#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 8icx n THR 10 N 0.00 0.00 0.03 2.62 5.66 -1.26 -4.73 114.28 116.60 8icx n THR 10 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 8icx n THR 10 Cb 0.00 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.65 8icx n THR 10 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 8icx h LEU 11 N 0.00 0.15 -1.33 1.09 -0.00 -1.97 -3.32 115.31 109.93 8icx h LEU 11 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 8icx h LEU 11 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 8icx h LEU 11 CO 0.00 1.18 -0.28 0.59 -0.00 0.00 0.00 178.44 179.93 8icx n ASN 12 N -3.29 2.34 0.00 0.17 5.03 -1.26 -4.70 115.26 113.55 8icx n ASN 12 Ca -0.12 -1.67 0.00 0.00 0.87 0.00 0.00 54.58 53.66 8icx n ASN 12 Cb 1.01 0.28 0.00 0.00 -1.02 0.00 0.00 39.78 40.05 8icx n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 8icx n GLY 13 N 1.39 -1.16 0.23 7.41 0.00 -1.25 -1.96 105.19 109.85 8icx n GLY 13 Ca 0.11 0.23 -0.06 0.00 0.00 0.00 0.00 46.02 46.30 8icx n GLY 13 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 8icx h GLY 14 N 0.00 0.05 -0.14 -0.02 0.00 -1.86 0.60 103.07 101.69 8icx h GLY 14 Ca 0.00 0.23 0.07 0.00 0.00 0.00 0.00 47.33 47.63 8icx h GLY 14 CO 0.00 -0.18 -0.35 -2.22 0.00 0.00 0.00 176.54 173.79 8icx h ILE 15 N -0.14 0.21 -0.50 2.60 2.04 -1.80 1.27 117.51 121.19 8icx h ILE 15 Ca 0.17 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.95 8icx h ILE 15 Cb 0.40 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 8icx h ILE 15 CO -0.41 0.00 -0.02 0.71 0.00 0.00 0.00 178.15 178.43 8icx h THR 16 N -0.30 1.25 -0.38 -0.27 1.35 -0.90 -1.45 112.91 112.21 8icx h THR 16 Ca 0.15 -1.07 -0.14 0.00 -0.55 0.00 0.00 66.41 64.80 8icx h THR 16 Cb 0.55 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 8icx h THR 16 CO -0.51 0.38 -0.31 0.44 -0.25 0.00 0.00 175.52 175.27 8icx h ASP 17 N 0.79 0.93 -0.43 5.36 3.32 0.31 0.35 116.42 127.05 8icx h ASP 17 Ca 0.15 -0.45 -0.11 0.00 0.02 0.00 0.00 57.03 56.64 8icx h ASP 17 Cb 0.50 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 8icx h ASP 17 CO 0.02 1.18 -0.16 0.00 -1.72 0.00 0.00 179.24 178.57 8icx h MET 18 N 0.70 0.92 -0.67 3.56 -0.00 0.16 -0.96 114.93 118.63 8icx h MET 18 Ca 0.07 -0.35 0.08 0.00 -0.00 0.00 0.00 59.70 59.50 8icx h MET 18 Cb 0.89 -0.05 -0.07 0.00 -0.00 0.00 0.00 31.60 32.37 8icx h MET 18 CO 0.08 1.00 0.33 -0.07 -0.00 0.00 0.00 176.91 178.25 8icx h LEU 19 N 0.81 0.43 -0.18 -0.10 4.07 -1.08 0.30 115.31 119.56 8icx h LEU 19 Ca 0.12 0.05 -0.07 0.00 0.08 0.00 0.00 57.88 58.07 8icx h LEU 19 Cb 0.70 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.42 8icx h LEU 19 CO 0.05 0.26 -0.15 0.71 -1.08 0.00 0.00 178.44 178.23 8icx h THR 20 N 0.58 1.33 -0.52 0.22 1.35 -0.02 -1.01 112.91 114.84 8icx h THR 20 Ca 0.32 -1.29 0.09 0.00 -0.55 0.00 0.00 66.41 64.98 8icx h THR 20 Cb 0.31 1.79 -0.10 0.00 -1.73 0.00 0.00 68.15 68.42 8icx h THR 20 CO -0.25 0.38 -0.40 -0.33 -0.25 0.00 0.00 175.52 174.67 8icx h GLU 21 N 0.07 -0.23 0.01 4.72 5.08 -0.42 0.23 114.58 124.04 8icx h GLU 21 Ca 0.03 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 8icx h GLU 21 Cb 0.67 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 8icx h GLU 21 CO 0.04 -0.15 -0.46 -0.07 -1.00 0.00 0.00 179.01 177.36 8icx h LEU 22 N -0.24 -1.42 0.25 1.33 -0.00 -0.38 -1.72 115.31 113.14 8icx h LEU 22 Ca 0.18 0.17 0.01 0.00 -0.00 0.00 0.00 57.88 58.23 8icx h LEU 22 Cb 0.56 0.55 -0.03 0.00 -0.00 0.00 0.00 40.66 41.74 8icx h LEU 22 CO -0.64 -0.49 -0.41 0.00 -0.00 0.00 0.00 178.44 176.90 8icx h ALA 23 N -0.19 -0.80 -0.92 1.53 0.00 -0.52 -2.20 119.26 116.17 8icx h ALA 23 Ca 0.03 -0.10 0.24 0.00 0.00 0.00 0.00 54.91 55.08 8icx h ALA 23 Cb 0.69 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 8icx h ALA 23 CO -0.33 -1.00 0.64 -0.91 0.00 0.00 0.00 179.25 177.64 8icx h ASN 24 N -0.73 0.17 -0.27 0.00 2.35 -0.76 0.71 115.58 117.05 8icx h ASN 24 Ca -0.00 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.67 8icx h ASN 24 Cb 0.70 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 8icx h ASN 24 CO -0.16 0.06 -0.21 0.15 -1.65 0.00 0.00 177.43 175.62 8icx h PHE 25 N 0.17 0.74 -0.56 1.19 3.57 -0.70 -2.73 116.94 118.63 8icx h PHE 25 Ca 0.46 -0.21 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 8icx h PHE 25 Cb 1.53 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 40.08 8icx h PHE 25 CO -0.00 0.91 0.17 0.93 -2.23 0.00 0.00 178.31 178.10 8icx h GLU 26 N 0.36 0.87 -0.23 1.11 4.39 -0.57 -2.39 114.58 118.12 8icx h GLU 26 Ca 0.05 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 8icx h GLU 26 Cb 0.76 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 8icx h GLU 26 CO 0.06 0.79 -0.10 1.57 -1.16 0.00 0.00 179.01 180.17 8icx h LYS 27 N 0.78 0.38 0.00 2.33 5.09 -1.34 -2.47 116.57 121.34 8icx h LYS 27 Ca 0.18 -0.09 0.00 0.00 0.09 0.00 0.00 60.65 60.83 8icx h LYS 27 Cb 0.28 -0.05 0.00 0.00 0.10 0.00 0.00 32.23 32.57 8icx h LYS 27 CO -0.01 0.49 0.00 0.09 -2.09 0.00 0.00 179.45 177.93 8icx n ASN 28 N -4.25 0.00 -0.30 7.07 5.03 -1.03 -4.58 115.26 117.19 8icx n ASN 28 Ca 0.00 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.58 8icx n ASN 28 Cb 0.28 0.00 0.30 0.00 -1.02 0.00 0.00 39.78 39.34 8icx n ASN 28 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 8icx h VAL 29 N 0.00 0.46 -2.24 2.41 2.07 -1.62 -3.42 116.25 113.91 8icx h VAL 29 Ca 0.00 -0.13 -0.50 0.00 0.82 0.00 0.00 66.70 66.89 8icx h VAL 29 Cb 0.00 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 29.78 8icx h VAL 29 CO 0.00 0.07 -0.50 -0.94 0.02 0.00 0.00 177.57 176.21 8icx s SER 30 N -5.17 5.74 -0.48 0.57 1.04 -0.93 -5.01 113.70 109.46 8icx s SER 30 Ca -0.12 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.19 8icx s SER 30 Cb 0.25 -1.53 0.63 0.00 0.10 0.00 0.00 66.02 65.47 8icx s SER 30 CO 0.78 -0.04 1.92 1.67 0.98 0.00 0.00 173.24 178.55 8icx n GLN 31 N -1.17 2.31 -1.39 4.02 7.27 -1.24 -4.10 117.38 123.08 8icx n GLN 31 Ca -0.08 -3.07 -0.32 0.00 0.07 0.00 0.00 57.00 53.60 8icx n GLN 31 Cb 0.57 -2.18 -0.06 0.00 2.41 0.00 0.00 30.24 30.98 8icx n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 8icx n ALA 32 N -1.11 7.06 -0.51 1.69 0.00 -1.21 -4.81 120.51 121.62 8icx n ALA 32 Ca 0.59 -3.20 0.42 0.00 0.00 0.00 0.00 53.44 51.26 8icx n ALA 32 Cb 1.48 -2.90 0.70 0.00 0.00 0.00 0.00 19.45 18.73 8icx n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 8icx h ILE 33 N 2.60 0.01 0.36 0.00 6.09 -1.85 -0.33 117.51 124.38 8icx h ILE 33 Ca 0.64 -0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 64.11 8icx h ILE 33 Cb 0.61 0.00 0.00 0.00 0.47 0.00 0.00 36.82 37.91 8icx h ILE 33 CO 1.28 0.00 -0.17 0.45 -3.07 0.00 0.00 178.15 176.64 8icx h HIS 34 N 0.00 -0.44 -0.90 2.19 3.86 -1.97 0.80 115.15 118.68 8icx h HIS 34 Ca 0.89 -0.01 0.16 0.00 -1.16 0.00 0.00 60.37 60.26 8icx h HIS 34 Cb 2.97 0.15 -0.07 0.00 1.06 0.00 0.00 27.41 31.51 8icx h HIS 34 CO -0.01 -0.28 0.58 0.87 0.86 0.00 0.00 177.93 179.96 8icx h LYS 35 N -0.68 0.60 -0.69 2.45 1.57 -1.82 1.47 116.57 119.48 8icx h LYS 35 Ca -0.05 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 8icx h LYS 35 Cb 0.37 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 8icx h LYS 35 CO 0.08 0.40 0.15 -0.92 -0.57 0.00 0.00 179.45 178.59 8icx h TYR 36 N 0.62 1.19 0.00 -1.35 3.20 -1.09 -0.86 116.97 118.68 8icx h TYR 36 Ca 0.47 -0.15 -0.08 0.00 3.14 0.00 0.00 58.73 62.10 8icx h TYR 36 Cb 0.86 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 8icx h TYR 36 CO -0.00 0.98 -0.39 -0.91 -1.64 0.00 0.00 178.16 176.19 8icx h ASN 37 N 1.06 0.00 0.00 -2.11 -0.26 0.34 -3.04 115.58 111.57 8icx h ASN 37 Ca 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.95 8icx h ASN 37 Cb 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.66 8icx h ASN 37 CO 0.01 0.39 0.00 0.00 -1.06 0.00 0.00 177.43 176.77 8icx n ALA 38 N -2.31 -0.41 -0.33 -0.83 0.00 0.42 -2.95 120.51 114.09 8icx n ALA 38 Ca -0.00 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.76 8icx n ALA 38 Cb 0.51 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.54 8icx n ALA 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 8icx n TYR 39 N -1.94 1.06 -0.06 0.00 4.01 -0.44 -1.66 117.16 118.13 8icx n TYR 39 Ca 0.00 1.07 -0.14 0.00 -0.16 0.00 0.00 57.90 58.67 8icx n TYR 39 Cb 0.00 -1.48 -0.06 0.00 -0.31 0.00 0.00 39.34 37.49 8icx n TYR 39 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 8icx h ARG 40 N 0.00 0.60 -0.56 -0.72 0.11 -1.54 0.35 114.38 112.63 8icx h ARG 40 Ca 0.82 -0.38 -0.10 0.00 0.10 0.00 0.00 59.98 60.42 8icx h ARG 40 Cb 2.25 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 33.35 8icx h ARG 40 CO -0.70 0.99 -0.05 1.57 0.10 0.00 0.00 179.97 181.87 8icx h LYS 41 N 0.28 1.02 0.43 0.08 -0.00 -1.20 0.53 116.57 117.70 8icx h LYS 41 Ca 0.01 -0.35 -0.01 0.00 -0.00 0.00 0.00 60.65 60.30 8icx h LYS 41 Cb 0.96 -0.08 -0.01 0.00 -0.00 0.00 0.00 32.23 33.10 8icx h LYS 41 CO 0.08 1.04 -0.29 0.00 -0.00 0.00 0.00 179.45 180.28 8icx h ALA 42 N 0.95 -0.70 -0.64 0.07 0.00 -1.50 0.46 119.26 117.90 8icx h ALA 42 Ca 0.15 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.08 8icx h ALA 42 Cb 0.61 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 8icx h ALA 42 CO 0.04 -0.91 0.44 0.00 0.00 0.00 0.00 179.25 178.82 8icx h ALA 43 N -0.19 2.31 -0.12 0.00 0.00 -0.08 0.11 119.26 121.30 8icx h ALA 43 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 8icx h ALA 43 Cb 0.58 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 8icx h ALA 43 CO 0.03 -0.49 -0.02 1.03 0.00 0.00 0.00 179.25 179.80 8icx h SER 44 N 0.20 0.22 0.00 0.00 0.87 0.29 -3.11 113.55 112.03 8icx h SER 44 Ca 0.31 -0.35 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 8icx h SER 44 Cb 0.93 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 8icx h SER 44 CO -0.06 0.51 -0.00 -0.37 -0.53 0.00 0.00 176.83 176.39 8icx h VAL 45 N -0.08 1.52 -0.28 2.23 -1.51 0.13 -3.15 116.25 115.11 8icx h VAL 45 Ca 0.03 -1.57 0.08 0.00 -1.23 0.00 0.00 66.70 64.01 8icx h VAL 45 Cb 0.41 2.59 -0.01 0.00 -2.13 0.00 0.00 31.29 32.15 8icx h VAL 45 CO 0.01 0.41 0.23 0.16 -1.23 0.00 0.00 177.57 177.14 8icx h ILE 46 N -0.67 0.72 -0.68 7.19 3.07 -1.20 0.20 117.51 126.14 8icx h ILE 46 Ca -0.00 0.00 0.02 0.00 1.55 0.00 0.00 64.86 66.43 8icx h ILE 46 Cb 0.67 0.84 -0.04 0.00 -0.27 0.00 0.00 36.82 38.02 8icx h ILE 46 CO 0.00 0.00 0.43 0.00 -1.05 0.00 0.00 178.15 177.53 8icx h ALA 47 N 1.81 0.87 -0.12 0.16 0.00 -1.52 -2.76 119.26 117.71 8icx h ALA 47 Ca 0.13 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 8icx h ALA 47 Cb 0.58 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 8icx h ALA 47 CO -0.00 0.23 -0.67 0.87 0.00 