#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir n LYS 3 N 0.00 -2.15 -0.97 0.54 4.81 -1.26 -4.96 118.16 114.18 3kir n LYS 3 Ca 0.00 1.89 -0.31 0.00 -0.87 0.00 0.00 58.31 59.01 3kir n LYS 3 Cb 0.00 -3.00 0.13 0.00 0.02 0.00 0.00 35.03 32.18 3kir n LYS 3 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kir s MET 4 N -0.83 1.55 0.18 1.64 0.00 -1.26 -5.03 119.30 115.55 3kir s MET 4 Ca -0.12 1.45 0.05 0.00 0.00 0.00 0.00 55.69 57.06 3kir s MET 4 Cb 0.01 -1.80 -0.04 0.00 0.00 0.00 0.00 34.83 33.01 3kir s MET 4 CO 0.39 -2.22 0.20 0.15 0.00 0.00 0.00 175.02 173.54 3kir s LYS 5 N -4.65 3.08 0.08 3.16 1.02 -1.26 -4.91 119.74 116.26 3kir s LYS 5 Ca 0.66 -0.82 -0.23 0.00 0.02 0.00 0.00 55.97 55.61 3kir s LYS 5 Cb -0.21 -2.74 -0.06 0.00 -0.52 0.00 0.00 37.83 34.29 3kir s LYS 5 CO 0.56 0.48 0.68 0.95 -0.92 0.00 0.00 175.35 177.10 3kir s THR 6 N -1.82 4.66 -0.93 2.17 -4.23 -1.26 -4.88 115.64 109.35 3kir s THR 6 Ca 0.32 1.46 -0.24 0.00 -1.18 0.00 0.00 61.69 62.05 3kir s THR 6 Cb -0.10 -4.02 -0.02 0.00 1.34 0.00 0.00 72.50 69.69 3kir s THR 6 CO 0.25 0.47 1.82 -2.28 -0.54 0.00 0.00 174.62 174.34 3kir s HIS 7 N -0.69 1.99 0.46 3.99 2.46 -1.03 -4.82 115.29 117.66 3kir s HIS 7 Ca 0.34 0.25 0.29 0.00 0.47 0.00 0.00 55.06 56.40 3kir s HIS 7 Cb -0.21 -4.22 1.36 0.00 -0.13 0.00 0.00 32.58 29.39 3kir s HIS 7 CO 0.22 -1.80 1.72 0.87 -2.47 0.00 0.00 174.74 173.27 3kir h LYS 8 N 10.93 0.17 -0.64 2.88 6.56 -1.92 0.92 116.57 135.46 3kir h LYS 8 Ca 0.12 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.67 3kir h LYS 8 Cb 1.01 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.60 3kir h LYS 8 CO 1.27 0.11 0.28 0.78 -2.06 0.00 0.00 179.45 179.83 3kir h GLY 9 N 0.17 1.00 0.28 3.86 0.00 -1.98 -1.41 103.07 104.99 3kir h GLY 9 Ca 0.69 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 3kir h GLY 9 CO -0.25 0.47 -0.02 0.00 0.00 0.00 0.00 176.54 176.75 3kir h ALA 10 N 1.39 -0.04 -0.82 3.60 0.00 -1.22 -3.26 119.26 118.90 3kir h ALA 10 Ca 0.22 -0.33 0.18 0.00 0.00 0.00 0.00 54.91 54.98 3kir h ALA 10 Cb 0.14 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.84 3kir h ALA 10 CO -0.02 -0.17 0.31 -0.22 0.00 0.00 0.00 179.25 179.15 3kir h LYS 11 N -0.76 0.38 0.00 0.00 3.64 -1.41 0.37 116.57 118.78 3kir h LYS 11 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3kir h LYS 11 Cb 0.67 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3kir h LYS 11 CO 0.01 0.25 0.00 1.63 -2.27 0.00 0.00 179.45 179.07 3kir n LYS 12 N -5.06 0.36 0.00 1.90 5.02 -0.54 -3.55 118.16 116.30 3kir n LYS 12 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3kir n LYS 12 Cb 0.53 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 3kir n LYS 12 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3kir n ARG 13 N -0.84 0.00 -4.11 1.97 1.85 0.11 -5.08 