#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir s ILE 2 N 0.00 4.91 0.25 2.02 -1.09 0.70 -4.81 121.20 123.19 3kir s ILE 2 Ca 0.00 1.57 0.01 0.00 -2.23 0.00 0.00 60.65 60.01 3kir s ILE 2 Cb 0.00 -4.10 -0.05 0.00 -1.58 0.00 0.00 42.46 36.74 3kir s ILE 2 CO 0.00 0.29 0.11 0.00 -1.23 0.00 0.00 174.94 174.11 3kir s GLN 3 N 0.49 1.40 0.21 2.79 -2.07 -1.26 0.16 119.66 121.37 3kir s GLN 3 Ca 0.39 -1.76 -0.32 0.00 -1.82 0.00 0.00 55.36 51.86 3kir s GLN 3 Cb -0.19 -0.14 -0.12 0.00 -1.09 0.00 0.00 33.01 31.48 3kir s GLN 3 CO 0.21 -0.34 1.69 -1.25 -1.32 0.00 0.00 175.29 174.28 3kir s PRO 4 N -4.03 4.14 0.00 9.60 0.04 -1.26 -1.80 135.00 141.69 3kir s PRO 4 Ca 0.38 2.57 0.00 0.00 0.04 0.00 0.00 61.00 63.99 3kir s PRO 4 Cb 0.07 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.53 3kir s PRO 4 CO 0.14 -0.72 0.00 0.94 0.04 0.00 0.00 177.00 177.40 3kir n GLN 5 N 3.83 0.00 -2.47 4.56 -0.06 0.30 -4.97 117.38 118.57 3kir n GLN 5 Ca 0.15 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.74 3kir n GLN 5 Cb 0.36 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.50 3kir n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3kir s THR 6 N -2.06 3.61 -0.07 1.69 2.01 -0.74 -4.71 115.64 115.37 3kir s THR 6 Ca 0.00 1.51 -0.18 0.00 0.31 0.00 0.00 61.69 63.33 3kir s THR 6 Cb 0.00 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 3kir s THR 6 CO 0.00 0.31 0.48 -0.31 -0.69 0.00 0.00 174.62 174.42 3kir s TYR 7 N -0.74 3.59 -0.07 4.92 1.51 -1.26 -0.91 117.35 124.39 3kir s TYR 7 Ca 0.47 0.96 0.05 0.00 -1.01 0.00 0.00 57.07 57.54 3kir s TYR 7 Cb -0.31 -2.51 -0.00 0.00 -0.11 0.00 0.00 41.96 39.03 3kir s TYR 7 CO 0.39 0.30 -0.22 -0.51 -1.11 0.00 0.00 175.55 174.39 3kir s LEU 8 N 0.14 2.02 0.04 -1.29 1.02 0.75 -4.82 118.68 116.54 3kir s LEU 8 Ca 0.26 -0.48 -0.30 0.00 0.02 0.00 0.00 54.13 53.62 3kir s LEU 8 Cb -0.16 -1.27 -0.05 0.00 0.02 0.00 0.00 46.19 44.72 3kir s LEU 8 CO 0.12 0.19 1.22 -0.70 0.02 0.00 0.00 176.35 177.20 3kir s GLU 9 N 0.08 4.40 -0.17 1.70 2.56 0.79 -2.11 118.70 125.94 3kir s GLU 9 Ca -0.09 1.78 -0.17 0.00 0.00 0.00 0.00 54.97 56.49 3kir s GLU 9 Cb -0.15 -3.40 -0.04 0.00 2.00 0.00 0.00 34.13 32.55 3kir s GLU 9 CO 0.05 -0.32 0.46 0.14 -0.56 0.00 0.00 175.26 175.03 3kir s VAL 10 N 1.37 5.17 -0.95 3.70 -7.23 -0.95 -1.16 120.40 120.36 3kir s VAL 10 Ca 0.59 0.87 -0.01 0.00 -1.81 0.00 0.00 61.98 61.62 3kir s VAL 10 Cb -0.29 -3.79 0.31 0.00 0.56 0.00 0.00 36.38 33.16 3kir s VAL 10 CO 0.28 0.26 1.42 0.00 -0.31 0.00 0.00 175.10 176.75 3kir n ALA 11 N 4.25 5.23 -3.83 1.32 0.00 -0.20 -4.89 120.51 122.40 3kir n ALA 11 Ca -0.07 -4.74 -0.05 0.00 0.00 0.00 0.00 53.44 48.58 3kir n ALA 11 Cb 0.51 -1.92 0.01 0.00 0.00 0.00 0.00 19.45 18.05 3kir n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3kir s ASP 12 N -1.95 -0.08 -0.04 0.00 3.84 -1.26 -2.45 116.67 114.73 3kir s ASP 12 Ca 0.36 -0.74 0.19 0.00 -0.00 0.00 0.00 52.55 52.36 3kir s ASP 12 Cb 0.13 0.63 0.60 0.00 -1.38 0.00 0.00 42.92 42.91 3kir s ASP 12 CO -0.00 -1.23 1.50 -0.46 -0.00 0.00 0.00 175.17 174.98 3kir n ASN 13 N -0.98 3.81 0.00 2.11 0.23 -1.26 -4.44 115.26 114.72 3kir n ASN 13 Ca -0.05 -2.15 0.00 0.00 -0.53 0.00 0.00 54.58 51.84 3kir n ASN 13 Cb 0.60 -0.48 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 3kir n ASN 13 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3kir n THR 14 N 1.25 0.83 0.00 5.53 -2.24 -1.26 -4.67 114.28 113.72 3kir n THR 14 Ca 0.22 0.41 0.00 0.00 -2.27 0.00 0.00 64.05 62.42 3kir n THR 14 Cb 0.65 -1.