#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1skf s THR 2 N 0.00 5.08 0.22 3.34 2.01 -1.26 -5.06 115.64 119.98 1skf s THR 2 Ca 0.00 -0.44 -0.31 0.00 0.31 0.00 0.00 61.69 61.24 1skf s THR 2 Cb 0.00 -3.43 -0.12 0.00 0.01 0.00 0.00 72.50 68.97 1skf s THR 2 CO 0.00 0.20 1.68 -0.75 -0.69 0.00 0.00 174.62 175.07 1skf s LYS 3 N -2.25 4.13 0.38 4.92 2.20 -1.26 -4.97 119.74 122.90 1skf s LYS 3 Ca 0.30 2.59 -0.20 0.00 -0.36 0.00 0.00 55.97 58.30 1skf s LYS 3 Cb -0.13 -3.07 -0.10 0.00 -1.51 0.00 0.00 37.83 33.02 1skf s LYS 3 CO 0.23 -0.72 0.88 -1.25 -0.36 0.00 0.00 175.35 174.13 1skf s PRO 4 N 0.79 4.20 -0.12 4.03 0.04 -1.26 -5.06 135.00 137.62 1skf s PRO 4 Ca 0.72 1.00 -0.13 0.00 0.04 0.00 0.00 61.00 62.63 1skf s PRO 4 Cb -0.49 -2.33 -0.05 0.00 0.04 0.00 0.00 34.50 31.67 1skf s PRO 4 CO 0.36 0.07 0.30 0.99 0.04 0.00 0.00 177.00 178.75 1skf s THR 5 N -2.05 5.27 0.25 1.26 2.01 -1.26 -5.04 115.64 116.08 1skf s THR 5 Ca 0.58 0.57 0.08 0.00 0.31 0.00 0.00 61.69 63.23 1skf s THR 5 Cb -0.10 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 1skf s THR 5 CO 0.15 0.47 -0.12 0.27 -0.69 0.00 0.00 174.62 174.70 1skf s ILE 6 N -0.11 1.83 -0.11 1.82 -4.36 -1.26 -5.01 121.20 114.00 1skf s ILE 6 Ca 0.18 -2.21 0.15 0.00 -0.26 0.00 0.00 60.65 58.51 1skf s ILE 6 Cb -0.14 -2.25 -0.07 0.00 1.25 0.00 0.00 42.46 41.26 1skf s ILE 6 CO 0.06 -0.45 1.12 0.00 0.24 0.00 0.00 174.94 175.91 1skf h ALA 7 N 2.40 0.63 -2.98 2.27 0.00 -1.96 -3.46 119.26 116.16 1skf h ALA 7 Ca -0.39 -0.72 -0.54 0.00 0.00 0.00 0.00 54.91 53.26 1skf h ALA 7 Cb 1.23 0.10 0.12 0.00 0.00 0.00 0.00 17.79 19.24 1skf h ALA 7 CO 0.64 0.86 0.63 0.00 0.00 0.00 0.00 179.25 181.38 1skf s ALA 8 N -2.90 3.01 -0.50 0.00 0.00 -1.26 -4.65 121.76 115.45 1skf s ALA 8 Ca 0.00 1.34 0.24 0.00 0.00 0.00 0.00 51.96 53.54 1skf s ALA 8 Cb 0.08 -3.56 0.38 0.00 0.00 0.00 0.00 23.12 20.03 1skf s ALA 8 CO 0.79 -1.22 1.49 -0.39 0.00 0.00 0.00 175.76 176.42 1skf h VAL 9 N 1.85 0.00 -3.99 0.00 -1.51 -1.40 -3.45 116.25 107.74 1skf h VAL 9 Ca -0.51 -0.79 -0.40 0.00 -1.23 0.00 0.00 66.70 63.77 1skf h VAL 9 Cb 1.28 1.62 -0.29 0.00 -2.13 0.00 0.00 31.29 31.77 1skf h VAL 9 CO 0.59 0.00 -0.78 -0.83 -1.23 0.00 0.00 177.57 175.32 1skf s GLY 10 N -4.00 0.46 -0.05 5.19 0.00 -0.97 -4.63 107.32 103.31 1skf s GLY 10 Ca 0.06 -0.38 -0.29 0.00 0.00 0.00 0.00 44.72 44.12 1skf s GLY 10 CO 0.69 -0.27 0.63 -0.32 0.00 0.00 0.00 173.10 173.82 1skf s GLY 11 N -0.13 -0.52 -0.07 0.20 0.00 -0.25 -0.72 107.32 105.83 1skf s GLY 11 Ca 0.02 1.21 -0.31 0.00 0.00 0.00 0.00 44.72 45.64 1skf s GLY 11 CO -0.00 0.87 0.73 -0.47 0.00 0.00 0.00 173.10 174.22 1skf s TYR 12 N -1.16 -0.62 -0.18 1.90 5.04 -0.39 -1.75 117.35 120.19 1skf s TYR 12 Ca -0.11 1.05 -0.22 0.00 -2.44 0.00 0.00 57.07 55.35 1skf s TYR 12 Cb -0.01 0.42 0.06 0.00 0.35 0.00 0.00 41.96 42.78 1skf s TYR 12 CO 0.09 -0.57 0.59 0.00 -1.34 0.00 0.00 175.55 174.32 1skf s ALA 13 N -1.19 -1.47 0.19 3.97 0.00 -0.99 -0.79 121.76 121.49 1skf s ALA 13 Ca -0.10 1.51 -0.06 0.00 0.00 0.00 0.00 51.96 53.31 1skf s ALA 13 Cb -0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 1skf s ALA 13 CO 0.09 -0.29 0.25 0.00 0.00 0.00 0.00 175.76 175.80 1skf s MET 14 N -0.07 1.23 -0.30 0.00 0.23 -0.12 -0.65 119.30 119.62 1skf s MET 14 Ca -0.03 -1.37 -0.28 0.00 -1.03 0.00 0.00 55.69 52.98 1skf s MET 14 Cb -0.04 0.35 0.01 0.00 -1.53 0.00 0.00 34.83 33.62 1skf s MET 14 CO 0.03 -0.44 1.00 1.21 -2.03 0.00 0.00 175.02 174.78 1skf s ASN 15 N -3.05 6.90 0.28 -1.18 3.84 -0.10 -1.70 114.94 119.92 1skf s ASN 15 Ca 0.26 1.02 -0.03 0.00 0.21 0.00 0.00 52.86 54.32 1skf s ASN 15 Cb 0.04 -2.51 0.38 0.00 -0.55 0.00 0.00 41.25 38.62 1skf s ASN 15 CO 0.06 -0.78 1.92 -1.13 -2.79 0.00 0.00 177.10 174.38 1skf h ASN 16 N 7.98 0.96 0.08 -4.21 -0.00 -1.41 0.31 115.58 119.31 1skf h ASN 16 Ca -0.21 -0.06 -0.21 0.00 -0.00 0.00 0.00 56.30 55.82 1skf h ASN 16 Cb 1.07 -0.24 0.00 0.00 -0.00 0.00 0.00 38.32 39.15 1skf h ASN 16 CO 0.99 0.75 -0.78 1.23 -0.00 0.00 0.00 177.43 179.62 1skf h GLY 17 N 1.13 0.64 0.00 1.57 0.00 -1.91 -3.36 103.07 101.13 1skf h GLY 17 Ca 0.29 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1skf h GLY 17 CO -0.05 0.82 -1.68 -1.30 0.00 0.00 0.00 176.54 174.33 1skf n THR 18 N -3.87 0.00 -0.77 4.70 -2.24 -1.18 -5.00 114.28 105.91 1skf n THR 18 Ca -0.06 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1skf n THR 18 Cb 0.74 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1skf n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1skf n GLY 19 N 1.51 0.89 3.71 3.38 0.00 0.11 -5.01 105.19 109.77 1skf n GLY 19 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1skf n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1skf s THR 20 N -3.54 3.55 0.25 2.61 2.01 -1.25 -4.71 115.64 114.57 1skf s THR 20 Ca 0.00 1.08 -0.30 0.00 0.31 0.00 0.00 61.69 62.79 1skf s THR 20 Cb 0.00 -3.70 -0.10 0.00 0.01 0.00 0.00 72.50 68.72 1skf s THR 20 CO 0.00 0.07 1.36 -0.89 -0.69 0.00 0.00 174.62 174.47 1skf s THR 21 N 1.35 2.86 -0.05 -0.82 2.01 -1.26 -0.93 115.64 118.80 1skf s THR 21 Ca 0.63 0.75 0.02 0.00 0.31 0.00 0.00 61.69 63.40 1skf s THR 21 Cb -0.34 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 1skf s THR 21 CO 0.29 0.13 -0.01 0.18 -0.69 0.00 0.00 174.62 174.52 1skf n LEU 22 N 2.07 1.29 -3.85 4.42 4.32 0.18 -4.90 117.00 120.53 1skf n LEU 22 Ca 0.05 -0.01 -0.12 0.00 -0.02 0.00 0.00 56.01 55.91 1skf n LEU 22 Cb 0.41 -0.02 -0.10 0.00 -1.62 0.00 0.00 43.42 42.09 1skf n LEU 22 CO 0.59 0.32 -0.15 -0.47 -1.22 0.00 0.00 177.39 176.47 1skf s TYR 23 N -2.11 -0.03 -0.13 -1.77 5.04 -0.85 -4.91 117.35 112.58 1skf s TYR 23 Ca -0.05 0.04 -0.11 0.00 -2.44 0.00 0.00 57.07 54.52 1skf s TYR 23 Cb 0.02 -0.01 0.04 0.00 0.35 0.00 0.00 41.96 42.35 1skf s TYR 23 CO 0.16 -0.26 0.34 -0.08 -1.34 0.00 0.00 175.55 174.37 1skf s THR 24 N -1.08 -0.00 -0.29 4.34 -1.32 -1.26 -2.33 115.64 113.69 1skf s THR 24 Ca -0.12 0.02 0.03 0.00 -1.21 0.00 0.00 61.69 60.41 1skf s THR 24 Cb -0.06 -0.48 0.20 0.00 -1.51 0.00 0.00 72.50 70.65 1skf s THR 24 CO 0.02 0.01 0.63 -0.75 -2.21 0.00 0.00 174.62 172.31 1skf s LYS 25 N 0.35 0.53 -1.54 7.08 2.20 -0.72 -4.90 119.74 122.73 1skf s LYS 25 Ca -0.01 0.59 -0.10 0.00 -0.36 0.00 0.00 55.97 56.09 1skf s LYS 25 Cb -0.03 0.29 0.08 0.00 -1.51 0.00 0.00 37.83 36.65 1skf s LYS 25 CO -0.01 -0.91 0.71 0.00 -0.36 0.00 0.00 175.35 174.78 1skf n ALA 26 N 5.40 -1.56 0.25 3.13 0.00 -1.26 -1.09 120.51 125.38 1skf n ALA 26 Ca 0.04 -0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.58 1skf n ALA 26 Cb 0.54 -2.99 0.84 0.00 0.00 0.00 0.00 19.45 17.84 1skf n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1skf h ALA 27 N 0.90 1.73 -0.07 0.00 0.00 -1.91 -2.82 119.26 117.10 1skf h ALA 27 Ca -0.60 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 1skf h ALA 27 Cb 1.38 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1skf h ALA 27 CO 0.69 -0.14 -0.29 -0.25 0.00 0.00 0.00 179.25 179.26 1skf n ASP 28 N -3.93 2.09 -4.62 0.00 8.00 -1.26 -1.93 116.55 114.90 1skf n ASP 28 Ca -0.01 -3.64 -0.38 0.00 0.71 0.00 0.00 54.79 51.47 1skf n ASP 28 Cb 0.20 -0.52 -0.10 0.00 -0.02 0.00 0.00 41.12 40.68 1skf n ASP 28 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1skf s THR 29 N -3.13 5.28 0.30 -3.53 2.01 -1.06 -5.00 115.64 110.50 1skf s THR 29 Ca 0.38 0.32 -0.29 0.00 0.31 0.00 0.00 61.69 62.41 1skf s THR 29 Cb 0.35 -3.58 -0.11 0.00 0.01 0.00 0.00 72.50 69.17 1skf s THR 29 CO -0.03 0.25 1.45 -0.13 -0.69 0.00 0.00 174.62 175.47 1skf s ARG 30 N 1.64 4.22 0.25 4.92 0.52 -1.26 -4.59 118.95 124.66 1skf s ARG 30 Ca 0.10 2.40 -0.06 0.00 -0.52 0.00 0.00 55.73 57.65 1skf s ARG 30 Cb -0.15 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.25 1skf s ARG 30 CO 0.09 -0.44 0.35 1.03 0.02 0.00 0.00 175.30 176.35 1skf s ARG 31 N -1.06 1.50 0.32 3.54 0.52 -0.04 -4.95 118.95 118.78 1skf s ARG 31 Ca 0.57 -1.51 -0.27 0.00 -0.52 0.00 0.00 55.73 54.00 1skf s ARG 31 Cb -0.44 0.39 -0.09 0.00 0.52 0.00 0.00 34.95 35.33 1skf s ARG 31 CO 0.50 -0.58 1.04 -1.12 0.02 0.00 0.00 175.30 175.16 1skf s SER 32 N -3.12 7.14 -0.08 0.23 0.01 -1.26 -1.80 113.70 114.82 1skf s SER 32 Ca 0.30 2.08 0.19 0.00 1.31 0.00 0.00 55.95 59.84 1skf s SER 32 Cb 0.02 -2.60 -0.26 0.00 0.21 0.00 0.00 66.02 63.39 1skf s SER 32 CO 0.13 -0.22 0.38 0.35 0.41 0.00 0.00 173.24 174.29 1skf n THR 33 N 0.68 0.78 -4.84 1.44 -2.24 -1.22 -4.48 114.28 104.41 1skf n THR 33 Ca 0.01 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1skf n THR 33 Cb 0.48 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1skf n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1skf n GLY 34 N 1.48 2.67 0.00 3.38 0.00 -1.26 -2.56 105.19 108.90 1skf n GLY 34 Ca -0.17 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.52 1skf n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1skf n SER 35 N 1.42 0.00 0.05 1.61 3.41 -0.93 -2.81 113.62 116.37 1skf n SER 35 Ca 0.00 -1.01 0.10 0.00 -0.26 0.00 0.00 58.87 57.70 1skf n SER 35 Cb 0.00 