#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 3.80 -0.07 2.12 -0.14 -1.26 -1.10 119.74 123.09 3kir s LYS 2 Ca 0.00 1.99 -0.16 0.00 -1.36 0.00 0.00 55.97 56.44 3kir s LYS 2 Cb 0.00 -2.56 0.03 0.00 -1.68 0.00 0.00 37.83 33.62 3kir s LYS 2 CO 0.00 -0.58 0.38 0.14 -0.76 0.00 0.00 175.35 174.54 3kir s VAL 3 N -1.38 0.03 -0.09 3.17 -7.23 -0.72 -2.17 120.40 112.01 3kir s VAL 3 Ca 0.61 -0.25 -0.14 0.00 -1.81 0.00 0.00 61.98 60.40 3kir s VAL 3 Cb -0.34 -0.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.91 3kir s VAL 3 CO 0.42 -0.13 0.34 -0.63 -0.31 0.00 0.00 175.10 174.79 3kir s ILE 4 N -0.73 5.21 0.00 -0.62 1.01 -0.26 -1.55 121.20 124.26 3kir s ILE 4 Ca -0.08 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.24 3kir s ILE 4 Cb -0.04 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.78 3kir s ILE 4 CO 0.03 0.48 0.00 0.18 0.00 0.00 0.00 174.94 175.64 3kir n LEU 5 N 2.71 0.00 0.00 2.97 4.77 -1.02 -0.98 117.00 125.45 3kir n LEU 5 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3kir n LEU 5 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3kir n LEU 5 CO 0.38 -0.08 0.00 0.18 -1.33 0.00 0.00 177.39 176.54 3kir n LEU 6 N 0.00 0.00 -4.44 2.23 4.77 -1.18 -3.68 117.00 114.70 3kir n LEU 6 Ca 0.00 0.00 -0.50 0.00 -0.03 0.00 0.00 56.01 55.48 3kir n LEU 6 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 3kir n LEU 6 CO 0.00 0.00 1.83 -0.62 -1.33 0.00 0.00 177.39 177.27 3kir n GLU 7 N 0.00 0.93 -1.14 3.23 4.71 -1.26 -3.06 120.64 124.05 3kir n GLU 7 Ca 0.00 0.23 -0.35 0.00 -0.01 0.00 0.00 57.16 57.03 3kir n GLU 7 Cb 0.00 -2.39 0.08 0.00 -1.01 0.00 0.00 31.44 28.12 3kir n GLU 7 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3kir n PRO 8 N 8.21 0.16 -0.70 3.49 -0.04 -1.26 -4.85 135.00 140.01 3kir n PRO 8 Ca 0.43 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 3kir n PRO 8 Cb 0.22 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 3kir n PRO 8 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3kir n LEU 9 N -0.70 0.00 -4.84 1.53 4.32 -0.98 -4.83 117.00 111.50 3kir n LEU 9 Ca 0.09 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.71 3kir n LEU 9 Cb 0.51 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.25 3kir n LEU 9 CO 0.50 0.00 0.11 -0.70 -1.22 0.00 0.00 177.39 176.08 3kir s GLU 10 N -0.05 3.91 0.00 3.23 -6.30 -1.26 -3.94 118.70 114.29 3kir s GLU 10 Ca 0.00 0.41 0.00 0.00 -2.50 0.00 0.00 54.97 52.88 3kir s GLU 10 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 34.13 30.94 3kir s GLU 10 CO 0.00 0.67 0.00 -1.71 0.02 0.00 0.00 175.26 174.24 3kir n ASN 11 N 1.70 0.00 -3.15 -1.70 5.15 -1.26 -4.75 115.26 111.25 3kir n ASN 11 Ca -0.13 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 53.90 3kir n ASN 11 Cb 0.52 -2.28 -0.01 0.00 -0.53 0.00 0.00 39.78 37.48 3kir n ASN 11 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 3kir s LEU 12 N 0.00 -1.00 0.00 1.20 2.34 -1.26 -5.18 118.68 114.78 3kir s LEU 12 Ca 0.00 0.41 0.00 0.00 0.06 0.00 0.00 54.13 54.60 3kir s LEU 12 Cb 0.00 1.75 0.00 0.00 -0.56 0.00 0.00 46.19 47.38 3kir s LEU 12 CO 0.00 -0.19 0.00 0.61 -1.06 0.00 0.00 176.35 175.71 3kir n GLY 13 N 5.38 2.97 1.87 -3.48 0.00 -1.25 -2.33 105.19 108.35 3kir n GLY 13 Ca 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 45.04 3kir n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kir n ASP 14 N -0.56 -4.91 -3.37 1.61 8.00 -1.26 -4.62 116.55 111.45 3kir n ASP 14 Ca 0.00 1.00 -0.31 0.00 0.71 0.00 0.00 54.79 56.18 3kir n ASP 14 Cb 0.00 -3.44 0.03 0.00 -0.02 0.00 0.00 41.12 37.69 3kir n ASP 14 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3kir n VAL 15 N 1.04 0.00 -0.42 2.53 0.24 -1.17 -1.71 118.33 118.83 3kir n VAL 15 Ca -0.07 -0.26 -0.01 0.00 -2.04 0.00 0.00 64.34 61.96 3kir n VAL 15 Cb 0.11 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.47 3kir n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kir n GLY 16 N 2.95 0.08 3.73 7.63 0.00 -1.24 -4.85 105.19 113.49 3kir n GLY 16 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3kir n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kir s GLN 17 N -0.86 4.34 0.12 1.61 0.74 -0.70 -4.77 119.66 120.14 3kir s GLN 17 Ca 0.00 0.56 -0.26 0.00 0.05 0.00 0.00 55.36 55.71 3kir s GLN 17 Cb 0.00 -3.42 -0.07 0.00 1.10 0.00 0.00 33.01 30.62 3kir s GLN 17 CO 0.00 0.18 0.79 0.08 -0.55 0.00 0.00 175.29 175.80 3kir s VAL 18 N 0.50 4.49 -0.25 1.34 1.01 -1.26 -2.42 120.40 123.80 3kir s VAL 18 Ca 0.29 1.73 -0.13 0.00 0.00 0.00 0.00 61.98 63.86 3kir s VAL 18 Cb -0.16 -4.15 0.08 0.00 0.00 0.00 0.00 36.38 32.15 3kir s VAL 18 CO 0.13 0.45 0.60 0.54 0.00 0.00 0.00 175.10 176.82 3kir s VAL 19 N -0.69 -0.14 0.05 2.92 0.11 -0.60 -4.97 120.40 117.09 3kir s VAL 19 Ca 0.38 0.03 -0.19 0.00 -2.93 0.00 0.00 61.98 59.27 3kir s VAL 19 Cb -0.22 -0.88 -0.06 0.00 -1.53 0.00 0.00 36.38 33.68 3kir s VAL 19 CO 0.26 0.01 0.55 1.51 -3.33 0.00 0.00 175.10 174.10 3kir s ASP 20 N 1.75 7.02 0.35 3.54 1.47 -1.26 -1.76 116.67 127.77 3kir