#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir s ARG 3 N 0.00 3.00 -1.06 0.54 3.52 -1.26 -5.02 118.95 118.67 3kir s ARG 3 Ca 0.00 -0.97 -0.13 0.00 -0.13 0.00 0.00 55.73 54.49 3kir s ARG 3 Cb 0.00 -3.77 0.20 0.00 -1.56 0.00 0.00 34.95 29.82 3kir s ARG 3 CO 0.00 -0.65 1.16 0.00 -0.81 0.00 0.00 175.30 175.00 3kir s ALA 4 N 1.61 4.10 0.82 6.12 0.00 -1.26 -5.02 121.76 128.13 3kir s ALA 4 Ca 0.03 -3.38 -0.10 0.00 0.00 0.00 0.00 51.96 48.52 3kir s ALA 4 Cb -0.19 -3.84 0.09 0.00 0.00 0.00 0.00 23.12 19.18 3kir s ALA 4 CO 0.08 -2.56 1.11 -1.59 0.00 0.00 0.00 175.76 172.79 3kir s LYS 5 N 0.73 1.83 0.10 0.00 -2.85 -1.26 -4.93 119.74 113.36 3kir s LYS 5 Ca 0.33 1.29 -0.28 0.00 -1.00 0.00 0.00 55.97 56.31 3kir s LYS 5 Cb -0.07 -1.84 -0.10 0.00 -2.06 0.00 0.00 37.83 33.77 3kir s LYS 5 CO -0.06 -1.98 1.45 1.15 0.10 0.00 0.00 175.35 176.01 3kir h THR 6 N -1.38 0.00 0.00 3.79 2.02 -2.04 -3.47 112.91 111.83 3kir h THR 6 Ca -0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3kir h THR 6 Cb 1.24 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3kir h THR 6 CO 0.48 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.98 3kir n GLY 7 N -1.33 0.88 0.27 2.16 0.00 -1.26 -3.39 105.19 102.52 3kir n GLY 7 Ca -0.04 -0.74 0.08 0.00 0.00 0.00 0.00 46.02 45.33 3kir n GLY 7 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kir h VAL 8 N 0.00 0.99 -0.94 1.61 3.04 -2.03 -3.32 116.25 115.61 3kir h VAL 8 Ca 0.00 -0.02 0.16 0.00 -1.01 0.00 0.00 66.70 65.83 3kir h VAL 8 Cb 0.00 0.94 -0.16 0.00 -2.01 0.00 0.00 31.29 30.06 3kir h VAL 8 CO 0.00 0.01 -0.32 0.52 -1.01 0.00 0.00 177.57 176.77 3kir n VAL 9 N -4.53 -0.46 0.14 1.51 0.31 -1.22 -2.21 118.33 111.88 3kir n VAL 9 Ca -0.02 2.18 -0.10 0.00 -0.01 0.00 0.00 64.34 66.40 3kir n VAL 9 Cb 0.12 -2.93 -0.06 0.00 -0.91 0.00 0.00 33.84 30.06 3kir n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3kir h ARG 10 N 0.00 -0.42 -1.07 5.55 2.43 -1.80 -2.94 114.38 116.13 3kir h ARG 10 Ca 0.37 0.03 0.40 0.00 -0.81 0.00 0.00 59.98 59.97 3kir h ARG 10 Cb 0.61 0.09 -0.16 0.00 -0.42 0.00 0.00 29.97 30.09 3kir h ARG 10 CO -0.95 -0.14 0.61 -0.09 -1.51 0.00 0.00 179.97 177.90 3kir h ARG 11 N -1.02 0.08 0.82 0.20 2.43 -1.75 -0.30 114.38 114.84 3kir h ARG 11 Ca -0.04 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 3kir h ARG 11 Cb 0.47 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3kir h ARG 11 CO 0.07 0.05 -0.42 0.00 -1.51 0.00 0.00 179.97 178.17 3kir h ARG 12 N 0.08 -1.09 -0.03 0.20 2.47 -1.36 0.22 114.38 114.87 3kir h ARG 12 Ca 0.82 0.07 0.01 0.00 -1.26 0.00 0.00 59.98 59.63 3kir h ARG 12 Cb 2.21 0.25 -0.00 0.00 -1.65 0.00 0.00 29.97 30.78 3kir h ARG 12 CO -0.67 -0.73 0.03 0.87 0.56 0.00 0.00 179.97 180.03 3kir h LYS 13 N -1.13 0.00 0.02 0.04 1.79 -0.94 -0.98 116.57 115.37 3kir h LYS 13 Ca -0.11 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 3kir h LYS 13 Cb 0.88 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 3kir h LYS 13 CO 0.16 0.00 -0.01 0.45 -1.08 0.00 0.00 179.45 178.98 3kir h HIS 14 N 0.00 -0.02 0.00 -1.35 3.86 -0.72 -3.13 115.15 113.79 3kir h HIS 14 Ca 0.02 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.17 3kir h HIS 14 Cb 0.07 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 3kir h HIS 14 CO 0.00 0.62 -0.27 1.57 0.86 0.00 0.00 177.93 180.71 3kir h LYS 15 N -0.69 0.00 -0.26 2.45 2.10 -0.64 -2.08 116.57 117.44 3kir h LYS 15 Ca -0.00 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.72 3kir h LYS 15 Cb 0.65 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.97 3kir h LYS 15 CO 0.00 0.27 0.19 -0.22 -2.00 0.00 0.00 179.45 177.69 3kir h LYS 16 N 0.00 0.00 0.10 0.07 3.64 -1.16 -2.01 116.57 117.21 3kir h LYS 16 Ca -0.00 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.01 3kir h LYS 16 Cb 0.51 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 3kir h LYS 16 CO 0.03 0.00 -2.09 -0.89 -2.27 0.00 0.00 179.45 174.24 3kir n ILE 17 N -4.39 1.73 -0.07 2.00 5.41 -0.82 -3.74 119.36 119.47 3kir n ILE 17 Ca 0.03 -0.64 0.17 0.00 1.00 0.00 0.00 62.75 63.31 3kir n ILE 17 Cb 0.35 -1.66 0.60 0.00 -0.71 0.00 0.00 39.64 38.22 3kir n ILE 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3kir h LEU 18 N 0.06 0.18 -0.19 1.39 3.38 -1.11 0.40 115.31 119.42 3kir h LEU 18 Ca -0.45 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 3kir h LEU 18 Cb 2.01 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.72 3kir h LEU 18 CO 0.06 0.10 0.09 0.50 0.09 0.00 0.00 178.44 179.27 3kir h LYS 19 N 0.20 0.28 -0.20 1.13 3.64 -1.51 -2.27 116.57 117.85 3kir h LYS 19 Ca 0.29 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.69 3kir h LYS 19 Cb 0.89 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3kir h LYS 19 CO -0.05 0.31 0.18 -0.07 -2.27 0.00 0.00 179.45 177.55 3kir h LEU 20 N 0.18 0.00 -2.70 5.20 -0.00 -0.33 -2.36 115.31 115.30 3kir h LEU 20 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 3kir h LEU 20 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 3kir h LEU 20 CO -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.43 3kir n ALA 21 N -2.42 2.80 -1.63 1.53 0.00 -0.67 -5.00 120.51 115.13 3kir n ALA 21 Ca 0.02 -1.33 -0.45 0.00 0.00 0.00 0.00 53.44 51.68 3kir n ALA 21 Cb 0.32 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 3kir n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kir n LYS 22 N 1.18 1.66 -0.19 0.00 4.76 -0.89 -2.15 118.16 122.53 3kir n LYS 22 Ca 0.23 0.59 0.00 0.00 -2.87 0.00 0.00 58.31 56.26 3kir n LYS 22 Cb 0.72 -2.11 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 3kir n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kir n GLY 23 N 1.58 1.59 3.80 0.72 0.00 -1.26 -5.05 105.19 106.58 3kir n GLY 23 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3kir n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kir s TYR 24 N -2.82 2.99 0.28 1.61 4.12 -0.91 -5.00 117.35 117.62 3kir s TYR 24 Ca 0.00 1.54 -0.29 0.00 0.02 0.00 0.00 57.07 58.34 3kir s TYR 24 Cb 0.00 -3.04 -0.10 0.00 -1.52 0.00 0.00 41.96 37.31 3kir s TYR 24 CO 0.00 -0.99 1.15 -0.46 0.02 0.00 0.00 175.55 175.28 3kir s TRP 25 N -2.23 3.45 0.00 2.71 -0.11 -1.26 -4.02 118.94 117.49 3kir s TRP 25 Ca 0.65 1.61 0.00 0.00 1.22 0.00 0.00 56.10 59.59 3kir s TRP 25 Cb -0.16 -3.38 0.00 0.00 -1.50 0.00 0.00 33.47 28.42 3kir s TRP 25 CO 0.29 -0.89 0.00 0.41 -4.62 0.00 0.00 176.95 172.13 3kir n GLY 26 N 1.19 2.24 0.20 5.86 0.00 -1.26 -1.70 105.19 111.73 3kir n GLY 26 Ca -0.00 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.83 3kir n GLY 26 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kir h LEU 27 N 0.00 0.00 -1.86 0.99 3.38 -1.97 -2.02 115.31 113.83 3kir h LEU 27 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kir h LEU 27 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kir h LEU 27 CO 0.00 0.00 0.00 0.03 0.09 0.00 0.00 178.44 178.56 3kir h ARG 28 N 0.00 0.00 -0.02 1.13 3.08 -1.61 0.81 114.38 117.77 3kir h ARG 28 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kir h ARG 28 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3kir h ARG 28 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 3kir n SER 29 N -2.65 1.58 -0.01 7.04 3.41 -0.76 -3.50 113.62 118.72 3kir n SER 29 Ca -0.01 -1.30 -0.02 0.00 -0.26 0.00 0.00 58.87 57.28 3kir n SER 29 Cb 0.12 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.05 3kir n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kir n LYS 30 N 0.35 0.07 -2.48 4.33 4.76 -0.39 -4.84 118.16 119.96 3kir n LYS 30 Ca 0.04 0.02 -0.43 0.00 -2.87 0.00 0.00 58.31 55.07 3kir n LYS 30 Cb 0.17 -0.97 -0.02 0.00 -1.84 0.00 0.00 35.03 32.37 3kir n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3kir s SER 31 N -4.44 6.50 0.00 4.39 0.15 0.27 -4.88 113.70 115.69 3kir s SER 31 Ca -0.04 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.30 3kir s SER 31 Cb 0.01 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 3kir s SER 31 CO 0.06 -1.32 0.18 2.22 1.20 0.00 0.00 