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.37 1skf n SER 35 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1skf n THR 36 N -0.89 0.76 0.28 6.66 -2.24 -1.06 -2.26 114.28 115.54 1skf n THR 36 Ca 0.16 0.15 0.14 0.00 -2.27 0.00 0.00 64.05 62.23 1skf n THR 36 Cb 0.07 -0.93 0.84 0.00 -2.10 0.00 0.00 70.33 68.20 1skf n THR 36 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1skf h THR 37 N 0.00 0.58 0.00 4.28 2.02 -1.72 -2.41 112.91 115.66 1skf h THR 37 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1skf h THR 37 Cb 0.37 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1skf h THR 37 CO 0.00 0.04 0.00 0.11 0.37 0.00 0.00 175.52 176.04 1skf h LYS 38 N 0.00 0.00 -0.42 6.66 1.57 -1.66 -1.97 116.57 120.75 1skf h LYS 38 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1skf h LYS 38 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1skf h LYS 38 CO 0.01 0.00 -0.16 0.82 -0.57 0.00 0.00 179.45 179.55 1skf h ILE 39 N 0.00 1.26 -0.08 1.86 2.04 -1.67 -2.57 117.51 118.36 1skf h ILE 39 Ca 0.00 -1.25 -0.20 0.00 1.00 0.00 0.00 64.86 64.42 1skf h ILE 39 Cb 0.08 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1skf h ILE 39 CO 0.00 0.42 -0.77 -0.03 0.00 0.00 0.00 178.15 177.77 1skf h MET 40 N 0.70 0.47 -0.39 2.37 4.05 -1.57 -2.15 114.93 118.41 1skf h MET 40 Ca 0.11 -0.40 0.02 0.00 -0.28 0.00 0.00 59.70 59.15 1skf h MET 40 Cb 0.66 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.52 1skf h MET 40 CO 0.05 1.04 0.21 1.15 0.23 0.00 0.00 176.91 179.58 1skf h THR 41 N 0.31 1.00 -0.55 -0.77 2.02 -1.51 0.13 112.91 113.55 1skf h THR 41 Ca -0.04 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1skf h THR 41 Cb 1.37 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 1skf h THR 41 CO 0.14 0.08 0.23 0.00 0.37 0.00 0.00 175.52 176.34 1skf h ALA 42 N 1.19 0.71 -0.52 6.16 0.00 -1.44 -2.07 119.26 123.29 1skf h ALA 42 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1skf h ALA 42 Cb 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1skf h ALA 42 CO -0.10 0.31 0.33 -0.22 0.00 0.00 0.00 179.25 179.58 1skf h LYS 43 N 0.75 0.70 -0.35 0.00 3.64 -0.67 -1.04 116.57 119.60 1skf h LYS 43 Ca 0.19 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1skf h LYS 43 Cb 0.18 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1skf h LYS 43 CO -0.02 0.50 0.12 0.28 -2.27 0.00 0.00 179.45 178.05 1skf h VAL 44 N 0.71 1.21 0.14 2.00 2.07 -0.64 -2.62 116.25 119.12 1skf h VAL 44 Ca 0.19 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1skf h VAL 44 Cb -0.04 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1skf h VAL 44 CO -0.04 0.23 -0.17 0.58 0.02 0.00 0.00 177.57 178.19 1skf h VAL 45 N 0.42 0.61 0.00 2.57 2.07 -1.16 -2.18 116.25 118.59 1skf h VAL 45 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1skf h VAL 45 Cb 0.24 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1skf h VAL 45 CO -0.00 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.52 1skf h LEU 46 N -0.36 0.00 -1.81 2.57 3.38 -1.14 -1.31 115.31 116.65 1skf h LEU 46 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1skf h LEU 46 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1skf h LEU 46 CO -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.45 1skf n ALA 47 N -1.80 2.51 -1.77 1.53 0.00 -0.84 -4.96 120.51 115.17 1skf n ALA 47 Ca -0.01 -0.66 -0.40 0.00 0.00 0.00 0.00 53.44 52.37 1skf n ALA 47 Cb 0.08 -0.84 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 1skf n ALA 47 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1skf s GLN 48 N -2.02 4.18 0.31 0.00 -1.52 -0.50 -4.91 119.66 115.21 1skf s GLN 48 Ca 0.29 2.16 0.16 0.00 -1.95 0.00 0.00 55.36 56.01 1skf s GLN 48 Cb 0.20 -2.92 0.38 0.00 -0.22 0.00 0.00 33.01 30.45 1skf s GLN 48 CO 0.31 -0.31 1.59 0.66 -0.25 0.00 0.00 175.29 177.29 1skf h SER 49 N 3.05 0.00 -0.81 5.90 4.64 -1.93 -3.08 113.55 121.32 1skf h SER 49 Ca -0.49 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.36 1skf h SER 49 Cb 1.23 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.08 1skf h SER 49 CO 0.64 0.50 0.59 -0.46 -0.87 0.00 0.00 176.83 177.24 1skf n ASN 50 N -3.45 4.83 -4.71 4.97 6.94 -1.26 -4.97 115.26 117.61 1skf n ASN 50 Ca 0.00 -3.38 -0.41 0.00 -0.02 0.00 0.00 54.58 50.78 1skf n ASN 50 Cb 0.63 -0.85 -0.04 0.00 -2.36 0.00 0.00 39.78 37.16 1skf n ASN 50 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1skf s LEU 51 N -2.81 4.32 -0.25 -4.53 2.96 -1.17 -5.02 118.68 112.18 1skf s LEU 51 Ca 0.48 1.37 -0.04 0.00 -0.22 0.00 0.00 54.13 55.72 1skf s LEU 51 Cb 0.40 -3.29 0.09 0.00 0.50 0.00 0.00 46.19 43.88 1skf s LEU 51 CO 0.06 -0.21 0.11 0.21 -1.32 0.00 0.00 176.35 175.20 1skf s ASN 52 N 0.92 3.13 0.58 3.68 2.47 -1.26 -5.02 114.94 119.44 1skf s ASN 52 Ca 0.43 -1.05 0.28 0.00 0.42 0.00 0.00 52.86 52.94 1skf s ASN 52 Cb -0.19 -0.34 1.73 0.00 -1.45 0.00 0.00 41.25 41.01 1skf s ASN 52 CO 0.21 -0.40 2.21 -0.07 -3.72 0.00 0.00 177.10 175.33 1skf h LEU 53 N 8.40 0.00 -1.29 3.21 4.07 -1.95 -1.65 115.31 126.10 1skf h LEU 53 Ca -0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.78 1skf h LEU 53 Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 1skf h LEU 53 CO 0.39 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 178.22 1skf n ASP 54 N -3.91 1.96 -4.77 -0.43 10.43 -1.26 -1.27 116.55 117.31 1skf n ASP 54 Ca -0.02 -1.70 -0.39 0.00 2.57 0.00 0.00 54.79 55.25 1skf n ASP 54 Cb 0.14 -0.07 -0.01 0.00 1.84 0.00 0.00 41.12 43.02 1skf n ASP 54 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1skf s ALA 55 N -1.86 3.23 -0.06 2.24 0.00 -0.62 -4.79 121.76 119.91 1skf s ALA 55 Ca 0.35 1.14 -0.04 0.00 0.00 0.00 0.00 51.96 53.41 1skf s ALA 55 Cb 0.20 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1skf s ALA 55 CO 0.30 -0.70 0.11 0.15 0.00 0.00 0.00 175.76 175.61 1skf s LYS 56 N -2.22 3.27 -0.06 0.00 1.02 -1.26 -1.15 119.74 119.33 1skf s LYS 56 Ca 0.56 -0.31 0.05 0.00 0.02 0.00 0.00 55.97 56.29 1skf s LYS 56 Cb -0.36 -3.02 -0.00 0.00 -0.52 0.00 0.00 37.83 33.93 1skf s LYS 56 CO 0.45 0.71 -0.21 0.08 -0.92 0.00 0.00 175.35 175.47 1skf s VAL 57 N -1.11 1.73 -0.10 3.17 1.01 0.14 -4.90 120.40 120.33 1skf s VAL 57 Ca 0.19 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 61.06 1skf s VAL 57 Cb -0.12 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1skf s VAL 57 CO 0.09 0.49 0.79 -0.89 0.00 0.00 0.00 175.10 175.58 1skf s THR 58 N 0.09 4.96 -0.15 3.92 2.01 -1.26 -1.01 115.64 124.20 1skf s THR 58 Ca -0.08 1.59 -0.29 0.00 0.31 0.00 0.00 61.69 63.22 1skf s THR 58 Cb -0.14 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 1skf s THR 58 CO 0.04 0.14 1.40 -0.63 -0.69 0.00 0.00 174.62 174.89 1skf s ILE 59 N 1.41 4.03 0.39 1.82 -1.09 -0.19 -4.93 121.20 122.64 1skf s ILE 59 Ca 0.39 1.23 -0.05 0.00 -2.23 0.00 0.00 60.65 60.00 1skf s ILE 59 Cb -0.18 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 1skf s ILE 59 CO 0.17 -0.16 0.68 -1.10 -1.23 0.00 0.00 174.94 173.30 1skf s GLN 60 N 3.80 3.59 0.50 2.79 -1.52 -1.26 -1.41 119.66 126.15 1skf s GLN 60 Ca 0.61 0.08 0.15 0.00 -1.95 0.00 0.00 55.36 54.26 1skf s GLN 60 Cb -0.25 -2.51 1.19 0.00 -0.22 0.00 0.00 33.01 31.23 1skf s GLN 60 CO 0.21 0.00 2.11 -0.22 -0.25 0.00 0.00 175.29 177.14 1skf h LYS 61 N 0.87 0.02 -0.57 2.91 3.64 -1.96 -2.74 116.57 118.74 1skf h LYS 61 Ca -0.48 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 58.96 1skf h LYS 61 Cb 1.20 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 1skf h LYS 61 CO 0.63 0.06 0.28 0.00 -2.27 0.00 0.00 179.45 178.14 1skf h ALA 62 N 1.95 0.74 -0.71 5.00 0.00 -1.99 0.32 119.26 124.57 1skf h ALA 62 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1skf h ALA 62 Cb 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1skf h ALA 62 CO 0.00 -0.09 0.46 1.88 0.00 0.00 0.00 179.25 181.51 1skf h TYR 63 N 0.52 0.90 -0.01 0.00 0.05 -1.84 -1.31 116.97 115.28 1skf h TYR 63 Ca 0.26 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 59.06 1skf h TYR 63 Cb 0.21 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 37.65 1skf h TYR 63 CO -0.11 0.58 0.00 1.03 -1.05 0.00 0.00 178.16 178.61 1skf h SER 64 N 0.96 0.01 0.25 3.88 0.87 -1.40 -3.08 113.55 115.04 1skf h SER 64 Ca 0.26 -0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 1skf h SER 64 Cb -0.09 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1skf h SER 64 CO -0.05 0.25 -0.19 0.44 -0.53 0.00 0.00 176.83 176.74 1skf h ASP 65 N -0.23 0.00 0.45 6.23 3.32 -0.85 -3.11 116.42 122.24 1skf h ASP 65 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1skf h ASP 65 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1skf h ASP 65 CO 0.00 0.19 -0.22 0.22 -1.72 0.00 0.00 179.24 177.71 1skf h TYR 66 N 0.00 -0.57 -0.35 4.55 5.03 -1.15 -1.71 116.97 122.77 1skf h TYR 66 Ca -0.00 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.24 1skf h TYR 66 Cb 0.37 0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.81 1skf h TYR 66 CO 0.00 -0.35 -0.01 -0.39 -1.32 0.00 0.00 178.16 176.08 1skf