 61.98 63.09 3kir s VAL 57 Cb 0.17 -3.74 0.08 0.00 0.00 0.00 0.00 36.38 32.89 3kir s VAL 57 CO 0.76 0.26 1.67 0.00 0.00 0.00 0.00 175.10 177.79 3kir h ALA 58 N 3.51 0.23 -1.41 5.51 0.00 -1.94 -3.46 119.26 121.70 3kir h ALA 58 Ca -0.48 0.14 -0.40 0.00 0.00 0.00 0.00 54.91 54.18 3kir h ALA 58 Cb 1.22 0.30 0.16 0.00 0.00 0.00 0.00 17.79 19.46 3kir h ALA 58 CO 0.66 -0.46 -1.15 0.66 0.00 0.00 0.00 179.25 178.95 3kir n TYR 59 N -5.30 -3.15 -1.48 0.00 0.53 -1.26 -4.98 117.16 101.52 3kir n TYR 59 Ca 0.02 0.09 -0.23 0.00 -1.02 0.00 0.00 57.90 56.75 3kir n TYR 59 Cb 0.21 -1.07 0.17 0.00 -1.03 0.00 0.00 39.34 37.63 3kir n TYR 59 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3kir n SER 60 N 2.23 -0.53 -0.11 7.72 2.88 -1.26 -4.97 113.62 119.57 3kir n SER 60 Ca 0.01 -1.27 0.07 0.00 -1.33 0.00 0.00 58.87 56.35 3kir n SER 60 Cb 0.37 -0.80 0.10 0.00 -0.75 0.00 0.00 64.21 63.13 3kir n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kir n GLY 61 N -2.31 4.18 3.77 0.46 0.00 -1.26 -4.52 105.19 105.50 3kir n GLY 61 Ca 0.13 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 3kir n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kir s ARG 62 N -2.22 3.03 -0.12 1.61 3.52 -1.26 -4.68 118.95 118.82 3kir s ARG 62 Ca 0.22 1.46 -0.27 0.00 -0.13 0.00 0.00 55.73 57.01 3kir s ARG 62 Cb 0.19 -1.97 -0.02 0.00 -1.56 0.00 0.00 34.95 31.59 3kir s ARG 62 CO 0.03 -1.08 0.89 0.21 -0.81 0.00 0.00 175.30 174.53 3kir s LYS 63 N -3.81 4.38 0.21 5.12 2.20 -1.26 -3.82 119.74 122.76 3kir s LYS 63 Ca 0.69 1.16 -0.10 0.00 -0.36 0.00 0.00 55.97 57.37 3kir s LYS 63 Cb -0.21 -3.54 0.26 0.00 -1.51 0.00 0.00 37.83 32.83 3kir s LYS 63 CO 0.36 -0.24 1.76 0.97 -0.36 0.00 0.00 175.35 177.84 3kir h ILE 64 N 5.06 0.82 -4.07 5.43 6.09 -1.55 -3.44 117.51 125.85 3kir h ILE 64 Ca -0.33 -0.16 -0.16 0.00 -1.37 0.00 0.00 64.86 62.84 3kir h ILE 64 Cb 1.15 0.31 -0.15 0.00 0.47 0.00 0.00 36.82 38.61 3kir h ILE 64 CO 0.82 0.09 -0.69 0.26 -3.07 0.00 0.00 178.15 175.56 3kir s TRP 65 N -6.09 0.68 0.63 2.19 0.51 -1.26 -5.04 118.94 110.56 3kir s TRP 65 Ca -0.13 -1.01 0.16 0.00 -2.12 0.00 0.00 56.10 53.00 3kir s TRP 65 Cb 0.17 -0.44 0.61 0.00 -0.81 0.00 0.00 33.47 32.99 3kir s TRP 65 CO 0.75 -0.29 1.24 -1.35 -0.51 0.00 0.00 176.95 176.79 3kir h PRO 66 N 3.07 0.00 -0.01 4.98 0.11 -1.94 -3.44 132.00 134.76 3kir h PRO 66 Ca -0.35 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 3kir h PRO 66 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kir h PRO 66 CO 0.65 0.00 -0.00 0.94 -0.21 0.00 0.00 178.00 179.38 3kir n GLN 67 N -2.94 -0.04 0.00 1.05 -0.06 -1.26 -4.93 117.38 109.20 3kir n GLN 67 Ca 0.12 0.27 0.00 0.00 -2.00 0.00 0.00 57.00 55.38 3kir n GLN 67 Cb 1.21 -3.55 0.00 0.00 -4.06 0.00 0.00 30.24 23.84 3kir n GLN 67 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 3kir n LYS 68 N -2.95 0.00 -0.20 3.69 3.00 -1.26 -4.93 118.16 115.51 3kir n LYS 68 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.30 3kir n LYS 68 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.04 3kir n LYS 68 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3kir n HIS 69 N 0.00 0.00 -0.02 5.64 8.25 -1.26 -3.64 115.22 124.19 3kir n HIS 69 Ca 0.00 -0.38 -0.22 0.00 -0.26 0.00 0.00 57.72 56.87 3kir n HIS 69 Cb 0.00 -0.38 -0.13 0.00 1.12 0.00 0.00 29.99 30.60 3kir n HIS 69 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3kir h THR 70 N 1.72 0.86 0.00 1.59 2.02 -1.98 -3.49 112.91 113.63 3kir h THR 70 Ca 0.01 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 64.86 3kir h THR 70 Cb 0.38 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 3kir h THR 70 CO 0.03 0.69 0.00 0.61 0.37 0.00 0.00 175.52 177.22 3kir n GLY 71 N 1.76 2.02 3.93 2.16 0.00 -1.24 -5.07 105.19 108.75 3kir n GLY 71 Ca -0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 3kir n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kir s ARG 72 N -0.17 1.11 0.47 1.61 1.81 -1.26 -5.06 118.95 117.45 3kir s ARG 72 Ca 0.00 -0.39 -0.09 0.00 -1.72 0.00 0.00 55.73 53.53 3kir s ARG 72 Cb 0.00 -1.95 -0.05 0.00 -0.45 0.00 0.00 34.95 32.50 3kir s ARG 72 CO 0.00 -2.07 0.82 0.00 -0.68 0.00 0.00 175.30 173.37 3kir s ALA 73 N -3.70 3.31 0.32 2.13 0.00 -1.26 -4.95 121.76 117.61 3kir s ALA 73 Ca 0.70 -0.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.11 3kir s ALA 73 Cb -0.06 -2.74 -0.10 0.00 0.00 0.00 0.00 23.12 20.22 3kir s ALA 73 CO 0.51 -0.23 1.34 -0.98 0.00 0.00 0.00 175.76 176.40 3kir s ARG 74 N -4.34 4.32 0.04 0.00 1.70 -1.26 -4.97 118.95 114.44 3kir s ARG 74 Ca 0.51 2.26 -0.11 0.00 -0.47 0.00 0.00 55.73 57.92 3kir s ARG 74 Cb -0.10 -3.07 0.01 0.00 -0.57 0.00 0.00 34.95 31.22 3kir s ARG 74 CO 0.39 -0.25 0.23 -1.01 -1.08 0.00 0.00 175.30 173.58 3kir s HIS 75 N -0.97 -0.00 0.00 5.89 3.76 -1.26 -5.11 115.29 117.59 3kir s HIS 75 Ca 0.51 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 55.23 3kir s HIS 75 Cb -0.41 0.01 0.00 0.00 1.11 0.00 0.00 32.58 33.30 3kir s HIS 75 CO 0.53 -0.45 0.00 0.41 -0.85 0.00 0.00 174.74 174.37 3kir n GLY 76 N 0.66 0.47 3.92 -2.22 0.00 -1.26 -4.38 105.19 102.38 3kir n GLY 76 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 3kir n GLY 76 