173.24 175.58 3kir n PHE 32 N 8.26 0.00 0.02 3.44 -1.74 -1.26 -0.51 117.46 125.67 3kir n PHE 32 Ca 0.14 0.00 -0.00 0.00 -0.56 0.00 0.00 57.45 57.03 3kir n PHE 32 Cb 0.48 0.00 -0.00 0.00 1.52 0.00 0.00 39.48 41.48 3kir n PHE 32 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3kir n ARG 33 N -0.60 0.01 -0.35 3.97 1.74 -1.26 -4.41 116.66 115.76 3kir n ARG 33 Ca 0.00 0.01 0.28 0.00 -0.77 0.00 0.00 57.85 57.36 3kir n ARG 33 Cb 0.00 -0.29 0.58 0.00 -1.02 0.00 0.00 32.46 31.73 3kir n ARG 33 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3kir h LYS 34 N -0.03 0.26 0.86 5.56 1.79 -1.61 0.26 116.57 123.66 3kir h LYS 34 Ca 0.00 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 3kir h LYS 34 Cb 0.03 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 30.63 3kir h LYS 34 CO 0.00 0.17 -0.41 0.00 -1.08 0.00 0.00 179.45 178.13 3kir h ALA 35 N 1.58 -1.16 -0.47 3.86 0.00 -0.84 -0.08 119.26 122.16 3kir h ALA 35 Ca 0.64 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 55.39 3kir h ALA 35 Cb 1.86 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 20.01 3kir h ALA 35 CO -0.28 -1.11 -0.16 -0.09 0.00 0.00 0.00 179.25 177.61 3kir h ARG 36 N -1.24 -0.05 -0.80 0.00 2.43 -0.81 -0.30 114.38 113.61 3kir h ARG 36 Ca -0.12 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.13 3kir h ARG 36 Cb 0.90 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.39 3kir h ARG 36 CO 0.19 -0.03 0.47 0.93 -1.51 0.00 0.00 179.97 180.02 3kir h GLU 37 N -0.05 0.79 -0.00 0.20 5.08 -0.84 -1.58 114.58 118.18 3kir h GLU 37 Ca 0.22 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3kir h GLU 37 Cb 0.39 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3kir h GLU 37 CO -0.51 0.52 0.00 1.15 -1.00 0.00 0.00 179.01 179.18 3kir h THR 38 N 0.81 1.16 -0.59 1.13 2.02 0.19 -3.06 112.91 114.58 3kir h THR 38 Ca 0.37 -0.48 0.12 0.00 0.77 0.00 0.00 66.41 67.19 3kir h THR 38 Cb 0.28 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 3kir h THR 38 CO -0.22 0.13 0.40 -0.07 0.37 0.00 0.00 175.52 176.13 3kir h LEU 39 N -0.20 0.27 -0.48 2.58 3.38 -0.65 0.42 115.31 120.63 3kir h LEU 39 Ca 0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3kir h LEU 39 Cb 0.20 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3kir h LEU 39 CO -0.00 0.16 0.22 -0.26 0.09 0.00 0.00 178.44 178.64 3kir h PHE 40 N 0.30 0.39 -0.01 1.13 0.05 -1.20 0.22 116.94 117.82 3kir h PHE 40 Ca 0.28 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 62.08 3kir h PHE 40 Cb 0.68 -0.10 -0.00 0.00 2.00 0.00 0.00 35.95 38.53 3kir h PHE 40 CO -0.00 0.17 -0.01 0.00 -0.18 0.00 0.00 178.31 178.29 3kir h ALA 41 N 1.29 0.02 -0.61 2.45 0.00 -1.04 -2.63 119.26 118.73 3kir h ALA 41 Ca 0.22 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 55.01 3kir h ALA 41 Cb 0.17 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.87 3kir h ALA 41 CO -0.18 -0.25 0.16 0.00 0.00 0.00 0.00 179.25 178.97 3kir h ALA 42 N 0.56 0.75 -0.44 0.00 0.00 -0.76 0.25 119.26 119.61 3kir h ALA 42 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3kir h ALA 42 Cb 0.46 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3kir h ALA 42 CO 0.00 -0.28 0.17 0.78 0.00 0.00 0.00 179.25 179.91 3kir h GLY 43 N 0.29 0.68 1.91 0.00 0.00 -0.55 -1.52 103.07 103.88 3kir h GLY 43 Ca 0.32 -0.33 -0.22 0.00 0.00 0.00 0.00 47.33 47.10 3kir h GLY 43 CO -0.39 0.32 -1.05 3.43 0.00 0.00 0.00 176.54 178.84 3kir h ASN 44 N 0.63 0.11 -0.17 0.19 2.35 -0.71 -2.95 115.58 115.03 3kir h ASN 44 Ca 0.15 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3kir h ASN 44 Cb 0.15 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3kir h ASN 44 CO -0.01 1.08 0.00 1.88 -1.65 0.00 0.00 177.43 178.73 3kir h TYR 45 N 0.02 0.33 0.03 1.19 0.99 -0.27 -2.22 116.97 117.05 3kir h TYR 45 Ca -0.04 -0.06 0.03 0.00 2.00 0.00 0.00 58.73 60.66 3kir h TYR 45 Cb 1.81 -0.09 -0.05 0.00 1.00 0.00 0.00 36.73 39.40 3kir h TYR 45 CO 0.02 0.51 -0.38 0.00 -0.00 0.00 0.00 178.16 178.31 3kir