#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir n VAL 3 N 0.00 0.00 0.05 5.15 0.31 -1.26 -4.56 118.33 118.02 3kir n VAL 3 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 3kir n VAL 3 Cb 0.00 -0.08 -0.06 0.00 -0.91 0.00 0.00 33.84 32.79 3kir n VAL 3 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3kir h LYS 4 N 0.42 0.00 -4.37 5.55 2.10 -2.06 -3.48 116.57 114.74 3kir h LYS 4 Ca 0.00 0.00 -0.44 0.00 -2.00 0.00 0.00 60.65 58.21 3kir h LYS 4 Cb 0.00 0.00 0.13 0.00 -0.90 0.00 0.00 32.23 31.46 3kir h LYS 4 CO 0.00 0.27 -0.81 -1.33 -2.00 0.00 0.00 179.45 175.57 3kir n MET 5 N -2.89 0.00 -3.78 0.07 2.81 -1.26 -5.01 117.12 107.05 3kir n MET 5 Ca -0.07 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.78 3kir n MET 5 Cb 0.79 -0.73 -0.01 0.00 -0.71 0.00 0.00 33.22 32.56 3kir n MET 5 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 3kir s HIS 6 N -1.42 -0.14 0.04 2.03 -3.43 -1.26 -5.05 115.29 106.07 3kir s HIS 6 Ca 0.42 -0.21 0.02 0.00 -0.80 0.00 0.00 55.06 54.49 3kir s HIS 6 Cb -0.38 0.66 0.15 0.00 -1.43 0.00 0.00 32.58 31.58 3kir s HIS 6 CO 0.48 -0.93 0.19 0.28 -2.00 0.00 0.00 174.74 172.76 3kir n VAL 7 N -0.47 -0.05 -4.22 -5.38 0.31 -1.26 -4.82 118.33 102.44 3kir n VAL 7 Ca -0.06 0.24 -0.11 0.00 -0.01 0.00 0.00 64.34 64.41 3kir n VAL 7 Cb 0.60 -0.39 -0.03 0.00 -0.91 0.00 0.00 33.84 33.11 3kir n VAL 7 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kir n LYS 8 N -3.36 0.69 0.00 5.55 4.01 -1.26 -4.87 118.16 118.92 3kir n LYS 8 Ca 0.04 -1.58 0.00 0.00 -0.51 0.00 0.00 58.31 56.27 3kir n LYS 8 Cb 0.14 0.91 0.00 0.00 -0.51 0.00 0.00 35.03 35.58 3kir n LYS 8 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 3kir n LYS 9 N -0.40 0.00 -0.85 1.97 2.85 -1.26 -5.02 118.16 115.44 3kir n LYS 9 Ca -0.02 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.09 3kir n LYS 9 Cb 0.28 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.70 3kir n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kir n GLY 10 N 0.00 3.97 0.00 2.58 0.00 -1.26 -3.49 105.19 107.00 3kir n GLY 10 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3kir n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kir n ASP 11 N 0.34 2.00 -4.69 1.61 5.68 -1.26 -4.34 116.55 115.90 3kir n ASP 11 Ca 0.29 -0.59 -0.41 0.00 -0.50 0.00 0.00 54.79 53.58 3kir n ASP 11 Cb 0.61 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.54 3kir n ASP 11 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3kir s THR 12 N -0.18 4.95 0.31 2.12 2.01 -1.26 -2.92 115.64 120.66 3kir s THR 12 Ca 0.00 1.53 0.03 0.00 0.31 0.00 0.00 61.69 63.56 3kir s THR 12 Cb 0.00 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 3kir s THR 12 CO 0.00 0.12 0.09 0.54 -0.69 0.00 0.00 174.62 174.68 3kir s VAL 13 N 1.63 0.80 -0.06 3.82 0.11 -0.27 -2.68 120.40 123.76 3kir s VAL 13 Ca 0.37 -2.00 0.04 0.00 -2.93 0.00 0.00 61.98 57.47 3kir s VAL 13 Cb -0.17 -2.65 -0.00 0.00 -1.53 0.00 0.00 36.38 32.03 3kir s VAL 13 CO 0.15 0.00 -0.19 -0.22 -3.33 0.00 0.00 175.10 171.50 3kir s LEU 14 N -3.43 1.94 0.22 2.54 2.96 0.20 -0.60 118.68 122.51 3kir s LEU 14 Ca 0.35 -0.41 -0.29 0.00 -0.22 0.00 0.00 54.13 53.56 3kir s LEU 14 Cb 0.07 -1.11 -0.09 0.00 0.50 0.00 0.00 46.19 45.57 3kir s LEU 14 CO 