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kir s ASP 77 N -1.00 4.99 -0.01 1.61 -4.77 -1.25 -1.77 116.67 114.48 3kir s ASP 77 Ca 0.00 0.61 0.02 0.00 -3.30 0.00 0.00 52.55 49.88 3kir s ASP 77 Cb 0.00 -1.33 0.06 0.00 -1.09 0.00 0.00 42.92 40.56 3kir s ASP 77 CO 0.00 -1.51 0.88 2.30 0.70 0.00 0.00 175.17 177.55 3kir n ILE 78 N -2.91 0.13 1.03 2.11 -5.35 -1.26 -3.22 119.36 109.88 3kir n ILE 78 Ca 0.07 -0.09 0.11 0.00 -0.27 0.00 0.00 62.75 62.57 3kir n ILE 78 Cb 0.60 -0.15 0.03 0.00 -1.74 0.00 0.00 39.64 38.37 3kir n ILE 78 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kir n GLY 79 N 0.39 -0.69 3.67 3.28 0.00 -1.26 -3.70 105.19 106.88 3kir n GLY 79 Ca 0.02 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 3kir n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kir n ALA 80 N -0.97 0.89 0.31 4.61 0.00 -1.20 -0.87 120.51 123.27 3kir n ALA 80 Ca 0.07 0.24 0.14 0.00 0.00 0.00 0.00 53.44 53.89 3kir n ALA 80 Cb 0.37 -2.20 0.70 0.00 0.00 0.00 0.00 19.45 18.32 3kir n ALA 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kir h PRO 81 N 1.82 0.00 -0.99 0.00 0.11 -1.92 -2.27 132.00 128.75 3kir h PRO 81 Ca -0.47 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.24 3kir h PRO 81 Cb 1.31 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.18 3kir h PRO 81 CO 0.58 0.00 0.51 0.44 -0.21 0.00 0.00 178.00 179.32 3kir n ILE 82 N -2.91 2.74 -0.44 4.15 -5.35 -1.26 -4.45 119.36 111.83 3kir n ILE 82 Ca -0.01 -1.51 0.04 0.00 -0.27 0.00 0.00 62.75 61.00 3kir n ILE 82 Cb 0.50 -0.57 0.08 0.00 -1.74 0.00 0.00 39.64 37.91 3kir n ILE 82 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3kir n PHE 83 N -0.76 0.10 0.00 4.28 0.99 -0.85 -5.02 117.46 116.19 3kir n PHE 83 Ca 0.47 -0.70 0.00 0.00 -0.00 0.00 0.00 57.45 57.22 3kir n PHE 83 Cb 1.42 -0.10 0.00 0.00 -1.00 0.00 0.00 39.48 39.81 3kir n PHE 83 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3kir n VAL 84 N -0.74 0.00 -0.18 -4.37 0.31 -1.26 -3.49 118.33 108.59 3kir n VAL 84 Ca 0.08 0.00 0.30 0.00 -0.01 0.00 0.00 64.34 64.70 3kir n VAL 84 Cb 0.44 0.00 0.71 0.00 -0.91 0.00 0.00 33.84 34.08 3kir n VAL 84 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3kir h GLY 85 N 0.00 0.00 -1.25 2.92 0.00 -1.93 -3.43 103.07 99.38 3kir h GLY 85 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 3kir h GLY 85 CO 0.00 0.00 -0.71 0.61 0.00 0.00 0.00 176.54 176.44 3kir n GLY 86 N -1.68 -2.23 3.85 4.60 0.00 -1.23 -4.99 105.19 103.52 3kir n GLY 86 Ca 0.20 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 3kir n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kir s GLY 87 N -1.58 1.61 0.08 -0.02 0.00 -0.05 -4.93 107.32 102.42 3kir s GLY 87 Ca 0.30 -0.43 -0.06 0.00 0.00 0.00 0.00 44.72 44.54 3kir s GLY 87 CO 0.35 0.02 0.33 0.54 0.00 0.00 0.00 173.10 174.34 3kir s VAL 88 N -3.36 5.22 0.00 1.40 0.11 0.32 -4.03 120.40 120.06 3kir s VAL 88 Ca 0.61 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.76 3kir s VAL 88 Cb -0.12 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.12 3kir s VAL 88 CO 0.52 0.20 0.00 0.52 -3.33 0.00 0.00 175.10 173.01 3kir n VAL 89 N 0.59 0.00 -0.29 2.04 0.31 -1.26 -4.28 118.33 115.43 3kir n VAL 89 Ca -0.07 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.19 3kir n VAL 89 Cb 0.52 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.43 3kir n VAL 89 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3kir n PHE 90 N 0.00 0.41 -1.48 3.52 3.72 -1.26 -4.85 117.46 117.52 3kir n PHE 90 Ca 0.00 -0.90 -0.30 0.00 -0.05 0.00 0.00 57.45 56.20 3kir n PHE 90 Cb 0.00 -0.95 0.11 0.00 -0.94 0.00 0.00 39.48 37.70 3kir n PHE 90 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3kir s GLY 91 N 3.85 1.61 0.29 1.37 0.00 -1.26 -5.00 107.32 108.19 3kir s GLY 91 Ca 0.17 -0.22 -0.29 0.00 0.00 0.00 0.00 44.72 44.37 3kir s GLY 91 CO -0.01 0.24 1.15 2.56 0.00 0.00 0.00 173.10 177.04 3kir s PRO 92 N -5.13 4.56 0.10 2.90 0.04 -1.26 -4.89 135.00 131.33 3kir s PRO 92 Ca 0.62 1.91 0.10 0.00 0.04 0.00 0.00 61.00 63.66 3kir s PRO 92 Cb -0.15 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 3kir s PRO 92 CO 0.55 0.11 -0.24 0.15 0.04 0.00 0.00 177.00 177.61 3kir s LYS 93 N -1.54 1.65 0.29 4.56 -0.14 -1.21 -1.65 119.74 121.69 3kir s LYS 93 Ca 0.46 -1.22 -0.29 0.00 -1.36 0.00 0.00 55.97 53.55 3kir s LYS 93 Cb -0.34 -1.99 -0.13 0.00 -1.68 0.00 0.00 37.83 33.69 3kir s LYS 93 CO 0.44 0.48 1.27 -0.35 -0.76 0.00 0.00 175.35 176.43 3kir n PRO 94 N 1.15 1.90 -3.64 -1.68 -0.04 -1.13 -4.77 135.00 126.80 3kir n PRO 94 Ca -0.17 0.67 -0.10 0.00 -0.04 0.00 0.00 63.50 63.86 3kir n PRO 94 Cb 0.53 -2.23 -0.04 0.00 -0.04 0.00 0.00 33.50 31.72 3kir n PRO 94 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3kir s ARG 95 N -1.23 1.26 -0.08 0.54 1.70 -1.06 -5.04 118.95 115.03 3kir s ARG 95 Ca 0.61 -0.73 -0.23 0.00 -0.47 0.00 0.00 55.73 54.91 3kir s ARG 95 Cb -0.64 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.23 3kir s ARG 95 CO 0.57 -0.53 0.68 0.34 -1.08 0.00 0.00 175.30 175.29 3kir s ASP 96 N -2.83 6.95 0.00 -2.89 -1.08 -1.26 -4.37 116.67 111.19 3kir s ASP 96 Ca 0.05 1.14 0.14 0.00 -0.52 0.00 0.00 52.55 53.36 3kir s ASP 96 Cb -0.00 -2.40 0.16 0.00 -1.46 0.00 0.00 42.92 39.22 3kir s ASP 96 CO -0.08 -0.12 1.02 -1.22 0.52 0.00 0.00 175.17 175.29 3kir n TYR 97 N 3.88 0.11 -2.23 -5.34 4.01 -1.26 -5.02 117.16 111.32 3kir n TYR 97 Ca -0.02 -0.10 -0.27 0.00 -0.16 0.00 0.00 57.90 57.36 3kir n TYR 97 Cb 0.51 -0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.69 3kir n TYR 97 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3kir s SER 98 N -1.14 3.62 -0.15 7.72 1.04 -1.26 -4.25 113.70 119.28 3kir s SER 98 Ca 0.19 -0.04 -0.32 0.00 0.48 0.00 0.00 55.95 56.26 3kir s SER 98 Cb 0.12 -0.13 0.14 0.00 0.10 0.00 0.00 66.02 66.25 3kir s SER 98 CO 0.18 -2.37 1.10 -0.72 0.98 0.00 0.00 173.24 172.41 3kir s TYR 99 N -3.57 -0.23 -0.93 5.02 1.13 -1.26 -4.97 117.35 112.55 3kir s TYR 99 Ca 0.71 0.25 -0.21 0.00 -1.41 0.00 0.00 57.07 56.40 3kir s TYR 99 Cb -0.04 0.50 0.08 0.00 -1.10 0.00 0.00 41.96 41.40 3kir s TYR 99 CO 0.49 -0.29 1.26 0.99 -2.51 0.00 0.00 175.55 175.49 3kir s THR 100 N -2.04 4.28 0.20 -3.49 2.01 -1.26 -4.98 115.64 110.36 3kir s THR 100 Ca 0.05 -0.97 -0.31 0.00 0.31 0.00 0.00 61.69 60.78 3kir s THR 100 Cb -0.01 -4.90 -0.10 0.00 0.01 0.00 0.00 72.50 67.51 3kir s THR 100 CO -0.04 -1.71 1.48 -0.22 -0.69 0.00 0.00 174.62 173.44 3kir s LEU 101 N 4.01 4.38 -0.41 4.42 2.96 -1.26 -4.83 118.68 127.94 3kir s LEU 101 Ca 0.37 2.60 -0.44 0.00 -0.22 0.00 0.00 54.13 56.44 3kir s LEU 101 Cb -0.04 -3.61 -0.18 0.00 0.50 0.00 0.00 46.19 42.86 3kir s LEU 101 CO -0.06 -0.74 1.68 -2.65 -1.32 0.00 0.00 176.35 173.26 3kir n PRO 102 N 3.17 0.50 -0.22 0.98 -0.02 -1.26 -4.75 135.00 133.40 3kir n PRO 102 Ca 0.10 0.18 -0.01 0.00 -2.02 0.00 0.00 63.50 61.75 3kir n PRO 102 Cb 0.40 -1.77 0.05 0.00 -0.02 0.00 0.00 33.50 32.17 3kir n PRO 102 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kir h LYS 103 N 6.09 -0.04 -0.82 -0.52 1.57 -2.00 0.23 116.57 121.08 3kir h LYS 103 Ca -0.44 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.51 3kir h LYS 103 Cb 1.35 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.61 3kir h LYS 103 CO 0.98 -0.03 0.54 0.87 -0.57 0.00 0.00 179.45 181.24 3kir h LYS 104 N -0.05 0.39 -0.01 3.15 1.57 -2.00 0.47 116.57 120.09 3kir h LYS 104 Ca 0.30 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.90 3kir h LYS 104 Cb 0.51 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3kir h LYS 104 CO -0.69 0.26 -0.72 0.28 -0.57 0.00 0.00 179.45 178.01 3kir h VAL 105 N 0.40 1.48 -0.05 0.50 2.07 -0.93 -0.38 116.25 119.35 3kir h VAL 105 Ca 0.41 -2.37 -0.00 0.00 0.82 0.00 0.00 66.70 65.56 3kir h VAL 105 Cb 1.00 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 33.04 3kir h VAL 105 CO -0.14 0.68 0.03 0.03 0.02 0.00 0.00 177.57 178.19 3kir h ARG 106 N 0.06 0.06 0.59 1.57 2.47 0.69 -2.09 114.38 117.74 3kir h ARG 106 Ca -0.01 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 3kir h ARG 106 Cb 1.27 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.58 3kir h ARG 106 CO 0.10 0.10 -0.35 0.87 0.56 0.00 0.00 179.97 181.25 3kir h LYS 107 N 0.01 -0.85 -0.89 0.04 1.79 -0.88 -2.63 116.57 113.16 3kir h LYS 107 Ca 0.02 0.06 0.14 0.00 -2.18 0.00 0.00 60.65 58.68 3kir h LYS 107 Cb 0.06 0.19 -0.14 0.00 -1.58 0.00 0.00 32.23 30.76 3kir h LYS 107 CO -0.00 -0.56 -0.35 1.63 -1.08 0.00 0.00 179.45 179.08 3kir n LYS 108 N -4.60 -0.21 0.12 3.15 4.76 -0.17 -0.75 118.16 120.47 3kir n LYS 108 Ca -0.11 1.37 -0.13 0.00 -2.87 0.00 0.00 58.31 56.57 3kir n LYS 108 Cb 0.36 -2.04 -0.06 0.00 -1.84 0.00 0.00 35.03 31.46 3kir n LYS 108 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3kir h GLY 109 N 0.00 -0.55 -0.53 0.72 0.00 -1.30 0.27 103.07 101.69 3kir h GLY 109 Ca 0.31 0.34 0.10 0.00 0.00 0.00 0.00 47.33 48.08 3kir h GLY 109 CO -0.88 -0.24 -0.41 -2.00 0.00 0.00 0.00 176.54 173.01 3kir h LEU 110 N -0.51 -1.43 -0.56 3.11 6.46 -0.55 0.96 115.31 122.79 3kir h LEU 110 Ca 0.03 0.25 0.07 0.00 -0.12 0.00 0.00 57.88 58.10 3kir h LEU 110 Cb 0.54 0.67 -0.06 0.00 -0.73 0.00 0.00 40.66 41.08 3kir h LEU 110 CO -0.16 -0.32 0.25 0.00 -0.62 0.00 0.00 178.44 177.58 3kir h ALA 111 N 0.77 0.72 -0.20 1.25 0.00 -0.75 -1.71 119.26 119.33 3kir h ALA 111 Ca 0.20 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3kir h ALA 111 Cb 0.56 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3kir h ALA 111 CO -0.72 -0.13 -0.24 0.52 0.00 0.00 0.00 179.25 178.69 3kir h MET 112 N 0.46 0.37 0.33 0.00 2.86 0.30 -1.23 114.93 118.03 3kir h MET 112 Ca 0.27 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 3kir h MET 112 Cb 0.25 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3kir h MET 112 CO -0.23 0.59 -0.16 0.00 1.06 0.00 0.00 176.91 178.18 3kir h ALA 113 N 1.42 -1.12 -0.35 6.32 0.00 0.16 -0.55 119.26 125.15 3kir h ALA 113 Ca 0.05 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3kir h ALA 113 Cb 0.60 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 3kir h ALA 113 CO 0.04 -1.08 -0.45 0.28 0.00 0.00 0.00 179.25 178.04 3kir h VAL 114 N -0.45 0.10 0.00 0.00 2.07 -1.43 -1.14 116.25 115.40 3kir h VAL 114 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3kir h VAL 114 Cb 0.34 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3kir h VAL 114 CO 0.07 