h VAL 67 N -0.61 1.21 0.36 1.81 -1.51 -1.52 -2.23 116.25 113.76 1skf h VAL 67 Ca -0.06 -0.84 -0.02 0.00 -1.23 0.00 0.00 66.70 64.55 1skf h VAL 67 Cb 0.47 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1skf h VAL 67 CO 0.10 0.29 -0.17 0.58 -1.23 0.00 0.00 177.57 177.13 1skf h VAL 68 N 0.53 0.65 -0.33 7.19 2.07 -1.49 0.63 116.25 125.49 1skf h VAL 68 Ca 0.11 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.56 1skf h VAL 68 Cb 0.36 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1skf h VAL 68 CO 0.01 0.02 0.03 0.00 0.02 0.00 0.00 177.57 177.66 1skf h ALA 69 N 0.06 0.32 -0.39 1.67 0.00 -1.14 -1.86 119.26 117.93 1skf h ALA 69 Ca -0.05 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1skf h ALA 69 Cb 0.42 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1skf h ALA 69 CO 0.08 -0.38 0.00 0.09 0.00 0.00 0.00 179.25 179.05 1skf n ASN 70 N -5.14 2.44 -4.15 0.00 3.02 -0.85 -4.93 115.26 105.64 1skf n ASN 70 Ca 0.01 -1.93 -0.39 0.00 -0.03 0.00 0.00 54.58 52.25 1skf n ASN 70 Cb 0.16 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 1skf n ASN 70 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1skf n ASN 71 N 0.83 -1.81 -4.96 6.41 5.03 0.20 -4.92 115.26 116.04 1skf n ASN 71 Ca 0.16 -1.25 -0.22 0.00 0.87 0.00 0.00 54.58 54.14 1skf n ASN 71 Cb 0.41 -1.52 0.02 0.00 -1.02 0.00 0.00 39.78 37.68 1skf n ASN 71 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1skf s ALA 72 N -3.91 3.79 0.49 5.41 0.00 -0.14 -5.02 121.76 122.38 1skf s ALA 72 Ca 0.27 -1.14 -0.21 0.00 0.00 0.00 0.00 51.96 50.87 1skf s ALA 72 Cb -0.15 -2.14 -0.07 0.00 0.00 0.00 0.00 23.12 20.76 1skf s ALA 72 CO 0.95 -0.54 1.13 0.45 0.00 0.00 0.00 175.76 177.74 1skf s SER 73 N -4.30 6.04 0.18 0.00 0.15 -1.26 -4.87 113.70 109.64 1skf s SER 73 Ca 0.52 2.19 -0.04 0.00 0.70 0.00 0.00 55.95 59.32 1skf s SER 73 Cb -0.10 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.59 1skf s SER 73 CO 0.38 -1.00 0.18 0.00 1.20 0.00 0.00 173.24 174.01 1skf s GLN 74 N -2.99 1.17 0.00 5.44 -2.07 -1.25 -1.63 119.66 118.33 1skf s GLN 74 Ca 0.67 -1.45 0.21 0.00 -1.82 0.00 0.00 55.36 52.98 1skf s GLN 74 Cb -0.25 0.31 0.25 0.00 -1.09 0.00 0.00 33.01 32.23 1skf s GLN 74 CO 0.29 -0.40 1.23 0.00 -1.32 0.00 0.00 175.29 175.10 1skf n ALA 75 N -0.23 2.44 -3.08 2.60 0.00 -1.26 -4.62 120.51 116.36 1skf n ALA 75 Ca -0.02 -0.79 -0.19 0.00 0.00 0.00 0.00 53.44 52.44 1skf n ALA 75 Cb 0.64 -0.74 0.04 0.00 0.00 0.00 0.00 19.45 19.40 1skf n ALA 75 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1skf n HIS 76 N 1.23 -1.92 -2.13 0.00 -0.00 -1.26 -4.97 115.22 106.17 1skf n HIS 76 Ca 0.14 0.59 -0.41 0.00 -0.00 0.00 0.00 57.72 58.04 1skf n HIS 76 Cb 0.54 -4.09 -0.02 0.00 -0.00 0.00 0.00 29.99 26.42 1skf n HIS 76 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1skf s LEU 77 N -5.86 4.43 -0.23 2.41 1.43 -1.26 -4.99 118.68 114.61 1skf s LEU 77 Ca 0.34 2.64 -0.13 0.00 -1.03 0.00 0.00 54.13 55.95 1skf s LEU 77 Cb -0.15 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 1skf s LEU 77 CO 0.42 -0.52 0.29 -0.63 0.23 0.00 0.00 176.35 176.13 1skf s ILE 78 N -0.97 5.27 0.27 -0.59 1.01 -1.26 -4.91 121.20 120.02 1skf s ILE 78 Ca 0.50 0.45 -0.30 0.00 0.00 0.00 0.00 60.65 61.29 1skf s ILE 78 Cb -0.39 -3.62 -0.11 0.00 0.01 0.00 0.00 42.46 38.35 1skf s ILE 78 CO 0.51 0.28 1.55 0.54 0.00 0.00 0.00 174.94 177.81 1skf s VAL 79 N 1.34 2.28 0.00 2.92 0.11 -1.26 -1.64 120.40 124.14 1skf s VAL 79 Ca 0.13 0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1skf s VAL 79 Cb -0.14 -3.15 0.00 0.00 -1.53 0.00 0.00 36.38 31.56 1skf s VAL 79 CO 0.07 0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.49 1skf n GLY 80 N 2.33 2.14 3.76 6.54 0.00 -0.50 -4.96 105.19 114.50 1skf n GLY 80 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1skf n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1skf s ASP 81 N 0.08 5.00 -0.25 1.61 -0.00 -0.65 -4.00 116.67 118.45 1skf s ASP 81 Ca 0.00 2.04 -0.05 0.00 -0.00 0.00 0.00 52.55 54.54 1skf s ASP 81 Cb 0.00 -2.55 -0.00 0.00 -0.00 0.00 0.00 42.92 40.36 1skf s ASP 81 CO 0.00 -1.71 0.01 -0.54 -0.00 0.00 0.00 175.17 172.93 1skf s LYS 82 N -4.08 3.26 -0.04 8.23 3.01 0.21 -1.02 119.74 129.32 1skf s LYS 82 Ca 0.68 -0.72 0.06 0.00 -1.01 0.00 0.00 55.97 54.98 1skf s LYS 82 Cb -0.21 -3.16 -0.01 0.00 -1.01 0.00 0.00 37.83 33.43 1skf s LYS 82 CO 0.42 -0.30 -0.24 0.08 0.51 0.00 0.00 175.35 175.83 1skf s VAL 83 N 1.49 1.92 0.70 3.17 1.01 -0.18 -2.57 120.40 125.95 1skf s VAL 83 Ca 0.04 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 1skf s VAL 83 Cb -0.16 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1skf s VAL 83 CO -0.01 0.54 1.07 0.42 0.00 0.00 0.00 175.10 177.12 1skf s THR 84 N -0.29 3.84 0.34 3.92 -4.23 -1.26 0.24 115.64 118.19 1skf s THR 84 Ca 0.01 0.60 0.03 0.00 -1.18 0.00 0.00 61.69 61.15 1skf s THR 84 Cb -0.12 -3.46 0.20 0.00 1.34 0.00 0.00 72.50 70.47 1skf s THR 84 CO 0.02 -0.78 1.93 0.58 -0.54 0.00 0.00 174.62 175.82 1skf h VAL 85 N -0.70 1.18 -0.56 2.29 2.07 -0.98 -1.79 116.25 117.77 1skf h VAL 85 Ca -0.45 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 1skf h VAL 85 Cb 1.23 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1skf h VAL 85 CO 0.60 0.22 0.14 -0.09 0.02 0.00 0.00 177.57 178.47 1skf h ARG 86 N 0.68 0.89 -0.22 1.57 2.43 -1.47 -2.30 114.38 115.95 1skf h ARG 86 Ca 0.16 -0.21 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 1skf h ARG 86 Cb 0.15 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1skf h ARG 86 CO -0.02 0.83 -0.27 1.96 -1.51 0.00 0.00 179.97 180.96 1skf h GLN 87 N 0.79 0.42 -0.20 0.20 4.20 -1.72 -2.66 115.11 116.14 1skf h GLN 87 Ca 0.18 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 1skf h GLN 87 Cb 0.33 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1skf h GLN 87 CO 0.00 0.66 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.57 1skf h LEU 88 N 0.37 0.33 -0.75 1.46 4.07 -1.11 -0.81 115.31 118.87 1skf h LEU 88 Ca 0.05 -0.09 -0.13 0.00 0.08 0.00 0.00 57.88 57.80 1skf h LEU 88 Cb 0.67 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 1skf h LEU 88 CO 0.05 0.53 -0.43 -0.07 -1.08 0.00 0.00 178.44 177.44 1skf h LEU 89 N 0.31 0.45 -0.27 1.67 3.38 -1.07 0.23 115.31 120.02 1skf h LEU 89 Ca 0.06 -0.20 -0.20 0.00 0.09 0.00 0.00 57.88 57.62 1skf h LEU 89 Cb 0.50 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1skf h LEU 89 CO 0.03 0.83 -0.73 1.88 0.09 0.00 0.00 178.44 180.54 1skf h TYR 90 N 0.35 0.90 -0.09 1.13 -1.99 -1.30 -2.37 116.97 113.61 1skf h TYR 90 Ca 0.03 -0.38 -0.07 0.00 2.00 0.00 0.00 58.73 60.30 1skf h TYR 90 Cb 0.90 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.48 1skf h TYR 90 CO 0.03 1.19 -0.26 0.78 -0.00 0.00 0.00 178.16 179.89 1skf h GLY 91 N 0.82 0.17 0.30 3.88 0.00 -0.82 -1.67 103.07 105.75 1skf h GLY 91 Ca -0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 1skf h GLY 91 CO 0.14 0.11 -0.00 -2.00 0.00 0.00 0.00 176.54 174.79 1skf h LEU 92 N 0.14 -0.01 0.06 3.11 5.85 -0.88 -0.57 115.31 123.01 1skf h LEU 92 Ca 0.02 -0.68 -0.26 0.00 0.84 0.00 0.00 57.88 57.81 1skf h LEU 92 Cb 0.55 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1skf h LEU 92 CO 0.04 0.68 -1.24 0.24 -0.34 0.00 0.00 178.44 177.83 1skf h MET 93 N -0.71 0.13 0.02 1.25 2.86 -1.40 -2.84 114.93 114.24 1skf h MET 93 Ca -0.00 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1skf h MET 93 Cb 0.69 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.43 1skf h MET 93 CO 0.00 1.05 -0.01 -0.07 1.06 0.00 0.00 176.91 178.94 1skf h LEU 94 N 0.04 -0.02 -0.29 1.22 4.07 -1.50 -3.38 115.31 115.45 1skf h LEU 94 Ca -0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.84 1skf h LEU 94 Cb 1.90 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.65 1skf h LEU 94 CO 0.16 0.07 -0.14 -0.81 -1.08 0.00 0.00 178.44 176.64 1skf n PRO 95 N -2.52 0.72 -2.09 1.13 -0.04 -1.25 -1.73 135.00 129.23 1skf n PRO 95 Ca -0.00 -0.29 -0.01 0.00 -0.04 0.00 0.00 63.50 63.15 1skf n PRO 95 Cb 0.01 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1skf n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1skf n SER 96 N -0.88 -4.08 -4.54 3.54 2.88 -1.16 -4.64 113.62 104.74 1skf n SER 96 Ca 0.14 -0.07 -0.43 0.00 -1.33 0.00 0.00 58.87 57.18 1skf n SER 96 Cb 0.29 -2.54 -0.04 0.00 -0.75 0.00 0.00 64.21 61.17 1skf n SER 96 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1skf s GLY 97 N -2.51 1.44 0.50 0.46 0.00 -0.22 -3.78 107.32 103.21 1skf s GLY 97 Ca 0.03 -1.08 0.29 0.00 0.00 0.00 0.00 44.72 43.96 1skf s GLY 97 CO 0.28 2.03 1.86 0.00 0.00 0.00 0.00 173.10 177.27 1skf h ASP 99 N 0.00 0.57 -0.39 0.00 -0.00 -1.84 -2.45 116.42 112.31 1skf h ASP 99 Ca -0.00 -0.35 -0.16 0.00 -0.00 0.00 0.00 57.03 56.52 1skf h ASP 99 Cb 0.68 -0.17 -0.01 0.00 -0.00 0.00 0.00 39.33 39.84 1skf h ASP 99 CO 0.01 1.08 -0.38 0.00 -0.00 0.00 0.00 179.24 179.94 1skf h ALA 100 N 0.92 0.57 -0.94 4.15 0.00 -1.78 -2.25 119.26 119.93 1skf h ALA 100 Ca -0.02 -0.46 0.07 0.00 0.00 0.00 0.00 54.91 