#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir s GLU 2 N 0.00 0.88 -0.09 2.12 -1.05 -1.26 -4.11 118.70 115.19 3kir s GLU 2 Ca 0.00 0.64 -0.02 0.00 -0.15 0.00 0.00 54.97 55.43 3kir s GLU 2 Cb 0.00 0.42 -0.03 0.00 -0.44 0.00 0.00 34.13 34.08 3kir s GLU 2 CO 0.00 -0.19 0.02 0.00 0.95 0.00 0.00 175.26 176.04 3kir s ALA 3 N -0.31 3.35 0.23 -0.84 0.00 0.92 -4.92 121.76 120.19 3kir s ALA 3 Ca -0.04 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.21 3kir s ALA 3 Cb -0.03 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 3kir s ALA 3 CO 0.04 0.59 0.08 0.21 0.00 0.00 0.00 175.76 176.67 3kir s LYS 4 N -0.88 2.59 0.00 0.00 2.20 -1.26 -0.09 119.74 122.29 3kir s LYS 4 Ca 0.13 -1.18 0.00 0.00 -0.36 0.00 0.00 55.97 54.56 3kir s LYS 4 Cb -0.11 -2.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.83 3kir s LYS 4 CO 0.02 0.40 0.00 0.00 -0.36 0.00 0.00 175.35 175.42 3kir n ALA 5 N -0.80 0.00 -0.71 3.13 0.00 0.59 -4.63 120.51 118.09 3kir n ALA 5 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3kir n ALA 5 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3kir n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3kir n ILE 6 N 0.00 -1.42 -3.89 0.00 5.41 -1.19 -4.84 119.36 113.42 3kir n ILE 6 Ca 0.00 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.41 3kir n ILE 6 Cb 0.00 -2.08 -0.13 0.00 -0.71 0.00 0.00 39.64 36.71 3kir n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kir s ALA 7 N 0.00 3.01 0.48 -1.39 0.00 0.11 -4.97 121.76 119.01 3kir s ALA 7 Ca 0.00 -2.48 -0.14 0.00 0.00 0.00 0.00 51.96 49.34 3kir s ALA 7 Cb 0.00 -2.18 -0.07 0.00 0.00 0.00 0.00 23.12 20.87 3kir s ALA 7 CO 0.00 -1.71 0.91 1.03 0.00 0.00 0.00 175.76 175.99 3kir s ARG 8 N 1.04 3.88 -1.21 0.00 0.52 -1.26 -2.23 118.95 119.69 3kir s ARG 8 Ca 0.08 0.77 -0.06 0.00 -0.52 0.00 0.00 55.73 56.00 3kir s ARG 8 Cb -0.21 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.01 3kir s ARG 8 CO -0.06 -0.19 0.78 0.66 0.02 0.00 0.00 175.30 176.51 3kir n TYR 9 N -1.50 -2.03 -0.03 -0.53 4.02 -1.10 -4.95 117.16 111.03 3kir n TYR 9 Ca 0.05 0.75 -0.13 0.00 -0.01 0.00 0.00 57.90 58.56 3kir n TYR 9 Cb 0.54 -4.14 -0.11 0.00 -0.02 0.00 0.00 39.34 35.61 3kir n TYR 9 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3kir h VAL 10 N -1.72 1.53 -1.44 -0.72 2.07 -0.50 -3.46 116.25 112.00 3kir h VAL 10 Ca -0.62 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.34 3kir h VAL 10 Cb 1.35 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.71 3kir h VAL 10 CO 0.52 0.40 0.00 -1.14 0.02 0.00 0.00 177.57 177.37 3kir n ARG 11 N -4.77 0.00 -3.62 1.57 0.00 -1.26 -4.86 116.66 103.72 3kir n ARG 11 Ca -0.09 0.14 -0.09 0.00 -0.00 0.00 0.00 57.85 57.81 3kir n ARG 11 Cb 0.33 -0.72 -0.06 0.00 0.00 0.00 0.00 32.46 32.01 3kir n ARG 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 3kir s ILE 12 N -2.48 0.00 0.04 5.15 2.07 -1.18 -4.95 121.20 119.85 3kir s ILE 12 Ca 0.00 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 58.93 3kir s ILE 12 Cb 0.00 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.53 3kir s ILE 12 CO 0.00 0.00 1.33 -0.55 -1.91 0.00 0.00 174.94 173.81 3kir s SER 13 N -0.37 6.91 0.12 4.50 0.15 -1.26 -3.08 113.70 120.67 3kir s SER 13 Ca 0.02 2.13 -0.28 0.00 0.70 0.00 0.00 55.95 58.52 3kir s SER 13 Cb -0.03 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 61.62 3kir s SER 13 CO -0.04 -0.63 1.47 -0.65 1.20 0.00 0.00 173.24 174.59 3kir h PRO 14 N 7.26 -0.22 -1.13 5.44 0.11 -1.91 0.21 132.00 141.76 3kir h PRO 14 Ca -0.40 0.01 0.33 0.00 0.11 0.00 0.00 66.00 66.06 3kir h PRO 14 Cb 1.19 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 3kir h PRO 14 CO 0.87 -0.14 1.19 -0.09 -0.21 0.00 0.00 178.00 179.61 3kir h ARG 15 N -0.23 0.00 0.13 1.05 2.43 -1.96 0.70 114.38 116.51 3kir h ARG 15 Ca 0.09 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.96 