0.00 0.00 179.25 179.68 8icx h LYS 48 N 0.86 0.47 -6.24 0.00 1.57 -0.95 -3.37 116.57 108.92 8icx h LYS 48 Ca 0.26 -0.35 -0.68 0.00 -1.87 0.00 0.00 60.65 58.01 8icx h LYS 48 Cb -0.03 0.06 0.03 0.00 0.08 0.00 0.00 32.23 32.37 8icx h LYS 48 CO -0.08 0.97 0.88 0.98 -0.57 0.00 0.00 179.45 181.62 8icx n TYR 49 N -3.88 2.07 0.31 -1.35 9.36 -0.76 -4.84 117.16 118.07 8icx n TYR 49 Ca -0.04 0.37 0.00 0.00 3.32 0.00 0.00 57.90 61.55 8icx n TYR 49 Cb 0.67 -2.51 0.00 0.00 -0.63 0.00 0.00 39.34 36.88 8icx n TYR 49 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 8icx n PRO 50 N 5.09 0.16 -3.45 2.98 -0.02 -1.26 -4.82 135.00 133.67 8icx n PRO 50 Ca 0.23 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.60 8icx n PRO 50 Cb 0.20 -1.00 -0.02 0.00 -0.02 0.00 0.00 33.50 32.66 8icx n PRO 50 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 8icx s HIS 51 N -2.00 -0.48 -0.09 6.00 3.76 -1.26 -5.10 115.29 116.12 8icx s HIS 51 Ca 0.00 0.29 -0.29 0.00 -0.15 0.00 0.00 55.06 54.91 8icx s HIS 51 Cb 0.00 0.56 -0.06 0.00 1.11 0.00 0.00 32.58 34.18 8icx s HIS 51 CO 0.00 -0.78 1.97 0.15 -0.85 0.00 0.00 174.74 175.24 8icx s LYS 52 N -3.59 3.77 0.07 1.40 1.02 -1.26 -4.89 119.74 116.27 8icx s LYS 52 Ca 0.02 2.26 -0.31 0.00 0.02 0.00 0.00 55.97 57.96 8icx s LYS 52 Cb -0.01 -4.20 -0.07 0.00 -0.52 0.00 0.00 37.83 33.03 8icx s LYS 52 CO -0.12 -1.37 1.39 0.42 -0.92 0.00 0.00 175.35 174.76 8icx s ILE 53 N 5.76 3.47 -1.74 2.17 1.01 -1.26 -4.91 121.20 125.71 8icx s ILE 53 Ca 0.89 1.01 0.17 0.00 0.00 0.00 0.00 60.65 62.71 8icx s ILE 53 Cb -0.36 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.50 8icx s ILE 53 CO 0.37 0.05 0.93 0.29 0.00 0.00 0.00 174.94 176.58 8icx n LYS 54 N 4.45 1.58 -3.61 2.79 4.01 -1.26 -5.04 118.16 121.08 8icx n LYS 54 Ca 0.12 -1.06 -0.02 0.00 -0.51 0.00 0.00 58.31 56.84 8icx n LYS 54 Cb 0.43 -1.30 -0.02 0.00 -0.51 0.00 0.00 35.03 33.63 8icx n LYS 54 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 8icx s SER 55 N -1.79 -0.07 0.10 4.39 1.04 -1.26 -5.00 113.70 111.11 8icx s SER 55 Ca 0.16 -0.02 -0.27 0.00 0.48 0.00 0.00 55.95 56.29 8icx s SER 55 Cb 0.14 0.09 -0.10 0.00 0.10 0.00 0.00 66.02 66.25 8icx s SER 55 CO 0.35 -0.15 1.45 1.23 0.98 0.00 0.00 173.24 177.10 8icx h GLY 56 N 2.00 -1.18 -1.00 7.32 0.00 -1.90 -1.63 103.07 106.68 8icx h GLY 56 Ca -0.13 0.71 0.17 0.00 0.00 0.00 0.00 47.33 48.08 8icx h GLY 56 CO 0.23 -0.25 -0.33 0.00 0.00 0.00 0.00 176.54 176.19 8icx n ALA 57 N -2.97 0.02 -0.16 3.60 0.00 -1.26 0.22 120.51 119.97 8icx n ALA 57 Ca -0.04 1.03 -0.03 0.00 0.00 0.00 0.00 53.44 54.40 8icx n ALA 57 Cb 0.30 -0.53 0.06 0.00 0.00 0.00 0.00 19.45 19.28 8icx n ALA 57 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 8icx h GLU 58 N 0.00 0.35 -0.03 0.00 4.81 -1.79 -1.78 114.58 116.14 8icx h GLU 58 Ca 0.40 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.61 8icx h GLU 58 Cb 0.65 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 8icx h GLU 58 CO -1.00 0.23 0.01 0.00 -0.73 0.00 0.00 179.01 177.51 8icx h ALA 59 N 1.33 0.04 -1.48 2.92 0.00 0.90 -3.18 119.26 119.78 8icx h ALA 59 Ca 0.24 -0.12 0.49 0.00 0.00 0.00 0.00 54.91 55.52 8icx h ALA 59 Cb 0.25 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.90 8icx h ALA 59 CO -0.24 -0.35 0.98 -0.22 0.00 0.00 0.00 179.25 179.42 8icx h LYS 60 N -0.17 0.02 -0.01 0.00 3.64 0.36 0.40 116.57 120.81 8icx h LYS 60 Ca 0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 8icx h LYS 60 Cb 0.23 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 8icx h LYS 60 CO 0.00 0.01 0.06 0.87 -2.27 0.00 0.00 179.45 178.12 8icx h LYS 61 N 0.02 0.00 -6.91 1.90 1.57 -1.43 -3.42 116.57 108.30 8icx h LYS 61 Ca 0.88 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 59.18 8icx h LYS 61 Cb 2.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.29 8icx h LYS 61 CO -0.38 0.00 0.40 -0.51 -0.57 0.00 0.00 179.45 178.39 8icx s LEU 62 N -6.34 4.28 0.02 2.94 1.02 0.14 -4.98 118.68 115.75 8icx s LEU 62 Ca -0.05 2.00 -0.30 0.00 0.02 0.00 0.00 54.13 55.80 8icx s LEU 62 Cb 0.13 -4.04 -0.07 0.00 0.02 0.00 0.00 46.19 42.23 8icx s LEU 62 CO 0.41 -0.28 1.59 -2.84 0.02 0.00 0.00 176.35 175.26 8icx s PRO 63 N -2.17 4.21 0.00 1.29 0.01 -1.26 0.44 135.00 137.53 8icx s PRO 63 Ca 0.53 2.21 0.00 0.00 0.01 0.00 0.00 61.00 63.74 8icx s PRO 63 Cb -0.22 -3.70 0.00 0.00 0.01 0.00 0.00 34.50 30.59 8icx s PRO 63 CO 0.28 -0.73 0.00 0.41 0.01 0.00 0.00 177.00 176.97 8icx n GLY 64 N 3.95 0.39 3.37 0.52 0.00 -1.26 -4.74 105.19 107.43 8icx n GLY 64 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 8icx n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 8icx s VAL 65 N -2.14 5.01 0.37 1.61 -7.23 0.17 -4.66 120.40 113.53 8icx s VAL 65 Ca 0.00 -1.05 -0.03 0.00 -1.81 0.00 0.00 61.98 59.09 8icx s VAL 65 Cb 0.00 -4.35 0.08 0.00 0.56 0.00 0.00 36.38 32.67 8icx s VAL 65 CO 0.00 -0.90 0.50 0.61 -0.31 0.00 0.00 175.10 175.00 8icx n GLY 66 N 5.24 -0.21 0.12 2.32 0.00 -1.26 -4.71 105.19 106.69 8icx n GLY 66 Ca -0.11 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 8icx n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8icx h THR 67 N -0.87 1.51 0.23 2.61 1.03 -1.94 -2.56 112.91 112.91 8icx h THR 67 Ca -0.16 -2.75 0.00 0.00 -0.01 0.00 0.00 66.41 63.49 8icx h THR 67 Cb 0.52 2.58 -0.04 0.00 -1.07 0.00 0.00 68.15 70.14 8icx h THR 67 CO 0.14 0.80 -0.48 0.11 -0.01 0.00 0.00 175.52 176.09 8icx h LYS 68 N 0.10 -0.74 0.05 0.00 1.57 -1.98 -2.32 116.57 113.25 8icx h LYS 68 Ca -0.06 0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 8icx h LYS 68 Cb 1.62 0.17 0.00 0.00 0.08 0.00 0.00 32.23 34.09 8icx h LYS 68 CO 0.15 -0.49 -0.02 0.82 -0.57 0.00 0.00 179.45 179.33 8icx h ILE 69 N -0.76 1.11 -0.93 1.86 2.04 -1.95 -3.17 117.51 115.70 8icx h ILE 69 Ca -0.02 -0.54 0.26 0.00 1.00 0.00 0.00 64.86 65.56 8icx h ILE 69 Cb 0.73 1.47 -0.14 0.00 -0.74 0.00 0.00 36.82 38.13 8icx h ILE 69 CO -0.19 0.14 0.39 0.00 0.00 0.00 0.00 178.15 178.48 8icx h ALA 70 N 0.63 1.55 -0.52 1.87 0.00 -1.44 1.25 119.26 122.61 8icx h ALA 70 Ca -0.01 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 8icx h ALA 70 Cb 0.27 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 8icx h ALA 70 CO 0.01 -0.47 0.22 1.49 0.00 0.00 0.00 179.25 180.50 8icx h GLU 71 N 0.29 0.73 -0.29 0.00 4.81 -1.39 -0.88 114.58 117.85 8icx h GLU 71 Ca 0.62 -0.10 -0.14 0.00 -0.13 0.00 0.00 59.36 59.61 8icx h GLU 71 Cb 1.30 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 8icx h GLU 71 CO -0.61 0.59 -0.38 0.87 -0.73 0.00 0.00 179.01 178.74 8icx h LYS 72 N 0.73 0.76 -0.16 1.92 1.57 0.15 -2.91 116.57 118.62 8icx h LYS 72 Ca 0.18 -0.44 0.05 0.00 -1.87 0.00 0.00 60.65 58.57 8icx h LYS 72 Cb 0.11 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 8icx h LYS 72 CO -0.02 1.06 -0.14 0.82 -0.57 0.00 0.00 179.45 180.60 8icx h ILE 73 N 0.51 0.60 -0.19 1.86 2.04 -0.38 -1.12 117.51 120.84 8icx h ILE 73 Ca 0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.95 8icx h ILE 73 Cb 0.97 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 8icx h ILE 73 CO 0.09 0.00 -0.31 0.44 0.00 0.00 0.00 178.15 178.37 8icx h ASP 74 N -0.16 -0.96 -0.35 1.72 3.32 -1.05 0.76 116.42 119.70 8icx h ASP 74 Ca 0.10 0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.36 8icx h ASP 74 Cb 0.32 0.42 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 8icx h ASP 74 CO -0.26 -0.34 0.24 -0.08 -1.72 0.00 0.00 179.24 177.08 8icx h GLU 75 N -0.35 0.22 0.11 3.56 4.81 -1.31 1.22 114.58 122.86 8icx h GLU 75 Ca 0.11 -0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 59.06 8icx h GLU 75 Cb 0.53 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.86 8icx h GLU 75 CO -0.38 0.15 -1.22 0.35 -0.73 0.00 0.00 179.01 177.17 8icx h PHE 76 N 0.23 0.44 -0.09 0.92 3.57 0.19 -0.96 116.94 121.24 8icx h PHE 76 Ca 0.15 -0.32 -0.24 0.00 3.53 0.00 0.00 57.97 61.09 8icx h PHE 76 Cb 0.32 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.05 8icx h PHE 76 CO -0.00 1.25 -0.89 -0.07 -2.23 0.00 0.00 178.31 176.37 8icx h LEU 77 N 0.07 0.91 0.24 0.59 4.07 0.32 -3.33 115.31 118.17 8icx h LEU 77 Ca -0.12 -0.65 -0.01 0.00 0.08 0.00 0.00 57.88 57.18 8icx h LEU 77 Cb 1.95 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 43.42 8icx h LEU 77 CO 0.20 1.45 -0.12 0.00 -1.08 0.00 0.00 178.44 178.88 8icx h ALA 78 N 0.51 -1.07 -3.24 1.53 0.00 0.13 -3.41 119.26 113.72 8icx h ALA 78 Ca -0.08 -0.07 -0.61 0.00 0.00 0.00 0.00 54.91 54.14 8icx h ALA 78 Cb 1.52 0.16 -0.14 0.00 0.00 0.00 0.00 17.79 19.33 8icx h ALA 78 CO 0.18 -1.04 -0.53 0.95 0.00 0.00 0.00 179.25 178.81 8icx s THR 79 N -3.74 5.10 0.00 0.00 -4.23 -0.37 -4.96 115.64 107.45 8icx s THR 79 Ca -0.05 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 8icx s THR 79 Cb 0.01 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.52 8icx s THR 79 CO 0.15 0.43 0.13 0.61 -0.54 0.00 0.00 174.62 175.40 8icx n GLY 80 N 3.68 0.62 0.00 3.99 0.00 -1.26 -4.16 105.19 108.07 8icx n GLY 80 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 8icx n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 8icx n LYS 81 N 2.24 0.00 -3.65 1.61 4.76 -1.26 -5.09 118.16 116.77 8icx n LYS 81 Ca 0.00 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 8icx n LYS 81 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 8icx n LYS 81 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 8icx s LEU 82 N 0.00 -1.00 0.13 -0.35 2.96 -1.26 -3.66 118.68 115.49 8icx s LEU 82 Ca 0.00 1.52 -0.18 0.00 -0.22 0.00 0.00 54.13 55.25 8icx s LEU 82 Cb 0.00 2.31 -0.04 0.00 0.50 0.00 0.00 46.19 48.96 8icx s LEU 82 CO 0.00 -0.23 1.75 -0.09 -1.32 0.00 0.00 176.35 176.46 8icx h ARG 83 N 7.41 0.38 -0.69 1.98 2.43 -1.99 0.77 114.38 124.68 8icx h ARG 83 Ca -0.25 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 58.92 8icx h ARG 83 Cb 1.18 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.61 8icx h ARG 83 CO 0.14 0.31 0.45 -0.22 -1.51 0.00 0.00 179.97 179.14 8icx h LYS 84 N 0.35 0.79 -0.27 0.20 3.64 -1.99 0.43 116.57 119.72 8icx h LYS 84 Ca 0.10 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.27 8icx h LYS 84 Cb 0.02 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 8icx h LYS 84 CO -0.02 0.52 -0.47 -0.07 -2.27 0.00 0.00 179.45 177.14 8icx h LEU 85 N 0.81 0.87 0.15 5.20 4.07 -1.83 -2.48 115.31 122.10 8icx h LEU 85 Ca 0.28 -0.53 -0.01 0.00 0.08 0.00 0.00 57.88 57.70 8icx h LEU 85 Cb 0.09 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.59 8icx h LEU 85 CO -0.08 1.24 -0.07 1.05 -1.08 0.00 0.00 178.44 179.50 8icx h GLU 86 N 0.54 -0.19 -0.63 1.13 4.11 0.73 -0.67 114.58 119.61 8icx h GLU 86 Ca 0.02 0.01 0.13 0.00 0.07 0.00 0.00 59.36 59.59 8icx h GLU 86 Cb 1.07 