#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckn s ILE 12 N 0.00 5.24 -0.30 1.53 1.09 -1.26 -5.02 121.20 122.48 1ckn s ILE 12 Ca 0.00 0.51 -0.29 0.00 -1.10 0.00 0.00 60.65 59.77 1ckn s ILE 12 Cb 0.00 -3.65 -0.01 0.00 -1.06 0.00 0.00 42.46 37.74 1ckn s ILE 12 CO 0.00 0.25 1.47 0.42 -0.10 0.00 0.00 174.94 176.98 1ckn s THR 13 N 1.48 3.89 0.36 2.92 -4.23 -1.26 -4.97 115.64 113.82 1ckn s THR 13 Ca 0.14 0.98 0.08 0.00 -1.18 0.00 0.00 61.69 61.71 1ckn s THR 13 Cb -0.15 -3.97 -0.03 0.00 1.34 0.00 0.00 72.50 69.69 1ckn s THR 13 CO 0.08 -0.46 0.27 0.42 -0.54 0.00 0.00 174.62 174.39 1ckn s THR 14 N 5.04 3.16 -0.12 3.99 -4.23 -1.26 -0.72 115.64 121.49 1ckn s THR 14 Ca 0.64 -1.45 -0.11 0.00 -1.18 0.00 0.00 61.69 59.60 1ckn s THR 14 Cb -0.19 -3.09 0.03 0.00 1.34 0.00 0.00 72.50 70.59 1ckn s THR 14 CO 0.28 -0.13 0.32 -0.70 -0.54 0.00 0.00 174.62 173.85 1ckn s GLU 15 N -3.99 0.36 0.28 3.99 2.12 0.47 -4.86 118.70 117.08 1ckn s GLU 15 Ca 0.42 0.47 -0.06 0.00 0.36 0.00 0.00 54.97 56.16 1ckn s GLU 15 Cb -0.04 0.14 -0.06 0.00 0.26 0.00 0.00 34.13 34.44 1ckn s GLU 15 CO 0.26 -0.06 0.56 -0.98 -0.54 0.00 0.00 175.26 174.50 1ckn s ARG 16 N 0.34 3.67 0.07 4.30 1.70 -1.26 0.24 118.95 128.01 1ckn s ARG 16 Ca -0.01 0.09 -0.26 0.00 -0.47 0.00 0.00 55.73 55.07 1ckn s ARG 16 Cb -0.03 -2.63 0.08 0.00 -0.57 0.00 0.00 34.95 31.80 1ckn s ARG 16 CO -0.01 0.22 0.72 0.00 -1.08 0.00 0.00 175.30 175.15 1ckn s ALA 17 N -2.04 -1.71 -0.03 7.88 0.00 -0.14 -4.78 121.76 120.94 1ckn s ALA 17 Ca 0.45 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1ckn s ALA 17 Cb -0.11 0.58 0.03 0.00 0.00 0.00 0.00 23.12 23.62 1ckn s ALA 17 CO 0.28 -0.69 0.01 0.08 0.00 0.00 0.00 175.76 175.45 1ckn s VAL 18 N -3.19 0.13 -0.04 0.00 1.01 -1.25 0.11 120.40 117.17 1ckn s VAL 18 Ca 0.01 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1ckn s VAL 18 Cb -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 1ckn s VAL 18 CO -0.09 0.14 -0.10 -0.76 0.00 0.00 0.00 175.10 174.30 1ckn s LEU 19 N 1.15 3.01 -0.16 3.92 1.43 0.23 -4.89 118.68 123.37 1ckn s LEU 19 Ca -0.08 -0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1ckn s LEU 19 Cb -0.13 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.41 1ckn s LEU 19 CO -0.02 0.33 -0.14 -0.89 0.23 0.00 0.00 176.35 175.86 1ckn s THR 20 N -0.84 2.78 -0.09 5.49 2.01 -1.26 0.67 115.64 124.41 1ckn s THR 20 Ca 0.13 -0.73 -0.03 0.00 0.31 0.00 0.00 61.69 61.37 1ckn s THR 20 Cb -0.11 -2.19 0.05 0.00 0.01 0.00 0.00 72.50 70.26 1ckn s THR 20 CO 0.03 0.51 0.17 -0.76 -0.69 0.00 0.00 174.62 173.88 1ckn s LEU 21 N 0.86 0.14 -1.36 4.42 1.43 0.13 -4.89 118.68 119.41 1ckn s LEU 21 Ca -0.04 0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.39 1ckn s LEU 21 Cb -0.15 0.37 0.00 0.00 0.03 0.00 0.00 46.19 46.44 1ckn s LEU 21 CO -0.00 -0.21 0.49 0.59 0.23 0.00 0.00 176.35 177.44 1ckn n ASN 22 N 4.97 -5.49 0.00 2.29 3.02 -1.26 -1.66 115.26 117.12 1ckn n ASN 22 Ca -0.12 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 1ckn n ASN 22 Cb 0.50 -4.34 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 1ckn n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ckn n GLY 23 N -1.39 0.95 3.41 7.41 0.00 -1.26 -5.04 105.19 109.26 1ckn n GLY 23 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 1ckn n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ckn s LEU 24 N 0.00 2.52 0.02 0.99 1.02 -0.67 -5.15 118.68 117.42 1ckn s LEU 24 Ca 0.00 -0.96 0.02 0.00 0.02 0.00 0.00 54.13 53.21 1ckn s LEU 24 Cb 0.00 -0.97 -0.02 0.00 0.02 0.00 0.00 46.19 45.22 1ckn s LEU 24 CO 0.00 -0.00 -0.07 -1.10 0.02 0.00 0.00 176.35 175.20 1ckn s GLN 25 N -3.23 0.49 -0.05 1.70 -0.21 -1.26 0.22 119.66 117.32 1ckn s GLN 25 Ca 0.24 -0.51 0.05 0.00 0.02 0.00 0.00 55.36 55.15 1ckn s GLN 25 Cb -0.05 -0.36 -0.00 0.00 1.00 0.00 0.00 33.01 33.60 1ckn s GLN 25 CO 0.11 0.08 -0.19 0.96 -2.12 0.00 0.00 175.29 174.12 1ckn s ILE 26 N -0.83 1.62 -0.25 1.08 -4.36 0.21 -4.92 121.20 113.75 1ckn s ILE 26 Ca -0.05 -0.81 -0.17 0.00 -0.26 0.00 0.00 60.65 59.36 1ckn s ILE 26 Cb -0.07 -1.39 -0.03 0.00 1.25 0.00 0.00 42.46 42.22 1ckn s ILE 26 CO 0.00 0.46 0.48 -0.54 0.24 0.00 0.00 174.94 175.58 1ckn s LYS 27 N 0.06 4.08 0.18 0.37 1.02 -1.26 0.77 119.74 124.96 1ckn s LYS 27 Ca -0.06 0.27 0.08 0.00 0.02 0.00 0.00 55.97 56.28 1ckn s LYS 27 Cb -0.13 -3.63 -0.04 0.00 -0.52 0.00 0.00 37.83 33.50 1ckn s LYS 27 CO 0.03 -0.29 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.49 1ckn s LEU 28 N 2.12 2.48 -0.35 3.17 1.43 0.29 -4.96 118.68 122.86 1ckn s LEU 28 Ca 0.20 -0.91 -0.21 0.00 -1.03 0.00 0.00 54.13 52.18 1ckn s LEU 28 Cb -0.16 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.29 1ckn s LEU 28 CO 0.09 -0.08 0.66 -1.00 0.23 0.00 0.00 176.35 176.26 1ckn s HIS 29 N -2.33 3.16 0.02 0.29 3.76 -1.26 -0.96 115.29 117.96 1ckn s HIS 29 Ca 0.18 0.44 -0.30 0.00 -0.15 0.00 0.00 55.06 55.22 1ckn s HIS 29 Cb -0.04 -3.16 -0.03 0.00 1.11 0.00 0.00 32.58 30.46 1ckn s HIS 29 CO 0.07 -0.61 0.98 0.21 -0.85 0.00 0.00 174.74 174.54 1ckn s LYS 30 N 2.76 4.58 0.05 1.40 2.20 0.65 -1.09 119.74 130.30 1ckn s LYS 30 Ca 0.26 1.44 -0.23 0.00 -0.36 0.00 0.00 55.97 57.08 1ckn s LYS 30 Cb -0.14 -3.44 -0.06 0.00 -1.51 0.00 0.00 37.83 32.67 1ckn s LYS 30 CO 0.14 -0.02 0.68 0.08 -0.36 0.00 0.00 175.35 175.87 1ckn s VAL 31 N 0.86 4.73 0.20 4.02 1.01 0.06 -0.39 120.40 130.89 1ckn s VAL 31 Ca 0.51 1.44 0.08 0.00 0.00 0.00 0.00 61.98 64.02 1ckn s VAL 31 Cb -0.22 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 1ckn s VAL 31 CO 0.28 0.44 -0.16 -0.69 0.00 0.00 0.00 175.10 174.98 1ckn s VAL 32 N -0.47 1.78 0.00 2.92 1.01 0.10 -4.50 120.40 121.24 1ckn s VAL 32 Ca 0.34 -2.14 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1ckn s VAL 32 Cb -0.20 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1ckn s VAL 32 CO 0.21 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 175.40 1ckn n GLY 33 N -0.21 1.74 0.38 4.51 0.00 -1.26 -2.54 105.19 107.80 1ckn n GLY 33 Ca -0.09 -0.53 0.14 0.00 0.00 0.00 0.00 46.02 45.54 1ckn n GLY 33 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ckn h GLU 34 N 0.00 0.52 -0.95 1.61 5.08 -1.98 0.23 114.58 119.09 1ckn h GLU 34 Ca 0.00 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1ckn h GLU 34 Cb 0.00 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.07 1ckn h GLU 34 CO 0.00 0.34 0.61 0.77 -1.00 0.00 0.00 179.01 179.73 1ckn h SER 35 N 0.53 0.98 0.15 1.42 0.02 -1.83 0.25 113.55 115.07 1ckn h SER 35 Ca 0.41 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.36 1ckn h SER 35 Cb 0.83 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1ckn h SER 35 CO -0.16 0.63 -0.07 -0.09 -1.14 0.00 0.00 176.83 176.00 1ckn h ARG 36 N 1.12 -0.20 -0.92 3.45 2.43 -0.37 -2.34 114.38 117.55 1ckn h ARG 36 Ca 0.41 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.75 1ckn h ARG 36 Cb 0.14 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.66 1ckn h ARG 36 CO -0.16 0.11 0.59 -0.44 -1.51 0.00 0.00 179.97 178.56 1ckn h ASP 37 N -0.52 0.64 -0.11 -3.80 5.19 -0.92 -1.10 116.42 115.80 1ckn h ASP 37 Ca -0.02 0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.39 1ckn h ASP 37 Cb 0.40 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.84 1ckn h ASP 37 CO 0.03 0.29 -0.11 0.44 -3.12 0.00 0.00 179.24 176.78 1ckn h ASP 38 N 0.66 0.28 -0.57 6.45 3.32 -0.19 -2.47 116.42 123.91 1ckn h ASP 38 Ca 0.48 -0.49 0.07 0.00 0.02 0.00 0.00 57.03 57.11 1ckn h ASP 38 Cb 0.84 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.25 1ckn h ASP 38 CO -0.23 0.71 0.24 0.40 -1.72 0.00 0.00 179.24 178.64 1ckn h ILE 39 N -0.14 0.85 -0.10 0.35 2.04 -0.85 0.16 117.51 119.81 1ckn h ILE 39 Ca 0.02 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.74 1ckn h ILE 39 Cb 0.63 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1ckn h ILE 39 CO 0.03 0.08 -0.00 0.58 0.00 0.00 0.00 178.15 178.84 1ckn h VAL 40 N 0.45 0.93 -0.40 1.67 2.07 -1.30 0.26 116.25 119.93 1ckn h VAL 40 Ca 0.27 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.76 1ckn h VAL 40 Cb 0.27 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1ckn h VAL 40 CO -0.24 0.01 0.17 0.00 0.02 0.00 0.00 177.57 177.53 1ckn h ALA 41 N 1.09 1.56 -0.36 1.67 0.00 -0.85 0.26 119.26 122.63 1ckn h ALA 41 Ca 0.05 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1ckn h ALA 41 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ckn h ALA 41 CO -0.08 0.35 -0.09 0.87 0.00 0.00 0.00 179.25 180.30 1ckn h LYS 42 N 0.56 0.69 -0.32 0.00 1.57 -0.07 -1.32 116.57 117.67 1ckn h LYS 42 Ca 0.14 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1ckn h LYS 42 Cb 0.10 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1ckn h LYS 42 CO -0.02 0.85 0.12 1.98 -0.57 0.00 0.00 179.45 181.81 1ckn h MET 43 N 0.48 0.49 -0.72 3.15 4.05 0.27 -0.04 114.93 122.60 1ckn h MET 43 Ca 0.09 -0.10 0.07 0.00 -0.28 0.00 0.00 59.70 59.48 1ckn h MET 43 Cb 0.60 -0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 31.26 1ckn h MET 43 CO 0.04 0.51 0.41 -0.22 0.23 0.00 0.00 176.91 177.87 1ckn h LYS 44 N 0.37 0.72 0.55 0.39 3.64 -0.40 0.11 116.57 121.95 1ckn h LYS 44 Ca 0.11 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1ckn h LYS 44 Cb 0.21 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1ckn h LYS 44 CO -0.01 0.48 -0.27 -0.44 -2.27 0.00 0.00 179.45 176.94 1ckn h ASP 45 N 0.74 -0.63 -0.89 4.20 5.19 -1.10 0.27 116.42 124.21 1ckn h ASP 45 Ca 0.33 0.02 0.19 0.00 -0.62 0.00 0.00 57.03 56.95 1ckn h ASP 45 Cb 0.22 0.16 -0.11 0.00 0.18 0.00 0.00 39.33 39.78 1ckn h ASP 45 CO -0.19 -0.40 0.43 0.25 -3.12 0.00 0.00 179.24 176.21 1ckn h LEU 46 N -0.83 0.45 -0.43 1.55 6.46 -0.71 1.15 115.31 122.95 1ckn h LEU 46 Ca -0.08 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1ckn h LEU 46 Cb 0.57 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 1ckn h LEU 46 CO 0.12 0.11 0.00 0.00 -0.62 0.00 0.00 178.44 178.05 1ckn n ALA 47 N -2.45 2.59 -4.04 1.25 0.00 0.00 -4.90 120.51 112.97 1ckn n ALA 47 Ca 0.21 -0.28 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 1ckn n ALA 47 Cb 0.57 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1ckn n ALA 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ckn n MET 48 N -0.38 -4.44 -3.59 0.00 2.81 0.40 -4.91 117.12 107.01 1ckn n MET 48 Ca 0.16 0.50 -0.38 0.00 -1.81 0.00 0.00 57.70 56.17 1ckn n MET 48 Cb 0.17 -5.27 -0.11 0.00 -0.71 0.00 0.00 33.22 27.31 1ckn n MET 48 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1ckn s ASP 49 N -3.40 6.05 -0.25 7.83 2.15 0.02 -4.90 116.67 124.17 1ckn s ASP 49 Ca 0.63 0.03 0.11 0.00 0.43 0.00 0.00 52.55 53.75 1ckn s ASP 49 Cb -0.33 -2.12 0.46 0.00 -0.30 0.00 0.00 42.92 40.63 1ckn s ASP 49 CO 0.87 -0.03 1.36 -0.90 -0.17 0.00 0.00 175.17 176.30 1ckn n ASP 50 N 4.93 2.29 -4.70 -0.34 5.75 -1.26 -4.73 116.55 118.49 1ckn n ASP 50 Ca -0.14 -3.73 -0.42 0.00 -0.01 0.00 0.00 54.79 50.49 1ckn n ASP 50 Cb 0.52 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 