3kir h ARG 15 Cb 0.46 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3kir h ARG 15 CO -0.62 0.00 -1.55 0.87 -1.51 0.00 0.00 179.97 177.17 3kir h LYS 16 N 0.00 0.27 0.13 0.20 1.57 -0.96 -3.37 116.57 114.41 3kir h LYS 16 Ca 0.54 -0.47 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3kir h LYS 16 Cb 2.91 0.17 0.00 0.00 0.08 0.00 0.00 32.23 35.39 3kir h LYS 16 CO -0.01 1.22 -0.06 0.28 -0.57 0.00 0.00 179.45 180.31 3kir h VAL 17 N -0.19 1.03 -1.49 0.50 2.07 0.71 -2.91 116.25 115.97 3kir h VAL 17 Ca -0.33 -0.87 0.48 0.00 0.82 0.00 0.00 66.70 66.81 3kir h VAL 17 Cb 1.85 1.56 -0.12 0.00 -1.52 0.00 0.00 31.29 33.06 3kir h VAL 17 CO 0.08 0.20 0.99 0.03 0.02 0.00 0.00 177.57 178.90 3kir h ARG 18 N -0.60 0.03 -0.86 1.57 3.08 -1.31 0.51 114.38 116.80 3kir h ARG 18 Ca -0.02 -0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.15 3kir h ARG 18 Cb 0.46 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.42 3kir h ARG 18 CO 0.03 0.02 0.48 -0.07 -1.07 0.00 0.00 179.97 179.36 3kir h LEU 19 N 0.03 0.65 0.17 3.04 4.07 -1.68 0.51 115.31 122.11 3kir h LEU 19 Ca 0.87 0.07 -0.35 0.00 0.08 0.00 0.00 57.88 58.54 3kir h LEU 19 Cb 2.95 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 44.65 3kir h LEU 19 CO -0.34 0.33 -1.79 -0.37 -1.08 0.00 0.00 178.44 175.19 3kir h VAL 20 N 0.75 0.89 -0.73 1.22 -1.51 -0.15 -3.30 116.25 113.42 3kir h VAL 20 Ca 0.44 -2.49 0.12 0.00 -1.23 0.00 0.00 66.70 63.54 3kir h VAL 20 Cb 0.52 2.72 -0.05 0.00 -2.13 0.00 0.00 31.29 32.35 3kir h VAL 20 CO -0.30 0.86 0.48 0.58 -1.23 0.00 0.00 177.57 177.97 3kir h VAL 21 N 0.10 0.86 0.00 7.19 2.07 -0.80 1.21 116.25 126.88 3kir h VAL 21 Ca -0.36 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3kir h VAL 21 Cb 2.09 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 3kir h VAL 21 CO 0.16 0.09 0.00 0.44 0.02 0.00 0.00 177.57 178.29 3kir h ASP 22 N 0.51 0.00 1.54 0.57 3.45 -0.07 -2.62 116.42 119.80 3kir h ASP 22 Ca 0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.81 3kir h ASP 22 Cb 0.65 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 3kir h ASP 22 CO -0.12 0.00 0.00 0.25 -1.57 0.00 0.00 179.24 177.80 3kir h LEU 23 N 0.00 0.00 -1.93 1.55 5.85 0.14 -3.32 115.31 117.60 3kir h LEU 23 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kir h LEU 23 Cb 0.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3kir h LEU 23 CO 0.00 0.00 0.00 2.30 -0.34 0.00 0.00 178.44 180.40 3kir n ILE 24 N -2.61 0.50 -1.84 4.05 -5.35 -1.00 -5.01 119.36 108.10 3kir n ILE 24 Ca 0.04 -0.65 -0.42 0.00 -0.27 0.00 0.00 62.75 61.45 3kir n ILE 24 Cb 0.43 0.82 -0.03 0.00 -1.74 0.00 0.00 39.64 39.13 3kir n ILE 24 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3kir s ARG 25 N -0.50 4.17 -0.33 6.28 3.52 -1.16 -2.60 118.95 128.32 3kir s ARG 25 Ca 0.00 2.43 -0.01 0.00 -0.13 0.00 0.00 55.73 58.01 3kir s ARG 25 Cb 0.00 -3.81 0.00 0.00 -1.56 0.00 0.00 34.95 29.58 3kir s ARG 25 CO 0.00 -0.83 0.28 0.41 -0.81 0.00 0.00 175.30 174.35 3kir n GLY 26 N 4.20 0.44 3.34 8.12 0.00 -0.61 -5.03 105.19 115.65 3kir n GLY 26 Ca 0.17 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 3kir n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kir s LYS 27 N -4.93 1.30 0.14 1.61 -0.14 -1.07 -4.86 119.74 111.79 3kir s LYS 27 Ca 0.09 -1.47 -0.31 0.00 -1.36 0.00 0.00 55.97 52.92 3kir s LYS 27 Cb -0.04 -1.30 -0.08 0.00 -1.68 0.00 0.00 37.83 34.73 3kir s LYS 27 CO 0.19 0.25 1.36 -1.54 -0.76 0.00 0.00 175.35 174.85 3kir s SER 28 N -2.86 6.85 0.65 2.83 1.04 -1.26 -0.50 113.70 120.45 3kir s SER 28 Ca 0.18 2.35 0.05 0.00 0.48 0.00 0.00 55.95 59.01 3kir s SER 28 Cb -0.04 -2.59 0.19 0.00 0.10 0.00 0.00 66.02 63.67 3kir s SER 28 CO 0.07 -0.61 1.08 0.25 0.98 0.00 0.00 173.24 175.01 3kir h LEU 29 N 6.33 0.00 0.02 2.42 5.85 -1.36 0.52 115.31 129.09 3kir h LEU 29 Ca -0.43 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.05 