h ALA 46 N 0.78 -0.61 -0.48 3.88 0.00 -1.34 1.20 119.26 122.69 3kir h ALA 46 Ca 0.05 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3kir h ALA 46 Cb 0.38 0.66 -0.10 0.00 0.00 0.00 0.00 17.79 18.73 3kir h ALA 46 CO 0.01 -0.92 -0.26 -0.92 0.00 0.00 0.00 179.25 177.16 3kir h TYR 47 N -0.56 -0.68 -0.44 0.00 3.20 -1.43 0.16 116.97 117.22 3kir h TYR 47 Ca 0.05 0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 3kir h TYR 47 Cb 0.63 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 3kir h TYR 47 CO -0.38 -0.33 -0.04 0.00 -1.64 0.00 0.00 178.16 175.77 3kir h ALA 48 N 1.08 0.59 0.00 1.82 0.00 -0.83 -3.06 119.26 118.86 3kir h ALA 48 Ca 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kir h ALA 48 Cb 0.50 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kir h ALA 48 CO -0.57 0.42 0.00 0.45 0.00 0.00 0.00 179.25 179.55 3kir h HIS 49 N 0.63 0.00 0.18 0.00 3.86 0.24 -1.67 115.15 118.39 3kir h HIS 49 Ca 0.12 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3kir h HIS 49 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 3kir h HIS 49 CO 0.04 0.00 -0.09 0.00 0.86 0.00 0.00 177.93 178.75 3kir h ARG 50 N 0.00 -0.23 -0.51 2.45 3.08 -0.90 0.55 114.38 118.82 3kir h ARG 50 Ca 0.00 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.21 3kir h ARG 50 Cb 0.38 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3kir h ARG 50 CO 0.00 0.01 0.57 0.87 -1.07 0.00 0.00 179.97 180.35 3kir h LYS 51 N -1.02 0.00 0.02 0.04 1.57 -1.52 0.15 116.57 115.81 3kir h LYS 51 Ca -0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3kir h LYS 51 Cb 0.35 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.67 3kir h LYS 51 CO 0.04 0.00 -0.22 -0.09 -0.57 0.00 0.00 179.45 178.61 3kir h ARG 52 N 0.00 0.11 -0.91 3.15 2.43 -1.16 -3.31 114.38 114.69 3kir h ARG 52 Ca 0.24 -0.15 0.25 0.00 -0.81 0.00 0.00 59.98 59.51 3kir h ARG 52 Cb 1.38 0.05 -0.14 0.00 -0.42 0.00 0.00 29.97 30.84 3kir h ARG 52 CO -0.00 0.99 0.31 -0.09 -1.51 0.00 0.00 179.97 179.67 3kir h ARG 53 N -0.70 0.24 0.00 0.20 2.43 0.17 0.86 114.38 117.58 3kir h ARG 53 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3kir h ARG 53 Cb 1.09 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3kir h ARG 53 CO 0.04 0.16 0.07 1.63 -1.51 0.00 0.00 179.97 180.36 3kir n LYS 54 N -5.18 0.12 -0.00 0.20 5.02 -1.07 -1.01 118.16 116.24 3kir n LYS 54 Ca 0.23 0.61 0.06 0.00 -2.02 0.00 0.00 58.31 57.19 3kir n LYS 54 Cb 0.74 -1.97 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 3kir n LYS 54 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kir n ARG 55 N -2.17 1.37 0.25 1.97 1.74 0.29 -3.45 116.66 116.65 3kir n ARG 55 Ca -0.01 -0.07 0.16 0.00 -0.77 0.00 0.00 57.85 57.15 3kir n ARG 55 Cb 0.10 -1.19 0.54 0.00 -1.02 0.00 0.00 32.46 30.90 3kir n ARG 55 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3kir h ASP 56 N 0.00 0.00 0.00 0.55 3.32 -0.38 -2.67 116.42 117.24 3kir h ASP 56 Ca 0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 3kir h ASP 56 Cb 0.43 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.91 3kir h ASP 56 CO 0.00 0.00 -2.45 0.49 -1.72 0.00 0.00 179.24 175.56 3kir n PHE 57 N -2.99 0.03 -0.39 4.55 3.01 -1.12 -2.02 117.46 118.53 3kir n PHE 57 Ca 0.02 0.01 0.31 0.00 1.01 0.00 0.00 57.45 58.79 3kir n PHE 57 Cb 0.35 -1.00 0.60 0.00 -0.01 0.00 0.00 39.48 39.42 3kir n PHE 57 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kir h ARG 58 N 0.00 0.20 0.00 -1.08 3.08 -1.57 -1.24 114.38 113.78 3kir h ARG 58 Ca -0.57 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.47 3kir h ARG 58 Cb 1.98 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.99 3kir h ARG 58 CO -0.06 0.13 0.00 0.54 -1.07 0.00 0.00 179.97 179.51 3kir n ARG 59 N -4.59 0.00 -0.26 0.04 5.12 -1.01 -3.35 116.66 112.61 3kir n ARG 59 Ca 0.31 0.36 -0.03 0.00 -1.93 0.00 0.00 57.85 56.57 3kir n ARG 59 Cb 1.19 -0.93 0.00 0.00 -1.16 0.00 0.00 32.46 31.56 3kir n ARG 59 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3kir