54.51 1skf h ALA 100 Cb 1.22 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1skf h ALA 100 CO 0.12 0.68 0.60 0.00 0.00 0.00 0.00 179.25 180.64 1skf h ALA 101 N 0.77 1.32 -0.41 0.00 0.00 -1.23 -0.10 119.26 119.61 1skf h ALA 101 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1skf h ALA 101 Cb 0.98 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1skf h ALA 101 CO 0.10 0.34 0.05 -0.92 0.00 0.00 0.00 179.25 178.82 1skf h TYR 102 N 1.06 0.74 -0.77 0.00 5.03 -1.31 -0.96 116.97 120.76 1skf h TYR 102 Ca 0.42 -0.11 -0.03 0.00 2.58 0.00 0.00 58.73 61.59 1skf h TYR 102 Cb 0.21 -0.20 -0.04 0.00 1.55 0.00 0.00 36.73 38.26 1skf h TYR 102 CO -0.02 0.73 0.37 0.00 -1.32 0.00 0.00 178.16 177.92 1skf h ALA 103 N 0.92 1.19 -0.16 1.82 0.00 -0.70 -1.19 119.26 121.13 1skf h ALA 103 Ca 0.12 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1skf h ALA 103 Cb 0.40 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1skf h ALA 103 CO 0.01 0.62 -0.65 -0.07 0.00 0.00 0.00 179.25 179.16 1skf h LEU 104 N 1.10 0.70 -0.30 0.00 3.38 -0.83 -2.08 115.31 117.29 1skf h LEU 104 Ca 0.27 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1skf h LEU 104 Cb 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1skf h LEU 104 CO -0.03 1.16 0.05 0.00 0.09 0.00 0.00 178.44 179.71 1skf h ALA 105 N 0.84 0.39 -0.60 1.53 0.00 -0.90 -1.89 119.26 118.63 1skf h ALA 105 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1skf h ALA 105 Cb 1.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1skf h ALA 105 CO 0.12 0.09 0.17 0.22 0.00 0.00 0.00 179.25 179.86 1skf h ASP 106 N 0.31 0.85 -0.13 0.00 3.58 -1.23 -1.31 116.42 118.50 1skf h ASP 106 Ca 0.09 -0.15 -0.18 0.00 0.42 0.00 0.00 57.03 57.21 1skf h ASP 106 Cb 0.35 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 41.18 1skf h ASP 106 CO 0.01 0.81 -0.62 0.50 -2.88 0.00 0.00 179.24 177.06 1skf h LYS 107 N 0.89 0.65 -0.02 0.28 1.63 -1.23 -3.36 116.57 115.40 1skf h LYS 107 Ca 0.20 -0.52 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 1skf h LYS 107 Cb 0.28 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1skf h LYS 107 CO -0.01 1.14 -0.33 0.66 -3.45 0.00 0.00 179.45 177.47 1skf n TYR 108 N -4.11 0.00 -1.87 1.91 4.02 -0.72 -4.92 117.16 111.47 1skf n TYR 108 Ca -0.08 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.51 1skf n TYR 108 Cb 0.66 -0.00 0.02 0.00 -0.02 0.00 0.00 39.34 40.00 1skf n TYR 108 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1skf s GLY 109 N -2.33 1.65 -0.11 2.72 0.00 -0.50 -4.88 107.32 103.86 1skf s GLY 109 Ca 0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 44.72 44.74 1skf s GLY 109 CO 0.49 0.13 -0.02 -1.35 0.00 0.00 0.00 173.10 172.35 1skf s SER 110 N -4.23 5.04 0.00 1.64 1.04 -1.26 -4.83 113.70 111.09 1skf s SER 110 Ca 0.56 0.03 0.00 0.00 0.48 0.00 0.00 55.95 57.02 1skf s SER 110 Cb -0.11 -1.57 0.00 0.00 0.10 0.00 0.00 66.02 64.44 1skf s SER 110 CO 0.53 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.65 1skf n GLY 111 N 2.72 2.71 0.03 7.32 0.00 -1.26 -4.10 105.19 112.62 1skf n GLY 111 Ca -0.18 -1.31 0.12 0.00 0.00 0.00 0.00 46.02 44.65 1skf n GLY 111 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1skf n SER 112 N 0.00 0.67 -4.31 1.61 7.64 -1.26 -4.75 113.62 113.22 1skf n SER 112 Ca 0.00 -0.48 -0.17 0.00 1.01 0.00 0.00 58.87 59.24 1skf n SER 112 Cb 0.00 0.39 -0.10 0.00 -1.01 0.00 0.00 64.21 63.49 1skf n SER 112 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1skf s THR 113 N -2.95 1.41 0.17 0.44 -4.23 -1.26 -5.04 115.64 104.19 1skf s THR 113 Ca 0.12 -2.12 -0.12 0.00 -1.18 0.00 0.00 61.69 58.38 1skf s THR 113 Cb 0.17 -2.04 0.08 0.00 1.34 0.00 0.00 72.50 72.05 1skf s THR 113 CO 0.72 -0.59 1.76 -0.09 -0.54 0.00 0.00 174.62 175.87 1skf h ARG 114 N 2.61 0.86 -0.73 3.99 2.43 -1.95 -1.63 114.38 119.96 1skf h ARG 114 Ca -0.38 -0.13 0.05 0.00 -0.81 0.00 0.00 59.98 58.72 1skf h ARG 114 Cb 1.21 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.55 1skf h ARG 114 CO 0.63 0.71 0.43 0.00 -1.51 0.00 0.00 179.97 180.23 1skf h ALA 115 N 1.11 0.98 -0.49 2.80 0.00 -1.99 -1.43 119.26 120.24 1skf h ALA 115 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1skf h ALA 115 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1skf h ALA 115 CO -0.02 0.14 -0.15 0.00 0.00 0.00 0.00 179.25 179.22 1skf h ALA 116 N 1.36 0.80 -0.15 0.00 0.00 -1.83 -2.83 119.26 116.60 1skf h ALA 116 Ca 0.32 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1skf h ALA 116 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1skf h ALA 116 CO -0.17 0.66 -0.47 0.00 0.00 0.00 0.00 179.25 179.28 1skf h ARG 117 N 0.84 0.37 -0.43 0.00 3.08 -0.75 -1.66 114.38 115.82 1skf h ARG 117 Ca 0.12 -0.20 -0.14 0.00 0.07 0.00 0.00 59.98 59.83 1skf h ARG 117 Cb 0.70 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1skf h ARG 117 CO 0.05 0.76 -0.29 -0.39 -1.07 0.00 0.00 179.97 179.04 1skf h VAL 118 N 0.30 1.27 -0.49 2.04 -1.51 -1.25 0.48 116.25 117.09 1skf h VAL 118 Ca 0.02 -1.46 0.00 0.00 -1.23 0.00 0.00 66.70 64.03 1skf h VAL 118 Cb 0.94 1.25 -0.02 0.00 -2.13 0.00 0.00 31.29 31.32 1skf h VAL 118 CO 0.08 0.50 0.32 0.11 -1.23 0.00 0.00 177.57 177.34 1skf h LYS 119 N 0.80 0.64 -0.34 5.19 1.79 -1.37 -0.78 116.57 122.51 1skf h LYS 119 Ca 0.09 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.44 1skf h LYS 119 Cb 0.88 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.37 1skf h LYS 119 CO 0.08 0.43 -0.11 1.03 -1.08 0.00 0.00 179.45 179.80 1skf h SER 120 N 0.66 0.56 -0.39 0.86 0.87 -1.10 -2.35 113.55 112.66 1skf h SER 120 Ca 0.18 -0.15 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 1skf h SER 120 Cb -0.06 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1skf h SER 120 CO -0.04 0.71 -0.03 0.15 -0.53 0.00 0.00 176.83 177.09 1skf h PHE 121 N 0.53 0.78 -0.27 2.24 3.57 -0.12 -1.81 116.94 121.86 1skf h PHE 121 Ca 0.10 -0.15 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 1skf h PHE 121 Cb 0.51 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1skf h PHE 121 CO 0.02 0.81 -0.04 0.82 -2.23 0.00 0.00 178.31 177.69 1skf h ILE 122 N 0.52 1.18 -0.35 1.41 2.04 -1.03 -0.99 117.51 120.30 1skf h ILE 122 Ca 0.11 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 65.16 1skf h ILE 122 Cb 0.52 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1skf h ILE 122 CO 0.03 0.25 -0.05 1.23 0.00 0.00 0.00 178.15 179.60 1skf h GLY 123 N 0.77 0.60 1.56 5.37 0.00 -1.08 -2.32 103.07 107.97 1skf h GLY 123 Ca 0.09 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 1skf h GLY 123 CO 0.01 0.36 -0.32 0.50 0.00 0.00 0.00 176.54 177.09 1skf h LYS 124 N 0.53 0.50 -0.53 4.80 1.57 -0.35 -1.88 116.57 121.20 1skf h LYS 124 Ca 0.11 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 1skf h LYS 124 Cb 0.42 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1skf h LYS 124 CO 0.02 0.76 0.05 0.52 -0.57 0.00 0.00 179.45 180.22 1skf h MET 125 N 0.43 0.91 -0.29 3.15 2.86 -0.82 -1.58 114.93 119.59 1skf h MET 125 Ca 0.05 -0.27 -0.13 0.00 -2.06 0.00 0.00 59.70 57.30 1skf h MET 125 Cb 0.77 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1skf h MET 125 CO 0.06 0.91 -0.35 -0.91 1.06 0.00 0.00 176.91 177.68 1skf h ASN 126 N 0.79 0.68 -0.69 1.22 2.35 -1.34 -2.52 115.58 116.07 1skf h ASN 126 Ca 0.16 -0.29 -0.06 0.00 -0.55 0.00 0.00 56.30 55.56 1skf h ASN 126 Cb 0.47 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1skf h ASN 126 CO 0.02 0.97 0.18 0.74 -1.65 0.00 0.00 177.43 177.69 1skf h THR 127 N 0.55 1.26 -0.94 2.81 2.02 -1.17 -1.95 112.91 115.49 1skf h THR 127 Ca 0.06 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 1skf h THR 127 Cb 0.86 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 1skf h THR 127 CO 0.07 0.36 0.58 0.00 0.37 0.00 0.00 175.52 176.90 1skf h ALA 128 N 1.09 1.24 -0.57 6.16 0.00 -1.09 -0.76 119.26 125.33 1skf h ALA 128 Ca 0.22 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1skf h ALA 128 Cb 0.35 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1skf h ALA 128 CO -0.00 0.66 0.11 0.00 0.00 0.00 0.00 179.25 180.01 1skf h ALA 129 N 1.34 0.75 -0.62 0.00 0.00 -0.99 -2.38 119.26 117.35 1skf h ALA 129 Ca 0.34 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1skf h ALA 129 Cb -0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1skf h ALA 129 CO -0.07 0.48 0.09 1.15 0.00 0.00 0.00 179.25 180.91 1skf h THR 130 N 0.82 1.26 0.00 0.00 2.02 -1.03 -2.03 112.91 113.96 1skf h THR 130 Ca 0.17 -1.