s ASP 20 Ca -0.09 1.21 0.05 0.00 1.18 0.00 0.00 52.55 54.89 3kir s ASP 20 Cb -0.07 -2.35 -0.02 0.00 -0.34 0.00 0.00 42.92 40.15 3kir s ASP 20 CO -0.18 0.25 0.16 1.33 0.68 0.00 0.00 175.17 177.41 3kir n VAL 21 N 1.94 0.00 -2.72 2.11 0.24 -0.26 -4.86 118.33 114.77 3kir n VAL 21 Ca -0.10 -2.15 -0.41 0.00 -2.04 0.00 0.00 64.34 59.63 3kir n VAL 21 Cb 0.51 0.85 -0.04 0.00 -1.47 0.00 0.00 33.84 33.69 3kir n VAL 21 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3kir s LYS 22 N -3.35 4.67 0.29 7.34 1.02 -1.26 -3.35 119.74 125.09 3kir s LYS 22 Ca 0.23 1.45 -0.02 0.00 0.02 0.00 0.00 55.97 57.65 3kir s LYS 22 Cb 0.01 -3.39 0.63 0.00 -0.52 0.00 0.00 37.83 34.56 3kir s LYS 22 CO 0.16 0.16 1.59 -1.35 -0.92 0.00 0.00 175.35 174.98 3kir h PRO 23 N 5.84 0.03 -0.47 -1.68 0.11 -1.99 -0.14 132.00 133.69 3kir h PRO 23 Ca -0.42 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.78 3kir h PRO 23 Cb 1.21 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.22 3kir h PRO 23 CO 0.72 0.02 -0.16 0.78 -0.21 0.00 0.00 178.00 179.16 3kir h GLY 24 N 0.03 0.25 0.99 -0.55 0.00 -1.98 0.49 103.07 102.30 3kir h GLY 24 Ca 0.53 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 48.06 3kir h GLY 24 CO -0.87 -0.20 -0.15 -1.82 0.00 0.00 0.00 176.54 173.50 3kir h TYR 25 N -0.05 -0.38 0.46 5.60 -0.00 -1.42 0.01 116.97 121.19 3kir h TYR 25 Ca 0.23 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.73 58.93 3kir h TYR 25 Cb 0.40 0.13 0.00 0.00 -0.00 0.00 0.00 36.73 37.26 3kir h TYR 25 CO -0.44 -0.22 -0.22 0.00 -0.00 0.00 0.00 178.16 177.27 3kir h ALA 26 N 0.27 -0.62 -0.40 1.82 0.00 -1.11 -0.54 119.26 118.67 3kir h ALA 26 Ca -0.04 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3kir h ALA 26 Cb 0.33 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3kir h ALA 26 CO 0.07 -0.83 0.21 -0.09 0.00 0.00 0.00 179.25 178.61 3kir h ARG 27 N -0.65 0.41 -0.32 0.00 2.43 -0.05 -0.04 114.38 116.16 3kir h ARG 27 Ca -0.06 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3kir h ARG 27 Cb 0.49 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3kir h ARG 27 CO 0.10 0.27 0.00 0.09 -1.51 0.00 0.00 179.97 178.93 3kir n ASN 28 N -4.91 3.13 0.00 -3.80 3.02 -0.01 -4.38 115.26 108.31 3kir n ASN 28 Ca 0.02 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 3kir n ASN 28 Cb 0.09 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 3kir n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kir n TYR 29 N 1.18 0.00 0.02 3.10 9.36 -0.26 -4.83 117.16 125.74 3kir n TYR 29 Ca 0.16 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.34 3kir n TYR 29 Cb 0.52 0.37 -0.02 0.00 -0.63 0.00 0.00 39.34 39.58 3kir n TYR 29 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3kir h LEU 30 N 0.00 -0.34 -0.63 2.98 3.38 -1.41 -1.36 115.31 117.93 3kir h LEU 30 Ca 0.00 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.10 3kir h LEU 30 Cb 0.00 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 3kir h LEU 30 CO 0.00 -0.12 0.24 -0.07 0.09 0.00 0.00 178.44 178.58 3kir h LEU 31 N -0.16 0.24 -1.17 1.67 4.07 -1.20 -1.78 115.31 116.97 3kir h LEU 31 Ca -0.00 0.08 -0.04 0.00 0.08 0.00 0.00 57.88 58.00 3kir h LEU 31 Cb 0.16 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 3kir h LEU 31 CO -0.06 0.14 0.09 -0.65 -1.08 0.00 0.00 178.44 176.87 3kir h PRO 32 N 0.42 0.67 -0.49 1.13 0.11 -1.74 -2.46 132.00 129.63 3kir h PRO 32 Ca 0.32 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3kir h PRO 32 Cb 0.40 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.40 3kir h PRO 32 CO -0.31 0.62 0.00 0.54 -0.21 0.00 0.00 178.00 178.64 3kir n ARG 33 N -4.30 2.16 -3.08 1.05 1.74 -0.52 -4.92 116.66 108.79 3kir n ARG 33 Ca 0.03 -1.39 -0.22 0.00 -0.77 0.00 0.00 57.85 55.50 3kir n ARG 33 Cb 0.22 -1.46 0.02 0.00 -1.02 0.00 0.00 32.46 30.21 3kir n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kir n GLY 34 N 0.86 -0.51 1.08 -0.13 0.00 -0.93 -4.85 105.19 100.71 3kir n GLY 34 Ca 0.13 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.36 3kir n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kir n LEU 35 N -3.79 3.34 -3.94 0.99 4.77 -0.72 -4.85 117.00 112.80 3kir n LEU 35 Ca -0.09 -1.47 0.05 0.00 -0.03 0.00 0.00 56.01 54.46 3kir n LEU 35 Cb 0.59 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.47 3kir n LEU 35 CO 0.46 0.71 1.20 0.00 -1.33 0.00 0.00 177.39 178.43 3kir s ALA 36 N -1.45 -2.74 0.14 -1.18 0.00 -1.25 -3.12 121.76 112.16 3kir s ALA 36 Ca 0.36 0.33 -0.06 0.00 0.00 0.00 0.00 51.96 52.59 3kir s ALA 36 Cb 0.21 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 24.12 3kir s ALA 36 CO 0.30 -1.16 0.18 0.08 0.00 0.00 0.00 175.76 175.16 3kir s VAL 37 N -2.01 0.09 0.09 0.00 1.01 -0.16 -4.41 120.40 115.02 3kir s VAL 37 Ca 0.29 -1.60 -0.31 0.00 0.00 0.00 0.00 61.98 60.36 3kir s VAL 37 Cb 0.02 -1.89 -0.07 0.00 0.00 0.00 0.00 36.38 34.44 3kir s VAL 37 CO -0.04 -0.40 1.32 -0.76 0.00 0.00 0.00 175.10 175.23 3kir s LEU 38 N -2.99 4.37 -1.15 3.92 1.43 -1.26 -1.11 