116.66 110.56 3kir n ARG 13 Ca 0.06 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.77 3kir n ARG 13 Cb 0.03 -0.26 -0.11 0.00 -1.05 0.00 0.00 32.46 31.06 3kir n ARG 13 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3kir s VAL 14 N 0.00 0.71 0.02 8.89 0.11 -0.18 -4.55 120.40 125.41 3kir s VAL 14 Ca 0.00 -1.32 0.04 0.00 -2.93 0.00 0.00 61.98 57.77 3kir s VAL 14 Cb 0.00 -0.95 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 3kir s VAL 14 CO 0.00 -0.45 -0.13 -0.75 -3.33 0.00 0.00 175.10 170.43 3kir s LYS 15 N -2.11 0.98 -0.22 1.54 2.20 -0.45 -4.66 119.74 117.01 3kir s LYS 15 Ca -0.03 -0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 54.92 3kir s LYS 15 Cb -0.07 -0.96 -0.00 0.00 -1.51 0.00 0.00 37.83 35.29 3kir s LYS 15 CO -0.00 0.25 -0.06 -1.50 -0.36 0.00 0.00 175.35 173.68 3kir s ILE 16 N -0.61 3.21 0.00 5.43 2.07 -1.26 -0.47 121.20 129.57 3kir s ILE 16 Ca 0.03 -0.59 0.00 0.00 -1.41 0.00 0.00 60.65 58.68 3kir s ILE 16 Cb -0.07 -2.48 0.00 0.00 0.13 0.00 0.00 42.46 40.05 3kir s ILE 16 CO 0.00 0.40 0.00 0.35 -1.91 0.00 0.00 174.94 173.79 3kir n THR 17 N 4.77 0.00 -0.05 4.00 -2.24 0.50 -4.89 114.28 116.37 3kir n THR 17 Ca -0.18 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 3kir n THR 17 Cb 0.50 -1.08 -0.12 0.00 -2.10 0.00 0.00 70.33 67.54 3kir n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kir h ALA 18 N -2.00 -0.01 0.00 6.98 0.00 -2.00 -3.15 119.26 119.09 3kir h ALA 18 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3kir h ALA 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kir h ALA 18 CO 0.00 -0.08 0.00 0.43 0.00 0.00 0.00 179.25 179.60 3kir n SER 19 N -4.69 0.00 -0.15 0.00 7.64 -1.26 -4.75 113.62 110.42 3kir n SER 19 Ca -0.09 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.21 3kir n SER 19 Cb 0.40 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 3kir n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kir n GLY 20 N -1.26 1.03 3.90 0.23 0.00 -1.19 -5.08 105.19 102.82 3kir n GLY 20 Ca 0.01 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 3kir n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kir s LYS 21 N -2.77 3.30 -0.35 1.61 1.02 -1.26 -4.88 119.74 116.40 3kir s LYS 21 Ca 0.00 -0.66 -0.09 0.00 0.02 0.00 0.00 55.97 55.24 3kir s LYS 21 Cb 0.00 -2.89 0.03 0.00 -0.52 0.00 0.00 37.83 34.45 3kir s LYS 21 CO 0.00 0.52 0.16 0.08 -0.92 0.00 0.00 175.35 175.19 3kir s VAL 22 N -1.73 4.31 -0.15 3.17 1.01 -1.26 -0.37 120.40 125.38 3kir s VAL 22 Ca 0.34 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 3kir s VAL 22 Cb -0.11 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 3kir s VAL 22 CO 0.27 -0.16 0.05 -0.69 0.00 0.00 0.00 175.10 174.57 3kir s VAL 23 N 1.51 4.69 0.08 2.92 1.01 0.38 -3.79 120.40 127.20 3kir s VAL 23 Ca 