#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 9ica n THR 10 N 0.00 0.00 0.09 2.62 5.66 -1.26 -4.82 114.28 116.58 9ica n THR 10 Ca 0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 9ica n THR 10 Cb 0.00 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.80 9ica n THR 10 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 9ica h LEU 11 N 0.00 0.10 -2.39 1.09 -0.00 -1.95 -3.21 115.31 108.95 9ica h LEU 11 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 9ica h LEU 11 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.63 9ica h LEU 11 CO 0.00 0.87 0.00 0.59 -0.00 0.00 0.00 178.44 179.90 9ica n ASN 12 N -3.62 2.55 0.00 0.17 5.03 -1.26 -4.67 115.26 113.45 9ica n ASN 12 Ca -0.02 -1.81 0.00 0.00 0.87 0.00 0.00 54.58 53.62 9ica n ASN 12 Cb 0.78 -0.15 0.00 0.00 -1.02 0.00 0.00 39.78 39.39 9ica n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 9ica n GLY 13 N 0.51 -1.70 0.28 7.41 0.00 -1.21 -1.17 105.19 109.31 9ica n GLY 13 Ca 0.09 0.34 0.07 0.00 0.00 0.00 0.00 46.02 46.53 9ica n GLY 13 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 9ica h GLY 14 N 0.00 1.06 1.00 -0.02 0.00 -1.89 0.89 103.07 104.11 9ica h GLY 14 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 9ica h GLY 14 CO 0.00 -0.24 -0.28 -2.22 0.00 0.00 0.00 176.54 173.80 9ica h ILE 15 N 0.24 0.43 -0.63 2.60 2.04 -1.70 0.44 117.51 120.92 9ica h ILE 15 Ca 0.44 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.27 9ica h ILE 15 Cb 0.78 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 9ica h ILE 15 CO -0.56 0.00 0.26 0.71 0.00 0.00 0.00 178.15 178.57 9ica h THR 16 N -0.78 1.22 -0.79 -0.27 1.35 -0.01 -2.26 112.91 111.38 9ica h THR 16 Ca -0.08 -0.67 0.04 0.00 -0.55 0.00 0.00 66.41 65.15 9ica h THR 16 Cb 0.60 0.45 -0.05 0.00 -1.73 0.00 0.00 68.15 67.42 9ica h THR 16 CO 0.13 0.27 0.49 0.44 -0.25 0.00 0.00 175.52 176.60 9ica h ASP 17 N 0.91 0.79 0.06 5.36 3.32 0.15 -1.22 116.42 125.79 9ica h ASP 17 Ca 0.22 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 9ica h ASP 17 Cb 0.16 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.55 9ica h ASP 17 CO -0.02 0.53 -0.03 -0.03 -1.72 0.00 0.00 179.24 177.97 9ica h MET 18 N 0.93 -0.08 -0.96 3.56 1.85 -0.77 -1.58 114.93 117.88 9ica h MET 18 Ca 0.33 0.01 0.20 0.00 -0.61 0.00 0.00 59.70 59.63 9ica h MET 18 Cb 0.09 0.02 -0.09 0.00 0.43 0.00 0.00 31.60 32.05 9ica h MET 18 CO -0.14 0.10 0.61 -0.07 -0.40 0.00 0.00 176.91 177.01 9ica h LEU 19 N -0.25 0.58 -0.06 3.39 4.07 -1.08 0.32 115.31 122.28 9ica h LEU 19 Ca -0.01 0.07 -0.18 0.00 0.08 0.00 0.00 57.88 57.84 9ica h LEU 19 Cb 0.22 -0.04 0.01 0.00 1.08 0.00 0.00 40.66 41.93 9ica h LEU 19 CO 0.01 0.22 -0.67 0.71 -1.08 0.00 0.00 178.44 177.63 9ica h THR 20 N 0.57 1.36 -0.69 0.22 1.35 -0.98 -1.48 112.91 113.26 9ica h THR 20 Ca 0.52 -2.01 0.11 0.00 -0.55 0.00 0.00 66.41 64.49 9ica h THR 20 Cb 1.07 2.34 -0.08 0.00 -1.73 0.00 0.00 68.15 69.75 9ica h THR 20 CO -0.27 0.60 0.28 -0.33 -0.25 0.00 0.00 175.52 175.55 9ica h GLU 21 N 0.14 0.44 0.21 4.72 5.08 0.02 0.27 114.58 125.45 9ica h GLU 21 Ca -0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 9ica h GLU 21 Cb 1.34 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.49 9ica h GLU 21 CO 0.13 0.29 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.27 9ica h LEU 22 N 0.45 -0.23 -0.33 1.33 -0.00 -1.19 -2.38 115.31 112.96 9ica h LEU 22 Ca 0.36 -0.18 0.05 0.00 -0.00 0.00 0.00 57.88 58.12 9ica h LEU 22 Cb 0.48 0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 41.15 9ica h LEU 22 CO -0.34 0.05 0.03 0.00 -0.00 0.00 0.00 178.44 178.18 9ica h ALA 23 N 0.20 0.32 -0.82 1.53 0.00 -0.50 -1.73 119.26 118.27 9ica h ALA 23 Ca -0.03 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.99 9ica h ALA 23 Cb 0.40 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 9ica h ALA 23 CO 0.05 -0.38 0.53 -0.91 0.00 0.00 0.00 179.25 178.54 9ica h ASN 24 N 0.13 0.88 -0.56 0.00 2.35 -0.54 -2.57 115.58 115.27 9ica h ASN 24 Ca 0.16 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 9ica h ASN 24 Cb 0.20 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 9ica h ASN 24 CO -0.24 0.62 0.35 0.15 -1.65 0.00 0.00 177.43 176.66 9ica h PHE 25 N 1.04 0.72 0.12 1.19 3.04 -0.78 -2.31 116.94 119.97 9ica h PHE 25 Ca 0.32 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.27 9ica h PHE 25 Cb -0.03 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.24 9ica h PHE 25 CO -0.02 0.48 -0.06 0.93 -2.02 0.00 0.00 178.31 177.62 9ica h GLU 26 N 0.76 -0.16 -0.79 1.11 4.39 -1.09 -1.56 114.58 117.23 9ica h GLU 26 Ca 0.20 0.01 0.10 0.00 0.34 0.00 0.00 59.36 60.02 9ica h GLU 26 Cb -0.05 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.58 9ica h GLU 26 CO -0.04 -0.08 0.52 -0.22 -1.16 0.00 0.00 179.01 178.02 9ica h LYS 27 N -0.18 0.68 0.00 2.33 1.63 -1.41 -2.33 116.57 117.29 9ica h LYS 27 Ca -0.02 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 9ica h LYS 27 Cb 0.14 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 9ica h LYS 27 CO 0.03 0.45 0.00 0.09 -3.45 0.00 0.00 179.45 176.56 9ica n ASN 28 N -4.51 0.00 -0.29 4.20 5.03 -0.88 -4.70 115.26 114.11 9ica n ASN 28 Ca 0.14 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.48 9ica n ASN 28 Cb 0.35 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 39.04 9ica n ASN 28 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 9ica h VAL 29 N 0.00 0.02 -3.79 2.41 2.07 -1.48 -3.41 116.25 112.07 9ica h VAL 29 Ca 0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 9ica h VAL 29 Cb 0.00 0.02 0.02 0.00 -1.52 0.00 0.00 31.29 29.81 9ica h VAL 29 CO 0.00 0.00 0.03 -1.54 0.02 0.00 0.00 177.57 176.08 9ica n SER 30 N -5.35 0.32 -2.66 0.57 3.41 -1.14 -4.99 113.62 103.78 9ica n SER 30 Ca 0.01 -1.27 -0.23 0.00 -0.26 0.00 0.00 58.87 57.12 9ica n SER 30 Cb 0.32 -0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.11 9ica n SER 30 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 9ica n GLN 31 N -1.43 2.84 -2.59 4.33 7.27 -1.20 -4.42 117.38 122.18 9ica n GLN 31 Ca 0.04 -4.30 -0.41 0.00 0.07 0.00 0.00 57.00 52.39 9ica n GLN 31 Cb 0.14 -2.04 0.02 0.00 2.41 0.00 0.00 30.24 30.76 9ica n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 9ica n ALA 32 N -0.31 6.13 -0.31 1.69 0.00 -0.89 -4.82 120.51 122.01 9ica n ALA 32 Ca 0.31 -4.57 0.15 0.00 0.00 0.00 0.00 53.44 49.34 9ica n ALA 32 Cb 0.63 -2.24 0.33 0.00 0.00 0.00 0.00 19.45 18.17 9ica n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 9ica h ILE 33 N 2.26 0.34 0.29 0.00 6.09 -1.90 2.72 117.51 127.30 9ica h ILE 33 Ca 0.55 -0.09 -0.01 0.00 -1.37 0.00 0.00 64.86 63.93 9ica h ILE 33 Cb 0.32 0.05 0.00 0.00 0.47 0.00 0.00 36.82 37.66 9ica h ILE 33 CO 1.21 0.05 -0.14 0.45 -3.07 0.00 0.00 178.15 176.65 9ica h HIS 34 N 0.27 -0.36 -0.91 2.19 3.86 -1.97 0.64 115.15 118.86 9ica h HIS 34 Ca 0.59 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.78 9ica h HIS 34 Cb 1.23 0.12 -0.04 0.00 1.06 0.00 0.00 27.41 29.77 9ica h HIS 34 CO -0.18 -0.08 0.52 0.87 0.86 0.00 0.00 177.93 179.91 9ica h LYS 35 N -0.61 1.26 -0.22 2.45 1.57 -1.52 0.51 116.57 120.01 9ica h LYS 35 Ca -0.04 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 9ica h LYS 35 Cb 0.44 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 9ica h LYS 35 CO 0.06 0.91 0.06 -0.92 -0.57 0.00 0.00 179.45 179.00 9ica h TYR 36 N 1.27 0.37 0.00 -1.35 3.20 0.48 -1.42 116.97 119.53 9ica h TYR 36 Ca 0.32 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 9ica h TYR 36 Cb 0.00 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.16 9ica h TYR 36 CO 0.01 0.44 -0.13 -0.97 -1.64 0.00 0.00 178.16 175.87 9ica h ASN 37 N 0.19 0.00 0.01 -2.11 -0.00 0.14 -2.89 115.58 110.92 9ica h ASN 37 Ca 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.37 9ica h ASN 37 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.57 9ica h ASN 37 CO -0.00 0.13 -0.00 0.00 -0.00 0.00 0.00 177.43 177.55 9ica h ALA 38 N 1.87 -0.01 0.00 1.57 0.00 0.87 -3.03 119.26 120.54 9ica h ALA 38 Ca -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 9ica h ALA 38 Cb 0.42 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 9ica h ALA 38 CO 0.02 -0.35 -0.12 1.88 0.00 0.00 0.00 179.25 180.68 9ica h TYR 39 N -0.33 0.00 0.16 0.00 0.05 -1.08 -2.66 116.97 113.11 9ica h TYR 39 Ca -0.00 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.52 9ica h TYR 39 Cb 0.32 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.08 9ica h TYR 39 CO 0.03 0.12 -1.21 0.07 -1.05 0.00 0.00 178.16 176.12 9ica h ARG 40 N 0.00 0.35 -0.57 4.88 0.11 -1.57 0.97 114.38 118.56 9ica h ARG 40 Ca -0.00 -0.60 -0.02 0.00 0.10 0.00 0.00 59.98 59.47 9ica h ARG 40 Cb 0.22 0.22 -0.03 0.00 1.11 0.00 0.00 29.97 31.50 9ica h ARG 40 CO 0.02 1.29 0.29 1.57 0.10 0.00 0.00 179.97 183.23 9ica h LYS 41 N -0.20 0.79 0.71 0.08 -0.00 -1.51 1.20 116.57 117.64 9ica h LYS 41 Ca -0.23 -0.09 -0.03 0.00 -0.00 0.00 0.00 60.65 60.29 9ica h LYS 41 Cb 1.84 -0.16 0.01 0.00 -0.00 0.00 0.00 32.23 33.92 9ica h LYS 41 CO 0.16 0.60 -0.34 0.00 -0.00 0.00 0.00 179.45 179.87 9ica h ALA 42 N 1.52 -1.22 -0.75 0.07 0.00 -1.52 -1.73 119.26 115.63 9ica h ALA 42 Ca 0.20 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 55.09 9ica h ALA 42 Cb 0.06 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 9ica h ALA 42 CO -0.03 -1.15 0.52 0.00 0.00 0.00 0.00 179.25 178.58 9ica h ALA 43 N -1.54 2.42 -0.33 0.00 0.00 -0.11 -2.08 119.26 117.62 9ica h ALA 43 Ca -0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 9ica h ALA 43 Cb 0.73 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 9ica h ALA 43 CO 0.16 -0.64 0.15 1.03 0.00 0.00 0.00 179.25 179.95 9ica h SER 44 N 0.19 0.44 0.09 0.00 0.87 0.21 -3.12 113.55 112.23 9ica h SER 44 Ca 0.37 -0.14 -0.25 0.00 -1.23 0.00 0.00 61.79 60.53 9ica h SER 44 Cb 1.16 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 63.02 9ica h SER 44 CO -0.07 0.46 -0.98 -0.37 -0.53 0.00 0.00 176.83 175.34 9ica h VAL 45 N 0.39 1.31 0.00 2.23 -1.51 -0.63 -3.24 116.25 114.80 9ica h VAL 45 Ca 0.11 -2.27 -0.02 0.00 -1.23 0.00 0.00 66.70 63.30 9ica h VAL 45 Cb 0.14 2.34 -0.00 0.00 -2.13 0.00 0.00 31.29 31.64 9ica h VAL 45 CO -0.01 0.70 -0.07 0.16 -1.23 0.00 0.00 177.57 177.11 9ica h ILE 46 N 0.36 0.35 -0.30 7.19 3.07 -1.60 -1.73 117.51 124.86 9ica h ILE 46 Ca -0.11 -0.42 -0.18 0.00 1.55 0.00 0.00 64.86 65.70 9ica h ILE 46 Cb 1.63 1.31 -0.00 0.00 -0.27 0.00 0.00 36.82 39.48 9ica h ILE 46 CO 0.19 0.07 -0.51 0.00 -1.05 0.00 0.00 178.15 176.85 9ica h ALA 47 N 1.93 0.53 0.00 0.16 0.00 -1.57 -3.02 119.26 117.29 9ica h ALA 47 Ca -0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 9ica h ALA 47 Cb 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 9ica h ALA 47 CO 0.01 0.68 -0.07 0.87 0.00 0.00 0.00 179.25 180.74 9ica h LYS 48 N 0.66 0.00 -6.30 0.00 1.57 -1.38 -3.32 116.57 107.80 9ica h LYS 48 Ca 0.02 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.26 9ica h LYS 48 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 9ica h LYS 48 CO 0.11 0.07 0.96 -0.47 -0.57 0.00 0.00 179.45 179.56 9ica s TYR 49 N -3.46 2.46 -1.74 -1.35 5.04 -0.85 -4.86 117.35 112.59 9ica s TYR 49 Ca 0.03 0.56 0.00 0.00 -2.44 0.00 0.00 57.07 55.22 9ica s TYR 49 Cb 0.08 -3.76 0.00 0.00 0.35 0.00 0.00 41.96 38.62 9ica s TYR 49 CO 0.62 -3.01 0.47 -0.35 -1.34 0.00 0.00 175.55 171.94 9ica n PRO 50 N 6.30 0.54 -3.65 