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 3kir n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kir n GLY 15 N -1.16 2.03 3.80 3.38 0.00 -1.26 -3.01 105.19 108.97 3kir n GLY 15 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3kir n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kir s ALA 16 N -2.44 3.30 -0.24 4.61 0.00 -1.26 -0.83 121.76 124.89 3kir s ALA 16 Ca 0.00 0.35 -0.10 0.00 0.00 0.00 0.00 51.96 52.21 3kir s ALA 16 Cb 0.00 -3.01 -0.11 0.00 0.00 0.00 0.00 23.12 20.00 3kir s ALA 16 CO 0.00 0.25 -0.30 0.54 0.00 0.00 0.00 175.76 176.25 3kir n ARG 17 N 0.57 0.53 -3.84 0.00 5.12 0.07 -4.73 116.66 114.39 3kir n ARG 17 Ca 0.00 0.21 -0.15 0.00 -1.93 0.00 0.00 57.85 55.99 3kir n ARG 17 Cb 0.51 -1.39 -0.15 0.00 -1.16 0.00 0.00 32.46 30.26 3kir n ARG 17 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3kir s LYS 18 N -2.45 0.05 0.10 5.56 1.02 0.10 -2.23 119.74 121.89 3kir s LYS 18 Ca -0.34 0.11 0.10 0.00 0.02 0.00 0.00 55.97 55.87 3kir s LYS 18 Cb 0.12 -0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.16 3kir s LYS 18 CO 0.45 -0.11 -0.26 0.96 -0.92 0.00 0.00 175.35 175.46 3kir s ILE 19 N 0.77 2.19 -0.10 2.17 -4.36 -0.90 -0.57 121.20 120.39 3kir s ILE 19 Ca -0.07 -1.64 -0.03 0.00 -0.26 0.00 0.00 60.65 58.65 3kir s ILE 19 Cb -0.10 -1.92 -0.03 0.00 1.25 0.00 0.00 42.46 41.66 3kir s ILE 19 CO -0.02 0.16 0.02 -0.32 0.24 0.00 0.00 174.94 175.03 3kir s MET 20 N -1.81 3.17 -0.02 0.37 -2.45 0.67 -0.18 119.30 119.05 3kir s MET 20 Ca 0.13 -0.37 -0.30 0.00 -1.25 0.00 0.00 55.69 53.90 3kir s MET 20 Cb -0.10 -2.89 -0.05 0.00 1.25 0.00 0.00 34.83 33.04 3kir s MET 20 CO 0.05 0.65 1.39 0.00 1.05 0.00 0.00 175.02 178.16 3kir n ILE 22 N 4.78 1.50 -3.60 0.00 2.08 -0.20 -0.54 119.36 123.38 3kir n ILE 22 Ca 0.13 -0.77 -0.08 0.00 0.56 0.00 0.00 62.75 62.59 3kir n ILE 22 Cb 0.44 -0.89 -0.05 0.00 -0.75 0.00 0.00 39.64 38.39 3kir n ILE 22 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3kir s ARG 23 N -2.53 0.46 -0.17 0.38 3.52 -1.14 -4.81 118.95 114.66 3kir s ARG 23 Ca -0.14 0.15 -0.15 0.00 -0.13 0.00 0.00 55.73 55.45 3kir s ARG 23 Cb 0.07 0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 33.64 3kir s ARG 23 CO 0.78 -0.14 0.36 0.54 -0.81 0.00 0.00 175.30 176.03 3kir s VAL 24 N -0.97 5.25 -0.24 7.11 0.11 -1.26 -0.98 120.40 129.42 3kir s VAL 24 Ca 0.01 0.66 0.02 0.00 -2.93 0.00 0.00 61.98 59.74 3kir s VAL 24 Cb -0.01 -3.70 0.27 0.00 -1.53 0.00 0.00 36.38 31.41 3kir s VAL 24 CO -0.01 0.32 1.32 0.18 -3.33 0.00 0.00 175.10 173.58 3kir n LEU 25 N 3.98 4.29 0.00 2.54 4.77 -0.21 -4.73 117.00 127.64 3kir n LEU 25 Ca -0.10 -2.23 0.00 0.00 -0.03 0.00 0.00 56.01 53.65 3kir n LEU 25 Cb 0.51 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3kir n LEU 25 CO 0.40 0.68 0.00 0.29 -1.33 0.00 0.00 177.39 177.43 3kir n LYS 26 N -0.10 0.00 0.00 3.23 5.02 -1.26 -4.89 118.16 120.15 3kir n LYS 26 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 3kir n LYS 26 Cb 0.92 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.93 3kir n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kir n GLY 27 N 3.78 0.94 0.95 0.72 0.00 -1.26 -4.93 105.19 105.38 3kir n GLY 27 Ca 0.00 -1.37 0.08 0.00 0.00 0.00 0.00 46.02 44.73 3kir n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kir n SER 28 N 0.00 3.73 0.00 1.61 3.41 -1.26 -4.60 113.62 116.50 3kir n SER 28 Ca 0.00 -2.50 0.00 0.00 -0.26 0.00 0.00 58.87 56.11 3kir n SER 28 Cb 0.00 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 3kir n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kir n ASN 29 N 0.25 0.00 -4.71 4.04 0.23 -1.26 -5.14 115.26 108.68 3kir n ASN 29 Ca 0.19 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.81 3kir n ASN 29 Cb 0.71 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.38 3kir n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kir n ALA 30 N 0.00 2.49 0.06 -2.53 0.00 -1.26 -4.92 120.51 114.36 3kir n ALA 30 Ca 0.00 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.69 3kir n ALA 30 Cb 0.00 -2.52 -0.09 0.00 0.00 0.00 0.00 19.45 16.84 3kir n ALA 30 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kir h LYS 31 N 7.16 -0.17 -5.53 0.00 1.57 -1.97 -3.46 116.57 114.17 3kir h LYS 31 Ca -0.44 0.01 -0.56 0.00 -1.87 0.00 0.00 60.65 57.79 3kir h LYS 31 Cb 1.21 0.04 -0.13 0.00 0.08 0.00 0.00 32.23 33.43 3kir h LYS 31 CO 0.95 0.19 -0.62 0.71 -0.57 0.00 0.00 179.45 180.10 3kir s TYR 32 N -4.59 2.24 0.01 -1.35 1.51 -1.26 -4.72 117.35 109.18 3kir s TYR 32 Ca -0.15 -0.75 0.05 0.00 -1.01 0.00 0.00 57.07 55.22 3kir s TYR 32 Cb 0.02 -1.47 -0.02 0.00 -0.11 0.00 0.00 41.96 40.39 3kir s TYR 32 CO 0.61 0.30 -0.17 0.00 -1.11 0.00 0.00 175.55 