40.00 1ckn n ASP 50 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1ckn s HIS 51 N -3.20 3.17 -1.90 2.11 2.46 -1.26 -4.90 115.29 111.78 1ckn s HIS 51 Ca 0.41 1.02 0.07 0.00 0.47 0.00 0.00 55.06 57.03 1ckn s HIS 51 Cb 0.38 -3.59 0.41 0.00 -0.13 0.00 0.00 32.58 29.65 1ckn s HIS 51 CO -0.02 -2.05 0.92 1.63 -2.47 0.00 0.00 174.74 172.75 1ckn n LYS 52 N 4.46 0.20 -4.72 2.88 4.76 -1.26 -4.62 118.16 119.86 1ckn n LYS 52 Ca 0.11 0.04 -0.24 0.00 -2.87 0.00 0.00 58.31 55.35 1ckn n LYS 52 Cb 0.44 -1.50 -0.16 0.00 -1.84 0.00 0.00 35.03 31.97 1ckn n LYS 52 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1ckn s PHE 53 N -2.10 1.47 0.27 2.13 2.19 -1.26 -5.09 117.98 115.59 1ckn s PHE 53 Ca 0.10 -0.36 -0.30 0.00 0.33 0.00 0.00 56.93 56.70 1ckn s PHE 53 Cb 0.05 -0.98 -0.10 0.00 -1.31 0.00 0.00 43.02 40.67 1ckn s PHE 53 CO 0.09 -0.10 1.43 -2.14 1.83 0.00 0.00 175.22 176.33 1ckn s PRO 54 N -0.08 4.26 -0.12 10.12 0.02 -1.26 -5.00 135.00 142.94 1ckn s PRO 54 Ca -0.00 2.32 -0.30 0.00 0.02 0.00 0.00 61.00 63.04 1ckn s PRO 54 Cb -0.09 -3.09 0.09 0.00 0.02 0.00 0.00 34.50 31.42 1ckn s PRO 54 CO 0.01 -0.41 0.78 -0.98 -0.33 0.00 0.00 177.00 176.07 1ckn s ARG 55 N -0.62 0.88 0.37 5.54 1.70 -1.26 -4.98 118.95 120.59 1ckn s ARG 55 Ca 0.58 0.35 -0.27 0.00 -0.47 0.00 0.00 55.73 55.91 1ckn s ARG 55 Cb -0.42 0.42 -0.11 0.00 -0.57 0.00 0.00 34.95 34.27 1ckn s ARG 55 CO 0.45 -0.25 1.36 1.28 -1.08 0.00 0.00 175.30 177.06 1ckn n LEU 56 N 1.17 4.11 -3.74 -1.89 4.77 -1.26 -4.93 117.00 115.23 1ckn n LEU 56 Ca -0.16 1.19 -0.42 0.00 -0.03 0.00 0.00 56.01 56.59 1ckn n LEU 56 Cb 0.57 -1.54 -0.01 0.00 -2.33 0.00 0.00 43.42 40.11 1ckn n LEU 56 CO 0.18 -0.29 2.59 -0.81 -1.33 0.00 0.00 177.39 177.73 1ckn n PRO 57 N 0.38 2.67 -3.65 3.23 -0.04 -1.26 -4.41 135.00 131.93 1ckn n PRO 57 Ca 0.04 -2.52 -0.05 0.00 -0.04 0.00 0.00 63.50 60.94 1ckn n PRO 57 Cb 0.38 -3.25 -0.02 0.00 -0.04 0.00 0.00 33.50 30.58 1ckn n PRO 57 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ckn s GLY 58 N 3.48 -0.33 0.26 0.55 0.00 -1.26 -4.84 107.32 105.18 1ckn s GLY 58 Ca 0.49 0.53 -0.15 0.00 0.00 0.00 0.00 44.72 45.59 1ckn s GLY 58 CO -0.06 0.15 0.67 2.56 0.00 0.00 0.00 173.10 176.42 1ckn s PRO 59 N -3.13 4.00 -0.22 2.90 0.04 -0.48 0.63 135.00 138.75 1ckn s PRO 59 Ca 0.10 0.60 -0.05 0.00 0.04 0.00 0.00 61.00 61.69 1ckn s PRO 59 Cb -0.01 -2.62 -0.02 0.00 0.04 0.00 0.00 34.50 31.90 1ckn s PRO 59 CO -0.02 0.27 -0.01 -0.80 0.04 0.00 0.00 177.00 176.47 1ckn s ASN 60 N -2.11 4.58 0.95 6.66 0.02 0.30 -4.81 114.94 120.52 1ckn s ASN 60 Ca 0.49 -0.30 -0.11 0.00 -1.02 0.00 0.00 52.86 51.92 1ckn s ASN 60 Cb -0.12 -1.79 0.16 0.00 0.02 0.00 0.00 41.25 39.52 1ckn s ASN 60 CO 0.19 0.01 1.10 -2.16 0.02 0.00 0.00 177.10 176.26 1ckn s PRO 61 N 1.32 0.79 0.17 -0.60 0.04 -1.26 -0.46 135.00 134.99 1ckn s PRO 61 Ca 0.04 1.21 0.11 0.00 0.04 0.00 0.00 61.00 62.40 1ckn s PRO 61 Cb -0.14 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1ckn s PRO 61 CO -0.00 -2.67 -0.24 0.54 0.04 0.00 0.00 177.00 174.66 1ckn s VAL 62 N -2.69 2.38 0.27 -0.36 0.11 0.15 -4.80 120.40 115.46 1ckn s VAL 62 Ca 0.66 -1.89 -0.29 0.00 -2.93 0.00 0.00 61.98 57.53 1ckn s VAL 62 Cb -0.22 -2.11 -0.09 0.00 -1.53 0.00 0.00 36.38 32.43 1ckn s VAL 62 CO 0.59 -0.03 0.97 -0.44 -3.33 0.00 0.00 175.10 172.86 1ckn s SER 63 N -2.43 7.48 0.46 3.54 0.01 -1.26 0.35 113.70 121.84 1ckn s SER 63 Ca 0.18 1.98 -0.24 0.00 1.31 0.00 0.00 55.95 59.18 1ckn s SER 63 Cb -0.09 -2.61 -0.07 0.00 0.21 0.00 0.00 66.02 63.46 1ckn s SER 63 CO 0.09 0.03 1.37 -0.51 0.41 0.00 0.00 173.24 174.62 1ckn s ILE 64 N -1.29 2.26 0.37 1.44 2.07 -0.91 -4.81 121.20 120.33 1ckn s ILE 64 Ca 0.44 0.22 0.06 0.00 -1.41 0.00 0.00 60.65 59.97 1ckn s ILE 64 Cb -0.25 -3.12 -0.07 0.00 0.13 0.00 0.00 42.46 39.14 1ckn s ILE 64 CO 0.32 0.02 0.01 -1.61 -1.91 0.00 0.00 174.94 171.76 1ckn s GLU 65 N -2.53 1.83 0.34 3.50 2.02 -1.26 -4.99 118.70 117.60 1ckn s GLU 65 Ca 0.63 -2.01 0.04 0.00 0.02 0.00 0.00 54.97 53.65 1ckn s GLU 65 Cb -0.41 -1.40 0.60 0.00 0.10 0.00 0.00 34.13 33.03 1ckn s GLU 65 CO 0.51 -0.06 1.87 0.00 0.02 0.00 0.00 175.26 177.61 1ckn h ARG 66 N 1.93 0.53 -0.16 1.61 3.08 -1.96 -2.44 114.38 116.97 1ckn h ARG 66 Ca -0.43 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 59.56 1ckn h ARG 66 Cb 1.24 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 1ckn h ARG 66 CO 0.76 0.56 0.21 1.57 -1.07 0.00 0.00 179.97 181.99 1ckn h LYS 67 N 0.51 0.00 -0.00 0.04 2.10 -2.02 -1.64 116.57 115.56 1ckn h LYS 67 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1ckn h LYS 67 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1ckn h LYS 67 CO 0.01 0.00 -0.27 -0.25 -2.00 0.00 0.00 179.45 176.94 1ckn n ASP 68 N -3.64 0.74 -0.09 7.07 8.00 -0.92 -3.95 116.55 123.76 1ckn n ASP 68 Ca 0.01 -0.62 -0.01 0.00 0.71 0.00 0.00 54.79 54.88 1ckn n ASP 68 Cb 0.32 0.09 0.25 0.00 -0.02 0.00 0.00 41.12 41.75 1ckn n ASP 68 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1ckn h PHE 69 N 0.74 0.75 0.37 1.24 -1.00 -1.42 -2.14 116.94 115.48 1ckn h PHE 69 Ca 0.00 -0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.72 1ckn h PHE 69 Cb 0.47 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.78 1ckn h PHE 69 CO 0.00 0.62 -0.46 1.49 -1.61 0.00 0.00 178.31 178.35 1ckn h GLU 70 N 0.72 -0.83 -0.87 1.51 4.81 -1.79 -2.60 114.58 115.53 1ckn h GLU 70 Ca 0.16 0.06 0.19 0.00 -0.13 0.00 0.00 59.36 59.64 1ckn h GLU 70 Cb 0.23 0.19 -0.11 0.00 0.63 0.00 0.00 28.75 29.69 1ckn h GLU 70 CO -0.01 -0.55 0.40 -0.22 -0.73 0.00 0.00 179.01 177.90 1ckn h LYS 71 N -0.86 0.45 0.00 1.92 3.64 -1.63 0.57 116.57 120.66 1ckn h LYS 71 Ca -0.03 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1ckn h LYS 71 Cb 0.78 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1ckn h LYS 71 CO -0.11 0.30 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.03 1ckn h LEU 72 N 0.46 0.00 -0.06 5.20 3.38 -1.30 -0.88 115.31 122.11 1ckn h LEU 72 Ca 0.52 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.29 1ckn h LEU 72 Cb 0.91 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1ckn h LEU 72 CO -0.47 0.27 -0.95 0.11 0.09 0.00 0.00 178.44 177.48 1ckn h LYS 73 N 0.00 0.00 0.09 1.13 1.57 0.53 -3.27 116.57 116.62 1ckn h LYS 73 Ca -0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.50 1ckn h LYS 73 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1ckn h LYS 73 CO 0.03 0.95 -1.34 1.96 -0.57 0.00 0.00 179.45 180.49 1ckn h GLN 74 N 0.00 0.19 -6.09 3.15 4.20 -0.92 -3.48 115.11 112.15 1ckn h GLN 74 Ca -0.01 -0.32 -0.54 0.00 0.06 0.00 0.00 58.65 57.84 1ckn h GLN 74 Cb 1.70 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 29.56 1ckn h GLN 74 CO 0.12 1.08 -0.32 -0.80 -0.67 0.00 0.00 178.83 178.24 1ckn s ASN 75 N -6.91 4.81 -0.05 1.46 0.01 -0.37 -5.10 114.94 108.78 1ckn s ASN 75 Ca -0.05 -1.02 -0.16 0.00 -0.71 0.00 0.00 52.86 50.92 1ckn s ASN 75 Cb 0.08 0.00 -0.05 0.00 0.41 0.00 0.00 41.25 41.69 1ckn s ASN 75 CO 0.85 -0.93 0.41 -0.54 -1.51 0.00 0.00 177.10 175.38 1ckn s LYS 76 N -4.24 4.07 -0.02 -0.60 1.02 -1.26 -4.87 119.74 113.84 1ckn s LYS 76 Ca 0.42 0.39 -0.11 0.00 0.02 0.00 0.00 55.97 56.69 1ckn s LYS 76 Cb -0.02 -3.30 0.01 0.00 -0.52 0.00 0.00 37.83 34.00 1ckn s LYS 76 CO 0.25 0.50 0.23 0.71 -0.92 0.00 0.00 175.35 176.13 1ckn s TYR 77 N -0.47 -0.10 0.18 3.18 1.51 -1.26 -2.44 117.35 117.95 1ckn s TYR 77 Ca 0.23 0.14 0.06 0.00 -1.01 0.00 0.00 57.07 56.50 1ckn s TYR 77 Cb -0.16 0.03 -0.04 0.00 -0.11 0.00 0.00 41.96 41.69 1ckn s TYR 77 CO 0.12 -0.32 0.11 0.14 -1.11 0.00 0.00 175.55 174.49 1ckn s VAL 78 N -1.18 4.28 0.02 0.71 -7.23 0.20 -0.61 120.40 116.59 1ckn s VAL 78 Ca -0.12 -1.23 0.04 0.00 -1.81 0.00 0.00 61.98 58.86 1ckn s VAL 78 Cb -0.06 -3.20 -0.02 0.00 0.56 0.00 0.00 36.38 33.66 1ckn s VAL 78 CO 0.03 -0.15 -0.14 0.54 -0.31 0.00 0.00 175.10 175.07 1ckn s VAL 79 N -1.82 1.07 0.09 1.32 0.11 0.27 -0.10 120.40 121.34 1ckn s VAL 79 Ca 0.30 -0.82 -0.07 0.00 -2.93 0.00 0.00 61.98 58.46 1ckn s VAL 79 Cb -0.09 -0.94 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 1ckn s VAL 79 CO 0.22 0.11 0.16 -0.55 -3.33 0.00 0.00 175.10 171.71 1ckn s SER 80 N -0.81 0.18 0.48 3.54 0.15 0.63 -2.37 113.70 115.50 1ckn s SER 80 Ca 0.03 -0.73 -0.24 0.00 0.70 0.00 0.00 55.95 55.70 1ckn s SER 80 Cb -0.07 0.32 -0.08 0.00 -1.71 0.00 0.00 66.02 64.49 1ckn s SER 80 CO 0.01 -0.72 1.33 -1.84 1.20 0.00 0.00 173.24 173.22 1ckn n GLU 81 N -0.04 1.90 -3.13 5.44 0.00 -1.26 0.15 120.64 123.70 1ckn n GLU 81 Ca -0.14 0.68 -0.45 0.00 0.00 0.00 0.00 57.16 57.25 1ckn n GLU 81 Cb 0.62 -2.50 -0.04 0.00 0.00 0.00 0.00 31.44 29.52 1ckn n GLU 81 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1ckn s LYS 82 N -2.51 3.11 0.29 3.44 2.20 0.38 -4.44 119.74 122.22 1ckn s LYS 82 Ca 0.65 -1.47 -0.30 0.00 -0.36 0.00 0.00 55.97 54.49 1ckn s LYS 82 Cb -0.46 -4.32 -0.12 0.00 -1.51 0.00 0.00 37.83 31.42 1ckn s LYS 82 CO 0.55 -1.52 1.58 2.41 -0.36 0.00 0.00 175.35 178.00 1ckn n THR 83 N 5.40 1.08 -3.57 3.43 -1.04 -1.26 0.83 114.28 119.15 1ckn n THR 83 Ca -0.06 -0.27 -0.41 0.00 -2.04 0.00 0.00 64.05 61.27 1ckn n THR 83 Cb 0.43 -1.93 -0.11 0.00 -1.82 0.00 0.00 70.33 66.90 1ckn n THR 83 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ckn s ASP 84 N 0.44 5.80 0.00 8.00 -1.08 0.45 -4.73 116.67 125.56 1ckn s ASP 84 Ca 0.64 -0.93 0.00 0.00 -0.52 0.00 0.00 52.55 51.74 1ckn s ASP 84 Cb -0.51 -2.05 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 1ckn s ASP 84 CO 0.50 -0.38 0.00 0.61 0.52 0.00 0.00 175.17 176.41 1ckn n GLY 85 N 5.03 2.20 3.25 2.66 0.00 -1.26 -4.65 105.19 112.42 1ckn n GLY 85 Ca -0.12 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 1ckn n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ckn s ILE 86 N -0.28 2.10 0.08 -0.61 1.01 -0.09 -4.95 121.20 118.47 1ckn s ILE 86 Ca 0.00 -1.03 -0.31 0.00 0.00 0.00 0.00 60.65 59.32 1ckn s ILE 86 Cb 0.00 -1.78 -0.09 0.00 0.01 0.00 0.00 42.46 40.60 1ckn s ILE 86 CO 0.00 0.56 1.68 -0.60 0.00 0.00 0.00 174.94 176.59 1ckn s ARG 87 N 0.09 4.19 -0.00 2.79 6.06 -1.26 -0.03 118.95 130.78 1ckn s ARG 87 Ca -0.11 2.38 0.02 0.00 -2.50 0.00 0.00 55.73 55.52 1ckn s ARG 87 Cb -0.16 -3.58 -0.01 0.00 0.06 0.00 0.00 34.95 31.26 1ckn s ARG 87 CO 0.06 -0.75 -0.06 -0.06 -2.50 0.00 0.00 175.30 171.99 1ckn s PHE 88 N 2.61 0.55 -0.24 5.12 0.08 -0.06 -4.29 117.98 121.76 1ckn s PHE 88 Ca 0.75 -0.14 -0.23 0.00 0.12 0.00 0.00 56.93 57.43 1ckn s PHE 88 Cb -0.41 -0.35 -0.01 0.00 -0.57 0.00 0.00 43.02 41.68 1ckn s PHE 88 CO 0.33 -0.01 0.76 1.41 -0.10 0.00 0.00 175.22 177.61 1ckn s MET 89 N -0.27 4.18 -0.06 0.44 -2.45 0.67 -1.13 119.30 120.68 1ckn s MET 89 Ca 0.01 0.82 -0.20 0.00 -1.25 0.00 0.00 55.69 55.07 1ckn s MET 89 Cb -0.03 -3.63 -0.05 0.00 1.25 0.00 0.00 34.83 32.37 1ckn s MET 89 CO -0.00 -0.45 0.56 1.41 1.05 0.00 0.00 175.02 177.59 1ckn s MET 90 N 2.62 4.33 -0.19 4.11 1.75 0.18 -0.37 119.30 131.73 1ckn s MET 