4.97 -0.04 -1.26 -4.80 135.00 137.06 9ica n PRO 50 Ca 0.15 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.46 9ica n PRO 50 Cb 0.43 -1.07 -0.08 0.00 -0.04 0.00 0.00 33.50 32.74 9ica n PRO 50 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 9ica s HIS 51 N -1.74 -0.56 -0.37 0.54 3.76 -1.26 -5.08 115.29 110.58 9ica s HIS 51 Ca 0.00 1.20 -0.28 0.00 -0.15 0.00 0.00 55.06 55.83 9ica s HIS 51 Cb 0.00 0.25 -0.07 0.00 1.11 0.00 0.00 32.58 33.87 9ica s HIS 51 CO 0.00 -0.40 2.32 1.63 -0.85 0.00 0.00 174.74 177.44 9ica n LYS 52 N 1.99 1.43 -1.73 1.40 5.02 -1.26 -4.85 118.16 120.16 9ica n LYS 52 Ca -0.17 0.26 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 9ica n LYS 52 Cb 0.56 -3.22 -0.03 0.00 -0.02 0.00 0.00 35.03 32.33 9ica n LYS 52 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 9ica s ILE 53 N 9.98 3.15 -1.19 -0.18 1.01 -1.26 -4.85 121.20 127.87 9ica s ILE 53 Ca 1.02 0.16 0.24 0.00 0.00 0.00 0.00 60.65 62.07 9ica s ILE 53 Cb -0.34 -3.19 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 9ica s ILE 53 CO 0.33 -0.11 1.29 0.29 0.00 0.00 0.00 174.94 176.73 9ica n LYS 54 N 8.53 0.21 -3.81 2.79 4.01 -1.26 -5.00 118.16 123.63 9ica n LYS 54 Ca 0.27 -0.14 -0.05 0.00 -0.51 0.00 0.00 58.31 57.87 9ica n LYS 54 Cb 0.45 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.46 9ica n LYS 54 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 9ica s SER 55 N -2.89 -0.18 0.00 4.39 1.04 -1.26 -5.02 113.70 109.78 9ica s SER 55 Ca 0.13 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.00 9ica s SER 55 Cb 0.17 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.91 9ica s SER 55 CO 0.71 -1.14 0.56 0.61 0.98 0.00 0.00 173.24 174.96 9ica n GLY 56 N -0.49 -3.13 0.68 7.32 0.00 -1.26 -1.61 105.19 106.70 9ica n GLY 56 Ca -0.05 0.25 0.52 0.00 0.00 0.00 0.00 46.02 46.74 9ica n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9ica n ALA 57 N -0.88 1.83 -0.01 4.61 0.00 -1.26 0.16 120.51 124.96 9ica n ALA 57 Ca 0.00 0.69 -0.12 0.00 0.00 0.00 0.00 53.44 54.00 9ica n ALA 57 Cb 0.00 -1.13 -0.08 0.00 0.00 0.00 0.00 19.45 18.24 9ica n ALA 57 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 9ica h GLU 58 N 0.00 0.07 -0.39 0.00 4.81 -1.86 -2.39 114.58 114.83 9ica h GLU 58 Ca 0.93 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 60.08 9ica h GLU 58 Cb 3.65 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 33.01 9ica h GLU 58 CO -0.08 0.37 0.01 0.00 -0.73 0.00 0.00 179.01 178.57 9ica h ALA 59 N 0.70 0.52 -1.05 2.92 0.00 0.25 -2.95 119.26 119.65 9ica h ALA 59 Ca 0.01 -0.25 0.39 0.00 0.00 0.00 0.00 54.91 55.06 9ica h ALA 59 Cb 0.34 -0.14 -0.14 0.00 0.00 0.00 0.00 17.79 17.84 9ica h ALA 59 CO 0.00 0.29 0.63 1.17 0.00 0.00 0.00 179.25 181.34 9ica n LYS 60 N -4.47 -0.04 0.34 0.00 4.81 0.19 0.24 118.16 119.22 9ica n LYS 60 Ca -0.01 1.15 0.21 0.00 -0.87 0.00 0.00 58.31 58.79 9ica n LYS 60 Cb 0.28 -2.16 1.12 0.00 0.02 0.00 0.00 35.03 34.29 9ica n LYS 60 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 9ica h LYS 61 N 0.00 0.00 -7.16 1.64 1.57 -1.24 -3.43 116.57 107.94 9ica h LYS 61 Ca 0.76 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 59.06 9ica h LYS 61 Cb 2.24 0.00 0.03 0.00 0.08 0.00 0.00 32.23 34.58 9ica h LYS 61 CO -0.53 0.00 0.37 -0.51 -0.57 0.00 0.00 179.45 178.22 9ica s LEU 62 N -6.11 3.64 0.02 2.94 1.02 0.66 -5.00 118.68 115.85 9ica s LEU 62 Ca -0.05 1.73 -0.30 0.00 0.02 0.00 0.00 54.13 55.53 9ica s LEU 62 Cb 0.12 -4.53 -0.05 0.00 0.02 0.00 0.00 46.19 41.75 9ica s LEU 62 CO 0.38 -0.82 1.23 -2.84 0.02 0.00 0.00 176.35 174.32 9ica s PRO 63 N -3.86 4.39 0.00 1.29 0.01 -1.26 -1.37 135.00 134.20 9ica s PRO 63 Ca 0.62 1.78 0.00 0.00 0.01 0.00 0.00 61.00 63.41 9ica s PRO 63 Cb -0.13 -3.43 0.00 0.00 0.01 0.00 0.00 34.50 30.95 9ica s PRO 63 CO 0.30 -0.35 0.00 0.41 0.01 0.00 0.00 177.00 177.37 9ica n GLY 64 N 3.32 2.63 3.55 0.52 0.00 -1.26 -4.81 105.19 109.14 9ica n GLY 64 Ca 0.10 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 9ica n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 9ica s VAL 65 N -2.33 4.65 0.30 1.61 -7.23 -0.47 -4.77 120.40 112.16 9ica s VAL 65 Ca 0.00 0.49 0.01 0.00 -1.81 0.00 0.00 61.98 60.67 9ica s VAL 65 Cb 0.00 -4.31 0.06 0.00 0.56 0.00 0.00 36.38 32.68 9ica s VAL 65 CO 0.00 -0.69 0.41 0.61 -0.31 0.00 0.00 175.10 175.12 9ica n GLY 66 N 4.94 1.02 0.32 2.32 0.00 -1.26 -4.71 105.19 107.81 9ica n GLY 66 Ca 0.02 -2.03 -0.01 0.00 0.00 0.00 0.00 46.02 44.00 9ica n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9ica h THR 67 N -0.35 1.20 -0.26 2.61 1.03 -1.96 -2.13 112.91 113.07 9ica h THR 67 Ca -0.13 -0.59 -0.15 0.00 -0.01 0.00 0.00 66.41 65.53 9ica h THR 67 Cb 0.52 0.44 -0.00 0.00 -1.07 0.00 0.00 68.15 68.05 9ica h THR 67 CO 0.15 0.24 -0.41 0.11 -0.01 0.00 0.00 175.52 175.61 9ica h LYS 68 N 0.86 0.73 -0.12 0.00 1.57 -1.99 -2.32 116.57 115.30 9ica h LYS 68 Ca 0.21 -0.44 -0.22 0.00 -1.87 0.00 0.00 60.65 58.32 9ica h LYS 68 Cb 0.11 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.48 9ica h LYS 68 CO -0.03 1.07 -0.81 0.82 -0.57 0.00 0.00 179.45 179.93 9ica h ILE 69 N 0.46 1.30 -0.18 1.86 2.04 -1.93 -3.02 117.51 118.04 9ica h ILE 69 Ca 0.02 -2.05 0.05 0.00 1.00 0.00 0.00 64.86 63.88 9ica h ILE 69 Cb 1.01 2.06 -0.05 0.00 -0.74 0.00 0.00 36.82 39.10 9ica h ILE 69 CO 0.09 0.64 -0.16 0.00 0.00 0.00 0.00 178.15 178.73 9ica h ALA 70 N 0.61 -0.03 -1.02 1.87 0.00 -1.39 -0.08 119.26 119.21 9ica h ALA 70 Ca -0.06 0.07 0.25 0.00 0.00 0.00 0.00 54.91 55.17 9ica h ALA 70 Cb 1.43 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 19.46 9ica h ALA 70 CO 0.16 -0.59 0.65 1.49 0.00 0.00 0.00 179.25 180.97 9ica h GLU 71 N -0.17 0.42 -0.10 0.00 4.81 -1.43 0.34 114.58 118.46 9ica h GLU 71 Ca 0.11 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 9ica h GLU 71 Cb 0.34 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.62 9ica h GLU 71 CO -0.28 0.28 -0.18 0.87 -0.73 0.00 0.00 179.01 178.97 9ica h LYS 72 N 0.43 0.29 -0.91 1.92 1.57 -0.93 -2.94 116.57 116.00 9ica h LYS 72 Ca 0.59 -0.18 0.10 0.00 -1.87 0.00 0.00 60.65 59.28 9ica h LYS 72 Cb 1.41 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.67 9ica h LYS 72 CO -0.30 0.77 0.55 0.82 -0.57 0.00 0.00 179.45 180.72 9ica h ILE 73 N -0.16 0.94 0.34 1.86 2.04 0.52 -1.55 117.51 121.51 9ica h ILE 73 Ca 0.01 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 9ica h ILE 73 Cb 0.75 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 9ica h ILE 73 CO 0.04 0.17 -0.29 0.44 0.00 0.00 0.00 178.15 178.50 9ica h ASP 74 N 0.92 -0.78 -0.88 1.72 3.32 -0.35 0.22 116.42 120.60 9ica h ASP 74 Ca 0.43 0.06 0.10 0.00 0.02 0.00 0.00 57.03 57.65 9ica h ASP 74 Cb 0.37 0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.11 9ica h ASP 74 CO -0.24 -0.43 0.57 -0.08 -1.72 0.00 0.00 179.24 177.34 9ica h GLU 75 N -0.65 0.82 -0.19 3.56 4.81 -1.22 0.78 114.58 122.49 9ica h GLU 75 Ca -0.02 -0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 58.95 9ica h GLU 75 Cb 0.57 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.78 9ica h GLU 75 CO -0.03 0.55 -0.69 0.35 -0.73 0.00 0.00 179.01 178.45 9ica h PHE 76 N 0.85 1.06 -0.23 0.92 3.57 -1.08 0.12 116.94 122.15 9ica h PHE 76 Ca 0.41 -0.44 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 9ica h PHE 76 Cb 0.45 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 9ica h PHE 76 CO -0.00 1.27 -0.04 -0.07 -2.23 0.00 0.00 178.31 177.24 9ica h LEU 77 N 0.55 0.43 0.65 0.59 4.07 0.86 -3.23 115.31 119.24 9ica h LEU 77 Ca -0.03 -0.35 -0.02 0.00 0.08 0.00 0.00 57.88 57.56 9ica h LEU 77 Cb 1.32 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 9ica h LEU 77 CO 0.15 0.68 -0.50 0.00 -1.08 0.00 0.00 178.44 177.68 9ica h ALA 78 N 0.77 -1.21 -3.70 1.53 0.00 0.54 -3.43 119.26 113.75 9ica h ALA 78 Ca 0.06 -0.22 -0.67 0.00 0.00 0.00 0.00 54.91 54.08 9ica h ALA 78 Cb 0.48 0.67 -0.18 0.00 0.00 0.00 0.00 17.79 18.76 9ica h ALA 78 CO 0.02 -1.21 -0.77 0.95 0.00 0.00 0.00 179.25 178.25 9ica s THR 79 N -5.91 3.13 -2.00 0.00 -4.23 0.40 -5.01 115.64 102.02 9ica s THR 79 Ca -0.19 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 9ica s THR 79 Cb 0.04 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.47 9ica s THR 79 CO 0.60 0.19 0.21 0.61 -0.54 0.00 0.00 174.62 175.70 9ica n GLY 80 N 1.03 -0.21 3.28 3.99 0.00 -1.25 -4.02 105.19 108.01 9ica n GLY 80 Ca -0.15 -0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 9ica n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 9ica s LYS 81 N -2.00 1.46 -0.04 1.61 -0.14 -1.26 -5.04 119.74 114.34 9ica s LYS 81 Ca 0.00 -1.81 0.05 0.00 -1.36 0.00 0.00 55.97 52.85 9ica s LYS 81 Cb 0.00 0.05 -0.01 0.00 -1.68 0.00 0.00 37.83 36.20 9ica s LYS 81 CO 0.00 -0.44 -0.18 -1.17 -0.76 0.00 0.00 175.35 172.80 9ica s LEU 82 N -3.30 1.96 -0.03 3.17 2.96 -1.26 -3.81 118.68 118.37 9ica s LEU 82 Ca 0.38 -0.36 -0.17 0.00 -0.22 0.00 0.00 54.13 53.76 9ica s LEU 82 Cb 0.06 -0.99 -0.10 0.00 0.50 0.00 0.00 46.19 45.65 9ica s LEU 82 CO 0.17 0.18 0.72 -0.09 -1.32 0.00 0.00 176.35 176.01 9ica h ARG 83 N 6.07 -0.51 -1.04 1.98 2.43 -1.98 -1.76 114.38 119.56 9ica h ARG 83 Ca -0.34 0.03 0.31 0.00 -0.81 0.00 0.00 59.98 59.17 9ica h ARG 83 Cb 1.17 0.12 -0.13 0.00 -0.42 0.00 0.00 29.97 30.70 9ica h ARG 83 CO 0.48 -0.28 0.62 -0.22 -1.51 0.00 0.00 179.97 179.05 9ica h LYS 84 N -1.10 0.35 -0.53 0.20 3.64 -1.98 2.20 116.57 119.35 9ica h LYS 84 Ca -0.05 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 9ica h LYS 84 Cb 0.46 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 9ica h LYS 84 CO 0.09 0.23 -0.05 1.25 -2.27 0.00 0.00 179.45 178.70 9ica h LEU 85 N 0.37 0.97 -0.53 5.20 5.85 -1.99 -2.64 115.31 122.54 9ica h LEU 85 Ca 0.70 -0.33 -0.11 0.00 0.84 0.00 0.00 57.88 58.99 9ica h LEU 85 Cb 1.65 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 9ica h LEU 85 CO -0.51 1.07 -0.09 1.05 -0.34 0.00 0.00 178.44 179.61 9ica h GLU 86 N 0.85 0.99 0.00 1.25 4.11 0.41 -1.46 114.58 120.74 9ica h GLU 86 Ca 0.14 -0.37 0.00 0.00 0.07 0.00 0.00 59.36 59.21 9ica h GLU 86 Cb 0.60 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 9ica h GLU 86 CO 0.04 1.04 -0.02 -0.22 0.07 0.00 0.00 179.01 179.93 9ica h LYS 87 N 0.87 -0.03 -0.11 1.06 3.64 0.73 -2.91 116.57 119.82 9ica h LYS 87 Ca 0.14 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 9ica h LYS 87 Cb 0.66 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 9ica h LYS 87 CO 0.05 -0.02 0.02 0.82 -2.27 0.00 0.00 179.45 178.05 9ica h ILE 88 N -0.03 1.20 -0.90 2.00 2.04 -1.50 -2.02 117.51 118.30 9ica h ILE 88 Ca 0.01 -0.63 0.26 0.00 1.00 0.00 0.00 64.86 65.50 9ica h ILE 88 Cb 0.04 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 9ica h ILE 88 CO -0.02 0.18 0.64 -0.09 0.00 0.00 0.00 178.15 178.87 9ica h ARG 89 N -0.03 0.03 0.00 2.37 1.12 -1.27 -2.47 114.38 114.13 9ica h ARG 89 Ca 0.03 -0.00 -0.14 0.00 -1.11 0.00 0.00 59.98 58.76 9ica h ARG 89 Cb 0.26 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.19 9ica h ARG 89 CO 0.00 0.02 -0.80 1.96 -3.11 0.00 0.00 179.97 178.04 9ica h GLN 90 N 0.03 0.00 -5.81 0.20 4.20 -1.30 -3.49 115.11 108.94 9ica h GLN 90 Ca 0.43 0.00 -0.83 0.00 0.06 0.00 0.00 58.65 58.31 9ica h GLN 90 Cb 1.