0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 3kir s VAL 23 Cb -0.19 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 3kir s VAL 23 CO 0.05 0.52 0.15 0.00 0.00 0.00 0.00 175.10 175.83 3kir s ALA 24 N -0.15 -0.11 0.29 5.51 0.00 -1.06 -1.35 121.76 124.89 3kir s ALA 24 Ca 0.07 -0.69 -0.29 0.00 0.00 0.00 0.00 51.96 51.04 3kir s ALA 24 Cb -0.12 0.44 -0.10 0.00 0.00 0.00 0.00 23.12 23.33 3kir s ALA 24 CO 0.01 -0.47 1.39 -1.64 0.00 0.00 0.00 175.76 175.05 3kir s MET 25 N -3.77 4.29 0.40 0.00 -1.94 -1.26 -1.24 119.30 115.77 3kir s MET 25 Ca 0.04 2.29 -0.27 0.00 -1.71 0.00 0.00 55.69 56.04 3kir s MET 25 Cb 0.05 -3.08 -0.10 0.00 2.01 0.00 0.00 34.83 33.71 3kir s MET 25 CO -0.10 -0.34 1.46 0.15 -0.01 0.00 0.00 175.02 176.18 3kir s LYS 26 N -1.10 3.98 0.10 2.03 -0.14 -1.11 -4.91 119.74 118.59 3kir s LYS 26 Ca 0.54 2.52 -0.03 0.00 -1.36 0.00 0.00 55.97 57.65 3kir s LYS 26 Cb -0.41 -2.87 -0.05 0.00 -1.68 0.00 0.00 37.83 32.81 3kir s LYS 26 CO 0.49 -0.61 0.30 0.95 -0.76 0.00 0.00 175.35 175.71 3kir s THR 27 N -1.15 5.27 0.00 2.17 -4.23 -1.26 -4.72 115.64 111.72 3kir s THR 27 Ca 0.55 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 3kir s THR 27 Cb -0.46 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 69.76 3kir s THR 27 CO 0.61 0.10 0.00 0.61 -0.54 0.00 0.00 174.62 175.40 3kir n GLY 28 N 0.23 1.74 2.62 3.99 0.00 -1.26 -5.07 105.19 107.44 3kir n GLY 28 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 3kir n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kir n LYS 29 N 0.00 1.12 -0.00 1.61 2.85 -1.26 -4.67 118.16 117.81 3kir n LYS 29 Ca 0.00 -2.56 0.06 0.00 -1.05 0.00 0.00 58.31 54.75 3kir n LYS 29 Cb 0.00 -0.84 -0.07 0.00 -0.65 0.00 0.00 35.03 33.47 3kir n LYS 29 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3kir n ARG 30 N -0.15 2.24 0.00 -1.58 5.12 -1.26 -4.81 116.66 116.21 3kir n ARG 30 Ca 0.06 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 3kir n ARG 30 Cb 0.79 -1.12 0.00 0.00 -1.16 0.00 0.00 32.46 30.97 3kir n ARG 30 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 3kir n HIS 31 N -1.49 0.00 0.19 -1.55 1.44 -1.26 -4.98 115.22 107.57 3kir n HIS 31 Ca 0.01 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.64 3kir n HIS 31 Cb 0.22 0.07 -0.04 0.00 0.12 0.00 0.00 29.99 30.37 3kir n HIS 31 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3kir h LEU 32 N 0.00 -0.42 0.00 2.39 -0.00 -1.87 -3.46 115.31 111.95 3kir h LEU 32 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3kir h LEU 32 Cb 0.29 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 3kir h LEU 32 CO 0.00 -0.23 0.00 0.59 -0.00 0.00 0.00 178.44 178.80 3kir n ASN 33 N -3.72 0.00 0.00 -0.43 5.03 -1.26 -4.69 115.26 110.19 3kir n ASN 33 Ca -0.06 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.39 3kir n ASN 33 Cb 0.19 