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.33 1skf h THR 130 Cb 0.39 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1skf h THR 130 CO 0.01 0.37 -0.10 0.78 0.37 0.00 0.00 175.52 176.95 1skf h ASN 131 N 0.95 0.00 0.19 4.18 4.21 -0.86 0.12 115.58 124.37 1skf h ASN 131 Ca 0.19 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.70 1skf h ASN 131 Cb 0.42 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1skf h ASN 131 CO 0.01 0.10 -0.09 0.18 -1.29 0.00 0.00 177.43 176.34 1skf n LEU 132 N -3.47 0.76 -0.47 1.61 4.77 -0.82 -4.92 117.00 114.46 1skf n LEU 132 Ca -0.01 -0.17 -0.05 0.00 -0.03 0.00 0.00 56.01 55.75 1skf n LEU 132 Cb 0.25 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1skf n LEU 132 CO 0.29 0.13 -0.06 0.61 -1.33 0.00 0.00 177.39 177.04 1skf n GLY 133 N 1.22 0.45 3.85 -0.72 0.00 0.40 -5.03 105.19 105.36 1skf n GLY 133 Ca 0.17 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 1skf n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1skf s LEU 134 N -1.28 3.61 0.00 0.99 1.02 -0.85 -4.99 118.68 117.18 1skf s LEU 134 Ca 0.00 1.54 0.00 0.00 0.02 0.00 0.00 54.13 55.69 1skf s LEU 134 Cb 0.00 -4.48 0.00 0.00 0.02 0.00 0.00 46.19 41.73 1skf s LEU 134 CO 0.00 -0.59 0.00 1.41 0.02 0.00 0.00 176.35 177.19 1skf n HIS 135 N -1.64 0.00 -1.50 0.29 8.25 -1.26 -4.67 115.22 114.69 1skf n HIS 135 Ca 0.06 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.45 1skf n HIS 135 Cb 0.54 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.83 1skf n HIS 135 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1skf n ASN 136 N -0.99 2.78 -4.07 0.41 3.02 -1.26 -4.98 115.26 110.16 1skf n ASN 136 Ca 0.00 -3.80 -0.24 0.00 -0.03 0.00 0.00 54.58 50.51 1skf n ASN 136 Cb 0.02 -0.63 -0.16 0.00 -0.61 0.00 0.00 39.78 38.40 1skf n ASN 136 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1skf s THR 137 N -3.41 1.19 -0.14 3.41 2.01 -1.26 -3.68 115.64 113.76 1skf s THR 137 Ca 0.46 -0.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.78 1skf s THR 137 Cb 0.41 -1.05 0.04 0.00 0.01 0.00 0.00 72.50 71.91 1skf s THR 137 CO -0.00 0.36 0.37 -2.28 -0.69 0.00 0.00 174.62 172.37 1skf s HIS 138 N 0.27 -0.44 -0.05 4.92 5.04 -0.54 -4.99 115.29 119.49 1skf s HIS 138 Ca -0.07 1.04 0.04 0.00 -1.54 0.00 0.00 55.06 54.53 1skf s HIS 138 Cb -0.12 0.16 -0.03 0.00 0.04 0.00 0.00 32.58 32.63 1skf s HIS 138 CO 0.02 -0.23 -0.15 -0.06 -2.34 0.00 0.00 174.74 171.98 1skf s PHE 139 N 0.58 2.68 0.00 3.88 0.08 -1.25 -1.67 117.98 122.28 1skf s PHE 139 Ca -0.03 -0.19 0.00 0.00 0.12 0.00 0.00 56.93 56.82 1skf s PHE 139 Cb -0.05 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.78 1skf s PHE 139 CO -0.04 0.16 0.78 -3.47 -0.10 0.00 0.00 175.22 172.55 1skf n ASP 140 N 2.35 1.24 -3.71 1.36 2.03 -1.25 -4.92 116.55 113.65 1skf n ASP 140 Ca -0.17 -1.59 -0.09 0.00 0.52 0.00 0.00 54.79 53.46 1skf n ASP 140 Cb 0.52 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.90 1skf n ASP 140 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1skf s SER 141 N -0.59 -0.36 0.00 1.67 1.04 -1.26 -4.70 113.70 109.50 1skf s SER 141 Ca 0.00 -0.40 0.25 0.00 0.48 0.00 0.00 55.95 56.28 1skf s SER 141 Cb 0.00 0.68 0.52 0.00 0.10 0.00 0.00 66.02 67.32 1skf s SER 141 CO 0.00 -1.22 1.43 2.22 0.98 0.00 0.00 173.24 176.65 1skf n PHE 142 N -0.43 0.00 0.00 5.02 -1.74 -1.26 -4.43 117.46 114.62 1skf n PHE 142 Ca -0.08 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.81 1skf n PHE 142 Cb 0.61 -0.03 0.00 0.00 1.52 0.00 0.00 39.48 41.58 1skf n PHE 142 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 1skf n ASP 143 N 0.14 1.13 0.00 5.98 5.68 -1.26 -4.61 116.55 123.61 1skf n ASP 143 Ca 0.14 -0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 1skf n ASP 143 Cb 0.43 0.44 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 1skf n ASP 143 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1skf n GLY 144 N 0.78 0.84 0.11 6.12 0.00 -1.25 -3.98 105.19 107.81 1skf n GLY 144 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1skf n GLY 144 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1skf h ILE 145 N 0.00 0.91 0.00 -0.61 2.04 -1.93 -3.37 117.51 114.55 1skf h ILE 145 Ca 0.00 -2.66 0.00 0.00 1.00 0.00 0.00 64.86 63.20 1skf h ILE 145 Cb 0.00 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1skf h ILE 145 CO 0.00 0.73 0.00 0.61 0.00 0.00 0.00 178.15 179.49 1skf n GLY 146 N 1.71 0.00 0.00 5.37 0.00 -1.26 -4.98 105.19 106.02 1skf n GLY 146 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1skf n GLY 146 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1skf n ASN 147 N 0.00 0.00 0.00 1.61 2.04 -1.26 -5.01 115.26 112.64 1skf n ASN 147 Ca 0.00 -0.33 0.05 0.00 -0.44 0.00 0.00 54.58 53.86 1skf n ASN 147 Cb 0.00 0.00 0.29 0.00 -2.53 0.00 0.00 39.78 37.54 1skf n ASN 147 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1skf n GLY 148 N 0.00 -0.43 0.91 4.83 0.00 -1.26 -1.46 105.19 107.78 1skf n GLY 148 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.04 1skf n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1skf n ALA 149 N -1.11 2.50 -3.64 4.61 0.00 -1.26 -4.65 120.51 116.96 1skf n ALA 149 Ca 0.07 -0.86 -0.39 0.00 0.00 0.00 0.00 53.44 52.26 1skf n ALA 149 Cb 0.05 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.45 1skf n ALA 149 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1skf s ASN 150 N -0.96 5.53 0.16 0.00 2.47 -0.54 -3.83 114.94 117.77 1skf s ASN 150 Ca 0.32 -2.66 -0.02 0.00 0.42 0.00 0.00 52.86 50.92 1skf s ASN 150 Cb 0.17 -1.93 -0.04 0.00 -1.45 0.00 0.00 41.25 38.01 1skf s ASN 150 CO 0.21 -0.45 0.11 -0.72 -3.72 0.00 0.00 177.10 172.53 1skf s TYR 151 N 0.23 0.91 0.00 0.43 1.13 -0.67 -3.38 117.35 116.00 1skf s TYR 151 Ca 0.15 -1.23 0.00 0.00 -1.41 0.00 0.00 57.07 54.58 1skf s TYR 151 Cb -0.19 -0.45 0.00 0.00 -1.10 0.00 0.00 41.96 40.21 1skf s TYR 151 CO -0.04 -0.59 0.00 0.45 -2.51 0.00 0.00 175.55 172.86 1skf n SER 152 N -0.17 0.00 -4.16 -0.18 2.88 -0.74 -1.46 113.62 109.78 1skf n SER 152 Ca -0.03 -0.67 -0.10 0.00 -1.33 0.00 0.00 58.87 56.74 1skf n SER 152 Cb 0.64 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.00 1skf n SER 152 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1skf s THR 153 N -2.70 0.23 0.37 2.46 -4.23 -1.26 -0.86 115.64 109.66 1skf s THR 153 Ca 0.00 -1.91 0.05 0.00 -1.18 0.00 0.00 61.69 58.65 1skf s THR 153 Cb 0.00 -1.98 0.27 0.00 1.34 0.00 0.00 72.50 72.14 1skf s THR 153 CO 0.00 -0.55 2.01 -0.65 -0.54 0.00 0.00 174.62 174.89 1skf h PRO 154 N 2.88 0.73 -0.05 3.99 0.11 -1.81 -1.20 132.00 136.66 1skf h PRO 154 Ca -0.35 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.61 1skf h PRO 154 Cb 1.19 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 32.14 1skf h PRO 154 CO 0.61 0.48 -0.38 -0.09 -0.21 0.00 0.00 178.00 178.42 1skf h ARG 155 N 0.75 0.33 -0.41 1.05 2.43 -1.73 -2.82 114.38 113.99 1skf h ARG 155 Ca 0.24 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1skf h ARG 155 Cb 0.03 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1skf h ARG 155 CO -0.06 0.96 0.26 -0.44 -1.51 0.00 0.00 179.97 179.18 1skf h ASP 156 N -0.19 0.47 -0.50 -3.80 3.45 -1.76 -2.25 116.42 111.84 1skf h ASP 156 Ca -0.03 -0.03 -0.06 0.00 0.43 0.00 0.00 57.03 57.34 1skf h ASP 156 Cb 1.06 -0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 39.68 1skf h ASP 156 CO 0.08 0.36 0.12 0.25 -1.57 0.00 0.00 179.24 178.47 1skf h LEU 157 N 0.55 0.81 -0.81 1.55 5.85 -1.33 -1.82 115.31 120.10 1skf h LEU 157 Ca 0.15 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1skf h LEU 157 Cb -0.04 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1skf h LEU 157 CO -0.03 0.80 -0.07 0.74 -0.34 0.00 0.00 178.44 179.54 1skf h THR 158 N 0.83 1.25 -0.09 1.05 2.02 -1.23 -1.07 112.91 115.67 1skf h THR 158 Ca 0.18 -1.13 -0.12 0.00 0.77 0.00 0.00 66.41 66.11 1skf h THR 158 Cb 0.32 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1skf h THR 158 CO 0.00 0.39 -0.49 0.11 0.37 0.00 0.00 175.52 175.90 1skf h LYS 159 N 0.75 0.24 -0.24 6.66 1.57 -1.07 -0.51 116.57 123.95 1skf h LYS 159 Ca 0.13 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1skf h LYS 159 Cb 0.55 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1skf h LYS 159 CO 0.03 0.68 -0.14 0.82 -0.57 0.00 0.00 179.45 180.27 1skf h ILE 160 N 0.19 1.30 -0.63 1.86 2.04 -0.95 -2.33 117.51 119.00 1skf h ILE 160 Ca 0.01 -1.23 -0.06 0.00 1.00 0.00 0.00 64.86 64.58 1skf h ILE 160 Cb 0.94 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 1skf h ILE 160 CO 0.08 0.38 0.16 0.00 0.00 0.00 0.00 178.15 178.77 1skf h ALA 161 N 0.71 0.83 -0.88 1.87 0.00 -1.04 -1.77 119.26 118.98 1skf h ALA 161 Ca 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1skf h ALA 161 Cb 0.65 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1skf h ALA 161 CO 0.04 0.53 0.52 1.03 0.00 0.00 0.00 179.25 181.37 1skf h SER 162 N 0.92 1.06 -0.46 0.00 0.87 -1.06 -0.12 113.55 114.77 1skf h SER 162 Ca 0.20 -0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.60 1skf h SER 162 Cb 0.34 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1skf h SER 162 CO 0.00 0.82 -0.08 -1.28 -0.53 0.00 0.00 176.83 175.76 1skf h SER 163 N 1.22 0.86 -0.40 6.23 0.87 -1.14 -3.03 113.55 118.17 1skf h SER 163 Ca 0.32 -0.35 -0.09 0.00 -1.23 0.00 0.00 61.79 60.44 1skf h SER 163 Cb -0.04 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 1skf h SER 163 CO -0.06 1.01 -0.05 0.00 -0.53 0.00 0.00 176.83 177.20 1skf h ALA 164 N 0.88 1.02 0.00 6.23 0.00 -0.86 -2.56 119.26 123.97 1skf