118.68 121.89 3kir s LEU 38 Ca 0.19 2.21 -0.15 0.00 -1.03 0.00 0.00 54.13 55.35 3kir s LEU 38 Cb 0.05 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.63 3kir s LEU 38 CO -0.00 -0.59 2.20 0.00 0.23 0.00 0.00 176.35 178.18 3kir n ALA 39 N 3.99 4.87 -2.67 4.21 0.00 -0.92 -4.65 120.51 125.34 3kir n ALA 39 Ca 0.11 -3.35 -0.37 0.00 0.00 0.00 0.00 53.44 49.83 3kir n ALA 39 Cb 0.44 -3.47 -0.06 0.00 0.00 0.00 0.00 19.45 16.35 3kir n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kir s THR 40 N 3.75 5.24 0.34 0.00 -4.23 -1.26 -4.84 115.64 114.64 3kir s THR 40 Ca 0.53 0.58 0.18 0.00 -1.18 0.00 0.00 61.69 61.80 3kir s THR 40 Cb 0.14 -3.60 0.33 0.00 1.34 0.00 0.00 72.50 70.71 3kir s THR 40 CO -0.00 0.54 1.46 -0.62 -0.54 0.00 0.00 174.62 175.46 3kir n GLU 41 N 2.34 -0.06 0.01 3.99 1.02 -1.26 0.15 120.64 126.84 3kir n GLU 41 Ca -0.15 1.28 -0.01 0.00 -0.02 0.00 0.00 57.16 58.27 3kir n GLU 41 Cb 0.53 -2.29 -0.00 0.00 -0.02 0.00 0.00 31.44 29.66 3kir n GLU 41 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3kir h SER 42 N 0.00 -0.05 -0.28 1.62 0.87 -1.94 0.17 113.55 113.93 3kir h SER 42 Ca 0.77 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 61.32 3kir h SER 42 Cb 2.03 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 64.00 3kir h SER 42 CO -0.72 -0.02 0.11 0.78 -0.53 0.00 0.00 176.83 176.45 3kir h ASN 43 N -0.03 0.39 -0.69 6.23 2.35 -0.97 -2.70 115.58 120.16 3kir h ASN 43 Ca -0.00 -0.17 0.11 0.00 -0.55 0.00 0.00 56.30 55.69 3kir h ASN 43 Cb 0.03 -0.10 -0.12 0.00 0.05 0.00 0.00 38.32 38.18 3kir h ASN 43 CO -0.01 0.45 -0.40 0.25 -1.65 0.00 0.00 177.43 176.07 3kir h LEU 44 N 0.30 -1.39 -1.12 1.61 5.85 0.15 0.40 115.31 121.12 3kir h LEU 44 Ca 0.09 0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.99 3kir h LEU 44 Cb 0.18 0.67 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3kir h LEU 44 CO -0.01 -0.31 -0.39 0.07 -0.34 0.00 0.00 178.44 177.47 3kir h LYS 45 N -0.15 0.00 0.00 1.25 2.10 -0.65 -1.47 116.57 117.65 3kir h LYS 45 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 3kir h LYS 45 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 3kir h LYS 45 CO -0.76 0.39 0.00 0.00 -2.00 0.00 0.00 179.45 177.08 3kir h ALA 46 N 1.61 1.00 0.07 0.07 0.00 -0.03 -1.98 119.26 120.00 3kir h ALA 46 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kir h ALA 46 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3kir h ALA 46 CO 0.05 0.00 -0.03 1.25 0.00 0.00 0.00 179.25 180.52 3kir h LEU 47 N 0.00 -0.08 -1.81 0.00 5.85 0.47 -3.23 115.31 116.50 3kir h LEU 47 Ca 0.00 -0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.87 3kir h LEU 47 Cb 0.38 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3kir h LEU 47 CO 0.00 0.41 0.60 -0.08 -0.34 0.00 0.00 178.44 179.03 3kir h GLU 48 N -1.02 0.00 -0.21 1.25 4.81 -1.29 0.44 114.58 118.55 3kir h GLU 48 Ca -0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3kir h GLU 48 Cb 0.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3kir h GLU 48 CO 0.02 0.00 0.08 0.00 -0.73 0.00 0.00 179.01 178.38 3kir h ALA 49 N 1.32 0.27 -0.05 2.92 0.00 -1.40 -2.08 119.26 120.23 3kir h ALA 49 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kir h ALA 49 Cb 1.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3kir h ALA 49 CO -0.00 -0.13 0.00 -2.13 0.00 0.00 0.00 179.25 176.99 3kir n ARG 50 N -4.81 1.20 -0.10 0.00 0.63 0.15 -2.60 116.66 111.12 3kir n ARG 50 Ca -0.04 -0.30 -0.24 0.00 -0.92 0.00 0.00 57.85 56.35 3kir n ARG 50 Cb 0.13 -1.28 -0.11 0.00 0.45 0.00 0.00 32.46 31.65 3kir n ARG 50 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3kir n ILE 51 N -0.45 1.56 1.72 5.15 2.08 -0.87 -3.87 119.36 124.68 3kir n ILE 51 Ca 0.13 -0.34 0.05 0.00 0.56 0.00 0.00 62.75 63.15 3kir n ILE 51 Cb 0.13 -1.84 0.25 0.00 -0.75 0.00 0.00 39.64 37.43 3kir n ILE 51 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3kir n ARG 52 N -4.04 1.23 -0.05 0.38 1.74 -0.83 -2.52 116.66 112.57 3kir n ARG 52 Ca -0.42 -0.35 0.03 0.00 -0.77 0.00 0.00 57.85 56.34 3kir n ARG 52 Cb 0.86 -1.19 0.06 0.00 -1.02 0.00 0.00 32.46 31.16 3kir n ARG 52 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kir n ALA 53 N -0.32 2.25 0.00 7.54 0.00 -1.07 -3.73 120.51 125.18 3kir n ALA 53 Ca 0.09 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3kir n ALA 53 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.35 3kir n ALA 53 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3kir n GLN 54 N 0.14 3.01 -0.10 0.00 7.27 -1.15 -4.51 117.38 122.04 3kir n GLN 54 Ca 0.05 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.95 3kir n GLN 54 Cb 0.26 -0.64 -0.07 0.00 2.41 0.00 0.00 30.24 32.20 3kir n GLN 54 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kir n ALA 55 N -0.86 0.83 0.47 1.69 0.00 -1.05 -2.98 120.51 118.61 3kir n ALA 55 Ca 0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 53.44 52.68 3kir n ALA 55 Cb 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 19.45 19.38 3kir n ALA 55 