0.15 0.16 0.90 -0.69 -1.32 0.00 0.00 176.35 175.55 3kir s VAL 15 N 0.13 4.14 -0.01 1.68 1.01 -1.26 -0.12 120.40 125.97 3kir s VAL 15 Ca -0.08 2.00 0.01 0.00 0.00 0.00 0.00 61.98 63.91 3kir s VAL 15 Cb -0.14 -4.29 0.02 0.00 0.00 0.00 0.00 36.38 31.97 3kir s VAL 15 CO 0.04 0.50 0.75 0.00 0.00 0.00 0.00 175.10 176.39 3kir n ALA 16 N 1.53 1.50 0.00 5.51 0.00 -0.55 0.58 120.51 129.08 3kir n ALA 16 Ca -0.03 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3kir n ALA 16 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3kir n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kir n SER 17 N -0.25 0.00 -3.42 0.00 3.41 -1.26 -4.79 113.62 107.31 3kir n SER 17 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3kir n SER 17 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3kir n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kir n GLY 18 N 0.10 -2.76 0.18 5.00 0.00 -1.26 -4.61 105.19 101.83 3kir n GLY 18 Ca 0.00 -0.93 0.13 0.00 0.00 0.00 0.00 46.02 45.22 3kir n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kir h LYS 19 N 0.00 0.00 -1.16 1.61 1.57 -2.02 -2.75 116.57 113.82 3kir h LYS 19 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 3kir h LYS 19 Cb 0.00 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.08 3kir h LYS 19 CO 0.00 0.00 0.63 0.66 -0.57 0.00 0.00 179.45 180.17 3kir n TYR 20 N -2.65 2.46 -1.65 -1.35 4.02 -1.26 -4.96 117.16 111.77 3kir n TYR 20 Ca 0.03 -2.25 -0.48 0.00 -0.01 0.00 0.00 57.90 55.19 3kir n TYR 20 Cb 0.39 -1.10 -0.05 0.00 -0.02 0.00 0.00 39.34 38.56 3kir n TYR 20 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3kir n LYS 21 N -0.49 2.06 -2.02 -0.72 0.00 -1.04 -3.93 118.16 112.03 3kir n LYS 21 Ca 0.48 0.73 -0.02 0.00 0.00 0.00 0.00 58.31 59.50 3kir n LYS 21 Cb 0.87 -2.68 -0.02 0.00 0.00 0.00 0.00 35.03 33.19 3kir n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kir n GLY 22 N 4.74 -4.00 0.00 3.14 0.00 0.20 -4.94 105.19 104.33 3kir n GLY 22 Ca 0.25 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.86 3kir n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kir n ARG 23 N 0.74 1.46 -2.44 1.61 5.12 -1.24 -4.88 116.66 117.03 3kir n ARG 23 Ca -0.18 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.73 3kir n ARG 23 Cb 0.28 -0.12 -0.01 0.00 -1.16 0.00 0.00 32.46 31.45 3kir n ARG 23 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3kir n VAL 24 N 0.00 -4.14 -4.05 1.55 0.31 -1.24 -4.89 118.33 105.88 3kir n VAL 24 Ca 0.00 0.88 -0.13 0.00 -0.01 0.00 0.00 64.34 65.09 3kir n VAL 24 Cb 0.00 -3.17 -0.11 0.00 -0.91 0.00 0.00 33.84 29.64 3kir n VAL 24 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3kir s GLY 25 N -0.18 0.46 0.00 2.92 0.00 0.23 -4.95 107.32 105.80 3kir s GLY 25 Ca -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 43.97 3kir s GLY 25 CO 0.09 -0.77 0.00 1.17 0.00 0.00 0.00 173.10 173.59 3kir n LYS 26 N 1.54 2.22 -0.77 2.90 4.81 -1.26 -1.11 118.16 126.49 3kir n LYS 26 Ca -0.23 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 56.93 3kir n LYS 26 Cb 0.55 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.63 3kir n LYS 26 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3kir n VAL 27 N -0.00 0.00 -0.74 3.15 0.31 -1.15 -4.41 118.33 115.49 