3kir h LEU 29 Cb 1.21 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 3kir h LEU 29 CO 0.83 0.00 -1.33 -0.08 -0.34 0.00 0.00 178.44 177.52 3kir h GLU 30 N 0.00 0.04 -0.96 1.25 4.81 -1.88 -3.06 114.58 114.78 3kir h GLU 30 Ca 0.08 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3kir h GLU 30 Cb 2.10 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 31.45 3kir h GLU 30 CO -0.00 1.03 0.62 1.49 -0.73 0.00 0.00 179.01 181.42 3kir h GLU 31 N -0.86 1.12 -0.13 1.92 4.81 -0.43 -1.58 114.58 119.43 3kir h GLU 31 Ca -0.35 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 58.83 3kir h GLU 31 Cb 1.40 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 3kir h GLU 31 CO -0.17 0.74 -0.02 0.00 -0.73 0.00 0.00 179.01 178.84 3kir h ALA 32 N 1.42 0.10 -0.22 2.92 0.00 -1.03 0.12 119.26 122.57 3kir h ALA 32 Ca 0.40 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.37 3kir h ALA 32 Cb 0.10 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3kir h ALA 32 CO -0.15 -0.47 0.12 0.00 0.00 0.00 0.00 179.25 178.75 3kir h ARG 33 N 0.02 0.24 -0.79 0.00 3.08 -1.29 -1.94 114.38 113.70 3kir h ARG 33 Ca 0.06 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.17 3kir h ARG 33 Cb 0.09 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.02 3kir h ARG 33 CO -0.12 0.16 0.47 -0.91 -1.07 0.00 0.00 179.97 178.50 3kir h ASN 34 N 0.25 0.72 0.00 7.04 4.21 -0.93 0.31 115.58 127.18 3kir h ASN 34 Ca 0.09 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.62 3kir h ASN 34 Cb 0.00 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.08 3kir h ASN 34 CO -0.05 0.45 0.00 -0.38 -1.29 0.00 0.00 177.43 176.16 3kir n ILE 35 N -4.70 0.00 -0.31 2.81 2.08 0.39 -2.43 119.36 117.20 3kir n ILE 35 Ca 0.11 1.10 0.14 0.00 0.56 0.00 0.00 62.75 64.67 3kir n ILE 35 Cb 0.20 -2.02 0.28 0.00 -0.75 0.00 0.00 39.64 37.35 3kir n ILE 35 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3kir n LEU 36 N -0.90 -0.08 -0.32 1.39 4.77 -0.78 0.23 117.00 121.31 3kir n LEU 36 Ca 0.00 1.55 0.15 0.00 -0.03 0.00 0.00 56.01 57.68 3kir n LEU 36 Cb 0.00 -0.57 0.34 0.00 -2.33 0.00 0.00 43.42 40.86 3kir n LEU 36 CO 0.00 -1.58 1.07 -0.09 -1.33 0.00 0.00 177.39 175.47 3kir h ARG 37 N 0.00 0.41 -0.25 3.23 9.65 -0.19 -2.13 114.38 125.11 3kir h ARG 37 Ca 0.57 -0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 59.32 3kir h ARG 37 Cb 1.19 -0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 29.62 3kir h ARG 37 CO -0.85 0.27 -0.11 0.66 2.80 0.00 0.00 179.97 182.75 3kir n TYR 38 N -5.02 0.79 -3.75 2.20 4.01 0.14 -4.96 117.16 110.56 3kir n TYR 38 Ca 0.24 -1.36 -0.36 0.00 -0.16 0.00 0.00 57.90 56.26 3kir n TYR 38 Cb 0.71 -0.38 -0.11 0.00 -0.31 0.00 0.00 39.34 39.25 3kir n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3kir s THR 39 N -3.11 4.92 -1.33 -0.72 2.01 -0.80 -5.02 115.64 111.58 3kir s THR 39 Ca 0.42 0.03 -0.16 0.00 0.31 0.00 0.00 61.69 62.29 3kir s THR 39 Cb 0.37 -3.29 0.08 0.00 0.01 0.00 0.00 72.50 69.67 3kir s THR 39 CO 0.01 0.34 1.85 -3.20 -0.69 0.00 0.00 174.62 172.93 3kir n ASN 40 N 4.50 4.69 -3.63 3.53 5.15 -1.26 -4.76 115.26 123.47 3kir n ASN 40 Ca -0.15 -2.91 -0.12 0.00 -0.60 0.00 0.00 54.58 50.79 3kir n ASN 40 Cb 0.52 -1.70 -0.07 0.00 -0.53 0.00 0.00 39.78 38.00 3kir n ASN 40 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3kir s LYS 41 N 3.55 0.80 0.58 1.20 -0.14 -1.26 -5.02 119.74 119.45 3kir s LYS 41 Ca 0.51 1.06 0.27 0.00 -1.36 0.00 0.00 55.97 56.44 3kir s LYS 41 Cb 0.06 0.34 1.58 0.00 -1.68 0.00 0.00 37.83 38.13 3kir s LYS 41 CO 0.02 -0.11 2.08 -0.09 -0.76 0.00 0.00 175.35 176.49 3kir h ARG 42 N 5.53 0.00 -0.75 1.68 2.43 -1.98 0.19 114.38 121.47 3kir h ARG 42 Ca -0.29 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.88 3kir h ARG 42 Cb 1.18 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 3kir h ARG 42 CO 0.08 