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.27 8icx h GLU 86 CO 0.11 -0.10 0.07 -0.22 0.07 0.00 0.00 179.01 178.94 8icx h LYS 87 N -0.23 0.18 -0.27 1.06 3.64 -0.25 -2.20 116.57 118.50 8icx h LYS 87 Ca -0.02 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 8icx h LYS 87 Cb 0.18 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 8icx h LYS 87 CO 0.03 0.12 0.03 0.82 -2.27 0.00 0.00 179.45 178.18 8icx h ILE 88 N 0.19 1.24 -0.79 2.00 2.04 -1.23 -0.48 117.51 120.47 8icx h ILE 88 Ca 0.33 -0.84 0.18 0.00 1.00 0.00 0.00 64.86 65.54 8icx h ILE 88 Cb 0.53 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 8icx h ILE 88 CO -0.48 0.27 0.54 -0.09 0.00 0.00 0.00 178.15 178.39 8icx h ARG 89 N 0.27 0.28 0.00 2.37 1.12 -0.72 -2.58 114.38 115.12 8icx h ARG 89 Ca 0.08 -0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.93 8icx h ARG 89 Cb 0.37 -0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 30.27 8icx h ARG 89 CO 0.01 0.19 -0.03 1.96 -3.11 0.00 0.00 179.97 178.98 8icx h GLN 90 N 0.29 0.00 -3.29 0.20 4.20 -1.09 -3.48 115.11 111.94 8icx h GLN 90 Ca 0.40 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.76 8icx h GLN 90 Cb 1.11 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.84 8icx h GLN 90 CO -0.11 0.55 1.08 -3.47 -0.67 0.00 0.00 178.83 176.22 8icx n ASP 91 N -4.68 0.23 -0.32 1.46 2.03 -0.22 -4.80 116.55 110.25 8icx n ASP 91 Ca -0.06 0.16 0.08 0.00 0.52 0.00 0.00 54.79 55.49 8icx n ASP 91 Cb 0.27 -0.59 0.24 0.00 -0.72 0.00 0.00 41.12 40.32 8icx n ASP 91 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 8icx h ASP 92 N 7.39 0.67 -0.35 1.67 1.82 -1.90 0.80 116.42 126.51 8icx h ASP 92 Ca -0.04 0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.65 8icx h ASP 92 Cb 0.85 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.80 8icx h ASP 92 CO 0.86 0.30 0.10 0.74 -1.61 0.00 0.00 179.24 179.63 8icx h THR 93 N 0.74 1.21 0.00 2.25 2.02 -1.96 -1.49 112.91 115.68 8icx h THR 93 Ca 0.48 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 8icx h THR 93 Cb 0.63 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 8icx h THR 93 CO -0.33 0.24 -0.08 -1.28 0.37 0.00 0.00 175.52 174.44 8icx h SER 94 N 0.42 0.00 -0.06 4.18 0.87 -1.46 -2.44 113.55 115.06 8icx h SER 94 Ca 0.11 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 8icx h SER 94 Cb 0.27 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 8icx h SER 94 CO -0.00 0.08 -0.03 0.28 -0.53 0.00 0.00 176.83 176.63 8icx h SER 95 N 0.00 0.13 -0.65 6.23 0.02 0.15 -2.96 113.55 116.47 8icx h SER 95 Ca -0.00 -0.42 0.08 0.00 -0.84 0.00 0.00 61.79 60.61 8icx h SER 95 Cb 0.61 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.05 8icx h SER 95 CO 0.01 0.52 0.31 0.28 -1.14 0.00 0.00 176.83 176.81 8icx h SER 96 N -0.26 0.40 -0.94 3.07 0.02 -1.22 -0.16 113.55 114.45 8icx h SER 96 Ca 0.01 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 8icx h SER 96 Cb 0.48 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 8icx h SER 96 CO 0.01 0.24 0.61 0.40 -1.14 0.00 0.00 176.83 176.95 8icx h ILE 97 N 0.55 1.25 -0.74 3.27 2.04 -1.42 -2.15 117.51 120.30 8icx h ILE 97 Ca 0.31 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.73 8icx h ILE 97 Cb 0.31 -0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.22 8icx h ILE 97 CO -0.25 0.24 0.49 0.78 0.00 0.00 0.00 178.15 179.41 8icx h ASN 98 N 1.28 0.82 0.05 1.72 -0.26 -0.87 -3.21 115.58 115.12 8icx h ASN 98 Ca 0.34 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 56.06 8icx h ASN 98 Cb -0.13 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 36.93 8icx h ASN 98 CO -0.07 0.59 -0.02 0.15 -1.06 0.00 0.00 177.43 177.01 8icx h PHE 99 N 0.97 -0.06 -1.00 1.19 3.04 -1.14 -3.36 116.94 116.57 8icx h PHE 99 Ca 0.28 -0.00 0.29 0.00 3.98 0.00 0.00 57.97 62.52 8icx h PHE 99 Cb -0.06 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.43 8icx h PHE 99 CO -0.00 0.01 0.77 -0.07 -2.02 0.00 0.00 178.31 177.00 8icx h LEU 100 N -1.02 0.00 -2.02 0.59 4.07 -1.51 0.81 115.31 116.24 8icx h LEU 100 Ca -0.01 0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.05 8icx h LEU 100 Cb 0.11 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 8icx h LEU 100 CO 0.01 0.00 0.25 0.74 -1.08 0.00 0.00 178.44 178.36 8icx h THR 101 N 0.00 0.79 -0.10 0.22 2.02 -1.70 -1.50 112.91 112.65 8icx h THR 101 Ca 0.47 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.65 8icx h THR 101 Cb 2.01 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 8icx h THR 101 CO -0.00 0.00 0.03 0.03 0.37 0.00 0.00 175.52 175.95 8icx h ARG 102 N 0.00 0.14 -6.57 6.66 3.08 0.47 -3.42 114.38 114.73 8icx h ARG 102 Ca 0.16 -0.01 -0.52 0.00 0.07 0.00 0.00 59.98 59.67 8icx h ARG 102 Cb 0.65 -0.03 0.05 0.00 0.08 0.00 0.00 29.97 30.72 8icx h ARG 102 CO -0.00 0.12 1.07 0.08 -1.07 0.00 0.00 179.97 180.17 8icx s VAL 103 N -5.10 2.33 -0.26 2.04 1.01 -0.56 -4.85 120.40 115.01 8icx s VAL 103 Ca -0.06 0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.69 8icx s VAL 103 Cb 0.17 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 8icx s VAL 103 CO 0.69 0.00 1.95 -0.55 0.00 0.00 0.00 175.10 177.20 8icx s SER 104 N 2.06 5.78 0.00 3.32 0.15 -1.26 -1.46 113.70 122.30 8icx s SER 104 Ca 0.78 1.61 0.00 0.00 0.70 0.00 0.00 55.95 59.05 8icx s SER 104 Cb -0.47 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.32 8icx s SER 104 CO 0.34 -1.74 0.00 0.61 1.20 0.00 0.00 173.24 173.65 8icx n GLY 105 N 5.46 3.80 3.69 9.45 0.00 -1.26 -3.76 105.19 122.57 8icx n GLY 105 Ca 0.25 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 8icx n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 8icx s ILE 106 N -0.04 4.84 0.41 -0.61 1.01 -0.53 -4.88 121.20 121.41 8icx s ILE 106 Ca 0.00 1.94 0.02 0.00 0.00 0.00 0.00 60.65 62.61 8icx s ILE 106 Cb 0.00 -4.27 0.02 0.00 0.01 0.00 0.00 42.46 38.22 8icx s ILE 106 CO 0.00 0.07 0.17 0.61 0.00 0.00 0.00 174.94 175.79 8icx n GLY 107 N 3.09 3.23 0.14 6.18 0.00 -1.26 -4.58 105.19 111.99 8icx n GLY 107 Ca 0.06 -2.30 -0.08 0.00 0.00 0.00 0.00 46.02 43.70 8icx n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 8icx h PRO 108 N 0.00 0.30 -0.38 1.61 0.11 -1.94 0.18 132.00 131.88 8icx h PRO 108 Ca -0.30 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.88 8icx h PRO 108 Cb 0.99 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 31.95 8icx h PRO 108 CO 0.48 0.20 -0.21 1.03 -0.21 0.00 0.00 178.00 179.29 8icx h SER 109 N 0.31 -0.69 0.88 -2.05 0.87 -1.95 0.27 113.55 111.19 8icx h SER 109 Ca 0.12 0.15 -0.14 0.00 -1.23 0.00 0.00 61.79 60.69 8icx h SER 109 Cb 0.04 0.37 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 8icx h SER 109 CO -0.08 -0.24 -0.69 0.00 -0.53 0.00 0.00 176.83 175.29 8icx h ALA 110 N 1.10 0.74 -0.90 6.23 0.00 -1.90 -3.08 119.26 121.45 8icx h ALA 110 Ca 0.19 -0.63 0.01 0.00 0.00 0.00 0.00 54.91 54.48 8icx h ALA 110 Cb 0.43 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 8icx h ALA 110 CO -0.47 0.86 0.59 0.00 0.00 0.00 0.00 179.25 180.23 8icx h ALA 111 N 1.31 1.14 0.85 0.00 0.00 0.19 -0.28 119.26 122.47 8icx h ALA 111 Ca -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 8icx h ALA 111 Cb 1.32 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.75 8icx h ALA 111 CO 0.09 0.55 -0.41 0.00 0.00 0.00 0.00 179.25 179.48 8icx h ARG 112 N 1.22 -1.10 -0.98 0.00 3.08 -0.60 -2.50 114.38 113.49 8icx h ARG 112 Ca 0.33 0.08 0.19 0.00 0.07 0.00 0.00 59.98 60.64 8icx h ARG 112 Cb -0.13 0.25 -0.18 0.00 0.08 0.00 0.00 29.97 29.99 8icx h ARG 112 CO -0.07 -0.74 -0.27 1.17 -1.07 0.00 0.00 179.97 178.99 8icx n LYS 113 N -5.51 -0.12 -0.21 0.04 4.81 -1.09 -0.20 118.16 115.88 8icx n LYS 113 Ca -0.14 1.52 -0.06 0.00 -0.87 0.00 0.00 58.31 58.76 8icx n LYS 113 Cb 0.45 -2.27 0.03 0.00 0.02 0.00 0.00 35.03 33.26 8icx n LYS 113 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 8icx h PHE 114 N 0.00 0.76 -0.38 5.64 0.04 -1.03 -0.88 116.94 121.09 8icx h PHE 114 Ca 0.45 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.23 8icx h PHE 114 Cb 0.69 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 8icx h PHE 114 CO -0.77 0.50 0.25 0.28 -0.60 0.00 0.00 178.31 177.96 8icx h VAL 115 N 0.80 1.10 0.08 -0.55 2.07 -0.26 2.37 116.25 121.86 8icx h VAL 115 Ca 0.21 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 8icx h VAL 115 Cb -0.05 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 8icx h VAL 115 CO -0.04 0.10 -0.05 0.44 0.02 0.00 0.00 177.57 178.03 8icx h ASP 116 N 0.51 -0.14 -0.00 0.57 3.32 -0.13 0.24 116.42 120.78 8icx h ASP 116 Ca 0.14 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 8icx h ASP 116 Cb -0.05 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 8icx h ASP 116 CO -0.03 -0.09 0.01 -0.33 -1.72 0.00 0.00 179.24 177.09 8icx h GLU 117 N -0.13 0.00 0.00 3.56 5.08 -0.81 -3.45 114.58 118.82 8icx h GLU 117 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 8icx h GLU 117 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 8icx h GLU 117 CO -0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 8icx n GLY 118 N -1.17 1.26 3.52 -3.84 0.00 0.84 -5.06 105.19 100.72 8icx n GLY 118 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 8icx n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 8icx s ILE 119 N -2.00 4.08 -0.24 -0.61 -1.09 0.77 -4.74 121.20 117.37 8icx s ILE 119 Ca 0.00 -0.47 -0.16 0.00 -2.23 0.00 0.00 60.65 57.79 8icx s ILE 119 Cb 0.00 -4.89 -0.11 0.00 -1.58 0.00 0.00 42.46 35.88 8icx s ILE 119 CO 0.00 -1.74 -0.28 0.29 -1.23 0.00 0.00 174.94 171.98 8icx n LYS 120 N 8.39 0.57 -1.79 2.79 5.02 -1.26 -3.80 118.16 128.07 8icx n LYS 120 Ca 0.15 0.30 -0.29 0.00 -2.02 0.00 0.00 58.31 56.45 8icx n LYS 120 Cb 0.49 -1.52 0.11 0.00 -0.02 0.00 0.00 35.03 34.10 8icx n LYS 120 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 8icx s THR 121 N -2.56 1.99 0.13 -0.18 -1.32 -1.26 -4.74 115.64 107.70 8icx s THR 121 Ca -0.35 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.04 8icx s THR 121 Cb 0.11 -2.93 -0.11 0.00 -1.51 0.00 0.00 72.50 68.06 8icx s THR 121 CO 0.48 0.00 1.38 0.25 -2.21 0.00 0.00 174.62 174.52 8icx h LEU 122 N -1.26 0.84 -1.06 9.08 6.46 -1.98 -1.97 115.31 125.43 8icx h LEU 122 Ca -0.47 -0.51 -0.05 0.00 -0.12 0.00 0.00 57.88 56.73 8icx h LEU 122 Cb 1.32 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.98 8icx h LEU 122 CO 0.61 1.29 0.10 -0.33 -0.62 0.00 0.00 178.44 179.49 8icx h GLU 123 N 0.53 0.77 -0.57 1.25 5.08 -1.99 -1.22 114.58 118.42 8icx h GLU 123 Ca -0.02 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 8icx h GLU 123 Cb 1.28 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 8icx h GLU 123 CO 0.14 0.72 0.27 -0.44 -1.00 0.00 0.00 179.01 178.69 8icx h ASP 124 N 0.74 0.75 -0.33 1.42 