h ALA 164 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1skf h ALA 164 Cb 0.62 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1skf h ALA 164 CO 0.04 0.60 0.00 -1.33 0.00 0.00 0.00 179.25 178.56 1skf n MET 165 N -4.19 0.03 0.01 0.00 2.81 -0.10 -1.43 117.12 114.26 1skf n MET 165 Ca 0.02 0.32 0.13 0.00 -1.81 0.00 0.00 57.70 56.36 1skf n MET 165 Cb 0.34 -1.50 0.56 0.00 -0.71 0.00 0.00 33.22 31.90 1skf n MET 165 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1skf n LYS 166 N -1.37 0.02 -3.55 0.03 5.02 -0.96 -4.67 118.16 112.67 1skf n LYS 166 Ca 0.01 0.06 -0.38 0.00 -2.02 0.00 0.00 58.31 55.98 1skf n LYS 166 Cb 0.04 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.42 1skf n LYS 166 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1skf s ASN 167 N -3.11 6.12 0.39 4.39 3.84 -0.51 -4.99 114.94 121.06 1skf s ASN 167 Ca 0.13 0.11 0.08 0.00 0.21 0.00 0.00 52.86 53.38 1skf s ASN 167 Cb 0.17 -2.14 0.82 0.00 -0.55 0.00 0.00 41.25 39.55 1skf s ASN 167 CO 0.49 -0.05 1.99 0.77 -2.79 0.00 0.00 177.10 177.51 1skf h SER 168 N 8.06 0.57 -0.68 -4.21 4.64 -1.87 -1.46 113.55 118.60 1skf h SER 168 Ca -0.35 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.89 1skf h SER 168 Cb 1.18 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 1skf h SER 168 CO 0.60 0.37 0.12 0.74 -0.87 0.00 0.00 176.83 177.80 1skf h THR 169 N 0.65 1.26 -0.27 2.95 2.02 -1.94 -1.37 112.91 116.21 1skf h THR 169 Ca 0.27 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.39 1skf h THR 169 Cb 0.24 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1skf h THR 169 CO -0.08 0.39 0.08 0.15 0.37 0.00 0.00 175.52 176.43 1skf h PHE 170 N 1.05 0.44 -0.63 3.16 3.57 -1.59 -2.17 116.94 120.78 1skf h PHE 170 Ca 0.21 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 1skf h PHE 170 Cb 0.43 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1skf h PHE 170 CO 0.03 0.47 0.38 0.00 -2.23 0.00 0.00 178.31 176.96 1skf h ARG 171 N 0.28 0.85 0.09 1.11 3.08 -1.17 -2.18 114.38 116.43 1skf h ARG 171 Ca 0.09 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1skf h ARG 171 Cb 0.24 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1skf h ARG 171 CO -0.00 0.60 -0.04 1.15 -1.07 0.00 0.00 179.97 180.60 1skf h THR 172 N 0.86 1.09 0.04 2.04 2.02 -1.02 -3.11 112.91 114.83 1skf h THR 172 Ca 0.23 -0.70 0.02 0.00 0.77 0.00 0.00 66.41 66.73 1skf h THR 172 Cb -0.03 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 1skf h THR 172 CO -0.04 0.17 -0.16 0.58 0.37 0.00 0.00 175.52 176.44 1skf h VAL 173 N -0.44 0.62 -0.20 3.16 2.07 -1.24 -3.10 116.25 117.12 1skf h VAL 173 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.56 1skf h VAL 173 Cb 0.37 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1skf h VAL 173 CO 0.02 0.00 0.14 0.58 0.02 0.00 0.00 177.57 178.33 1skf h VAL 174 N -0.29 0.90 -0.02 2.57 2.07 -1.47 -1.84 116.25 118.17 1skf h VAL 174 Ca 0.04 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1skf h VAL 174 Cb 0.33 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1skf h VAL 174 CO -0.12 0.00 -0.07 2.29 0.02 0.00 0.00 177.57 179.69 1skf n LYS 175 N -4.48 1.77 -2.49 1.57 2.85 -1.18 -4.52 118.16 111.68 1skf n LYS 175 Ca 0.02 -1.25 -0.43 0.00 -1.05 0.00 0.00 58.31 55.60 1skf n LYS 175 Cb 0.28 -1.47 -0.02 0.00 -0.65 0.00 0.00 35.03 33.16 1skf n LYS 175 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1skf s THR 176 N -2.09 4.37 0.07 0.58 2.01 -0.69 -4.94 115.64 114.94 1skf s THR 176 Ca 0.31 1.66 0.01 0.00 0.31 0.00 0.00 61.69 63.98 1skf s THR 176 Cb 0.20 -4.07 -0.26 0.00 0.01 0.00 0.00 72.50 68.39 1skf s THR 176 CO 0.36 -0.10 1.12 0.11 -0.69 0.00 0.00 174.62 175.42 1skf h LYS 177 N 7.83 0.16 -3.35 4.92 1.57 -1.90 -3.41 116.57 122.39 1skf h LYS 177 Ca -0.27 -0.28 -0.15 0.00 -1.87 0.00 0.00 60.65 58.07 1skf h LYS 177 Cb 1.11 0.10 -0.23 0.00 0.08 0.00 0.00 32.23 33.30 1skf h LYS 177 CO 0.94 1.09 -0.46 0.00 -0.57 0.00 0.00 179.45 180.45 1skf s ALA 178 N -2.66 -0.45 -0.14 3.86 0.00 -1.26 -1.30 121.76 119.80 1skf s ALA 178 Ca -0.03 0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.01 1skf s ALA 178 Cb 0.08 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.18 1skf s ALA 178 CO 0.85 -0.17 0.36 -0.47 0.00 0.00 0.00 175.76 176.34 1skf s TYR 179 N -0.81 -0.44 -0.23 0.00 5.04 -0.23 -5.00 117.35 115.69 1skf s TYR 179 Ca -0.09 1.04 0.01 0.00 -2.44 0.00 0.00 57.07 55.59 1skf s TYR 179 Cb -0.05 0.16 0.04 0.00 0.35 0.00 0.00 41.96 42.46 1skf s TYR 179 CO 0.01 -0.23 -0.13 0.99 -1.34 0.00 0.00 175.55 174.85 1skf s THR 180 N 0.60 2.28 0.17 4.34 2.01 -1.26 0.04 115.64 123.81 1skf s THR 180 Ca -0.03 -1.26 -0.27 0.00 0.31 0.00 0.00 61.69 60.44 1skf s THR 180 Cb -0.05 -2.17 -0.08 0.00 0.01 0.00 0.00 72.50 70.22 1skf s THR 180 CO -0.04 0.22 0.83 0.00 -0.69 0.00 0.00 174.62 174.95 1skf s ALA 181 N 1.22 3.40 -0.35 7.40 0.00 -1.26 -4.95 121.76 127.22 1skf s ALA 181 Ca -0.02 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.38 1skf s ALA 181 Cb -0.17 -3.05 0.09 0.00 0.00 0.00 0.00 23.12 19.99 1skf s ALA 181 CO -0.08 0.22 0.08 0.15 0.00 0.00 0.00 175.76 176.13 1skf s LYS 182 N -0.94 1.86 0.33 0.00 1.02 -1.26 -1.07 119.74 119.69 1skf s LYS 182 Ca 0.38 -1.72 0.05 0.00 0.02 0.00 0.00 55.97 54.71 1skf s LYS 182 Cb -0.24 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.76 1skf s LYS 182 CO 0.28 -0.90 0.48 -0.08 -0.92 0.00 0.00 175.35 174.20 1skf s THR 183 N 1.05 4.27 -0.17 2.17 -1.32 0.34 -4.84 115.64 117.13 1skf s THR 183 Ca 0.06 -0.92 -0.10 0.00 -1.21 0.00 0.00 61.69 59.51 1skf s THR 183 Cb -0.20 -3.50 -0.05 0.00 -1.51 0.00 0.00 72.50 67.24 1skf s THR 183 CO -0.05 -0.21 0.17 -0.69 -2.21 0.00 0.00 174.62 171.63 1skf s VAL 184 N -2.19 5.40 0.85 5.08 1.01 -1.06 0.39 120.40 129.87 1skf s VAL 184 Ca 0.44 0.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.57 1skf s VAL 184 Cb -0.09 -3.50 0.11 0.00 0.00 0.00 0.00 36.38 32.90 1skf s VAL 184 CO 0.32 0.46 1.22 0.28 0.00 0.00 0.00 175.10 177.38 1skf s THR 185 N 0.11 2.01 0.41 3.92 -1.32 0.23 -0.62 115.64 120.38 1skf s THR 185 Ca 0.11 -0.01 0.10 0.00 -1.21 0.00 0.00 61.69 60.69 1skf s THR 185 Cb -0.12 -3.00 0.20 0.00 -1.51 0.00 0.00 72.50 68.07 1skf s THR 185 CO 0.01 0.00 1.98 0.50 -2.21 0.00 0.00 174.62 174.90 1skf h LYS 186 N -1.22 0.26 -0.32 7.08 3.64 -1.88 -2.20 116.57 121.94 1skf h LYS 186 Ca -0.45 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1skf h LYS 186 Cb 1.30 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1skf h LYS 186 CO 0.58 0.31 0.00 0.25 -2.27 0.00 0.00 179.45 178.32 1skf n THR 187 N -4.36 0.41 -0.08 1.00 -2.24 -1.26 -4.95 114.28 102.80 1skf n THR 187 Ca -0.00 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1skf n THR 187 Cb 0.19 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1skf n THR 187 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1skf n GLY 188 N 1.35 0.50 3.90 3.38 0.00 -0.83 -5.08 105.19 108.41 1skf n GLY 188 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1skf n GLY 188 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1skf s SER 189 N -2.72 5.33 -0.16 1.61 1.04 -1.26 -4.66 113.70 112.88 1skf s SER 189 Ca 0.00 0.87 -0.12 0.00 0.48 0.00 0.00 55.95 57.18 1skf s SER 189 Cb 0.00 -1.69 -0.05 0.00 0.10 0.00 0.00 66.02 64.38 1skf s SER 189 CO 0.00 -1.33 0.25 -0.63 0.98 0.00 0.00 173.24 172.51 1skf s ILE 190 N -3.24 5.33 -0.08 -1.02 -1.09 -1.26 0.76 121.20 120.60 1skf s ILE 190 Ca 0.57 0.45 0.02 0.00 -2.23 0.00 0.00 60.65 59.47 1skf s ILE 190 Cb -0.11 -3.58 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 1skf s ILE 190 CO 0.48 0.43 -0.14 -0.60 -1.23 0.00 0.00 174.94 173.88 1skf s ARG 191 N 0.22 2.89 -0.36 2.79 3.52 0.16 -4.93 118.95 123.24 1skf s ARG 191 Ca 0.15 -0.70 -0.15 0.00 -0.13 0.00 0.00 55.73 54.90 1skf s ARG 191 Cb -0.13 -2.47 -0.01 0.00 -1.56 0.00 0.00 34.95 30.78 1skf s ARG 191 CO 0.03 0.43 0.33 0.99 -0.81 0.00 0.00 175.30 176.28 1skf s THR 192 N -0.24 5.20 0.74 4.11 2.01 -1.26 -0.51 115.64 125.69 1skf s THR 192 Ca 0.01 -0.14 -0.11 0.00 0.31 0.00 0.00 61.69 61.76 1skf s THR 192 Cb -0.13 -3.83 0.05 0.00 0.01 0.00 0.00 72.50 68.59 1skf s THR 192 CO 0.03 -0.13 1.11 -0.04 -0.69 0.00 0.00 174.62 174.89 1skf s MET 193 N 1.92 2.43 0.33 4.92 -1.94 -0.23 -5.01 119.30 121.72 1skf s MET 193 Ca 0.10 0.21 -0.28 0.00 -1.71 0.00 0.00 55.69 54.01 1skf s MET 193 Cb -0.17 -2.03 -0.09 0.00 2.01 0.00 0.00 34.83 34.55 1skf s MET 193 CO 0.11 -1.26 1.19 -0.51 -0.01 0.00 0.00 175.02 174.54 1skf s ASP 194 N -4.46 6.88 0.31 3.03 1.11 -1.26 -4.64 116.67 117.63 1skf s ASP 194 Ca 0.60 2.44 -0.29 0.00 0.18 0.00 0.00 52.55 55.47 1skf s ASP 194 Cb -0.11 -2.63 -0.12 0.00 1.07 0.00 0.00 42.92 41.13 1skf s ASP 194 CO 0.49 -0.44 1.41 0.41 1.18 0.00 0.00 175.17 178.22 1skf n THR 195 N 0.72 1.51 -3.50 -1.27 -1.04 -1.26 -4.74 114.28 104.70 1skf n THR 195 Ca 0.01 -0.38 -0.37 0.00 -2.04 0.00 0.00 64.05 61.27 1skf n THR 195 Cb 0.44 -1.66 -0.06 0.00 -1.82 0.00 0.00 70.33 67.22 1skf n THR 195 