175.18 3kir s ALA 33 N -2.94 1.40 0.00 3.71 0.00 0.43 -4.91 121.76 119.45 3kir s ALA 33 Ca 0.34 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.51 3kir s ALA 33 Cb 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.88 3kir s ALA 33 CO 0.16 0.33 0.00 -2.37 0.00 0.00 0.00 175.76 173.88 3kir n THR 34 N 2.38 0.00 -1.68 0.00 5.66 -1.26 -0.21 114.28 119.17 3kir n THR 34 Ca -0.16 0.00 -0.50 0.00 -3.05 0.00 0.00 64.05 60.35 3kir n THR 34 Cb 0.54 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.27 3kir n THR 34 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3kir n VAL 35 N 0.00 0.41 -0.09 1.08 0.31 -1.26 -0.72 118.33 118.06 3kir n VAL 35 Ca 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3kir n VAL 35 Cb 0.00 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 3kir n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kir n GLY 36 N 4.12 0.51 3.88 2.92 0.00 0.12 -4.81 105.19 111.92 3kir n GLY 36 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 3kir n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kir s ASP 37 N -2.79 6.54 -0.01 1.61 1.01 0.10 -4.86 116.67 118.27 3kir s ASP 37 Ca 0.00 0.63 -0.10 0.00 0.71 0.00 0.00 52.55 53.79 3kir s ASP 37 Cb 0.00 -2.11 -0.05 0.00 1.01 0.00 0.00 42.92 41.77 3kir s ASP 37 CO 0.00 0.21 0.30 -0.69 0.21 0.00 0.00 175.17 175.20 3kir s VAL 38 N -1.36 5.24 0.04 -1.27 1.01 -1.26 -0.93 120.40 121.86 3kir s VAL 38 Ca 0.31 0.42 -0.07 0.00 0.00 0.00 0.00 61.98 62.63 3kir s VAL 38 Cb -0.13 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 3kir s VAL 38 CO 0.18 0.48 0.14 0.27 0.00 0.00 0.00 175.10 176.17 3kir s ILE 39 N -1.19 0.12 0.32 2.22 -4.36 0.82 -1.04 121.20 118.09 3kir s ILE 39 Ca 0.24 -0.97 -0.09 0.00 -0.26 0.00 0.00 60.65 59.57 3kir s ILE 39 Cb -0.14 -0.87 -0.06 0.00 1.25 0.00 0.00 42.46 42.64 3kir s ILE 39 CO 0.13 -0.54 0.64 -0.69 0.24 0.00 0.00 174.94 174.72 3kir s VAL 40 N -2.50 4.89 0.21 8.37 1.01 -0.15 -0.87 120.40 131.36 3kir s VAL 40 Ca -0.06 0.41 -0.22 0.00 0.00 0.00 0.00 61.98 62.11 3kir s VAL 40 Cb -0.02 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.71 3kir s VAL 40 CO -0.04 -0.33 0.69 0.00 0.00 0.00 0.00 175.10 175.42 3kir s ALA 41 N -2.12 -1.44 0.08 5.51 0.00 0.16 -1.04 121.76 122.92 3kir s ALA 41 Ca 0.48 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.61 3kir s ALA 41 Cb -0.11 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 3kir s ALA 41 CO 0.28 -0.91 -0.03 0.45 0.00 0.00 0.00 175.76 175.54 3kir s SER 42 N -2.83 4.82 -0.52 0.00 0.15 0.12 -0.20 113.70 115.24 3kir s SER 42 Ca 0.07 -0.22 -0.21 0.00 0.70 0.00 0.00 55.95 56.29 3kir s SER 42 Cb -0.03 -1.09 0.05 0.00 -1.71 0.00 0.00 66.02 63.23 3kir s SER 42 CO -0.03 0.19 0.72 -0.69 1.20 0.00 0.00 173.24 174.64 3kir s VAL 43 N -1.24 4.72 0.13 4.45 1.01 -1.02 -0.24 120.40 128.22 3kir s VAL 43 Ca 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 3kir s VAL 43 Cb -0.11 -4.37 -0.19 0.00 0.00 0.00 0.00 36.38 31.70 3kir s VAL 43 CO 0.15 -0.90 1.30 0.11 0.00 0.00 0.00 175.10 175.76 3kir h LYS 44 N 9.09 0.34 -2.57 2.72 1.79 -1.17 -1.43 116.57 125.35 3kir h LYS 44 Ca -0.27 -0.39 -0.10 0.00 -2.18 0.00 0.00 60.65 57.70 3kir h LYS 44 Cb 1.09 0.12 -0.24 0.00 -1.58 0.00 0.00 32.23 31.62 3kir h LYS 44 CO 1.00 1.09 -0.17 -1.83 -1.08 0.00 0.00 179.45 178.46 3kir s GLU 45 N -3.17 0.54 0.13 3.15 -1.05 -0.84 -4.85 118.70 112.61 3kir s GLU 45 Ca -0.05 0.69 -0.06 0.00 -0.15 0.00 0.00 54.97 55.40 3kir s GLU 45 Cb 0.09 0.24 -0.02 0.00 -0.44 0.00 0.00 34.13 34.00 3kir s GLU 45 CO 0.86 -0.08 0.17 0.00 0.95 0.00 0.00 175.26 177.16 3kir s ALA 46 N 0.40 0.23 0.63 -0.84 0.00 -1.26 -0.72 121.76 120.20 3kir s ALA 46 Ca -0.01 -1.01 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 3kir s ALA 46 Cb -0.04 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 3kir s ALA 46 CO -0.01 -0.54 1.05 -1.50 0.00 0.00 0.00 175.76 174.76 3kir s ILE 47 N -3.96 3.94 0.00 0.00 2.07 -0.01 -4.84 121.20 118.40 3kir s ILE 47 Ca 0.15 0.80 0.00 0.00 -1.41 0.00 0.00 60.65 60.19 3kir s ILE 47 Cb 0.05 -3.41 0.00 0.00 0.13 0.00 0.00 42.46 39.24 3kir s ILE 