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.45 9ica h GLN 90 CO -0.02 0.94 0.78 -3.47 -0.67 0.00 0.00 178.83 176.39 9ica n ASP 91 N -4.50 1.09 -0.34 1.46 2.03 -0.78 -4.91 116.55 110.60 9ica n ASP 91 Ca -0.23 1.06 -0.04 0.00 0.52 0.00 0.00 54.79 56.10 9ica n ASP 91 Cb 0.59 -0.86 0.09 0.00 -0.72 0.00 0.00 41.12 40.22 9ica n ASP 91 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 9ica h ASP 92 N 5.58 1.10 0.28 1.67 2.03 -1.93 -1.09 116.42 124.07 9ica h ASP 92 Ca -0.36 -0.08 -0.01 0.00 -0.73 0.00 0.00 57.03 55.84 9ica h ASP 92 Cb 1.34 -0.28 -0.00 0.00 -0.83 0.00 0.00 39.33 39.55 9ica h ASP 92 CO 0.97 0.87 -0.17 0.74 -1.03 0.00 0.00 179.24 180.61 9ica h THR 93 N 1.25 0.63 -0.28 1.15 2.02 -1.95 0.58 112.91 116.31 9ica h THR 93 Ca 0.32 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.46 9ica h THR 93 Cb -0.02 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 9ica h THR 93 CO -0.06 0.00 0.00 0.77 0.37 0.00 0.00 175.52 176.61 9ica h SER 94 N -0.44 0.39 -0.52 4.18 4.64 -1.88 -1.34 113.55 118.58 9ica h SER 94 Ca -0.03 -0.06 0.06 0.00 -0.47 0.00 0.00 61.79 61.29 9ica h SER 94 Cb 0.37 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.30 9ica h SER 94 CO 0.03 0.46 0.23 0.28 -0.87 0.00 0.00 176.83 176.95 9ica h SER 95 N 0.41 0.28 -0.68 4.97 0.02 -0.05 -2.11 113.55 116.39 9ica h SER 95 Ca 0.09 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 9ica h SER 95 Cb 0.27 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 9ica h SER 95 CO 0.01 0.19 0.15 0.28 -1.14 0.00 0.00 176.83 176.31 9ica h SER 96 N 0.43 1.06 -0.60 3.07 0.02 0.93 -2.60 113.55 115.87 9ica h SER 96 Ca 0.25 -0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 9ica h SER 96 Cb 0.22 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 9ica h SER 96 CO -0.22 1.02 0.06 0.40 -1.14 0.00 0.00 176.83 176.95 9ica h ILE 97 N 1.05 1.26 -0.22 3.27 2.04 -0.81 -1.49 117.51 122.62 9ica h ILE 97 Ca 0.21 -1.06 0.03 0.00 1.00 0.00 0.00 64.86 65.04 9ica h ILE 97 Cb 0.39 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 9ica h ILE 97 CO 0.01 0.39 0.15 0.78 0.00 0.00 0.00 178.15 179.47 9ica h ASN 98 N 0.92 0.15 0.04 1.72 4.21 -1.18 -2.74 115.58 118.70 9ica h ASN 98 Ca 0.18 -0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.68 9ica h ASN 98 Cb 0.48 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 9ica h ASN 98 CO 0.02 0.10 -0.02 0.15 -1.29 0.00 0.00 177.43 176.39 9ica h PHE 99 N 0.17 -0.05 -1.02 1.19 3.04 -1.12 -3.37 116.94 115.78 9ica h PHE 99 Ca 0.09 -0.00 0.29 0.00 3.98 0.00 0.00 57.97 62.33 9ica h PHE 99 Cb 0.16 0.02 -0.13 0.00 2.56 0.00 0.00 35.95 38.55 9ica h PHE 99 CO -0.00 -0.03 0.61 -0.07 -2.02 0.00 0.00 178.31 176.79 9ica h LEU 100 N -0.85 0.57 -1.98 0.59 4.07 -1.29 0.15 115.31 116.57 9ica h LEU 100 Ca -0.01 0.15 0.26 0.00 0.08 0.00 0.00 57.88 58.37 9ica h LEU 100 Cb 0.04 0.08 -0.04 0.00 1.08 0.00 0.00 40.66 41.82 9ica h LEU 100 CO 0.01 -0.01 0.65 0.74 -1.08 0.00 0.00 178.44 178.74 9ica h THR 101 N 0.43 0.55 0.00 0.22 2.02 -1.65 -0.39 112.91 114.10 9ica h THR 101 Ca 0.69 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.84 9ica h THR 101 Cb 1.51 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.45 9ica h THR 101 CO -0.51 0.00 -0.07 0.03 0.37 0.00 0.00 175.52 175.34 9ica h ARG 102 N 0.02 0.00 -6.61 6.66 3.08 -0.86 -3.42 114.38 113.25 9ica h ARG 102 Ca 0.43 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.96 9ica h ARG 102 Cb 1.70 0.00 0.05 0.00 0.08 0.00 0.00 29.97 31.79 9ica h ARG 102 CO -0.01 0.07 0.91 0.08 -1.07 0.00 0.00 179.97 179.95 9ica s VAL 103 N -4.43 2.52 -0.13 2.04 1.01 -0.16 -4.87 120.40 116.38 9ica s VAL 103 Ca -0.04 0.36 -0.29 0.00 0.00 0.00 0.00 61.98 62.01 9ica s VAL 103 Cb 0.14 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 9ica s VAL 103 CO 0.58 0.03 1.68 -0.55 0.00 0.00 0.00 175.10 176.83 9ica s SER 104 N 1.21 6.47 0.00 3.32 0.15 -1.26 -0.69 113.70 122.89 9ica s SER 104 Ca 0.71 1.96 0.00 0.00 0.70 0.00 0.00 55.95 59.33 9ica s SER 104 Cb -0.45 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.33 9ica s SER 104 CO 0.31 -1.13 0.00 0.61 1.20 0.00 0.00 173.24 174.24 9ica n GLY 105 N 4.45 1.68 3.50 9.45 0.00 -1.26 -3.77 105.19 119.25 9ica n GLY 105 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 9ica n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 9ica s ILE 106 N -2.09 5.19 0.58 -0.61 1.01 0.13 -4.73 121.20 120.69 9ica s ILE 106 Ca 0.00 -0.33 0.07 0.00 0.00 0.00 0.00 60.65 60.39 9ica s ILE 106 Cb 0.00 -3.71 0.10 0.00 0.01 0.00 0.00 42.46 38.86 9ica s ILE 106 CO 0.00 -0.06 0.81 0.61 0.00 0.00 0.00 174.94 176.30 9ica n GLY 107 N 5.10 1.65 0.33 6.18 0.00 -1.26 -4.47 105.19 112.72 9ica n GLY 107 Ca -0.12 -2.18 -0.01 0.00 0.00 0.00 0.00 46.02 43.71 9ica n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 9ica h PRO 108 N 0.00 0.95 -0.00 1.61 0.11 -1.94 0.37 132.00 133.10 9ica h PRO 108 Ca -0.27 -0.10 0.02 0.00 0.11 0.00 0.00 66.00 65.75 9ica h PRO 108 Cb 1.18 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 9ica h PRO 108 CO 0.36 0.70 -0.39 1.03 -0.21 0.00 0.00 178.00 179.49 9ica h SER 109 N 0.95 -1.21 -0.15 -2.05 0.87 -1.94 0.89 113.55 110.92 9ica h SER 109 Ca 0.24 0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.87 9ica h SER 109 Cb 0.03 0.46 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 9ica h SER 109 CO -0.04 -0.38 -0.11 0.00 -0.53 0.00 0.00 176.83 175.77 9ica h ALA 110 N -0.72 1.25 -0.34 6.23 0.00 -1.92 -2.42 119.26 121.35 9ica h ALA 110 Ca 0.01 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.71 9ica h ALA 110 Cb 0.53 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 9ica h ALA 110 CO -0.26 0.49 0.06 0.00 0.00 0.00 0.00 179.25 179.54 9ica h ALA 111 N 1.42 0.35 -0.25 0.00 0.00 0.42 0.18 119.26 121.37 9ica h ALA 111 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 9ica h ALA 111 Cb 0.48 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 9ica h ALA 111 CO 0.03 -0.34 0.16 0.00 0.00 0.00 0.00 179.25 179.09 9ica h ARG 112 N 0.18 0.34 -0.59 0.00 3.08 0.10 -1.14 114.38 116.34 9ica h ARG 112 Ca 0.16 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.25 9ica h ARG 112 Cb 0.18 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 9ica h ARG 112 CO -0.21 0.25 0.29 -0.22 -1.07 0.00 0.00 179.97 179.00 9ica h LYS 113 N 0.33 0.51 -0.38 0.04 3.64 -0.84 0.14 116.57 120.01 9ica h LYS 113 Ca 0.09 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 9ica h LYS 113 Cb -0.01 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 9ica h LYS 113 CO -0.02 0.34 0.22 0.74 -2.27 0.00 0.00 179.45 178.46 9ica h PHE 114 N 0.53 0.52 -0.77 1.91 0.04 -0.50 -1.82 116.94 116.84 9ica h PHE 114 Ca 0.28 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 61.15 9ica h PHE 114 Cb 0.24 -0.17 -0.08 0.00 2.20 0.00 0.00 35.95 38.14 9ica h PHE 114 CO -0.12 0.39 0.39 0.28 -0.60 0.00 0.00 178.31 178.65 9ica h VAL 115 N 0.49 0.81 -0.93 -0.55 2.07 -0.42 0.35 116.25 118.08 9ica h VAL 115 Ca 0.14 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.51 9ica h VAL 115 Cb 0.04 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 29.87 9ica h VAL 115 CO -0.02 0.11 0.58 0.44 0.02 0.00 0.00 177.57 178.70 9ica h ASP 116 N 0.62 0.91 1.31 0.57 5.19 -0.32 0.24 116.42 124.94 9ica h ASP 116 Ca 0.39 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.82 9ica h ASP 116 Cb 0.47 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.81 9ica h ASP 116 CO -0.30 0.56 0.00 -0.33 -3.12 0.00 0.00 179.24 176.05 9ica h GLU 117 N 1.04 0.00 0.00 3.56 5.08 -0.35 -3.46 114.58 120.44 9ica h GLU 117 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 9ica h GLU 117 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 9ica h GLU 117 CO -0.19 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.23 9ica n GLY 118 N 0.94 1.06 3.54 -3.84 0.00 0.83 -5.02 105.19 102.70 9ica n GLY 118 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 9ica n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 9ica s ILE 119 N -2.00 4.63 -0.09 -0.61 -1.09 0.10 -4.75 121.20 117.39 9ica s ILE 119 Ca 0.00 0.47 -0.01 0.00 -2.23 0.00 0.00 60.65 58.88 9ica s ILE 119 Cb 0.00 -4.34 -0.05 0.00 -1.58 0.00 0.00 42.46 36.49 9ica s ILE 119 CO 0.00 -0.73 -0.09 0.29 -1.23 0.00 0.00 174.94 173.17 9ica n LYS 120 N 6.77 0.21 -2.92 2.79 5.02 -1.26 -3.30 118.16 125.48 9ica n LYS 120 Ca 0.03 0.06 -0.19 0.00 -2.02 0.00 0.00 58.31 56.19 9ica n LYS 120 Cb 0.48 -1.05 0.04 0.00 -0.02 0.00 0.00 35.03 34.49 9ica n LYS 120 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 9ica s THR 121 N -2.17 2.55 0.32 -0.18 -4.23 -1.26 -4.69 115.64 105.97 9ica s THR 121 Ca -0.12 -0.91 0.09 0.00 -1.18 0.00 0.00 61.69 59.57 9ica s THR 121 Cb 0.04 -2.65 0.05 0.00 1.34 0.00 0.00 72.50 71.28 9ica s THR 121 CO 0.19 0.00 1.73 0.25 -0.54 0.00 0.00 174.62 176.25 9ica h LEU 122 N 0.26 0.14 -0.03 4.79 6.46 -1.97 0.19 115.31 125.14 9ica h LEU 122 Ca -0.36 -0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.31 9ica h LEU 122 Cb 1.28 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.17 9ica h LEU 122 CO 0.44 0.55 -0.10 -0.33 -0.62 0.00 0.00 178.44 178.38 9ica h GLU 123 N 0.12 0.13 -0.80 1.25 5.08 -2.00 -2.50 114.58 115.86 9ica h GLU 123 Ca 0.01 -0.09 0.18 0.00 -1.00 0.00 0.00 59.36 58.45 9ica h GLU 123 Cb 0.79 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.00 9ica h GLU 123 CO 0.06 0.71 0.54 -0.44 -1.00 0.00 0.00 179.01 178.87 9ica h ASP 124 N -0.43 0.33 -0.51 1.42 3.32 -1.91 1.79 116.42 120.44 9ica h ASP 124 Ca -0.00 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 9ica h ASP 124 Cb 0.72 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 9ica h ASP 124 CO 0.02 0.16 0.19 -0.07 -1.72 0.00 0.00 179.24 177.82 9ica h LEU 125 N 0.35 0.75 0.05 1.55 3.38 -0.22 -3.11 115.31 118.06 9ica h LEU 125 Ca 0.40 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 9ica h LEU 125 Cb 1.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.59 9ica h LEU 125 CO -0.12 0.70 -0.02 0.03 0.09 0.00 0.00 178.44 179.12 9ica h ARG 126 N 0.80 -0.06 0.00 1.13 3.08 0.30 -3.05 114.38 116.59 9ica h ARG 126 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 9ica h ARG 126 Cb 0.21 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.27 9ica h ARG 126 CO -0.01 0.49 0.13 1.63 -1.07 0.00 0.00 179.97 181.14 9ica n LYS 127 N -4.84 0.00 -2.64 0.04 4.76 0.07 -0.89 118.16 114.66 9ica n LYS 127 Ca -0.09 0.34 -0.07 0.00 -2.87 0.00 0.00 58.31 55.62 9ica n LYS 127 Cb 0.29 -1.63 0.04 0.00 -1.84 0.00 0.00 35.03 31.89 9ica n LYS 127 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 9ica n ASN 128 N -1.33 2.35 0.15 4.39 3.02 -1.17 -4.83 115.26 117.83 9ica n ASN 128 Ca 0.00 -2.54 0.15 0.00 -0.03 0.00 0.00 54.58 52.16 9ica n ASN 128 Cb 0.13 -0.46 0.71 0.00 -0.61 0.00 0.00 39.78 39.55 9ica n ASN 128 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 9ica h GLU 129 N 2.59 0.00 -0.21 3.52 4.81 -0.91 0.17 114.58 124.55 9ica h GLU 129 Ca -0.01 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 9ica h GLU 129 Cb 1.