90 Ca 0.32 0.63 -0.04 0.00 -1.25 0.00 0.00 55.69 55.35 1ckn s MET 90 Cb -0.15 -3.39 0.06 0.00 2.84 0.00 0.00 34.83 34.18 1ckn s MET 90 CO 0.08 0.24 0.06 0.12 -0.65 0.00 0.00 175.02 174.88 1ckn s PHE 91 N 0.29 0.62 -0.05 4.11 5.36 0.32 -1.12 117.98 127.51 1ckn s PHE 91 Ca 0.30 -0.61 -0.16 0.00 -0.96 0.00 0.00 56.93 55.50 1ckn s PHE 91 Cb -0.17 -0.87 -0.05 0.00 -0.34 0.00 0.00 43.02 41.59 1ckn s PHE 91 CO 0.14 -0.57 0.44 -0.06 -1.46 0.00 0.00 175.22 173.72 1ckn s PHE 92 N 2.00 3.64 0.00 10.12 0.40 0.03 -0.72 117.98 133.44 1ckn s PHE 92 Ca 0.01 0.96 0.00 0.00 -0.60 0.00 0.00 56.93 57.30 1ckn s PHE 92 Cb -0.17 -2.42 0.00 0.00 0.51 0.00 0.00 43.02 40.95 1ckn s PHE 92 CO -0.09 0.43 0.00 -2.37 0.70 0.00 0.00 175.22 173.89 1ckn n THR 93 N 2.64 0.00 -4.20 0.64 5.66 -0.58 -2.16 114.28 116.28 1ckn n THR 93 Ca -0.11 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.65 1ckn n THR 93 Cb 0.52 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.13 1ckn n THR 93 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1ckn s ARG 94 N -1.49 1.44 -0.04 1.09 0.52 -1.26 -0.56 118.95 118.66 1ckn s ARG 94 Ca 0.00 -0.27 0.06 0.00 -0.52 0.00 0.00 55.73 54.99 1ckn s ARG 94 Cb 0.00 -1.37 -0.01 0.00 0.52 0.00 0.00 34.95 34.09 1ckn s ARG 94 CO 0.00 -0.13 -0.21 0.14 0.02 0.00 0.00 175.30 175.12 1ckn s VAL 95 N 1.19 1.72 -1.36 3.52 -7.23 0.36 -4.70 120.40 113.91 1ckn s VAL 95 Ca -0.05 -0.89 -0.06 0.00 -1.81 0.00 0.00 61.98 59.16 1ckn s VAL 95 Cb -0.14 -1.45 0.00 0.00 0.56 0.00 0.00 36.38 35.35 1ckn s VAL 95 CO -0.02 0.48 0.47 0.49 -0.31 0.00 0.00 175.10 176.21 1ckn n PHE 96 N 2.88 -1.64 0.00 2.82 3.72 -1.26 0.12 117.46 124.10 1ckn n PHE 96 Ca -0.17 0.64 0.00 0.00 -0.05 0.00 0.00 57.45 57.87 1ckn n PHE 96 Cb 0.52 -3.55 0.00 0.00 -0.94 0.00 0.00 39.48 35.51 1ckn n PHE 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ckn n GLY 97 N -1.99 1.42 3.78 1.37 0.00 -1.26 -4.95 105.19 103.55 1ckn n GLY 97 Ca -0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 1ckn n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ckn s PHE 98 N -0.84 3.65 -0.19 1.61 0.08 0.12 -4.98 117.98 117.44 1ckn s PHE 98 Ca 0.00 1.02 -0.29 0.00 0.12 0.00 0.00 56.93 57.78 1ckn s PHE 98 Cb 0.00 -2.46 -0.02 0.00 -0.57 0.00 0.00 43.02 39.96 1ckn s PHE 98 CO 0.00 0.41 1.43 0.15 -0.10 0.00 0.00 175.22 177.11 1ckn s LYS 99 N -0.30 4.05 -0.10 0.44 1.02 -1.26 0.14 119.74 123.72 1ckn s LYS 99 Ca 0.26 1.68 0.03 0.00 0.02 0.00 0.00 55.97 57.95 1ckn s LYS 99 Cb -0.17 -3.89 0.01 0.00 -0.52 0.00 0.00 37.83 33.26 1ckn s LYS 99 CO 0.13 -0.96 -0.19 0.08 -0.92 0.00 0.00 175.35 173.50 1ckn s VAL 100 N 4.19 1.70 -0.38 3.17 1.01 0.28 -4.93 120.40 125.44 1ckn s VAL 100 Ca 0.62 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 1ckn s VAL 100 Cb -0.24 -1.51 0.03 0.00 0.00 0.00 0.00 36.38 34.66 1ckn s VAL 100 CO 0.23 0.48 0.21 0.00 0.00 0.00 0.00 175.10 176.02 1ckn s THR 102 N 1.56 5.08 -0.05 0.00 -4.23 0.10 -0.84 115.64 117.25 1ckn s THR 102 Ca 0.02 -0.95 0.04 0.00 -1.18 0.00 0.00 61.69 59.62 1ckn s THR 102 Cb -0.19 -3.69 -0.00 0.00 1.34 0.00 0.00 72.50 69.95 1ckn s THR 102 CO 0.07 -0.23 -0.19 0.27 -0.54 0.00 0.00 174.62 174.00 1ckn s ILE 103 N -1.89 1.59 -0.04 2.99 -4.36 -0.69 -0.52 121.20 118.27 1ckn s ILE 103 Ca 0.34 -0.79 0.04 0.00 -0.26 0.00 0.00 60.65 59.97 1ckn s ILE 103 Cb -0.10 -1.36 -0.00 0.00 1.25 0.00 0.00 42.46 42.25 1ckn s ILE 103 CO 0.28 0.45 -0.15 -0.63 0.24 0.00 0.00 174.94 175.13 1ckn s ILE 104 N 0.08 1.24 0.71 8.37 1.01 0.50 -1.71 121.20 131.40 1ckn s ILE 104 Ca -0.06 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 1ckn s ILE 104 Cb -0.13 -1.07 0.12 0.00 0.01 0.00 0.00 42.46 41.38 1ckn s ILE 104 CO 0.03 0.36 0.98 1.51 0.00 0.00 0.00 174.94 177.82 1ckn s ASP 105 N 0.07 4.43 0.46 3.58 1.47 -0.83 -0.24 116.67 125.62 1ckn s ASP 105 Ca -0.03 -0.31 0.13 0.00 1.18 0.00 0.00 52.55 53.52 1ckn s ASP 105 Cb -0.10 -0.12 1.08 0.00 -0.34 0.00 0.00 42.92 43.44 1ckn s ASP 105 CO 0.02 -1.80 2.08 0.03 0.68 0.00 0.00 175.17 176.17 1ckn h ARG 106 N -0.49 0.28 -0.26 2.11 3.08 -1.92 0.47 114.38 117.66 1ckn h ARG 106 Ca -0.37 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1ckn h ARG 106 Cb 1.27 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1ckn h ARG 106 CO 0.42 0.18 0.00 0.00 -1.07 0.00 0.00 179.97 179.50 1ckn n ALA 107 N -2.52 2.47 -2.55 0.04 0.00 -1.26 -4.61 120.51 112.09 1ckn n ALA 107 Ca 0.02 -0.51 -0.05 0.00 0.00 0.00 0.00 53.44 52.90 1ckn n ALA 107 Cb 0.15 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 18.60 1ckn n ALA 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ckn n MET 108 N 0.32 -1.39 -3.30 0.00 2.81 0.17 -5.04 117.12 110.69 1ckn n MET 108 Ca 0.11 0.20 -0.39 0.00 -1.81 0.00 0.00 57.70 55.82 1ckn n MET 108 Cb 0.26 -3.50 -0.07 0.00 -0.71 0.00 0.00 33.22 29.20 1ckn n MET 108 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1ckn s THR 109 N -2.82 5.13 -0.17 2.03 2.01 -1.25 -4.86 115.64 115.72 1ckn s THR 109 Ca 0.09 0.82 -0.08 0.00 0.31 0.00 0.00 61.69 62.83 1ckn s THR 109 Cb -0.04 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 1ckn s THR 109 CO 0.12 0.18 0.11 -0.69 -0.69 0.00 0.00 174.62 173.65 1ckn s VAL 110 N 1.71 5.27 0.14 3.82 1.01 -1.26 -1.96 120.40 129.12 1ckn s VAL 110 Ca 0.21 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.39 1ckn s VAL 110 Cb -0.15 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1ckn s VAL 110 CO 0.09 0.49 -0.17 -0.31 0.00 0.00 0.00 175.10 175.21 1ckn s TYR 111 N -0.02 1.62 0.18 5.22 1.51 -0.69 -0.76 117.35 124.40 1ckn s TYR 111 Ca 0.09 -0.50 -0.25 0.00 -1.01 0.00 0.00 57.07 55.40 1ckn s TYR 111 Cb -0.12 -0.83 -0.08 0.00 -0.11 0.00 0.00 41.96 40.82 1ckn s TYR 111 CO -0.00 0.23 0.78 -0.51 -1.11 0.00 0.00 175.55 174.93 1ckn s LEU 112 N -2.45 4.57 -0.32 -1.29 2.01 -0.25 -1.71 118.68 119.24 1ckn s LEU 112 Ca 0.11 1.63 -0.01 0.00 0.01 0.00 0.00 54.13 55.87 1ckn s LEU 112 Cb -0.06 -3.34 0.11 0.00 0.01 0.00 0.00 46.19 42.90 1ckn s LEU 112 CO 0.05 0.19 0.13 -0.22 1.01 0.00 0.00 176.35 177.50 1ckn s LEU 113 N -1.25 1.83 -0.12 1.79 2.96 -0.02 -4.25 118.68 119.62 1ckn s LEU 113 Ca 0.37 -1.71 -0.18 0.00 -0.22 0.00 0.00 54.13 52.38 1ckn s LEU 113 Cb -0.22 -0.74 -0.04 0.00 0.50 0.00 0.00 46.19 45.69 1ckn s LEU 113 CO 0.26 -0.40 0.47 -2.16 -1.32 0.00 0.00 176.35 173.20 1ckn s PRO 114 N 1.54 4.34 -0.07 0.98 0.04 -1.26 -4.54 135.00 136.04 1ckn s PRO 114 Ca 0.11 0.43 0.02 0.00 0.04 0.00 0.00 61.00 61.61 1ckn s PRO 114 Cb -0.18 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 1ckn s PRO 114 CO -0.23 0.16 -0.12 -0.06 0.04 0.00 0.00 177.00 176.79 1ckn s PHE 115 N 0.63 2.78 0.04 0.56 0.40 -1.26 -4.33 117.98 116.79 1ckn s PHE 115 Ca 0.26 -0.17 -0.20 0.00 -0.60 0.00 0.00 56.93 56.21 1ckn s PHE 115 Cb -0.15 -1.68 -0.10 0.00 0.51 0.00 0.00 43.02 41.60 1ckn s PHE 115 CO 0.10 0.17 1.31 -0.22 0.70 0.00 0.00 175.22 177.28 1ckn h LYS 116 N 5.50 -0.59 -1.50 0.44 3.64 -1.95 -3.33 116.57 118.79 1ckn h LYS 116 Ca -0.44 0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 58.74 1ckn h LYS 116 Cb 1.16 0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 33.01 1ckn h LYS 116 CO 0.52 -0.39 0.30 0.09 -2.27 0.00 0.00 179.45 177.70 1ckn n ASN 117 N -4.08 5.56 -4.71 4.20 3.02 -1.26 -4.95 115.26 113.05 1ckn n ASN 117 Ca -0.07 -2.84 -0.42 0.00 -0.03 0.00 0.00 54.58 51.22 1ckn n ASN 117 Cb 0.27 -0.98 -0.03 0.00 -0.61 0.00 0.00 39.78 38.43 1ckn n ASN 117 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ckn s ILE 118 N -1.62 4.28 0.32 2.41 -1.09 -1.25 -4.51 121.20 119.74 1ckn s ILE 118 Ca 0.23 1.64 -0.29 0.00 -2.23 0.00 0.00 60.65 59.99 1ckn s ILE 118 Cb 0.18 -4.05 -0.11 0.00 -1.58 0.00 0.00 42.46 36.90 1ckn s ILE 118 CO 0.01 0.12 1.54 -2.84 -1.23 0.00 0.00 174.94 172.54 1ckn s PRO 119 N 1.07 4.12 0.66 2.79 0.02 -1.26 -4.90 135.00 137.50 1ckn s PRO 119 Ca 0.57 2.56 0.44 0.00 0.02 0.00 0.00 61.00 64.59 1ckn s PRO 119 Cb -0.27 -3.00 2.38 0.00 0.02 0.00 0.00 34.50 33.62 1ckn s PRO 119 CO 0.29 -0.58 2.35 0.07 -0.33 0.00 0.00 177.00 178.80 1ckn h ARG 120 N 4.11 0.00 -0.52 5.54 0.11 -1.97 -0.67 114.38 120.99 1ckn h ARG 120 Ca -0.48 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.57 1ckn h ARG 120 Cb 1.23 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.28 1ckn h ARG 120 CO 0.73 0.00 0.23 0.28 0.10 0.00 0.00 179.97 181.31 1ckn h VAL 121 N 0.00 1.20 -1.01 0.08 2.07 -1.96 -2.53 116.25 114.11 1ckn h VAL 121 Ca 0.00 -0.60 0.23 0.00 0.82 0.00 0.00 66.70 67.15 1ckn h VAL 121 Cb 0.03 0.65 -0.11 0.00 -1.52 0.00 0.00 31.29 30.33 1ckn h VAL 121 CO 0.00 0.23 0.61 -0.07 0.02 0.00 0.00 177.57 178.37 1ckn h LEU 122 N 0.69 0.67 0.00 2.57 -0.00 -1.45 0.21 115.31 117.99 1ckn h LEU 122 Ca 0.18 0.11 0.00 0.00 -0.00 0.00 0.00 57.88 58.17 1ckn h LEU 122 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 1ckn h LEU 122 CO -0.02 0.16 0.00 0.49 -0.00 0.00 0.00 178.44 179.07 1ckn n PHE 123 N -4.80 0.00 0.33 1.13 3.72 -0.95 -1.63 117.46 115.25 1ckn n PHE 123 Ca 0.25 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.80 1ckn n PHE 123 Cb 0.71 -0.17 0.55 0.00 -0.94 0.00 0.00 39.48 39.63 1ckn n PHE 123 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1ckn h GLN 124 N 0.00 0.00 0.00 -1.08 4.20 -0.67 -3.38 115.11 114.18 1ckn h GLN 124 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ckn h GLN 124 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1ckn h GLN 124 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 1ckn n GLY 125 N 0.26 2.12 3.06 3.46 0.00 -0.65 -4.08 105.19 109.37 1ckn n GLY 125 Ca 0.02 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1ckn n GLY 125 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ckn s SER 126 N 0.00 2.21 -0.29 1.61 0.01 -0.89 -0.55 113.70 115.80 1ckn s SER 126 Ca 0.00 -0.38 0.02 0.00 1.31 0.00 0.00 55.95 56.90 1ckn s SER 126 Cb 0.00 -1.00 0.08 0.00 0.21 0.00 0.00 66.02 65.31 1ckn s SER 126 CO 0.00 0.04 0.01 -0.63 0.41 0.00 0.00 173.24 173.07 1ckn s ILE 127 N 0.74 1.79 0.09 1.44 1.01 -0.02 -0.79 121.20 125.46 1ckn s ILE 127 Ca -0.12 -1.76 0.07 0.00 0.00 0.00 0.00 60.65 58.84 1ckn s ILE 127 Cb -0.16 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 1ckn s ILE 127 CO 0.03 -0.40 -0.14 -0.36 0.00 0.00 0.00 174.94 174.06 1ckn s PHE 128 N 1.20 2.64 -0.07 3.97 0.08 -0.28 -0.16 117.98 125.36 1ckn s PHE 128 Ca 0.03 -0.21 -0.01 0.00 0.12 0.00 0.00 56.93 56.87 1ckn s PHE 128 Cb -0.19 -1.42 -0.03 0.00 -0.57 0.00 0.00 43.02 40.81 1ckn s PHE 128 CO -0.10 0.37 -0.01 0.34 -0.10 0.00 0.00 175.22 175.71 1ckn s ASP 129 N -1.96 5.10 0.00 1.36 -1.08 0.94 0.49 116.67 121.52 1ckn s ASP 129 Ca 0.18 0.09 0.00 0.00 -0.52 0.00 0.00 52.55 52.30 1ckn s ASP 129 Cb -0.11 -1.39 0.00 0.00 -1.46 0.00 0.00 42.92 39.96 1ckn s ASP 129 CO 0.10 0.36 0.00 0.61 0.52 0.00 0.00 175.17 176.76 1ckn n GLY 130 N 2.03 1.50 2.87 2.66 0.00 -0.28 0.10 105.19 114.06 1ckn n GLY 130 Ca -0.18 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 