n LEU 60 N -1.58 -0.50 0.00 0.55 0.00 -0.85 -0.64 117.00 113.98 3kir n LEU 60 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.15 3kir n LEU 60 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 43.42 43.19 3kir n LEU 60 CO 0.00 -1.00 0.44 0.79 0.00 0.00 0.00 177.39 177.62 3kir n TRP 61 N -4.92 0.00 -0.32 1.96 8.01 -0.51 -2.07 117.44 119.59 3kir n TRP 61 Ca 0.05 0.00 0.02 0.00 -1.31 0.00 0.00 57.50 56.26 3kir n TRP 61 Cb 0.24 -0.38 0.08 0.00 -2.01 0.00 0.00 31.31 29.24 3kir n TRP 61 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.69 175.79 3kir n ILE 62 N -2.08 -0.40 -0.26 -0.99 5.41 0.19 0.29 119.36 121.53 3kir n ILE 62 Ca 0.00 1.96 0.04 0.00 1.00 0.00 0.00 62.75 65.76 3kir n ILE 62 Cb 0.00 -2.66 0.18 0.00 -0.71 0.00 0.00 39.64 36.45 3kir n ILE 62 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3kir h VAL 63 N 0.00 0.73 0.10 1.39 2.07 -0.67 0.10 116.25 119.98 3kir h VAL 63 Ca 0.36 -0.18 -0.30 0.00 0.82 0.00 0.00 66.70 67.40 3kir h VAL 63 Cb 0.57 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3kir h VAL 63 CO -0.86 0.10 -1.50 0.08 0.02 0.00 0.00 177.57 175.40 3kir h ARG 64 N 0.53 0.21 -0.19 1.57 0.11 0.42 -2.03 114.38 115.00 3kir h ARG 64 Ca 0.40 -0.36 0.05 0.00 0.10 0.00 0.00 59.98 60.17 3kir h ARG 64 Cb 0.54 0.14 -0.07 0.00 1.11 0.00 0.00 29.97 31.69 3kir h ARG 64 CO -0.35 1.06 -0.29 0.82 0.10 0.00 0.00 179.97 181.31 3kir h ILE 65 N 0.06 0.32 -0.15 0.08 2.04 0.18 0.50 117.51 120.53 3kir h ILE 65 Ca -0.23 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.68 3kir h ILE 65 Cb 2.00 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 3kir h ILE 65 CO 0.15 0.00 -0.23 -1.13 0.00 0.00 0.00 178.15 176.94 3kir h ASN 66 N -0.33 -0.72 0.00 1.72 -0.00 -0.89 0.53 115.58 115.89 3kir h ASN 66 Ca 0.12 0.12 0.00 0.00 -0.00 0.00 0.00 56.30 56.54 3kir h ASN 66 Cb 0.52 0.32 0.00 0.00 -0.00 0.00 0.00 38.32 39.16 3kir h ASN 66 CO -0.38 -0.28 0.00 0.00 -0.00 0.00 0.00 177.43 176.77 3kir n ALA 67 N -2.72 -0.03 0.03 1.57 0.00 0.04 0.18 120.51 119.58 3kir n ALA 67 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 3kir n ALA 67 Cb 0.28 0.44 -0.05 0.00 0.00 0.00 0.00 19.45 20.12 3kir n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kir h ALA 68 N -1.16 -0.05 -0.85 0.00 0.00 -1.13 -2.04 119.26 114.03 3kir h ALA 68 Ca 0.00 0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.16 3kir h ALA 68 Cb 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3kir h ALA 68 CO 0.00 -0.56 0.59 0.00 0.00 0.00 0.00 179.25 179.28 3kir h ARG 70 N 0.12 0.86 -1.15 0.00 2.43 0.27 -3.18 114.38 113.72 3kir h ARG 70 Ca 0.42 -0.60 0.33 0.00 -0.81 0.00 0.00 59.98 59.32 3kir h ARG 70 Cb 1.46 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 31.06 3kir h ARG 70 CO -0.06 1.23 0.91 1.96 -1.51 0.00 0.00 179.97 182.50 3kir h GLN 71 N 0.63 0.00 -0.76 0.20 4.20 -0.79 0.18 115.11 118.77 3kir h GLN 71 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3kir h GLN 71 Cb 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 3kir h GLN 71 CO 0.14 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 179.02 3kir n HIS 72 N -3.95 1.18 0.00 2.96 8.25 -1.20 -4.91 115.22 117.54 3kir n HIS 72 Ca 0.25 -0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 3kir n HIS 72 Cb 1.29 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 32.07 3kir n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kir n GLY 73 N 0.36 3.31 3.45 -1.41 0.00 0.63 -5.06 105.19 106.48 3kir n GLY 73 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 3kir n GLY 73 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3kir s LEU 74 N 0.00 2.59 0.46 0.99 -0.00 -1.23 -5.05 118.68 116.45 3kir s LEU 74 Ca 0.00 -1.12 0.00 0.00 -0.00 0.00 0.00 54.13 53.01 3kir s LEU 74 Cb 0.00 -0.86 0.00 0.00 -0.00 0.00 0.00 46.19 45.33 3kir s LEU 74 CO 0.00 -0.18 0.68 0.54 -0.00 0.00 0.00 176.35 177.40 3kir s ASN 75 N -3.48 5.78 0.13 1.48 2.20 -1.26 -3.06 114.94 116.72 3kir s ASN 75 Ca 0.29 0.26 -0.26 