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3kir n LYS 56 N -4.43 1.33 0.00 0.00 4.81 -1.24 -1.11 118.16 117.51 3kir n LYS 56 Ca -0.29 -0.72 0.00 0.00 -0.87 0.00 0.00 58.31 56.43 3kir n LYS 56 Cb 0.60 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 34.35 3kir n LYS 56 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3kir n ARG 57 N 0.11 2.02 0.00 1.64 0.63 -1.26 -4.59 116.66 115.21 3kir n ARG 57 Ca 0.14 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.19 3kir n ARG 57 Cb 0.77 -0.75 0.16 0.00 0.45 0.00 0.00 32.46 33.09 3kir n ARG 57 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3kir n LEU 58 N -1.23 0.84 -1.95 6.15 0.00 -0.88 -3.39 117.00 116.54 3kir n LEU 58 Ca 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 56.01 55.70 3kir n LEU 58 Cb 0.24 -0.14 0.27 0.00 0.00 0.00 0.00 43.42 43.78 3kir n LEU 58 CO 0.00 0.19 1.02 0.00 0.00 0.00 0.00 177.39 178.60 3kir n ALA 59 N -1.24 4.55 0.00 1.96 0.00 -0.27 -2.90 120.51 122.61 3kir n ALA 59 Ca 0.07 -2.19 0.00 0.00 0.00 0.00 0.00 53.44 51.32 3kir n ALA 59 Cb 0.35 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3kir n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kir n GLU 60 N -0.21 3.88 -0.12 0.00 2.13 -1.22 -4.18 120.64 120.92 3kir n GLU 60 Ca 0.40 0.00 0.07 0.00 0.66 0.00 0.00 57.16 58.29 3kir n GLU 60 Cb 1.34 -0.54 0.13 0.00 0.27 0.00 0.00 31.44 32.64 3kir n GLU 60 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3kir n ARG 61 N -0.38 1.94 -0.52 5.31 5.12 -1.23 -3.65 116.66 123.25 3kir n ARG 61 Ca 0.00 -1.77 0.00 0.00 -1.93 0.00 0.00 57.85 54.15 3kir n ARG 61 Cb 0.00 -1.30 -0.00 0.00 -1.16 0.00 0.00 32.46 30.00 3kir n ARG 61 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3kir n LYS 62 N 0.75 0.00 0.00 5.56 4.81 -1.14 -4.47 118.16 123.66 3kir n LYS 62 Ca 0.11 -0.68 0.00 0.00 -0.87 0.00 0.00 58.31 56.87 3kir n LYS 62 Cb 0.41 -0.31 0.00 0.00 0.02 0.00 0.00 35.03 35.15 3kir n LYS 62 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kir n ALA 63 N 0.01 1.74 -0.04 3.14 0.00 -1.26 -4.58 120.51 119.51 3kir n ALA 63 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 3kir n ALA 63 Cb 0.64 0.13 -0.13 0.00 0.00 0.00 0.00 19.45 20.09 3kir n ALA 63 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kir n GLU 64 N -1.53 0.71 0.00 0.00 4.07 -1.24 -3.73 120.64 118.93 3kir n GLU 64 Ca 0.00 0.22 0.05 0.00 -0.06 0.00 0.00 57.16 57.37 3kir n GLU 64 Cb 0.26 -1.65 0.28 0.00 -0.06 0.00 0.00 31.44 30.27 3kir n GLU 64 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kir n ALA 65 N -3.02 1.77 1.03 4.31 0.00 -1.26 -0.88 120.51 122.46 3kir n ALA 65 Ca -0.35 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.14 3kir n ALA 65 Cb 1.04 -1.17 0.07 0.00 0.00 0.00 0.00 19.45 19.39 3kir n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kir n GLU 66 N -1.13 0.36 0.04 0.00 -0.58 -1.24 -3.80 120.64 114.28 3kir n GLU 66 Ca 0.06 -0.27 -0.20 0.00 -0.42 0.00 0.00 57.16 56.34 3kir n GLU 66 Cb 0.06 -1.49 -0.14 0.00 -0.57 0.00 0.00 31.44 29.29 3kir n GLU 66 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kir h ARG 67 N 0.66 0.27 0.00 3.49 3.08 -1.18 -3.14 114.38 117.56 3kir h ARG 67 Ca 0.00 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3kir h ARG 67 Cb 0.55 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3kir h ARG 67 CO 0.00 1.22 0.25 1.25 -1.07 0.00 0.00 179.97 181.62 3kir h LEU 68 N -0.42 0.00 0.11 3.04 6.46 -1.65 0.37 115.31 123.21 3kir h LEU 68 Ca -0.14 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.61 3kir h LEU 68 Cb 1.60 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.53 3kir h LEU 68 CO 0.13 0.00 -0.05 0.50 -0.62 0.00 0.00 178.44 178.40 3kir h LYS 69 N 0.00 -0.14 -3.68 1.25 3.64 -1.65 -3.11 116.57 112.88 3kir h LYS 69 Ca 0.00 0.01 -0.76 0.00 -1.27 0.00 0.00 60.65 58.63 3kir h LYS 69 Cb 0.50 0.03 -0.17 0.00 -0.41 0.00 0.00 32.23 32.18 3kir h LYS 69 CO 0.00 0.31 1.78 0.39 -2.27 0.00 0.00 179.45 179.65 3kir n GLU 70 N -4.84 3.65 0.00 1.90 1.02 0.13 -3.72 120.64 118.78 3kir n GLU 70 Ca -0.07 -3.69 0.00 0.00 -0.02 0.00 0.00 57.16 53.39 3kir n GLU 70 Cb 0.25 -2.90 0.00 0.00 -0.02 0.00 0.00 31.44 28.77 3kir n GLU 70 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3kir n ILE 71 N 3.37 0.00 -1.65 -3.67 5.41 -1.22 -4.93 119.36 116.67 3kir n ILE 71 Ca 0.38 0.00 0.02 0.00 1.00 0.00 0.00 62.75 64.14 3kir n ILE 71 Cb 0.37 0.00 0.18 0.00 -0.71 0.00 0.00 39.64 39.49 3kir n ILE 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kir n LEU 72 N 0.00 3.06 -0.02 1.39 -0.00 -1.17 -3.75 117.00 116.50 3kir n LEU 72 Ca 0.00 -4.02 -0.02 0.00 -0.00 0.00 0.00 56.01 51.97 3kir n LEU 72 Cb 0.00 -0.51 -0.02 0.00 -0.00 0.00 0.00 43.42 42.89 3kir n LEU 72 CO 0.00 1.50 -0.62 -1.84 -0.00 0.00 0.00 177.39 176.42 3kir n GLU 73 N -1.07 1.67 -0.02 1.47 0.28 -1.24 -4.61 120.64 117.11 3kir n GLU 73 Ca 0.23 0.01 -0.01 0.00 -0.16 0.00 0.00 57.16 57.23 3kir n GLU 73 Cb 0.74 -1.08 -0.00 0.00 1.43 0.00 0.00 31.44 32.52 3kir n