0.00 0.49 0.78 -1.51 0.00 0.00 179.97 179.82 3kir h GLY 43 N 0.00 1.06 0.00 2.80 0.00 -1.95 -3.18 103.07 101.80 3kir h GLY 43 Ca 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3kir h GLY 43 CO -0.00 0.39 0.00 0.00 0.00 0.00 0.00 176.54 176.93 3kir n ALA 44 N -2.42 -0.08 -0.05 3.60 0.00 0.05 -1.95 120.51 119.66 3kir n ALA 44 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 3kir n ALA 44 Cb 0.03 0.39 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 3kir n ALA 44 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kir n TYR 45 N -2.62 -0.05 0.01 0.00 9.36 -1.20 -0.53 117.16 122.12 3kir n TYR 45 Ca 0.00 0.15 -0.10 0.00 3.32 0.00 0.00 57.90 61.28 3kir n TYR 45 Cb 0.00 -0.31 -0.03 0.00 -0.63 0.00 0.00 39.34 38.36 3kir n TYR 45 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3kir h PHE 46 N 0.00 -0.65 -0.19 2.98 0.04 -1.62 -1.03 116.94 116.47 3kir h PHE 46 Ca 0.02 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.84 3kir h PHE 46 Cb 0.05 0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 3kir h PHE 46 CO -0.44 -0.33 0.07 0.28 -0.60 0.00 0.00 178.31 177.29 3kir h VAL 47 N -0.32 0.97 -0.21 -0.55 2.07 -0.37 -1.49 116.25 116.35 3kir h VAL 47 Ca 0.10 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.61 3kir h VAL 47 Cb 0.46 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 3kir h VAL 47 CO -0.30 0.03 -0.44 0.00 0.02 0.00 0.00 177.57 176.89 3kir h ALA 48 N 1.11 -0.58 -0.82 1.67 0.00 -0.55 0.11 119.26 120.20 3kir h ALA 48 Ca 0.08 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.17 3kir h ALA 48 Cb 0.04 0.85 -0.11 0.00 0.00 0.00 0.00 17.79 18.57 3kir h ALA 48 CO -0.07 -0.93 0.32 -0.22 0.00 0.00 0.00 179.25 178.35 3kir h LYS 49 N -0.46 0.39 0.00 0.00 3.64 -0.83 0.18 116.57 119.49 3kir h LYS 49 Ca 0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3kir h LYS 49 Cb 0.62 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3kir h LYS 49 CO -0.45 0.26 0.00 -0.24 -2.27 0.00 0.00 179.45 176.75 3kir h VAL 50 N 0.40 0.00 0.00 2.00 3.04 -0.15 -2.31 116.25 119.24 3kir h VAL 50 Ca 0.48 -0.55 -0.01 0.00 -1.01 0.00 0.00 66.70 65.61 3kir h VAL 50 Cb 0.82 1.50 -0.00 0.00 -2.01 0.00 0.00 31.29 31.59 3kir h VAL 50 CO -0.48 0.00 -0.13 0.25 -1.01 0.00 0.00 177.57 176.20 3kir h LEU 51 N 0.00 0.00 -1.43 3.16 6.46 0.16 -2.72 115.31 120.95 3kir h LEU 51 Ca 0.00 -0.25 0.31 0.00 -0.12 0.00 0.00 57.88 57.83 3kir h LEU 51 Cb 0.70 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 40.53 3kir h LEU 51 CO 0.00 0.70 0.73 -0.08 -0.62 0.00 0.00 178.44 179.17 3kir h GLU 52 N -1.00 0.27 -0.15 1.25 4.57 -0.77 0.64 114.58 119.38 3kir h GLU 52 Ca -0.02 -0.02 -0.21 0.00 -1.18 0.00 0.00 59.36 57.93 3kir h GLU 52 Cb 0.36 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3kir h GLU 52 CO -0.01 0.18 -0.75 1.03 -1.18 0.00 0.00 179.01 178.28 3kir h SER 53 N 0.28 0.87 -0.35 1.04 0.87 -1.49 -2.18 113.55 112.59 3kir h SER 53 Ca 0.65 -0.56 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 3kir h SER 53 Cb 1.84 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.53 3kir h SER 53 CO -0.30 1.35 -0.00 0.00 -0.53 0.00 0.00 176.83 177.34 3kir h ALA 54 N 0.64 0.47 -0.07 6.23 0.00 0.50 -2.93 119.26 124.11 3kir h ALA 54 Ca -0.04 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.64 3kir h ALA 54 Cb 1.36 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3kir h ALA 54 CO 0.15 0.24 -0.07 0.00 0.00 0.00 0.00 179.25 179.57 3kir h ALA 55 N 0.86 -0.02 0.00 0.00 0.00 -0.94 0.59 119.26 119.74 3kir h ALA 55 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kir h ALA 55 Cb 0.46 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3kir h ALA 55 CO 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 179.25 178.73 3kir n ALA 56 N -2.33 1.62 -0.01 0.00 0.00 -0.82 -0.72 120.51 118.24 3kir n ALA 56 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 