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 9ica h GLU 129 CO 0.37 0.00 0.14 0.38 -0.73 0.00 0.00 179.01 179.17 9ica h ASP 130 N 0.00 0.20 0.76 1.04 2.03 -1.88 -2.48 116.42 116.09 9ica h ASP 130 Ca 0.12 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 9ica h ASP 130 Cb 0.51 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.96 9ica h ASP 130 CO -0.00 0.14 0.00 0.11 -1.03 0.00 0.00 179.24 178.46 9ica h LYS 131 N 0.23 0.00 -5.83 4.15 1.57 -1.33 -3.44 116.57 111.92 9ica h LYS 131 Ca 0.08 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.22 9ica h LYS 131 Cb 0.04 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 9ica h LYS 131 CO -0.02 0.00 -0.50 -0.51 -0.57 0.00 0.00 179.45 177.85 9ica s LEU 132 N -4.60 4.34 0.80 2.94 1.43 -0.94 -5.13 118.68 117.52 9ica s LEU 132 Ca 0.04 0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 53.37 9ica s LEU 132 Cb 0.09 -2.61 0.11 0.00 0.03 0.00 0.00 46.19 43.81 9ica s LEU 132 CO 0.41 0.26 1.13 0.54 0.23 0.00 0.00 176.35 178.91 9ica s ASN 133 N -1.96 4.22 0.15 2.29 4.22 -1.26 -4.76 114.94 117.85 9ica s ASN 133 Ca 0.27 0.36 -0.26 0.00 -2.14 0.00 0.00 52.86 51.09 9ica s ASN 133 Cb -0.13 -0.77 0.00 0.00 1.28 0.00 0.00 41.25 41.63 9ica s ASN 133 CO 0.19 -2.01 1.58 -0.74 -2.04 0.00 0.00 177.10 174.09 9ica h HIS 134 N -0.96 -1.13 -0.26 1.54 -0.00 -1.97 0.21 115.15 112.58 9ica h HIS 134 Ca -0.44 0.06 0.03 0.00 -0.00 0.00 0.00 60.37 60.03 9ica h HIS 134 Cb 1.29 0.54 -0.05 0.00 -0.00 0.00 0.00 27.41 29.19 9ica h HIS 134 CO -0.15 -0.43 -0.37 1.25 -0.00 0.00 0.00 177.93 178.22 9ica h HIS 135 N -0.35 -1.14 -0.14 5.26 6.17 -1.91 0.76 115.15 123.80 9ica h HIS 135 Ca 0.13 0.05 0.04 0.00 0.71 0.00 0.00 60.37 61.31 9ica h HIS 135 Cb 0.58 0.53 -0.01 0.00 2.52 0.00 0.00 27.41 31.04 9ica h HIS 135 CO -0.56 -0.33 0.13 1.96 0.71 0.00 0.00 177.93 179.83 9ica h GLN 136 N -0.28 0.00 -0.25 5.26 4.20 -1.59 0.34 115.11 122.78 9ica h GLN 136 Ca 0.05 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.58 9ica h GLN 136 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 9ica h GLN 136 CO -0.39 0.00 -0.52 0.00 -0.67 0.00 0.00 178.83 177.24 9ica h ARG 137 N 0.00 0.80 -0.38 1.46 3.08 0.29 -2.50 114.38 117.14 9ica h ARG 137 Ca 0.07 -0.53 -0.12 0.00 0.07 0.00 0.00 59.98 59.47 9ica h ARG 137 Cb 0.32 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 9ica h ARG 137 CO -0.00 1.15 -0.24 0.82 -1.07 0.00 0.00 179.97 180.64 9ica h ILE 138 N 0.56 1.28 -0.79 2.04 2.04 0.31 -1.87 117.51 121.08 9ica h ILE 138 Ca 0.01 -1.39 0.19 0.00 1.00 0.00 0.00 64.86 64.67 9ica h ILE 138 Cb 1.14 1.35 -0.12 0.00 -0.74 0.00 0.00 36.82 38.44 9ica h ILE 138 CO 0.12 0.46 0.18 1.23 0.00 0.00 0.00 178.15 180.14 9ica h GLY 139 N 0.63 1.12 1.06 5.37 0.00 -0.38 0.11 103.07 110.98 9ica h GLY 139 Ca 0.08 -0.02 -0.13 0.00 0.00 0.00 0.00 47.33 47.25 9ica h GLY 139 CO 0.07 -0.26 -0.29 -2.00 0.00 0.00 0.00 176.54 174.05 9ica h LEU 140 N 0.24 0.91 -0.60 3.11 5.85 -1.33 0.12 115.31 123.61 9ica h LEU 140 Ca 0.46 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 9ica h LEU 140 Cb 0.85 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 9ica h LEU 140 CO -0.58 1.16 0.37 0.50 -0.34 0.00 0.00 178.44 179.55 9ica h LYS 141 N 0.67 0.80 -0.66 1.25 3.64 -0.03 -2.96 116.57 119.28 9ica h LYS 141 Ca 0.07 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 9ica h LYS 141 Cb 0.87 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 9ica h LYS 141 CO 0.08 0.56 0.00 0.66 -2.27 0.00 0.00 179.45 178.48 9ica n TYR 142 N -4.64 1.32 -0.34 1.91 4.01 0.06 -4.74 117.16 114.74 9ica n TYR 142 Ca 0.04 -0.54 0.03 0.00 -0.16 0.00 0.00 57.90 57.27 9ica n TYR 142 Cb 0.04 -0.19 0.09 0.00 -0.31 0.00 0.00 39.34 38.98 9ica n TYR 142 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 9ica n PHE 143 N 1.17 0.22 0.00 -0.72 -0.00 0.42 0.31 117.46 118.86 9ica n PHE 143 Ca 0.24 1.13 0.00 0.00 -0.00 0.00 0.00 57.45 58.82 9ica n PHE 143 Cb 0.79 -0.96 0.00 0.00 -0.00 0.00 0.00 39.48 39.31 9ica n PHE 143 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 9ica n GLY 144 N -1.53 -2.01 0.66 7.13 0.00 -1.26 -3.17 105.19 105.01 9ica n GLY 144 Ca 0.13 0.00 0.47 0.00 0.00 0.00 0.00 46.02 46.62 9ica n GLY 144 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 9ica h ASP 145 N 0.00 0.00 1.13 1.61 5.19 -1.77 0.31 116.42 122.89 9ica h ASP 145 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 9ica h ASP 145 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 9ica h ASP 145 CO 0.00 0.00 0.00 -0.26 -3.12 0.00 0.00 179.24 175.86 9ica h PHE 146 N 0.00 0.00 0.00 4.55 -1.00 -0.10 -3.15 116.94 117.24 9ica h PHE 146 Ca 0.82 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 61.46 9ica h PHE 146 Cb 3.36 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 42.89 9ica h PHE 146 CO 0.00 0.00 -1.63 0.39 -1.61 0.00 0.00 178.31 175.46 9ica n GLU 147 N -2.45 0.64 -2.39 1.51 1.02 0.11 -4.96 120.64 114.11 9ica n GLU 147 Ca 0.03 0.09 -0.41 0.00 -0.02 0.00 0.00 57.16 56.85 9ica n GLU 147 Cb 0.33 -1.71 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 9ica n GLU 147 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 9ica s LYS 148 N -3.04 4.51 0.64 3.49 1.02 -1.19 -5.04 119.74 120.13 9ica s LYS 148 Ca -0.05 1.86 -0.14 0.00 0.02 0.00 0.00 55.97 57.66 9ica s LYS 148 Cb 0.09 -3.24 -0.01 0.00 -0.52 0.00 0.00 37.83 34.15 9ica s LYS 148 CO 0.83 -0.05 1.07 1.03 -0.92 0.00 0.00 175.35 177.31 9ica s ARG 149 N -0.36 3.03 -0.27 1.68 1.81 -1.26 -4.95 118.95 118.64 9ica s ARG 149 Ca 0.52 1.22 -0.12 0.00 -1.72 0.00 0.00 55.73 55.62 9ica s ARG 149 Cb -0.32 -1.99 -0.05 0.00 -0.45 0.00 0.00 34.95 32.14 9ica s ARG 149 CO 0.37 -1.04 0.23 0.42 -0.68 0.00 0.00 175.30 174.60 9ica s ILE 150 N -2.55 5.29 0.23 1.52 1.01 0.86 -4.89 121.20 122.67 9ica s ILE 150 Ca 0.63 0.27 -0.30 0.00 0.00 0.00 0.00 60.65 61.26 9ica s ILE 150 Cb -0.17 -3.57 -0.09 0.00 0.01 0.00 0.00 42.46 38.65 9ica s ILE 150 CO 0.42 0.25 1.20 -2.16 0.00 0.00 0.00 174.94 174.65 9ica s PRO 151 N 1.70 4.50 0.50 2.79 0.04 -1.26 -0.68 135.00 142.59 9ica s PRO 151 Ca 0.09 1.92 0.23 0.00 0.04 0.00 0.00 61.00 63.28 9ica s PRO 151 Cb -0.16 -3.20 1.30 0.00 0.04 0.00 0.00 34.50 32.48 9ica s PRO 151 CO 0.10 -0.04 1.96 -0.09 0.04 0.00 0.00 177.00 178.97 9ica h ARG 152 N 4.68 0.13 -0.84 4.56 2.43 -1.61 0.78 114.38 124.50 9ica h ARG 152 Ca -0.46 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 58.76 9ica h ARG 152 Cb 1.21 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.68 9ica h ARG 152 CO 0.72 0.08 0.55 1.05 -1.51 0.00 0.00 179.97 180.86 9ica h GLU 153 N 0.13 0.95 0.19 0.20 9.09 -1.89 0.16 114.58 123.41 9ica h GLU 153 Ca 0.30 -0.06 -0.31 0.00 0.05 0.00 0.00 59.36 59.35 9ica h GLU 153 Cb 1.02 -0.21 0.02 0.00 -1.65 0.00 0.00 28.75 27.93 9ica h GLU 153 CO -0.04 0.63 -1.40 0.93 0.05 0.00 0.00 179.01 179.18 9ica h GLU 154 N 0.98 0.40 -0.57 1.06 5.08 -0.01 -3.27 114.58 118.25 9ica h GLU 154 Ca 0.35 -0.68 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 9ica h GLU 154 Cb 0.14 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 9ica h GLU 154 CO -0.12 1.32 0.27 0.52 -1.00 0.00 0.00 179.01 180.00 9ica h MET 155 N 0.11 0.80 -0.54 2.33 2.86 0.18 -0.92 114.93 119.76 9ica h MET 155 Ca -0.21 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.22 9ica h MET 155 Cb 2.07 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 33.56 9ica h MET 155 CO 0.23 0.62 -0.10 -0.07 1.06 0.00 0.00 176.91 178.66 9ica h LEU 156 N 0.80 1.02 -0.39 1.22 3.38 -0.80 -1.29 115.31 119.26 9ica h LEU 156 Ca 0.20 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 9ica h LEU 156 Cb 0.08 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 9ica h LEU 156 CO -0.03 1.13 -0.24 0.06 0.09 0.00 0.00 178.44 179.45 9ica h GLN 157 N 0.89 0.84 0.65 1.13 3.07 -1.42 -2.49 115.11 117.78 9ica h GLN 157 Ca 0.14 -0.39 -0.03 0.00 0.09 0.00 0.00 58.65 58.46 9ica h GLN 157 Cb 0.66 -0.01 0.01 0.00 0.08 0.00 0.00 27.48 28.22 9ica h GLN 157 CO 0.05 1.03 -0.31 0.52 0.09 0.00 0.00 178.83 180.20 9ica h MET 158 N 0.65 -0.85 -0.99 0.06 2.86 -1.19 -2.31 114.93 113.16 9ica h MET 158 Ca 0.08 0.06 0.25 0.00 -2.06 0.00 0.00 59.70 58.03 9ica h MET 158 Cb 0.80 0.19 -0.07 0.00 0.06 0.00 0.00 31.60 32.58 9ica h MET 158 CO 0.07 -0.56 0.66 0.37 1.06 0.00 0.00 176.91 178.50 9ica h GLN 159 N -0.95 0.31 -0.09 1.72 4.15 -1.33 0.18 115.11 119.10 9ica h GLN 159 Ca -0.09 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 9ica h GLN 159 Cb 0.67 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.29 9ica h GLN 159 CO 0.15 0.21 0.05 0.22 -1.93 0.00 0.00 178.83 177.53 9ica h ASP 160 N 0.32 0.11 -0.23 -0.69 3.58 -1.16 -2.61 116.42 115.75 9ica h ASP 160 Ca 0.53 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.91 9ica h ASP 160 Cb 1.48 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.49 9ica h ASP 160 CO -0.20 0.15 0.12 0.40 -2.88 0.00 0.00 179.24 176.83 9ica h ILE 161 N 0.07 1.13 0.12 2.25 2.04 -0.11 -2.55 117.51 120.45 9ica h ILE 161 Ca 0.03 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.55 9ica h ILE 161 Cb 0.06 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 9ica h ILE 161 CO -0.01 0.12 -0.16 0.58 0.00 0.00 0.00 178.15 178.68 9ica h VAL 162 N 0.25 0.63 -0.82 1.67 2.07 -1.29 -1.59 116.25 117.17 9ica h VAL 162 Ca 0.08 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.74 9ica h VAL 162 Cb 0.09 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 9ica h VAL 162 CO -0.01 0.00 0.54 -0.07 0.02 0.00 0.00 177.57 178.05 9ica h LEU 163 N -0.34 0.53 0.08 2.57 3.38 -1.50 -1.06 115.31 118.96 9ica h LEU 163 Ca 0.01 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 9ica h LEU 163 Cb 0.34 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.02 9ica h LEU 163 CO -0.07 0.27 -0.04 0.78 0.09 0.00 0.00 178.44 179.47 9ica h ASN 164 N 0.56 -0.09 0.36 -0.43 2.35 -0.88 -2.94 115.58 114.51 9ica h ASN 164 Ca 0.41 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 9ica h ASN 164 Cb 0.78 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.18 9ica h ASN 164 CO -0.16 0.27 -0.17 -0.33 -1.65 0.00 0.00 177.43 175.39 9ica h GLU 165 N -0.45 -0.47 -0.76 0.81 4.39 -0.81 -1.74 114.58 115.56 9ica h GLU 165 Ca -0.01 0.03 0.14 0.00 0.34 0.00 0.00 59.36 59.86 9ica h GLU 165 Cb 0.39 0.11 -0.13 0.00 -0.10 0.00 0.00 28.75 29.01 9ica h GLU 165 CO 0.02 -0.18 -0.23 0.28 -1.16 0.00 0.00 179.01 177.73 9ica n VAL 166 N -5.20 -0.35 -0.15 3.13 0.31 -0.45 0.26 118.33 115.88 9ica n VAL 166 Ca -0.10 1.75 -0.09 0.00 -0.01 0.00 0.00 64.34 65.88 9ica n VAL 166 Cb 0.27 -2.37 -0.00 0.00 -0.91 0.00 0.00 33.84 30.82 9ica n VAL 166 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 9ica h LYS 167 N 0.00 0.71 -0.98 5.55 3.64 -1.47 0.13 116.57 124.15 9ica h LYS 167 Ca 0.32 -0.18 0.09 0.00 -1.27 0.00 0.00 60.65 59.61 9ica h LYS 167 Cb 0.51 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 9ica h LYS 167 CO -0.77 0.72 0.63 1.57 -2.27 0.00 0.00 179.45 179.33 9ica h LYS 168 N 0.58 1.03 0.19 1.90 2.10 0.46 -2.84 116.57 119.98 9ica h LYS 168 Ca 0.14 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.71 9ica h LYS 168 Cb 0.34 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 9ica h LYS 168 CO 0.00 0.68 -0.09 -0.24 -2.00 0.00 0.00 179.45 177.81 9ica h VAL 169 N 1.06 0.57 -3.65 0.07 3.04 -0.73 -3.45 116.25 113.16 9ica h VAL 169 Ca 0.44 -1.06 -0.40 0.00 -1.01 0.00 0.00 66.70 64.68 9ica h VAL 169 Cb 0.30 0.99 -0.32 0.00 -2.01 0.00 0.00 31.29 30.25 9ica h VAL 169 CO -0.20 0.16 -0.77 -0.62 -1.01 0.00 0.00 177.57 175.13 9ica s ASP 170 N -5.40 0.94 0.14 3.17 2.15 0.42 -4.96 116.67 113.13 9ica s ASP 170 Ca -0.10 -0.14 0.06 0.00 0.43 0.00 0.00 52.55 52.81 9ica s ASP 170 Cb 0.00 -0.34 -0.12 0.00 -0.30 0.00 0.00 42.92 42.17 9ica s ASP 170 CO 0.36 0.01 1.32 -1.28 -0.17 0.00 0.00 175.17 175.41 9ica