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.66 3kir n ALA 115 N -3.04 -0.02 -0.32 1.67 0.00 -0.47 0.24 120.51 118.57 3kir n ALA 115 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.51 3kir n ALA 115 Cb 0.35 0.33 0.19 0.00 0.00 0.00 0.00 19.45 20.32 3kir n ALA 115 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kir n ASP 116 N -1.83 -0.23 -0.08 0.00 2.03 -0.22 0.12 116.55 116.35 3kir n ASP 116 Ca 0.00 1.54 -0.08 0.00 0.52 0.00 0.00 54.79 56.76 3kir n ASP 116 Cb 0.00 -0.51 -0.01 0.00 -0.72 0.00 0.00 41.12 39.88 3kir n ASP 116 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3kir h ARG 117 N 0.00 0.27 -0.21 -0.67 9.65 0.31 -2.24 114.38 121.50 3kir h ARG 117 Ca 0.48 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 59.28 3kir h ARG 117 Cb 0.86 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 3kir h ARG 117 CO -0.89 0.18 -0.16 0.00 2.80 0.00 0.00 179.97 181.90 3kir h ALA 118 N 1.15 1.35 0.00 2.80 0.00 0.53 -1.69 119.26 123.40 3kir h ALA 118 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kir h ALA 118 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3kir h ALA 118 CO -0.09 0.44 0.00 -2.13 0.00 0.00 0.00 179.25 177.47 3kir n ARG 119 N -4.21 0.03 0.00 0.00 0.63 0.64 -0.69 116.66 113.06 3kir n ARG 119 Ca -0.00 0.31 0.10 0.00 -0.92 0.00 0.00 57.85 57.33 3kir n ARG 119 Cb 0.32 -1.50 -0.04 0.00 0.45 0.00 0.00 32.46 31.68 3kir n ARG 119 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3kir n GLU 120 N -1.45 1.08 -1.77 -0.14 1.02 -0.66 -4.94 120.64 113.78 3kir n GLU 120 Ca 0.03 -0.62 -0.04 0.00 -0.02 0.00 0.00 57.16 56.51 3kir n GLU 120 Cb 0.10 -1.42 -0.01 0.00 -0.02 0.00 0.00 31.44 30.10 3kir n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kir n GLY 121 N 1.38 0.36 0.01 0.62 0.00 0.14 -4.91 105.19 102.78 3kir n GLY 121 Ca 0.07 -0.79 0.09 0.00 0.00 0.00 0.00 46.02 45.39 3kir n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kir n LYS 122 N -1.83 0.63 -2.64 1.61 4.76 -1.05 -4.94 118.16 114.70 3kir n LYS 122 Ca -0.04 -0.15 -0.41 0.00 -2.87 0.00 0.00 58.31 54.84 3kir n LYS 122 Cb 0.40 -1.44 -0.04 0.00 -1.84 0.00 0.00 35.03 32.12 3kir n LYS 122 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3kir s LEU 123 N -4.10 4.49 -0.32 -0.35 2.96 -1.23 -3.11 118.68 117.01 3kir s LEU 123 Ca -0.05 1.91 0.00 0.00 -0.22 0.00 0.00 54.13 55.77 3kir s LEU 123 Cb 0.12 -3.59 0.14 0.00 0.50 0.00 0.00 46.19 43.36 3kir s LEU 123 CO 0.78 -0.14 0.28 -0.22 -1.32 0.00 0.00 176.35 175.73 3kir s LEU 124 N -0.06 0.07 0.08 -0.68 2.96 0.48 -4.36 118.68 117.17 3kir s LEU 124 Ca 0.48 -1.24 -0.20 0.00 -0.22 0.00 0.00 54.13 52.95 3kir s LEU 124 Cb -0.26 0.28 -0.07 0.00 0.50 0.00 0.00 46.19 46.65 3kir s LEU 124 CO 0.32 -0.35 0.60 -1.48 -1.32 0.00 0.00 176.35 174.12 3kir s LEU 125 N 1.91 4.53 0.36 -0.68 2.34 -1.20 -2.55 118.68 123.39 3kir s LEU 125 Ca 0.12 1.32 0.05 0.00 0.06 0.00 0.00 54.13 55.68 3kir s LEU 125 Cb -0.16 -2.96 -0.03 0.00 -0.56 0.00 0.00 46.19 42.49 3kir s LEU 125 CO -0.21 0.26 0.20 0.68 -1.06 0.00 0.00 176.35 176.21 3kir s VAL 126 N -1.08 0.28 0.00 1.48 -7.23 0.86 -4.06 120.40 110.65 3kir s VAL 126 Ca 0.30 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 3kir s VAL 126 Cb -0.20 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.32 3kir s VAL 126 CO 0.20 0.00 0.00 1.21 -0.31 0.00 0.00 175.10 176.20 3kir n GLU 127 N -0.75 0.00 -1.64 4.82 4.07 -1.25 -1.01 120.64 124.89 3kir n GLU 127 Ca 0.01 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 56.95 3kir n GLU 127 Cb 0.64 -0.24 -0.09 0.00 -0.06 0.00 0.00 31.44 31.68 3kir n GLU 127 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kir s ALA 128 N -1.94 0.67 -1.04 4.31 0.00 -1.25 -4.84 121.76 117.67 3kir s ALA 128 Ca 0.00 -1.26 -0.03 0.00 0.00 0.00 0.00 51.96 50.67 3kir s ALA 128 Cb 0.00 -4.65 0.31 0.00 0.00 0.00 0.00 23.12 18.78 3kir s ALA 128 CO 0.00 -6.38 1.51 1.19 0.00 0.00 0.00 175.76 172.08 3kir n PHE 129 N 18.82 2.43 -0.31 0.00 3.72 -1.26 -4.87 117.46 135.98 3kir n PHE 129 Ca 0.44 -2.67 0.13 0.00 -0.05 0.00 0.00 57.45 55.29 3kir n PHE 129 Cb 0.45 -1.19 0.30 0.00 -0.94 0.00 0.00 39.48 38.10 3kir n PHE 129 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kir h ALA 130 N 5.08 1.46 -0.70 4.37 0.00 -1.97 -3.37 119.26 124.13 3kir h ALA 130 Ca 0.26 0.14 -0.29 0.00 0.00 0.00 0.00 54.91 55.03 3kir h ALA 130 Cb 0.55 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3kir h ALA 130 CO 1.27 -0.27 0.72 0.20 0.00 0.00 0.00 179.25 181.17 3kir s GLY 131 N -3.77 0.15 0.00 0.00 0.00 -1.26 -4.93 107.32 97.51 3kir s GLY 131 Ca -0.12 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.10 3kir s GLY 131 CO 0.78 3.51 0.00 1.55 0.00 0.00 0.00 173.10 178.95 3kir n VAL 132 N 7.90 0.00 -1.05 1.40 3.14 -1.26 -4.57 118.33 123.89 3kir n VAL 132 Ca 0.41 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.79 3kir n VAL 132 Cb 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.25 3kir n VAL 132 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3kir n ASN 133 N 0.00 0.00 0.00 6.55 5.03 -1.26 -3.83 115.26 121.75 3kir n ASN 133 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3kir n ASN 133 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3kir