3kir n ALA 56 Cb 0.13 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 3kir n ALA 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kir n ASN 57 N -0.22 3.43 0.11 0.00 5.03 0.07 -4.02 115.26 119.66 3kir n ASN 57 Ca 0.00 -0.01 -0.14 0.00 0.87 0.00 0.00 54.58 55.31 3kir n ASN 57 Cb 0.02 -0.04 -0.08 0.00 -1.02 0.00 0.00 39.78 38.65 3kir n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kir h ALA 58 N -0.01 -0.93 -2.22 5.41 0.00 0.35 -0.63 119.26 121.22 3kir h ALA 58 Ca -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kir h ALA 58 Cb 1.09 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3kir h ALA 58 CO -0.01 -1.03 0.00 0.28 0.00 0.00 0.00 179.25 178.48 3kir n VAL 59 N -4.91 0.00 -0.32 0.00 0.31 -0.96 -1.42 118.33 111.04 3kir n VAL 59 Ca -0.07 1.13 -0.09 0.00 -0.01 0.00 0.00 64.34 65.30 3kir n VAL 59 Cb 0.34 -2.00 -0.05 0.00 -0.91 0.00 0.00 33.84 31.22 3kir n VAL 59 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 3kir h ASN 60 N 0.00 -1.80 0.18 4.52 -0.73 -1.69 0.64 115.58 116.70 3kir h ASN 60 Ca 0.00 0.29 0.00 0.00 1.87 0.00 0.00 56.30 58.46 3kir h ASN 60 Cb 0.00 0.82 0.00 0.00 0.27 0.00 0.00 38.32 39.41 3kir h ASN 60 CO 0.00 -0.29 -1.12 0.59 -0.37 0.00 0.00 177.43 176.24 3kir n ASN 61 N -5.35 0.68 -0.34 1.15 5.03 -0.27 -4.48 115.26 111.67 3kir n ASN 61 Ca 0.03 -0.53 0.04 0.00 0.87 0.00 0.00 54.58 54.99 3kir n ASN 61 Cb 0.32 1.02 0.06 0.00 -1.02 0.00 0.00 39.78 40.16 3kir n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3kir n HIS 62 N -1.76 0.00 -1.66 3.10 8.25 -0.50 -5.04 115.22 117.60 3kir n HIS 62 Ca 0.02 -0.42 -0.09 0.00 -0.26 0.00 0.00 57.72 56.97 3kir n HIS 62 Cb 0.40 -0.09 0.01 0.00 1.12 0.00 0.00 29.99 31.43 3kir n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3kir n ASP 63 N -0.58 -1.81 -0.01 0.41 5.75 0.21 -4.84 116.55 115.68 3kir n ASP 63 Ca 0.07 -0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.84 3kir n ASP 63 Cb 0.68 -0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 40.25 3kir n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3kir n MET 64 N 0.17 1.89 -1.06 0.11 2.81 -1.11 -4.94 117.12 114.99 3kir n MET 64 Ca -0.02 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 3kir n MET 64 Cb 0.20 -1.08 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 3kir n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3kir n LEU 65 N -1.89 -1.41 -0.41 4.03 7.94 -1.26 -4.73 117.00 119.27 3kir n LEU 65 Ca -0.03 0.00 0.35 0.00 -1.11 0.00 0.00 56.01 55.22 3kir n LEU 65 Cb 0.37 -0.71 0.59 0.00 0.53 0.00 0.00 43.42 44.20 3kir n LEU 65 CO 0.07 0.00 1.05 1.21 -1.11 0.00 0.00 177.39 178.62 3kir n GLU 66 N 0.16 -0.03 0.08 1.96 2.13 -1.26 -0.60 120.64 123.08 3kir n GLU 66 Ca 0.00 1.07 0.10 0.00 0.66 0.00 0.00 57.16 58.99 3kir n GLU 66 Cb 0.00 -2.12 0.42 0.00 0.27 0.00 0.00 31.44 30.01 3kir n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3kir n ASP 67 N -4.39 0.42 -0.23 4.31 8.00 -1.26 -2.99 116.55 120.41 3kir n ASP 67 Ca 0.35 0.61 0.03 0.00 0.71 0.00 0.00 54.79 56.48 3kir n ASP 67 Cb 1.36 -0.70 0.03 0.00 -0.02 0.00 0.00 41.12 41.79 3kir n ASP 67 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kir n ARG 68 N -1.97 0.14 -2.31 -1.24 1.74 0.23 -5.03 116.66 108.22 3kir n ARG 68 Ca 0.02 -0.94 -0.41 0.00 -0.77 0.00 0.00 57.85 55.76 3kir n ARG 68 Cb 0.20 -1.11 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 3kir n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kir s LEU 69 N -0.53 4.48 0.15 0.55 1.43 -1.16 -1.54 118.68 122.06 3kir s LEU 69 Ca 0.07 2.43 -0.09 0.00 -1.03 0.00 0.00 54.13 55.52 3kir s LEU 69 Cb 0.05 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 3kir s LEU 69 CO 0.07 -0.34 0.26 -0.72 0.23 0.00 0.00 176.35 175.84 3kir s TYR 70 N -0.92 0.36 -0.85 0.29 -0.00 -0.91 -0.93 117.35 114.39 3kir s TYR 70 Ca 0.48 -0.74 -0.24 0.00 -0.00 