3.32 -1.84 0.29 116.42 120.77 8icx h ASP 124 Ca 0.16 -0.13 0.10 0.00 0.02 0.00 0.00 57.03 57.18 8icx h ASP 124 Cb 0.31 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 8icx h ASP 124 CO 0.00 0.67 0.33 -0.07 -1.72 0.00 0.00 179.24 178.45 8icx h LEU 125 N 0.77 0.00 0.10 1.55 3.38 -0.57 -2.75 115.31 117.80 8icx h LEU 125 Ca 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 8icx h LEU 125 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 8icx h LEU 125 CO -0.02 0.00 -0.05 0.03 0.09 0.00 0.00 178.44 178.49 8icx h ARG 126 N 0.00 -0.13 0.00 1.13 3.08 0.68 -3.20 114.38 115.94 8icx h ARG 126 Ca 0.16 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.22 8icx h ARG 126 Cb 0.82 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.90 8icx h ARG 126 CO -0.00 0.04 0.42 0.87 -1.07 0.00 0.00 179.97 180.23 8icx h LYS 127 N -1.02 0.00 -1.31 0.04 1.79 -1.09 0.26 116.57 115.24 8icx h LYS 127 Ca -0.01 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.89 8icx h LYS 127 Cb 0.23 0.00 -0.42 0.00 -1.58 0.00 0.00 32.23 30.46 8icx h LYS 127 CO 0.02 0.00 -0.78 0.09 -1.08 0.00 0.00 179.45 177.70 8icx n ASN 128 N -2.74 4.50 0.28 0.86 5.03 -1.06 -4.70 115.26 117.43 8icx n ASN 128 Ca -0.02 -3.64 0.17 0.00 0.87 0.00 0.00 54.58 51.96 8icx n ASN 128 Cb 0.45 -0.44 0.73 0.00 -1.02 0.00 0.00 39.78 39.51 8icx n ASN 128 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 8icx h GLU 129 N 2.52 0.00 -1.00 3.52 4.81 -0.47 -2.26 114.58 121.71 8icx h GLU 129 Ca 0.28 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.53 8icx h GLU 129 Cb 1.07 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.40 8icx h GLU 129 CO 0.80 0.04 0.66 0.38 -0.73 0.00 0.00 179.01 180.17 8icx h ASP 130 N 0.00 1.14 0.53 1.04 2.03 -1.84 -1.34 116.42 117.98 8icx h ASP 130 Ca -0.00 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 8icx h ASP 130 Cb 0.46 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 8icx h ASP 130 CO 0.01 0.82 0.00 0.29 -1.03 0.00 0.00 179.24 179.33 8icx n LYS 131 N -4.39 0.05 -4.00 4.15 5.02 -0.85 -4.73 118.16 113.40 8icx n LYS 131 Ca 0.12 0.31 -0.36 0.00 -2.02 0.00 0.00 58.31 56.36 8icx n LYS 131 Cb 0.02 -1.60 -0.07 0.00 -0.02 0.00 0.00 35.03 33.36 8icx n LYS 131 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 8icx s LEU 132 N -3.39 4.19 0.66 -0.35 1.43 -0.51 -5.11 118.68 115.61 8icx s LEU 132 Ca 0.06 0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 53.44 8icx s LEU 132 Cb 0.09 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 8icx s LEU 132 CO 0.28 0.40 1.05 0.54 0.23 0.00 0.00 176.35 178.85 8icx s ASN 133 N -0.99 5.79 0.32 2.29 4.22 -1.26 -4.75 114.94 120.55 8icx s ASN 133 Ca 0.15 1.46 0.06 0.00 -2.14 0.00 0.00 52.86 52.38 8icx s ASN 133 Cb -0.12 -2.41 0.86 0.00 1.28 0.00 0.00 41.25 40.86 8icx s ASN 133 CO 0.04 -1.16 1.59 -0.74 -2.04 0.00 0.00 177.10 174.78 8icx h HIS 134 N -0.52 0.20 0.52 1.54 -0.00 -1.98 -1.00 115.15 113.91 8icx h HIS 134 Ca -0.44 0.06 -0.02 0.00 -0.00 0.00 0.00 60.37 59.97 8icx h HIS 134 Cb 1.21 0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 28.67 8icx h HIS 134 CO 0.62 -0.40 -0.48 1.25 -0.00 0.00 0.00 177.93 178.93 8icx h HIS 135 N 0.05 -1.32 -0.01 5.26 6.17 -1.91 0.01 115.15 123.40 8icx h HIS 135 Ca 0.64 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.73 8icx h HIS 135 Cb 1.41 0.51 -0.00 0.00 2.52 0.00 0.00 27.41 31.85 8icx h HIS 135 CO -0.36 -0.65 0.04 1.96 0.71 0.00 0.00 177.93 179.63 8icx h GLN 136 N -0.98 0.00 0.22 5.26 4.20 -1.42 0.69 115.11 123.07 8icx h GLN 136 Ca -0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 8icx h GLN 136 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 8icx h GLN 136 CO -0.04 0.00 -0.10 0.00 -0.67 0.00 0.00 178.83 178.02 8icx h ARG 137 N 0.00 -0.28 -0.34 1.46 3.08 -0.35 0.50 114.38 118.45 8icx h ARG 137 Ca 0.00 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 8icx h ARG 137 Cb 0.08 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 8icx h ARG 137 CO -0.00 0.10 -0.06 0.82 -1.07 0.00 0.00 179.97 179.76 8icx h ILE 138 N -0.86 1.22 -0.37 2.04 2.04 0.04 0.21 117.51 121.84 8icx h ILE 138 Ca -0.03 -0.95 0.06 0.00 1.00 0.00 0.00 64.86 64.94 8icx h ILE 138 Cb 0.51 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 8icx h ILE 138 CO 0.05 0.32 0.02 1.23 0.00 0.00 0.00 178.15 179.77 8icx h GLY 139 N 0.91 0.38 1.12 5.37 0.00 0.53 -0.79 103.07 110.60 8icx h GLY 139 Ca 0.10 0.03 -0.15 0.00 0.00 0.00 0.00 47.33 47.31 8icx h GLY 139 CO 0.02 -0.07 -0.32 -2.00 0.00 0.00 0.00 176.54 174.17 8icx h LEU 140 N 0.13 1.02 -0.04 3.11 5.85 -0.56 -2.78 115.31 122.03 8icx h LEU 140 Ca 0.18 -0.44 0.02 0.00 0.84 0.00 0.00 57.88 58.48 8icx h LEU 140 Cb 0.24 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 8icx h LEU 140 CO -0.28 1.24 -0.11 0.50 -0.34 0.00 0.00 178.44 179.45 8icx h LYS 141 N 0.80 -0.17 -1.01 1.25 3.64 0.31 -2.97 116.57 118.43 8icx h LYS 141 Ca 0.08 0.01 -0.48 0.00 -1.27 0.00 0.00 60.65 58.99 8icx h LYS 141 Cb 0.92 0.04 -0.28 0.00 -0.41 0.00 0.00 32.23 32.50 8icx h LYS 141 CO 0.09 -0.11 0.61 0.66 -2.27 0.00 0.00 179.45 178.42 8icx n TYR 142 N -5.25 2.77 -0.19 1.91 4.01 -0.39 -4.72 117.16 115.30 8icx n TYR 142 Ca -0.05 -1.81 -0.01 0.00 -0.16 0.00 0.00 57.90 55.87 8icx n TYR 142 Cb 0.17 -0.92 0.06 0.00 -0.31 0.00 0.00 39.34 38.33 8icx n TYR 142 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 8icx h PHE 143 N 0.99 -0.29 0.00 -0.72 3.04 -1.32 0.55 116.94 119.19 8icx h PHE 143 Ca 0.57 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.57 8icx h PHE 143 Cb 2.51 0.22 0.00 0.00 2.56 0.00 0.00 35.95 41.24 8icx h PHE 143 CO 1.42 -0.25 0.00 0.41 -2.02 0.00 0.00 178.31 177.87 8icx n GLY 144 N -1.40 -1.98 0.53 2.40 0.00 -1.26 -2.69 105.19 100.78 8icx n GLY 144 Ca 0.07 0.00 0.42 0.00 0.00 0.00 0.00 46.02 46.51 8icx n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 8icx n ASP 145 N -1.71 0.12 0.10 1.61 9.92 -1.17 0.14 116.55 125.56 8icx n ASP 145 Ca 0.00 1.15 -0.04 0.00 -0.53 0.00 0.00 54.79 55.37 8icx n ASP 145 Cb 0.00 -0.57 0.03 0.00 -0.64 0.00 0.00 41.12 39.94 8icx n ASP 145 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 8icx h PHE 146 N 0.00 0.00 0.00 1.24 0.04 0.16 -3.22 116.94 115.16 8icx h PHE 146 Ca 0.84 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.61 8icx h PHE 146 Cb 2.98 0.00 0.00 0.00 2.20 0.00 0.00 35.95 41.13 8icx h PHE 146 CO -0.00 0.79 0.00 0.39 -0.60 0.00 0.00 178.31 178.89 8icx n GLU 147 N -3.55 0.25 -2.59 1.51 1.02 0.36 -4.89 120.64 112.77 8icx n GLU 147 Ca -0.00 0.25 -0.41 0.00 -0.02 0.00 0.00 57.16 56.97 8icx n GLU 147 Cb 0.77 -1.82 -0.04 0.00 -0.02 0.00 0.00 31.44 30.33 8icx n GLU 147 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 8icx s LYS 148 N -3.13 4.65 0.62 3.49 1.02 -1.16 -5.07 119.74 120.16 8icx s LYS 148 Ca 0.10 1.64 -0.18 0.00 0.02 0.00 0.00 55.97 57.55 8icx s LYS 148 Cb 0.12 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.12 8icx s LYS 148 CO 0.57 0.17 1.18 1.03 -0.92 0.00 0.00 175.35 177.37 8icx s ARG 149 N -0.47 2.86 -0.43 1.68 1.81 -1.26 -4.92 118.95 118.23 8icx s ARG 149 Ca 0.47 1.70 -0.13 0.00 -1.72 0.00 0.00 55.73 56.05 8icx s ARG 149 Cb -0.28 -1.93 0.05 0.00 -0.45 0.00 0.00 34.95 32.34 8icx s ARG 149 CO 0.34 -1.26 0.30 0.42 -0.68 0.00 0.00 175.30 174.42 8icx s ILE 150 N -1.83 4.88 0.20 1.52 1.01 0.93 -4.85 121.20 123.06 8icx s ILE 150 Ca 0.74 -1.00 -0.33 0.00 0.00 0.00 0.00 60.65 60.06 8icx s ILE 150 Cb -0.27 -3.84 -0.13 0.00 0.01 0.00 0.00 42.46 38.23 8icx s ILE 150 CO 0.36 -0.43 1.61 -0.81 0.00 0.00 0.00 174.94 175.67 8icx n PRO 151 N 5.09 2.41 -0.28 2.79 -0.04 -1.26 0.22 135.00 143.92 8icx n PRO 151 Ca -0.11 0.87 0.18 0.00 -0.04 0.00 0.00 63.50 64.39 8icx n PRO 151 Cb 0.45 -2.65 0.46 0.00 -0.04 0.00 0.00 33.50 31.72 8icx n PRO 151 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 8icx h ARG 152 N 5.88 0.49 -1.01 0.54 2.43 -1.68 0.66 114.38 121.68 8icx h ARG 152 Ca -0.45 -0.03 0.25 0.00 -0.81 0.00 0.00 59.98 58.94 8icx h ARG 152 Cb 1.24 -0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 30.58 8icx h ARG 152 CO 0.89 0.32 0.65 0.93 -1.51 0.00 0.00 179.97 181.25 8icx h GLU 153 N 0.50 0.44 0.06 0.20 4.39 -1.87 0.25 114.58 118.56 8icx h GLU 153 Ca 0.51 -0.03 -0.29 0.00 0.34 0.00 0.00 59.36 59.90 8icx h GLU 153 Cb 1.14 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.66 8icx h GLU 153 CO -0.24 0.29 -1.51 0.93 -1.16 0.00 0.00 179.01 177.33 8icx h GLU 154 N 0.46 0.14 -0.88 2.33 5.08 -0.05 -3.32 114.58 118.33 8icx h GLU 154 Ca 0.58 -0.23 0.06 0.00 -1.00 0.00 0.00 59.36 58.77 8icx h GLU 154 Cb 1.36 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.64 8icx h GLU 154 CO -0.30 0.93 0.58 0.52 -1.00 0.00 0.00 179.01 179.74 8icx h MET 155 N 0.04 0.99 -0.56 2.33 2.86 0.04 0.18 114.93 120.81 8icx h MET 155 Ca -0.22 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.32 8icx h MET 155 Cb 1.97 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 33.38 8icx h MET 155 CO 0.13 0.65 0.20 -0.07 1.06 0.00 0.00 176.91 178.88 8icx h LEU 156 N 1.02 0.79 -0.59 1.22 3.38 -0.71 0.36 115.31 120.78 8icx h LEU 156 Ca 0.38 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 8icx h LEU 156 Cb 0.17 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 8icx h LEU 156 CO -0.14 0.76 -0.53 0.06 0.09 0.00 0.00 178.44 178.69 8icx h GLN 157 N 0.77 0.48 0.33 1.13 3.07 -1.37 -2.00 115.11 117.52 8icx h GLN 157 Ca 0.18 -0.29 -0.02 0.00 0.09 0.00 0.00 58.65 58.61 8icx h GLN 157 Cb 0.24 0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.83 8icx h GLN 157 CO -0.01 0.89 -0.16 0.52 0.09 0.00 0.00 178.83 180.16 8icx h MET 158 N 0.37 -0.43 -0.89 0.06 2.86 -0.89 -2.05 114.93 113.95 8icx h MET 158 Ca 0.01 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.73 8icx h MET 158 Cb 1.05 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.75 8icx h MET 158 CO 0.10 -0.17 0.58 0.37 1.06 0.00 0.00 176.91 178.85 8icx h GLN 159 N -0.65 1.03 0.59 1.72 4.15 -0.98 0.10 115.11 121.07 8icx h GLN 159 Ca -0.05 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 8icx h GLN 159 Cb 0.46 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 8icx h GLN 159 CO 0.08 0.68 -0.45 0.22 -1.93 0.00 0.00 178.83 177.42 8icx h ASP 160 N 1.06 -1.19 -0.64 -0.69 3.58 -1.21 -1.21 116.42 116.12 8icx h ASP 160 Ca 0.37 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.91 8icx h ASP 160 Cb 0.12 0.37 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 8icx h ASP 160 CO -0.13 -0.65 0.40 0.40 -2.88 0.00 0.00 179.24 176.38 8icx h ILE 161 N -1.01 1.18 -0.71 2.25 2.04 -0.67 -2.64 117.51 117.95 8icx h ILE 161 Ca -0.07 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.45 8icx h ILE 161 Cb 0.85 