GLU 73 CO 0.00 0.00 0.00 -2.95 -0.16 0.00 0.00 177.13 174.02 3kir h ASN 74 N 0.00 0.00 0.00 -1.84 -0.00 -1.81 -3.37 115.58 108.56 3kir h ASN 74 Ca -0.09 0.00 -0.53 0.00 -0.00 0.00 0.00 56.30 55.68 3kir h ASN 74 Cb 1.17 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 39.51 3kir h ASN 74 CO -0.01 0.24 2.86 0.18 -0.00 0.00 0.00 177.43 180.70 3kir n LEU 75 N -3.06 5.75 0.00 6.14 4.32 -1.25 -4.86 117.00 124.04 3kir n LEU 75 Ca -0.02 -3.32 0.00 0.00 -0.02 0.00 0.00 56.01 52.65 3kir n LEU 75 Cb 0.06 -1.25 0.00 0.00 -1.62 0.00 0.00 43.42 40.61 3kir n LEU 75 CO 0.03 0.77 0.00 1.07 -1.22 0.00 0.00 177.39 178.04 3kir n THR 76 N 4.52 0.00 -2.46 -5.08 5.66 -1.26 -4.69 114.28 110.98 3kir n THR 76 Ca 0.53 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 61.11 3kir n THR 76 Cb 0.23 -0.25 -0.03 0.00 -1.55 0.00 0.00 70.33 68.73 3kir n THR 76 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3kir s LEU 77 N 0.00 4.38 -0.49 1.09 0.20 -1.26 -5.04 118.68 117.57 3kir s LEU 77 Ca 0.00 1.98 0.03 0.00 0.69 0.00 0.00 54.13 56.83 3kir s LEU 77 Cb 0.00 -3.58 0.15 0.00 -0.43 0.00 0.00 46.19 42.33 3kir s LEU 77 CO 0.00 -0.43 0.32 -0.89 -0.29 0.00 0.00 176.35 175.07 3kir s THR 78 N 0.95 1.35 -0.32 3.68 2.01 -1.26 -4.60 115.64 117.44 3kir s THR 78 Ca 0.57 -2.92 -0.15 0.00 0.31 0.00 0.00 61.69 59.50 3kir s THR 78 Cb -0.28 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 3kir s THR 78 CO 0.30 -1.03 0.38 -0.63 -0.69 0.00 0.00 174.62 172.95 3kir s ILE 79 N -0.10 5.15 -1.28 1.82 -1.09 -1.26 -5.00 121.20 119.45 3kir s ILE 79 Ca 0.24 0.24 -0.12 0.00 -2.23 0.00 0.00 60.65 58.78 3kir s ILE 79 Cb -0.12 -3.80 0.15 0.00 -1.58 0.00 0.00 42.46 37.11 3kir s ILE 79 CO -0.09 -0.03 1.76 -0.81 -1.23 0.00 0.00 174.94 174.54 3kir n PRO 80 N 5.41 3.43 -1.76 2.79 -0.04 -1.26 -4.09 135.00 139.48 3kir n PRO 80 Ca -0.08 -3.52 -0.20 0.00 -0.04 0.00 0.00 63.50 59.65 3kir n PRO 80 Cb 0.50 -3.04 0.13 0.00 -0.04 0.00 0.00 33.50 31.04 3kir n PRO 80 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3kir n VAL 81 N 4.14 0.00 -4.53 0.52 3.14 -1.26 -5.06 118.33 115.27 3kir n VAL 81 Ca 0.41 -0.96 -0.32 0.00 -2.96 0.00 0.00 64.34 60.50 3kir n VAL 81 Cb 0.39 -1.34 -0.16 0.00 -1.06 0.00 0.00 33.84 31.67 3kir n VAL 81 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3kir s ARG 82 N -4.88 2.90 0.00 1.45 0.52 -1.26 -4.51 118.95 113.18 3kir s ARG 82 Ca 0.55 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 3kir s ARG 82 Cb -0.02 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 33.06 3kir s ARG 82 CO 0.37 -0.06 0.00 0.00 0.02 0.00 0.00 175.30 175.63 3kir n ALA 83 N 4.20 0.00 0.00 2.13 0.00 -1.26 -1.53 120.51 124.05 3kir n ALA 83 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3kir n ALA 83 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3kir n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kir n GLY 84 N 0.00 0.72 0.00 0.00 0.00 -1.26 -1.51 105.19 103.14 3kir n GLY 84 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3kir n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kir n GLU 85 N 0.00 0.00 -0.58 1.61 0.00 -1.26 -4.94 120.64 115.46 3kir n GLU 85 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 3kir n GLU 85 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.43 3kir n GLU 85 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 3kir n THR 86 N 0.00 0.00 -3.15 6.31 5.66 -1.26 -4.84 114.28 117.00 3kir n THR 86 Ca 0.00 -0.03 0.06 0.00 -3.05 0.00 0.00 64.05 61.02 3kir n THR 86 Cb 0.00 0.20 -0.00 0.00 -1.55 0.00 0.00 70.33 68.98 3kir n THR 86 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 3kir s LYS 87 N 0.00 0.05 0.46 1.09 2.20 -1.26 -3.44 119.74 118.83 3kir s LYS 87 Ca 0.01 0.05 -0.10 0.00 -0.36 0.00 0.00 55.97 55.57 3kir s LYS 87 Cb 0.01 0.02 -0.09 0.00 -1.51 0.00 0.00 37.83 36.27 3kir s LYS 87 CO -0.01 -0.08 -0.30 -0.89 -0.36 0.00 0.00 175.35 173.71 3kir n ILE 88 N 5.06 0.00 -2.15 5.43 5.41 -1.26 -4.77 119.36 127.08 3kir n ILE 88 Ca 0.10 -0.29 -0.37 0.00 1.00 0.00 0.00 62.75 63.18 3kir n ILE 88 Cb 0.58 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 39.54 3kir n ILE 88 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3kir n TYR 89 N -1.20 3.07 0.00 1.39 4.02 -0.58 -4.10 117.16 119.76 3kir n TYR 89 Ca 0.01 -2.56 0.00 0.00 -0.01 0.00 0.00 57.90 55.35 3kir n TYR 89 Cb 0.30 -0.96 0.00 0.00 -0.02 0.00 0.00 39.34 38.66 3kir n TYR 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kir n GLY 90 N -0.46 -0.28 7.00 2.72 0.00 -1.26 -4.76 105.19 108.16 3kir n GLY 90 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 3kir n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kir n SER 91 N 0.00 -0.04 -3.65 1.61 3.41 -1.26 -4.90 113.62 108.80 3kir n SER 91 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 3kir n SER 91 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 3kir n SER 91 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3kir s VAL 92 N 0.00 0.00 0.32 -3.33 0.11 -1.26 -4.93 