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1skf s TRP 196 N -0.59 3.55 -0.05 -1.42 0.51 0.11 -4.95 118.94 116.09 1skf s TRP 196 Ca 0.60 0.76 0.06 0.00 -2.12 0.00 0.00 56.10 55.40 1skf s TRP 196 Cb -0.57 -2.35 -0.02 0.00 -0.81 0.00 0.00 33.47 29.73 1skf s TRP 196 CO 0.56 0.36 -0.22 0.15 -0.51 0.00 0.00 176.95 177.28 1skf s LYS 197 N 0.02 2.51 0.21 4.98 1.02 -1.26 -1.06 119.74 126.15 1skf s LYS 197 Ca 0.20 -0.86 -0.31 0.00 0.02 0.00 0.00 55.97 55.03 1skf s LYS 197 Cb -0.14 -2.21 -0.10 0.00 -0.52 0.00 0.00 37.83 34.86 1skf s LYS 197 CO 0.08 0.45 1.53 1.21 -0.92 0.00 0.00 175.35 177.70 1skf s ASN 198 N -0.32 6.58 0.15 2.83 3.84 -0.42 -3.77 114.94 123.82 1skf s ASN 198 Ca 0.02 2.68 0.23 0.00 0.21 0.00 0.00 52.86 56.00 1skf s ASN 198 Cb -0.13 -2.61 0.91 0.00 -0.55 0.00 0.00 41.25 38.87 1skf s ASN 198 CO 0.02 -0.80 1.72 0.35 -2.79 0.00 0.00 177.10 175.61 1skf n THR 199 N 3.18 0.65 -2.65 -5.21 -2.24 -0.70 -4.67 114.28 102.63 1skf n THR 199 Ca 0.11 0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.51 1skf n THR 199 Cb 0.39 -0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 1skf n THR 199 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1skf s ASN 200 N -3.86 6.23 0.36 3.42 2.47 -1.26 -4.90 114.94 117.40 1skf s ASN 200 Ca 0.08 -0.46 0.27 0.00 0.42 0.00 0.00 52.86 53.17 1skf s ASN 200 Cb 0.12 -2.52 1.22 0.00 -1.45 0.00 0.00 41.25 38.62 1skf s ASN 200 CO 0.45 -1.64 1.80 1.23 -3.72 0.00 0.00 177.10 175.23 1skf h GLY 201 N 12.29 0.00 2.00 1.21 0.00 -2.00 -2.99 103.07 113.58 1skf h GLY 201 Ca -0.27 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1skf h GLY 201 CO 1.23 0.00 -0.16 1.41 0.00 0.00 0.00 176.54 179.02 1skf h LEU 202 N 0.00 0.00 -2.56 3.11 3.38 -1.95 -1.99 115.31 115.30 1skf h LEU 202 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1skf h LEU 202 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1skf h LEU 202 CO 0.00 0.16 0.05 -0.07 0.09 0.00 0.00 178.44 178.67 1skf h LEU 203 N 0.00 0.00 0.00 1.67 3.38 -1.81 -0.40 115.31 118.15 1skf h LEU 203 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1skf h LEU 203 Cb 0.37 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1skf h LEU 203 CO 0.02 0.00 -1.73 -1.20 0.09 0.00 0.00 178.44 175.62 1skf n SER 204 N -3.57 2.38 0.02 -0.43 7.64 -0.94 -4.76 113.62 113.97 1skf n SER 204 Ca -0.02 -0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.70 1skf n SER 204 Cb 0.14 0.74 -0.14 0.00 -1.01 0.00 0.00 64.21 63.94 1skf n SER 204 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1skf h SER 205 N 0.00 0.29 -3.63 6.43 4.64 -1.16 -3.45 113.55 116.67 1skf h SER 205 Ca -0.29 -0.53 -0.68 0.00 -0.47 0.00 0.00 61.79 59.83 1skf h SER 205 Cb 1.65 -0.10 -0.24 0.00 -0.31 0.00 0.00 62.40 63.41 1skf h SER 205 CO 0.01 1.46 -0.58 -0.47 -0.87 0.00 0.00 176.83 176.38 1skf s TYR 206 N -2.59 3.17 0.21 4.77 5.04 -0.18 -5.05 117.35 122.71 1skf s TYR 206 Ca -0.12 -0.77 -0.31 0.00 -2.44 0.00 0.00 57.07 53.43 1skf s TYR 206 Cb 0.07 -2.31 -0.10 0.00 0.35 0.00 0.00 41.96 39.97 1skf s TYR 206 CO 0.82 -0.52 1.52 -1.54 -1.34 0.00 0.00 175.55 174.49 1skf s SER 207 N 1.56 6.60 0.00 4.32 1.04 -1.26 -1.79 113.70 124.17 1skf s SER 207 Ca 0.04 2.66 0.00 0.00 0.48 0.00 0.00 55.95 59.12 1skf s SER 207 Cb -0.17 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.34 1skf s SER 207 CO 0.05 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.10 1skf n GLY 208 N 3.01 1.10 3.70 7.32 0.00 -1.26 -4.85 105.19 114.21 1skf n GLY 208 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1skf n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1skf n ALA 209 N -1.51 1.44 -0.74 4.61 0.00 -0.74 -1.36 120.51 122.21 1skf n ALA 209 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1skf n ALA 209 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.16 1skf n ALA 209 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1skf n ILE 210 N 0.98 0.00 -3.89 0.00 -5.35 -0.59 -4.88 119.36 105.65 1skf n ILE 210 Ca 0.07 -0.02 -0.01 0.00 -0.27 0.00 0.00 62.75 62.53 1skf n ILE 210 Cb 0.35 1.74 0.01 0.00 -1.74 0.00 0.00 39.64 40.00 1skf n ILE 210 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1skf n GLY 211 N 0.01 0.54 0.00 3.28 0.00 -1.16 -3.69 105.19 104.17 1skf n GLY 211 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1skf n GLY 211 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1skf n VAL 212 N -0.67 0.00 0.00 1.61 3.14 0.22 -2.32 118.33 120.31 1skf n VAL 212 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1skf n VAL 212 Cb 0.48 -0.08 0.00 0.00 -1.06 0.00 0.00 33.84 33.18 1skf n VAL 212 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1skf n LYS 213 N -0.74 0.00 -2.35 1.45 0.00 -0.70 -4.88 118.16 110.95 1skf n LYS 213 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 58.31 58.07 1skf n LYS 213 Cb 0.04 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.13 1skf n LYS 213 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1skf s THR 214 N -0.44 2.42 0.04 3.15 -4.23 -1.26 -0.65 115.64 114.68 1skf s THR 214 Ca 0.00 -0.40 -0.27 0.00 -1.18 0.00 0.00 61.69 59.84 1skf s THR 214 Cb 0.00 -3.01 0.08 0.00 1.34 0.00 0.00 72.50 70.91 1skf s THR 214 CO 0.00 -0.01 0.67 -0.83 -0.54 0.00 0.00 174.62 173.92 1skf s GLY 215 N -4.48 -0.57 0.17 3.99 0.00 0.16 -4.36 107.32 102.22 1skf s GLY 215 Ca 0.59 0.96 -0.24 0.00 0.00 0.00 0.00 44.72 46.03 1skf s GLY 215 CO 0.43 0.55 0.76 -1.35 0.00 0.00 0.00 173.10 173.49 1skf s SER 216 N -1.99 -0.36 -0.19 1.64 1.04 -1.25 0.00 113.70 112.60 1skf s SER 216 Ca -0.04 -0.28 -0.35 0.00 0.48 0.00 0.00 55.95 55.76 1skf s SER 216 Cb -0.01 0.58 0.15 0.00 0.10 0.00 0.00 66.02 66.84 1skf s SER 216 CO -0.02 -1.01 1.35 -0.83 0.98 0.00 0.00 173.24 173.71 1skf s GLY 217 N -2.80 -0.32 0.39 7.32 0.00 -0.90 -2.19 107.32 108.82 1skf s GLY 217 Ca 0.07 1.45 0.07 0.00 0.00 0.00 0.00 44.72 46.32 1skf s GLY 217 CO -0.03 0.43 2.00 -0.56 0.00 0.00 0.00 173.10 174.94 1skf h PRO 218 N 2.00 0.48 0.00 2.90 0.13 -1.97 0.19 132.00 135.72 1skf h PRO 218 Ca -0.15 -0.06 -0.35 0.00 -0.87 0.00 0.00 66.00 64.57 1skf h PRO 218 Cb 1.16 -0.09 -0.07 0.00 0.13 0.00 0.00 31.00 32.13 1skf h PRO 218 CO 0.23 0.40 -2.33 0.39 -0.23 0.00 0.00 178.00 176.46 1skf n GLU 219 N -4.40 0.80 0.18 0.86 -0.58 -1.26 -4.49 120.64 111.74 1skf n GLU 219 Ca 0.02 0.04 0.05 0.00 -0.42 0.00 0.00 57.16 56.85 1skf n GLU 219 Cb 0.13 -1.49 0.26 0.00 -0.57 0.00 0.00 31.44 29.78 1skf n GLU 219 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1skf h ALA 220 N 0.63 0.91 -0.65 0.62 0.00 -1.76 -3.44 119.26 115.56 1skf h ALA 220 Ca -0.52 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1skf h ALA 220 Cb 2.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1skf h ALA 220 CO -0.01 0.51 0.00 1.63 0.00 0.00 0.00 179.25 181.38 1skf n LYS 221 N -3.44 0.00 -3.27 0.00 4.01 0.65 -3.48 118.16 112.62 1skf n LYS 221 Ca 0.00 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.38 1skf n LYS 221 Cb 0.56 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 35.00 1skf n LYS 221 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1skf s TYR 222 N 0.00 3.16 0.34 2.13 2.02 -1.17 -2.12 117.35 121.71 1skf s TYR 222 Ca 0.00 -0.08 0.09 0.00 -0.37 0.00 0.00 57.07 56.71 1skf s TYR 222 Cb 0.00 -2.94 -0.06 0.00 -0.40 0.00 0.00 41.96 38.56 1skf s TYR 222 CO 0.00 -0.63 -0.06 0.00 -1.57 0.00 0.00 175.55 173.29 1skf s LEU 224 N -3.65 -0.83 -0.22 0.00 0.20 -0.89 -0.66 118.68 112.63 1skf s LEU 224 Ca 0.33 1.33 -0.05 0.00 0.69 0.00 0.00 54.13 56.43 1skf s LEU 224 Cb 0.01 2.22 -0.02 0.00 -0.43 0.00 0.00 46.19 47.96 1skf s LEU 224 CO 0.18 -0.21 0.01 -0.69 -0.29 0.00 0.00 176.35 175.35 1skf s VAL 225 N 1.56 3.95 0.29 1.68 1.01 0.18 -1.57 120.40 127.50 1skf s VAL 225 Ca -0.10 -0.30 0.10 0.00 0.00 0.00 0.00 61.98 61.68 1skf s VAL 225 Cb -0.05 -2.81 -0.06 0.00 0.00 0.00 0.00 36.38 33.47 1skf s VAL 225 CO -0.19 0.40 -0.15 0.72 0.00 0.00 0.00 175.10 175.89 1skf s PHE 226 N 1.27 2.23 -0.07 5.22 -0.12 -0.09 -0.61 117.98 125.81 1skf s PHE 226 Ca 0.04 -0.44 -0.27 0.00 -0.05 0.00 0.00 56.93 56.21 1skf s PHE 226 Cb -0.15 -1.10 0.06 0.00 -0.63 0.00 0.00 43.02 41.20 1skf s PHE 226 CO 0.01 0.60 0.61 0.00 -0.05 0.00 0.00 175.22 176.39 1skf s ALA 227 N -2.64 -1.56 -0.02 1.99 0.00 -0.98 -1.09 121.76 117.46 1skf s ALA 227 Ca 0.30 1.21 -0.30 0.00 0.00 0.00 0.00 51.96 53.17 1skf s ALA 227 Cb -0.01 -0.15 0.07 0.00 0.00 0.00 0.00 23.12 23.03 1skf s ALA 227 CO 0.14 -0.34 0.68 0.00 0.00 0.00 0.00 175.76 176.24 1skf s ALA 228 N -0.98 -1.75 0.03 0.00 0.00 -0.89 -1.54 121.76 116.64 1skf s ALA 228 Ca -0.10 1.20 0.08 0.00 0.00 0.00 0.00 51.96 53.15 1skf s ALA 228 Cb -0.02 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 1skf s ALA 228 CO 0.08 -0.43 -0.25 0.99 0.00 0.00 0.00 175.76 176.15 1skf s THR 229 N -1.59 1.98 -0.29 0.00 2.01 -0.47 -1.75 115.64 115.54 1skf s THR 229 Ca -0.09 -1.27 -0.14 0.00 0.31 0.00 0.00 61.69 60.51 1skf s THR 229 Cb -0.00 -1.69 0.10 0.00 0.01 0.00 0.00 72.50 70.93 1skf s THR 229 CO 0.06 