47 CO -0.03 -0.66 0.16 -2.65 -1.91 0.00 0.00 174.94 169.86 3kir n PRO 48 N -2.45 0.00 -0.73 3.50 -0.02 -1.26 -4.68 135.00 129.37 3kir n PRO 48 Ca 0.08 0.14 -0.29 0.00 -2.02 0.00 0.00 63.50 61.40 3kir n PRO 48 Cb 0.53 -0.66 0.25 0.00 -0.02 0.00 0.00 33.50 33.60 3kir n PRO 48 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kir s ARG 49 N -0.33 -1.38 0.00 -0.52 1.81 -1.26 -4.98 118.95 112.30 3kir s ARG 49 Ca 0.00 0.36 0.00 0.00 -1.72 0.00 0.00 55.73 54.37 3kir s ARG 49 Cb 0.00 -1.54 0.00 0.00 -0.45 0.00 0.00 34.95 32.96 3kir s ARG 49 CO 0.00 -3.91 0.00 0.41 -0.68 0.00 0.00 175.30 171.12 3kir n GLY 50 N 0.23 3.46 0.12 -3.53 0.00 -1.26 -4.89 105.19 99.32 3kir n GLY 50 Ca 0.08 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.07 3kir n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kir h ALA 51 N 0.00 -0.09 -2.97 4.61 0.00 -1.90 -3.45 119.26 115.46 3kir h ALA 51 Ca 0.00 -0.75 -0.58 0.00 0.00 0.00 0.00 54.91 53.58 3kir h ALA 51 Cb 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.83 3kir h ALA 51 CO 0.00 0.46 -0.21 0.08 0.00 0.00 0.00 179.25 179.58 3kir s VAL 52 N -2.46 5.23 0.34 0.00 1.01 -1.16 -5.09 120.40 118.26 3kir s VAL 52 Ca -0.13 0.79 0.07 0.00 0.00 0.00 0.00 61.98 62.71 3kir s VAL 52 Cb 0.02 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 3kir s VAL 52 CO 0.85 0.33 0.36 -0.54 0.00 0.00 0.00 175.10 176.10 3kir s LYS 53 N 0.68 2.86 0.36 2.72 -0.14 -1.26 -4.55 119.74 120.41 3kir s LYS 53 Ca 0.22 -1.20 -0.27 0.00 -1.36 0.00 0.00 55.97 53.36 3kir s LYS 53 Cb -0.14 -2.59 -0.09 0.00 -1.68 0.00 0.00 37.83 33.32 3kir s LYS 53 CO 0.08 0.08 1.25 -1.21 -0.76 0.00 0.00 175.35 174.78 3kir s GLU 54 N -4.06 4.20 0.00 1.68 2.02 -1.26 -3.22 118.70 118.06 3kir s GLU 54 Ca 0.42 2.06 0.00 0.00 0.02 0.00 0.00 54.97 57.47 3kir s GLU 54 Cb -0.07 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.26 3kir s GLU 54 CO 0.28 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.71 3kir n GLY 55 N 0.76 0.63 3.74 -1.39 0.00 -0.54 -4.96 105.19 103.45 3kir n GLY 55 Ca 0.02 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 3kir n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kir s ASP 56 N -2.65 5.98 -0.57 1.61 -0.00 -1.20 -4.87 116.67 114.98 3kir s ASP 56 Ca 0.00 0.25 -0.23 0.00 -0.00 0.00 0.00 52.55 52.58 3kir s ASP 56 Cb 0.00 -1.97 0.05 0.00 -0.00 0.00 0.00 42.92 41.00 3kir s ASP 56 CO 0.00 0.27 0.88 -0.69 -0.00 0.00 0.00 175.17 175.64 3kir s VAL 57 N -0.22 4.47 0.40 -1.27 1.01 -1.26 -2.43 120.40 121.10 3kir s VAL 57 Ca 0.09 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.11 3kir s VAL 57 Cb -0.12 -4.53 -0.07 0.00 0.00 0.00 0.00 36.38 31.67 3kir s VAL 57 CO 0.01 -1.13 0.06 0.68 0.00 0.00 0.00 175.10 174.71 3kir s VAL 58 N 3.70 2.16 0.01 2.92 -7.23 0.72 -4.89 120.40 117.79 3kir s VAL 58 Ca 0.25 -1.92 0.03 0.00 -1.81 0.00 0.00 61.98 58.53 3kir s VAL 58 Cb -0.15 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 3kir s VAL 58 CO 0.15 -0.03 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.34 3kir s LYS 59 N -3.76 2.62 0.09 4.82 1.02 -1.26 0.39 119.74 123.66 3kir s LYS 59 Ca 0.37 -0.70 -0.20 0.00 0.02 0.00 0.00 55.97 55.46 3kir s LYS 59 Cb 0.07 -2.56 0.05 0.00 -0.52 0.00 0.00 37.83 34.87 3kir s LYS 59 CO 0.19 0.60 0.48 0.00 -0.92 0.00 0.00 175.35 175.71 3kir s ALA 60 N -1.07 -1.20 -0.11 5.17 0.00 -0.05 -0.18 121.76 124.32 3kir s ALA 60 Ca 0.19 0.32 -0.00 0.00 0.00 0.00 0.00 51.96 52.47 3kir s ALA 60 Cb -0.11 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 3kir s ALA 60 CO 0.10 -0.59 -0.09 0.54 0.00 0.00 0.00 175.76 175.71 3kir s VAL 61 N -3.15 3.47 0.19 0.00 0.11 0.06 -0.13 120.40 120.95 3kir s VAL 61 Ca -0.01 -0.53 -0.30 0.00 -2.93 0.00 0.00 61.98 58.20 3kir s VAL 61 Cb 0.00 -2.46 -0.09 0.00 -1.53 0.00 0.00 36.38 32.31 3kir s VAL 61 CO -0.07 0.54 1.36 -0.69 -3.33 0.00 0.00 175.10 172.91 3kir s VAL 62 N -0.10 3.12 -0.00 2.04 1.01 -0.10 -1.21 120.40 125.16 3kir s VAL 62 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3kir s VAL 62 Cb -0.13 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.68 3kir s VAL 62 CO 0.03 