n ASN 133 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kir n GLY 134 N -0.22 0.00 3.34 7.41 0.00 -1.24 -4.85 105.19 109.63 3kir n GLY 134 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3kir n GLY 134 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kir s LYS 135 N 0.00 2.90 0.24 1.61 2.47 -1.25 -4.12 119.74 121.59 3kir s LYS 135 Ca 0.00 -0.78 -0.05 0.00 -1.56 0.00 0.00 55.97 53.58 3kir s LYS 135 Cb 0.00 -2.39 0.41 0.00 -1.46 0.00 0.00 37.83 34.39 3kir s LYS 135 CO 0.00 0.35 1.74 1.15 0.16 0.00 0.00 175.35 178.74 3kir h THR 136 N 5.11 0.69 -0.50 3.43 2.02 -1.85 -1.10 112.91 120.72 3kir h THR 136 Ca -0.31 -0.15 0.10 0.00 0.77 0.00 0.00 66.41 66.82 3kir h THR 136 Cb 1.19 0.20 -0.10 0.00 -1.74 0.00 0.00 68.15 67.70 3kir h THR 136 CO 0.51 0.08 -0.21 0.11 0.37 0.00 0.00 175.52 176.38 3kir h LYS 137 N 0.45 -0.09 -0.38 6.66 1.57 -1.96 -0.44 116.57 122.38 3kir h LYS 137 Ca 0.39 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.23 3kir h LYS 137 Cb 0.56 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 3kir h LYS 137 CO -0.38 -0.06 0.07 0.93 -0.57 0.00 0.00 179.45 179.44 3kir h GLU 138 N -0.10 0.19 -0.28 3.15 5.08 -1.58 -1.07 114.58 119.97 3kir h GLU 138 Ca 0.23 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 3kir h GLU 138 Cb 0.46 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3kir h GLU 138 CO -0.56 0.13 -0.12 0.35 -1.00 0.00 0.00 179.01 177.80 3kir h PHE 139 N 0.20 0.66 -0.86 4.33 3.57 -1.10 -1.23 116.94 122.51 3kir h PHE 139 Ca 0.18 -0.16 0.11 0.00 3.53 0.00 0.00 57.97 61.63 3kir h PHE 139 Cb 0.22 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 3kir h PHE 139 CO -0.20 0.81 0.56 1.25 -2.23 0.00 0.00 178.31 178.50 3kir h LEU 140 N 0.31 0.71 0.72 0.59 5.85 -0.88 0.69 115.31 123.31 3kir h LEU 140 Ca 0.06 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3kir h LEU 140 Cb 0.63 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.55 3kir h LEU 140 CO 0.04 0.41 -0.35 0.00 -0.34 0.00 0.00 178.44 178.20 3kir h ALA 141 N 1.58 -0.99 -0.88 1.25 0.00 -0.89 -2.26 119.26 117.06 3kir h ALA 141 Ca 0.41 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 55.30 3kir h ALA 141 Cb 0.51 0.37 -0.11 0.00 0.00 0.00 0.00 17.79 18.56 3kir h ALA 141 CO -0.17 -0.92 0.41 2.35 0.00 0.00 0.00 179.25 180.92 3kir h TRP 142 N -1.23 0.70 -0.39 0.00 7.01 -0.59 -0.81 115.95 120.65 3kir h TRP 142 Ca -0.10 0.04 0.07 0.00 2.11 0.00 0.00 58.89 61.01 3kir h TRP 142 Cb 0.74 -0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 27.57 3kir h TRP 142 CO 0.01 0.05 0.03 0.00 -2.79 0.00 0.00 178.44 175.73 3kir h ALA 143 N 1.65 0.38 0.71 2.65 0.00 0.48 -1.53 119.26 123.59 3kir h ALA 143 Ca 0.52 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.50 3kir h ALA 143 Cb 0.90 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3kir h ALA 143 CO -0.46 -0.37 -0.50 -0.22 0.00 0.00 0.00 179.25 177.70 3kir h LYS 144 N 0.14 -1.11 0.00 0.00 3.64 -0.54 -0.16 116.57 118.54 3kir h LYS 144 Ca 0.19 0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3kir h LYS 144 Cb 0.26 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3kir h LYS 144 CO -0.30 -0.74 0.25 0.93 -2.27 0.00 0.00 179.45 177.33 3kir h GLU 145 N -1.15 0.00 0.00 1.90 4.39 -1.29 0.72 114.58 119.15 3kir h GLU 145 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3kir h GLU 145 Cb 0.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 3kir h GLU 145 CO 0.05 0.00 -1.04 0.00 -1.16 0.00 0.00 179.01 176.87 3kir n ALA 146 N -1.79 3.23 0.00 3.43 0.00 -0.49 -4.97 120.51 119.92 3kir n ALA 146 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3kir n ALA 146 Cb 0.29 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3kir n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kir n GLY 147 N 1.34 0.89 3.32 0.00 0.00 0.25 -5.05 105.19 105.94 3kir n GLY 147 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 3kir n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kir s LEU 148 N 0.00 6.58 0.34 0.99 1.43 -0.19 -4.86 118.68 122.97 3kir s LEU 148 Ca 0.00 -2.94 0.22 0.00 -1.03 0.00 0.00 54.13 50.38 3kir s LEU 148 Cb 0.00 -2.19 0.20 0.00 0.03 0.00 0.00 46.19 44.23 3kir s LEU 148 CO 0.00 -0.49 1.39 -2.24 0.23 0.00 0.00 176.35 175.24 3kir h ASP 149 N 7.44 0.00 0.00 2.29 3.04 -1.89 -3.34 116.42 123.96 3kir h ASP 149 Ca 0.12 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.91 3kir h ASP 149 Cb 0.99 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.28 3kir h ASP 149 CO 0.81 0.04 0.00 0.61 -2.04 0.00 0.00 179.24 178.67 3kir n GLY 150 N 1.14 1.23 0.15 7.15 0.00 -1.26 -4.97 105.19 108.64 3kir n GLY 150 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 3kir n GLY 150 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3kir h SER 151 N 0.00 0.71 -3.62 1.61 0.02 -1.95 -3.45 113.55 106.86 3kir h SER 151 Ca 0.00 -0.84 -0.67 0.00 -0.84 0.00 0.00 61.79 59.44 3kir h SER 151 Cb 0.00 -0.22 -0.17 0.00 0.14 0.00 0.00 62.40 62.15 3kir h SER 151 CO 0.00 1.48 -0.72 -1.61 -1.14 0.00 0.00 176.83 174.84 3kir s GLU 152 N -2.90 2.36 0.23 3.45 2.02 -1.26 -5.11 118.70 117.49 3kir s GLU 152 Ca -0.11 -0.86 -0.30 0.00 0.02 0.00 0.00 54.97 53.72 3kir s GLU 152 Cb 0.04 -2.40 -0.09 0.00 0.10 0.00 0.00 34.13 31.78 3kir s GLU 152 CO 0.89 0.56 1.12 -1.54 0.02 0.00 0.00 175.26 176.31 3kir s SER 153 N -1.73 7.22 -0.10 -0.19 1.04 -1.26 -4.86 113.70 113.81 3kir s SER 153 Ca 0.19 2.21 0.04 0.00 0.48 0.00 0.00 55.95 58.87 3kir s SER 153 Cb -0.11 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3kir s SER 153 CO 0.10 -0.22 -0.24 -0.69 0.98 0.00 0.00 173.24 173.17 3kir s VAL 154 N -0.62 2.07 -0.68 5.02 1.01 0.19 -0.06 120.40 127.32 3kir s VAL 154 Ca 0.48 -1.