h SER 171 N 6.71 0.04 0.40 -0.34 0.87 -1.77 -3.12 113.55 116.34 9ica h SER 171 Ca -0.35 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 9ica h SER 171 Cb 1.17 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 9ica h SER 171 CO 0.48 0.97 0.00 1.21 -0.53 0.00 0.00 176.83 178.96 9ica n GLU 172 N -3.45 0.05 -2.33 2.24 4.07 -1.26 -4.82 120.64 115.15 9ica n GLU 172 Ca -0.01 0.24 -0.41 0.00 -0.06 0.00 0.00 57.16 56.93 9ica n GLU 172 Cb 0.89 -1.50 -0.03 0.00 -0.06 0.00 0.00 31.44 30.74 9ica n GLU 172 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 9ica s TYR 173 N -2.88 3.37 -0.22 4.31 2.02 -1.18 -4.35 117.35 118.42 9ica s TYR 173 Ca 0.08 1.48 -0.03 0.00 -0.37 0.00 0.00 57.07 58.24 9ica s TYR 173 Cb 0.09 -3.46 0.01 0.00 -0.40 0.00 0.00 41.96 38.19 9ica s TYR 173 CO 0.23 -1.23 -0.07 0.42 -1.57 0.00 0.00 175.55 173.33 9ica s ILE 174 N -0.63 3.06 0.01 2.71 1.01 -0.00 -4.88 121.20 122.47 9ica s ILE 174 Ca 0.50 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.48 9ica s ILE 174 Cb -0.35 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 9ica s ILE 174 CO 0.42 0.37 -0.15 0.00 0.00 0.00 0.00 174.94 175.58 9ica s ALA 175 N 1.41 1.21 -0.07 9.38 0.00 -1.26 -1.59 121.76 130.84 9ica s ALA 175 Ca 0.04 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.30 9ica s ALA 175 Cb -0.15 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.73 9ica s ALA 175 CO -0.05 0.27 -0.06 0.99 0.00 0.00 0.00 175.76 176.91 9ica s THR 176 N -0.53 0.74 -0.36 0.00 2.01 -0.34 -4.94 115.64 112.22 9ica s THR 176 Ca 0.04 -0.20 -0.22 0.00 0.31 0.00 0.00 61.69 61.62 9ica s THR 176 Cb -0.06 -0.76 0.01 0.00 0.01 0.00 0.00 72.50 71.69 9ica s THR 176 CO 0.00 0.29 0.71 -0.69 -0.69 0.00 0.00 174.62 174.24 9ica s VAL 177 N 1.14 4.81 0.00 3.82 1.01 -1.26 0.29 120.40 130.21 9ica s VAL 177 Ca -0.07 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.66 9ica s VAL 177 Cb -0.14 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.09 9ica s VAL 177 CO -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 175.10 174.71 9ica n GLY 179 N 5.00 -1.25 0.30 0.00 0.00 -1.26 -3.99 105.19 103.99 9ica n GLY 179 Ca 0.00 -1.37 0.03 0.00 0.00 0.00 0.00 46.02 44.68 9ica n GLY 179 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 9ica h SER 180 N 1.75 0.46 -0.43 1.61 4.64 -1.89 -1.78 113.55 117.90 9ica h SER 180 Ca 0.00 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.30 9ica h SER 180 Cb 0.00 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 9ica h SER 180 CO 0.00 0.39 0.27 0.15 -0.87 0.00 0.00 176.83 176.78 9ica h PHE 181 N 0.52 0.51 -0.59 4.77 3.57 -1.82 -1.98 116.94 121.92 9ica h PHE 181 Ca 0.13 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 9ica h PHE 181 Cb 0.06 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 9ica h PHE 181 CO 0.00 0.31 0.38 -0.09 -2.23 0.00 0.00 178.31 176.68 9ica h ARG 182 N 0.55 0.79 -1.46 1.11 2.43 -1.48 -2.71 114.38 113.61 9ica h ARG 182 Ca 0.17 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 9ica h ARG 182 Cb -0.03 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 9ica h ARG 182 CO -0.06 0.54 0.00 0.54 -1.51 0.00 0.00 179.97 179.48 9ica n ARG 183 N -4.65 0.95 0.00 0.20 1.74 -0.75 -4.53 116.66 109.61 9ica n ARG 183 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 9ica n ARG 183 Cb 0.03 -1.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 9ica n ARG 183 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 9ica n GLY 184 N 0.95 1.43 0.00 -0.13 0.00 -1.02 -4.66 105.19 101.76 9ica n GLY 184 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 9ica n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9ica n ALA 185 N 0.00 -0.03 -0.27 4.61 0.00 -0.81 -4.84 120.51 119.17 9ica n ALA 185 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 9ica n ALA 185 Cb 0.00 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.82 9ica n ALA 185 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 9ica h GLU 186 N 0.00 0.68 -4.20 0.00 4.39 -1.93 -3.43 114.58 110.09 9ica h GLU 186 Ca 0.00 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.52 9ica h GLU 186 Cb 0.00 -0.15 -0.14 0.00 -0.10 0.00 0.00 28.75 28.35 9ica h GLU 186 CO 0.00 0.45 -0.56 -1.54 -1.16 0.00 0.00 179.01 176.20 9ica s SER 187 N -5.79 0.28 0.08 1.42 1.04 -1.26 -1.69 113.70 107.78 9ica s SER 187 Ca -0.10 -1.02 -0.12 0.00 0.48 0.00 0.00 55.95 55.19 9ica s SER 187 Cb 0.22 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.65 9ica s SER 187 CO 0.79 -0.73 0.27 -0.44 0.98 0.00 0.00 173.24 174.11 9ica s SER 188 N -2.98 -0.03 0.03 7.02 0.01 0.14 -4.77 113.70 113.13 9ica s SER 188 Ca 0.16 -0.43 -0.07 0.00 1.31 0.00 0.00 55.95 56.92 9ica s SER 188 Cb 0.06 0.37 -0.30 0.00 0.21 0.00 0.00 66.02 66.37 9ica s SER 188 CO -0.03 -0.72 0.96 1.23 0.41 0.00 0.00 173.24 175.10 9ica h GLY 189 N 2.83 0.37 -4.24 3.44 0.00 -1.92 2.56 103.07 106.11 9ica h GLY 189 Ca -0.33 -0.95 0.05 0.00 0.00 0.00 0.00 47.33 46.09 9ica h GLY 189 CO 0.51 0.84 0.45 0.51 0.00 0.00 0.00 176.54 178.84 9ica s ASP 190 N -7.18 -0.44 0.18 0.19 1.47 -1.26 -4.70 116.67 104.93 9ica s ASP 190 Ca -0.08 0.45 -0.29 0.00 1.18 0.00 0.00 52.55 53.81 9ica s ASP 190 Cb 0.06 0.37 -0.08 0.00 -0.34 0.00 0.00 42.92 42.94 9ica s ASP 190 CO 0.88 -0.43 0.91 -0.32 0.68 0.00 0.00 175.17 176.89 9ica s MET 191 N -1.29 4.75 -0.30 2.11 -2.45 -0.45 -4.97 119.30 116.71 9ica s MET 191 Ca -0.04 1.40 0.01 0.00 -1.25 0.00 0.00 55.69 55.82 9ica s MET 191 Cb -0.00 -3.31 0.09 0.00 1.25 0.00 0.00 34.83 32.86 9ica s MET 191 CO 0.03 0.43 0.05 -0.51 1.05 0.00 0.00 175.02 176.06 9ica s ASP 192 N -0.78 4.17 -0.27 1.11 1.01 -1.26 -0.39 116.67 120.25 9ica s ASP 192 Ca 0.42 -1.66 -0.12 0.00 0.71 0.00 0.00 52.55 51.90 9ica s ASP 192 Cb -0.24 -1.15 -0.05 0.00 1.01 0.00 0.00 42.92 42.48 9ica s ASP 192 CO 0.30 -0.36 0.23 -0.69 0.21 0.00 0.00 175.17 174.86 9ica s VAL 193 N 1.36 5.28 -0.05 -1.27 1.01 0.22 -1.43 120.40 125.53 9ica s VAL 193 Ca 0.06 0.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.05 9ica s VAL 193 Cb -0.18 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 9ica s VAL 193 CO -0.15 0.24 0.83 -0.76 0.00 0.00 0.00 175.10 175.26 9ica s LEU 194 N 1.72 4.33 0.00 3.92 2.01 0.15 -2.07 118.68 128.74 9ica s LEU 194 Ca 0.09 1.38 0.04 0.00 0.01 0.00 0.00 54.13 55.65 9ica s LEU 194 Cb -0.16 -3.30 -0.01 0.00 0.01 0.00 0.00 46.19 42.73 9ica s LEU 194 CO 0.10 -0.20 -0.12 -0.22 1.01 0.00 0.00 176.35 176.92 9ica s LEU 195 N 1.00 2.06 0.12 1.79 2.96 0.19 -1.20 118.68 125.60 9ica s LEU 195 Ca 0.44 -0.27 -0.16 0.00 -0.22 0.00 0.00 54.13 53.91 9ica s LEU 195 Cb -0.19 -0.57 0.04 0.00 0.50 0.00 0.00 46.19 45.97 9ica s LEU 195 CO 0.22 0.10 0.41 0.28 -1.32 0.00 0.00 176.35 176.04 9ica s THR 196 N -0.44 0.07 -0.03 3.68 -1.32 -0.62 0.26 115.64 117.24 9ica s THR 196 Ca 0.03 -0.55 -0.08 0.00 -1.21 0.00 0.00 61.69 59.89 9ica s THR 196 Cb -0.05 -1.14 0.01 0.00 -1.51 0.00 0.00 72.50 69.81 9ica s THR 196 CO -0.00 -0.30 0.17 -2.28 -2.21 0.00 0.00 174.62 170.00 9ica s HIS 197 N -3.66 -0.08 0.28 9.09 2.46 -1.25 -0.82 115.29 121.31 9ica s HIS 197 Ca 0.02 0.16 0.02 0.00 0.47 0.00 0.00 55.06 55.73 9ica s HIS 197 Cb 0.02 0.01 0.66 0.00 -0.13 0.00 0.00 32.58 33.13 9ica s HIS 197 CO -0.11 -0.22 1.74 -1.35 -2.47 0.00 0.00 174.74 172.33 9ica h PRO 198 N 4.86 0.56 -0.30 2.88 0.11 -1.95 -2.16 132.00 136.00 9ica h PRO 198 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 9ica h PRO 198 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.18 9ica h PRO 198 CO 0.40 0.37 0.00 -1.13 -0.21 0.00 0.00 178.00 177.42 9ica n SER 199 N -4.91 0.30 -3.73 -2.05 3.41 -1.26 -4.63 113.62 100.75 9ica n SER 199 Ca 0.20 -1.54 -0.19 0.00 -0.26 0.00 0.00 58.87 57.08 9ica n SER 199 Cb 0.55 -0.15 -0.17 0.00 -0.26 0.00 0.00 64.21 64.18 9ica n SER 199 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 9ica s PHE 200 N -1.61 0.23 0.21 7.33 5.36 -0.81 -4.93 117.98 123.76 9ica s PHE 200 Ca 0.00 0.10 -0.23 0.00 -0.96 0.00 0.00 56.93 55.85 9ica s PHE 200 Cb 0.00 -0.51 0.05 0.00 -0.34 0.00 0.00 43.02 42.23 9ica s PHE 200 CO 0.00 -0.20 0.89 -0.08 -1.46 0.00 0.00 175.22 174.38 9ica s THR 201 N 1.78 0.00 0.01 0.12 -1.32 -1.26 0.28 115.64 115.25 9ica s THR 201 Ca 0.00 -0.78 -0.01 0.00 -1.21 0.00 0.00 61.69 59.69 9ica s THR 201 Cb -0.12 -2.18 0.00 0.00 -1.51 0.00 0.00 72.50 68.69 9ica s THR 201 CO -0.03 0.00 0.09 -1.20 -2.21 0.00 0.00 174.62 171.26 9ica n SER 202 N -0.64 -0.05 -0.01 8.08 7.64 -1.26 -2.76 113.62 124.62 9ica n SER 202 Ca -0.05 0.10 -0.00 0.00 1.01 0.00 0.00 58.87 59.92 9ica n SER 202 Cb 0.60 -0.02 -0.00 0.00 -1.01 0.00 0.00 64.21 63.78 9ica n SER 202 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 9ica h GLU 203 N 0.00 0.00 -1.50 1.43 3.07 -2.01 -3.47 114.58 112.10 9ica h GLU 203 Ca 0.01 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.75 9ica h GLU 203 Cb 0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.90 9ica h GLU 203 CO -0.05 0.00 0.58 -1.13 -1.40 0.00 0.00 179.01 177.01 9ica n SER 204 N -2.57 -0.23 -4.49 1.42 3.41 -1.11 -4.60 113.62 105.45 9ica n SER 204 Ca -0.00 -0.08 -0.15 0.00 -0.26 0.00 0.00 58.87 58.38 9ica n SER 204 Cb 0.02 -0.21 -0.13 0.00 -0.26 0.00 0.00 64.21 63.63 9ica n SER 204 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 9ica n THR 205 N 1.90 0.00 -0.51 6.66 5.66 -1.26 -4.41 114.28 122.32 9ica n THR 205 Ca 0.20 -0.45 0.05 0.00 -3.05 0.00 0.00 64.05 60.81 9ica n THR 205 Cb 0.03 -1.08 -0.01 0.00 -1.55 0.00 0.00 70.33 67.72 9ica n THR 205 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 9ica n LYS 206 N 7.12 -0.73 0.00 1.09 4.76 -1.26 -4.96 118.16 124.17 9ica n LYS 206 Ca 0.50 0.48 0.00 0.00 -2.87 0.00 0.00 58.31 56.42 9ica n LYS 206 Cb 0.33 -0.89 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 9ica n LYS 206 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 9ica n GLN 207 N -1.45 0.00 -0.23 1.97 7.27 -1.26 -4.98 117.38 118.70 9ica n GLN 207 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 9ica n GLN 207 Cb 0.17 0.00 0.09 0.00 2.41 0.00 0.00 30.24 32.90 9ica n GLN 207 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 9ica h PRO 208 N 0.00 0.71 -1.06 3.69 0.13 -1.93 -0.91 132.00 132.63 9ica h PRO 208 Ca 0.00 -0.04 0.28 0.00 -0.87 0.00 0.00 66.00 65.37 9ica h PRO 208 Cb 0.00 -0.16 -0.10 0.00 0.13 0.00 0.00 31.00 30.87 9ica h PRO 208 CO 0.00 0.47 0.68 0.87 -0.23 0.00 0.00 178.00 179.79 9ica h LYS 209 N 0.73 0.36 -0.95 0.86 1.79 -1.97 0.88 116.57 118.28 9ica h LYS 209 Ca 0.29 -0.02 0.25 0.00 -2.18 0.00 0.00 60.65 58.99 9ica h LYS 209 Cb 0.13 -0.08 -0.13 0.00 -1.58 0.00 0.00 32.23 30.56 9ica h LYS 209 CO -0.15 0.24 0.48 -0.07 -1.08 0.00 0.00 179.45 178.87 9ica h LEU 210 N 0.37 0.45 0.00 2.94 3.38 -1.57 0.89 115.31 121.78 9ica h LEU 210 Ca 0.62 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.75 9ica h LEU 210 Cb 1.60 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.46 9ica h LEU 210 CO -0.33 -0.01 -0.00 0.25 0.09 0.00 0.00 178.44 178.44 9ica h LEU 211 N 0.43 -0.00 -0.82 1.67 5.85 0.64 -3.38 115.31 119.70 9ica h LEU 211 Ca 0.62 -0.79 0.14 0.00 0.84 0.00 0.00 57.88 58.69 9ica h LEU 211 Cb 1.24 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.18 9ica h LEU 211 CO -0.54 0.79 0.41 0.45 -0.34 0.00 0.00 178.44 179.22 9ica h HIS 212 N -0.80 0.72 0.40 1.25 3.86 -0.71 -1.86 115.15 118.02 9ica h HIS 212 Ca -0.00 