0.12 0.68 1.33 0.00 0.00 0.00 175.10 177.26 3kir n VAL 63 N 2.92 0.34 -3.15 2.92 0.24 -0.25 -0.71 118.33 120.64 3kir n VAL 63 Ca 0.08 -0.35 0.05 0.00 -2.04 0.00 0.00 64.34 62.08 3kir n VAL 63 Cb 0.42 0.81 -0.02 0.00 -1.47 0.00 0.00 33.84 33.59 3kir n VAL 63 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3kir s ARG 64 N -0.35 0.18 0.23 7.34 3.52 -1.10 -3.50 118.95 125.26 3kir s ARG 64 Ca 0.00 0.31 0.07 0.00 -0.13 0.00 0.00 55.73 55.99 3kir s ARG 64 Cb 0.00 0.17 -0.04 0.00 -1.56 0.00 0.00 34.95 33.53 3kir s ARG 64 CO 0.00 -0.20 0.12 0.95 -0.81 0.00 0.00 175.30 175.35 3kir s THR 65 N 2.96 4.14 -0.69 4.11 -4.23 -1.25 0.06 115.64 120.73 3kir s THR 65 Ca -0.00 -1.47 0.24 0.00 -1.18 0.00 0.00 61.69 59.28 3kir s THR 65 Cb -0.10 -3.19 -0.02 0.00 1.34 0.00 0.00 72.50 70.53 3kir s THR 65 CO -0.11 -0.28 1.23 1.17 -0.54 0.00 0.00 174.62 176.08 3kir n LYS 66 N -0.84 0.24 -3.41 3.99 4.81 -1.18 -2.61 118.16 119.17 3kir n LYS 66 Ca -0.08 0.04 -0.40 0.00 -0.87 0.00 0.00 58.31 57.00 3kir n LYS 66 Cb 0.57 -1.62 -0.09 0.00 0.02 0.00 0.00 35.03 33.91 3kir n LYS 66 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3kir s LYS 67 N -3.15 3.66 0.20 1.64 2.47 -1.26 -4.65 119.74 118.66 3kir s LYS 67 Ca 0.06 -0.34 -0.30 0.00 -1.56 0.00 0.00 55.97 53.84 3kir s LYS 67 Cb 0.14 -3.77 -0.16 0.00 -1.46 0.00 0.00 37.83 32.58 3kir s LYS 67 CO 0.75 -0.46 0.75 -0.85 0.16 0.00 0.00 175.35 175.70 3kir n GLU 68 N 5.35 0.43 -3.79 4.03 0.00 -1.26 -4.68 120.64 120.71 3kir n GLU 68 Ca -0.09 0.15 -0.37 0.00 0.00 0.00 0.00 57.16 56.85 3kir n GLU 68 Cb 0.50 -1.33 -0.06 0.00 0.00 0.00 0.00 31.44 30.54 3kir n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3kir s ILE 69 N -0.84 5.42 0.06 3.84 1.09 0.03 -4.90 121.20 125.90 3kir s ILE 69 Ca 0.66 0.31 -0.13 0.00 -1.10 0.00 0.00 60.65 60.39 3kir s ILE 69 Cb -0.90 -3.46 -0.06 0.00 -1.06 0.00 0.00 42.46 36.98 3kir s ILE 69 CO 0.57 0.58 0.44 -0.54 -0.10 0.00 0.00 174.94 175.89 3kir s LYS 70 N -0.77 3.88 -0.08 2.79 1.02 -1.26 -1.69 119.74 123.64 3kir s LYS 70 Ca 0.15 0.35 -0.00 0.00 0.02 0.00 0.00 55.97 56.49 3kir s LYS 70 Cb -0.13 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.08 3kir s LYS 70 CO 0.04 0.60 -0.04 1.03 -0.92 0.00 0.00 175.35 176.06 3kir s ARG 71 N -1.57 2.90 0.50 1.68 1.81 0.71 -4.98 118.95 119.99 3kir s ARG 71 Ca 0.30 -0.49 0.31 0.00 -1.72 0.00 0.00 55.73 54.13 3kir s ARG 71 Cb -0.15 -2.69 1.67 0.00 -0.45 0.00 0.00 34.95 33.33 3kir s ARG 71 CO 0.17 0.65 1.93 -1.00 -0.68 0.00 0.00 175.30 176.37 3kir h PRO 72 N 5.31 0.00 -0.00 3.54 0.13 -1.98 0.45 132.00 139.45 3kir h PRO 72 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3kir h PRO 72 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3kir h PRO 72 CO 0.54 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.91 3kir n ASP 73 N -2.63 0.03 0.00 1.44 5.68 -1.26 -4.88 116.55 114.94 3kir n ASP 73 Ca -0.02 -1.43 0.00 0.00 -0.50 0.00 0.00 54.79 52.84 3kir n ASP 73 Cb 0.12 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 3kir n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kir n GLY 74 N 0.79 0.92 4.00 6.12 0.00 0.16 -5.06 105.19 112.12 3kir n GLY 74 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 3kir n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kir s SER 75 N -2.82 4.53 0.04 1.61 1.04 -1.23 -4.83 113.70 112.04 3kir s SER 75 Ca 0.00 -0.49 -0.08 0.00 0.48 0.00 0.00 55.95 55.86 3kir s SER 75 Cb 0.00 0.07 -0.00 0.00 0.10 0.00 0.00 66.02 66.19 3kir s SER 75 CO 0.00 -1.73 0.15 0.00 0.98 0.00 0.00 173.24 172.64 3kir s ALA 76 N -3.02 -0.24 -0.01 5.32 0.00 -1.26 -0.21 121.76 122.34 3kir s ALA 76 Ca 0.65 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 52.29 3kir s ALA 76 Cb -0.05 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 3kir s ALA 76 CO 0.43 -0.33 -0.16 -1.50 0.00 0.00 0.00 175.76 174.20 3kir s ILE 77 N -2.49 1.27 -0.09 0.00 1.10 -0.68 -4.95 121.20 115.37 3kir s ILE 77 Ca -0.06 -0.71 -0.04 0.00 -0.51 0.00 0.00 60.65 59.33 3kir s ILE 77 Cb -0.02 -1.06 0.04 0.00 0.15 0.00 0.00 42.46 41.58 3kir s ILE 77 CO -0.04 0.35 0.20 -0.60 -2.11 0.00 0.00 174.94 172.74 3kir s ARG 78 N -0.41 0.15 0.24 3.50 3.52 -1.26 -0.79 118.95 123.89 3kir s ARG 78 Ca 0.06 0.48 0.08 0.00 -0.13 0.00 0.00 55.73 56.23 3kir s ARG 78 Cb -0.06 -0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.14 3kir s ARG 78 CO -0.01 -0.18 0.06 -0.06 -0.81 0.00 0.00 175.30 174.30 3kir s PHE 79 N 1.34 2.86 0.34 5.12 0.40 -1.07 -5.03 117.98 121.94 3kir s PHE 79 Ca -0.08 -0.17 0.22 0.00 -0.60 0.00 0.00 56.93 56.30 3kir s PHE 79 Cb -0.11 -1.30 1.10 0.00 0.51 0.00 0.00 43.02 43.23 3kir s PHE 79 CO -0.07 0.57 1.94 -0.44 0.70 0.00 0.00 175.22 177.92 3kir h ASP 80 N 1.95 0.00 -2.92 1.36 3.32 -1.92 -3.36 116.42 114.85 3kir h ASP 80 Ca -0.46 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.48 3kir h ASP 80 Cb 1.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 3kir h ASP 80 CO 0.60 0.22 -0.09 -0.90 -1.72 0.00 0.00 179.24 177.35 3kir n ASP 81 N -3.74 0.89 -3.98 6.45 5.68 -1.26 -4.89 116.55 115.70 3kir n ASP 81 Ca -0.01 -1.44 -0.31 0.00 -0.50 0.00 0.00 54.79 52.53 3kir n ASP 81 Cb 0.33 0.22 -0.14 0.00 -1.14 0.00 0.00 41.12 40.39 3kir n ASP 81 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 3kir s ASN 82 N -1.50 4.51 0.30 -1.12 -0.87 -1.24 -3.10 114.94 111.92 3kir s ASN 82 Ca 0.05 -2.68 -0.05 0.00 -1.57 0.00 0.00 52.86 48.60 3kir s ASN 82 Cb 0.00 -1.64 -0.05 0.00 -0.02 0.00 0.00 41.25 39.54 3kir s ASN 82 CO 0.03 -0.29 0.56 0.00 -2.57 0.00 0.00 177.10 174.83 3kir s ALA 83 N 0.17 3.61 0.09 0.60 0.00 0.11 -0.15 121.76 126.19 3kir s ALA 83 Ca 0.15 -0.56 -0.08 0.00 0.00 0.00 0.00 51.96 51.46 3kir s ALA 83 Cb -0.23 -2.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.58 3kir s ALA 83 CO -0.03 0.21 0.18 0.00 0.00 0.00 0.00 175.76 176.12 3kir s ALA 84 N -2.11 -0.15 -0.05 0.00 0.00 -0.31 -1.09 121.76 118.04 3kir s ALA 84 Ca 0.44 -0.68 0.04 0.00 0.00 0.00 0.00 51.96 51.76 3kir s ALA 84 Cb -0.11 0.49 -0.00 0.00 0.00 0.00 0.00 23.12 23.50 3kir s ALA 84 CO 0.30 -0.50 -0.18 0.08 0.00 0.00 0.00 175.76 175.46 3kir s VAL 85 N -3.87 1.50 0.35 0.00 1.01 -0.35 -1.03 120.40 118.01 3kir s VAL 85 Ca 0.06 -0.74 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 3kir s VAL 85 Cb 0.05 -1.30 -0.09 0.00 0.00 0.00 0.00 36.38 35.04 3kir s VAL 85 CO -0.10 0.43 1.12 -0.63 0.00 0.00 0.00 175.10 175.91 3kir s ILE 86 N 0.17 3.41 0.21 2.22 1.01 -1.26 -0.76 121.20 126.21 3kir s ILE 86 Ca -0.08 1.26 0.08 0.00 0.00 0.00 0.00 60.65 61.92 3kir s ILE 86 Cb -0.13 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 3kir s ILE 86 CO 0.03 0.18 -0.15 -0.63 0.00 0.00 0.00 174.94 174.37 3kir s ILE 87 N -1.36 1.85 0.50 2.92 -1.09 0.74 -2.68 121.20 122.09 3kir s ILE 87 Ca 0.52 -2.23 0.04 0.00 -2.23 0.00 0.00 60.65 56.76 3kir s ILE 87 Cb -0.29 -2.07 0.03 0.00 -1.58 0.00 0.00 42.46 38.55 3kir s ILE 87 CO 0.37 -0.55 0.70 0.54 -1.23 0.00 0.00 174.94 174.77 3kir s ASN 88 N -3.31 5.39 0.57 3.58 4.22 0.27 -4.18 114.94 121.49 3kir s ASN 88 Ca 0.23 -0.23 0.27 0.00 -2.14 0.00 0.00 52.86 50.99 3kir s ASN 88 Cb -0.02 -0.70 1.71 0.00 1.28 0.00 0.00 41.25 43.52 3kir s ASN 88 CO 0.08 -1.02 2.23 0.78 -2.04 0.00 0.00 177.10 177.13 3kir h ASN 89 N 0.29 0.00 0.37 3.54 4.21 -1.96 0.36 115.58 122.38 3kir h ASN 89 Ca -0.40 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.11 3kir h ASN 89 Cb 1.29 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 3kir h ASN 89 CO 0.48 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.63 3kir n GLN 90 N -3.98 0.54 -0.96 0.81 6.02 -1.26 -4.90 117.38 113.64 3kir n GLN 90 Ca -0.03 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3kir n GLN 90 Cb 0.09 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.85 3kir n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3kir n LEU 91 N -1.20 -0.14 -4.72 1.08 7.99 0.13 -5.08 117.00 115.05 3kir n LEU 91 Ca 0.16 0.00 -0.28 0.00 -0.01 0.00 0.00 56.01 55.87 3kir n LEU 91 Cb 0.18 -0.41 -0.07 0.00 -0.11 0.00 0.00 43.42 43.01 3kir n LEU 91 CO 0.20 0.00 -0.30 -1.61 -1.51 0.00 0.00 177.39 174.17 3kir s GLU 92 N -1.96 2.64 0.38 3.23 2.02 -1.26 -4.77 118.70 118.97 3kir s GLU 92 Ca 0.00 -0.90 -0.28 0.00 0.02 0.00 0.00 54.97 53.81 3kir s GLU 92 Cb 0.00 -2.54 -0.11 0.00 0.10 0.00 0.00 34.13 31.58 3kir s GLU 92 CO 0.00 0.51 1.47 -1.25 0.02 0.00 0.00 175.26 176.00 3kir s PRO 93 N -2.68 4.11 0.32 0.39 0.04 -1.26 -0.57 135.00 135.34 3kir s PRO 93 Ca 0.28 2.53 0.21 0.00 0.04 0.00 0.00 61.00 64.06 3kir s PRO 93 Cb -0.11 -2.96 0.16 0.00 0.04 0.00 0.00 34.50 31.64 3kir s PRO 93 CO 0.20 -0.52 1.35 0.00 0.04 0.00 0.00 177.00 178.08 3kir h ARG 94 N 2.99 0.00 -7.05 4.56 2.47 -1.81 -3.45 114.38 112.08 3kir h ARG 94 Ca -0.51 0.00 -0.46 0.00 -1.26 0.00 0.00 59.98 57.75 3kir h ARG 94 Cb 1.24 0.00 0.07 0.00 -1.65 0.00 0.00 29.97 29.63 3kir h ARG 94 CO 0.64 0.08 0.08 0.20 0.56 0.00 0.00 179.97 181.53 3kir s GLY 95 N -4.33 1.77 -0.01 0.04 0.00 -1.26 -4.85 107.32 98.68 3kir s GLY 95 Ca 0.04 -1.58 0.13 0.00 0.00 0.00 0.00 44.72 43.31 3kir s GLY 95 CO 0.73 -1.09 0.39 -1.30 0.00 0.00 0.00 173.10 171.82 3kir n THR 96 N -2.71 0.00 -4.03 0.90 -2.24 -1.26 -4.99 114.28 99.95 3kir n THR 96 Ca 0.13 -0.26 -0.01 0.00 -2.27 0.00 0.00 64.05 61.63 3kir n THR 96 Cb 0.60 0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 69.34 3kir n THR 96 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3kir n ARG 97 N -1.71 1.76 -3.18 -0.78 5.12 -1.26 -5.06 116.66 111.56 3kir n ARG 97 Ca -0.01 -0.15 0.05 0.00 -1.93 0.00 0.00 57.85 55.81 3kir n ARG 97 Cb 0.29 0.05 -0.02 0.00 -1.16 0.00 0.00 32.46 31.62 3kir n ARG 97 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kir s VAL 98 N -1.17 -0.38 0.51 1.55 0.11 -1.26 -4.30 120.40 115.45 3kir s VAL 98 Ca 0.00 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.99 3kir s VAL 98 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 3kir s VAL 98 CO 0.00 0.00 0.83 -0.36 -3.33 0.00 0.00 175.10 172.24 3kir s PHE 99 N 2.84 3.54 0.39 1.54 0.08 -1.02 -4.36 117.98 120.99 3kir s PHE 99 Ca 0.00 0.85 0.00 0.00 0.12 0.00 0.00 56.93 57.90 3kir s PHE 99 Cb -0.10 -2.40 0.00 0.00 -0.57 0.00 0.00 43.02 39.96 3kir s PHE 99 CO -0.13 -0.38 0.00 0.41 -0.10 0.00 0.00 175.22 175.02 3kir n GLY 100 N -2.35 -2.89 3.81 4.36 0.00 -1.26 -4.79 105.19 102.07 3kir n GLY 100 Ca 0.02 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 3kir n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kir s PRO 101 N -3.51 2.92 0.05 1.61 0.04 -1.26 -4.35 135.00 130.50 3kir s PRO 101 Ca 0.00 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.07 3kir s PRO 101 Cb 0.00 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 3kir s PRO 101 CO 0.00 -1.11 -0.10 0.14 0.04 0.00 0.00 177.00 175.97 3kir s VAL 102 N -2.98 0.74 0.18 -0.36 -7.23 -0.90 -4.88 120.40 104.97 3kir s VAL 102 Ca 0.59 -1.18 -0.30 0.00 -1.81 0.00 0.00 61.98 59.28 3kir s VAL 102 Cb -0.14 -0.79 -0.08 0.00 0.56 0.00 0.00 36.38 35.93 3kir s VAL 102 CO 0.53 -0.35 1.08 0.00 -0.31 0.00 0.00 175.10 176.06 3kir s ALA 103 N -1.41 3.36 -0.51 1.32 0.00 -1.23 -1.65 121.76 121.64 3kir s ALA 103 Ca -0.07 0.78 0.12 0.00 0.00 0.00 0.00 51.96 52.79 3kir s ALA 103 Cb -0.10 -3.34 0.63 0.00 0.00 0.00 0.00 23.12 20.32 3kir s ALA 103 CO 0.01 -0.17 1.34 2.89 0.00 0.00 0.00 175.76 179.83 3kir n ARG 104 N 2.31 0.08 -0.22 0.00 1.85 0.15 -1.04 116.66 119.78 3kir n ARG 104 Ca 0.02 0.56 0.29 0.00 -1.00 0.00 0.00 57.85 57.72 3kir n ARG 104 Cb 0.46 -1.78 0.70 0.00 -1.05 0.00 0.00 32.46 30.79 3kir n ARG 104 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3kir h GLU 105 N 0.00 0.06 -0.89 2.89 3.07 -1.90 0.50 114.58 118.30 3kir h GLU 105 Ca 0.00 -0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.95 3kir h GLU 105 Cb 0.06 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 27.89 3kir h GLU 105 CO 0.00 0.04 0.57 -0.07 -1.40 0.00 0.00 179.01 178.15 3kir h LEU 106 N 0.06 0.80 0.00 1.33 3.38 -1.40 -2.81 115.31 116.67 3kir h LEU 106 Ca 0.47 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.46 3kir h LEU 106 Cb 1.77 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.38 3kir h LEU 106 CO -0.04 0.47 0.00 -1.14 0.09 0.00 0.00 178.44 177.82 3kir n ARG 107 N -4.53 0.00 0.14 1.13 0.63 0.17 -2.25 116.66 111.96 3kir n ARG 107 Ca 0.15 