0.00 -0.94 0.00 0.00 52.86 52.20 3kir s ASN 75 Cb 0.00 -1.46 -0.04 0.00 -2.00 0.00 0.00 41.25 37.76 3kir s ASN 75 CO 0.13 -0.75 1.61 0.22 -2.94 0.00 0.00 177.10 175.38 3kir h TYR 76 N 0.36 -0.86 -0.95 1.54 3.20 -1.90 -0.40 116.97 117.96 3kir h TYR 76 Ca -0.46 0.03 0.31 0.00 3.14 0.00 0.00 58.73 61.76 3kir h TYR 76 Cb 1.26 0.39 -0.17 0.00 1.54 0.00 0.00 36.73 39.75 3kir h TYR 76 CO 0.44 -0.40 0.21 0.43 -1.64 0.00 0.00 178.16 177.21 3kir n SER 77 N -5.41 0.06 -0.05 -2.11 7.64 -1.26 -1.51 113.62 110.98 3kir n SER 77 Ca -0.04 1.59 -0.02 0.00 1.01 0.00 0.00 58.87 61.41 3kir n SER 77 Cb 0.32 -0.66 -0.02 0.00 -1.01 0.00 0.00 64.21 62.85 3kir n SER 77 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3kir h THR 78 N 0.00 0.25 -0.83 0.44 2.02 -1.78 -3.18 112.91 109.82 3kir h THR 78 Ca 0.66 -1.19 0.07 0.00 0.77 0.00 0.00 66.41 66.73 3kir h THR 78 Cb 1.56 0.47 -0.10 0.00 -1.74 0.00 0.00 68.15 68.34 3kir h THR 78 CO -0.83 0.08 -0.49 0.33 0.37 0.00 0.00 175.52 174.99 3kir n PHE 79 N -4.74 -0.37 -0.25 3.16 -0.00 -0.23 0.14 117.46 115.18 3kir n PHE 79 Ca -0.02 1.04 0.12 0.00 -0.00 0.00 0.00 57.45 58.59 3kir n PHE 79 Cb 0.09 -0.57 0.39 0.00 -0.00 0.00 0.00 39.48 39.39 3kir n PHE 79 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3kir h ILE 80 N 0.00 0.85 -0.07 -2.13 1.08 -1.44 -0.53 117.51 115.27 3kir h ILE 80 Ca 0.13 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 3kir h ILE 80 Cb 0.34 0.12 -0.00 0.00 -3.07 0.00 0.00 36.82 34.21 3kir h ILE 80 CO -0.78 0.12 0.03 -0.74 -0.69 0.00 0.00 178.15 176.08 3kir h HIS 81 N 0.67 0.12 -0.02 1.37 2.76 0.13 -2.46 115.15 117.72 3kir h HIS 81 Ca 0.42 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.59 3kir h HIS 81 Cb 0.69 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.61 3kir h HIS 81 CO -0.00 0.26 -0.02 0.78 -1.30 0.00 0.00 177.93 177.65 3kir h GLY 82 N -0.06 -2.02 -0.98 5.26 0.00 0.78 -0.20 103.07 105.85 3kir h GLY 82 Ca 0.02 0.88 0.40 0.00 0.00 0.00 0.00 47.33 48.63 3kir h GLY 82 CO -0.00 -0.76 0.48 1.41 0.00 0.00 0.00 176.54 177.67 3kir h LEU 83 N -0.01 0.24 -0.39 3.11 4.07 -1.45 1.71 115.31 122.59 3kir h LEU 83 Ca 0.00 0.26 -0.01 0.00 0.08 0.00 0.00 57.88 58.22 3kir h LEU 83 Cb 0.02 0.29 -0.02 0.00 1.08 0.00 0.00 40.66 42.03 3kir h LEU 83 CO -0.02 -0.42 0.22 0.50 -1.08 0.00 0.00 178.44 177.64 3kir h LYS 84 N 0.02 0.54 0.24 1.13 1.63 -0.57 0.12 116.57 119.67 3kir h LYS 84 Ca 0.82 -0.06 -0.33 0.00 -0.85 0.00 0.00 60.65 60.23 3kir h LYS 84 Cb 2.11 -0.11 0.03 0.00 -0.60 0.00 0.00 32.23 33.66 3kir h LYS 84 CO -0.78 0.43 -1.47 0.87 -3.45 0.00 0.00 179.45 175.05 3kir h LYS 85 N 0.50 0.50 0.00 1.90 1.57 0.72 -3.01 116.57 118.75 3kir h LYS 85 Ca 0.14 -0.85 0.00 0.00 -1.87 0.00 0.00 60.65 58.06 3kir h LYS 85 Cb 0.05 0.32 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3kir h LYS 85 CO -0.02 1.41 0.08 0.00 -0.57 0.00 0.00 179.45 180.35 3kir h ALA 86 N 0.22 1.06 0.00 3.86 0.00 0.25 -3.45 119.26 121.19 3kir h ALA 86 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3kir h ALA 86 Cb 2.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.93 3kir h ALA 86 CO 0.26 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.86 3kir n GLY 87 N -1.27 0.82 2.71 0.00 0.00 0.31 -4.90 105.19 102.85 3kir n GLY 87 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3kir n GLY 87 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kir n ILE 88 N -2.02 2.96 -0.03 -0.61 -5.35 -0.59 -4.72 119.36 109.00 3kir n ILE 88 Ca 0.00 -2.18 -0.00 0.00 -0.27 0.00 0.00 62.75 60.30 3kir n ILE 88 Cb 0.00 -2.42 -0.00 0.00 -1.74 0.00 0.00 39.64 35.48 3kir n ILE 88 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3kir n GLU 89 N 5.38 0.05 0.00 6.28 2.13 -1.26 -4.14 120.64 129.08 3kir n GLU 89 Ca 0.55 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 58.36 3kir n GLU 89 Cb 0.30 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.52 3kir n GLU 89 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3kir n VAL 