120.40 111.31 3kir s VAL 92 Ca 0.00 -0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 58.90 3kir s VAL 92 Cb 0.00 -0.90 0.02 0.00 -1.53 0.00 0.00 36.38 33.97 3kir s VAL 92 CO 0.00 -0.00 0.66 0.42 -3.33 0.00 0.00 175.10 172.85 3kir s THR 93 N 0.27 0.00 0.54 5.04 -4.23 -1.26 -3.19 115.64 112.81 3kir s THR 93 Ca -0.01 -1.17 0.33 0.00 -1.18 0.00 0.00 61.69 59.66 3kir s THR 93 Cb -0.04 -2.44 0.33 0.00 1.34 0.00 0.00 72.50 71.69 3kir s THR 93 CO 0.01 0.00 2.01 0.00 -0.54 0.00 0.00 174.62 176.11 3kir h ALA 94 N 2.07 1.18 0.00 3.99 0.00 -1.88 1.86 119.26 126.47 3kir h ALA 94 Ca -0.26 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3kir h ALA 94 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3kir h ALA 94 CO 0.34 -0.18 -0.04 0.87 0.00 0.00 0.00 179.25 180.24 3kir h LYS 95 N 0.00 0.00 0.00 0.00 1.57 -1.93 0.51 116.57 116.72 3kir h LYS 95 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kir h LYS 95 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3kir h LYS 95 CO 0.00 0.04 -0.00 -0.25 -0.57 0.00 0.00 179.45 178.67 3kir n ASP 96 N -3.79 0.00 -0.25 0.86 8.00 0.53 -4.26 116.55 117.64 3kir n ASP 96 Ca -0.03 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.43 3kir n ASP 96 Cb 0.13 -0.30 0.01 0.00 -0.02 0.00 0.00 41.12 40.94 3kir n ASP 96 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3kir h ILE 97 N -0.00 0.11 0.36 0.53 2.04 0.15 0.17 117.51 120.88 3kir h ILE 97 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 3kir h ILE 97 Cb 0.00 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 3kir h ILE 97 CO 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 178.15 177.98 3kir h ALA 98 N 1.02 -0.63 -1.77 1.87 0.00 -1.01 -2.97 119.26 115.76 3kir h ALA 98 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kir h ALA 98 Cb 0.56 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3kir h ALA 98 CO -0.76 -0.59 0.00 -1.91 0.00 0.00 0.00 179.25 175.98 3kir n GLU 99 N -4.30 0.00 -0.26 0.00 0.00 0.15 -1.39 120.64 114.85 3kir n GLU 99 Ca -0.06 0.23 -0.03 0.00 0.00 0.00 0.00 57.16 57.30 3kir n GLU 99 Cb 0.19 -0.52 0.03 0.00 0.00 0.00 0.00 31.44 31.14 3kir n GLU 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kir h ALA 100 N -1.31 0.10 -0.77 4.31 0.00 -0.85 0.27 119.26 121.01 3kir h ALA 100 Ca 0.00 0.22 0.31 0.00 0.00 0.00 0.00 54.91 55.44 3kir h ALA 100 Cb 0.00 0.81 -0.14 0.00 0.00 0.00 0.00 17.79 18.46 3kir h ALA 100 CO 0.00 -0.62 0.37 -0.11 0.00 0.00 0.00 179.25 178.90 3kir n LEU 101 N -5.46 0.23 -0.25 0.00 7.94 -0.49 -0.38 117.00 118.60 3kir n LEU 101 Ca 0.07 1.28 0.05 0.00 -1.11 0.00 0.00 56.01 56.30 3kir n LEU 101 Cb 0.37 -0.61 0.16 0.00 0.53 0.00 0.00 43.42 43.87 3kir n LEU 101 CO -0.03 -1.42 0.83 0.28 -1.11 0.00 0.00 177.39 175.94 3kir h SER 102 N 0.00 -0.32 0.97 1.96 0.02 -0.37 -3.10 113.55 112.71 3kir h SER 102 Ca 0.63 0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 61.73 3kir h SER 102 Cb 1.65 0.33 0.01 0.00 0.14 0.00 0.00 62.40 64.53 3kir h SER 102 CO -0.61 -0.17 -0.46 0.03 -1.14 0.00 0.00 176.83 174.48 3kir h ARG 103 N 0.11 -1.25 0.00 3.45 -0.00 -0.89 0.19 114.38 116.00 3kir h ARG 103 Ca 0.41 0.09 0.00 0.00 -0.50 0.00 0.00 59.98 59.97 3kir h ARG 103 Cb 0.72 0.28 0.00 0.00 0.00 0.00 0.00 29.97 30.97 3kir h ARG 103 CO -0.65 -0.83 0.00 0.94 0.00 0.00 0.00 179.97 179.43 3kir n GLN 104 N -5.63 0.00 -1.38 0.04 7.27 -1.17 -2.50 117.38 114.02 3kir n GLN 104 Ca -0.16 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 56.91 3kir n GLN 104 Cb 0.51 0.00 0.01 0.00 2.41 0.00 0.00 30.24 33.17 3kir n GLN 104 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 177.06 174.74 3kir n HIS 105 N -1.57 -0.17 -1.49 3.69 1.44 -1.26 -5.04 115.22 110.82 3kir n HIS 105 Ca 0.00 -0.15 0.00 0.00 -2.01 0.00 0.00 57.72 55.56 3kir n HIS 105 Cb 0.00 0.57 0.00 0.00 0.12 0.00 0.00 29.99 30.68 3kir n HIS 105 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kir n GLY 106 N -0.13 -0.48 3.07 -1.39 0.00 -0.47 -5.07 105.19 100.72 3kir n GLY 106 Ca -0.02 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3kir n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kir s VAL 107 N -2.00 2.42 0.30 1.61 1.01 0.54 -5.02 120.40 119.28 3kir s VAL 107 Ca 0.00 -1.93 -0.28 0.00 0.00 0.00 0.00 61.98 59.77 3kir s VAL 107 Cb 0.00 -2.59 -0.09 0.00 0.00 0.00 0.00 36.38 33.70 3kir s VAL 107 CO 0.00 -0.33 1.07 -0.89 0.00 0.00 0.00 175.10 174.95 3kir s THR 108 N 1.04 3.61 0.13 3.92 2.01 -1.26 -2.85 115.64 122.24 3kir s THR 108 Ca 0.01 1.54 -0.01 0.00 0.31 0.00 0.00 61.69 63.53 3kir s THR 108 Cb -0.20 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.37 3kir s THR 108 CO -0.06 0.31 0.20 -0.38 -0.69 0.00 0.00 174.62 174.00 3kir n ILE 109 N 0.98 0.00 -3.96 1.82 -0.00 -1.26 -5.03 119.36 111.91 3kir n ILE 109 Ca -0.00 -0.60 -0.10 0.00 -0.00 0.00 0.00 62.75 62.06 3kir n ILE 109 Cb 0.46 0.39 -0.12 0.00 -0.00 0.00 0.00 39.64 40.38 3kir n ILE 109 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 3kir s ASP 110 N -1.78 0.20 0.26 4.38 1.01 -1.26 -5.07 116.67 114.41 3kir s ASP 110 Ca 0.10 -0.40 0.25 0.00 0.71 0.00 0.00 52.55 53.20 3kir s ASP 110 Cb -0.01 0.08 0.95 0.00 1.01 0.00 0.00 42.92 44.95 3kir s ASP 110 CO 0.07 -0.24 1.74 1.55 0.21 0.00 0.00 175.17 178.50 3kir h PRO 111 N 4.94 0.00 0.00 8.23 0.13 -2.01 -3.34 132.00 139.96 3kir h PRO 111 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3kir h PRO 111 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3kir h PRO 111 CO 0.43 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.83 3kir n LYS 112 N -2.30 0.00 -3.08 0.86 5.02 -1.26 -4.46 118.16 112.95 3kir n LYS 112 Ca 0.03 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.90 3kir n LYS 112 Cb 0.29 -0.