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 8icx h ILE 161 CO 0.01 0.18 0.45 0.58 0.00 0.00 0.00 178.15 179.37 8icx h VAL 162 N 0.87 1.11 -0.92 1.67 2.07 -0.91 -1.58 116.25 118.56 8icx h VAL 162 Ca 0.23 -0.30 0.10 0.00 0.82 0.00 0.00 66.70 67.55 8icx h VAL 162 Cb -0.06 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 29.80 8icx h VAL 162 CO -0.05 0.16 0.59 -0.07 0.02 0.00 0.00 177.57 178.23 8icx h LEU 163 N 0.88 0.84 0.01 2.57 3.38 -0.94 -1.97 115.31 120.09 8icx h LEU 163 Ca 0.28 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 8icx h LEU 163 Cb -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.59 8icx h LEU 163 CO -0.10 0.49 -0.00 0.78 0.09 0.00 0.00 178.44 179.70 8icx h ASN 164 N 0.93 -0.01 -0.25 -0.43 2.35 -0.96 -2.83 115.58 114.37 8icx h ASN 164 Ca 0.43 -0.43 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 8icx h ASN 164 Cb 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 8icx h ASN 164 CO -0.19 0.43 0.03 -0.33 -1.65 0.00 0.00 177.43 175.72 8icx h GLU 165 N -0.45 0.43 -0.98 0.81 4.39 -1.24 0.12 114.58 117.65 8icx h GLU 165 Ca -0.00 -0.12 0.23 0.00 0.34 0.00 0.00 59.36 59.81 8icx h GLU 165 Cb 0.44 -0.05 -0.18 0.00 -0.10 0.00 0.00 28.75 28.86 8icx h GLU 165 CO 0.00 0.57 -0.10 0.28 -1.16 0.00 0.00 179.01 178.60 8icx n VAL 166 N -4.67 -0.41 -0.12 3.13 0.31 -0.76 0.14 118.33 115.97 8icx n VAL 166 Ca -0.03 2.19 -0.13 0.00 -0.01 0.00 0.00 64.34 66.36 8icx n VAL 166 Cb 0.21 -3.12 -0.03 0.00 -0.91 0.00 0.00 33.84 30.00 8icx n VAL 166 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 8icx h LYS 167 N 0.00 0.80 -0.83 5.55 3.64 -1.20 -2.82 116.57 121.71 8icx h LYS 167 Ca 0.54 -0.39 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 8icx h LYS 167 Cb 0.99 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.75 8icx h LYS 167 CO -0.96 1.02 0.53 1.57 -2.27 0.00 0.00 179.45 179.33 8icx h LYS 168 N 0.59 1.00 0.12 1.90 2.10 0.40 -2.22 116.57 120.45 8icx h LYS 168 Ca 0.07 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.65 8icx h LYS 168 Cb 0.82 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 8icx h LYS 168 CO 0.07 0.66 -0.06 -0.24 -2.00 0.00 0.00 179.45 177.88 8icx h VAL 169 N 1.03 0.96 -1.98 0.07 3.04 -0.71 -3.42 116.25 115.23 8icx h VAL 169 Ca 0.33 -0.29 0.07 0.00 -1.01 0.00 0.00 66.70 65.79 8icx h VAL 169 Cb 0.02 1.14 -0.20 0.00 -2.01 0.00 0.00 31.29 30.24 8icx h VAL 169 CO -0.12 0.07 -0.08 -0.62 -1.01 0.00 0.00 177.57 175.81 8icx s ASP 170 N -5.18 -1.09 0.62 3.17 -1.08 -1.07 -4.97 116.67 107.08 8icx s ASP 170 Ca -0.14 1.55 0.40 0.00 -0.52 0.00 0.00 52.55 53.83 8icx s ASP 170 Cb 0.04 2.06 1.98 0.00 -1.46 0.00 0.00 42.92 45.55 8icx s ASP 170 CO 0.64 -0.22 2.21 -1.28 0.52 0.00 0.00 175.17 177.05 8icx h SER 171 N 7.73 0.00 0.43 -0.34 0.87 -1.63 -2.82 113.55 117.79 8icx h SER 171 Ca -0.21 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.31 8icx h SER 171 Cb 1.13 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 8icx h SER 171 CO 0.12 0.01 -0.18 -0.08 -0.53 0.00 0.00 176.83 176.16 8icx h GLU 172 N 0.00 0.00 -7.10 2.24 4.57 -1.90 -3.46 114.58 108.94 8icx h GLU 172 Ca -0.00 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.63 8icx h GLU 172 Cb 0.21 0.00 0.18 0.00 -0.16 0.00 0.00 28.75 28.98 8icx h GLU 172 CO 0.00 0.18 0.29 0.66 -1.18 0.00 0.00 179.01 178.96 8icx n TYR 173 N -3.74 1.19 -4.75 0.92 4.01 -1.06 -4.64 117.16 109.08 8icx n TYR 173 Ca -0.02 0.40 -0.25 0.00 -0.16 0.00 0.00 57.90 57.88 8icx n TYR 173 Cb 0.29 -2.13 -0.16 0.00 -0.31 0.00 0.00 39.34 37.04 8icx n TYR 173 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 8icx s ILE 174 N -1.88 1.29 0.01 -0.72 1.01 -1.07 -4.94 121.20 114.91 8icx s ILE 174 Ca 0.75 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.75 8icx s ILE 174 Cb -0.33 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 8icx s ILE 174 CO 0.49 0.37 -0.03 0.00 0.00 0.00 0.00 174.94 175.76 8icx s ALA 175 N -0.09 0.22 -0.06 9.38 0.00 -1.26 -3.15 121.76 126.81 8icx s ALA 175 Ca -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 8icx s ALA 175 Cb -0.09 0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.11 8icx s ALA 175 CO 0.01 -0.05 0.13 0.99 0.00 0.00 0.00 175.76 176.84 8icx s THR 176 N -0.82 -0.08 -0.29 0.00 2.01 -0.97 -4.97 115.64 110.53 8icx s THR 176 Ca -0.07 0.21 -0.19 0.00 0.31 0.00 0.00 61.69 61.95 8icx s THR 176 Cb -0.06 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.21 8icx s THR 176 CO -0.00 0.09 0.56 -0.69 -0.69 0.00 0.00 174.62 173.89 8icx s VAL 177 N 1.33 5.01 0.00 3.82 1.01 -1.26 -0.28 120.40 130.02 8icx s VAL 177 Ca -0.07 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.74 8icx s VAL 177 Cb -0.12 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.35 8icx s VAL 177 CO -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.01 8icx n GLY 179 N 5.00 -1.86 0.31 0.00 0.00 -1.10 -4.12 105.19 103.43 8icx n GLY 179 Ca 0.00 -1.57 0.02 0.00 0.00 0.00 0.00 46.02 44.47 8icx n GLY 179 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 8icx h SER 180 N 0.00 0.56 -0.91 1.61 4.64 -1.86 -1.96 113.55 115.63 8icx h SER 180 Ca 0.00 -0.04 0.09 0.00 -0.47 0.00 0.00 61.79 61.37 8icx h SER 180 Cb 0.00 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 61.88 8icx h SER 180 CO 0.00 0.46 0.59 0.15 -0.87 0.00 0.00 176.83 177.15 8icx h PHE 181 N 0.65 1.00 -0.42 4.77 3.57 -1.83 0.18 116.94 124.86 8icx h PHE 181 Ca 0.17 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 8icx h PHE 181 Cb 0.02 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 8icx h PHE 181 CO 0.00 0.48 -0.05 -0.09 -2.23 0.00 0.00 178.31 176.42 8icx h ARG 182 N 0.94 0.77 -0.93 1.11 9.65 -1.53 -3.10 114.38 121.30 8icx h ARG 182 Ca 0.41 -0.27 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 8icx h ARG 182 Cb 0.35 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 8icx h ARG 182 CO -0.17 0.87 0.00 0.54 2.80 0.00 0.00 179.97 184.01 8icx n ARG 183 N -4.37 0.82 0.00 0.20 1.74 0.56 -4.43 116.66 111.18 8icx n ARG 183 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 8icx n ARG 183 Cb 0.33 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 8icx n ARG 183 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 8icx n GLY 184 N 0.24 2.25 0.00 -0.13 0.00 -0.84 -4.42 105.19 102.30 8icx n GLY 184 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 8icx n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8icx n ALA 185 N 0.00 -0.29 0.29 4.61 0.00 -0.90 -4.79 120.51 119.42 8icx n ALA 185 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 8icx n ALA 185 Cb 0.00 0.00 1.01 0.00 0.00 0.00 0.00 19.45 20.46 8icx n ALA 185 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 8icx h GLU 186 N 0.43 0.00 -3.39 0.00 4.39 -1.94 -3.43 114.58 110.64 8icx h GLU 186 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 8icx h GLU 186 Cb 0.00 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.54 8icx h GLU 186 CO 0.00 0.00 -0.03 -1.54 -1.16 0.00 0.00 179.01 176.28 8icx s SER 187 N -4.83 -0.23 0.08 1.42 1.04 -1.26 -1.97 113.70 107.95 8icx s SER 187 Ca -0.04 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 55.93 8icx s SER 187 Cb 0.11 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 8icx s SER 187 CO 0.35 -0.98 -0.06 -0.44 0.98 0.00 0.00 173.24 173.09 8icx s SER 188 N -2.86 0.91 -0.11 7.02 0.01 0.13 -4.74 113.70 114.06 8icx s SER 188 Ca 0.08 -0.91 -0.26 0.00 1.31 0.00 0.00 55.95 56.17 8icx s SER 188 Cb 0.00 0.11 -0.23 0.00 0.21 0.00 0.00 66.02 66.11 8icx s SER 188 CO -0.05 -0.45 0.82 1.23 0.41 0.00 0.00 173.24 175.20 8icx h GLY 189 N 3.32 -0.01 -2.93 3.44 0.00 -1.91 2.79 103.07 107.77 8icx h GLY 189 Ca -0.35 0.01 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 8icx h GLY 189 CO 0.60 -0.01 -0.22 0.51 0.00 0.00 0.00 176.54 177.43 8icx s ASP 190 N -6.04 -0.05 -0.18 0.19 -4.77 -1.26 -4.56 116.67 100.00 8icx s ASP 190 Ca -0.17 -0.61 -0.17 0.00 -3.30 0.00 0.00 52.55 48.30 8icx s ASP 190 Cb -0.02 0.44 -0.04 0.00 -1.09 0.00 0.00 42.92 42.21 8icx s ASP 190 CO 0.63 -0.86 0.43 -0.32 0.70 0.00 0.00 175.17 175.75 8icx s MET 191 N -3.88 4.21 -0.46 2.11 -2.45 -0.60 -5.01 119.30 113.23 8icx s MET 191 Ca 0.09 0.28 -0.15 0.00 -1.25 0.00 0.00 55.69 54.66 8icx s MET 191 Cb 0.03 -3.52 0.07 0.00 1.25 0.00 0.00 34.83 32.65 8icx s MET 191 CO -0.07 -0.01 0.37 -0.51 1.05 0.00 0.00 175.02 175.85 8icx s ASP 192 N 0.96 6.11 -0.33 1.11 1.11 -1.26 -1.89 116.67 122.48 8icx s ASP 192 Ca 0.21 -1.27 -0.13 0.00 0.18 0.00 0.00 52.55 51.54 8icx s ASP 192 Cb -0.15 -2.17 -0.02 0.00 1.07 0.00 0.00 42.92 41.65 8icx s ASP 192 CO 0.08 -0.61 0.25 -0.69 1.18 0.00 0.00 175.17 175.39 8icx s VAL 193 N 1.63 5.27 -0.04 -1.27 1.01 -0.06 -0.69 120.40 126.26 8icx s VAL 193 Ca 0.04 -0.08 -0.20 0.00 0.00 0.00 0.00 61.98 61.73 8icx s VAL 193 Cb -0.23 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 8icx s VAL 193 CO 0.07 0.03 0.59 -0.76 0.00 0.00 0.00 175.10 175.03 8icx s LEU 194 N 1.78 4.37 0.16 3.92 1.02 0.61 -2.80 118.68 127.74 8icx s LEU 194 Ca 0.07 1.09 0.08 0.00 0.02 0.00 0.00 54.13 55.39 8icx s LEU 194 Cb -0.17 -2.90 -0.04 0.00 0.02 0.00 0.00 46.19 43.10 8icx s LEU 194 CO 0.11 0.05 -0.17 -0.22 0.02 0.00 0.00 176.35 176.14 8icx s LEU 195 N 0.13 2.45 0.17 1.79 2.96 0.77 -2.28 118.68 124.67 8icx s LEU 195 Ca 0.31 -0.87 -0.24 0.00 -0.22 0.00 0.00 54.13 53.10 8icx s LEU 195 Cb -0.17 -0.74 0.06 0.00 0.50 0.00 0.00 46.19 45.84 8icx s LEU 195 CO 0.16 -0.08 0.83 0.28 -1.32 0.00 0.00 176.35 176.21 8icx s THR 196 N -2.22 0.00 0.15 3.68 -1.32 -1.19 0.91 115.64 115.65 8icx s THR 196 Ca 0.15 -0.57 -0.11 0.00 -1.21 0.00 0.00 61.69 59.95 8icx s THR 196 Cb -0.05 -1.70 0.01 0.00 -1.51 0.00 0.00 72.50 69.25 8icx s THR 196 CO 0.06 0.00 0.33 -2.28 -2.21 0.00 0.00 174.62 170.52 8icx s HIS 197 N -3.52 0.17 0.17 9.09 2.46 -1.24 -2.61 115.29 119.81 8icx s HIS 197 Ca 0.09 -0.54 0.04 0.00 0.47 0.00 0.00 55.06 55.13 8icx s HIS 197 Cb -0.03 0.07 -0.00 0.00 -0.13 0.00 0.00 32.58 32.50 8icx s HIS 197 CO -0.00 -0.72 1.38 -1.35 -2.47 0.00 0.00 174.74 171.58 8icx h PRO 198 N 2.49 0.14 0.00 2.88 0.11 -1.93 -2.87 132.00 132.82 8icx h PRO 198 Ca -0.32 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.63 8icx h PRO 198 Cb 1.23 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.39 8icx h PRO 198 CO 0.47 0.92 0.00 -1.13 -0.21 0.00 0.00 178.00 178.06 8icx n SER 199 N -3.62 0.00 -3.58 -2.05 3.41 -1.26 -4.51 113.62 102.01 8icx n SER 199 Ca -0.03 -1.60 -0.29 0.00 -0.26 0.00 0.00 58.87 56.69 8icx n SER 199 Cb 0.81 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.61 8icx n SER 199 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 8icx s PHE 200 N -2.00 0.60 0.25 7.33 5.36 -1.09 -4.95 