3kir n VAL 27 Ca 0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 3kir n VAL 27 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3kir n VAL 27 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kir n LYS 28 N 1.94 0.90 -2.99 5.55 5.02 -1.23 -3.45 118.16 123.89 3kir n LYS 28 Ca -0.02 -0.84 -0.07 0.00 -2.02 0.00 0.00 58.31 55.37 3kir n LYS 28 Cb 0.47 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 3kir n LYS 28 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3kir n GLU 29 N -0.17 -0.46 -1.10 1.97 4.71 -1.26 -0.75 120.64 123.58 3kir n GLU 29 Ca 0.00 0.07 -0.34 0.00 -0.01 0.00 0.00 57.16 56.88 3kir n GLU 29 Cb 0.44 -0.40 0.11 0.00 -1.01 0.00 0.00 31.44 30.57 3kir n GLU 29 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3kir n VAL 30 N -1.18 1.57 0.00 2.62 0.31 -1.26 -4.59 118.33 115.81 3kir n VAL 30 Ca -0.07 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 3kir n VAL 30 Cb 0.16 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 3kir n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kir n LEU 31 N -1.85 2.16 -0.66 7.52 7.99 -1.05 -4.99 117.00 126.11 3kir n LEU 31 Ca 0.11 0.00 0.06 0.00 -0.01 0.00 0.00 56.01 56.17 3kir n LEU 31 Cb 0.51 0.00 0.17 0.00 -0.11 0.00 0.00 43.42 43.99 3kir n LEU 31 CO 0.49 0.00 0.64 -0.81 -1.51 0.00 0.00 177.39 176.20 3kir n PRO 32 N -0.57 2.89 -0.42 3.23 -0.04 -1.26 -4.93 135.00 133.89 3kir n PRO 32 Ca 0.00 -2.18 0.35 0.00 -0.04 0.00 0.00 63.50 61.62 3kir n PRO 32 Cb 0.00 -1.37 0.63 0.00 -0.04 0.00 0.00 33.50 32.72 3kir n PRO 32 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3kir h LYS 33 N 1.91 0.13 -0.02 0.54 3.64 -1.94 1.53 116.57 122.36 3kir h LYS 33 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3kir h LYS 33 Cb 0.86 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3kir h LYS 33 CO 0.04 0.08 -0.20 1.63 -2.27 0.00 0.00 179.45 178.73 3kir n LYS 34 N -4.69 1.70 -3.20 1.90 5.02 -1.26 -5.00 118.16 112.63 3kir n LYS 34 Ca 0.35 -1.38 -0.15 0.00 -2.02 0.00 0.00 58.31 55.12 3kir n LYS 34 Cb 1.34 -1.41 0.07 0.00 -0.02 0.00 0.00 35.03 35.02 3kir n LYS 34 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3kir n TYR 35 N 0.60 -2.16 -4.18 2.13 9.36 0.52 -4.90 117.16 118.53 3kir n TYR 35 Ca 0.10 0.82 -0.12 0.00 3.32 0.00 0.00 57.90 62.03 3kir n TYR 35 Cb 0.48 -4.36 -0.10 0.00 -0.63 0.00 0.00 39.34 34.73 3kir n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3kir s ALA 36 N -3.35 1.04 0.00 2.98 0.00 -1.26 -0.56 121.76 120.61 3kir s ALA 36 Ca 0.24 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.58 3kir s ALA 36 Cb -0.03 1.35 0.00 0.00 0.00 0.00 0.00 23.12 24.44 3kir s ALA 36 CO 0.68 -0.61 0.00 1.33 0.00 0.00 0.00 175.76 177.15 3kir n VAL 37 N -0.28 0.00 0.00 0.00 0.24 -0.64 -2.54 118.33 115.12 3kir n VAL 37 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 3kir n VAL 37 Cb 0.66 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 3kir n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kir n ILE 38 N 0.00 0.00 0.00 1.34 0.13 0.07 -4.41 119.36 116.49 3kir n ILE 38 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 3kir n ILE 38 Cb 0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 39.64 38.64 3kir n ILE 38 CO 0.00 0.00 0.00 0.52 2.80 0.00 0.00 176.55 179.87 3kir n VAL 39 N -2.19 0.00 -1.32 9.51 0.31 -1.22 -4.08 118.33 119.34 3kir n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kir n VAL 39 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3kir n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kir n GLU 40 N 14.00 0.00 -0.15 5.55 -0.58 -1.26 -4.78 120.64 133.42 3kir n GLU 40 Ca 0.00 -0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 3kir n GLU 40 Cb 0.00 -0.