0.37 0.72 -0.13 -0.69 0.00 0.00 174.62 174.95 1skf s ARG 230 N -1.07 0.62 -1.55 4.92 0.52 0.12 -4.45 118.95 118.06 1skf s ARG 230 Ca 0.10 1.23 -0.04 0.00 -0.52 0.00 0.00 55.73 56.51 1skf s ARG 230 Cb -0.10 0.38 0.00 0.00 0.52 0.00 0.00 34.95 35.76 1skf s ARG 230 CO 0.01 -0.16 0.47 0.41 0.02 0.00 0.00 175.30 176.06 1skf n GLY 231 N 4.65 -0.47 2.49 -3.53 0.00 -1.26 -1.04 105.19 106.02 1skf n GLY 231 Ca -0.17 0.07 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 1skf n GLY 231 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1skf n GLY 232 N -1.41 0.29 3.35 -0.02 0.00 -1.26 -4.98 105.19 101.16 1skf n GLY 232 Ca -0.14 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1skf n GLY 232 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1skf s LYS 233 N -1.08 3.39 -0.14 1.61 2.20 -0.21 -5.08 119.74 120.42 1skf s LYS 233 Ca 0.00 -0.66 0.02 0.00 -0.36 0.00 0.00 55.97 54.98 1skf s LYS 233 Cb 0.00 -2.78 0.01 0.00 -1.51 0.00 0.00 37.83 33.55 1skf s LYS 233 CO 0.00 0.05 -0.21 -0.08 -0.36 0.00 0.00 175.35 174.75 1skf s THR 234 N 0.79 2.01 -0.14 3.43 -1.32 -1.26 -0.71 115.64 118.45 1skf s THR 234 Ca -0.04 -0.95 -0.05 0.00 -1.21 0.00 0.00 61.69 59.45 1skf s THR 234 Cb -0.15 -1.78 -0.04 0.00 -1.51 0.00 0.00 72.50 69.02 1skf s THR 234 CO 0.01 0.54 0.04 0.68 -2.21 0.00 0.00 174.62 173.68 1skf s VAL 235 N 0.87 4.61 0.04 5.08 -7.23 -0.71 -1.00 120.40 122.05 1skf s VAL 235 Ca -0.06 -0.11 0.08 0.00 -1.81 0.00 0.00 61.98 60.08 1skf s VAL 235 Cb -0.15 -3.02 -0.03 0.00 0.56 0.00 0.00 36.38 33.74 1skf s VAL 235 CO -0.03 0.52 -0.22 -0.51 -0.31 0.00 0.00 175.10 174.55 1skf s ILE 236 N -0.15 1.81 0.26 -0.62 2.07 -0.69 -2.09 121.20 121.79 1skf s ILE 236 Ca 0.06 -1.24 -0.20 0.00 -1.41 0.00 0.00 60.65 57.86 1skf s ILE 236 Cb -0.12 -1.56 0.07 0.00 0.13 0.00 0.00 42.46 40.97 1skf s ILE 236 CO 0.02 0.27 0.95 -0.83 -1.91 0.00 0.00 174.94 173.43 1skf s GLY 237 N -1.16 0.21 0.04 1.50 0.00 -0.25 -0.95 107.32 106.71 1skf s GLY 237 Ca 0.09 -0.49 0.02 0.00 0.00 0.00 0.00 44.72 44.34 1skf s GLY 237 CO 0.02 1.49 -0.07 -1.59 0.00 0.00 0.00 173.10 172.95 1skf s THR 238 N -2.21 0.50 -0.06 0.90 2.01 0.03 -0.91 115.64 115.90 1skf s THR 238 Ca 0.20 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 61.06 1skf s THR 238 Cb -0.04 -0.67 0.02 0.00 0.01 0.00 0.00 72.50 71.83 1skf s THR 238 CO 0.07 -0.44 -0.03 -0.69 -0.69 0.00 0.00 174.62 172.84 1skf s VAL 239 N -1.59 0.53 -0.06 3.82 1.01 -0.61 -1.27 120.40 122.23 1skf s VAL 239 Ca -0.09 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1skf s VAL 239 Cb -0.09 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 1skf s VAL 239 CO -0.00 0.25 -0.22 -0.76 0.00 0.00 0.00 175.10 174.37 1skf s LEU 240 N 1.35 2.27 -1.12 3.92 1.02 0.10 -2.09 118.68 124.13 1skf s LEU 240 Ca -0.04 -0.43 -0.03 0.00 0.02 0.00 0.00 54.13 53.65 1skf s LEU 240 Cb -0.13 -1.43 -0.03 0.00 0.02 0.00 0.00 46.19 44.61 1skf s LEU 240 CO -0.02 0.26 0.96 0.00 0.02 0.00 0.00 176.35 177.56 1skf n ALA 241 N 2.85 -2.25 -1.94 4.21 0.00 -1.21 -2.29 120.51 119.88 1skf n ALA 241 Ca -0.17 0.04 -0.28 0.00 0.00 0.00 0.00 53.44 53.03 1skf n ALA 241 Cb 0.52 -4.11 0.14 0.00 0.00 0.00 0.00 19.45 16.01 1skf n ALA 241 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1skf s SER 242 N -3.88 3.73 0.03 0.00 0.15 0.64 -3.11 113.70 111.27 1skf s SER 242 Ca 0.23 0.26 0.24 0.00 0.70 0.00 0.00 55.95 57.38 1skf s SER 242 Cb -0.03 -0.49 0.31 0.00 -1.71 0.00 0.00 66.02 64.09 1skf s SER 242 CO 0.73 -2.33 1.26 0.35 1.20 0.00 0.00 173.24 174.46 1skf n THR 243 N -3.44 0.09 -3.82 6.45 -2.24 -1.26 -3.02 114.28 107.04 1skf n THR 243 Ca 0.13 -0.09 -0.03 0.00 -2.27 0.00 0.00 64.05 61.79 1skf n THR 243 Cb 0.60 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1skf n THR 243 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1skf s SER 244 N -3.39 -0.07 0.06 3.42 1.04 -1.26 -4.92 113.70 108.59 1skf s SER 244 Ca 0.08 -0.54 -0.30 0.00 0.48 0.00 0.00 55.95 55.67 1skf s SER 244 Cb 0.16 0.48 -0.18 0.00 0.10 0.00 0.00 66.02 66.58 1skf s SER 244 CO 0.74 -0.92 1.54 0.40 0.98 0.00 0.00 173.24 175.98 1skf h ILE 245 N 2.00 0.45 -0.55 -1.02 1.08 -1.96 -0.68 117.51 116.83 1skf h ILE 245 Ca -0.26 -0.12 -0.06 0.00 -0.39 0.00 0.00 64.86 64.03 1skf h ILE 245 Cb 1.22 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 35.45 1skf h ILE 245 CO 0.31 0.02 0.10 1.55 -0.69 0.00 0.00 178.15 179.45 1skf h PRO 246 N -0.80 0.86 -0.69 2.37 0.13 -2.00 -2.64 132.00 129.24 1skf h PRO 246 Ca -0.07 -0.19 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 1skf h PRO 246 Cb 0.59 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 1skf h PRO 246 CO 0.12 0.80 0.35 0.00 -0.23 0.00 0.00 178.00 179.04 1skf h ALA 247 N 1.29 0.88 -0.54 -0.56 0.00 -1.93 -1.59 119.26 116.81 1skf h ALA 247 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1skf h ALA 247 Cb 0.35 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1skf h ALA 247 CO 0.00 0.43 0.29 -0.09 0.00 0.00 0.00 179.25 179.88 1skf h ARG 248 N 0.95 0.74 -0.25 0.00 2.43 -0.90 -0.87 114.38 116.48 1skf h ARG 248 Ca 0.24 -0.08 -0.19 0.00 -0.81 0.00 0.00 59.98 59.14 1skf h ARG 248 Cb 0.09 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1skf h ARG 248 CO -0.03 0.56 -0.58 0.93 -1.51 0.00 0.00 179.97 179.33 1skf h GLU 249 N 0.75 0.81 -0.02 0.20 5.08 -1.04 -2.82 114.58 117.54 1skf h GLU 249 Ca 0.19 -0.53 -0.18 0.00 -1.00 0.00 0.00 59.36 57.84 1skf h GLU 249 Cb 0.04 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1skf h GLU 249 CO -0.03 1.16 -0.80 0.66 -1.00 0.00 0.00 179.01 179.00 1skf h SER 250 N 0.61 0.29 -0.26 1.42 4.64 -1.05 -2.04 113.55 117.16 1skf h SER 250 Ca 0.00 -0.21 0.05 0.00 -0.47 0.00 0.00 61.79 61.16 1skf h SER 250 Cb 1.18 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 63.13 1skf h SER 250 CO 0.12 0.97 -0.07 0.44 -0.87 0.00 0.00 176.83 177.43 1skf h ASP 251 N 0.14 -0.25 -0.45 4.97 3.45 -1.13 0.15 116.42 123.31 1skf h ASP 251 Ca -0.04 0.08 -0.11 0.00 0.43 0.00 0.00 57.03 57.39 1skf h ASP 251 Cb 1.39 0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 40.31 1skf h ASP 251 CO 0.12 -0.09 -0.15 0.00 -1.57 0.00 0.00 179.24 177.56 1skf h ALA 252 N 1.26 0.82 -0.72 3.45 0.00 -1.47 -2.15 119.26 120.44 1skf h ALA 252 Ca 0.13 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1skf h ALA 252 Cb 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1skf h ALA 252 CO -0.27 0.65 0.43 1.15 0.00 0.00 0.00 179.25 181.21 1skf h THR 253 N 0.83 1.21 -0.59 0.00 2.02 -0.77 -1.04 112.91 114.56 1skf h THR 253 Ca 0.12 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 1skf h THR 253 Cb 0.69 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1skf h THR 253 CO 0.05 0.21 0.20 0.11 0.37 0.00 0.00 175.52 176.46 1skf h LYS 254 N 0.98 0.90 -0.41 6.66 1.57 -0.82 -1.60 116.57 123.85 1skf h LYS 254 Ca 0.26 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 1skf h LYS 254 Cb -0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1skf h LYS 254 CO -0.05 0.80 -0.25 0.82 -0.57 0.00 0.00 179.45 180.20 1skf h ILE 255 N 0.83 1.28 -0.47 1.86 2.04 -1.08 -2.61 117.51 119.36 1skf h ILE 255 Ca 0.19 -1.41 -0.10 0.00 1.00 0.00 0.00 64.86 64.55 1skf h ILE 255 Cb 0.26 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1skf h ILE 255 CO -0.01 0.47 -0.09 0.24 0.00 0.00 0.00 178.15 178.77 1skf h MET 256 N 0.71 0.88 -0.57 2.37 2.86 -1.09 -0.61 114.93 119.49 1skf h MET 256 Ca 0.09 -0.33 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 1skf h MET 256 Cb 0.82 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 1skf h MET 256 CO 0.07 0.97 0.24 -0.91 1.06 0.00 0.00 176.91 178.34 1skf h ASN 257 N 0.73 0.75 -0.17 1.22 -0.26 -1.29 -1.51 115.58 115.04 1skf h ASN 257 Ca 0.12 -0.09 -0.06 0.00 -0.56 0.00 0.00 56.30 55.71 1skf h ASN 257 Cb 0.63 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.69 1skf h ASN 257 CO 0.04 0.66 -0.14 0.22 -1.06 0.00 0.00 177.43 177.16 1skf h TYR 258 N 0.82 0.47 -0.43 1.19 3.20 -1.27 -2.69 116.97 118.25 1skf h TYR 258 Ca 0.20 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1skf h TYR 258 Cb 0.14 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1skf h TYR 258 CO 0.01 0.75 0.25 0.78 -1.64 0.00 0.00 178.16 178.31 1skf h GLY 259 N 0.05 0.62 1.99 1.82 0.00 -0.66 -1.63 103.07 105.26 1skf h GLY 259 Ca 0.03 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1skf h GLY 259 CO 0.04 0.24 -0.29 0.74 0.00 0.00 0.00 176.54 177.27 1skf h PHE 260 N 0.59 0.00 0.00 5.60 0.04 -1.29 -3.27 116.94 118.61 1skf h PHE 260 Ca 0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1skf h PHE 260 Cb -0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1skf h PHE 260 CO 0.00 0.28 -0.51 0.00 -0.60 0.00 0.00 178.31 177.49 1skf n ALA 261 N -2.17 3.35 0.20 2.45 0.00 -0.68 -5.11 120.51 118.56 1skf n ALA 261 Ca 0.03 -0.32 0.02 0.00 0.00 0.00 0.00 53.44 53.17 1skf n ALA 261 Cb 0.65 -1.15 0.10 0.00 0.00 0.00 0.00 19.45 19.05 1skf n ALA 261 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39