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 3kir s VAL 154 Cb -0.31 -1.79 0.14 0.00 0.00 0.00 0.00 36.38 34.42 3kir s VAL 154 CO 0.38 0.56 0.74 -0.22 0.00 0.00 0.00 175.10 176.56 3kir s LEU 155 N 0.39 5.84 -0.43 3.92 2.96 0.96 -0.70 118.68 131.62 3kir s LEU 155 Ca -0.18 -1.90 -0.22 0.00 -0.22 0.00 0.00 54.13 51.62 3kir s LEU 155 Cb -0.18 -2.27 0.02 0.00 0.50 0.00 0.00 46.19 44.26 3kir s LEU 155 CO 0.08 -0.93 0.72 -0.22 -1.32 0.00 0.00 176.35 174.68 3kir s LEU 156 N 1.85 4.33 -0.26 -0.68 2.96 -0.95 -1.63 118.68 124.31 3kir s LEU 156 Ca 0.14 -0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 53.92 3kir s LEU 156 Cb -0.19 -2.86 0.04 0.00 0.50 0.00 0.00 46.19 43.67 3kir s LEU 156 CO -0.00 -0.81 -0.07 0.54 -1.32 0.00 0.00 176.35 174.68 3kir s VAL 157 N 3.04 2.67 0.07 1.68 0.11 0.05 -2.12 120.40 125.90 3kir s VAL 157 Ca 0.27 -1.23 -0.06 0.00 -2.93 0.00 0.00 61.98 58.02 3kir s VAL 157 Cb -0.13 -2.42 -0.01 0.00 -1.53 0.00 0.00 36.38 32.28 3kir s VAL 157 CO 0.20 0.11 0.12 0.28 -3.33 0.00 0.00 175.10 172.48 3kir s THR 158 N 1.26 0.16 -2.44 5.04 -1.32 -1.13 -1.14 115.64 116.07 3kir s THR 158 Ca -0.03 -1.29 0.26 0.00 -1.21 0.00 0.00 61.69 59.42 3kir s THR 158 Cb -0.18 -1.26 0.36 0.00 -1.51 0.00 0.00 72.50 69.91 3kir s THR 158 CO -0.05 -0.71 1.53 0.61 -2.21 0.00 0.00 174.62 173.79 3kir n GLY 159 N 0.20 0.13 3.51 6.08 0.00 -1.26 -4.03 105.19 109.81 3kir n GLY 159 Ca -0.16 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 3kir n GLY 159 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kir s ASN 160 N -2.14 6.27 0.31 1.61 3.04 -1.26 -4.91 114.94 117.86 3kir s ASN 160 Ca 0.31 -0.99 0.02 0.00 0.04 0.00 0.00 52.86 52.24 3kir s ASN 160 Cb 0.20 -2.49 0.75 0.00 -1.54 0.00 0.00 41.25 38.17 3kir s ASN 160 CO 0.38 -1.56 1.58 -0.33 -3.04 0.00 0.00 177.10 174.14 3kir h GLU 161 N 9.69 0.03 -0.65 0.43 5.08 -1.99 0.17 114.58 127.33 3kir h GLU 161 Ca -0.15 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 3kir h GLU 161 Cb 1.05 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 3kir h GLU 161 CO 1.25 0.02 0.09 -0.07 -1.00 0.00 0.00 179.01 179.30 3kir h LEU 162 N 0.03 1.04 -1.52 1.33 4.07 -1.97 -0.22 115.31 118.06 3kir h LEU 162 Ca 0.59 -0.25 -0.05 0.00 0.08 0.00 0.00 57.88 58.25 3kir h LEU 162 Cb 1.23 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.69 3kir h LEU 162 CO -0.89 1.04 -0.22 0.58 -1.08 0.00 0.00 178.44 177.87 3kir h VAL 163 N 1.01 1.17 0.69 1.22 2.07 -1.03 -0.54 116.25 120.84 3kir h VAL 163 Ca 0.20 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 3kir h VAL 163 Cb 0.45 1.40 0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3kir h VAL 163 CO 0.01 0.23 -0.33 -0.09 0.02 0.00 0.00 177.57 177.41 3kir h ARG 164 N 0.03 -0.89 -0.89 1.57 9.65 -0.12 -2.90 114.38 120.83 3kir h ARG 164 Ca 0.00 0.06 0.11 0.00 -1.10 0.00 0.00 59.98 59.06 3kir h ARG 164 Cb 0.40 0.20 -0.07 0.00 -1.39 0.00 0.00 29.97 29.12 3kir h ARG 164 CO 0.03 -0.57 0.57 0.00 2.80 0.00 0.00 179.97 182.81 3kir h ARG 165 N -1.12 0.79 -0.03 0.20 2.47 -0.80 -2.84 114.38 113.05 3kir h ARG 165 Ca -0.09 -0.05 0.02 0.00 -1.26 0.00 0.00 59.98 58.60 3kir h ARG 165 Cb 0.74 -0.18 -0.05 0.00 -1.65 0.00 0.00 29.97 28.84 3kir h ARG 165 CO 0.16 0.53 -0.44 0.00 0.56 0.00 0.00 179.97 180.77 3kir h ALA 166 N 1.57 -0.85 -3.00 0.04 0.00 -0.96 -3.42 119.26 112.65 3kir h ALA 166 Ca 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3kir h ALA 166 Cb 0.51 0.89 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3kir h ALA 166 CO -0.19 -0.99 0.00 0.00 0.00 0.00 0.00 179.25 178.08 3kir n ALA 167 N -2.89 0.00 0.00 0.00 0.00 -1.07 -3.88 120.51 112.67 3kir n ALA 167 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3kir n ALA 167 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3kir n ALA 167 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kir n ARG 168 N 0.00 0.00 0.00 0.00 0.63 -1.25 -4.47 116.66 111.57 3kir n ARG 168 Ca 0.00 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.06 3kir n ARG 168 Cb 0.00 0.00 0.73 0.00 0.45 0.00 0.00 32.46 33.64 3kir n ARG 168 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3kir n ASN 169 N 3.59 0.00 -4.69 6.15 2.85 -1.26 -4.69 115.26 117.21 3kir n ASN 169 Ca 0.00 -0.55 -0.41 0.00 -0.11 0.00 0.00 54.58 53.51 3kir n ASN 169 Cb 0.00 -0.10 -0.04 0.00 1.24 0.00 0.00 39.78 40.88 3kir n ASN 169 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3kir s LEU 170 N -2.21 4.26 0.62 1.20 1.02 -1.26 -4.94 118.68 117.37 3kir s LEU 170 Ca 0.34 1.27 0.33 0.00 0.02 0.00 0.00 54.13 56.09 3kir s LEU 170 Cb 0.18 -3.25 1.87 0.00 0.02 0.00 0.00 46.19 45.00 3kir s LEU 170 CO 0.33 -0.29 2.18 