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.53 3kir n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kir n GLY 41 N 0.00 -0.15 2.06 0.62 0.00 -1.26 -4.85 105.19 101.62 3kir n GLY 41 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.25 3kir n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kir n VAL 42 N -0.94 -0.85 -3.91 1.61 0.31 -1.26 -3.97 118.33 109.33 3kir n VAL 42 Ca 0.00 0.10 -0.30 0.00 -0.01 0.00 0.00 64.34 64.13 3kir n VAL 42 Cb 0.00 -1.71 -0.15 0.00 -0.91 0.00 0.00 33.84 31.07 3kir n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3kir s ASN 43 N -0.20 4.02 0.23 4.52 -0.87 -1.26 0.60 114.94 121.97 3kir s ASN 43 Ca 0.00 -1.42 0.05 0.00 -1.57 0.00 0.00 52.86 49.92 3kir s ASN 43 Cb 0.00 -1.19 -0.03 0.00 -0.02 0.00 0.00 41.25 40.01 3kir s ASN 43 CO 0.00 -0.29 0.32 -0.63 -2.57 0.00 0.00 177.10 173.92 3kir s ILE 44 N 1.36 5.11 -0.55 0.60 1.01 -1.25 -5.02 121.20 122.46 3kir s ILE 44 Ca 0.00 -1.02 -0.22 0.00 0.00 0.00 0.00 60.65 59.41 3kir s ILE 44 Cb -0.19 -3.75 0.05 0.00 0.01 0.00 0.00 42.46 38.58 3kir s ILE 44 CO -0.10 -0.30 0.83 -0.69 0.00 0.00 0.00 174.94 174.69 3kir s VAL 45 N -1.97 4.55 0.69 2.92 1.01 -1.26 -4.21 120.40 122.13 3kir s VAL 45 Ca 0.34 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 3kir s VAL 45 Cb -0.09 -4.48 0.04 0.00 0.00 0.00 0.00 36.38 31.85 3kir s VAL 45 CO 0.28 -1.05 1.02 -0.75 0.00 0.00 0.00 175.10 174.60 3kir s LYS 46 N 3.49 2.48 -0.24 2.72 2.20 -1.26 -4.91 119.74 124.21 3kir s LYS 46 Ca 0.24 -0.02 -0.16 0.00 -0.36 0.00 0.00 55.97 55.67 3kir s LYS 46 Cb -0.16 -2.15 -0.12 0.00 -1.51 0.00 0.00 37.83 33.90 3kir s LYS 46 CO 0.15 -1.10 -0.25 1.63 -0.36 0.00 0.00 175.35 175.42 3kir n LYS 47 N -2.89 0.57 -2.43 4.03 4.01 -1.26 -2.61 118.16 117.57 3kir n LYS 47 Ca 0.07 0.32 -0.01 0.00 -0.51 0.00 0.00 58.31 58.18 3kir n LYS 47 Cb 0.59 -1.54 -0.01 0.00 -0.51 0.00 0.00 35.03 33.56 3kir n LYS 47 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kir n ALA 48 N -4.11 -1.97 -1.01 7.82 0.00 -1.26 -1.56 120.51 118.42 3kir n ALA 48 Ca -0.40 0.73 -0.30 0.00 0.00 0.00 0.00 53.44 53.46 3kir n ALA 48 Cb 0.75 -1.83 0.14 0.00 0.00 0.00 0.00 19.45 18.50 3kir n ALA 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kir s VAL 49 N -0.38 2.66 -1.20 0.00 1.01 -1.26 -3.96 120.40 117.26 3kir s VAL 49 Ca -0.06 0.21 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 3kir s VAL 49 Cb 0.00 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 3kir s VAL 49 CO 0.17 -0.28 1.97 -2.11 0.00 0.00 0.00 175.10 174.86 3kir n ARG 50 N -3.96 2.40 -3.45 2.72 -4.01 -1.26 -4.87 116.66 104.23 3kir n ARG 50 Ca 0.09 -2.58 -0.38 0.00 -1.04 0.00 0.00 57.85 53.93 3kir n ARG 50 Cb 0.53 -3.34 -0.09 0.00 -3.04 0.00 0.00 32.46 26.52 3kir n ARG 50 