0.00 0.00 57.07 56.57 3kir s TYR 70 Cb -0.35 -0.07 0.05 0.00 -0.00 0.00 0.00 41.96 41.59 3kir s TYR 70 CO 0.45 -0.68 1.28 0.08 -0.00 0.00 0.00 175.55 176.68 3kir s VAL 71 N -3.95 3.98 0.17 -3.49 1.01 0.35 -1.83 120.40 116.65 3kir s VAL 71 Ca 0.15 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.69 3kir s VAL 71 Cb 0.04 -4.92 0.08 0.00 0.00 0.00 0.00 36.38 31.58 3kir s VAL 71 CO -0.02 -1.79 1.78 0.50 0.00 0.00 0.00 175.10 175.56 3kir h LYS 72 N 9.76 0.83 -2.43 2.72 3.64 -1.23 -1.62 116.57 128.24 3kir h LYS 72 Ca -0.07 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3kir h LYS 72 Cb 1.04 -0.16 -0.16 0.00 -0.41 0.00 0.00 32.23 32.54 3kir h LYS 72 CO 1.30 0.65 0.29 0.00 -2.27 0.00 0.00 179.45 179.42 3kir s ALA 73 N -5.81 -1.72 0.03 5.00 0.00 -0.79 -4.71 121.76 113.77 3kir s ALA 73 Ca -0.13 0.94 -0.28 0.00 0.00 0.00 0.00 51.96 52.49 3kir s ALA 73 Cb 0.13 0.39 0.07 0.00 0.00 0.00 0.00 23.12 23.70 3kir s ALA 73 CO 0.77 -0.59 0.65 0.00 0.00 0.00 0.00 175.76 176.59 3kir s ALA 74 N -2.63 -1.70 -0.20 0.00 0.00 -1.26 -0.14 121.76 115.83 3kir s ALA 74 Ca -0.02 0.99 -0.30 0.00 0.00 0.00 0.00 51.96 52.63 3kir s ALA 74 Cb -0.01 0.35 0.15 0.00 0.00 0.00 0.00 23.12 23.61 3kir s ALA 74 CO -0.04 -0.53 1.14 1.52 0.00 0.00 0.00 175.76 177.85 3kir s TYR 75 N -2.20 -0.22 -0.06 0.00 1.13 -0.89 -5.01 117.35 110.09 3kir s TYR 75 Ca -0.06 0.34 0.05 0.00 -1.41 0.00 0.00 57.07 55.98 3kir s TYR 75 Cb -0.00 0.48 -0.00 0.00 -1.10 0.00 0.00 41.96 41.33 3kir s TYR 75 CO 0.01 -0.23 -0.21 0.54 -2.51 0.00 0.00 175.55 173.14 3kir s VAL 76 N -1.39 1.79 0.21 -3.49 0.11 -1.26 -1.13 120.40 115.23 3kir s VAL 76 Ca 0.04 -0.90 0.07 0.00 -2.93 0.00 0.00 61.98 58.26 3kir s VAL 76 Cb -0.01 -1.53 -0.04 0.00 -1.53 0.00 0.00 36.38 33.27 3kir s VAL 76 CO -0.03 0.50 0.10 -1.81 -3.33 0.00 0.00 175.10 170.53 3kir s ASP 77 N 0.09 5.20 0.02 3.54 1.01 -0.58 -4.91 116.67 121.04 3kir s ASP 77 Ca -0.08 -0.31 -0.22 0.00 0.71 0.00 0.00 52.55 52.65 3kir s ASP 77 Cb -0.14 -1.24 -0.05 0.00 1.01 0.00 0.00 42.92 42.49 3kir s ASP 77 CO 0.04 0.03 0.67 -0.70 0.21 0.00 0.00 175.17 175.42 3kir s GLU 78 N -3.39 4.40 0.39 8.23 2.12 -1.26 -0.20 118.70 128.99 3kir s GLU 78 Ca 0.31 0.88 0.04 0.00 0.36 0.00 0.00 54.97 56.56 3kir s GLU 78 Cb -0.09 -3.35 0.04 0.00 0.26 0.00 0.00 34.13 30.99 3kir s GLU 78 CO 0.22 0.34 0.30 0.41 -0.54 0.00 0.00 175.26 176.00 3kir n GLY 79 N 2.40 2.79 3.62 -1.50 0.00 -0.36 -4.88 105.19 107.27 3kir n GLY 79 Ca -0.05 -2.26 -0.40 0.00 0.00 0.00 0.00 46.02 43.31 3kir n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kir n PRO 80 N -1.44 1.23 -3.42 1.61 -0.04 -1.26 -4.38 135.00 127.30 3kir n PRO 80 Ca -0.01 0.45 -0.33 0.00 -0.04 0.00 0.00 63.50 63.58 3kir n PRO 80 Cb 0.45 -2.13 -0.05 0.00 -0.04 0.00 0.00 33.50 31.73 3kir n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kir s ALA 81 N -1.37 3.58 -0.51 0.55 0.00 -1.26 -4.22 121.76 118.52 3kir s ALA 81 Ca 0.68 -0.26 -0.17 0.00 0.00 0.00 0.00 51.96 52.20 3kir s ALA 81 Cb -0.49 -2.44 0.07 0.00 0.00 0.00 0.00 23.12 20.27 3kir s ALA 81 CO 0.53 0.51 0.54 -0.51 0.00 0.00 0.00 175.76 176.83 3kir s LEU 82 N -2.64 5.36 -0.12 0.00 1.02 0.22 -4.95 118.68 117.57 3kir s LEU 82 Ca 0.45 -1.19 -0.28 0.00 0.02 0.00 0.00 54.13 53.13 3kir s LEU 82 Cb -0.12 -2.31 -0.01 0.00 0.02 0.00 0.00 46.19 43.77 3kir s LEU 82 CO 0.21 -0.82 0.95 -0.54 0.02 0.00 0.00 176.35 176.16 3kir s LYS 83 N 2.18 4.39 0.05 1.70 1.02 -1.26 -0.77 119.74 127.05 3kir s LYS 83 Ca 0.10 1.27 0.06 0.00 0.02 0.00 0.00 55.97 57.41 3kir s LYS 83 Cb -0.22 -3.54 -0.02 0.00 -0.52 0.00 0.00 37.83 33.52 3kir s LYS 83 CO 0.09 -0.30 -0.16 1.03 -0.92 0.00 0.00 175.35 175.09 3kir s ARG 84 N 1.97 0.99 -0.36 1.68 1.81 0.18 -4.98 118.95 120.26 3kir s ARG 84 Ca 0.45 -0.86 -0.18 0.00 -1.72 0.00 0.00 55.73 53.42 3kir s ARG 84 Cb -0.18 -1.04 -0.00 0.00 -0.45 0.00 0.00 34.95 33.28 3kir s ARG 84 CO 0.17 0.25 0.51 0.08 -0.68 0.00 0.00 175.30 175.63 3kir s VAL 85 N -0.95 5.01 -0.41 3.52 1.01 -1.26 0.88 120.40 128.20 3kir s VAL 85 Ca 0.02 0.