1.55 0.02 0.00 0.00 176.35 180.15 3kir h PRO 171 N 7.05 0.00 -0.02 1.29 0.13 -2.01 -1.35 132.00 137.08 3kir h PRO 171 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3kir h PRO 171 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3kir h PRO 171 CO 0.80 0.00 -0.02 -2.67 -0.23 0.00 0.00 178.00 175.88 3kir n TRP 172 N -3.55 0.00 -4.77 1.56 4.27 -1.26 -4.91 117.44 108.78 3kir n TRP 172 Ca -0.01 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.29 3kir n TRP 172 Cb 0.22 -0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 30.03 3kir n TRP 172 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 3kir s VAL 173 N -2.03 2.82 -0.38 -1.67 1.01 -0.51 0.52 120.40 120.17 3kir s VAL 173 Ca 0.34 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3kir s VAL 173 Cb 0.21 -2.15 0.12 0.00 0.00 0.00 0.00 36.38 34.55 3kir s VAL 173 CO 0.33 0.42 0.16 -0.69 0.00 0.00 0.00 175.10 175.32 3kir s VAL 174 N -0.85 1.33 0.89 2.92 1.01 0.12 -4.62 120.40 121.20 3kir s VAL 174 Ca 0.14 -2.08 -0.12 0.00 0.00 0.00 0.00 61.98 59.92 3kir s VAL 174 Cb -0.10 -1.97 0.13 0.00 0.00 0.00 0.00 36.38 34.43 3kir s VAL 174 CO 0.04 -0.77 1.10 0.28 0.00 0.00 0.00 175.10 175.75 3kir s THR 175 N 0.92 2.60 0.00 3.92 -1.32 -1.26 -2.23 115.64 118.28 3kir s THR 175 Ca 0.14 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 3kir s THR 175 Cb -0.21 -2.76 0.00 0.00 -1.51 0.00 0.00 72.50 68.02 3kir s THR 175 CO -0.11 -0.26 0.00 -0.11 -2.21 0.00 0.00 174.62 171.93 3kir n LEU 176 N -3.82 0.00 -4.63 9.08 7.94 -0.90 -4.88 117.00 119.80 3kir n LEU 176 Ca 0.07 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.67 3kir n LEU 176 Cb 0.56 0.00 0.19 0.00 0.53 0.00 0.00 43.42 44.70 3kir n LEU 176 CO 0.56 0.00 0.62 0.00 -1.11 0.00 0.00 177.39 177.47 3kir s ALA 177 N -0.21 0.87 0.25 1.96 0.00 -1.26 -2.82 121.76 120.55 3kir s ALA 177 Ca 0.00 0.20 0.09 0.00 0.00 0.00 0.00 51.96 52.26 3kir s ALA 177 Cb 0.00 -3.32 0.26 0.00 0.00 0.00 0.00 23.12 20.06 3kir s ALA 177 CO 0.00 -2.99 1.56 -1.00 0.00 0.00 0.00 175.76 173.32 3kir h PRO 178 N -2.02 0.02 -0.01 0.00 0.13 -1.88 -3.03 132.00 125.20 3kir h PRO 178 Ca -0.51 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 3kir h PRO 178 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 3kir h PRO 178 CO 0.48 0.69 -0.07 0.93 -0.23 0.00 0.00 178.00 179.80 3kir h GLU 179 N 0.01 0.02 -0.73 0.86 3.07 -1.95 -2.32 114.58 113.54 3kir h GLU 179 Ca -0.01 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3kir h GLU 179 Cb 1.20 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 3kir h GLU 179 CO 0.09 0.09 0.00 0.41 -1.40 0.00 0.00 179.01 178.20 3kir n GLY 180 N -1.32 2.31 3.55 -3.84 0.00 -1.14 -4.89 105.19 99.85 3kir n GLY 180 Ca -0.03 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 3kir n GLY 180 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kir s LEU 181 N -1.60 3.26 0.61 0.99 2.96 -0.88 -4.93 118.68 119.09 3kir s LEU 181 Ca 0.32 0.31 0.07 0.00 -0.22 0.00 0.00 54.13 54.61 3kir s LEU 181 Cb 0.24 -2.53 0.10 0.00 0.50 0.00 0.00 46.19 44.50 3kir s LEU 181 CO 0.10 -2.71 0.84 0.54 -1.32 0.00 0.00 176.35 173.80 3kir s ASN 182 N 9.35 4.91 -0.05 3.68 2.20 -1.26 -5.04 114.94 128.73 3kir s ASN 182 Ca 0.77 -0.73 0.19 0.00 -0.94 0.00 0.00 52.86 52.15 3kir s ASN 182 Cb -0.13 0.22 -0.22 0.00 -2.00 0.00 0.00 41.25 39.12 3kir s ASN 182 CO 0.17 -1.47 0.49 0.55 -2.94 0.00 0.00 177.10 173.90 3kir n VAL 183 N -2.39 0.95 0.28 3.54 3.14 -1.26 -3.64 118.33 118.95 3kir n VAL 183 Ca 0.15 -0.70 -0.16 0.00 -2.96 0.00 0.00 64.34 60.68 3kir n VAL 183 Cb 0.61 -0.46 -0.08 0.00 -1.06 0.00 0.00 33.84 32.85 3kir n VAL 183 CO 0.00 0.00 0.00 0.22 -6.46 0.00 0.00 176.83 170.59 3kir h TYR 184 N 0.00 -0.69 -0.76 1.45 3.20 -1.95 -1.90 116.97 116.32 3kir h TYR 184 Ca -0.25 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.61 3kir h TYR 184 Cb 1.65 0.24 -0.04 0.00 1.54 0.00 0.00 36.73 40.12 3kir h TYR 184 CO 0.00 -0.42 0.48 -0.44 -1.64 0.00 0.00 178.16 176.14 3kir h ASP 185 N -0.70 0.88 0.03 -2.11 3.32 -1.98 -0.82 116.42 115.04 3kir h ASP 185 Ca -0.06 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3kir h ASP 185 Cb 0.56 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 3kir h ASP 185 CO 0.08 0.66 -0.04 0.40 -1.72 0.00 0.00 179.24 178.62 3kir h ILE 186 N 1.03 1.04 0.17 0.35 2.04 -1.54 -3.08 117.51 117.52 3kir h ILE 186 Ca 0.27 -0.19 -0.35 0.00 1.00 0.00 0.00 64.86 65.60 3kir h ILE 186 Cb -0.08 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3kir h ILE 186 CO -0.06 0.06 -1.78 0.58 0.00 0.00 0.00 178.15 176.95 3kir h VAL 187 N 0.03 0.87 0.00 1.67 2.07 -0.41 -3.34 116.25 117.14 3kir h VAL 187 Ca 0.01 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.07 3kir h VAL 187 Cb 0.09 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 3kir h VAL 187 CO 0.00 0.85 0.00 0.08 0.02 0.00 0.00 177.57 178.53 3kir h ARG 188 N 0.05 0.00 -6.15 1.57 0.11 -1.15 -3.42 114.38 105.40 3kir h ARG 188 Ca -0.36 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.08 3kir h ARG 188 Cb 2.05 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 33.04 3kir h ARG 188 CO 0.14 0.00 -0.59 0.95 0.10 0.00 0.00 179.97 180.57 3kir s THR 