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 3kir s VAL 51 N 5.35 5.22 0.20 8.89 1.01 -1.22 -4.78 120.40 135.07 3kir s VAL 51 Ca 0.55 0.48 -0.16 0.00 0.00 0.00 0.00 61.98 62.86 3kir s VAL 51 Cb 0.09 -3.65 0.19 0.00 0.00 0.00 0.00 36.38 33.01 3kir s VAL 51 CO 0.05 0.21 1.62 0.28 0.00 0.00 0.00 175.10 177.25 3kir h SER 52 N 8.03 -0.70 -0.17 3.32 0.02 -1.79 0.12 113.55 122.37 3kir h SER 52 Ca -0.33 0.19 0.05 0.00 -0.84 0.00 0.00 61.79 60.86 3kir h SER 52 Cb 1.17 0.42 -0.03 0.00 0.14 0.00 0.00 62.40 64.09 3kir h SER 52 CO 0.64 -0.23 0.03 -2.65 -1.14 0.00 0.00 176.83 173.48 3kir n PRO 53 N -5.42 -0.01 0.00 3.45 -0.02 -1.26 -3.25 135.00 128.48 3kir n PRO 53 Ca 0.06 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3kir n PRO 53 Cb 0.33 -0.42 0.00 0.00 -0.02 0.00 0.00 33.50 33.39 3kir n PRO 53 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3kir n LYS 54 N -3.83 0.73 -1.85 -0.52 5.02 -1.15 -4.94 118.16 111.62 3kir n LYS 54 Ca 0.05 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.05 3kir n LYS 54 Cb 0.16 -0.22 0.04 0.00 -0.02 0.00 0.00 35.03 34.99 3kir n LYS 54 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3kir n TYR 55 N -0.36 3.01 0.00 2.13 4.01 0.33 -4.93 117.16 121.35 3kir n TYR 55 Ca 0.00 -2.60 0.00 0.00 -0.16 0.00 0.00 57.90 55.14 3kir n TYR 55 Cb 0.00 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.30 3kir n TYR 55 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3kir n PRO 56 N -0.73 0.00 0.00 -0.72 -0.04 -0.74 -3.37 135.00 129.39 3kir n PRO 56 Ca 0.50 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 64.45 3kir n PRO 56 Cb 0.77 -0.76 0.00 0.00 -0.04 0.00 0.00 33.50 33.47 3kir n PRO 56 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3kir n GLN 57 N -2.21 2.80 0.00 0.54 6.02 -1.26 -4.37 117.38 118.90 3kir n GLN 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3kir n GLN 57 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3kir n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kir n GLY 58 N 5.00 1.47 0.72 1.08 0.00 -1.26 -4.81 105.19 107.40 3kir n GLY 58 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.58 3kir n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kir n GLY 59 N 0.00 -1.58 0.00 -0.02 0.00 -1.26 -4.71 105.19 97.62 3kir n GLY 59 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3kir n GLY 59 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kir n PHE 60 N 0.89 0.00 -3.63 1.61 -0.00 -0.60 -4.87 117.46 110.85 3kir n PHE 60 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.32 3kir n PHE 60 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 39.48 39.41 3kir n PHE 60 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.76 175.26 3kir s ILE 61 N 0.00 0.00 0.19 -2.13 2.07 -1.07 -4.88 121.20 115.38 3kir s ILE 61 Ca 0.00 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.25 3kir s ILE 61 Cb 0.00 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.54 3kir s ILE 61 CO 0.00 0.00 0.04 -0.70 -1.91 0.00 0.00 174.94 172.37 3kir s GLU 62 N 0.43 1.18 0.00 3.50 -6.30 -1.26 -4.45 118.70 111.79 3kir s GLU 62 Ca -0.00 -1.59 0.00 0.00 -2.50 0.00 0.00 54.97 50.88 3kir s GLU 62 Cb -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 34.13 33.91 3kir s GLU 62 CO -0.01 -0.21 0.00 0.36 0.02 0.00 0.00 175.26 175.42 3kir n LYS 63 N -0.29 0.00 -3.41 4.30 2.85 -1.26 -4.85 118.16 115.50 3kir n LYS 63 Ca -0.04 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.93 3kir n LYS 63 Cb 0.64 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.99 3kir n LYS 63 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3kir s GLU 64 N 3.68 3.62 0.46 -1.58 8.01 -1.26 -3.80 118.70 127.83 3kir s GLU 64 Ca 0.00 -0.05 0.08 0.00 0.01 0.00 0.00 54.97 55.02 3kir s GLU 64 Cb 0.00 -2.68 0.03 0.00 -4.31 0.00 0.00 34.13 27.17 3kir s GLU 64 CO 0.00 0.26 0.62 0.00 0.01 0.00 0.00 175.26 176.15 3kir s ALA 65 N -2.03 4.56 -0.04 5.21 0.00 0.20 -4.91 121.76 124.75 3kir s ALA 65 Ca 0.43 -1.81 -0.10 0.00 0.00 0.00 0.00 51.96 50.49 3kir s ALA 65 Cb -0.11 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.42 3kir s ALA 65 CO 0.29 -0.44 0.47 -1.35 0.00 0.00 0.00 175.76 174.74 3kir h PRO 66 N 0.53 -0.34 -2.86 0.00 0.11 -1.87 -3.42 132.00 124.14 3kir h PRO 66 Ca -0.37 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3kir h PRO 66 Cb 1.28 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.47 3kir h PRO 66 CO 0.45 -0.22 -0.43 -0.11 -0.21 0.00 0.00 178.00 177.47 3kir n LEU 67 N -4.38 -3.94 -4.52 2.35 7.94 -1.26 -3.29 117.00 109.90 3kir n LEU 67 Ca -0.04 1.35 -0.51 0.00 -1.11 0.00 0.00 56.01 55.70 3kir n LEU 67 Cb 0.14 -1.98 -0.05 0.00 0.53 0.00 0.00 43.42 42.06 3kir n LEU 67 CO 0.10 -1.05 0.54 1.57 -1.11 0.00 0.00 177.39 177.44 3kir n HIS 68 N 0.83 0.78 -0.25 1.96 -0.00 -1.26 -1.61 115.22 115.66 3kir n HIS 68 Ca 0.00 0.83 0.07 0.00 -0.00 0.00 0.00 57.72 58.62 3kir n HIS 68 Cb 0.00 -2.17 0.32 0.00 -0.00 0.00 0.00 29.99 28.14 3kir n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kir h ALA 69 N 2.80 1.66 0.00 1.57 0.00 -1.11 -1.05 119.26 123.13 3kir h ALA 69 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3kir h ALA 69 Cb 1.38 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3kir h ALA 69 CO 0.66 0.18 0.00 1.03 0.00 0.00 0.00 179.25 181.12 3kir h SER 70 N 0.84 0.00 0.10 0.00 0.87 -1.90 -2.85 113.55 110.61 3kir h SER 70 Ca 0.38 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.81 3kir h SER 70 Cb 0.35 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 3kir h SER 70 CO -0.15 0.00 -0.44 0.11 -0.53 0.00 0.00 176.83 175.82 3kir h LYS 71 N 0.00 0.42 -5.93 2.24 1.79 -1.53 -3.45 116.57 110.11 3kir h LYS 71 Ca 0.00 -0.22 -0.62 0.00 -2.18 0.00 0.00 60.65 57.63 3kir h LYS 71 Cb 0.19 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.81 3kir h LYS 71 CO 0.00 0.79 -0.47 0.14 -1.08 0.00 0.00 179.45 178.83 3kir s VAL 72 N -4.13 5.36 -0.04 0.50 -7.23 -1.08 -1.48 120.40 112.29 3kir s VAL 72 Ca -0.06 -0.28 0.02 0.00 -1.81 0.00 0.00 61.98 59.84 3kir s VAL 72 Cb 0.12 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.46 3kir s VAL 72 CO 0.81 0.16 -0.08 -0.13 -0.31 0.00 0.00 175.10 175.54 3kir s ARG 73 N -2.43 1.11 0.71 4.82 0.52 0.82 -4.90 118.95 119.60 3kir s ARG 73 Ca 0.35 -0.25 -0.15 0.00 -0.52 0.00 0.00 55.73 55.15 3kir s ARG 73 Cb -0.13 -1.01 0.03 0.00 0.52 0.00 0.00 34.95 34.36 3kir s ARG 73 CO 0.26 0.01 1.18 -1.25 0.02 0.00 0.00 175.30 175.53 3kir s PRO 74 N 0.61 2.30 -0.02 3.54 0.04 -1.26 0.61 135.00 