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.15 3kir s VAL 85 Cb -0.09 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 32.36 3kir s VAL 85 CO 0.02 -0.25 0.28 -0.22 0.00 0.00 0.00 175.10 174.93 3kir s LEU 86 N 2.39 5.08 0.13 3.92 2.96 0.19 -4.90 118.68 128.47 3kir s LEU 86 Ca 0.18 -1.14 -0.31 0.00 -0.22 0.00 0.00 54.13 52.64 3kir s LEU 86 Cb -0.15 -2.08 -0.08 0.00 0.50 0.00 0.00 46.19 44.37 3kir s LEU 86 CO 0.14 -0.49 1.38 -2.16 -1.32 0.00 0.00 176.35 173.90 3kir s PRO 87 N 1.58 4.33 0.53 0.98 0.04 -1.26 0.88 135.00 142.07 3kir s PRO 87 Ca 0.03 2.09 0.05 0.00 0.04 0.00 0.00 61.00 63.21 3kir s PRO 87 Cb -0.21 -3.23 0.03 0.00 0.04 0.00 0.00 34.50 31.12 3kir s PRO 87 CO 0.07 -0.41 0.36 1.03 0.04 0.00 0.00 177.00 178.08 3kir s ARG 88 N 0.86 2.26 0.50 4.56 1.81 -1.26 -4.78 118.95 122.91 3kir s ARG 88 Ca 0.63 -2.01 -0.22 0.00 -1.72 0.00 0.00 55.73 52.41 3kir s ARG 88 Cb -0.37 -2.07 -0.06 0.00 -0.45 0.00 0.00 34.95 32.00 3kir s ARG 88 CO 0.32 -0.55 1.22 0.00 -0.68 0.00 0.00 175.30 175.61 3kir s ALA 89 N -2.75 2.88 -0.64 2.13 0.00 -1.26 -3.29 121.76 118.83 3kir s ALA 89 Ca 0.33 1.04 -0.00 0.00 0.00 0.00 0.00 51.96 53.33 3kir s ALA 89 Cb -0.02 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3kir s ALA 89 CO 0.20 -0.89 0.04 0.54 0.00 0.00 0.00 175.76 175.65 3kir n ARG 90 N -0.77 -0.81 -2.20 0.00 1.74 -1.26 -3.39 116.66 109.97 3kir n ARG 90 Ca 0.09 0.36 -0.19 0.00 -0.77 0.00 0.00 57.85 57.34 3kir n ARG 90 Cb 0.48 -4.24 -0.02 0.00 -1.02 0.00 0.00 32.46 27.65 3kir n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kir n GLY 91 N -1.01 0.02 0.19 -0.13 0.00 -1.21 -4.94 105.19 98.10 3kir n GLY 91 Ca -0.08 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 3kir n GLY 91 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kir h ARG 92 N 0.00 -0.36 -3.96 1.61 3.08 -1.56 -3.48 114.38 109.71 3kir h ARG 92 Ca -0.44 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3kir h ARG 92 Cb 1.31 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.44 3kir h ARG 92 CO 0.54 -0.01 -0.74 0.00 -1.07 0.00 0.00 179.97 178.69 3kir n ALA 93 N -2.56 -2.40 -2.32 0.04 0.00 -1.26 -4.81 120.51 107.19 3kir n ALA 93 Ca -0.08 0.47 -0.22 0.00 0.00 0.00 0.00 53.44 53.60 3kir n ALA 93 Cb 0.26 -1.25 -0.05 0.00 0.00 0.00 0.00 19.45 18.42 3kir n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kir s ASP 94 N -0.43 4.81 -0.29 0.00 -0.00 0.25 -4.85 116.67 116.15 3kir s ASP 94 Ca -0.02 -0.87 0.02 0.00 -0.00 0.00 0.00 52.55 51.68 3kir s ASP 94 Cb 0.00 -0.55 0.07 0.00 -0.00 0.00 0.00 42.92 42.44 3kir s ASP 94 CO 0.05 -0.59 -0.03 0.27 -0.00 0.00 0.00 175.17 174.86 3kir s ILE 95 N -2.51 2.45 0.21 0.77 -4.36 -1.26 0.56 121.20 117.07 3kir s ILE 95 Ca 0.45 -1.74 -0.23 0.00 -0.26 0.00 0.00 60.65 58.87 3kir s ILE 95 Cb -0.01 -2.52 -0.08 0.00 1.25 0.00 0.00 42.46 41.10 3kir s ILE 95 CO 0.26 -0.20 0.78 -0.51 0.24 0.00 0.00 174.94 175.51 3kir s ILE 96 N 1.10 4.42 -0.55 8.37 2.07 0.25 -4.84 121.20 132.03 3kir s ILE 96 Ca -0.03 1.55 -0.07 0.00 -1.41 0.00 0.00 60.65 60.69 3kir s ILE 96 Cb -0.20 -4.01 0.14 0.00 0.13 0.00 0.00 42.46 38.53 3kir s ILE 96 CO -0.05 0.34 0.41 -0.54 -1.91 0.00 0.00 174.94 173.19 3kir s LYS 97 N -1.63 2.58 -0.60 3.50 1.02 -1.26 -0.64 119.74 122.71 3kir s LYS 97 Ca 0.41 -2.06 -0.27 0.00 0.02 0.00 0.00 55.97 54.07 3kir s LYS 97 Cb -0.20 -3.90 -0.01 0.00 -0.52 0.00 0.00 37.83 33.20 3kir s LYS 97 CO 0.24 -1.19 1.78 0.15 -0.92 0.00 0.00 175.35 175.41 3kir s LYS 98 N 0.81 2.77 1.07 1.68 -0.14 0.05 -4.84 119.74 121.14 3kir s LYS 98 Ca 0.11 0.57 -0.14 0.00 -1.36 0.00 0.00 55.97 55.15 3kir s LYS 98 Cb -0.22 -4.34 0.23 0.00 -1.68 0.00 0.00 37.83 31.82 3kir s LYS 98 CO -0.03 -2.57 