0.48 0.17 0.00 -0.92 0.00 0.00 57.85 57.73 3kir n ARG 107 Cb 0.30 -1.46 0.55 0.00 0.45 0.00 0.00 32.46 32.30 3kir n ARG 107 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3kir h GLU 108 N 0.00 0.00 -0.00 -0.14 4.11 -1.64 1.91 114.58 118.82 3kir h GLU 108 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3kir h GLU 108 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kir h GLU 108 CO 0.00 0.00 -0.06 1.63 0.07 0.00 0.00 179.01 180.65 3kir n LYS 109 N -3.13 0.86 -2.30 1.06 4.76 -1.05 -4.95 118.16 113.41 3kir n LYS 109 Ca 0.07 -0.25 -0.01 0.00 -2.87 0.00 0.00 58.31 55.25 3kir n LYS 109 Cb 0.83 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.53 3kir n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kir n GLY 110 N 1.20 0.61 2.48 0.72 0.00 0.65 -5.01 105.19 105.85 3kir n GLY 110 Ca 0.17 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 3kir n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kir n PHE 111 N -1.85 3.41 -0.20 1.61 3.72 -0.95 -4.94 117.46 118.26 3kir n PHE 111 Ca -0.01 -3.12 -0.13 0.00 -0.05 0.00 0.00 57.45 54.14 3kir n PHE 111 Cb 0.51 -0.08 -0.10 0.00 -0.94 0.00 0.00 39.48 38.86 3kir n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3kir h MET 112 N 2.59 -0.31 -0.77 -1.08 2.86 -1.86 -0.33 114.93 116.04 3kir h MET 112 Ca 0.30 0.02 0.18 0.00 -2.06 0.00 0.00 59.70 58.13 3kir h MET 112 Cb 0.92 0.07 -0.12 0.00 0.06 0.00 0.00 31.60 32.53 3kir h MET 112 CO 0.85 -0.20 0.17 -0.22 1.06 0.00 0.00 176.91 178.56 3kir h LYS 113 N -0.32 0.23 -0.63 1.72 1.63 -2.00 0.31 116.57 117.52 3kir h LYS 113 Ca 0.09 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.83 3kir h LYS 113 Cb 0.56 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 3kir h LYS 113 CO -0.67 0.15 0.19 0.82 -3.45 0.00 0.00 179.45 176.49 3kir h ILE 114 N 0.24 1.25 0.50 2.00 5.03 -1.71 -1.94 117.51 122.88 3kir h ILE 114 Ca 0.44 -0.86 -0.02 0.00 -0.12 0.00 0.00 64.86 64.30 3kir h ILE 114 Cb 0.79 0.61 0.00 0.00 -3.03 0.00 0.00 36.82 35.20 3kir h ILE 114 CO -0.56 0.33 -0.24 0.58 -0.68 0.00 0.00 178.15 177.58 3kir h VAL 115 N 0.92 0.43 -0.54 1.67 2.07 0.12 -2.45 116.25 118.47 3kir h VAL 115 Ca 0.20 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.41 3kir h VAL 115 Cb 0.31 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3kir h VAL 115 CO -0.00 0.05 0.36 0.77 0.02 0.00 0.00 177.57 178.76 3kir h SER 116 N -0.90 0.52 0.76 0.57 4.64 -1.00 -2.49 113.55 115.65 3kir h SER 116 Ca -0.07 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.18 3kir h SER 116 Cb 0.60 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 3kir h SER 116 CO 0.11 0.36 -0.32 -0.07 -0.87 0.00 0.00 176.83 176.04 3kir h LEU 117 N 0.60 0.00-10.00 5.97 3.38 -1.29 -3.45 115.31 110.53 3kir h LEU 117 Ca 0.22 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.71 3kir h LEU 117 Cb 0.12 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.89 3kir h LEU 117 CO -0.06 0.32 0.40 0.00 0.09 0.00 0.00 178.44 179.20 3kir s ALA 118 N -3.73 3.02 0.12 1.53 0.00 -0.93 -4.50 121.76 117.26 3kir s ALA 118 Ca -0.00 0.67 -0.17 0.00 0.00 0.00 0.00 51.96 52.45 3kir s ALA 118 Cb 0.11 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 3kir s ALA 118 CO 0.67 -0.23 1.62 -1.00 0.00 0.00 0.00 175.76 176.82 3kir h PRO 119 N 2.22 0.53 -5.38 0.00 0.13 -1.76 -3.45 132.00 124.29 3kir h PRO 119 Ca -0.49 -0.12 -0.41 0.00 -0.87 0.00 0.00 66.00 64.12 3kir h PRO 119 Cb 1.22 -0.07 -0.18 0.00 0.13 0.00 0.00 31.00 32.09 3kir h PRO 119 CO 0.61 0.57 -0.75 -2.00 -0.23 0.00 0.00 178.00 176.20 3kir s GLU 120 N -5.36 1.03 -0.17 0.86 2.12 -1.26 -5.07 118.70 110.84 3kir s GLU 120 Ca -0.13 -1.26 -0.05 0.00 0.36 0.00 0.00 54.97 53.89 3kir s GLU 120 Cb 0.09 -0.87 0.06 0.00 0.26 0.00 0.00 34.13 33.67 3kir s GLU 120 CO 0.75 0.16 0.08 0.08 -0.54 0.00 0.00 175.26 175.79 3kir s VAL 121 N -2.26 -0.02 -1.35 3.70 1.01 -1.26 -2.11 120.40 118.11 3kir s VAL 121 Ca 0.10 -0.22 0.11 0.00 0.00 0.00 0.00 61.98 61.97 3kir s VAL 121 Cb -0.04 -0.63 0.09 0.00 0.00 0.00 0.00 36.38 35.79 3kir s VAL 121 CO 0.03 -0.28 0.84 0.18 0.00 0.00 0.00 175.10 175.87