1ckn n GLY 130 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ckn s GLU 131 N 0.41 0.99 -0.01 1.61 2.56 -0.56 -0.88 118.70 122.82 1ckn s GLU 131 Ca 0.00 -0.10 -0.25 0.00 0.00 0.00 0.00 54.97 54.62 1ckn s GLU 131 Cb 0.00 -1.10 -0.04 0.00 2.00 0.00 0.00 34.13 34.99 1ckn s GLU 131 CO 0.00 -0.18 0.77 -1.17 -0.56 0.00 0.00 175.26 174.12 1ckn s LEU 132 N 1.41 4.37 0.00 2.70 1.98 0.95 -1.85 118.68 128.24 1ckn s LEU 132 Ca -0.03 1.36 -0.06 0.00 -2.89 0.00 0.00 54.13 52.51 1ckn s LEU 132 Cb -0.13 -3.22 0.03 0.00 0.66 0.00 0.00 46.19 43.52 1ckn s LEU 132 CO -0.03 -0.09 0.59 0.00 -1.89 0.00 0.00 176.35 174.92 1ckn s VAL 134 N -2.56 2.95 -0.37 0.00 1.01 -1.26 -0.16 120.40 120.01 1ckn s VAL 134 Ca 0.24 -0.74 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 1ckn s VAL 134 Cb -0.02 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1ckn s VAL 134 CO 0.17 0.56 0.87 -0.62 0.00 0.00 0.00 175.10 176.09 1ckn s ASP 135 N -0.24 6.63 0.27 3.32 -1.08 0.84 -4.52 116.67 121.89 1ckn s ASP 135 Ca 0.01 0.49 -0.02 0.00 -0.52 0.00 0.00 52.55 52.50 1ckn s ASP 135 Cb -0.13 -2.44 0.41 0.00 -1.46 0.00 0.00 42.92 39.30 1ckn s ASP 135 CO 0.03 -0.81 1.90 0.40 0.52 0.00 0.00 175.17 177.21 1ckn h ILE 136 N 5.80 1.12 -0.22 4.11 2.04 -0.56 0.18 117.51 129.99 1ckn h ILE 136 Ca -0.24 -0.40 -0.14 0.00 1.00 0.00 0.00 64.86 65.08 1ckn h ILE 136 Cb 1.08 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1ckn h ILE 136 CO 0.96 0.21 -0.46 0.58 0.00 0.00 0.00 178.15 179.44 1ckn h VAL 137 N 1.17 1.31 0.00 1.67 2.07 -1.75 -3.30 116.25 117.42 1ckn h VAL 137 Ca 0.40 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1ckn h VAL 137 Cb 0.10 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1ckn h VAL 137 CO -0.14 0.52 -1.19 -0.62 0.02 0.00 0.00 177.57 176.15 1ckn n GLU 138 N -4.00 1.08 -3.44 1.57 1.02 -1.00 -4.98 120.64 110.89 1ckn n GLU 138 Ca -0.02 -0.06 -0.25 0.00 -0.02 0.00 0.00 57.16 56.81 1ckn n GLU 138 Cb 0.55 -1.34 0.05 0.00 -0.02 0.00 0.00 31.44 30.68 1ckn n GLU 138 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ckn n LYS 139 N -1.68 -6.17 -4.25 3.49 4.01 0.60 -4.98 118.16 109.18 1ckn n LYS 139 Ca 0.01 0.79 -0.14 0.00 -0.51 0.00 0.00 58.31 58.46 1ckn n LYS 139 Cb 0.34 -5.73 -0.10 0.00 -0.51 0.00 0.00 35.03 29.03 1ckn n LYS 139 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1ckn s LYS 140 N -6.14 1.07 0.47 1.97 1.02 -1.22 -4.99 119.74 111.92 1ckn s LYS 140 Ca 0.49 -1.47 -0.19 0.00 0.02 0.00 0.00 55.97 54.82 1ckn s LYS 140 Cb -0.23 -0.52 -0.09 0.00 -0.52 0.00 0.00 37.83 36.47 1ckn s LYS 140 CO 0.61 0.01 0.98 -0.06 -0.92 0.00 0.00 175.35 175.97 1ckn s PHE 141 N -3.42 3.30 0.05 3.18 0.40 -1.26 -0.12 117.98 120.11 1ckn s PHE 141 Ca 0.18 1.56 0.03 0.00 -0.60 0.00 0.00 56.93 58.11 1ckn s PHE 141 Cb 0.04 -2.87 -0.03 0.00 0.51 0.00 0.00 43.02 40.67 1ckn s PHE 141 CO 0.01 -0.34 -0.11 0.00 0.70 0.00 0.00 175.22 175.49 1ckn s ALA 142 N -2.31 0.84 -0.27 5.36 0.00 0.77 -1.29 121.76 124.86 1ckn s ALA 142 Ca 0.62 -0.86 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 1ckn s ALA 142 Cb -0.11 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.04 1ckn s ALA 142 CO 0.21 0.07 -0.05 0.12 0.00 0.00 0.00 175.76 176.10 1ckn s PHE 143 N -1.30 3.20 -0.37 0.00 2.19 0.35 -0.62 117.98 121.43 1ckn s PHE 143 Ca -0.06 -1.93 -0.14 0.00 0.33 0.00 0.00 56.93 55.13 1ckn s PHE 143 Cb -0.10 -2.04 -0.00 0.00 -1.31 0.00 0.00 43.02 39.57 1ckn s PHE 143 CO 0.01 -0.81 0.26 0.08 1.83 0.00 0.00 175.22 176.59 1ckn s VAL 144 N 1.22 5.26 -0.17 3.12 1.01 -0.77 0.14 120.40 130.21 1ckn s VAL 144 Ca -0.05 -0.39 -0.24 0.00 0.00 0.00 0.00 61.98 61.30 1ckn s VAL 144 Cb -0.19 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1ckn s VAL 144 CO -0.03 -0.12 0.76 -0.76 0.00 0.00 0.00 175.10 174.94 1ckn s LEU 145 N 1.70 4.18 -0.03 3.92 1.43 0.12 -1.50 118.68 128.51 1ckn s LEU 145 Ca 0.06 1.07 0.03 0.00 -1.03 0.00 0.00 54.13 54.26 1ckn s LEU 145 Cb -0.18 -3.12 -0.25 0.00 0.03 0.00 0.00 46.19 42.67 1ckn s LEU 145 CO 0.10 -0.33 0.72 -0.26 0.23 0.00 0.00 176.35 176.81 1ckn h PHE 146 N 7.31 0.26 -1.38 0.29 0.04 -0.68 0.53 116.94 123.32 1ckn h PHE 146 Ca -0.31 -0.19 0.29 0.00 2.80 0.00 0.00 57.97 60.55 1ckn h PHE 146 Cb 1.14 -0.01 -0.18 0.00 2.20 0.00 0.00 35.95 39.10 1ckn h PHE 146 CO 0.71 1.30 0.85 0.34 -0.60 0.00 0.00 178.31 180.91 1ckn s ASP 147 N -6.66 -0.09 0.05 2.17 2.15 -1.21 -4.84 116.67 108.24 1ckn s ASP 147 Ca -0.09 -0.03 0.08 0.00 0.43 0.00 0.00 52.55 52.94 1ckn s ASP 147 Cb 0.07 0.12 -0.03 0.00 -0.30 0.00 0.00 42.92 42.79 1ckn s ASP 147 CO 0.82 -0.20 -0.22 0.00 -0.17 0.00 0.00 175.17 175.41 1ckn s ALA 148 N -2.34 1.87 -0.12 3.66 0.00 -1.26 -0.04 121.76 123.54 1ckn s ALA 148 Ca 0.11 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 1ckn s ALA 148 Cb 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 23.12 22.69 1ckn s ALA 148 CO -0.04 0.42 -0.12 0.28 0.00 0.00 0.00 175.76 176.30 1ckn n VAL 149 N 1.75 0.65 -4.21 0.00 0.31 0.77 -4.55 118.33 113.05 1ckn n VAL 149 Ca -0.17 -0.23 -0.19 0.00 -0.01 0.00 0.00 64.34 63.74 1ckn n VAL 149 Cb 0.53 -1.12 -0.16 0.00 -0.91 0.00 0.00 33.84 32.19 1ckn n VAL 149 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1ckn s VAL 150 N -2.23 0.54 -0.12 2.52 1.01 -1.19 -0.90 120.40 120.04 1ckn s VAL 150 Ca -0.16 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1ckn s VAL 150 Cb 0.05 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.92 1ckn s VAL 150 CO 0.25 0.20 -0.14 -0.69 0.00 0.00 0.00 175.10 174.71 1ckn s VAL 151 N 0.49 1.48 -1.69 2.92 1.01 0.08 -0.84 120.40 123.85 1ckn s VAL 151 Ca -0.06 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 1ckn s VAL 151 Cb -0.10 -1.37 0.14 0.00 0.00 0.00 0.00 36.38 35.06 1ckn s VAL 151 CO 0.00 0.44 0.68 -1.20 0.00 0.00 0.00 175.10 175.02 1ckn n SER 152 N 4.37 -2.54 0.00 3.32 7.64 -0.36 0.23 113.62 126.29 1ckn n SER 152 Ca -0.18 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.64 1ckn n SER 152 Cb 0.51 -2.58 0.00 0.00 -1.01 0.00 0.00 64.21 61.13 1ckn n SER 152 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ckn n GLY 153 N -1.49 2.37 3.60 0.23 0.00 0.29 -4.67 105.19 105.52 1ckn n GLY 153 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1ckn n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ckn s VAL 154 N -2.26 4.91 -0.19 1.61 1.01 0.14 -5.00 120.40 120.61 1ckn s VAL 154 Ca 0.00 0.94 -0.29 0.00 0.00 0.00 0.00 61.98 62.63 1ckn s VAL 154 Cb 0.00 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1ckn s VAL 154 CO 0.00 -0.16 1.78 -0.89 0.00 0.00 0.00 175.10 175.83 1ckn s THR 155 N 2.68 3.46 -0.84 3.92 2.01 -1.26 -0.75 115.64 124.87 1ckn s THR 155 Ca 0.27 0.52 0.16 0.00 0.31 0.00 0.00 61.69 62.94 1ckn s THR 155 Cb -0.15 -3.49 -0.14 0.00 0.01 0.00 0.00 72.50 68.73 1ckn s THR 155 CO 0.12 -0.22 0.69 0.52 -0.69 0.00 0.00 174.62 175.04 1ckn n VAL 156 N 6.61 0.00 0.16 3.82 0.31 -0.08 -4.71 118.33 124.45 1ckn n VAL 156 Ca 0.21 -0.16 0.14 0.00 -0.01 0.00 0.00 64.34 64.52 1ckn n VAL 156 Cb 0.45 1.03 0.69 0.00 -0.91 0.00 0.00 33.84 35.09 1ckn n VAL 156 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1ckn h SER 157 N 0.26 0.00 0.06 4.52 4.64 -1.29 0.13 113.55 121.87 1ckn h SER 157 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ckn h SER 157 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1ckn h SER 157 CO 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 175.92 1ckn n GLN 158 N -4.38 1.32 -2.38 4.77 1.13 -1.26 -0.88 117.38 115.70 1ckn n GLN 158 Ca 0.02 -0.63 -0.27 0.00 -1.94 0.00 0.00 57.00 54.18 1ckn n GLN 158 Cb 0.30 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.19 1ckn n GLN 158 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1ckn s MET 159 N -2.12 2.98 0.84 -1.09 -1.94 0.44 -4.58 119.30 113.84 1ckn s MET 159 Ca 0.37 0.05 -0.12 0.00 -1.71 0.00 0.00 55.69 54.28 1ckn s MET 159 Cb 0.21 -2.26 0.10 0.00 2.01 0.00 0.00 34.83 34.88 1ckn s MET 159 CO 0.38 -0.68 1.14 0.16 -0.01 0.00 0.00 175.02 176.02 1ckn s ASP 160 N -4.29 4.15 0.17 3.03 -4.77 -1.26 -4.42 116.67 109.27 1ckn s ASP 160 Ca 0.54 0.96 -0.15 0.00 -3.30 0.00 0.00 52.55 50.59 1ckn s ASP 160 Cb -0.11 -1.54 0.12 0.00 -1.09 0.00 0.00 42.92 40.31 1ckn s ASP 160 CO 0.46 -2.15 1.72 0.25 0.70 0.00 0.00 175.17 176.15 1ckn h LEU 161 N -1.22 -0.03 -1.22 2.11 5.85 -1.59 0.23 115.31 119.44 1ckn h LEU 161 Ca -0.48 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1ckn h LEU 161 Cb 1.32 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 1ckn h LEU 161 CO 0.63 0.02 0.34 0.00 -0.34 0.00 0.00 178.44 179.09 1ckn h ALA 162 N 1.33 1.40 -0.41 1.25 0.00 -1.93 -1.49 119.26 119.41 1ckn h ALA 162 Ca 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ckn h ALA 162 Cb 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ckn h ALA 162 CO -0.28 0.49 0.17 0.77 0.00 0.00 0.00 179.25 180.39 1ckn h SER 163 N 0.89 0.57 -0.79 0.00 0.02 -1.31 0.21 113.55 113.15 1ckn h SER 163 Ca 0.23 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1ckn h SER 163 Cb 0.03 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.38 1ckn h SER 163 CO -0.04 0.58 0.50 0.03 -1.14 0.00 0.00 176.83 176.77 1ckn h ARG 164 N 0.53 0.96 -0.53 3.45 3.08 -1.08 0.34 114.38 121.12 1ckn h ARG 164 Ca 0.14 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 1ckn h ARG 164 Cb 0.18 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1ckn h ARG 164 CO -0.01 0.63 -0.10 0.74 -1.07 0.00 0.00 179.97 180.16 1ckn h PHE 165 N 0.99 1.12 -0.22 3.04 -1.00 -0.91 0.46 116.94 120.42 1ckn h PHE 165 Ca 0.31 -0.23 0.03 0.00 2.81 0.00 0.00 57.97 60.89 1ckn h PHE 165 Cb -0.00 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.25 1ckn h PHE 165 CO -0.03 1.04 0.02 0.35 -1.61 0.00 0.00 178.31 178.08 1ckn h PHE 166 N 0.87 0.03 0.33 -0.55 3.57 0.21 0.39 116.94 121.80 1ckn h PHE 166 Ca 0.14 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1ckn h PHE 166 Cb 0.66 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1ckn h PHE 166 CO 0.05 -0.01 -0.23 0.00 -2.23 0.00 0.00 178.31 175.89 1ckn h ALA 167 N 1.18 -0.54 -0.10 2.41 0.00 -0.08 -1.77 119.26 120.36 1ckn h ALA 167 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ckn h ALA 167 Cb 0.12 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ckn h ALA 167 CO -0.16 -0.82 0.06 1.98 0.00 0.00 0.00 179.25 180.31 1ckn h MET 168 N -0.55 0.13 0.00 0.00 1.85 0.40 -1.96 114.93 114.80 1ckn h MET 168 Ca -0.03 -0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 59.01 1ckn h MET 168 Cb 0.47 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.47 1ckn h MET 168 CO 0.01 0.11 -0.21 0.87 -0.40 0.00 0.00 176.91 177.29 1ckn h LYS 169 N 0.11 0.00 0.01 0.39 1.57 -0.28 -2.31 116.57 116.05 1ckn h LYS 169 Ca 0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1ckn h LYS 169 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1ckn h LYS 169 CO -0.01 0.21 -0.00 0.00 -0.57 0.00 0.00 179.45 179.08 1ckn h ARG 170 N 0.00 -0.01 -0.04 