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 9ica h HIS 212 Cb 0.79 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 9ica h HIS 212 CO 0.21 0.18 -0.30 1.96 0.86 0.00 0.00 177.93 180.84 9ica h GLN 213 N 0.60 -0.67 -0.27 2.45 4.20 0.57 -1.71 115.11 120.29 9ica h GLN 213 Ca 0.44 0.05 -0.05 0.00 0.06 0.00 0.00 58.65 59.15 9ica h GLN 213 Cb 0.61 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 9ica h GLN 213 CO -0.35 -0.44 -0.04 -0.39 -0.67 0.00 0.00 178.83 176.93 9ica h VAL 214 N -0.69 1.19 -0.97 -0.54 -1.51 -1.64 -1.91 116.25 110.18 9ica h VAL 214 Ca -0.04 -0.77 0.09 0.00 -1.23 0.00 0.00 66.70 64.76 9ica h VAL 214 Cb 0.59 1.03 -0.07 0.00 -2.13 0.00 0.00 31.29 30.71 9ica h VAL 214 CO 0.01 0.25 0.62 0.58 -1.23 0.00 0.00 177.57 177.80 9ica h VAL 215 N 0.40 0.99 0.26 7.19 2.07 -0.90 -0.47 116.25 125.80 9ica h VAL 215 Ca 0.09 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 9ica h VAL 215 Cb 0.34 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 9ica h VAL 215 CO 0.01 0.19 -0.13 -0.08 0.02 0.00 0.00 177.57 177.58 9ica h GLU 216 N 1.02 -0.34 -0.39 1.57 4.81 -0.63 -2.51 114.58 118.11 9ica h GLU 216 Ca 0.45 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.78 9ica h GLU 216 Cb 0.36 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.74 9ica h GLU 216 CO -0.21 -0.05 -0.15 0.37 -0.73 0.00 0.00 179.01 178.24 9ica h GLN 217 N -0.61 -0.07 -0.59 1.92 5.75 -0.79 0.73 115.11 121.45 9ica h GLN 217 Ca -0.04 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.55 9ica h GLN 217 Cb 0.44 0.02 -0.07 0.00 1.07 0.00 0.00 27.48 28.94 9ica h GLN 217 CO 0.06 -0.05 0.23 -0.07 -2.65 0.00 0.00 178.83 176.36 9ica h LEU 218 N -0.07 0.25 -0.04 -2.39 4.07 -1.09 -1.97 115.31 114.08 9ica h LEU 218 Ca 0.19 0.07 -0.00 0.00 0.08 0.00 0.00 57.88 58.22 9ica h LEU 218 Cb 0.36 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.14 9ica h LEU 218 CO -0.44 0.16 0.01 1.56 -1.08 0.00 0.00 178.44 178.65 9ica h GLN 219 N 0.43 0.06 -0.87 1.13 4.20 -0.77 0.18 115.11 119.46 9ica h GLN 219 Ca 0.29 -0.01 0.20 0.00 0.06 0.00 0.00 58.65 59.19 9ica h GLN 219 Cb 0.33 -0.01 -0.16 0.00 0.30 0.00 0.00 27.48 27.94 9ica h GLN 219 CO -0.28 0.26 -0.10 -0.22 -0.67 0.00 0.00 178.83 177.83 9ica h LYS 220 N -0.16 0.03 -0.02 1.46 3.64 0.11 0.47 116.57 122.10 9ica h LYS 220 Ca 0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 9ica h LYS 220 Cb 0.23 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 9ica h LYS 220 CO 0.00 0.02 0.00 1.33 -2.27 0.00 0.00 179.45 178.53 9ica n VAL 221 N -5.49 0.02 -1.59 2.00 0.24 -0.88 -4.94 118.33 107.69 9ica n VAL 221 Ca 0.16 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 9ica n VAL 221 Cb 0.53 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 9ica n VAL 221 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 9ica n HIS 222 N -0.09 0.00 0.02 6.34 8.25 0.16 -4.96 115.22 124.94 9ica n HIS 222 Ca 0.20 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.44 9ica n HIS 222 Cb 0.29 -0.80 -0.14 0.00 1.12 0.00 0.00 29.99 30.47 9ica n HIS 222 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 9ica h PHE 223 N 0.00 0.52 -3.27 4.41 3.57 -0.81 -3.42 116.94 117.93 9ica h PHE 223 Ca 0.00 -0.38 -0.58 0.00 3.53 0.00 0.00 57.97 60.54 9ica h PHE 223 Cb 0.75 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.40 9ica h PHE 223 CO 0.00 1.76 -0.15 0.42 -2.23 0.00 0.00 178.31 178.12 9ica s ILE 224 N -2.56 5.14 -0.23 1.41 1.01 -1.05 -1.69 121.20 123.23 9ica s ILE 224 Ca -0.21 0.94 -0.11 0.00 0.00 0.00 0.00 60.65 61.27 9ica s ILE 224 Cb 0.06 -3.80 -0.10 0.00 0.01 0.00 0.00 42.46 38.63 9ica s ILE 224 CO 0.78 0.38 -0.29 0.35 0.00 0.00 0.00 174.94 176.16 9ica n THR 225 N 3.27 1.26 -4.29 2.92 -2.24 0.35 -4.43 114.28 111.12 9ica n THR 225 Ca -0.08 -0.33 -0.16 0.00 -2.27 0.00 0.00 64.05 61.21 9ica n THR 225 Cb 0.52 -1.77 -0.10 0.00 -2.10 0.00 0.00 70.33 66.88 9ica n THR 225 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 9ica s ASP 226 N -6.99 1.84 -0.19 3.42 1.11 -1.17 -5.00 116.67 109.69 9ica s ASP 226 Ca -0.32 -1.10 -0.02 0.00 0.18 0.00 0.00 52.55 51.29 9ica s ASP 226 Cb 0.12 -0.01 -0.01 0.00 1.07 0.00 0.00 42.92 44.09 9ica s ASP 226 CO 0.41 -0.40 -0.08 -0.89 1.18 0.00 0.00 175.17 175.39 9ica s THR 227 N -3.35 3.24 -0.16 -1.27 2.01 -1.26 -1.96 115.64 112.89 9ica s THR 227 Ca 0.22 -0.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.55 9ica s THR 227 Cb 0.04 -2.43 -0.23 0.00 0.01 0.00 0.00 72.50 69.88 9ica s THR 227 CO 0.04 0.47 0.28 -0.11 -0.69 0.00 0.00 174.62 174.60 9ica n LEU 228 N 4.32 2.39 -3.64 4.42 7.94 0.25 -4.91 117.00 127.77 9ica n LEU 228 Ca -0.18 0.27 -0.05 0.00 -1.11 0.00 0.00 56.01 54.93 9ica n LEU 228 Cb 0.51 -1.06 -0.07 0.00 0.53 0.00 0.00 43.42 43.34 9ica n LEU 228 CO 0.30 0.67 0.70 -0.94 -1.11 0.00 0.00 177.39 177.01 9ica s SER 229 N -6.98 -0.49 -0.04 1.96 1.04 -0.59 -4.74 113.70 103.86 9ica s SER 229 Ca -0.25 0.84 -0.00 0.00 0.48 0.00 0.00 55.95 57.01 9ica s SER 229 Cb 0.07 1.06 0.03 0.00 0.10 0.00 0.00 66.02 67.28 9ica s SER 229 CO 0.70 -0.14 0.00 -0.75 0.98 0.00 0.00 173.24 174.03 9ica s LYS 230 N 0.90 0.39 0.39 4.02 2.20 -1.26 0.17 119.74 126.55 9ica s LYS 230 Ca -0.04 0.09 0.06 0.00 -0.36 0.00 0.00 55.97 55.71 9ica s LYS 230 Cb -0.04 -0.62 -0.02 0.00 -1.51 0.00 0.00 37.83 35.63 9ica s LYS 230 CO -0.12 -0.18 0.21 0.20 -0.36 0.00 0.00 175.35 175.10 9ica s GLY 231 N 1.30 2.58 0.00 5.54 0.00 -0.59 -4.98 107.32 111.16 9ica s GLY 231 Ca -0.06 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.10 9ica s GLY 231 CO -0.02 -1.67 0.20 -1.84 0.00 0.00 0.00 173.10 169.77 9ica n GLU 232 N -0.82 0.33 0.00 2.90 0.28 -1.26 -3.35 120.64 118.72 9ica n GLU 232 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 9ica n GLU 232 Cb 0.63 -1.13 0.00 0.00 1.43 0.00 0.00 31.44 32.38 9ica n GLU 232 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 9ica n THR 233 N 0.14 0.00 -3.66 3.84 -2.24 -1.26 -4.67 114.28 106.43 9ica n THR 233 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 9ica n THR 233 Cb 0.06 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.21 9ica n THR 233 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 9ica s LYS 234 N 0.00 0.39 0.05 -0.78 2.20 -1.21 -0.81 119.74 119.57 9ica s LYS 234 Ca 0.00 1.09 0.07 0.00 -0.36 0.00 0.00 55.97 56.77 9ica s LYS 234 Cb 0.00 0.38 -0.03 0.00 -1.51 0.00 0.00 37.83 36.67 9ica s LYS 234 CO 0.00 -0.23 -0.18 0.12 -0.36 0.00 0.00 175.35 174.70 9ica s PHE 235 N 2.49 2.56 -0.15 4.03 2.19 -0.58 -1.54 117.98 126.99 9ica s PHE 235 Ca -0.04 -0.25 0.01 0.00 0.33 0.00 0.00 56.93 56.98 9ica s PHE 235 Cb -0.11 -1.46 0.02 0.00 -1.31 0.00 0.00 43.02 40.16 9ica s PHE 235 CO -0.14 0.27 -0.16 -1.64 1.83 0.00 0.00 175.22 175.38 9ica s MET 236 N -1.50 2.46 0.00 10.12 -1.94 0.45 -2.39 119.30 126.50 9ica s MET 236 Ca 0.15 -0.63 0.00 0.00 -1.71 0.00 0.00 55.69 53.50 9ica s MET 236 Cb -0.11 -2.18 0.00 0.00 2.01 0.00 0.00 34.83 34.55 9ica s MET 236 CO 0.06 -0.20 0.00 0.41 -0.01 0.00 0.00 175.02 175.28 9ica n GLY 237 N 4.63 5.23 2.88 -0.03 0.00 0.81 -0.58 105.19 118.13 9ica n GLY 237 Ca -0.18 -1.24 -0.15 0.00 0.00 0.00 0.00 46.02 44.46 9ica n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 9ica s VAL 238 N 0.03 0.17 0.30 1.61 1.01 -0.83 -2.28 120.40 120.41 9ica s VAL 238 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.98 9ica s VAL 238 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 9ica s VAL 238 CO 0.00 0.08 0.15 0.00 0.00 0.00 0.00 175.10 175.33 9ica s GLN 240 N -3.83 0.63 0.07 0.00 0.74 -0.68 -0.34 119.66 116.24 9ica s GLN 240 Ca 0.36 0.78 -0.30 0.00 0.05 0.00 0.00 55.36 56.25 9ica s GLN 240 Cb 0.05 0.28 -0.05 0.00 1.10 0.00 0.00 33.01 34.40 9ica s GLN 240 CO 0.17 -0.08 0.97 -0.51 -0.55 0.00 0.00 175.29 175.29 9ica s LEU 241 N 0.45 4.45 -0.15 3.68 1.43 -1.26 -4.63 118.68 122.64 9ica s LEU 241 Ca 0.00 1.74 -0.38 0.00 -1.03 0.00 0.00 54.13 54.46 9ica s LEU 241 Cb -0.05 -3.58 -0.15 0.00 0.03 0.00 0.00 46.19 42.44 9ica s LEU 241 CO -0.05 -0.14 1.66 -2.65 0.23 0.00 0.00 176.35 175.41 9ica n PRO 242 N 3.20 1.33 -2.54 1.29 -0.02 -1.26 -4.12 135.00 132.88 9ica n PRO 242 Ca 0.04 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 9ica n PRO 242 Cb 0.50 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.77 9ica n PRO 242 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 9ica s SER 243 N 2.81 6.38 0.00 2.55 0.01 -1.26 -4.90 113.70 119.29 9ica s SER 243 Ca 0.94 0.16 0.00 0.00 1.31 0.00 0.00 55.95 58.36 9ica s SER 243 Cb -0.98 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 62.70 9ica s SER 243 CO 0.58 -1.53 0.00 0.29 0.41 0.00 0.00 173.24 173.00 9ica n LYS 244 N 8.48 1.99 -1.88 12.44 4.76 -1.26 -4.40 118.16 138.29 9ica n LYS 244 Ca 0.09 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.17 9ica n LYS 244 Cb 0.49 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.66 9ica n LYS 244 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 9ica n ASN 245 N 0.00 7.52 -0.31 4.39 2.04 -1.26 -4.93 115.26 122.71 9ica n ASN 245 Ca 0.00 -3.21 0.00 0.00 -0.44 0.00 0.00 54.58 50.93 9ica n ASN 245 Cb 0.00 -1.30 0.00 0.00 -2.53 0.00 0.00 39.78 35.95 9ica n ASN 245 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 9ica n ASP 246 N 1.30 0.00 0.00 0.53 9.92 -1.26 -4.89 116.55 122.15 9ica n ASP 246 Ca 0.57 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.83 9ica n ASP 246 Cb 0.34 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.36 9ica n ASP 246 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 9ica n GLU 247 N -0.31 0.00 -3.50 -1.24 -0.58 -1.26 -5.10 120.64 108.65 9ica n GLU 247 Ca 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.68 9ica n GLU 247 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 9ica n GLU 247 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 9ica s LYS 248 N 0.00 0.39 0.22 3.49 0.00 -1.26 -5.16 119.74 117.42 9ica s LYS 248 Ca 0.00 0.92 0.05 0.00 0.00 0.00 0.00 55.97 56.94 9ica s LYS 248 Cb 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 37.83 37.96 9ica s LYS 248 CO 0.00 -0.41 0.28 -2.00 0.00 0.00 0.00 175.35 173.22 9ica s GLU 249 N 2.65 3.25 -0.09 1.78 2.12 -1.26 -4.16 118.70 122.99 9ica s GLU 249 Ca 0.05 -0.82 -0.12 0.00 0.36 0.00 0.00 54.97 54.44 9ica s GLU 249 Cb -0.13 -2.79 -0.05 0.00 0.26 0.00 0.00 34.13 31.42 9ica s GLU 249 CO -0.15 0.44 0.28 0.71 -0.54 0.00 0.00 175.26 175.99 9ica s TYR 250 N -1.96 3.60 0.62 5.30 2.02 -1.26 -5.05 117.35 120.62 9ica s TYR 250 Ca 0.33 0.70 -0.19 0.00 -0.37 0.00 0.00 57.07 57.55 9ica s TYR 250 Cb -0.09 -2.18 -0.03 0.00 -0.40 0.00 0.00 41.96 39.26 9ica s TYR 250 CO 0.27 0.54 1.19 -0.35 -1.57 0.00 0.00 175.55 175.64 9ica n PRO 251 N 2.45 1.12 -2.47 -1.71 -0.04 -1.26 -4.76 135.00 128.33 9ica n PRO 251 Ca -0.15 0.43 -0.42 0.00 -0.04 0.00 0.00 63.50 63.32 9ica n PRO 251 Cb 0.53 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.55 9ica n PRO 251 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 9ica s HIS 252 N -1.41 3.43 -0.08 0.54 3.76 -1.26 -4.69 115.29 115.57 9ica s HIS 252 Ca 0.79 1.34 0.04 0.00 -0.15 0.00 0.00 55.06 57.08 9ica s HIS 252 Cb -0.40 -3.38 -0.01 0.00 1.11 0.00 0.00 32.58 29.90 9ica s HIS 252 CO 0.44 -1.11 -0.21 1.03 -0.85 0.00 0.00 174.74 174.04 9ica s ARG 253 N 1.22 2.87 0.14 1.40 3.00 0.54 -4.39 118.95 123.74 9ica s ARG 253 Ca 0.57 -0.82 -0.31 0.00 0.00 