140.81 3kir s PRO 74 Ca -0.10 1.68 -0.08 0.00 0.04 0.00 0.00 61.00 62.54 3kir s PRO 74 Cb -0.13 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.56 3kir s PRO 74 CO 0.01 -1.69 0.17 -1.50 0.04 0.00 0.00 177.00 174.03 3kir s ILE 75 N -2.06 0.05 -0.20 0.56 2.07 -1.09 -4.20 121.20 116.34 3kir s ILE 75 Ca 0.73 -0.44 -0.27 0.00 -1.41 0.00 0.00 60.65 59.25 3kir s ILE 75 Cb -0.27 -0.39 0.08 0.00 0.13 0.00 0.00 42.46 42.01 3kir s ILE 75 CO 0.44 -0.24 0.79 0.00 -1.91 0.00 0.00 174.94 174.02 3kir n PRO 77 N 1.91 -0.90 0.00 0.00 -0.02 -1.26 -4.30 135.00 130.43 3kir n PRO 77 Ca -0.15 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.16 3kir n PRO 77 Cb 0.56 -0.52 0.00 0.00 -0.02 0.00 0.00 33.50 33.52 3kir n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kir n ALA 78 N -2.08 0.00 -3.00 3.55 0.00 -1.26 -5.08 120.51 112.64 3kir n ALA 78 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3kir n ALA 78 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 3kir n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kir n GLY 80 N 4.88 -2.03 0.99 0.00 0.00 -1.26 -3.60 105.19 104.17 3kir n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kir n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kir n LYS 81 N 0.00 -2.57 -0.47 1.61 4.81 -1.26 -4.40 118.16 115.88 3kir n LYS 81 Ca 0.00 1.91 -0.18 0.00 -0.87 0.00 0.00 58.31 59.17 3kir n LYS 81 Cb 0.00 -2.02 0.17 0.00 0.02 0.00 0.00 35.03 33.20 3kir n LYS 81 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3kir n PRO 82 N 0.22 -2.72 -4.64 1.64 -0.02 -1.26 -4.76 135.00 123.46 3kir n PRO 82 Ca 0.00 -0.81 -0.23 0.00 -2.02 0.00 0.00 63.50 60.45 3kir n PRO 82 Cb 0.00 -1.53 -0.15 0.00 -0.02 0.00 0.00 33.50 31.80 3kir n PRO 82 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3kir s THR 83 N -2.07 1.19 0.46 3.45 -4.23 -1.26 -3.63 115.64 109.54 3kir s THR 83 Ca 0.39 -0.71 0.06 0.00 -1.18 0.00 0.00 61.69 60.25 3kir s THR 83 Cb -0.07 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.75 3kir s THR 83 CO 0.34 0.28 0.26 -0.13 -0.54 0.00 0.00 174.62 174.83 3kir s ARG 84 N -0.50 2.28 -0.05 3.99 0.52 -0.30 -4.99 118.95 119.90 3kir s ARG 84 Ca 0.05 -1.90 0.02 0.00 -0.52 0.00 0.00 55.73 53.37 3kir s ARG 84 Cb -0.06 -2.03 0.02 0.00 0.52 0.00 0.00 34.95 33.39 3kir s ARG 84 CO -0.00 -0.30 -0.08 0.08 0.02 0.00 0.00 175.30 175.02 3kir s VAL 85 N -2.66 0.76 -0.03 3.52 1.01 -1.26 -1.38 120.40 120.36 3kir s VAL 85 Ca 0.37 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.11 3kir s VAL 85 Cb 0.01 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 3kir s VAL 85 CO 0.21 0.27 -0.11 -0.60 0.00 0.00 0.00 175.10 174.87 3kir s ARG 86 N 0.75 2.52 0.27 2.72 3.52 0.64 -4.93 118.95 124.45 3kir s ARG 86 Ca -0.12 -0.70 -0.01 0.00 -0.13 0.00 0.00 55.73 54.77 3kir s ARG 86 Cb -0.14 -2.43 0.47 0.00 -1.56 0.00 0.00 34.95 31.29 3kir s ARG 86 CO 0.02 0.62 1.85 1.57 -0.81 0.00 0.00 175.30 178.54 3kir h LYS 87 N 5.06 1.00 0.00 5.12 2.10 -1.88 -2.44 116.57 125.53 3kir h LYS 87 Ca -0.48 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 3kir h LYS 87 Cb 1.16 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 3kir h LYS 87 CO 0.51 0.66 0.00 1.63 -2.00 0.00 0.00 179.45 180.25 3kir n LYS 88 N -4.60 -0.08 -1.19 0.07 4.01 -1.26 -3.47 118.16 111.63 3kir n LYS 88 Ca 0.17 0.02 -0.07 0.00 -0.51 0.00 0.00 58.31 57.92 3kir n LYS 88 Cb 0.28 -2.92 -0.03 0.00 -0.51 0.00 0.00 35.03 31.85 3kir n LYS 88 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3kir n PHE 89 N -2.25 0.00 0.00 2.13 7.35 -1.26 -4.46 117.46 118.96 3kir n PHE 89 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3kir n PHE 89 Cb 0.02 -1.55 0.00 0.00 0.35 0.00 0.00 39.48 38.30 3kir n PHE 89 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 3kir n LEU 90 N -0.76 0.00 0.00 -2.13 -0.00 -1.23 -5.14 117.00 107.74 3kir n LEU 90 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 3kir n LEU 90 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 3kir n LEU 90 CO 0.10 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.87 3kir n GLU 91 N 0.00 1.61 -3.29 1.47 -0.58 -1.24 -5.09 120.64 113.52 3kir n GLU 91 Ca 0.00 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 3kir n GLU 91 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 3kir n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3kir s ASN 92 N -1.46 -0.81 0.18 1.62 2.47 -1.24 -4.61 114.94 111.09 3kir s ASN 92 Ca 0.00 0.75 0.05 0.00 0.42 0.00 0.00 52.86 54.07 3kir s ASN 92 Cb 0.00 1.78 -0.05 0.00 -1.45 0.00 0.00 41.25 41.53 3kir s ASN 92 CO 0.00 -0.15 -0.08 -0.83 -3.72 0.00 0.00 177.10 172.31 3kir s GLY 93 N 2.76 1.24 -0.17 1.21 0.00 -0.92 -5.01 107.32 106.44 3kir s GLY 93 Ca 0.03 -1.59 -0.03 0.00 0.00 0.00 0.00 44.72 43.14 3kir s GLY 93 CO -0.17 -1.64 -0.06 -1.59 0.00 0.00 0.00 173.10 169.65 3kir s LYS 94 N -3.76 3.52 0.03 2.90 -2.85 -1.26 -0.26 119.74 118.06 3kir s LYS 94 Ca 0.20 -0.59 0.05 0.00 -1.00 0.00 0.00 55.97 54.64 3kir s LYS 94 Cb 0.03 -2.87 -0.03 0.00 -2.06 0.00 0.00 37.83 32.90 3kir s LYS 94 CO 0.03 0.12 -0.12 0.15 0.10 0.00 0.00 175.35 175.64 3kir s LYS 95 N 0.65 2.32 0.69 1.78 1.02 -0.48 -4.62 119.74 121.11 3kir s LYS 95 Ca -0.04 -0.85 -0.11 0.00 0.02 0.00 0.00 55.97 54.99 3kir s LYS 95 Cb -0.15 -2.36 0.17 0.00 -0.52 0.00 0.00 37.83 34.98 3kir s LYS 95 CO 0.02 0.57 0.39 -0.89 -0.92 0.00 0.00 175.35 174.52 3kir n ILE 96 N 1.49 0.00 -3.37 2.17 5.41 -1.26 -1.15 119.36 122.64 3kir n ILE 96 Ca -0.15 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.17 3kir n ILE 96 Cb 0.52 -0.44 -0.09 0.00 -0.71 0.00 0.00 39.64 38.92 3kir n ILE 96 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 3kir s ARG 97 N -3.70 3.25 -1.21 0.38 6.06 -1.24 -4.08 118.95 118.41 3kir s ARG 97 Ca 0.30 -0.67 -0.01 0.00 -2.50 0.00 0.00 55.73 52.84 3kir s ARG 97 Cb -0.05 -3.91 -0.01 0.00 0.06 0.00 0.00 34.95 31.04 3kir s ARG 97 CO 0.25 -0.72 0.90 0.28 -2.50 0.00 0.00 175.30 173.52 3kir n VAL 98 N 5.32 -5.91 0.00 7.11 0.31 -1.26 -4.82 118.33 119.09 3kir n VAL 98 Ca -0.09 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 3kir n VAL 98 Cb 0.48 -4.81 0.00 0.00 -0.91 0.00 0.00 33.84 28.60 3kir n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kir n ALA 100 N -0.53 -2.89 -0.87 0.00 0.00 -1.26 -4.90 120.51 110.06 3kir n ALA 100 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3kir n ALA 100 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3kir n ALA 100 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13