3.15 3.08 -0.77 -1.82 114.38 117.99 1ckn h ARG 170 Ca -0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1ckn h ARG 170 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1ckn h ARG 170 CO 0.03 0.29 0.03 0.66 -1.07 0.00 0.00 179.97 179.91 1ckn h SER 171 N -0.31 0.00 -0.11 7.04 4.64 -0.82 -1.64 113.55 122.35 1ckn h SER 171 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ckn h SER 171 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1ckn h SER 171 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1ckn n LEU 172 N -4.38 2.90 -0.42 5.97 4.77 -1.07 -4.55 117.00 120.21 1ckn n LEU 172 Ca -0.02 -1.13 0.35 0.00 -0.03 0.00 0.00 56.01 55.17 1ckn n LEU 172 Cb 0.13 -0.06 0.63 0.00 -2.33 0.00 0.00 43.42 41.79 1ckn n LEU 172 CO 0.33 0.53 1.24 0.50 -1.33 0.00 0.00 177.39 178.66 1ckn h LYS 173 N 4.11 0.13 -0.42 3.23 1.63 -0.39 0.97 116.57 125.84 1ckn h LYS 173 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1ckn h LYS 173 Cb 0.89 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 1ckn h LYS 173 CO 0.00 0.09 0.00 0.39 -3.45 0.00 0.00 179.45 176.48 1ckn n GLU 174 N -4.65 2.47 -2.76 1.90 4.71 -1.26 -4.93 120.64 116.12 1ckn n GLU 174 Ca 0.35 -2.18 -0.42 0.00 -0.01 0.00 0.00 57.16 54.91 1ckn n GLU 174 Cb 1.34 -1.41 -0.04 0.00 -1.01 0.00 0.00 31.44 30.33 1ckn n GLU 174 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1ckn s PHE 175 N -1.12 3.68 -0.05 -0.32 5.36 0.33 -5.01 117.98 120.86 1ckn s PHE 175 Ca 0.33 1.67 0.03 0.00 -0.96 0.00 0.00 56.93 58.00 1ckn s PHE 175 Cb 0.18 -3.07 0.00 0.00 -0.34 0.00 0.00 43.02 39.80 1ckn s PHE 175 CO 0.24 0.05 -0.15 0.15 -1.46 0.00 0.00 175.22 174.06 1ckn s LYS 176 N 0.75 1.76 0.17 10.12 1.02 -1.26 -5.08 119.74 127.22 1ckn s LYS 176 Ca 0.49 -0.53 -0.30 0.00 0.02 0.00 0.00 55.97 55.65 1ckn s LYS 176 Cb -0.21 -1.49 -0.07 0.00 -0.52 0.00 0.00 37.83 35.54 1ckn s LYS 176 CO 0.27 0.15 1.08 -0.80 -0.92 0.00 0.00 175.35 175.13 1ckn s ASN 177 N 0.29 7.30 0.13 2.83 0.01 -1.26 -4.56 114.94 119.68 1ckn s ASN 177 Ca -0.09 2.05 0.03 0.00 -0.71 0.00 0.00 52.86 54.14 1ckn s ASN 177 Cb -0.13 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.89 1ckn s ASN 177 CO 0.03 -0.20 0.17 0.68 -1.51 0.00 0.00 177.10 176.27 1ckn s VAL 178 N -0.19 4.82 0.65 1.60 -7.23 -1.26 -4.98 120.40 113.81 1ckn s VAL 178 Ca 0.49 -0.82 0.34 0.00 -1.81 0.00 0.00 61.98 60.18 1ckn s VAL 178 Cb -0.29 -3.42 0.35 0.00 0.56 0.00 0.00 36.38 33.59 1ckn s VAL 178 CO 0.34 -0.02 2.07 -0.65 -0.31 0.00 0.00 175.10 176.53 1ckn h PRO 179 N 2.64 0.00 -0.12 4.82 0.11 -2.02 -0.33 132.00 137.10 1ckn h PRO 179 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ckn h PRO 179 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ckn h PRO 179 CO 0.67 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.85 1ckn n GLU 180 N -3.16 1.77 -2.72 1.05 4.71 -1.26 -4.90 120.64 116.14 1ckn n GLU 180 Ca -0.01 -1.15 -0.35 0.00 -0.01 0.00 0.00 57.16 55.64 1ckn n GLU 180 Cb 0.31 -1.43 -0.06 0.00 -1.01 0.00 0.00 31.44 29.25 1ckn n GLU 180 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1ckn s ASP 181 N -1.72 6.93 0.36 1.62 1.01 -0.14 -4.99 116.67 119.75 1ckn s ASP 181 Ca 0.34 1.83 0.26 0.00 0.71 0.00 0.00 52.55 55.70 1ckn s ASP 181 Cb 0.19 -2.56 0.81 0.00 1.01 0.00 0.00 42.92 42.37 1ckn s ASP 181 CO 0.29 -0.36 1.76 1.55 0.21 0.00 0.00 175.17 178.61 1ckn h PRO 182 N 2.33 0.00 -3.00 8.23 0.13 -1.90 -3.44 132.00 134.36 1ckn h PRO 182 Ca -0.48 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 1ckn h PRO 182 Cb 1.20 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.05 1ckn h PRO 182 CO 0.62 0.00 -0.42 0.00 -0.23 0.00 0.00 178.00 177.97 1ckn s ALA 183 N -3.29 -0.68 -0.04 -0.56 0.00 -1.26 -4.59 121.76 111.33 1ckn s ALA 183 Ca 0.06 0.97 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 1ckn s ALA 183 Cb 0.09 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1ckn s ALA 183 CO 0.57 -0.18 1.23 0.42 0.00 0.00 0.00 175.76 177.80 1ckn s ILE 184 N 0.77 4.17 0.00 0.00 1.01 -0.41 -4.73 121.20 122.01 1ckn s ILE 184 Ca -0.05 1.51 -0.30 0.00 0.00 0.00 0.00 60.65 61.81 1ckn s ILE 184 Cb -0.06 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 1ckn s ILE 184 CO -0.05 0.00 1.20 -0.76 0.00 0.00 0.00 174.94 175.33 1ckn s LEU 185 N 2.19 4.33 0.23 2.97 1.43 -1.26 0.13 118.68 128.70 1ckn s LEU 185 Ca 0.57 1.91 0.01 0.00 -1.03 0.00 0.00 54.13 55.59 1ckn s LEU 185 Cb -0.26 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.35 1ckn s LEU 185 CO 0.23 -0.52 0.08 -0.13 0.23 0.00 0.00 176.35 176.23 1ckn s ARG 186 N 1.64 1.31 -0.04 1.70 0.52 0.37 -4.89 118.95 119.56 1ckn s ARG 186 Ca 0.57 -1.69 0.07 0.00 -0.52 0.00 0.00 55.73 54.16 1ckn s ARG 186 Cb -0.27 -0.21 -0.02 0.00 0.52 0.00 0.00 34.95 34.97 1ckn s ARG 186 CO 0.26 -0.26 -0.25 0.71 0.02 0.00 0.00 175.30 175.78 1ckn s TYR 187 N -3.77 2.42 0.13 -0.53 2.02 -1.26 0.12 117.35 116.48 1ckn s TYR 187 Ca 0.34 -0.57 -0.31 0.00 -0.37 0.00 0.00 57.07 56.16 1ckn s TYR 187 Cb 0.07 -1.56 -0.09 0.00 -0.40 0.00 0.00 41.96 39.98 1ckn s TYR 187 CO 0.11 -0.12 1.55 0.21 -1.57 0.00 0.00 175.55 175.74 1ckn s LYS 188 N -0.37 4.23 -0.48 -0.62 2.47 0.18 -4.77 119.74 120.38 1ckn s LYS 188 Ca 0.03 2.30 -0.19 0.00 -1.56 0.00 0.00 55.97 56.55 1ckn s LYS 188 Cb -0.12 -3.28 0.05 0.00 -1.46 0.00 0.00 37.83 33.01 1ckn s LYS 188 CO 0.02 -0.61 0.58 -2.00 0.16 0.00 0.00 175.35 173.50 1ckn s GLU 189 N 1.52 3.13 -0.09 4.03 2.56 -1.26 -4.95 118.70 123.64 1ckn s GLU 189 Ca 0.70 -0.82 -0.23 0.00 0.00 0.00 0.00 54.97 54.61 1ckn s GLU 189 Cb -0.41 -4.06 -0.03 0.00 2.00 0.00 0.00 34.13 31.62 1ckn s GLU 189 CO 0.31 -1.12 0.71 -1.58 -0.56 0.00 0.00 175.26 173.02 1ckn s TRP 190 N 2.52 3.54 -0.04 5.30 0.52 -1.26 -4.76 118.94 124.75 1ckn s TRP 190 Ca 0.15 1.22 0.06 0.00 0.02 0.00 0.00 56.10 57.55 1ckn s TRP 190 Cb -0.18 -2.83 -0.01 0.00 -1.15 0.00 0.00 33.47 29.29 1ckn s TRP 190 CO 0.13 0.02 -0.23 0.42 0.02 0.00 0.00 176.95 177.31 1ckn s ILE 191 N 1.08 1.89 0.21 2.03 -1.09 -1.00 -4.87 121.20 119.46 1ckn s ILE 191 Ca 0.37 -0.99 -0.30 0.00 -2.23 0.00 0.00 60.65 57.50 1ckn s ILE 191 Cb -0.17 -1.59 -0.08 0.00 -1.58 0.00 0.00 42.46 39.03 1ckn s ILE 191 CO 0.17 0.53 1.16 -2.84 -1.23 0.00 0.00 174.94 172.73 1ckn s PRO 192 N -0.23 4.54 0.18 2.79 0.02 -1.26 0.98 135.00 142.03 1ckn s PRO 192 Ca -0.00 1.84 0.12 0.00 0.02 0.00 0.00 61.00 62.98 1ckn s PRO 192 Cb -0.12 -3.23 0.64 0.00 0.02 0.00 0.00 34.50 31.81 1ckn s PRO 192 CO 0.02 0.01 1.34 -0.11 -0.33 0.00 0.00 177.00 177.94 1ckn n LEU 193 N 2.09 0.31 -1.35 -5.54 0.00 0.21 0.78 117.00 113.50 1ckn n LEU 193 Ca 0.02 0.63 0.10 0.00 0.00 0.00 0.00 56.01 56.76 1ckn n LEU 193 Cb 0.45 -0.66 0.31 0.00 0.00 0.00 0.00 43.42 43.52 1ckn n LEU 193 CO 0.55 -0.73 0.77 -1.84 0.00 0.00 0.00 177.39 176.14 1ckn n GLU 194 N -1.91 2.94 -2.65 1.96 0.00 -1.26 -4.17 120.64 115.55 1ckn n GLU 194 Ca -0.01 -2.52 -0.29 0.00 0.00 0.00 0.00 57.16 54.34 1ckn n GLU 194 Cb 0.05 -1.65 -0.01 0.00 0.00 0.00 0.00 31.44 29.82 1ckn n GLU 194 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1ckn n HIS 195 N 1.32 3.63 -0.30 -1.84 8.25 0.23 -4.96 115.22 121.55 1ckn n HIS 195 Ca 0.23 -3.41 0.20 0.00 -0.26 0.00 0.00 57.72 54.48 1ckn n HIS 195 Cb 0.67 -0.41 0.39 0.00 1.12 0.00 0.00 29.99 31.76 1ckn n HIS 195 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1ckn n PRO 196 N -0.36 -0.06 0.22 -0.41 -0.04 -1.26 0.72 135.00 133.81 1ckn n PRO 196 Ca 0.37 1.28 0.09 0.00 -0.04 0.00 0.00 63.50 65.20 1ckn n PRO 196 Cb 0.49 -2.16 0.50 0.00 -0.04 0.00 0.00 33.50 32.29 1ckn n PRO 196 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1ckn h THR 197 N 0.00 0.74 0.11 0.52 2.02 -1.94 0.21 112.91 114.57 1ckn h THR 197 Ca 0.64 -1.06 -0.33 0.00 0.77 0.00 0.00 66.41 66.44 1ckn h THR 197 Cb 1.53 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.59 1ckn h THR 197 CO -0.76 0.25 -1.73 0.40 0.37 0.00 0.00 175.52 174.04 1ckn h ILE 198 N 0.00 0.92 0.25 3.11 1.08 -0.10 -3.04 117.51 119.72 1ckn h ILE 198 Ca -0.00 -2.61 -0.01 0.00 -0.39 0.00 0.00 64.86 61.85 1ckn h ILE 198 Cb 0.64 2.63 0.00 0.00 -3.07 0.00 0.00 36.82 37.03 1ckn h ILE 198 CO 0.03 0.80 -0.12 0.40 -0.69 0.00 0.00 178.15 178.57 1ckn h ILE 199 N 0.06 0.79 -0.76 -0.67 2.04 -0.55 -1.35 117.51 117.08 1ckn h ILE 199 Ca -0.32 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.39 1ckn h ILE 199 Cb 2.03 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 38.98 1ckn h ILE 199 CO 0.13 0.05 0.43 0.11 0.00 0.00 0.00 178.15 178.87 1ckn h LYS 200 N -0.45 0.73 -0.48 2.37 1.57 -0.71 1.16 116.57 120.76 1ckn h LYS 200 Ca -0.03 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1ckn h LYS 200 Cb 0.34 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1ckn h LYS 200 CO 0.06 0.48 -0.00 0.22 -0.57 0.00 0.00 179.45 179.63 1ckn h ASP 201 N 0.75 0.84 -0.19 0.86 3.58 -1.52 0.65 116.42 121.40 1ckn h ASP 201 Ca 0.35 -0.31 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 1ckn h ASP 201 Cb 0.27 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1ckn h ASP 201 CO -0.22 0.94 0.01 -0.74 -2.88 0.00 0.00 179.24 176.36 1ckn h HIS 202 N 0.71 0.35 -0.14 0.28 2.76 -0.02 0.18 115.15 119.27 1ckn h HIS 202 Ca 0.14 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1ckn h HIS 202 Cb 0.52 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 1ckn h HIS 202 CO 0.04 0.51 0.08 -0.07 -1.30 0.00 0.00 177.93 177.20 1ckn h LEU 203 N 0.09 0.16 0.26 0.26 3.38 0.18 0.72 115.31 120.37 1ckn h LEU 203 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1ckn h LEU 203 Cb 0.37 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1ckn h LEU 203 CO 0.01 0.12 -0.13 0.11 0.09 0.00 0.00 178.44 178.65 1ckn h LYS 204 N 0.19 -0.34 -0.57 1.13 1.57 0.10 -2.87 116.57 115.78 1ckn h LYS 204 Ca 0.05 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.92 1ckn h LYS 204 Cb -0.01 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1ckn h LYS 204 CO -0.01 0.01 0.38 0.87 -0.57 0.00 0.00 179.45 180.13 1ckn h LYS 205 N -0.87 0.47 -0.62 3.15 1.57 -0.95 -2.37 116.57 116.95 1ckn h LYS 205 Ca -0.04 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1ckn h LYS 205 Cb 0.51 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1ckn h LYS 205 CO 0.06 0.31 0.01 0.00 -0.57 0.00 0.00 179.45 179.27 1ckn h ALA 206 N 1.70 0.84 -0.00 3.86 0.00 -0.81 -2.56 119.26 122.30 1ckn h ALA 206 Ca 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ckn h ALA 206 Cb 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ckn h ALA 206 CO -0.07 0.67 -0.01 0.09 0.00 0.00 0.00 179.25 179.93 1ckn n ASN 207 N -4.18 0.17 0.11 0.00 3.02 -0.90 -0.27 115.26 113.22 1ckn n ASN 207 Ca 0.03 -0.76 -0.02 0.00 -0.03 0.00 0.00 54.58 53.80 1ckn n ASN 207 Cb 0.34 -0.08 0.06 0.00 -0.61 0.00 0.00 39.78 39.49 1ckn n ASN 207 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ckn h ALA 208 N 3.83 0.69 0.00 5.41 0.00 -1.33 -3.39 119.26 124.47 1ckn h ALA 208 Ca 0.00 -0.66 -0.38 0.00 0.00 0.00 0.00 