0.00 0.00 55.73 55.17 9ica s ARG 253 Cb -0.28 -2.33 -0.10 0.00 0.00 0.00 0.00 34.95 32.24 9ica s ARG 253 CO 0.28 0.32 1.66 1.03 0.00 0.00 0.00 175.30 178.59 9ica s ARG 254 N 0.01 4.18 -0.01 3.54 1.81 -1.26 -0.24 118.95 126.98 9ica s ARG 254 Ca -0.07 2.43 0.02 0.00 -1.72 0.00 0.00 55.73 56.38 9ica s ARG 254 Cb -0.15 -3.32 0.00 0.00 -0.45 0.00 0.00 34.95 31.03 9ica s ARG 254 CO 0.05 -0.70 -0.06 -1.50 -0.68 0.00 0.00 175.30 172.41 9ica s ILE 255 N 1.79 0.48 -0.11 1.52 2.07 -0.97 -1.34 121.20 124.65 9ica s ILE 255 Ca 0.73 -0.23 -0.00 0.00 -1.41 0.00 0.00 60.65 59.75 9ica s ILE 255 Cb -0.44 -0.43 0.02 0.00 0.13 0.00 0.00 42.46 41.74 9ica s ILE 255 CO 0.32 0.15 -0.08 -1.81 -1.91 0.00 0.00 174.94 171.62 9ica s ASP 256 N 0.08 2.15 -0.14 4.50 1.01 0.47 -0.13 116.67 124.62 9ica s ASP 256 Ca -0.01 -0.30 -0.02 0.00 0.71 0.00 0.00 52.55 52.93 9ica s ASP 256 Cb -0.05 -0.84 -0.03 0.00 1.01 0.00 0.00 42.92 43.02 9ica s ASP 256 CO -0.00 -0.11 -0.05 -0.63 0.21 0.00 0.00 175.17 174.58 9ica s ILE 257 N 1.66 3.75 -0.04 0.77 1.01 -1.01 -0.61 121.20 126.74 9ica s ILE 257 Ca 0.04 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.29 9ica s ILE 257 Cb -0.13 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.74 9ica s ILE 257 CO -0.08 0.52 -0.09 0.00 0.00 0.00 0.00 174.94 175.29 9ica s ARG 258 N 0.14 1.14 -0.05 2.79 1.70 -0.88 -1.52 118.95 122.27 9ica s ARG 258 Ca -0.02 -0.30 -0.25 0.00 -0.47 0.00 0.00 55.73 54.70 9ica s ARG 258 Cb -0.14 -1.03 -0.04 0.00 -0.57 0.00 0.00 34.95 33.18 9ica s ARG 258 CO 0.03 0.05 0.75 -1.17 -1.08 0.00 0.00 175.30 173.89 9ica s LEU 259 N 0.46 4.33 0.02 -1.89 2.96 0.01 0.56 118.68 125.12 9ica s LEU 259 Ca -0.08 1.28 0.05 0.00 -0.22 0.00 0.00 54.13 55.17 9ica s LEU 259 Cb -0.12 -3.18 -0.02 0.00 0.50 0.00 0.00 46.19 43.38 9ica s LEU 259 CO 0.01 -0.14 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.11 9ica s ILE 260 N 0.82 1.26 -0.03 6.68 -1.09 0.71 -4.91 121.20 124.64 9ica s ILE 260 Ca 0.40 -0.87 -0.30 0.00 -2.23 0.00 0.00 60.65 57.65 9ica s ILE 260 Cb -0.18 -1.09 -0.06 0.00 -1.58 0.00 0.00 42.46 39.55 9ica s ILE 260 CO 0.20 0.20 1.54 -2.16 -1.23 0.00 0.00 174.94 173.49 9ica s PRO 261 N -0.78 4.22 0.27 2.79 0.04 -1.26 -3.80 135.00 136.47 9ica s PRO 261 Ca 0.05 2.09 0.10 0.00 0.04 0.00 0.00 61.00 63.28 9ica s PRO 261 Cb -0.07 -3.78 0.85 0.00 0.04 0.00 0.00 34.50 31.54 9ica s PRO 261 CO 0.00 -0.73 1.21 1.17 0.04 0.00 0.00 177.00 178.70 9ica n LYS 262 N 6.30 -0.05 0.00 4.56 3.00 0.81 -1.43 118.16 131.35 9ica n LYS 262 Ca 0.15 1.10 0.00 0.00 -0.00 0.00 0.00 58.31 59.57 9ica n LYS 262 Cb 0.43 -1.88 0.00 0.00 0.00 0.00 0.00 35.03 33.58 9ica n LYS 262 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 9ica n ASP 263 N -4.88 1.50 0.00 3.14 5.75 -1.26 -3.16 116.55 117.63 9ica n ASP 263 Ca 0.25 -1.19 0.00 0.00 -0.01 0.00 0.00 54.79 53.83 9ica n ASP 263 Cb 0.83 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 9ica n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 9ica n GLN 264 N 0.58 0.00 0.00 0.11 10.64 -0.52 -4.92 117.38 123.27 9ica n GLN 264 Ca 0.00 -0.08 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 9ica n GLN 264 Cb 0.26 -0.14 0.00 0.00 -0.86 0.00 0.00 30.24 29.50 9ica n GLN 264 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 9ica n TYR 265 N 0.00 0.00 -0.34 2.61 9.36 -1.19 -0.87 117.16 126.72 9ica n TYR 265 Ca 0.00 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.39 9ica n TYR 265 Cb 0.39 -0.37 0.38 0.00 -0.63 0.00 0.00 39.34 39.11 9ica n TYR 265 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 9ica h TYR 266 N 0.00 1.00 -0.37 2.98 0.05 -1.91 4.91 116.97 123.63 9ica h TYR 266 Ca 0.00 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 9ica h TYR 266 Cb 0.00 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.43 9ica h TYR 266 CO -0.31 0.11 0.13 0.00 -1.05 0.00 0.00 178.16 177.04 9ica h GLY 268 N 0.44 -0.53 0.89 0.00 0.00 0.26 -0.69 103.07 103.43 9ica h GLY 268 Ca 0.12 0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.74 9ica h GLY 268 CO -0.01 -0.23 0.08 -2.08 0.00 0.00 0.00 176.54 174.30 9ica h VAL 269 N -0.51 1.19 -0.51 4.60 2.07 0.96 -2.62 116.25 121.44 9ica h VAL 269 Ca 0.02 -0.61 0.09 0.00 0.82 0.00 0.00 66.70 67.03 9ica h VAL 269 Cb 0.51 1.13 -0.10 0.00 -1.52 0.00 0.00 31.29 31.31 9ica h VAL 269 CO -0.12 0.20 -0.32 0.25 0.02 0.00 0.00 177.57 177.60 9ica h LEU 270 N 0.23 -1.09 -0.02 2.57 5.85 0.24 -2.33 115.31 120.76 9ica h LEU 270 Ca 0.08 0.21 0.01 0.00 0.84 0.00 0.00 57.88 59.01 9ica h LEU 270 Cb 0.23 0.53 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 9ica h LEU 270 CO -0.00 -0.30 -0.11 0.22 -0.34 0.00 0.00 178.44 177.90 9ica h TYR 271 N -0.19 -0.32 -0.94 1.25 3.20 -1.06 -2.94 116.97 115.97 9ica h TYR 271 Ca 0.21 0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.30 9ica h TYR 271 Cb 0.54 0.14 -0.08 0.00 1.54 0.00 0.00 36.73 38.87 9ica h TYR 271 CO -0.59 -0.11 0.61 0.74 -1.64 0.00 0.00 178.16 177.18 9ica h PHE 272 N -0.12 0.64 0.00 -3.82 0.04 -1.29 0.29 116.94 112.68 9ica h PHE 272 Ca 0.00 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 9ica h PHE 272 Cb 0.14 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 9ica h PHE 272 CO -0.44 0.15 -0.04 1.15 -0.60 0.00 0.00 178.31 178.53 9ica h THR 273 N 0.47 0.50 0.00 -1.55 2.02 -1.24 -3.34 112.91 109.77 9ica h THR 273 Ca 0.50 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.49 9ica h THR 273 Cb 1.17 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 9ica h THR 273 CO -0.22 0.04 0.00 0.61 0.37 0.00 0.00 175.52 176.32 9ica n GLY 274 N -1.07 2.64 3.78 2.16 0.00 0.10 -4.65 105.19 108.16 9ica n GLY 274 Ca -0.03 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 9ica n GLY 274 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 9ica s SER 275 N -4.00 5.45 0.24 1.61 1.04 -0.72 -4.53 113.70 112.79 9ica s SER 275 Ca 0.00 1.97 0.11 0.00 0.48 0.00 0.00 55.95 58.52 9ica s SER 275 Cb 0.00 -2.55 0.82 0.00 0.10 0.00 0.00 66.02 64.39 9ica s SER 275 CO 0.00 -1.40 1.05 0.47 0.98 0.00 0.00 173.24 174.34 9ica n ASP 276 N -2.07 0.17 0.03 7.02 8.00 -1.26 0.85 116.55 129.30 9ica n ASP 276 Ca 0.10 1.11 -0.12 0.00 0.71 0.00 0.00 54.79 56.58 9ica n ASP 276 Cb 0.52 -0.51 -0.09 0.00 -0.02 0.00 0.00 41.12 41.02 9ica n ASP 276 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 9ica h ILE 277 N 0.00 1.14 -0.91 0.53 -2.65 -1.89 -2.76 117.51 110.97 9ica h ILE 277 Ca 0.53 -1.08 0.21 0.00 1.03 0.00 0.00 64.86 65.55 9ica h ILE 277 Cb 1.36 1.81 -0.12 0.00 -2.05 0.00 0.00 36.82 37.82 9ica h ILE 277 CO -0.53 0.25 0.44 0.15 0.03 0.00 0.00 178.15 178.49 9ica h PHE 278 N -0.65 0.74 0.00 0.16 3.57 0.44 0.67 116.94 121.86 9ica h PHE 278 Ca -0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 9ica h PHE 278 Cb 0.52 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.07 9ica h PHE 278 CO 0.09 0.01 0.00 0.09 -2.23 0.00 0.00 178.31 176.27 9ica n ASN 279 N -4.99 0.00 -0.19 0.41 5.03 -0.27 0.27 115.26 115.53 9ica n ASN 279 Ca 0.22 0.97 -0.05 0.00 0.87 0.00 0.00 54.58 56.59 9ica n ASN 279 Cb 0.64 -0.47 0.01 0.00 -1.02 0.00 0.00 39.78 38.94 9ica n ASN 279 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 9ica h LYS 280 N 0.00 -0.16 -0.96 3.52 1.57 -1.00 2.52 116.57 122.07 9ica h LYS 280 Ca 0.00 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 9ica h LYS 280 Cb 0.00 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 9ica h LYS 280 CO 0.00 -0.11 0.61 -0.91 -0.57 0.00 0.00 179.45 178.48 9ica h ASN 281 N -0.17 0.98 -0.27 0.86 4.21 0.49 2.28 115.58 123.97 9ica h ASN 281 Ca 0.23 0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.67 9ica h ASN 281 Cb 0.54 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.53 9ica h ASN 281 CO -0.65 0.63 -0.10 -0.03 -1.29 0.00 0.00 177.43 175.99 9ica h MET 282 N 1.12 0.55 -0.59 0.81 1.85 0.97 -2.81 114.93 116.83 9ica h MET 282 Ca 0.41 -0.23 0.01 0.00 -0.61 0.00 0.00 59.70 59.28 9ica h MET 282 Cb 0.15 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.13 9ica h MET 282 CO -0.17 0.78 0.39 0.00 -0.40 0.00 0.00 176.91 177.51 9ica h ARG 283 N 0.29 0.76 -0.63 0.39 3.08 0.61 -2.29 114.38 116.58 9ica h ARG 283 Ca 0.06 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 9ica h ARG 283 Cb 0.60 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 9ica h ARG 283 CO 0.03 0.50 0.19 0.00 -1.07 0.00 0.00 179.97 179.63 9ica h ALA 284 N 1.64 0.83 0.53 0.04 0.00 0.39 -3.20 119.26 119.50 9ica h ALA 284 Ca 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 9ica h ALA 284 Cb -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.48 9ica h ALA 284 CO -0.05 0.51 -0.26 1.25 0.00 0.00 0.00 179.25 180.70 9ica h HIS 285 N 0.92 -0.67 -1.04 0.00 -0.00 -1.18 -2.89 115.15 110.29 9ica h HIS 285 Ca 0.20 -0.02 0.30 0.00 -0.00 0.00 0.00 60.37 60.86 9ica h HIS 285 Cb 0.30 0.22 -0.04 0.00 -0.00 0.00 0.00 27.41 27.89 9ica h HIS 285 CO 0.02 -0.42 1.20 0.00 -0.00 0.00 0.00 177.93 178.74 9ica h ALA 286 N -0.24 2.98 -0.13 5.26 0.00 -1.47 0.54 119.26 126.19 9ica h ALA 286 Ca -0.07 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 9ica h ALA 286 Cb 0.55 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.42 9ica h ALA 286 CO 0.12 -1.74 -0.41 1.25 0.00 0.00 0.00 179.25 178.47 9ica h LEU 287 N 0.00 0.59 0.00 0.00 7.12 -1.38 3.00 115.31 124.64 9ica h LEU 287 Ca 0.49 -0.60 -0.01 0.00 0.13 0.00 0.00 57.88 57.90 9ica h LEU 287 Cb 2.90 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 42.86 9ica h LEU 287 CO -0.01 1.09 -0.02 -0.33 -0.13 0.00 0.00 178.44 179.04 9ica h GLU 288 N 0.12 0.01 -0.01 1.25 4.39 -0.09 -3.23 114.58 117.02 9ica h GLU 288 Ca -0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.67 9ica h GLU 288 Cb 1.03 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 9ica h GLU 288 CO 0.09 0.92 0.00 1.63 -1.16 0.00 0.00 179.01 180.49 9ica n LYS 289 N -4.64 0.02 -2.40 2.33 4.76 0.01 -4.73 118.16 113.52 9ica n LYS 289 Ca -0.10 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.24 9ica n LYS 289 Cb 0.45 -1.01 0.01 0.00 -1.84 0.00 0.00 35.03 32.64 9ica n LYS 289 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 9ica n GLY 290 N -0.05 0.02 2.79 0.72 0.00 -1.18 -4.84 105.19 102.65 9ica n GLY 290 Ca 0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 9ica n GLY 290 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 9ica n PHE 291 N -3.94 -0.53 -3.86 1.61 3.72 1.00 -0.08 117.46 115.38 9ica n PHE 291 Ca -0.09 -2.39 -0.16 0.00 -0.05 0.00 0.00 57.45 54.77 9ica n PHE 291 Cb 0.58 0.20 -0.16 0.00 -0.94 0.00 0.00 39.48 39.16 9ica n PHE 291 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 9ica s THR 292 N -3.11 0.06 -0.04 4.37 -1.32 -0.27 -2.91 115.64 112.42 9ica s THR 292 Ca 0.31 0.14 0.04 0.00 -1.21 0.00 0.00 61.69 60.97 9ica s THR 292 Cb 0.02 -0.17 -0.00 0.00 -1.51 0.00 0.00 72.50 70.83 9ica s THR 292 CO 0.22 0.11 -0.15 -0.63 -2.21 0.00 0.00 174.62 171.96 9ica s ILE 293 N 0.97 1.27 -0.27 5.08 -1.09 -1.26 -1.75 121.20 124.14 9ica s ILE 293 Ca -0.09 -0.63 -0.24 0.00 -2.23 0.00 0.00 60.65 57.46 9ica s ILE 293 Cb -0.12 -1.10 0.09 0.00 -1.58 0.00 0.00 42.46 39.74 9ica s ILE 293 CO -0.02 0.37 0.81 0.54 -1.23 0.00 0.00 174.94 175.41 9ica s ASN 294 N 0.09 -0.67 0.00 3.58 6.03 -0.98 -4.99 114.94 118.00 9ica s ASN 294 Ca -0.04 1.29 0.00 0.00 -1.03 0.00 0.00 52.86 53.08 9ica s ASN 294 Cb -0.11 1.30 0.00 0.00 -3.03 0.00 0.00 41.25 39.41 9ica s ASN 294 CO 0.02 -0.22 0.00 -1.84 -2.03 0.00 0.00 177.10 173.03 9ica n GLU 295 N 2.65 0.00 0.00 3.55 0.00 -1.26 -0.31 120.64 125.26 9ica n GLU 295 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.02 9ica n GLU 295 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.99 9ica n GLU 295 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 9ica n TYR 296 N -0.17 0.00 -3.82 -1.84 4.01 -1.26 -2.16 117.16 111.92 9ica n TYR 296 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 9ica n TYR 296 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 9ica n TYR 296 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 9ica n THR 297 N -1.82 0.00 -3.50 -0.72 -2.24 0.57 -4.66 114.28 101.92 9ica n THR 297 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 9ica n THR 297 Cb 0.39 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.59 9ica n THR 297 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 9ica s ILE 298 N -1.69 -0.96 -0.02 2.28 2.07 -1.25 -2.31 121.20 119.31 9ica s ILE 298 Ca 0.00 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.29 9ica s ILE 298 Cb 0.00 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.58 9ica s ILE 298 CO 0.00 0.00 -0.16 -0.13 -1.91 0.00 0.00 174.94 172.74 9ica s ARG 299 N 2.87 1.44 0.25 3.50 0.52 -0.72 0.77 118.95 127.58 9ica s ARG 299 Ca 0.01 -0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 54.33 9ica s ARG 299 Cb -0.12 -1.35 -0.11 0.00 0.52 0.00 0.00 34.95 33.89 9ica s ARG 299 CO -0.19 0.32 1.55 -1.25 0.02 0.00 0.00 175.30 175.74 9ica s PRO 300 N -0.26 4.18 -0.09 3.54 0.04 -1.26 -1.11 135.00 140.04 9ica s PRO 300 Ca 0.03 2.46 -0.29 0.00 0.04 0.00 0.00 61.00 63.24 9ica s PRO 300 Cb -0.08 -3.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.37 9ica s PRO 300 CO 0.00 -0.57 0.96 -1.17 0.04 0.00 0.00 177.00 176.27 9ica s LEU 301 N -0.09 4.26 0.00 -3.56 2.96 0.88 -4.24 118.68 118.89 9ica s LEU 301 Ca 0.64 1.49 -0.15 0.00 -0.22 0.00 0.00 54.13 55.89 9ica s LEU 301 Cb -0.45 -3.49 -0.06 0.00 0.50 0.00 0.00 46.19 42.69 9ica s LEU 301 CO 0.43 -0.39 0.41 -0.83 -1.32 0.00 0.00 176.35 174.65 9ica s GLY 302 N 1.07 2.49 0.46 7.98 0.00 -1.25 -4.85 107.32 113.23 9ica s GLY 302 Ca 0.47 -0.21 0.19 0.00 0.00 0.00 0.00 44.72 45.18 9ica s GLY 302 CO 0.19 0.16 1.94 -0.24 0.00 0.00 0.00 173.10 175.14 9ica h VAL 303 N 3.69 0.76 0.00 1.40 3.04 -1.97 -3.13 116.25 120.04 9ica h VAL 303 Ca -0.52 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 9ica h VAL 303 Cb 1.22 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 9ica h VAL 303 CO 0.61 0.05 0.16 0.35 -1.01 0.00 0.00 177.57 177.73 9ica n THR 304 N -4.44 0.93 0.00 3.17 -2.24 -1.26 -4.70 114.28 105.75 9ica n THR 304 Ca 0.13 0.39 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 9ica n THR 304 Cb 0.58 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 9ica n THR 304 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 9ica n GLY 305 N -1.19 2.24 3.79 3.38 0.00 -1.19 -5.07 105.19 107.16 9ica n GLY 305 Ca 0.00 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 9ica n GLY 305 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 9ica s VAL 306 N 0.00 1.69 -0.24 1.61 -7.23 -1.22 -4.65 120.40 110.36 9ica s VAL 306 Ca 0.00 -1.76 -0.31 0.00 -1.81 0.00 0.00 61.98 58.10 9ica s VAL 306 Cb 0.00 -2.45 0.17 0.00 0.56 0.00 0.00 36.38 34.65 9ica s VAL 306 CO 0.00 0.00 1.26 0.00 -0.31 0.00 0.00 175.10 176.05 9ica s ALA 307 N -2.76 -2.08 0.00 1.32 0.00 -1.26 -3.85 121.76 113.14 9ica s ALA 307 Ca 0.26 1.78 0.00 0.00 0.00 0.00 0.00 51.96 54.00 9ica s ALA 307 Cb 0.02 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.09 9ica s ALA 307 CO 0.15 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.99 9ica n GLY 308 N 0.43 4.58 0.23 0.00 0.00 -1.26 -4.61 105.19 104.56 9ica n GLY 308 Ca -0.02 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.91 9ica n GLY 308 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 9ica n GLU 309 N -0.16 0.00 -1.64 1.61 4.71 -1.26 -4.36 120.64 119.54 9ica n GLU 309 Ca 0.00 0.08 -0.55 0.00 -0.01 0.00 0.00 57.16 56.68 9ica n GLU 309 Cb 0.00 -0.23 -0.07 0.00 -1.01 0.00 0.00 31.44 30.13 9ica n GLU 309 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 9ica n PRO 310 N -0.08 1.27 -1.61 3.49 -0.02 -1.26 -4.03 135.00 132.76 9ica n PRO 310 Ca 0.00 0.45 -0.30 0.00 -2.02 0.00 0.00 63.50 61.62 9ica n PRO 310 Cb 0.00 -2.25 0.07 0.00 -0.02 0.00 0.00 33.50 31.29 9ica n PRO 310 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 9ica s LEU 311 N 4.55 2.85 -0.38 2.45 1.02 0.23 -4.97 118.68 124.42 9ica s LEU 311 Ca 1.01 1.40 -0.21 0.00 0.02 0.00 0.00 54.13 56.34 9ica s LEU 311 Cb -0.98 -4.15 0.01 0.00 0.02 0.00 0.00 46.19 41.10 9ica s LEU 311 CO 0.60 -1.66 0.69 -2.84 0.02 0.00 0.00 176.35 173.16 9ica s PRO 312 N -5.14 3.59 -0.17 1.29 0.02 -1.26 -4.76 135.00 128.57 9ica s PRO 312 Ca 0.59 0.02 -0.03 0.00 0.02 0.00 0.00 61.00 61.60 9ica s PRO 312 Cb -0.14 -3.85 -0.02 0.00 0.02 0.00 0.00 34.50 30.51 9ica s PRO 312 CO 0.54 -0.86 -0.06 0.08 -0.33 0.00 0.00 177.00 176.38 9ica s VAL 313 N 2.89 3.56 -0.26 3.83 1.01 -1.26 -4.99 120.40 125.17 9ica s VAL 313 Ca 0.26 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.81 9ica s VAL 313 Cb -0.14 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 9ica s VAL 313 CO 0.17 0.48 0.36 0.47 0.00 0.00 0.00 175.10 176.57 9ica n ASP 314 N 3.93 0.70 -3.60 3.32 9.92 -1.26 -4.91 116.55 124.64 9ica n ASP 314 Ca -0.18 -0.85 -0.03 0.00 -0.53 0.00 0.00 54.79 53.20 9ica n ASP 314 Cb 0.52 0.50 -0.01 0.00 -0.64 0.00 0.00 41.12 41.49 9ica n ASP 314 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 9ica s SER 315 N -0.77 -0.15 0.07 -2.24 0.15 -1.26 -4.99 113.70 104.52 9ica s SER 315 Ca 0.02 -0.08 0.05 0.00 0.70 0.00 0.00 55.95 56.64 9ica s SER 315 Cb 0.02 0.22 0.27 0.00 -1.71 0.00 0.00 66.02 64.82 9ica s SER 315 CO 0.08 -0.38 1.15 -0.62 1.20 0.00 0.00 173.24 174.67 9ica n GLU 316 N -0.26 0.03 0.07 5.44 1.02 -1.26 -2.17 120.64 123.51 9ica n GLU 316 Ca -0.04 0.53 -0.03 0.00 -0.02 0.00 0.00 57.16 57.60 9ica n GLU 316 Cb 0.60 -1.61 -0.01 0.00 -0.02 0.00 0.00 31.44 30.40 9ica n GLU 316 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 9ica h LYS 317 N 0.00 -0.19 -1.05 3.49 1.63 -2.00 -3.17 116.57 115.28 9ica h LYS 317 Ca 0.00 0.01 0.36 0.00 -0.85 0.00 0.00 60.65 60.17 9ica h LYS 317 Cb 0.00 0.04 -0.10 0.00 -0.60 0.00 0.00 32.23 31.57 9ica h LYS 317 CO 0.00 -0.13 0.68 -0.25 -3.45 0.00 0.00 179.45 176.30 9ica n ASP 318 N -2.82 0.15 -0.02 4.20 8.00 -0.92 0.13 116.55 125.27 9ica n ASP 318 Ca -0.02 1.01 -0.15 0.00 0.71 0.00 0.00 54.79 56.33 9ica n ASP 318 Cb 0.08 -0.50 -0.10 0.00 -0.02 0.00 0.00 41.12 40.59 9ica n ASP 318 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 9ica h ILE 319 N 0.00 1.43 0.66 0.53 2.04 -1.65 -1.86 117.51 118.66 9ica h ILE 319 Ca 0.65 -1.81 -0.03 0.00 1.00 0.00 0.00 64.86 64.68 9ica h ILE 319 Cb 2.14 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 40.61 9ica h ILE 319 CO -0.33 0.52 -0.43 -0.26 0.00 0.00 0.00 178.15 177.66 9ica h PHE 320 N -0.15 -1.14 -0.92 1.37 0.04 0.11 -2.27 116.94 113.99 9ica h PHE 320 Ca -0.03 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.82 9ica h PHE 320 Cb 1.05 0.41 -0.11 0.00 2.20 0.00 0.00 35.95 39.49 9ica h PHE 320 CO 0.13 -0.63 -0.53 -0.25 -0.60 0.00 0.00 178.31 176.43 9ica n ASP 321 N -5.56 -0.94 -0.11 2.17 8.00 -0.45 0.63 116.55 120.30 9ica n ASP 321 Ca -0.13 1.64 -0.03 0.00 0.71 0.00 0.00 54.79 56.98 9ica n ASP 321 Cb 0.44 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 9ica n ASP 321 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 9ica h TYR 322 N 0.00 -0.51 -0.08 1.24 -1.99 -1.00 1.80 116.97 116.43 9ica h TYR 322 Ca 0.17 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.93 9ica h TYR 322 Cb 0.40 0.26 0.00 0.00 2.00 0.00 0.00 36.73 39.38 9ica h TYR 322 CO -0.94 -0.10 0.00 0.44 -0.00 0.00 0.00 178.16 177.56 9ica n ILE 323 N -3.60 0.27 -4.14 -2.88 -5.35 -0.44 -4.87 119.36 98.35 9ica n ILE 323 Ca 0.00 -0.16 -0.30 0.00 -0.27 0.00 0.00 62.75 62.02 9ica n ILE 323 Cb 0.07 -0.28 -0.05 0.00 -1.74 0.00 0.00 39.64 37.64 9ica n ILE 323 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 9ica n GLN 324 N -0.03 -1.74 -2.84 6.28 10.64 0.61 -4.91 117.38 125.39 9ica n GLN 324 Ca 0.03 0.22 -0.18 0.00 -1.83 0.00 0.00 57.00 55.24 9ica n GLN 324 Cb 0.26 -3.85 0.05 0.00 -0.86 0.00 0.00 30.24 25.85 9ica n GLN 324 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.06 177.10 9ica n TRP 325 N -4.55 -2.20 -3.02 2.61 -0.00 -0.17 -4.94 117.44 105.18 9ica n TRP 325 Ca -0.29 -1.91 -0.40 0.00 -0.00 0.00 0.00 57.50 54.90 9ica n TRP 325 Cb 0.68 -0.48 -0.05 0.00 -0.00 0.00 0.00 31.31 31.46 9ica n TRP 325 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 177.69 176.10 9ica s LYS 326 N -4.31 4.45 -0.03 5.87 -2.85 -1.26 -4.54 119.74 117.06 9ica s LYS 326 Ca 0.52 0.94 -0.30 0.00 -1.00 0.00 0.00 55.97 56.13 9ica s LYS 326 Cb -0.04 -3.43 -0.05 0.00 -2.06 0.00 0.00 37.83 32.24 9ica s LYS 326 CO 0.33 0.09 1.52 -0.47 0.10 0.00 0.00 175.35 176.92 9ica s TYR 327 N 0.68 2.43 -0.29 1.78 6.14 -1.26 -4.93 117.35 121.90 9ica s TYR 327 Ca 0.39 0.51 -0.12 0.00 0.64 0.00 0.00 57.07 58.49 9ica s TYR 327 Cb -0.18 -3.79 -0.04 0.00 0.42 0.00 0.00 41.96 38.37 9ica s TYR 327 CO 0.19 -3.13 0.22 1.03 0.64 0.00 0.00 175.55 174.51 9ica s ARG 328 N 3.25 3.87 0.46 4.97 0.52 -1.26 -5.06 118.95 125.70 9ica s ARG 328 Ca 0.68 -0.34 -0.24 0.00 -0.52 0.00 0.00 55.73 55.31 9ica s ARG 328 Cb -0.32 -3.69 -0.09 0.00 0.52 0.00 0.00 34.95 31.37 9ica s ARG 328 CO 0.27 -0.24 1.22 0.39 0.02 0.00 0.00 175.30 176.96 9ica n GLU 329 N 5.11 1.72 -0.28 3.54 1.02 -1.26 -4.82 120.64 125.66 9ica n GLU 329 Ca -0.13 0.62 0.20 0.00 -0.02 0.00 0.00 57.16 57.82 9ica n GLU 329 Cb 0.51 -2.35 0.49 0.00 -0.02 0.00 0.00 31.44 30.08 9ica n GLU 329 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 9ica h PRO 330 N 1.77 0.43 -0.92 3.49 0.10 -1.97 -0.70 132.00 134.20 9ica h PRO 330 Ca -0.48 -0.03 0.20 0.00 0.10 0.00 0.00 66.00 65.79 9ica h PRO 330 Cb 1.31 -0.10 -0.17 0.00 0.10 0.00 0.00 31.00 32.14 9ica h PRO 330 CO 0.58 0.28 -0.18 -0.22 0.10 0.00 0.00 178.00 178.57 9ica h LYS 331 N 0.44 0.01 -1.73 1.05 3.64 -1.83 -0.56 116.57 117.60 9ica h LYS 331 Ca 0.52 -0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 59.18 9ica h LYS 331 Cb 1.25 -0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 32.76 9ica h LYS 331 CO -0.23 0.01 0.65 -0.40 -2.27 0.00 0.00 179.45 177.20 9ica n ASP 332 N -5.56 6.96 -1.19 4.20 5.68 -0.27 -4.35 116.55 122.02 9ica n ASP 332 Ca 0.15 -3.81 0.10 0.00 -0.50 0.00 0.00 54.79 50.73 9ica n ASP 332 Cb 0.51 -0.92 0.28 0.00 -1.14 0.00 0.00 41.12 39.85 9ica n ASP 332 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 9ica n ARG 333 N -0.59 2.92 0.10 0.11 5.12 -0.22 -4.60 116.66 119.50 9ica n ARG 333 Ca 0.52 -2.55 0.19 0.00 -1.93 0.00 0.00 57.85 54.09 9ica n ARG 333 Cb 0.40 -1.55 0.62 0.00 -1.16 0.00 0.00 32.46 30.77 9ica n ARG 333 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 9ica h SER 334 N 3.62 0.00 0.00 0.55 0.02 -1.78 -1.90 113.55 114.06 9ica h SER 334 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 9ica h SER 334 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 9ica h SER 334 CO 0.04 0.00 0.00 -1.84 -1.14 0.00 0.00 176.83 173.89