1.09 1.03 -0.76 0.00 0.00 175.35 174.10 3kir s ARG 99 N 6.73 -0.19 0.01 1.68 1.81 -1.26 -0.61 118.95 127.12 3kir s ARG 99 Ca 0.64 0.40 0.01 0.00 -1.72 0.00 0.00 55.73 55.06 3kir s ARG 99 Cb -0.13 -1.68 -0.01 0.00 -0.45 0.00 0.00 34.95 32.69 3kir s ARG 99 CO 0.21 -3.12 -0.04 0.99 -0.68 0.00 0.00 175.30 172.66 3kir s THR 100 N -2.91 0.30 0.19 0.02 2.01 -1.25 -3.09 115.64 110.91 3kir s THR 100 Ca 0.67 -0.44 0.11 0.00 0.31 0.00 0.00 61.69 62.34 3kir s THR 100 Cb -0.17 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 3kir s THR 100 CO 0.58 -0.10 -0.20 -0.44 -0.69 0.00 0.00 174.62 173.77 3kir s SER 101 N -0.57 3.64 -0.50 3.53 0.01 -1.18 -1.22 113.70 117.42 3kir s SER 101 Ca -0.03 -0.79 0.03 0.00 1.31 0.00 0.00 55.95 56.47 3kir s SER 101 Cb -0.04 -0.37 0.15 0.00 0.21 0.00 0.00 66.02 65.96 3kir s SER 101 CO -0.00 0.12 0.31 -1.00 0.41 0.00 0.00 173.24 173.08 3kir s HIS 102 N -1.65 2.26 -0.19 2.43 3.76 0.72 0.14 115.29 122.75 3kir s HIS 102 Ca 0.21 -2.65 -0.27 0.00 -0.15 0.00 0.00 55.06 52.20 3kir s HIS 102 Cb -0.08 -1.97 -0.00 0.00 1.11 0.00 0.00 32.58 31.63 3kir s HIS 102 CO 0.11 -0.74 0.93 0.42 -0.85 0.00 0.00 174.74 174.61 3kir s ILE 103 N -0.11 4.79 -0.03 0.60 1.01 -0.95 -1.52 121.20 124.99 3kir s ILE 103 Ca 0.21 1.83 0.05 0.00 0.00 0.00 0.00 60.65 62.74 3kir s ILE 103 Cb -0.16 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.06 3kir s ILE 103 CO -0.06 -0.07 -0.16 -0.89 0.00 0.00 0.00 174.94 173.76 3kir s THR 104 N 2.62 2.91 -0.02 2.92 2.01 -0.28 0.08 115.64 125.87 3kir s THR 104 Ca 0.41 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.55 3kir s THR 104 Cb -0.16 -2.15 0.01 0.00 0.01 0.00 0.00 72.50 70.21 3kir s THR 104 CO 0.10 0.53 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.86 3kir s VAL 105 N -0.77 0.21 -0.06 3.82 1.01 -1.26 -2.09 120.40 121.26 3kir s VAL 105 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 3kir s VAL 105 Cb -0.11 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.07 3kir s VAL 105 CO 0.02 0.10 0.01 0.27 0.00 0.00 0.00 175.10 175.50 3kir s ILE 106 N 0.45 0.25 0.10 2.22 -4.36 0.80 -0.30 121.20 120.37 3kir s ILE 106 Ca -0.04 0.18 -0.05 0.00 -0.26 0.00 0.00 60.65 60.48 3kir s ILE 106 Cb -0.07 -0.42 -0.05 0.00 1.25 0.00 0.00 42.46 43.16 3kir s ILE 106 CO -0.01 0.23 0.34 -0.76 0.24 0.00 0.00 174.94 174.98 3kir s LEU 107 N 1.89 4.31 0.00 0.37 1.02 0.86 -0.71 118.68 126.42 3kir s LEU 107 Ca 0.03 0.56 0.06 0.00 0.02 0.00 0.00 54.13 54.80 3kir s LEU 107 Cb -0.12 -3.11 -0.02 0.00 0.02 0.00 0.00 46.19 42.95 3kir s LEU 107 CO -0.04 0.12 0.23 0.61 0.02 0.00 0.00 176.35 177.28 3kir n GLY 108 N 0.39 3.06 3.67 -3.19 0.00 -0.76 -0.06 105.19 108.30 3kir n GLY 108 Ca -0.05 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 3kir n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kir s GLU 109 N -3.38 2.95 0.81 1.61 2.02 -1.26 -2.13 118.70 119.32 3kir s GLU 109 Ca 0.32 -0.43 -0.12 0.00 0.02 0.00 0.00 54.97 54.77 3kir s GLU 109 Cb 0.02 -2.77 0.08 0.00 0.10 0.00 0.00 34.13 31.56 3kir s GLU 109 CO 0.23 0.70 1.14 0.21 0.02 0.00 0.00 175.26 177.56 3kir s LYS 110 N -0.88 1.93 0.00 1.61 2.47 -0.59 -4.98 119.74 119.30 3kir s LYS 110 Ca 0.13 0.30 0.00 0.00 -1.56 0.00 0.00 55.97 54.85 3kir s LYS 110 Cb -0.11 -1.93 0.00 0.00 -1.46 0.00 0.00 37.83 34.33 3kir s LYS 110 CO 0.02 -1.65 0.00 -2.39 0.16 0.00 0.00 175.35 171.49 3kir n HIS 111 N -3.39 0.00 0.00 4.03 1.44 -1.26 -5.02 115.22 111.01 3kir n HIS 111 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 3kir n HIS 111 Cb 0.59 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.70 3kir n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kir n GLY 112 N 0.00 2.68 0.51 -1.39 0.00 -1.26 -5.22 105.19 100.51 3kir n GLY 112 Ca 0.00 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.18 3kir n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60