54.91 53.88 1ckn h ALA 208 Cb 0.16 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1ckn h ALA 208 CO 0.00 0.91 -2.40 -0.89 0.00 0.00 0.00 179.25 176.87 1ckn n ILE 209 N -3.51 1.44 -4.52 0.00 5.41 0.63 -4.32 119.36 114.50 1ckn n ILE 209 Ca -0.00 -0.75 -0.24 0.00 1.00 0.00 0.00 62.75 62.76 1ckn n ILE 209 Cb 0.75 -0.85 -0.10 0.00 -0.71 0.00 0.00 39.64 38.73 1ckn n ILE 209 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1ckn s TYR 210 N -2.50 1.99 -0.22 1.39 2.02 -0.56 0.16 117.35 119.63 1ckn s TYR 210 Ca -0.19 -0.99 -0.09 0.00 -0.37 0.00 0.00 57.07 55.43 1ckn s TYR 210 Cb 0.07 -1.36 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 1ckn s TYR 210 CO 0.74 0.03 0.10 -1.01 -1.57 0.00 0.00 175.55 173.84 1ckn s HIS 211 N -3.16 3.26 0.39 2.71 3.76 -1.26 -4.57 115.29 116.42 1ckn s HIS 211 Ca 0.31 0.07 0.08 0.00 -0.15 0.00 0.00 55.06 55.36 1ckn s HIS 211 Cb 0.07 -2.18 -0.07 0.00 1.11 0.00 0.00 32.58 31.51 1ckn s HIS 211 CO 0.14 0.05 0.05 0.95 -0.85 0.00 0.00 174.74 175.08 1ckn s THR 212 N 0.82 2.23 -0.31 1.30 -4.23 -1.26 0.17 115.64 114.35 1ckn s THR 212 Ca 0.05 -1.93 0.16 0.00 -1.18 0.00 0.00 61.69 58.79 1ckn s THR 212 Cb -0.13 -2.93 0.47 0.00 1.34 0.00 0.00 72.50 71.25 1ckn s THR 212 CO 0.02 -0.06 1.06 -0.67 -0.54 0.00 0.00 174.62 174.44 1ckn n ASP 213 N -1.03 2.51 0.00 3.99 2.03 0.24 -4.73 116.55 119.57 1ckn n ASP 213 Ca -0.04 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.48 1ckn n ASP 213 Cb 0.65 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 1ckn n ASP 213 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ckn n GLY 214 N -0.40 0.55 2.98 0.27 0.00 -1.25 -4.17 105.19 103.17 1ckn n GLY 214 Ca 0.18 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 1ckn n GLY 214 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ckn s LEU 215 N 0.00 2.23 -0.12 0.99 0.05 0.07 -0.47 118.68 121.43 1ckn s LEU 215 Ca 0.00 -0.49 -0.02 0.00 0.05 0.00 0.00 54.13 53.68 1ckn s LEU 215 Cb 0.00 0.08 -0.03 0.00 -2.05 0.00 0.00 46.19 44.19 1ckn s LEU 215 CO 0.00 -0.28 -0.05 -0.63 -0.55 0.00 0.00 176.35 174.84 1ckn s ILE 216 N -1.40 3.82 -0.21 1.48 -1.09 0.39 -0.05 121.20 124.14 1ckn s ILE 216 Ca -0.15 -0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 57.85 1ckn s ILE 216 Cb -0.10 -2.63 0.01 0.00 -1.58 0.00 0.00 42.46 38.16 1ckn s ILE 216 CO -0.01 0.54 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.50 1ckn s ILE 217 N -0.11 2.73 -0.04 2.92 1.01 0.71 -0.27 121.20 128.14 1ckn s ILE 217 Ca 0.02 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 59.92 1ckn s ILE 217 Cb -0.13 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 1ckn s ILE 217 CO 0.03 0.41 -0.20 -0.32 0.00 0.00 0.00 174.94 174.86 1ckn s MET 218 N 1.36 1.90 -0.15 2.79 1.75 0.86 -1.69 119.30 126.13 1ckn s MET 218 Ca 0.04 -0.71 -0.39 0.00 -1.25 0.00 0.00 55.69 53.38 1ckn s MET 218 Cb -0.14 -1.70 -0.16 0.00 2.84 0.00 0.00 34.83 35.67 1ckn s MET 218 CO -0.07 0.34 1.62 0.45 -0.65 0.00 0.00 175.02 176.70 1ckn n SER 219 N 2.92 2.23 0.23 1.11 2.88 -1.26 0.61 113.62 122.34 1ckn n SER 219 Ca -0.17 1.08 0.10 0.00 -1.33 0.00 0.00 58.87 58.55 1ckn n SER 219 Cb 0.53 -1.17 0.56 0.00 -0.75 0.00 0.00 64.21 63.37 1ckn n SER 219 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1ckn h VAL 220 N 4.61 0.70 0.00 2.46 2.07 -1.81 -3.40 116.25 120.89 1ckn h VAL 220 Ca -0.47 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1ckn h VAL 220 Cb 1.32 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1ckn h VAL 220 CO 0.90 0.21 -0.62 -0.90 0.02 0.00 0.00 177.57 177.18 1ckn n ASP 221 N -3.63 3.11 -4.48 0.57 5.68 -1.26 -1.79 116.55 114.75 1ckn n ASP 221 Ca -0.01 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.89 1ckn n ASP 221 Cb 0.34 0.49 0.03 0.00 -1.14 0.00 0.00 41.12 40.84 1ckn n ASP 221 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ckn n GLU 222 N -1.14 0.60 -0.53 0.11 1.02 -1.26 -4.23 120.64 115.21 1ckn n GLU 222 Ca 0.00 0.23 -0.29 0.00 -0.02 0.00 0.00 57.16 57.08 1ckn n GLU 222 Cb 0.13 -1.69 0.24 0.00 -0.02 0.00 0.00 31.44 30.10 1ckn n GLU 222 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1ckn s PRO 223 N -1.98 -0.70 0.23 3.49 0.04 -1.26 -4.55 135.00 130.26 1ckn s PRO 223 Ca 0.67 0.99 -0.32 0.00 0.04 0.00 0.00 61.00 62.39 1ckn s PRO 223 Cb -0.49 -1.57 -0.13 0.00 0.04 0.00 0.00 34.50 32.36 1ckn s PRO 223 CO 0.55 -3.62 1.58 0.28 0.04 0.00 0.00 177.00 175.83 1ckn n VAL 224 N -4.87 0.49 -4.17 -0.36 0.31 -0.06 -5.01 118.33 104.66 1ckn n VAL 224 Ca 0.04 -0.12 -0.35 0.00 -0.01 0.00 0.00 64.34 63.90 1ckn n VAL 224 Cb 0.54 -1.75 -0.09 0.00 -0.91 0.00 0.00 33.84 31.62 1ckn n VAL 224 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ckn s ILE 225 N 0.51 4.62 -0.16 2.52 -1.09 -1.26 -4.95 121.20 121.39 1ckn s ILE 225 Ca 0.71 -0.11 -0.14 0.00 -2.23 0.00 0.00 60.65 58.88 1ckn s ILE 225 Cb -0.58 -3.01 -0.05 0.00 -1.58 0.00 0.00 42.46 37.25 1ckn s ILE 225 CO 0.42 0.55 0.30 -0.31 -1.23 0.00 0.00 174.94 174.66 1ckn s TYR 226 N -0.35 3.45 0.00 3.97 2.02 -1.26 -1.38 117.35 123.81 1ckn s TYR 226 Ca 0.08 0.59 0.00 0.00 -0.37 0.00 0.00 57.07 57.37 1ckn s TYR 226 Cb -0.12 -2.35 0.00 0.00 -0.40 0.00 0.00 41.96 39.08 1ckn s TYR 226 CO 0.02 0.22 0.00 0.41 -1.57 0.00 0.00 175.55 174.63 1ckn n GLY 227 N 3.44 -1.47 3.72 0.71 0.00 0.20 -4.83 105.19 106.95 1ckn n GLY 227 Ca -0.12 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 1ckn n GLY 227 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ckn s ARG 228 N 0.00 4.24 -0.33 1.61 6.06 -1.26 0.11 118.95 129.38 1ckn s ARG 228 Ca 0.00 2.29 0.03 0.00 -2.50 0.00 0.00 55.73 55.54 1ckn s ARG 228 Cb 0.00 -3.21 0.10 0.00 0.06 0.00 0.00 34.95 31.90 1ckn s ARG 228 CO 0.00 -0.57 0.06 1.21 -2.50 0.00 0.00 175.30 173.49 1ckn s ASN 229 N 1.22 4.59 0.00 -2.12 3.84 0.39 -4.76 114.94 118.10 1ckn s ASN 229 Ca 0.69 -2.01 0.00 0.00 0.21 0.00 0.00 52.86 51.75 1ckn s ASN 229 Cb -0.42 -1.45 0.01 0.00 -0.55 0.00 0.00 41.25 38.84 1ckn s ASN 229 CO 0.31 -0.38 0.99 0.49 -2.79 0.00 0.00 177.10 175.72 1ckn n PHE 230 N 4.39 0.01 -1.20 0.43 3.72 -1.26 0.02 117.46 123.57 1ckn n PHE 230 Ca 0.02 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.46 1ckn n PHE 230 Cb 0.42 -0.49 0.22 0.00 -0.94 0.00 0.00 39.48 38.69 1ckn n PHE 230 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1ckn n ASN 231 N -1.49 3.11 -4.11 4.37 5.15 -1.26 -4.88 115.26 116.15 1ckn n ASN 231 Ca -0.00 -3.35 -0.31 0.00 -0.60 0.00 0.00 54.58 50.31 1ckn n ASN 231 Cb 0.02 -0.57 -0.16 0.00 -0.53 0.00 0.00 39.78 38.53 1ckn n ASN 231 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1ckn s LEU 232 N -3.02 1.95 -0.08 1.20 0.20 0.10 -4.22 118.68 114.82 1ckn s LEU 232 Ca 0.42 -0.55 0.04 0.00 0.69 0.00 0.00 54.13 54.73 1ckn s LEU 232 Cb 0.36 -1.33 -0.01 0.00 -0.43 0.00 0.00 46.19 44.78 1ckn s LEU 232 CO 0.04 0.03 -0.21 -0.36 -0.29 0.00 0.00 176.35 175.55 1ckn s PHE 233 N 1.06 2.57 0.07 5.38 0.08 -0.68 -0.68 117.98 125.78 1ckn s PHE 233 Ca -0.02 -0.72 0.04 0.00 0.12 0.00 0.00 56.93 56.35 1ckn s PHE 233 Cb -0.14 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.59 1ckn s PHE 233 CO -0.06 -0.22 -0.02 -1.59 -0.10 0.00 0.00 175.22 173.23 1ckn s LYS 234 N -0.01 2.52 -0.08 0.44 -2.85 0.15 -0.21 119.74 119.70 1ckn s LYS 234 Ca -0.07 -0.82 0.00 0.00 -1.00 0.00 0.00 55.97 54.09 1ckn s LYS 234 Cb -0.15 -2.52 0.02 0.00 -2.06 0.00 0.00 37.83 33.12 1ckn s LYS 234 CO 0.05 0.55 -0.07 -1.17 0.10 0.00 0.00 175.35 174.81 1ckn s LEU 235 N -2.08 1.25 -0.06 2.77 2.96 0.93 -2.14 118.68 122.32 1ckn s LEU 235 Ca 0.23 -0.23 -0.29 0.00 -0.22 0.00 0.00 54.13 53.62 1ckn s LEU 235 Cb -0.11 -0.69 -0.02 0.00 0.50 0.00 0.00 46.19 45.86 1ckn s LEU 235 CO 0.15 -0.08 0.98 -0.54 -1.32 0.00 0.00 176.35 175.55 1ckn s LYS 236 N 1.30 4.48 -0.29 1.98 -0.14 -1.26 -0.75 119.74 125.06 1ckn s LYS 236 Ca -0.04 1.38 -0.29 0.00 -1.36 0.00 0.00 55.97 55.66 1ckn s LYS 236 Cb -0.14 -3.50 -0.06 0.00 -1.68 0.00 0.00 37.83 32.45 1ckn s LYS 236 CO -0.03 -0.18 2.26 -2.30 -0.76 0.00 0.00 175.35 174.34 1ckn n PRO 237 N 4.45 1.66 0.00 -1.68 -0.02 -1.26 -4.73 135.00 133.42 1ckn n PRO 237 Ca 0.07 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1ckn n PRO 237 Cb 0.50 -3.14 0.00 0.00 -0.02 0.00 0.00 33.50 30.83 1ckn n PRO 237 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ckn n GLY 238 N 5.94 -0.47 1.80 -1.23 0.00 -1.26 -4.00 105.19 105.97 1ckn n GLY 238 Ca 0.33 -1.09 0.07 0.00 0.00 0.00 0.00 46.02 45.33 1ckn n GLY 238 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ckn n THR 239 N 0.00 2.54 -1.92 2.61 -2.24 -1.26 -4.67 114.28 109.33 1ckn n THR 239 Ca 0.00 -1.31 -0.36 0.00 -2.27 0.00 0.00 64.05 60.11 1ckn n THR 239 Cb 0.00 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 67.97 1ckn n THR 239 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ckn n HIS 240 N 0.65 2.34 -3.57 4.78 -0.00 -1.26 -4.88 115.22 113.28 1ckn n HIS 240 Ca 0.26 -2.44 -0.32 0.00 -0.00 0.00 0.00 57.72 55.22 1ckn n HIS 240 Cb 1.12 -1.52 -0.05 0.00 -0.00 0.00 0.00 29.99 29.54 1ckn n HIS 240 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1ckn s HIS 241 N -2.13 3.45 0.21 -1.40 0.09 -1.26 -5.00 115.29 109.25 1ckn s HIS 241 Ca 0.53 0.67 0.02 0.00 -0.00 0.00 0.00 55.06 56.29 1ckn s HIS 241 Cb 0.28 -2.10 -0.05 0.00 -0.00 0.00 0.00 32.58 30.71 1ckn s HIS 241 CO -0.18 0.37 0.02 0.95 -0.00 0.00 0.00 174.74 175.90 1ckn s THR 242 N -1.73 0.77 0.05 1.30 -4.23 -1.26 -4.22 115.64 106.33 1ckn s THR 242 Ca 0.43 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1ckn s THR 242 Cb -0.12 -2.28 -0.03 0.00 1.34 0.00 0.00 72.50 71.40 1ckn s THR 242 CO 0.23 -0.34 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.30 1ckn s ILE 243 N -3.60 0.28 -0.27 2.99 -1.09 0.17 -4.97 121.20 114.71 1ckn s ILE 243 Ca 0.28 -1.54 -0.09 0.00 -2.23 0.00 0.00 60.65 57.08 1ckn s ILE 243 Cb 0.06 -1.14 -0.03 0.00 -1.58 0.00 0.00 42.46 39.77 1ckn s ILE 243 CO 0.07 -0.80 0.12 -1.81 -1.23 0.00 0.00 174.94 171.29 1ckn s ASP 244 N -2.45 5.45 0.32 3.58 1.11 -1.26 -0.68 116.67 122.74 1ckn s ASP 244 Ca 0.00 -0.24 0.07 0.00 0.18 0.00 0.00 52.55 52.56 1ckn s ASP 244 Cb 0.02 -1.99 -0.02 0.00 1.07 0.00 0.00 42.92 42.00 1ckn s ASP 244 CO -0.06 -0.08 0.38 -0.36 1.18 0.00 0.00 175.17 176.24 1ckn s PHE 245 N 1.65 3.07 -0.13 4.23 0.08 -0.33 -0.62 117.98 125.93 1ckn s PHE 245 Ca 0.06 -0.22 -0.05 0.00 0.12 0.00 0.00 56.93 56.83 1ckn s PHE 245 Cb -0.16 -1.86 -0.04 0.00 -0.57 0.00 0.00 43.02 40.40 1ckn s PHE 245 CO 0.06 0.13 0.07 -1.50 -0.10 0.00 0.00 175.22 173.87 1ckn s ILE 246 N -2.20 4.86 -0.21 0.64 2.07 -0.83 -0.11 121.20 125.42 1ckn s ILE 246 Ca 0.42 -0.03 -0.29 0.00 -1.41 0.00 0.00 60.65 59.34 1ckn s ILE 246 Cb -0.08 -3.12 -0.02 0.00 0.13 0.00 0.00 42.46 39.37 1ckn s ILE 246 CO 0.29 0.56 1.41 -0.63 -1.91 0.00 0.00 174.94 174.66 1ckn s ILE 247 N -0.48 4.00 -2.33 2.00 -1.09 0.11 0.05 121.20 123.47 1ckn s ILE 247 Ca 0.10 1.16 0.24 0.00 -2.23 0.00 0.00 60.65 59.93 1ckn s ILE 247 Cb -0.12 -3.91 0.16 0.00 -1.58 0.00 0.00 42.46 37.01 1ckn s ILE 247 CO 0.02 -0.28 1.30 0.23 -1.23 0.00 0.00 174.94 174.98 1ckn n MET 248 N 7.19 1.53 -3.53 2.79 2.81 0.35 0.46 117.12 128.71 1ckn n MET 248 Ca 0.16 -1.18 -0.17 0.00 -1.81 0.00 0.00 57.70 54.70 1ckn n MET 248 Cb 0.45 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.43 1ckn n MET 248 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1ckn s SER 249 N -2.28 -0.62 0.54 7.83 0.01 -1.23 -4.92 113.70 113.03 1ckn s SER 249 Ca 0.25 0.63 0.35 0.00 1.31 0.00 0.00 55.95 58.49 1ckn s SER 249 Cb 0.19 0.53 1.66 0.00 0.21 0.00 0.00 66.02 68.61 1ckn s SER 249 CO 0.46 -0.62 2.06 1.05 0.41 0.00 0.00 173.24 176.59 1ckn h GLU 250 N 3.00 0.00 -0.36 12.44 4.11 -1.93 -0.05 114.58 131.79 1ckn h GLU 250 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1ckn h GLU 250 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1ckn h GLU 250 CO 0.39 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.07 1ckn n ASP 251 N -2.92 0.98 0.00 3.06 5.68 -1.26 0.59 116.55 122.67 1ckn n ASP 251 Ca -0.01 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 52.24 1ckn n ASP 251 Cb 0.20 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 1ckn n ASP 251 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckn n GLY 252 N 0.52 0.45 3.58 6.12 0.00 -0.03 -4.41 105.19 111.42 1ckn n GLY 252 Ca 0.04 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 1ckn n GLY 252 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ckn s THR 253 N -2.00 3.01 0.15 2.61 2.01 -1.25 0.66 115.64 120.83 1ckn s THR 253 Ca 0.00 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 1ckn s THR 253 Cb 0.00 -3.02 -0.07 0.00 0.01 0.00 0.00 72.50 69.43 1ckn s THR 253 CO 0.00 -0.01 1.00 0.27 -0.69 0.00 0.00 174.62 175.19 1ckn s ILE 254 N 10.03 4.22 0.30 1.82 -4.36 -1.17 0.13 121.20 132.17 1ckn s ILE 254 Ca 0.99 1.92 0.10 0.00 -0.26 0.00 0.00 60.65 63.41 1ckn s ILE 254 Cb -0.26 -4.23 -0.05 0.00 1.25 0.00 0.00 42.46 39.17 1ckn s ILE 254 CO 0.31 0.33 -0.06 -0.83 0.24 0.00 0.00 174.94 174.94 1ckn s GLY 255 N -0.23 1.92 0.05 6.27 0.00 0.11 -1.09 107.32 114.34 1ckn s GLY 255 Ca 0.47 -1.87 0.06 0.00 0.00 0.00 0.00 44.72 43.38 1ckn s GLY 255 CO 0.32 -1.88 -0.16 -0.42 0.00 0.00 0.00 173.10 170.96 1ckn s ILE 256 N -2.47 1.27 -0.07 0.90 -1.09 -0.31 -1.96 121.20 117.47 1ckn s ILE 256 Ca 0.32 -1.14 -0.23 0.00 -2.23 0.00 0.00 60.65 57.37 1ckn s ILE 256 Cb -0.03 -1.15 -0.04 0.00 -1.58 0.00 0.00 42.46 39.66 1ckn s ILE 256 CO 0.18 -0.01 0.70 0.12 -1.23 0.00 0.00 174.94 174.71 1ckn s PHE 257 N -0.95 3.58 -0.48 3.97 5.36 -0.36 0.51 117.98 129.61 1ckn s PHE 257 Ca 0.02 1.25 -0.15 0.00 -0.96 0.00 0.00 56.93 57.10 1ckn s PHE 257 Cb -0.09 -2.81 0.09 0.00 -0.34 0.00 0.00 43.02 39.87 1ckn s PHE 257 CO 0.02 0.09 0.40 0.34 -1.46 0.00 0.00 175.22 174.60 1ckn s ASP 258 N 0.80 6.08 0.60 6.13 -1.08 0.34 -2.11 116.67 127.44 1ckn s ASP 258 Ca 0.37 -1.46 0.39 0.00 -0.52 0.00 0.00 52.55 51.34 1ckn s ASP 258 Cb -0.18 -2.16 1.92 0.00 -1.46 0.00 0.00 42.92 41.04 1ckn s ASP 258 CO 0.18 -0.68 2.17 1.55 0.52 0.00 0.00 175.17 178.92 1ckn h PRO 259 N 8.73 0.00 0.00 4.34 0.13 -1.96 1.23 132.00 144.47 1ckn h PRO 259 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1ckn h PRO 259 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1ckn h PRO 259 CO 0.90 0.00 -1.03 0.27 -0.23 0.00 0.00 178.00 177.90 1ckn n ASN 260 N -3.04 0.91 0.03 1.44 0.23 -1.26 -3.53 115.26 110.04 1ckn n ASN 260 Ca -0.01 -0.91 -0.03 0.00 -0.53 0.00 0.00 54.58 53.10 1ckn n ASN 260 Cb 0.17 1.07 -0.09 0.00 -2.08 0.00 0.00 39.78 38.85 1ckn n ASN 260 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1ckn h LEU 261 N 0.00 0.00 -0.87 -4.53 3.38 -1.65 -3.47 115.31 108.17 1ckn h LEU 261 Ca 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 1ckn h LEU 261 Cb 0.52 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.34 1ckn h LEU 261 CO 0.00 0.71 -0.71 0.54 0.09 0.00 0.00 178.44 179.07 1ckn n ARG 262 N -2.99 -7.12 -4.21 1.13 1.74 0.41 -4.99 116.66 100.63 1ckn n ARG 262 Ca -0.10 0.75 -0.16 0.00 -0.77 0.00 0.00 57.85 57.57 1ckn n ARG 262 Cb 0.89 -5.75 -0.14 0.00 -1.02 0.00 0.00 32.46 26.45 1ckn n ARG 262 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ckn s LYS 263 N -6.42 0.60 -0.03 5.56 1.02 -1.18 -4.99 119.74 114.30 1ckn s LYS 263 Ca 0.61 -0.45 -0.18 0.00 0.02 0.00 0.00 55.97 55.97 1ckn s LYS 263 Cb -0.28 -0.53 -0.05 0.00 -0.52 0.00 0.00 37.83 36.44 1ckn s LYS 263 CO 0.76 0.13 0.50 -0.80 -0.92 0.00 0.00 175.35 175.02 1ckn s ASN 264 N -0.67 6.84 -0.14 2.83 0.01 -1.26 -0.50 114.94 122.04 1ckn s ASN 264 Ca -0.01 1.00 -0.03 0.00 -0.71 0.00 0.00 52.86 53.12 1ckn s ASN 264 Cb -0.05 -2.31 -0.03 0.00 0.41 0.00 0.00 41.25 39.27 1ckn s ASN 264 CO 0.00 0.15 -0.05 -0.69 -1.51 0.00 0.00 177.10 175.00 1ckn s VAL 265 N -0.29 3.77 0.06 1.60 1.01 0.18 -4.86 120.40 121.88 1ckn s VAL 265 Ca 0.27 -0.41 -0.31 0.00 0.00 0.00 0.00 61.98 61.54 1ckn s VAL 265 Cb -0.17 -2.64 -0.07 0.00 0.00 0.00 0.00 36.38 33.50 1ckn s VAL 265 CO 0.14 0.51 1.50 -2.84 0.00 0.00 0.00 175.10 174.41 1ckn s PRO 266 N 0.24 4.26 0.00 2.72 0.02 -1.26 -1.16 135.00 139.82 1ckn s PRO 266 Ca -0.04 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.13 1ckn s PRO 266 Cb -0.14 -3.49 0.00 0.00 0.02 0.00 0.00 34.50 30.89 1ckn s PRO 266 CO 0.03 -0.60 0.00 0.28 -0.33 0.00 0.00 177.00 176.38 1ckn n VAL 267 N 4.49 0.00 -2.43 3.83 0.31 -0.25 -4.95 118.33 119.33 1ckn n VAL 267 Ca 0.14 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1ckn n VAL 267 Cb 0.42 0.34 0.00 0.00 -0.91 0.00 0.00 33.84 33.69 1ckn n VAL 267 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ckn n GLY 268 N 1.47 1.70 3.40 2.92 0.00 -1.17 -5.04 105.19 108.47 1ckn n GLY 268 Ca 0.00 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 1ckn n GLY 268 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ckn s LYS 269 N 1.16 0.85 0.18 1.61 2.20 -1.26 -3.06 119.74 121.42 1ckn s LYS 269 Ca 0.00 0.17 0.09 0.00 -0.36 0.00 0.00 55.97 55.86 1ckn s LYS 269 Cb 0.00 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.67 1ckn s LYS 269 CO 0.00 -0.23 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.16 1ckn s LEU 270 N -1.01 2.99 -0.38 5.43 1.43 0.21 -4.83 118.68 122.52 1ckn s LEU 270 Ca -0.10 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 52.28 1ckn s LEU 270 Cb -0.03 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.52 1ckn s LEU 270 CO 0.06 0.10 0.36 -1.81 0.23 0.00 0.00 176.35 175.29 1ckn s ASP 271 N -2.83 6.15 0.00 2.29 1.01 -1.26 -4.43 116.67 117.59 1ckn s ASP 271 Ca 0.25 -0.53 0.00 0.00 0.71 0.00 0.00 52.55 52.98 1ckn s ASP 271 Cb -0.09 -2.19 0.00 0.00 1.01 0.00 0.00 42.92 41.65 1ckn s ASP 271 CO 0.15 -0.42 0.00 0.61 0.21 0.00 0.00 175.17 175.72 1ckn n GLY 272 N 5.07 -0.77 3.52 0.21 0.00 -1.26 -5.03 105.19 106.92 1ckn n GLY 272 Ca -0.09 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 1ckn n GLY 272 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ckn s TYR 273 N -2.01 2.82 0.06 1.61 2.02 -1.26 -4.45 117.35 116.13 1ckn s TYR 273 Ca 0.00 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 1ckn s TYR 273 Cb 0.00 -1.68 -0.04 0.00 -0.40 0.00 0.00 41.96 39.85 1ckn s TYR 273 CO 0.00 0.24 -0.05 0.71 -1.57 0.00 0.00 175.55 174.88 1ckn s TYR 274 N -0.71 0.60 -0.30 2.71 2.02 0.20 -4.95 117.35 116.92 1ckn s TYR 274 Ca 0.11 -0.87 -0.23 0.00 -0.37 0.00 0.00 57.07 55.70 1ckn s TYR 274 Cb -0.11 -0.40 -0.00 0.00 -0.40 0.00 0.00 41.96 41.05 1ckn s TYR 274 CO 0.01 -0.25 0.78 1.21 -1.57 0.00 0.00 175.55 175.73 1ckn s ASN 275 N -2.57 6.67 0.23 2.29 2.47 -1.26 -4.22 114.94 118.55 1ckn s ASN 275 Ca 0.03 0.69 -0.31 0.00 0.42 0.00 0.00 52.86 53.69 1ckn s ASN 275 Cb 0.02 -2.40 -0.14 0.00 -1.45 0.00 0.00 41.25 37.28 1ckn s ASN 275 CO -0.06 -0.59 1.30 1.17 -3.72 0.00 0.00 177.10 175.20 1ckn n LYS 276 N 6.15 1.75 0.00 0.43 4.81 -1.26 -2.02 118.16 128.02 1ckn n LYS 276 Ca 0.03 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 1ckn n LYS 276 Cb 0.48 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.32 1ckn n LYS 276 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ckn n GLY 277 N 1.92 1.92 3.79 3.14 0.00 0.17 -4.97 105.19 111.16 1ckn n GLY 277 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1ckn n GLY 277 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ckn s SER 278 N -2.17 4.49 -0.25 1.61 0.01 -0.86 -4.70 113.70 111.83 1ckn s SER 278 Ca 0.00 1.46 -0.05 0.00 1.31 0.00 0.00 55.95 58.67 1ckn s SER 278 Cb 0.00 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1ckn s SER 278 CO 0.00 -1.99 0.01 -0.63 0.41 0.00 0.00 173.24 171.04 1ckn s ILE 279 N -3.07 3.60 -0.12 1.44 -1.09 -1.26 0.09 121.20 120.80 1ckn s ILE 279 Ca 0.61 -0.61 -0.02 0.00 -2.23 0.00 0.00 60.65 58.40 1ckn s ILE 279 Cb -0.15 -2.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.95 1ckn s ILE 279 CO 0.55 0.26 -0.05 0.68 -1.23 0.00 0.00 174.94 175.15 1ckn s VAL 280 N 1.48 3.79 -0.25 2.92 -7.23 0.84 -0.01 120.40 121.94 1ckn s VAL 280 Ca 0.04 -0.42 -0.18 0.00 -1.81 0.00 0.00 61.98 59.61 1ckn s VAL 280 Cb -0.16 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 1ckn s VAL 280 CO -0.01 0.54 0.54 -0.70 -0.31 0.00 0.00 175.10 175.17 1ckn s GLU 281 N -0.16 4.10 0.13 4.82 2.12 0.25 -1.18 118.70 128.77 1ckn s GLU 281 Ca 0.02 0.39 0.09 0.00 0.36 0.00 0.00 54.97 55.84 1ckn s GLU 281 Cb -0.13 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 1ckn s GLU 281 CO 0.03 -0.33 -0.23 0.00 -0.54 0.00 0.00 175.26 174.19 1ckn s GLY 283 N -2.15 1.73 0.14 0.00 0.00 0.06 -0.65 107.32 106.44 1ckn s GLY 283 Ca 0.12 -1.49 -0.24 0.00 0.00 0.00 0.00 44.72 43.11 1ckn s GLY 283 CO 0.06 -1.51 0.73 -0.12 0.00 0.00 0.00 173.10 172.26 1ckn s PHE 284 N -1.76 3.88 -0.28 1.90 5.36 -1.26 0.73 117.98 126.55 1ckn s PHE 284 Ca 0.25 1.55 -0.18 0.00 -0.96 0.00 0.00 56.93 57.60 1ckn s PHE 284 Cb -0.09 -2.72 0.08 0.00 -0.34 0.00 0.00 43.02 39.96 1ckn s PHE 284 CO 0.16 0.51 0.70 0.00 -1.46 0.00 0.00 175.22 175.13 1ckn s ALA 285 N -1.06 -1.87 -1.09 11.12 0.00 0.17 -4.85 121.76 124.18 1ckn s ALA 285 Ca 0.34 2.36 -0.25 0.00 0.00 0.00 0.00 51.96 54.42 1ckn s ALA 285 Cb -0.22 -1.39 0.03 0.00 0.00 0.00 0.00 23.12 21.54 1ckn s ALA 285 CO 0.25 -0.37 0.65 -0.25 0.00 0.00 0.00 175.76 176.03 1ckn n ASP 286 N 4.04 -4.29 0.00 0.00 8.00 -1.26 -1.45 116.55 121.59 1ckn n ASP 286 Ca -0.19 -1.21 0.00 0.00 0.71 0.00 0.00 54.79 54.10 1ckn n ASP 286 Cb 0.58 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1ckn n ASP 286 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ckn n GLY 287 N -1.97 3.08 3.35 0.44 0.00 -1.26 -4.98 105.19 103.85 1ckn n GLY 287 Ca -0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 1ckn n GLY 287 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ckn s THR 288 N -1.72 1.49 0.12 2.61 -4.23 -0.53 -5.12 115.64 108.26 1ckn s THR 288 Ca 0.00 -2.13 -0.27 0.00 -1.18 0.00 0.00 61.69 58.11 1ckn s THR 288 Cb 0.00 -2.19 -0.07 