90 N 2.31 0.00 0.00 6.31 0.31 -1.26 -4.91 118.33 121.09 3kir n VAL 90 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3kir n VAL 90 Cb 0.02 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 3kir n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3kir n ASP 91 N 0.00 0.00 -2.67 4.52 -0.08 -1.26 -4.66 116.55 112.41 3kir n ASP 91 Ca 0.00 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.26 3kir n ASP 91 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3kir n ASP 91 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 3kir n ARG 92 N 0.00 -3.03 0.00 -0.67 0.63 -1.26 -3.35 116.66 108.98 3kir n ARG 92 Ca 0.00 2.50 0.00 0.00 -0.92 0.00 0.00 57.85 59.43 3kir n ARG 92 Cb 0.00 -5.19 0.00 0.00 0.45 0.00 0.00 32.46 27.72 3kir n ARG 92 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3kir n LYS 93 N 0.41 0.00 -0.23 -0.14 4.01 -1.26 0.21 118.16 121.15 3kir n LYS 93 Ca 0.03 0.00 0.04 0.00 -0.51 0.00 0.00 58.31 57.87 3kir n LYS 93 Cb 0.11 0.00 0.15 0.00 -0.51 0.00 0.00 35.03 34.78 3kir n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 3kir h ASN 94 N 0.00 -0.14 -0.05 4.39 -1.24 -1.93 -0.54 115.58 116.08 3kir h ASN 94 Ca 0.00 0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.17 3kir h ASN 94 Cb 0.00 0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.29 3kir h ASN 94 CO 0.00 -0.09 0.00 0.18 -1.29 0.00 0.00 177.43 176.23 3kir n LEU 95 N -5.23 1.14 -1.35 0.34 4.77 0.55 -3.67 117.00 113.55 3kir n LEU 95 Ca 0.12 -0.41 -0.06 0.00 -0.03 0.00 0.00 56.01 55.63 3kir n LEU 95 Cb 0.43 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.58 3kir n LEU 95 CO 0.11 0.21 0.72 0.00 -1.33 0.00 0.00 177.39 177.09 3kir n ALA 96 N -0.09 3.49 1.52 -1.18 0.00 -0.21 -3.08 120.51 120.97 3kir n ALA 96 Ca 0.19 -0.98 0.15 0.00 0.00 0.00 0.00 53.44 52.80 3kir n ALA 96 Cb 0.28 -1.14 0.79 0.00 0.00 0.00 0.00 19.45 19.38 3kir n ALA 96 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kir n ASP 97 N -0.03 0.02 0.20 0.00 5.75 -1.24 -2.81 116.55 118.45 3kir n ASP 97 Ca 0.19 -0.30 0.09 0.00 -0.01 0.00 0.00 54.79 54.76 3kir n ASP 97 Cb 0.86 -0.23 0.49 0.00 -1.03 0.00 0.00 41.12 41.21 3kir n ASP 97 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3kir h LEU 98 N 0.02 0.00 -0.87 -2.12 3.38 -1.71 0.31 115.31 114.33 3kir h LEU 98 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3kir h LEU 98 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3kir h LEU 98 CO 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 178.37 3kir h ALA 99 N 1.33 1.04 0.00 1.53 0.00 -1.80 -3.17 119.26 118.20 3kir h ALA 99 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3kir h ALA 99 Cb 0.54 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kir h ALA 99 CO 0.00 0.58 -0.09 0.28 0.00 0.00 0.00 179.25 180.02 3kir h VAL 100 N 0.60 0.00 -3.59 0.00 2.07 -0.66 -3.39 116.25 111.28 3kir h VAL 100 Ca 0.10 -0.27 -0.52 0.00 0.82 0.00 0.00 66.70 66.83 3kir h VAL 100 Cb 0.61 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3kir h VAL 100 CO 0.04 0.00 0.21 -0.13 0.02 0.00 0.00 177.57 177.71 3kir s ARG 101 N -1.27 4.56 -1.19 1.57 0.52 -1.15 -4.09 118.95 117.91 3kir s ARG 101 Ca -0.03 1.18 -0.01 0.00 -0.52 0.00 0.00 55.73 56.35 3kir s ARG 101 Cb 0.00 -3.16 -0.01 0.00 0.52 0.00 0.00 34.95 32.30 3kir s ARG 101 CO 0.04 0.51 0.96 0.39 0.02 0.00 0.00 175.30 177.22 3kir n GLU 102 N 1.35 -5.91 0.28 3.54 -0.58 -1.26 -4.22 120.64 113.84 3kir n GLU 102 Ca -0.04 0.83 0.14 0.00 -0.42 0.00 0.00 57.16 57.67 3kir n GLU 102 Cb 0.49 -5.79 0.83 0.00 -0.57 0.00 0.00 31.44 26.39 3kir n GLU 102 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3kir h PRO 103 N -1.80 0.00 -0.89 3.49 0.13 -1.69 -2.20 132.00 129.04 3kir h PRO 103 Ca -0.59 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.55 3kir h PRO 103 Cb 1.34 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.42 3kir h PRO 103 CO 0.50 0.07 0.59 1.96 -0.23 0.00 0.00 178.00 180.88 3kir h GLN 104 N 0.00 1.15 -0.40 0.86 4.20 -1.90 -0.74 115.11 118.27 3kir h GLN 104 Ca -0.00 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 3kir h GLN 104 Cb 0.20 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3kir h GLN 104 CO 0.01 0.76 0.11 0.28 -0.67 0.00 0.00 178.83 179.32 3kir h VAL 105 N 1.18 1.22 -0.01 -0.54 2.07 -1.72 -2.90 116.25 115.56 3kir h VAL 105 Ca 0.33 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 67.14 3kir h VAL 105 Cb -0.11 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3kir h VAL 105 CO -0.08 0.26 -0.24 0.15 0.02 0.00 0.00 177.57 177.68 3kir h PHE 106 N 0.50 -0.63 -1.08 1.57 3.57 -1.24 -0.52 116.94 119.11 3kir h PHE 106 Ca 0.13 0.02 0.31 0.00 3.53 0.00 0.00 57.97 61.96 3kir h PHE 106 Cb 0.28 0.28 -0.12 0.00 2.79 0.00 0.00 35.95 39.19 3kir h PHE 106 CO 0.01 -0.33 0.67 0.00 -2.23 0.00 0.00 178.31 176.44 3kir h ALA 107 N 0.50 2.20 0.78 2.41 0.00 -1.03 0.92 119.26 125.04 3kir h ALA 107 Ca 0.07 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3kir h ALA 107 Cb 0.45 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.33 3kir h ALA 107 CO -0.22 -0.70 -0.38 0.93 0.00 0.00 0.00 179.25 178.88 3kir h GLU 108 N 0.35 -1.01 -1.06 0.00 4.39 -0.91 -1.71 114.58 114.63 3kir h GLU 108 Ca 0.67 0.07 0.30 0.00 0.34 0.00 0.00 59.36 60.74 3kir h GLU 108 Cb 1.70 0.23 -0.12 0.00 -0.10 0.00 0.00 28.75 30.46 3kir h GLU 108 CO -0.41 -0.67 0.65 -0.07 -1.16 0.00 0.00 179.01 177.35 3kir h LEU 109 N -1.27 0.50 0.24 1.33 3.38 -0.46 0.18 115.31 119.21 3kir h LEU 109 Ca -0.11 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3kir h LEU 109 Cb 0.81 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3kir h LEU 109 CO 0.18 0.00 -0.24 0.58 0.09 0.00 0.00 178.44 179.05 3kir h VAL 110 N 0.39 0.00 -0.63 1.22 2.07 -0.60 -1.58 116.25 117.12 3kir h VAL 110 Ca 0.67 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.25 3kir h VAL 110 Cb 1.61 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.29 3kir h VAL 110 CO -0.44 0.00 -0.50 -0.33 0.02 0.00 0.00 177.57 176.32 3kir h GLU 111 N -0.48 -0.16 -0.66 1.57 4.39 0.23 0.82 114.58 120.29 3kir h GLU 111 Ca -0.03 0.01 0.19 0.00 0.34 0.00 0.00 59.36 59.87 3kir h GLU 111 Cb 0.41 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 3kir h GLU 111 CO -0.03 -0.11 0.76 0.00 -1.16 0.00 0.00 179.01 178.48 3kir h ARG 112 N -0.17 0.00 0.14 2.33 2.47 -1.04 0.22 114.38 118.33 3kir h ARG 112 Ca 0.10 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 3kir h ARG 112 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 3kir h ARG 112 CO -0.68 0.00 -0.07 0.00 0.56 0.00 0.00 179.97 179.78 3kir h ALA 113 N 1.09 -0.19 0.00 0.04 0.00 0.17 -3.08 119.26 117.29 3kir h ALA 113 Ca 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3kir h ALA 113 Cb 1.84 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3kir h ALA 113 CO -0.00 -0.17 0.00 0.36 0.00 0.00 0.00 179.25 179.43 3kir n LYS 114 N -4.90 0.63 0.00 0.00 2.85 -0.53 -2.04 118.16 114.17 3kir n LYS 114 Ca -0.02 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.05 3kir n LYS 114 Cb 0.08 -1.18 -0.14 0.00 -0.65 0.00 0.00 35.03 33.14 3kir n LYS 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kir n ALA 115 N -0.68 1.01 1.81 0.58 0.00 0.65 -3.47 120.51 120.40 3kir n ALA 115 Ca 0.05 -0.61 0.09 0.00 0.00 0.00 0.00 53.44 52.97 3kir n ALA 115 Cb 0.03 -0.73 0.52 0.00 0.00 0.00 0.00 19.45 19.26 3kir n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kir n ALA 116 N -2.89 2.51 -3.63 0.00 0.00 -0.87 -3.99 120.51 111.63 3kir n ALA 116 Ca -0.28 -0.11 -0.29 0.00 0.00 0.00 0.00 53.44 52.76 3kir n ALA 116 Cb 1.05 -1.28 -0.12 0.00 0.00 0.00 0.00 19.45 19.09 3kir n ALA 116 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3kir s GLN 117 N -2.00 1.24 0.00 0.00 -1.52 -1.22 -4.92 119.66 111.24 3kir s GLN 117 Ca 0.26 -2.07 0.00 0.00 -1.95 0.00 0.00 55.36 51.60 3kir s GLN 117 Cb 0.12 -2.13 0.00 0.00 -0.22 0.00 0.00 33.01 30.78 3kir s GLN 117 CO 0.20 -1.23 0.47 0.41 -0.25 0.00 0.00 175.29 174.89