117.98 123.48 8icx s PHE 200 Ca 0.12 -1.03 0.02 0.00 -0.96 0.00 0.00 56.93 55.09 8icx s PHE 200 Cb 0.06 -1.05 -0.05 0.00 -0.34 0.00 0.00 43.02 41.63 8icx s PHE 200 CO 0.10 -0.83 0.04 -0.08 -1.46 0.00 0.00 175.22 173.00 8icx s THR 201 N 2.00 0.82 0.00 0.12 -1.32 -1.26 0.37 115.64 116.38 8icx s THR 201 Ca 0.09 -2.01 0.00 0.00 -1.21 0.00 0.00 61.69 58.56 8icx s THR 201 Cb -0.16 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.34 8icx s THR 201 CO -0.33 -0.18 0.00 -1.20 -2.21 0.00 0.00 174.62 170.70 8icx n SER 202 N -0.45 0.00 0.00 8.08 7.64 -1.26 -3.00 113.62 124.63 8icx n SER 202 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 8icx n SER 202 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 8icx n SER 202 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 8icx n GLU 203 N -3.68 0.00 0.00 1.43 4.71 -1.26 -4.87 120.64 116.97 8icx n GLU 203 Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 8icx n GLU 203 Cb 0.00 -0.60 0.00 0.00 -1.01 0.00 0.00 31.44 29.83 8icx n GLU 203 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 8icx n SER 204 N -1.05 0.00 -3.15 1.62 3.41 -1.16 -4.45 113.62 108.83 8icx n SER 204 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 8icx n SER 204 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 8icx n SER 204 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 8icx n THR 205 N 0.00 0.00 0.00 6.66 5.66 -1.26 -4.66 114.28 120.68 8icx n THR 205 Ca 0.00 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 8icx n THR 205 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 8icx n THR 205 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 8icx n LYS 206 N 3.79 0.00 0.00 1.09 4.76 -1.26 -4.96 118.16 121.58 8icx n LYS 206 Ca 0.37 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 8icx n LYS 206 Cb 0.16 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.35 8icx n LYS 206 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 8icx n GLN 207 N -0.03 0.00 -0.32 1.97 7.27 -1.26 -5.02 117.38 119.99 8icx n GLN 207 Ca 0.00 0.00 0.19 0.00 0.07 0.00 0.00 57.00 57.26 8icx n GLN 207 Cb 0.00 0.00 0.38 0.00 2.41 0.00 0.00 30.24 33.03 8icx n GLN 207 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 8icx h PRO 208 N 0.00 0.17 -0.93 3.69 0.13 -1.93 1.51 132.00 134.63 8icx h PRO 208 Ca 0.00 -0.01 0.23 0.00 -0.87 0.00 0.00 66.00 65.35 8icx h PRO 208 Cb 0.00 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 31.03 8icx h PRO 208 CO 0.00 0.11 0.63 0.87 -0.23 0.00 0.00 178.00 179.38 8icx h LYS 209 N 0.17 0.27 -0.86 0.86 1.79 -1.97 -0.71 116.57 116.12 8icx h LYS 209 Ca 0.65 -0.02 0.20 0.00 -2.18 0.00 0.00 60.65 59.31 8icx h LYS 209 Cb 1.45 -0.06 -0.16 0.00 -1.58 0.00 0.00 32.23 31.88 8icx h LYS 209 CO -0.71 0.18 -0.05 -0.07 -1.08 0.00 0.00 179.45 177.72 8icx h LEU 210 N 0.28 -0.52 0.16 2.94 3.38 0.18 0.75 115.31 122.47 8icx h LEU 210 Ca 0.48 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.68 8icx h LEU 210 Cb 1.41 0.44 0.00 0.00 0.09 0.00 0.00 40.66 42.61 8icx h LEU 210 CO -0.14 -0.26 -0.08 0.25 0.09 0.00 0.00 178.44 178.30 8icx h LEU 211 N 0.05 -0.18 -0.75 1.67 5.85 -1.28 -3.36 115.31 117.31 8icx h LEU 211 Ca 0.47 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.91 8icx h LEU 211 Cb 0.84 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.81 8icx h LEU 211 CO -0.81 0.37 -0.56 0.45 -0.34 0.00 0.00 178.44 177.56 8icx h HIS 212 N -0.86 -1.74 -0.69 1.25 3.86 -0.98 -1.66 115.15 114.34 8icx h HIS 212 Ca -0.02 0.11 0.14 0.00 -1.16 0.00 0.00 60.37 59.44 8icx h HIS 212 Cb 0.53 0.86 -0.13 0.00 1.06 0.00 0.00 27.41 29.73 8icx h HIS 212 CO 0.09 -0.42 -0.12 1.96 0.86 0.00 0.00 177.93 180.29 8icx h GLN 213 N -0.17 0.03 -0.46 2.45 4.20 0.30 0.82 115.11 122.28 8icx h GLN 213 Ca 0.14 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 8icx h GLN 213 Cb 0.50 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 8icx h GLN 213 CO -0.79 0.02 0.14 -0.39 -0.67 0.00 0.00 178.83 177.13 8icx h VAL 214 N 0.03 1.23 -0.47 -0.54 -1.51 -1.48 -0.53 116.25 112.96 8icx h VAL 214 Ca 0.34 -0.76 0.05 0.00 -1.23 0.00 0.00 66.70 65.11 8icx h VAL 214 Cb 0.55 0.86 -0.05 0.00 -2.13 0.00 0.00 31.29 30.51 8icx h VAL 214 CO -0.68 0.27 0.20 0.58 -1.23 0.00 0.00 177.57 176.71 8icx h VAL 215 N 0.60 0.90 -0.99 7.19 2.07 -0.20 0.82 116.25 126.64 8icx h VAL 215 Ca 0.15 -0.14 0.12 0.00 0.82 0.00 0.00 66.70 67.65 8icx h VAL 215 Cb 0.28 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.42 8icx h VAL 215 CO -0.00 0.07 0.62 -0.08 0.02 0.00 0.00 177.57 178.20 8icx h GLU 216 N 0.40 0.94 0.61 1.57 4.81 -0.63 -1.06 114.58 121.22 8icx h GLU 216 Ca 0.22 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 8icx h GLU 216 Cb 0.18 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.35 8icx h GLU 216 CO -0.19 0.62 -0.29 0.37 -0.73 0.00 0.00 179.01 178.79 8icx h GLN 217 N 0.97 -0.79 -0.82 1.92 5.75 0.69 0.44 115.11 123.28 8icx h GLN 217 Ca 0.49 0.05 0.24 0.00 -0.15 0.00 0.00 58.65 59.28 8icx h GLN 217 Cb 0.48 0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.18 8icx h GLN 217 CO -0.27 -0.48 0.69 -0.07 -2.65 0.00 0.00 178.83 176.05 8icx h LEU 218 N -1.11 0.00 0.08 -2.39 4.07 -0.15 0.72 115.31 116.54 8icx h LEU 218 Ca -0.08 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.60 8icx h LEU 218 Cb 0.67 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 8icx h LEU 218 CO 0.14 0.00 -1.40 1.56 -1.08 0.00 0.00 178.44 177.66 8icx h GLN 219 N 0.00 0.18 -0.58 1.13 4.20 -1.16 0.46 115.11 119.34 8icx h GLN 219 Ca 0.39 -0.30 0.09 0.00 0.06 0.00 0.00 58.65 58.89 8icx h GLN 219 Cb 1.76 0.11 -0.07 0.00 0.30 0.00 0.00 27.48 29.58 8icx h GLN 219 CO -0.00 1.04 0.17 -0.22 -0.67 0.00 0.00 178.83 179.15 8icx h LYS 220 N 0.05 0.32 -0.00 1.46 3.64 0.27 -0.56 116.57 121.75 8icx h LYS 220 Ca -0.18 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 8icx h LYS 220 Cb 1.96 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.71 8icx h LYS 220 CO 0.15 0.21 -0.18 1.33 -2.27 0.00 0.00 179.45 178.69 8icx n VAL 221 N -5.05 0.00 -1.27 2.00 0.24 -0.84 -4.94 118.33 108.48 8icx n VAL 221 Ca 0.08 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 8icx n VAL 221 Cb 0.28 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 8icx n VAL 221 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 8icx n HIS 222 N -1.31 0.00 -0.05 6.34 8.25 -0.22 -4.97 115.22 123.26 8icx n HIS 222 Ca 0.09 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.34 8icx n HIS 222 Cb 0.32 -0.60 -0.13 0.00 1.12 0.00 0.00 29.99 30.70 8icx n HIS 222 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 8icx n PHE 223 N -2.46 0.94 -3.22 4.41 7.35 0.15 -4.68 117.46 119.96 8icx n PHE 223 Ca 0.00 0.25 -0.39 0.00 -0.76 0.00 0.00 57.45 56.55 8icx n PHE 223 Cb 0.30 -1.12 -0.06 0.00 0.35 0.00 0.00 39.48 38.95 8icx n PHE 223 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 8icx s ILE 224 N -2.50 5.12 -0.19 -2.13 1.01 -0.78 -1.98 121.20 119.74 8icx s ILE 224 Ca -0.27 1.09 0.10 0.00 0.00 0.00 0.00 60.65 61.58 8icx s ILE 224 Cb 0.07 -3.89 -0.19 0.00 0.01 0.00 0.00 42.46 38.46 8icx s ILE 224 CO 0.68 0.25 -0.04 0.35 0.00 0.00 0.00 174.94 176.19 8icx n THR 225 N 4.00 1.25 -3.86 2.92 -2.24 0.19 -4.58 114.28 111.95 8icx n THR 225 Ca -0.05 -0.66 -0.10 0.00 -2.27 0.00 0.00 64.05 60.98 8icx n THR 225 Cb 0.51 -0.82 -0.08 0.00 -2.10 0.00 0.00 70.33 67.84 8icx n THR 225 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 8icx s ASP 226 N -5.56 0.08 -0.19 3.42 1.11 -1.22 -5.02 116.67 109.29 8icx s ASP 226 Ca -0.17 -0.45 -0.07 0.00 0.18 0.00 0.00 52.55 52.05 8icx s ASP 226 Cb 0.06 0.28 -0.04 0.00 1.07 0.00 0.00 42.92 44.30 8icx s ASP 226 CO 0.65 -0.58 0.05 -0.89 1.18 0.00 0.00 175.17 175.58 8icx s THR 227 N -2.79 4.57 -0.22 -1.27 2.01 -1.26 -1.78 115.64 114.91 8icx s THR 227 Ca -0.03 -0.11 -0.11 0.00 0.31 0.00 0.00 61.69 61.74 8icx s THR 227 Cb -0.00 -3.06 -0.18 0.00 0.01 0.00 0.00 72.50 69.26 8icx s THR 227 CO -0.05 0.45 0.01 -0.11 -0.69 0.00 0.00 174.62 174.22 8icx n LEU 228 N 3.71 2.29 -3.61 4.42 7.94 0.30 -4.92 117.00 127.14 8icx n LEU 228 Ca -0.17 0.24 -0.02 0.00 -1.11 0.00 0.00 56.01 54.95 8icx n LEU 228 Cb 0.52 -0.95 -0.05 0.00 0.53 0.00 0.00 43.42 43.47 8icx n LEU 228 CO 0.34 0.63 0.38 -0.94 -1.11 0.00 0.00 177.39 176.69 8icx s SER 229 N -7.01 -0.94 -0.13 1.96 1.04 -0.45 -4.76 113.70 103.41 8icx s SER 229 Ca -0.31 1.36 0.00 0.00 0.48 0.00 0.00 55.95 57.48 8icx s SER 229 Cb 0.09 1.84 0.02 0.00 0.10 0.00 0.00 66.02 68.08 8icx s SER 229 CO 0.61 -0.20 -0.13 -0.75 0.98 0.00 0.00 173.24 173.75 8icx s LYS 230 N 2.33 2.10 0.00 4.02 2.20 -1.26 0.58 119.74 129.71 8icx s LYS 230 Ca -0.07 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.05 8icx s LYS 230 Cb -0.08 -1.94 0.00 0.00 -1.51 0.00 0.00 37.83 34.30 8icx s LYS 230 CO -0.19 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 8icx n GLY 231 N 4.70 4.22 0.00 5.54 0.00 0.94 -4.97 105.19 115.62 8icx n GLY 231 Ca -0.16 -2.10 0.10 0.00 0.00 0.00 0.00 46.02 43.86 8icx n GLY 231 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 8icx n GLU 232 N 0.00 0.72 0.00 1.61 0.28 -1.26 -3.83 120.64 118.17 8icx n GLU 232 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 8icx n GLU 232 Cb 0.00 -1.45 0.00 0.00 1.43 0.00 0.00 31.44 31.42 8icx n GLU 232 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 8icx n THR 233 N -0.95 0.00 -3.61 3.84 -2.24 -1.26 -4.74 114.28 105.32 8icx n THR 233 Ca 0.16 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.72 8icx n THR 233 Cb 0.07 0.48 -0.16 0.00 -2.10 0.00 0.00 70.33 68.62 8icx n THR 233 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 8icx s LYS 234 N 0.00 0.05 -0.03 -0.78 2.20 -1.25 -0.58 119.74 119.35 8icx s LYS 234 Ca 0.00 0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 8icx s LYS 234 Cb 0.00 -1.08 -0.03 0.00 -1.51 0.00 0.00 37.83 35.20 8icx s LYS 234 CO 0.00 -0.51 -0.00 0.12 -0.36 0.00 0.00 175.35 174.59 8icx s PHE 235 N 2.21 3.09 -0.18 4.03 2.19 -0.56 -0.04 117.98 128.72 8icx s PHE 235 Ca 0.04 0.11 -0.04 0.00 0.33 0.00 0.00 56.93 57.36 8icx s PHE 235 Cb -0.14 -1.71 0.06 0.00 -1.31 0.00 0.00 43.02 39.92 8icx s PHE 235 CO -0.07 0.45 0.08 -1.64 1.83 0.00 0.00 175.22 175.87 8icx s MET 236 N -1.30 0.21 0.00 10.12 -1.94 0.20 -2.53 119.30 124.06 8icx s MET 236 Ca 0.17 -0.18 0.00 0.00 -1.71 0.00 0.00 55.69 53.97 8icx s MET 236 Cb -0.11 -1.88 0.00 0.00 2.01 0.00 0.00 34.83 34.84 8icx s MET 236 CO 0.07 -0.67 0.00 0.41 -0.01 0.00 0.00 175.02 174.82 8icx n GLY 237 N 5.22 5.41 3.00 -0.03 0.00 0.31 -0.54 105.19 118.56 8icx n GLY 237 Ca -0.07 -1.25 -0.18 0.00 0.00 0.00 0.00 46.02 44.51 8icx n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 8icx s VAL 238 N 