0.00 1.34 0.00 0.00 72.50 71.58 1ckn s THR 288 CO 0.00 -0.48 0.83 0.26 -0.54 0.00 0.00 174.62 174.69 1ckn s TRP 289 N -3.12 3.84 -0.08 3.99 0.52 -1.26 0.41 118.94 123.24 1ckn s TRP 289 Ca 0.25 1.66 0.02 0.00 0.02 0.00 0.00 56.10 58.05 1ckn s TRP 289 Cb 0.02 -2.88 -0.02 0.00 -1.15 0.00 0.00 33.47 29.44 1ckn s TRP 289 CO 0.08 0.36 -0.13 0.15 0.02 0.00 0.00 176.95 177.42 1ckn s LYS 290 N -0.55 2.81 0.27 4.98 -0.14 0.22 -4.89 119.74 122.45 1ckn s LYS 290 Ca 0.40 -0.68 -0.30 0.00 -1.36 0.00 0.00 55.97 54.02 1ckn s LYS 290 Cb -0.23 -2.47 -0.13 0.00 -1.68 0.00 0.00 37.83 33.32 1ckn s LYS 290 CO 0.27 0.49 1.36 0.98 -0.76 0.00 0.00 175.35 177.69 1ckn n TYR 291 N 2.70 2.16 -0.01 3.18 9.36 -1.26 -0.76 117.16 132.53 1ckn n TYR 291 Ca -0.18 0.47 -0.04 0.00 3.32 0.00 0.00 57.90 61.48 1ckn n TYR 291 Cb 0.52 -2.44 -0.01 0.00 -0.63 0.00 0.00 39.34 36.78 1ckn n TYR 291 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1ckn n ILE 292 N 1.43 0.63 -3.66 2.97 5.41 0.30 -4.81 119.36 121.63 1ckn n ILE 292 Ca 0.10 0.07 -0.15 0.00 1.00 0.00 0.00 62.75 63.77 1ckn n ILE 292 Cb 0.33 -1.63 -0.08 0.00 -0.71 0.00 0.00 39.64 37.55 1ckn n ILE 292 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ckn s GLN 293 N -2.12 0.77 0.36 0.38 -2.07 -0.50 -5.00 119.66 111.48 1ckn s GLN 293 Ca -0.07 0.23 -0.25 0.00 -1.82 0.00 0.00 55.36 53.45 1ckn s GLN 293 Cb 0.02 0.36 -0.09 0.00 -1.09 0.00 0.00 33.01 32.21 1ckn s GLN 293 CO 0.09 -0.20 1.02 0.20 -1.32 0.00 0.00 175.29 175.08 1ckn s GLY 294 N -0.79 2.78 -0.40 2.60 0.00 -1.26 0.85 107.32 111.10 1ckn s GLY 294 Ca -0.09 0.65 -0.04 0.00 0.00 0.00 0.00 44.72 45.25 1ckn s GLY 294 CO 0.05 1.10 0.20 0.50 0.00 0.00 0.00 173.10 174.94 1ckn s ARG 295 N -2.27 2.12 0.29 2.90 1.81 0.98 -4.85 118.95 119.92 1ckn s ARG 295 Ca 0.54 -1.74 0.25 0.00 -1.72 0.00 0.00 55.73 53.06 1ckn s ARG 295 Cb -0.21 -3.58 0.63 0.00 -0.45 0.00 0.00 34.95 31.33 1ckn s ARG 295 CO 0.27 -1.03 1.70 0.77 -0.68 0.00 0.00 175.30 176.33 1ckn h SER 296 N 8.10 0.00 0.29 0.23 0.02 -1.96 -3.12 113.55 117.11 1ckn h SER 296 Ca -0.15 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1ckn h SER 296 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1ckn h SER 296 CO 0.70 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.49 1ckn n ASP 297 N -2.56 0.00 -4.33 3.07 5.75 -1.26 -4.84 116.55 112.39 1ckn n ASP 297 Ca 0.05 -0.36 -0.22 0.00 -0.01 0.00 0.00 54.79 54.24 1ckn n ASP 297 Cb 0.47 -0.18 -0.11 0.00 -1.03 0.00 0.00 41.12 40.27 1ckn n ASP 297 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1ckn s LYS 298 N -2.35 1.25 -0.01 0.11 -0.14 -1.18 -5.01 119.74 112.41 1ckn s LYS 298 Ca 0.30 -1.37 0.02 0.00 -1.36 0.00 0.00 55.97 53.56 1ckn s LYS 298 Cb 0.17 -1.35 0.03 0.00 -1.68 0.00 0.00 37.83 35.00 1ckn s LYS 298 CO 0.35 0.28 0.83 0.27 -0.76 0.00 0.00 175.35 176.33 1ckn n ASN 299 N 0.43 1.16 -4.08 2.83 6.94 -1.26 -4.60 115.26 116.68 1ckn n ASN 299 Ca -0.14 -1.73 -0.22 0.00 -0.02 0.00 0.00 54.58 52.46 1ckn n ASN 299 Cb 0.56 -0.05 -0.15 0.00 -2.36 0.00 0.00 39.78 37.78 1ckn n ASN 299 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 1ckn s GLN 300 N -0.73 1.18 0.89 -3.83 2.00 -1.26 -4.97 119.66 112.94 1ckn s GLN 300 Ca 0.03 -0.45 -0.12 0.00 -2.00 0.00 0.00 55.36 52.81 1ckn s GLN 300 Cb 0.03 -1.10 0.12 0.00 0.80 0.00 0.00 33.01 32.85 1ckn s GLN 300 CO 0.00 0.23 1.13 0.00 -0.50 0.00 0.00 175.29 176.15 1ckn s ALA 301 N -0.10 1.85 0.87 1.58 0.00 -1.26 -4.88 121.76 119.81 1ckn s ALA 301 Ca 0.01 -0.44 -0.10 0.00 0.00 0.00 0.00 51.96 51.43 1ckn s ALA 301 Cb -0.07 -3.06 0.12 0.00 0.00 0.00 0.00 23.12 20.11 1ckn s ALA 301 CO 0.00 -2.18 1.12 -0.80 0.00 0.00 0.00 175.76 173.90 1ckn s ASN 302 N -3.97 3.49 0.58 0.00 0.01 0.21 -4.59 114.94 110.67 1ckn s ASN 302 Ca 0.63 1.98 -0.02 0.00 -0.71 0.00 0.00 52.86 54.74 1ckn s ASN 302 Cb -0.15 -2.52 0.03 0.00 0.41 0.00 0.00 41.25 39.03 1ckn s ASN 302 CO 0.54 -2.71 0.84 1.51 -1.51 0.00 0.00 177.10 175.77 1ckn s ASP 303 N -2.99 5.31 0.20 -1.22 -4.77 -1.26 -1.23 116.67 110.71 1ckn s ASP 303 Ca 0.64 0.30 -0.10 0.00 -3.30 0.00 0.00 52.55 50.09 1ckn s ASP 303 Cb -0.20 -1.20 0.20 0.00 -1.09 0.00 0.00 42.92 40.63 1ckn s ASP 303 CO 0.57 -1.17 1.82 0.08 0.70 0.00 0.00 175.17 177.17 1ckn h ARG 304 N -0.09 0.71 -0.91 2.11 0.11 -1.76 -0.17 114.38 114.37 1ckn h ARG 304 Ca -0.44 -0.04 0.03 0.00 0.10 0.00 0.00 59.98 59.63 1ckn h ARG 304 Cb 1.29 -0.16 -0.05 0.00 1.11 0.00 0.00 29.97 32.16 1ckn h ARG 304 CO 0.57 0.47 0.60 -0.07 0.10 0.00 0.00 179.97 181.63 1ckn h LEU 305 N 0.73 1.00 -0.62 0.08 -0.00 -1.94 0.88 115.31 115.44 1ckn h LEU 305 Ca 0.28 -0.01 -0.13 0.00 -0.00 0.00 0.00 57.88 58.02 1ckn h LEU 305 Cb 0.10 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.52 1ckn h LEU 305 CO -0.14 0.69 -0.28 0.74 -0.00 0.00 0.00 178.44 179.45 1ckn h THR 306 N 1.16 1.28 0.60 0.22 2.02 -1.69 -0.38 112.91 116.12 1ckn h THR 306 Ca 0.35 -1.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.09 1ckn h THR 306 Cb -0.02 1.29 0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1ckn h THR 306 CO -0.10 0.47 -0.29 0.22 0.37 0.00 0.00 175.52 176.19 1ckn h TYR 307 N 0.67 -0.74 -0.98 3.16 3.20 0.41 -0.83 116.97 121.86 1ckn h TYR 307 Ca 0.08 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.03 1ckn h TYR 307 Cb 0.81 0.25 -0.07 0.00 1.54 0.00 0.00 36.73 39.25 1ckn h TYR 307 CO 0.04 -0.41 0.63 0.93 -1.64 0.00 0.00 178.16 177.71 1ckn h GLU 308 N -1.00 1.01 -0.37 1.82 5.08 0.84 -0.81 114.58 121.15 1ckn h GLU 308 Ca -0.08 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.08 1ckn h GLU 308 Cb 0.67 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1ckn h GLU 308 CO 0.13 0.67 -0.29 -0.22 -1.00 0.00 0.00 179.01 178.30 1ckn h LYS 309 N 1.04 0.85 -0.16 2.33 1.63 -1.04 -3.04 116.57 118.18 1ckn h LYS 309 Ca 0.46 -0.42 -0.08 0.00 -0.85 0.00 0.00 60.65 59.76 1ckn h LYS 309 Cb 0.36 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 1ckn h LYS 309 CO -0.22 1.06 -0.26 1.15 -3.45 0.00 0.00 179.45 177.74 1ckn h THR 310 N 0.64 1.25 -0.25 1.00 2.02 0.28 -1.36 112.91 116.49 1ckn h THR 310 Ca 0.07 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 1ckn h THR 310 Cb 0.87 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1ckn h THR 310 CO 0.08 0.36 0.12 -0.07 0.37 0.00 0.00 175.52 176.37 1ckn h LEU 311 N 0.26 0.32 -0.47 2.58 3.38 -1.28 -0.33 115.31 119.77 1ckn h LEU 311 Ca 0.04 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1ckn h LEU 311 Cb 0.60 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1ckn h LEU 311 CO 0.04 0.36 0.22 0.25 0.09 0.00 0.00 178.44 179.40 1ckn h LEU 312 N 0.26 0.30 -1.18 1.67 5.85 -1.35 0.04 115.31 120.91 1ckn h LEU 312 Ca 0.08 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1ckn h LEU 312 Cb 0.12 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1ckn h LEU 312 CO -0.01 0.21 0.54 0.78 -0.34 0.00 0.00 178.44 179.62 1ckn h ASN 313 N 0.44 0.95 -0.14 1.25 -0.26 -0.87 0.27 115.58 117.22 1ckn h ASN 313 Ca 0.21 -0.03 -0.07 0.00 -0.56 0.00 0.00 56.30 55.85 1ckn h ASN 313 Cb 0.14 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 37.16 1ckn h ASN 313 CO -0.16 0.69 -0.18 0.40 -1.06 0.00 0.00 177.43 177.12 1ckn h ILE 314 N 1.12 1.36 -0.15 2.81 2.04 0.20 -2.01 117.51 122.88 1ckn h ILE 314 Ca 0.30 -1.39 0.02 0.00 1.00 0.00 0.00 64.86 64.79 1ckn h ILE 314 Cb -0.12 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1ckn h ILE 314 CO -0.06 0.41 0.02 -0.08 0.00 0.00 0.00 178.15 178.43 1ckn h GLU 315 N -0.03 0.08 0.00 2.37 4.81 -0.89 -2.52 114.58 118.40 1ckn h GLU 315 Ca 0.02 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1ckn h GLU 315 Cb 0.74 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1ckn h GLU 315 CO 0.04 0.05 -0.17 0.93 -0.73 0.00 0.00 179.01 179.13 1ckn h GLU 316 N 0.08 0.00 -7.00 1.92 5.08 -0.39 -3.47 114.58 110.80 1ckn h GLU 316 Ca 0.07 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.82 1ckn h GLU 316 Cb 0.06 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.19 1ckn h GLU 316 CO -0.09 0.17 -0.99 -1.71 -1.00 0.00 0.00 179.01 175.39 1ckn n ASN 317 N -4.05 -1.34 -4.77 1.42 5.15 -0.76 -4.93 115.26 105.98 1ckn n ASN 317 Ca -0.02 -1.28 -0.37 0.00 -0.60 0.00 0.00 54.58 52.30 1ckn n ASN 317 Cb 0.25 -1.68 -0.01 0.00 -0.53 0.00 0.00 39.78 37.81 1ckn n ASN 317 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1ckn s ILE 318 N -3.99 3.13 0.36 -1.44 1.01 -1.26 -5.05 121.20 113.95 1ckn s ILE 318 Ca 0.22 0.89 0.04 0.00 0.00 0.00 0.00 60.65 61.79 1ckn s ILE 318 Cb -0.12 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 1ckn s ILE 318 CO 0.98 0.02 0.07 0.42 0.00 0.00 0.00 174.94 176.44 1ckn s THR 319 N -1.50 1.07 0.18 2.92 -4.23 -1.26 -4.30 115.64 108.52 1ckn s THR 319 Ca 0.61 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1ckn s THR 319 Cb -0.29 -2.66 -0.11 0.00 1.34 0.00 0.00 72.50 70.77 1ckn s THR 319 CO 0.36 0.00 1.42 0.40 -0.54 0.00 0.00 174.62 176.27 1ckn h ILE 320 N 1.98 1.40 -0.03 2.99 2.04 -1.95 -2.12 117.51 121.82 1ckn h ILE 320 Ca -0.40 -2.25 -0.25 0.00 1.00 0.00 0.00 64.86 62.96 1ckn h ILE 320 Cb 1.26 2.20 0.02 0.00 -0.74 0.00 0.00 36.82 39.55 1ckn h ILE 320 CO 0.67 0.67 -0.98 0.44 0.00 0.00 0.00 178.15 178.95 1ckn h ASP 321 N 0.22 0.88 -0.07 1.72 5.19 -1.98 0.28 116.42 122.67 1ckn h ASP 321 Ca -0.04 -0.68 0.02 0.00 -0.62 0.00 0.00 57.03 55.71 1ckn h ASP 321 Cb 1.35 -0.27 -0.04 0.00 0.18 0.00 0.00 39.33 40.55 1ckn h ASP 321 CO 0.13 1.48 -0.33 -0.33 -3.12 0.00 0.00 179.24 177.07 1ckn h GLU 322 N 0.41 -0.35 -0.60 3.56 5.08 -1.97 -0.29 114.58 120.42 1ckn h GLU 322 Ca -0.11 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1ckn h GLU 322 Cb 1.62 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.90 1ckn h GLU 322 CO 0.19 -0.23 0.32 1.25 -1.00 0.00 0.00 179.01 179.54 1ckn h LEU 323 N -0.36 0.47 -1.24 1.33 7.12 -1.25 0.47 115.31 121.84 1ckn h LEU 323 Ca 0.02 0.03 -0.05 0.00 0.13 0.00 0.00 57.88 58.01 1ckn h LEU 323 Cb 0.41 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.48 1ckn h LEU 323 CO -0.26 0.31 -0.24 -0.07 -0.13 0.00 0.00 178.44 178.05 1ckn h LEU 324 N 0.60 0.00 -1.01 2.25 3.38 -0.34 -2.37 115.31 117.82 1ckn h LEU 324 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1ckn h LEU 324 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1ckn h LEU 324 CO -0.18 0.24 0.00 0.44 0.09 0.00 0.00 178.44 179.03 1ckn h ASP 325 N 0.00 0.00 0.00 -0.43 3.32 0.93 -3.28 116.42 116.97 1ckn h ASP 325 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ckn h ASP 325 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1ckn h ASP 325 CO 0.03 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.73 1ckn n LEU 326 N -2.99 0.00 0.00 1.55 4.77 -0.89 -5.08 117.00 114.35 1ckn n LEU 326 Ca 0.02 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1ckn n LEU 326 Cb 0.35 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1ckn n LEU 326 CO 0.28 -0.01 0.00 0.49 -1.33 0.00 0.00 177.39 176.82