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.95 3kir n ASN 33 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 3kir n TRP 34 N 0.00 0.00 -3.13 3.10 -0.00 -1.26 -4.95 117.44 111.20 3kir n TRP 34 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.50 57.31 3kir n TRP 34 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.26 3kir n TRP 34 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 3kir n GLN 35 N 0.00 0.46 -4.80 5.87 7.27 -1.26 -5.08 117.38 119.84 3kir n GLN 35 Ca 0.00 -2.77 -0.26 0.00 0.07 0.00 0.00 57.00 54.05 3kir n GLN 35 Cb 0.00 -1.49 -0.16 0.00 2.41 0.00 0.00 30.24 31.00 3kir n GLN 35 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3kir s LYS 36 N -0.00 1.71 0.23 3.69 1.02 -1.26 -5.10 119.74 120.03 3kir s LYS 36 Ca 0.33 -0.58 -0.30 0.00 0.02 0.00 0.00 55.97 55.43 3kir s LYS 36 Cb 0.09 -1.49 -0.15 0.00 -0.52 0.00 0.00 37.83 35.76 3kir s LYS 36 CO -0.15 0.23 1.07 -1.13 -0.92 0.00 0.00 175.35 174.45 3kir n SER 37 N 3.15 1.24 0.12 2.83 3.41 -1.26 -4.68 113.62 118.43 3kir n SER 37 Ca -0.18 1.16 0.17 0.00 -0.26 0.00 0.00 58.87 59.76 3kir n SER 37 Cb 0.53 -1.24 0.56 0.00 -0.26 0.00 0.00 64.21 63.80 3kir n SER 37 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kir h GLY 38 N 2.65 0.00 0.92 5.00 0.00 -1.99 0.93 103.07 110.58 3kir h GLY 38 Ca -0.41 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 3kir h GLY 38 CO 0.65 0.00 0.10 1.70 0.00 0.00 0.00 176.54 179.00 3kir h LYS 39 N 0.00 0.31 0.00 4.80 3.64 -1.98 -1.66 116.57 121.69 3kir h LYS 39 Ca 0.18 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3kir h LYS 39 Cb 1.59 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 3kir h LYS 39 CO -0.00 0.33 0.00 0.39 -2.27 0.00 0.00 179.45 177.90 3kir n GLU 40 N -4.85 0.00 0.28 1.90 1.02 0.32 -0.45 120.64 118.86 3kir n GLU 40 Ca -0.03 0.17 0.05 0.00 -0.02 0.00 0.00 57.16 57.33 3kir n GLU 40 Cb 0.10 -1.12 0.16 0.00 -0.02 0.00 0.00 31.44 30.56 3kir n GLU 40 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 3kir h ILE 41 N 0.00 0.01 0.00 -3.67 3.07 -1.64 0.31 117.51 115.58 3kir h ILE 41 Ca 0.00 0.00 -0.07 0.00 1.55 0.00 0.00 64.86 66.34 3kir h ILE 41 Cb 0.00 0.10 -0.01 0.00 -0.27 0.00 0.00 36.82 36.64 3kir h ILE 41 CO 0.00 0.00 -0.48 -0.09 -1.05 0.00 0.00 178.15 176.53 3kir h ARG 42 N 0.00 0.00 -2.31 0.16 2.43 -1.08 -3.38 114.38 110.20 3kir h ARG 42 Ca 0.05 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3kir h ARG 42 Cb 1.88 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.43 3kir h ARG 42 CO -0.00 0.59 0.14 1.04 -1.51 0.00 0.00 179.97 180.23 3kir n GLN 43 N -4.59 0.19 -3.63 0.20 6.02 0.11 -4.45 117.38 111.24 3kir n GLN 43 Ca -0.14 -0.05 -0.29 0.00 -0.01 0.00 0.00 57.00 56.51 3kir n GLN 43 Cb 0.40 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 30.09 3kir n GLN 43 