1.64 0.64 0.29 1.61 1.01 -0.73 -1.89 120.40 122.97 8icx s VAL 238 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.67 8icx s VAL 238 Cb 0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 8icx s VAL 238 CO 0.00 0.19 0.16 0.00 0.00 0.00 0.00 175.10 175.45 8icx s GLN 240 N -3.84 0.47 0.27 0.00 0.74 -0.84 0.48 119.66 116.95 8icx s GLN 240 Ca 0.37 0.63 -0.29 0.00 0.05 0.00 0.00 55.36 56.12 8icx s GLN 240 Cb 0.05 0.19 -0.09 0.00 1.10 0.00 0.00 33.01 34.26 8icx s GLN 240 CO 0.18 -0.07 0.99 -0.51 -0.55 0.00 0.00 175.29 175.33 8icx s LEU 241 N 0.58 4.54 -0.08 3.68 1.43 -1.26 -4.62 118.68 122.96 8icx s LEU 241 Ca -0.01 2.03 -0.33 0.00 -1.03 0.00 0.00 54.13 54.80 8icx s LEU 241 Cb -0.05 -3.71 -0.11 0.00 0.03 0.00 0.00 46.19 42.35 8icx s LEU 241 CO -0.09 -0.00 1.93 -2.65 0.23 0.00 0.00 176.35 175.76 8icx n PRO 242 N 1.17 2.27 -2.29 1.29 -0.02 -1.26 -4.15 135.00 132.00 8icx n PRO 242 Ca -0.01 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 61.88 8icx n PRO 242 Cb 0.47 -2.73 -0.03 0.00 -0.02 0.00 0.00 33.50 31.19 8icx n PRO 242 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 8icx s SER 243 N 4.44 6.06 0.00 2.55 0.01 -1.26 -4.85 113.70 120.65 8icx s SER 243 Ca 0.93 0.56 0.00 0.00 1.31 0.00 0.00 55.95 58.75 8icx s SER 243 Cb -0.63 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.06 8icx s SER 243 CO 0.49 -1.71 0.00 0.29 0.41 0.00 0.00 173.24 172.72 8icx n LYS 244 N 8.54 0.00 -3.29 12.44 4.76 -1.25 -4.39 118.16 134.96 8icx n LYS 244 Ca 0.16 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.25 8icx n LYS 244 Cb 0.49 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.64 8icx n LYS 244 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 8icx n ASN 245 N 0.00 4.86 -0.39 4.39 5.03 -1.26 -5.02 115.26 122.87 8icx n ASN 245 Ca 0.00 -3.39 0.00 0.00 0.87 0.00 0.00 54.58 52.06 8icx n ASN 245 Cb 0.00 -0.95 0.00 0.00 -1.02 0.00 0.00 39.78 37.81 8icx n ASN 245 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 8icx n ASP 246 N 1.23 0.00 0.00 6.41 9.92 -1.26 -4.82 116.55 128.02 8icx n ASP 246 Ca 0.27 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.53 8icx n ASP 246 Cb 0.37 -1.16 0.00 0.00 -0.64 0.00 0.00 41.12 39.69 8icx n ASP 246 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 8icx n GLU 247 N -1.94 0.00 -3.51 -1.24 -0.58 -1.26 -4.95 120.64 107.16 8icx n GLU 247 Ca 0.00 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.49 8icx n GLU 247 Cb 0.19 -0.07 -0.14 0.00 -0.57 0.00 0.00 31.44 30.85 8icx n GLU 247 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 8icx s LYS 248 N -0.73 0.22 0.18 3.49 0.00 -1.26 -5.13 119.74 116.50 8icx s LYS 248 Ca 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 55.97 55.57 8icx s LYS 248 Cb 0.00 -1.08 -0.05 0.00 0.00 0.00 0.00 37.83 36.70 8icx s LYS 248 CO 0.00 -0.98 0.41 -2.00 0.00 0.00 0.00 175.35 172.78 8icx s GLU 249 N 2.18 3.62 0.12 1.78 2.12 -1.26 -3.96 118.70 123.30 8icx s GLU 249 Ca 0.08 -0.09 -0.12 0.00 0.36 0.00 0.00 54.97 55.20 8icx s GLU 249 Cb -0.15 -2.81 -0.06 0.00 0.26 0.00 0.00 34.13 31.37 8icx s GLU 249 CO -0.33 0.41 0.48 0.71 -0.54 0.00 0.00 175.26 176.00 8icx s TYR 250 N -1.76 3.58 0.54 5.30 2.02 -1.26 -5.00 117.35 120.78 8icx s TYR 250 Ca 0.41 0.92 -0.20 0.00 -0.37 0.00 0.00 57.07 57.84 8icx s TYR 250 Cb -0.12 -2.26 -0.06 0.00 -0.40 0.00 0.00 41.96 39.12 8icx s TYR 250 CO 0.26 0.46 1.13 -2.14 -1.57 0.00 0.00 175.55 173.69 8icx s PRO 251 N -1.99 3.39 -0.01 -1.71 0.02 -1.26 -4.83 135.00 128.61 8icx s PRO 251 Ca 0.36 1.61 -0.30 0.00 0.02 0.00 0.00 61.00 62.69 8icx s PRO 251 Cb -0.14 -2.02 -0.03 0.00 0.02 0.00 0.00 34.50 32.32 8icx s PRO 251 CO 0.19 -0.82 1.07 -1.01 -0.33 0.00 0.00 177.00 176.10 8icx s HIS 252 N -1.77 3.51 0.04 6.54 3.76 -1.26 -4.64 115.29 121.47 8icx s HIS 252 Ca 0.72 1.51 0.08 0.00 -0.15 0.00 0.00 55.06 57.22 8icx s HIS 252 Cb -0.24 -3.25 -0.03 0.00 1.11 0.00 0.00 32.58 30.17 8icx s HIS 252 CO 0.27 -0.55 -0.22 1.03 -0.85 0.00 0.00 174.74 174.42 8icx s ARG 253 N 1.36 1.99 -0.08 1.40 3.00 0.18 -4.21 118.95 122.60 8icx s ARG 253 Ca 0.54 -1.02 -0.30 0.00 0.00 0.00 0.00 55.73 54.95 8icx s ARG 253 Cb -0.23 -2.11 -0.03 0.00 0.00 0.00 0.00 34.95 32.57 8icx s ARG 253 CO 0.26 0.53 1.32 1.03 0.00 0.00 0.00 175.30 178.44 8icx s ARG 254 N -1.29 4.28 0.08 3.54 1.81 -1.26 0.07 118.95 126.18 8icx s ARG 254 Ca 0.13 1.80 0.06 0.00 -1.72 0.00 0.00 55.73 56.01 8icx s ARG 254 Cb -0.10 -3.67 -0.03 0.00 -0.45 0.00 0.00 34.95 30.69 8icx s ARG 254 CO 0.03 -0.61 -0.16 -1.50 -0.68 0.00 0.00 175.30 172.38 8icx s ILE 255 N 2.87 1.32 -0.05 1.52 2.07 -0.79 -1.55 121.20 126.58 8icx s ILE 255 Ca 0.59 -1.40 -0.02 0.00 -1.41 0.00 0.00 60.65 58.41 8icx s ILE 255 Cb -0.26 -1.25 0.04 0.00 0.13 0.00 0.00 42.46 41.11 8icx s ILE 255 CO 0.22 -0.18 0.10 -1.81 -1.91 0.00 0.00 174.94 171.35 8icx s ASP 256 N -1.83 0.30 -0.01 4.50 1.01 -0.79 -0.53 116.67 119.32 8icx s ASP 256 Ca 0.01 0.19 0.07 0.00 0.71 0.00 0.00 52.55 53.53 8icx s ASP 256 Cb -0.10 0.07 -0.02 0.00 1.01 0.00 0.00 42.92 43.88 8icx s ASP 256 CO 0.03 -0.18 -0.22 -0.63 0.21 0.00 0.00 175.17 174.39 8icx s ILE 257 N 1.50 1.70 0.01 0.77 1.01 -1.05 -0.88 121.20 124.25 8icx s ILE 257 Ca -0.05 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.67 8icx s ILE 257 Cb -0.12 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 8icx s ILE 257 CO -0.04 0.44 -0.09 0.00 0.00 0.00 0.00 174.94 175.25 8icx s ARG 258 N -0.60 0.66 0.38 2.79 1.70 -1.12 -1.50 118.95 121.25 8icx s ARG 258 Ca 0.08 -0.40 -0.23 0.00 -0.47 0.00 0.00 55.73 54.71 8icx s ARG 258 Cb -0.08 -0.62 -0.10 0.00 -0.57 0.00 0.00 34.95 33.57 8icx s ARG 258 CO -0.00 0.16 0.93 -1.17 -1.08 0.00 0.00 175.30 174.14 8icx s LEU 259 N -0.48 4.12 -0.05 -1.89 2.96 0.26 -0.16 118.68 123.43 8icx s LEU 259 Ca 0.01 1.72 -0.05 0.00 -0.22 0.00 0.00 54.13 55.60 8icx s LEU 259 Cb -0.05 -4.28 0.01 0.00 0.50 0.00 0.00 46.19 42.38 8icx s LEU 259 CO -0.00 -0.22 0.14 -0.63 -1.32 0.00 0.00 176.35 174.31 8icx s ILE 260 N -1.92 -0.00 -0.02 6.68 -1.09 0.26 -4.85 121.20 120.26 8icx s ILE 260 Ca 0.56 0.01 -0.30 0.00 -2.23 0.00 0.00 60.65 58.69 8icx s ILE 260 Cb -0.13 -0.20 -0.07 0.00 -1.58 0.00 0.00 42.46 40.48 8icx s ILE 260 CO 0.18 0.00 1.88 -2.84 -1.23 0.00 0.00 174.94 172.93 8icx s PRO 261 N 0.12 4.06 0.36 2.79 0.02 -1.24 -3.72 135.00 137.40 8icx s PRO 261 Ca -0.00 2.41 0.20 0.00 0.02 0.00 0.00 61.00 63.62 8icx s PRO 261 Cb -0.01 -4.12 1.30 0.00 0.02 0.00 0.00 34.50 31.68 8icx s PRO 261 CO -0.00 -1.03 1.59 -0.22 -0.33 0.00 0.00 177.00 177.01 8icx h LYS 262 N 10.64 0.04 -0.65 5.54 1.63 0.67 0.37 116.57 134.81 8icx h LYS 262 Ca -0.45 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 8icx h LYS 262 Cb 1.22 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 8icx h LYS 262 CO 0.95 0.03 0.00 -0.40 -3.45 0.00 0.00 179.45 176.58 8icx n ASP 263 N -5.24 0.65 -0.44 4.20 5.75 -1.26 -2.90 116.55 117.31 8icx n ASP 263 Ca 0.37 -1.31 0.00 0.00 -0.01 0.00 0.00 54.79 53.84 8icx n ASP 263 Cb 1.24 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 41.00 8icx n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 8icx n GLN 264 N 0.16 0.00 0.00 0.11 10.64 0.13 -4.91 117.38 123.52 8icx n GLN 264 Ca 0.00 -0.39 0.00 0.00 -1.83 0.00 0.00 57.00 54.78 8icx n GLN 264 Cb 0.16 -0.21 0.00 0.00 -0.86 0.00 0.00 30.24 29.34 8icx n GLN 264 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 8icx n TYR 265 N 0.00 0.00 -0.27 2.61 9.36 -1.14 -2.59 117.16 125.12 8icx n TYR 265 Ca 0.00 0.00 0.25 0.00 3.32 0.00 0.00 57.90 61.47 8icx n TYR 265 Cb 0.57 0.00 0.44 0.00 -0.63 0.00 0.00 39.34 39.72 8icx n TYR 265 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 8icx n TYR 266 N -0.28 0.68 0.15 2.98 4.01 -1.26 0.13 117.16 123.56 8icx n TYR 266 Ca 0.00 0.68 -0.13 0.00 -0.16 0.00 0.00 57.90 58.30 8icx n TYR 266 Cb 0.00 -1.10 -0.08 0.00 -0.31 0.00 0.00 39.34 37.85 8icx n TYR 266 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 8icx h GLY 268 N -0.84 1.55 0.81 0.00 0.00 0.13 0.73 103.07 105.46 8icx h GLY 268 Ca -0.04 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 8icx h GLY 268 CO 0.07 -0.02 -0.11 -2.08 0.00 0.00 0.00 176.54 174.40 8icx h VAL 269 N 0.72 1.31 0.09 4.60 2.07 0.57 -0.08 116.25 125.52 8icx h VAL 269 Ca 0.51 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.87 8icx h VAL 269 Cb 0.72 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 8icx h VAL 269 CO -0.36 0.36 -0.32 0.25 0.02 0.00 0.00 177.57 177.52 8icx h LEU 270 N 0.14 -0.94 -0.09 2.57 5.85 0.45 -2.19 115.31 121.10 8icx h LEU 270 Ca 0.05 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.89 8icx h LEU 270 Cb 0.60 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 8icx h LEU 270 CO 0.03 -0.40 -0.21 0.22 -0.34 0.00 0.00 178.44 177.74 8icx h TYR 271 N -0.53 -0.62 0.00 1.25 3.20 0.44 -2.33 116.97 118.39 8icx h TYR 271 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 8icx h TYR 271 Cb 0.57 0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.12 8icx h TYR 271 CO -0.30 -0.20 0.00 1.19 -1.64 0.00 0.00 178.16 177.21 8icx n PHE 272 N -3.66 0.50 0.16 -3.82 3.72 -0.05 -1.32 117.46 112.99 8icx n PHE 272 Ca -0.02 0.25 0.04 0.00 -0.05 0.00 0.00 57.45 57.68 8icx n PHE 272 Cb 0.14 -0.91 0.15 0.00 -0.94 0.00 0.00 39.48 37.92 8icx n PHE 272 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 8icx h THR 273 N 0.00 0.81 -0.16 4.37 2.02 -0.81 -2.90 112.91 116.25 8icx h THR 273 Ca 0.00 -1.91 0.00 0.00 0.77 0.00 0.00 66.41 65.27 8icx h THR 273 Cb 0.03 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 8icx h THR 273 CO 0.00 0.42 0.00 0.61 0.37 0.00 0.00 175.52 176.92 8icx n GLY 274 N 0.87 -1.03 3.27 2.16 0.00 -0.44 -4.41 105.19 105.61 8icx n GLY 274 Ca 0.01 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 8icx n GLY 274 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 8icx n SER 275 N -0.47 -0.44 -0.35 1.61 3.41 -0.73 -4.50 113.62 112.16 8icx n SER 275 Ca 0.00 -1.33 0.07 0.00 -0.26 0.00 0.00 58.87 57.35 8icx n SER 275 Cb 0.00 -0.88 0.23 0.00 -0.26 0.00 0.00 64.21 63.30 8icx n SER 275 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 8icx h ASP 276 N -1.77 0.86 0.02 4.04 3.32 -1.89 -1.73 116.42 119.26 8icx h ASP 276 Ca -0.37 0.05 -0.18 0.00 0.02 0.00 0.00 57.03 56.55 8icx h ASP 276 Cb 1.04 -0.12 0.02 0.00 0.22 0.00 0.00 39.33 40.49 8icx h ASP 276 CO 0.26 0.45 -0.72 0.16 -1.72 0.00 0.00 179.24 177.66 8icx h ILE 277 N 0.93 1.40 -0.44 0.35 -2.65 -1.88 -2.95 117.51 112.27 8icx h ILE 277 Ca 0.48 -2.16 0.08 0.00 1.03 0.00 0.00 64.86 64.29 8icx h ILE 277 Cb 0.50 2.61 -0.02 0.00 -2.05 0.00 0.00 36.82 37.86 8icx h ILE 277 CO -0.28 0.63 0.30 0.15 0.03 0.00 0.00 178.15 178.99 8icx h PHE 278 N -0.02 