189 N -3.59 4.61 0.02 0.08 -4.23 -1.17 -5.02 115.64 106.35 3kir s THR 189 Ca -0.01 -0.70 0.05 0.00 -1.18 0.00 0.00 61.69 59.84 3kir s THR 189 Cb 0.08 -3.21 -0.24 0.00 1.34 0.00 0.00 72.50 70.46 3kir s THR 189 CO 0.28 0.15 0.92 -0.33 -0.54 0.00 0.00 174.62 175.10 3kir h GLU 190 N 3.36 0.09 -5.56 3.99 5.08 -1.63 -3.47 114.58 116.45 3kir h GLU 190 Ca -0.47 -0.16 -0.51 0.00 -1.00 0.00 0.00 59.36 57.23 3kir h GLU 190 Cb 1.16 0.06 -0.27 0.00 0.50 0.00 0.00 28.75 30.20 3kir h GLU 190 CO 0.66 0.89 -0.82 0.50 -1.00 0.00 0.00 179.01 179.24 3kir s ARG 191 N -2.64 1.20 -0.22 2.33 3.52 0.91 -4.92 118.95 119.13 3kir s ARG 191 Ca -0.05 -0.70 -0.02 0.00 -0.13 0.00 0.00 55.73 54.83 3kir s ARG 191 Cb 0.08 -1.21 0.01 0.00 -1.56 0.00 0.00 34.95 32.28 3kir s ARG 191 CO 0.83 0.32 -0.09 -1.17 -0.81 0.00 0.00 175.30 174.38 3kir s LEU 192 N -0.77 2.86 -0.20 -0.88 0.20 -1.18 -0.03 118.68 118.68 3kir s LEU 192 Ca 0.05 -0.66 0.01 0.00 0.69 0.00 0.00 54.13 54.23 3kir s LEU 192 Cb -0.07 -1.65 0.03 0.00 -0.43 0.00 0.00 46.19 44.07 3kir s LEU 192 CO 0.00 -0.06 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.13 3kir s VAL 193 N 1.37 2.08 0.01 1.68 1.01 -0.64 -0.39 120.40 125.51 3kir s VAL 193 Ca 0.03 -1.10 0.08 0.00 0.00 0.00 0.00 61.98 60.99 3kir s VAL 193 Cb -0.15 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3kir s VAL 193 CO -0.06 0.40 -0.24 -0.04 0.00 0.00 0.00 175.10 175.16 3kir s MET 194 N 1.25 2.04 0.63 2.72 -1.94 -1.06 -0.77 119.30 122.17 3kir s MET 194 Ca 0.02 -0.98 -0.18 0.00 -1.71 0.00 0.00 55.69 52.84 3kir s MET 194 Cb -0.15 -2.07 -0.02 0.00 2.01 0.00 0.00 34.83 34.60 3kir s MET 194 CO -0.11 0.55 1.21 0.34 -0.01 0.00 0.00 175.02 177.00 3kir s ASP 195 N -0.96 4.94 0.29 3.03 -1.08 -0.29 -0.10 116.67 122.51 3kir s ASP 195 Ca 0.11 2.39 0.12 0.00 -0.52 0.00 0.00 52.55 54.65 3kir s ASP 195 Cb -0.10 -2.60 0.41 0.00 -1.46 0.00 0.00 42.92 39.18 3kir s ASP 195 CO 0.01 -1.76 1.64 0.25 0.52 0.00 0.00 175.17 175.83 3kir h LEU 196 N 0.60 0.00 -1.22 -1.34 6.46 -1.43 -0.35 115.31 118.03 3kir h LEU 196 Ca -0.50 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.18 3kir h LEU 196 Cb 1.30 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.22 3kir h LEU 196 CO 0.54 0.58 -0.39 0.44 -0.62 0.00 0.00 178.44 178.99 3kir h ASP 197 N 0.00 0.00 -0.04 1.25 3.32 -1.90 -2.84 116.42 116.21 3kir h ASP 197 Ca -0.01 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 3kir h ASP 197 Cb 1.04 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.60 3kir h ASP 197 CO 0.07 0.39 -0.54 0.00 -1.72 0.00 0.00 179.24 177.44 3kir h ALA 198 N 1.61 0.12 0.00 3.45 0.00 -1.70 -2.86 119.26 119.88 3kir h ALA 198 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3kir h ALA 198 Cb 0.70 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kir h ALA 198 CO 0.05 0.34 0.00 1.87 0.00 0.00 0.00 179.25 181.51 3kir n TRP 199 N -4.24 0.00 -0.07 0.00 -0.00 -0.21 -1.33 117.44 111.59 3kir n TRP 199 Ca -0.09 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.34 3kir n TRP 199 Cb 0.63 -0.48 -0.04 0.00 -0.00 0.00 0.00 31.31 31.42 3kir n TRP 199 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 3kir h GLU 200 N 0.00 0.00 -0.94 5.87 4.22 -1.35 -3.08 114.58 119.31 3kir h GLU 200 Ca 0.00 0.00 0.23 0.00 0.08 0.00 0.00 59.36 59.67 3kir h GLU 200 Cb 0.06 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 3kir h GLU 200 CO 0.00 0.27 0.62 -0.24 -2.18 0.00 0.00 179.01 177.48 3kir h VAL 201 N -1.00 0.63 -0.33 0.32 3.04 -1.09 0.34 116.25 118.15 3kir h VAL 201 Ca -0.05 -0.12 -0.10 0.00 -1.01 0.00 0.00 66.70 65.42 3kir h VAL 201 Cb 0.52 0.24 -0.01 0.00 -2.01 0.00 0.00 31.29 30.02 3kir h VAL 201 CO -0.03 0.06 -0.21 0.15 -1.01 0.00 0.00 177.57 176.53 3kir h PHE 202 N 0.36 0.69 -0.19 3.17 3.57 -1.32 -2.28 116.94 120.93 3kir h PHE 202 Ca 0.49 -0.14 -0.12 0.00 3.53 0.00 0.00 57.97 61.73 3kir h PHE 202 Cb 1.32 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 3kir h PHE 202 CO -0.00 0.78 -0.39 1.96 -2.23 0.00 0.00 178.31 178.43 3kir h GLN 203 N 0.55 0.44 0.00 1.11 1.08 -0.25 -2.85 115.11 115.19 3kir h GLN 203 Ca 0.08 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 3kir h GLN 203 Cb 0.66 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.08 3kir h GLN 203 CO 0.05 0.76 -0.10 -0.91 -0.95 0.00 0.00 178.83 177.68 3kir h ASN 204 N 0.37 0.00 -0.16 1.46 2.35 -1.28 -2.88 115.58 115.43 3kir h ASN 204 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3kir h ASN 204 Cb 0.85 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.22 3kir h ASN 204 CO 0.07 0.10 0.00 -1.14 -1.65 0.00 0.00 177.43 174.81 3kir n ARG 205 N -3.14 1.54 0.00 0.81 0.63 -0.87 -4.80 116.66 110.83 3kir n ARG 205 Ca 0.03 -0.66 0.00 0.00 -0.92 0.00 0.00 57.85 56.30 3kir n ARG 205 Cb 0.53 -1.28 0.00 0.00 0.45 0.00 0.00 32.46 32.16 3kir n ARG 205 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3kir n ILE 206 N 0.05 0.00 -0.70 5.15 2.08 -1.09 -4.93 119.36 119.93 3kir n ILE 206 Ca 0.06 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.37 3kir n ILE 206 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.12 3kir n ILE 206 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72