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.91 3kir n LYS 112 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3kir n ARG 113 N 0.00 4.22 0.00 1.97 0.63 -1.25 -4.60 116.66 117.63 3kir n ARG 113 Ca 0.00 -4.56 0.00 0.00 -0.92 0.00 0.00 57.85 52.37 3kir n ARG 113 Cb 0.23 -2.49 0.00 0.00 0.45 0.00 0.00 32.46 30.64 3kir n ARG 113 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3kir n LEU 114 N 1.40 0.00 0.00 6.15 4.77 -1.26 -4.58 117.00 123.48 3kir n LEU 114 Ca 0.26 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3kir n LEU 114 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3kir n LEU 114 CO 0.67 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.73 3kir n ALA 115 N -1.03 0.14 -1.61 -1.18 0.00 -1.19 -3.68 120.51 111.96 3kir n ALA 115 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 3kir n ALA 115 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3kir n ALA 115 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3kir n LEU 116 N 0.00 2.10 0.00 0.00 7.94 -1.26 -4.92 117.00 120.86 3kir n LEU 116 Ca 0.00 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 3kir n LEU 116 Cb 0.10 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 42.74 3kir n LEU 116 CO 0.00 -1.17 0.00 -0.62 -1.11 0.00 0.00 177.39 174.49 3kir n GLU 117 N 1.02 0.00 -2.06 1.96 1.02 -1.26 -5.03 120.64 116.29 3kir n GLU 117 Ca 0.10 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.96 3kir n GLU 117 Cb 0.31 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.80 3kir n GLU 117 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3kir s LYS 118 N 2.72 2.35 -0.62 3.49 2.20 -1.26 -5.01 119.74 123.62 3kir s LYS 118 Ca 0.00 0.06 -0.21 0.00 -0.36 0.00 0.00 55.97 55.46 3kir s LYS 118 Cb 0.00 -2.08 0.08 0.00 -1.51 0.00 0.00 37.83 34.33 3kir s LYS 118 CO 0.00 -1.25 0.83 -1.25 -0.36 0.00 0.00 175.35 173.32 3kir s PRO 119 N -5.35 3.09 0.00 4.03 0.04 -1.26 -4.89 135.00 130.66 3kir s PRO 119 Ca 0.59 -1.04 0.00 0.00 0.04 0.00 0.00 61.00 60.59 3kir s PRO 119 Cb -0.11 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.20 3kir s PRO 119 CO 0.48 -1.65 0.00 -0.89 0.04 0.00 0.00 177.00 174.97 3kir n ILE 120 N 5.74 0.00 -2.67 0.56 -0.00 -1.19 -4.32 119.36 117.49 3kir n ILE 120 Ca -0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.60 3kir n ILE 120 Cb 0.44 0.00 0.02 0.00 -0.00 0.00 0.00 39.64 40.10 3kir n ILE 120 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 3kir n LYS 121 N 0.00 -2.26 -3.21 0.38 4.01 -1.26 -4.96 118.16 110.86 3kir n LYS 121 Ca 0.00 0.34 0.04 0.00 -0.51 0.00 0.00 58.31 58.18 3kir n LYS 121 Cb 0.00 -3.98 -0.03 0.00 -0.51 0.00 0.00 35.03 30.50 3kir n LYS 121 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 3kir s GLU 122 N -5.14 0.09 0.62 1.97 -6.30 -1.26 -4.69 118.70 103.99 3kir s GLU 122 Ca 0.15 0.21 -0.18 0.00 -2.50 0.00 0.00 54.97 52.65 3kir s GLU 122 Cb -0.07 0.13 -0.03 0.00 0.00 0.00 0.00 34.13 34.16 3kir s GLU 122 CO 0.19 -0.05 1.10 -0.11 0.02 0.00 0.00 175.26 176.41 3kir n LEU 123 N 4.90 4.69 0.00 2.70 0.00 -1.22 -4.67 117.00 123.40 3kir n LEU 123 Ca -0.07 0.82 0.00 0.00 0.00 0.00 0.00 56.01 56.75 3kir n LEU 123 Cb 0.55 -1.46 0.00 0.00 0.00 0.00 0.00 43.42 42.51 3kir n LEU 123 CO -0.08 -1.49 0.00 0.61 0.00 0.00 0.00 177.39 176.43 3kir n GLY 124 N 1.13 0.46 3.07 -3.96 0.00 -1.26 -4.85 105.19 99.77 3kir n GLY 124 Ca 0.15 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 3kir n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kir s GLU 125 N -2.00 2.37 0.23 1.61 0.41 -1.26 -3.79 118.70 116.27 3kir s GLU 125 Ca 0.00 -1.16 0.11 0.00 -0.41 0.00 0.00 54.97 53.51 3kir s GLU 125 Cb 0.00 -2.75 -0.05 0.00 -1.78 0.00 0.00 34.13 29.55 3kir s GLU 125 CO 0.00 -0.47 -0.19 0.71 -0.49 0.00 0.00 175.26 174.82 3kir s TYR 126 N 1.19 2.36 -0.07 1.61 4.12 -1.26 -5.05 117.35 120.25 3kir s TYR 126 Ca -0.05 -0.32 -0.03 0.00 0.02 0.00 0.00 57.07 56.69 3kir s TYR 126 Cb -0.18 -1.11 0.04 0.00 -1.52 0.00 0.00 41.96 39.19 3kir s TYR 126 CO -0.07 0.59 0.15 0.08 0.02 0.00 0.00 175.55 176.32 3kir s VAL 127 N -2.02 -0.04 -0.02 0.71 1.01 -1.26 -1.88 120.40 116.89 3kir s VAL 127 Ca 0.25 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.41 3kir s VAL 127 Cb -0.07 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.08 