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3kir n LYS 44 N 2.29 2.33 0.00 -1.09 4.01 -1.25 -4.99 118.16 119.46 3kir n LYS 44 Ca 0.02 -4.58 0.00 0.00 -0.51 0.00 0.00 58.31 53.24 3kir n LYS 44 Cb 0.09 -2.30 0.00 0.00 -0.51 0.00 0.00 35.03 32.32 3kir n LYS 44 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kir n GLY 45 N 1.46 1.75 3.88 0.72 0.00 -1.26 -4.82 105.19 106.91 3kir n GLY 45 Ca 0.25 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 3kir n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kir s ARG 46 N 4.48 2.27 0.40 1.61 0.52 -1.26 -2.73 118.95 124.23 3kir s ARG 46 Ca 0.00 -1.99 -0.13 0.00 -0.52 0.00 0.00 55.73 53.09 3kir s ARG 46 Cb 0.00 -2.08 0.05 0.00 0.52 0.00 0.00 34.95 33.44 3kir s ARG 46 CO 0.00 -0.54 0.76 0.36 0.02 0.00 0.00 175.30 175.90 3kir n LYS 47 N -1.69 1.09 -2.93 3.54 2.85 -0.38 -4.82 118.16 115.83 3kir n LYS 47 Ca -0.02 -2.34 -0.19 0.00 -1.05 0.00 0.00 58.31 54.71 3kir n LYS 47 Cb 0.64 2.81 0.03 0.00 -0.65 0.00 0.00 35.03 37.86 3kir n LYS 47 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3kir s PHE 48 N -2.20 2.39 -0.18 5.58 2.99 -1.26 -2.55 117.98 122.75 3kir s PHE 48 Ca 0.18 -0.42 -0.14 0.00 0.00 0.00 0.00 56.93 56.55 3kir s PHE 48 Cb -0.04 -2.43 0.05 0.00 0.00 0.00 0.00 43.02 40.59 3kir s PHE 48 CO 0.13 -0.75 0.46 0.08 -0.00 0.00 0.00 175.22 175.15 3kir s VAL 49 N -2.54 -0.01 0.05 -0.44 1.01 -1.25 -4.90 120.40 112.33 3kir s VAL 49 Ca 0.58 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.64 3kir s VAL 49 Cb -0.09 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 3kir s VAL 49 CO 0.36 0.01 -0.18 -0.22 0.00 0.00 0.00 175.10 175.07 3kir s LEU 50 N 0.61 2.19 0.00 3.92 2.96 -1.26 -4.40 118.68 122.69 3kir s LEU 50 Ca -0.03 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 3kir s LEU 50 Cb -0.05 -0.81 0.00 0.00 0.50 0.00 0.00 46.19 45.83 3kir s LEU 50 CO -0.04 0.10 0.00 0.00 -1.32 0.00 0.00 176.35 175.09 3kir n ALA 51 N 1.77 0.00 0.88 5.97 0.00 -1.26 -4.47 120.51 123.40 3kir n ALA 51 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.39 3kir n ALA 51 Cb 0.54 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.36 3kir n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kir n LYS 52 N 0.00 0.08 0.03 0.00 4.01 -1.26 -3.84 118.16 117.18 3kir n LYS 52 Ca 0.00 0.04 -0.18 0.00 -0.51 0.00 0.00 58.31 57.66 3kir n LYS 52 Cb 0.00 -1.57 -0.14 0.00 -0.51 0.00 0.00 35.03 32.81 3kir n LYS 52 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 3kir h PRO 53 N 0.00 0.23 -0.93 1.97 0.13 -1.78 -2.68 132.00 128.94 3kir h PRO 53 Ca 0.00 -0.40 0.16 0.00 -0.87 0.00 0.00 66.00 64.89 3kir h PRO 53 Cb 0.57 0.15 -0.10 0.00 0.13 0.00 0.00 31.00 31.75 3kir h PRO 53 CO 0.00 1.07 0.53 0.93 -0.23 0.00 0.00 178.00 180.30 3kir h GLU 54 N 0.06 0.70 -0.47 0.86 5.08 -1.92 1.26 