3kir s VAL 127 CO 0.13 0.07 -0.04 -0.76 0.00 0.00 0.00 175.10 174.49 3kir s LEU 128 N 1.08 1.61 0.67 3.92 2.01 -1.15 -5.01 118.68 121.80 3kir s LEU 128 Ca -0.08 -0.10 -0.08 0.00 0.01 0.00 0.00 54.13 53.88 3kir s LEU 128 Cb -0.11 -0.35 0.03 0.00 0.01 0.00 0.00 46.19 45.78 3kir s LEU 128 CO -0.06 -0.01 1.00 -0.89 1.01 0.00 0.00 176.35 177.41 3kir s THR 129 N 0.46 3.14 0.38 5.49 2.01 -1.26 -4.07 115.64 121.79 3kir s THR 129 Ca -0.05 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 61.97 3kir s THR 129 Cb -0.09 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 3kir s THR 129 CO -0.00 -0.36 0.65 -0.47 -0.69 0.00 0.00 174.62 173.75 3kir s TYR 130 N -3.20 3.51 0.09 4.92 5.04 -0.82 -3.18 117.35 123.71 3kir s TYR 130 Ca 0.57 0.65 -0.14 0.00 -2.44 0.00 0.00 57.07 55.71 3kir s TYR 130 Cb -0.11 -2.14 0.02 0.00 0.35 0.00 0.00 41.96 40.09 3kir s TYR 130 CO 0.47 -0.02 0.33 -1.59 -1.34 0.00 0.00 175.55 173.40 3kir s LYS 131 N -4.21 0.94 0.00 4.97 -2.85 -1.24 -4.03 119.74 113.32 3kir s LYS 131 Ca 0.45 -0.68 0.00 0.00 -1.00 0.00 0.00 55.97 54.74 3kir s LYS 131 Cb -0.10 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.07 3kir s LYS 131 CO 0.37 -0.33 0.00 -0.35 0.10 0.00 0.00 175.35 175.13 3kir n PRO 132 N 0.08 3.14 -0.12 1.78 -0.04 -1.26 -4.77 135.00 133.81 3kir n PRO 132 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 3kir n PRO 132 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 3kir n PRO 132 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3kir n HIS 133 N 0.00 0.00 -1.45 0.54 1.44 -1.26 -1.99 115.22 112.50 3kir n HIS 133 Ca 0.00 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.62 3kir n HIS 133 Cb 0.00 0.00 0.19 0.00 0.12 0.00 0.00 29.99 30.30 3kir n HIS 133 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3kir n PRO 134 N 0.45 1.98 -0.38 -1.40 -0.04 -1.26 -4.92 135.00 129.43 3kir n PRO 134 Ca 0.00 -3.22 0.00 0.00 -0.04 0.00 0.00 63.50 60.24 3kir n PRO 134 Cb 0.00 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 3kir n PRO 134 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3kir n GLU 135 N -1.11 0.00 -4.24 0.54 0.28 -0.84 -5.01 120.64 110.25 3kir n GLU 135 Ca 0.38 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 57.19 3kir n GLU 135 Cb 1.11 -0.38 -0.16 0.00 1.43 0.00 0.00 31.44 33.45 3kir n GLU 135 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3kir s VAL 136 N -2.56 0.60 0.63 3.84 0.11 -1.26 -5.01 120.40 116.75 3kir s VAL 136 Ca 0.00 -0.21 -0.13 0.00 -2.93 0.00 0.00 61.98 58.71 3kir s VAL 136 Cb 0.00 -0.58 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 3kir s VAL 136 CO 0.00 0.22 1.04 -2.16 -3.33 0.00 0.00 175.10 170.87 3kir s PRO 137 N 0.55 3.29 -0.27 1.54 0.04 -1.26 -1.95 135.00 136.93 3kir s PRO 137 Ca -0.08 1.00 -0.24 0.00 0.04 0.00 0.00 61.00 61.72 3kir s PRO 137 Cb -0.11 -2.04 0.09 0.00 0.04 0.00 0.00 34.50 32.48 3kir s PRO 137 CO 0.00 -0.82 0.80 0.42 0.04 0.00 0.00 177.00 177.44 3kir s ILE 138 N -2.84 0.00 0.00 0.56 1.01 -1.26 -4.12 121.20 114.56 3kir s ILE 138 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.24 3kir s ILE 138 Cb -0.14 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.33 3kir s ILE 138 CO 0.46 0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.40 3kir n GLN 139 N 2.76 3.34 -3.64 2.79 6.02 -1.26 -2.96 117.38 124.42 3kir n GLN 139 Ca -0.14 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.69 3kir n GLN 139 Cb 0.56 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.74 3kir n GLN 139 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3kir s LEU 140 N 0.00 -0.02 -0.56 1.08 0.20 -0.79 -4.65 118.68 113.94 3kir s LEU 140 Ca 0.00 0.62 0.04 0.00 0.69 0.00 0.00 54.13 55.48 3kir s LEU 140 Cb 0.00 1.95 0.14 0.00 -0.43 0.00 0.00 46.19 47.85 3kir s LEU 140 CO 0.00 -0.45 0.32 -0.54 -0.29 0.00 0.00 176.35 175.39 3kir s LYS 141 N -0.85 2.06 -1.18 1.98 -0.14 -1.26 -4.29 119.74 116.07 3kir s LYS 141 Ca -0.09 -2.78 -0.17 0.00 -1.36 0.00 0.00 55.97 51.58 3kir s LYS 141 Cb -0.03 -3.30 -0.05 0.00 -1.68 0.00 0.00 37.83 32.78 3kir s LYS 141 CO 0.06 -1.16 2.15 0.28 -0.76 0.00 0.00 175.35 175.92 3kir n VAL 142 N 2.84 2.83 -0.33 3.17 0.31 -1.25 -4.36 118.33 121.55 3kir n VAL 142 Ca 0.09 -2.38 -0.11 0.00 -0.01 0.00 0.00 64.34 61.94 3kir n VAL 142 Cb 0.33 -2.48 0.10 0.00 -0.91 0.00 0.00 33.84 30.88 3kir n VAL 142 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kir n SER 143 N 6.41 -2.44 -3.89 4.52 7.64 -1.26 -4.55 113.62 120.05 3kir n SER 143 Ca 0.52 -0.30 -0.10 0.00 1.01 0.00 0.00 58.87 60.00 3kir n SER 143 Cb 0.38 -0.51 -0.09 0.00 -1.01 0.00 0.00 64.21 62.97 3kir n SER 143 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kir s VAL 144 N -1.55 0.10 -1.29 0.44 1.01 -1.26 -4.40 120.40 113.45 3kir s VAL 144 Ca 0.23 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.46 3kir s VAL 144 Cb -0.04 -0.64 0.08 0.00 0.00 0.00 0.00 36.38 35.78 3kir s VAL 144 CO 0.19 -0.47 0.83 1.33 0.00 0.00 0.00 175.10 176.98