114.58 120.15 3kir h GLU 54 Ca -0.31 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 3kir h GLU 54 Cb 2.03 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 31.11 3kir h GLU 54 CO 0.13 0.46 0.01 0.00 -1.00 0.00 0.00 179.01 178.61 3kir h ALA 55 N 1.59 0.63 0.94 3.43 0.00 -1.67 -2.10 119.26 122.09 3kir h ALA 55 Ca 0.52 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3kir h ALA 55 Cb 0.74 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.37 3kir h ALA 55 CO -0.36 0.43 -0.47 1.49 0.00 0.00 0.00 179.25 180.34 3kir h GLU 56 N 0.68 -1.24 -0.95 0.00 4.57 0.69 -2.90 114.58 115.44 3kir h GLU 56 Ca 0.13 0.08 0.27 0.00 -1.18 0.00 0.00 59.36 58.67 3kir h GLU 56 Cb 0.49 0.28 -0.14 0.00 -0.16 0.00 0.00 28.75 29.22 3kir h GLU 56 CO 0.02 -0.82 0.45 0.00 -1.18 0.00 0.00 179.01 177.48 3kir h ARG 57 N -1.28 0.33 -0.39 1.92 3.08 0.12 0.92 114.38 119.07 3kir h ARG 57 Ca -0.13 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 59.96 3kir h ARG 57 Cb 0.99 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 3kir h ARG 57 CO 0.20 0.22 0.26 0.82 -1.07 0.00 0.00 179.97 180.40 3kir h ILE 58 N 0.34 0.94 0.00 2.04 1.08 -1.18 -1.29 117.51 119.44 3kir h ILE 58 Ca 0.64 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 65.03 3kir h ILE 58 Cb 1.36 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 3kir h ILE 58 CO -0.59 0.05 -0.09 0.29 -0.69 0.00 0.00 178.15 177.11 3kir n LYS 59 N -4.47 0.26 -3.36 2.37 5.02 0.32 -3.97 118.16 114.33 3kir n LYS 59 Ca 0.05 0.19 -0.32 0.00 -2.02 0.00 0.00 58.31 56.22 3kir n LYS 59 Cb 0.27 -1.78 -0.06 0.00 -0.02 0.00 0.00 35.03 33.44 3kir n LYS 59 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kir n LEU 60 N -2.23 4.43 0.00 -0.35 4.77 -0.49 -2.46 117.00 120.67 3kir n LEU 60 Ca 0.05 -5.36 0.00 0.00 -0.03 0.00 0.00 56.01 50.67 3kir n LEU 60 Cb 0.43 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 3kir n LEU 60 CO 0.31 1.92 0.06 0.00 -1.33 0.00 0.00 177.39 178.35 3kir n LEU 61 N 1.11 2.20 -0.17 2.23 -0.00 -1.25 -3.53 117.00 117.60 3kir n LEU 61 Ca 0.28 0.14 0.08 0.00 -0.00 0.00 0.00 56.01 56.51 3kir n LEU 61 Cb 0.38 -0.04 0.39 0.00 -0.00 0.00 0.00 43.42 44.16 3kir n LEU 61 CO 0.48 -0.04 1.21 -0.07 -0.00 0.00 0.00 177.39 178.97 3kir h LEU 62 N 0.00 0.59 -1.75 1.47 3.38 -1.91 0.24 115.31 117.34 3kir h LEU 62 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kir h LEU 62 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3kir h LEU 62 CO 0.00 0.37 0.00 1.55 0.09 0.00 0.00 178.44 180.45 3kir h PRO 63 N 0.66 0.00 0.00 1.13 0.13 -1.95 -3.53 132.00 128.44 3kir h PRO 63 Ca 0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 3kir h PRO 63 Cb 0.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.52 3kir h PRO 63 CO -0.11 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.32