0.28 0.66 0.16 3.57 -1.44 0.52 116.94 120.67 8icx h PHE 278 Ca -0.09 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 8icx h PHE 278 Cb 1.43 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 40.08 8icx h PHE 278 CO 0.14 0.14 -0.32 -0.91 -2.23 0.00 0.00 178.31 175.14 8icx h ASN 279 N 0.27 -0.75 -0.38 0.41 -0.26 -1.38 0.67 115.58 114.15 8icx h ASN 279 Ca 0.20 0.03 0.07 0.00 -0.56 0.00 0.00 56.30 56.04 8icx h ASN 279 Cb 0.44 0.19 -0.07 0.00 -1.06 0.00 0.00 38.32 37.83 8icx h ASN 279 CO -0.04 -0.41 -0.07 0.11 -1.06 0.00 0.00 177.43 175.96 8icx h LYS 280 N -1.15 0.03 -0.57 0.81 1.57 -1.21 1.31 116.57 117.34 8icx h LYS 280 Ca -0.09 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 8icx h LYS 280 Cb 0.68 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 8icx h LYS 280 CO 0.15 0.02 0.31 -0.91 -0.57 0.00 0.00 179.45 178.44 8icx h ASN 281 N 0.03 0.70 -0.19 0.86 4.21 0.01 0.66 115.58 121.87 8icx h ASN 281 Ca 0.18 -0.05 -0.05 0.00 1.21 0.00 0.00 56.30 57.59 8icx h ASN 281 Cb 0.28 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 8icx h ASN 281 CO -0.37 0.57 -0.08 -0.03 -1.29 0.00 0.00 177.43 176.23 8icx h MET 282 N 0.80 0.39 -0.53 0.81 4.05 0.46 -2.73 114.93 118.18 8icx h MET 282 Ca 0.20 -0.17 0.04 0.00 -0.28 0.00 0.00 59.70 59.50 8icx h MET 282 Cb 0.03 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.77 8icx h MET 282 CO -0.03 0.68 0.28 0.00 0.23 0.00 0.00 176.91 178.07 8icx h ARG 283 N 0.09 0.53 -0.45 0.39 3.08 0.23 -0.53 114.38 117.72 8icx h ARG 283 Ca 0.04 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.12 8icx h ARG 283 Cb 0.56 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 8icx h ARG 283 CO 0.03 0.35 0.31 0.00 -1.07 0.00 0.00 179.97 179.58 8icx h ALA 284 N 1.27 1.97 0.22 0.04 0.00 0.31 -3.10 119.26 119.97 8icx h ALA 284 Ca 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 8icx h ALA 284 Cb 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.82 8icx h ALA 284 CO -0.14 -0.05 -0.11 1.25 0.00 0.00 0.00 179.25 180.20 8icx h HIS 285 N 0.36 -0.27 -0.64 0.00 -0.00 -0.79 -3.30 115.15 110.51 8icx h HIS 285 Ca 0.20 -0.01 0.19 0.00 -0.00 0.00 0.00 60.37 60.75 8icx h HIS 285 Cb 0.33 0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 27.81 8icx h HIS 285 CO -0.00 0.06 1.07 0.00 -0.00 0.00 0.00 177.93 179.06 8icx h ALA 286 N -0.62 2.57 -0.16 5.26 0.00 -1.35 0.53 119.26 125.48 8icx h ALA 286 Ca -0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 8icx h ALA 286 Cb 0.46 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 8icx h ALA 286 CO 0.05 -1.40 -0.08 1.25 0.00 0.00 0.00 179.25 179.07 8icx h LEU 287 N 0.00 0.34 -0.09 0.00 7.12 -1.57 3.98 115.31 125.09 8icx h LEU 287 Ca 0.31 -0.41 -0.06 0.00 0.13 0.00 0.00 57.88 57.84 8icx h LEU 287 Cb 2.44 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 42.48 8icx h LEU 287 CO -0.00 0.68 -0.20 -0.33 -0.13 0.00 0.00 178.44 178.46 8icx h GLU 288 N -0.00 0.29 0.00 1.25 4.39 -0.10 -3.01 114.58 117.40 8icx h GLU 288 Ca 0.03 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.54 8icx h GLU 288 Cb 0.55 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 8icx h GLU 288 CO 0.02 0.79 0.00 1.63 -1.16 0.00 0.00 179.01 180.30 8icx n LYS 289 N -4.54 0.04 -1.96 2.33 4.76 -0.66 -4.75 118.16 113.38 8icx n LYS 289 Ca -0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 8icx n LYS 289 Cb 0.41 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 8icx n LYS 289 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 8icx n GLY 290 N -0.67 0.59 0.78 0.72 0.00 -0.97 -4.92 105.19 100.73 8icx n GLY 290 Ca 0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 46.02 45.19 8icx n GLY 290 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 8icx n PHE 291 N -3.48 -0.15 -3.71 1.61 3.72 1.31 0.28 117.46 117.04 8icx n PHE 291 Ca 0.00 -0.67 -0.11 0.00 -0.05 0.00 0.00 57.45 56.62 8icx n PHE 291 Cb 0.47 0.06 -0.11 0.00 -0.94 0.00 0.00 39.48 38.95 8icx n PHE 291 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 8icx s THR 292 N -2.25 -0.02 0.09 4.37 -1.32 0.67 -3.35 115.64 113.83 8icx s THR 292 Ca 0.09 0.08 0.08 0.00 -1.21 0.00 0.00 61.69 60.73 8icx s THR 292 Cb 0.00 -0.55 -0.03 0.00 -1.51 0.00 0.00 72.50 70.41 8icx s THR 292 CO 0.06 0.03 -0.21 -0.63 -2.21 0.00 0.00 174.62 171.66 8icx s ILE 293 N 1.10 1.73 -0.05 5.08 -1.09 -1.26 -1.15 121.20 125.55 8icx s ILE 293 Ca -0.07 -1.45 -0.29 0.00 -2.23 0.00 0.00 60.65 56.60 8icx s ILE 293 Cb -0.07 -1.55 0.11 0.00 -1.58 0.00 0.00 42.46 39.37 8icx s ILE 293 CO -0.09 0.02 0.92 0.54 -1.23 0.00 0.00 174.94 175.10 8icx s ASN 294 N -1.70 -0.38 0.08 3.58 6.03 -1.06 -4.99 114.94 116.51 8icx s ASN 294 Ca 0.07 0.14 0.00 0.00 -1.03 0.00 0.00 52.86 52.05 8icx s ASN 294 Cb -0.10 0.36 0.00 0.00 -3.03 0.00 0.00 41.25 38.49 8icx s ASN 294 CO 0.04 -0.54 0.20 -1.84 -2.03 0.00 0.00 177.10 172.93 8icx n GLU 295 N 0.08 0.00 0.00 3.55 0.00 -1.26 -1.30 120.64 121.71 8icx n GLU 295 Ca -0.09 0.11 0.00 0.00 0.00 0.00 0.00 57.16 57.17 8icx n GLU 295 Cb 0.60 -0.62 0.00 0.00 0.00 0.00 0.00 31.44 31.42 8icx n GLU 295 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 8icx n TYR 296 N -0.60 0.00 -3.67 -1.84 4.02 -1.26 -2.64 117.16 111.18 8icx n TYR 296 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.81 8icx n TYR 296 Cb 0.20 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.52 8icx n TYR 296 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 8icx n THR 297 N 0.00 0.00 -3.36 -0.72 -2.24 -0.42 -4.72 114.28 102.82 8icx n THR 297 Ca 0.00 -0.87 -0.13 0.00 -2.27 0.00 0.00 64.05 60.78 8icx n THR 297 Cb 0.00 0.73 -0.08 0.00 -2.10 0.00 0.00 70.33 68.88 8icx n THR 297 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 8icx s ILE 298 N -2.47 -0.51 -0.15 2.28 2.07 -1.25 -2.55 121.20 118.62 8icx s ILE 298 Ca 0.14 -0.36 -0.08 0.00 -1.41 0.00 0.00 60.65 58.94 8icx s ILE 298 Cb -0.03 -0.96 -0.04 0.00 0.13 0.00 0.00 42.46 41.56 8icx s ILE 298 CO 0.10 -0.35 0.14 -0.13 -1.91 0.00 0.00 174.94 172.79 8icx s ARG 299 N 2.45 3.72 0.09 3.50 0.52 -0.30 -0.77 118.95 128.16 8icx s ARG 299 Ca 0.10 -0.16 -0.31 0.00 -0.52 0.00 0.00 55.73 54.84 8icx s ARG 299 Cb -0.13 -3.27 -0.06 0.00 0.52 0.00 0.00 34.95 32.00 8icx s ARG 299 CO -0.29 0.60 1.23 -1.25 0.02 0.00 0.00 175.30 175.61 8icx s PRO 300 N -0.52 4.42 0.30 3.54 0.04 -1.26 -0.23 135.00 141.29 8icx s PRO 300 Ca 0.12 1.83 -0.25 0.00 0.04 0.00 0.00 61.00 62.74 8icx s PRO 300 Cb -0.12 -3.32 -0.10 0.00 0.04 0.00 0.00 34.50 31.01 8icx s PRO 300 CO 0.02 -0.26 0.90 -1.17 0.04 0.00 0.00 177.00 176.53 8icx s LEU 301 N 0.88 4.37 0.03 -3.56 2.96 0.14 -4.18 118.68 119.32 8icx s LEU 301 Ca 0.59 1.77 0.07 0.00 -0.22 0.00 0.00 54.13 56.34 8icx s LEU 301 Cb -0.31 -3.90 -0.03 0.00 0.50 0.00 0.00 46.19 42.45 8icx s LEU 301 CO 0.30 -0.03 -0.20 -0.83 -1.32 0.00 0.00 176.35 174.27 8icx s GLY 302 N -1.58 1.51 0.60 7.98 0.00 -1.26 -4.88 107.32 109.68 8icx s GLY 302 Ca 0.48 -1.19 0.35 0.00 0.00 0.00 0.00 44.72 44.36 8icx s GLY 302 CO 0.24 -1.06 2.23 -0.24 0.00 0.00 0.00 173.10 174.27 8icx h VAL 303 N 4.09 0.30 0.00 1.40 3.04 -1.99 -3.18 116.25 119.92 8icx h VAL 303 Ca -0.47 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 8icx h VAL 303 Cb 1.15 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 8icx h VAL 303 CO 0.47 0.03 0.00 0.35 -1.01 0.00 0.00 177.57 177.41 8icx n THR 304 N -3.46 0.00 0.00 3.17 -2.24 -1.26 -4.67 114.28 105.82 8icx n THR 304 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 8icx n THR 304 Cb 0.14 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 8icx n THR 304 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 8icx n GLY 305 N -0.87 3.40 3.40 3.38 0.00 -1.20 -5.03 105.19 108.27 8icx n GLY 305 Ca 0.00 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 8icx n GLY 305 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 8icx s VAL 306 N 0.00 0.28 -0.04 1.61 -7.23 -1.22 -4.85 120.40 108.94 8icx s VAL 306 Ca 0.00 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.86 8icx s VAL 306 Cb 0.00 -2.41 0.12 0.00 0.56 0.00 0.00 36.38 34.66 8icx s VAL 306 CO 0.00 0.00 1.33 0.00 -0.31 0.00 0.00 175.10 176.12 8icx s ALA 307 N -3.34 -2.37 0.00 1.32 0.00 -1.26 -4.18 121.76 111.93 8icx s ALA 307 Ca 0.32 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.89 8icx s ALA 307 Cb 0.02 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.60 8icx s ALA 307 CO 0.21 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.30 8icx n GLY 308 N -0.59 5.38 0.91 0.00 0.00 -1.26 -4.84 105.19 104.79 8icx n GLY 308 Ca -0.06 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.51 8icx n GLY 308 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 8icx n GLU 309 N 0.00 0.00 -0.86 1.61 4.71 -1.26 -4.16 120.64 120.68 8icx n GLU 309 Ca 0.00 0.16 -0.19 0.00 -0.01 0.00 0.00 57.16 57.12 8icx n GLU 309 Cb 0.00 -0.91 -0.11 0.00 -1.01 0.00 0.00 31.44 29.42 8icx n GLU 309 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 8icx n PRO 310 N -0.74 0.00 -2.09 3.49 -0.02 -1.26 -4.39 135.00 129.99 8icx n PRO 310 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 8icx n PRO 310 Cb 0.30 -0.74 -0.02 0.00 -0.02 0.00 0.00 33.50 33.03 8icx n PRO 310 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 8icx s LEU 311 N 2.95 4.40 -0.20 2.45 1.02 0.05 -4.94 118.68 124.41 8icx s LEU 311 Ca 0.77 2.71 -0.29 0.00 0.02 0.00 0.00 54.13 57.34 8icx s LEU 311 Cb -0.62 -3.67 -0.03 0.00 0.02 0.00 0.00 46.19 41.89 8icx s LEU 311 CO 0.30 -0.58 1.65 -2.84 0.02 0.00 0.00 176.35 174.90 8icx s PRO 312 N -1.85 3.80 -0.24 1.29 0.02 -1.26 -4.50 135.00 132.26 8icx s PRO 312 Ca 0.50 1.73 -0.07 0.00 0.02 0.00 0.00 61.00 63.18 8icx s PRO 312 Cb -0.40 -4.05 -0.02 0.00 0.02 0.00 0.00 34.50 30.05 8icx s PRO 312 CO 0.53 -1.29 0.05 0.08 -0.33 0.00 0.00 177.00 176.04 8icx s VAL 313 N 5.23 4.13 -0.81 3.83 1.01 -1.26 -4.97 120.40 127.55 8icx s VAL 313 Ca 0.73 -0.24 0.18 0.00 0.00 0.00 0.00 61.98 62.65 8icx s VAL 313 Cb -0.26 -2.92 -0.20 0.00 0.00 0.00 0.00 36.38 33.00 8icx s VAL 313 CO 0.30 0.36 0.74 0.47 0.00 0.00 0.00 175.10 176.97 8icx n ASP 314 N 4.84 0.84 0.00 3.32 9.92 -1.26 -4.90 116.55 129.31 8icx n ASP 314 Ca -0.17 -0.88 0.00 0.00 -0.53 0.00 0.00 54.79 53.22 8icx n ASP 314 Cb 0.51 1.04 0.00 0.00 -0.64 0.00 0.00 41.12 42.04 8icx n ASP 314 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 8icx n SER 315 N -1.46 0.00 -0.58 -2.24 2.88 -1.26 -5.00 113.62 105.96 8icx n SER 315 Ca 0.03 0.00 0.46 0.00 -1.33 0.00 0.00 58.87 58.03 8icx n SER 315 Cb 0.29 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 64.46 8icx n SER 315 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 8icx n GLU 316 N -0.02 0.00 0.24 -1.46 1.02 -1.26 -0.45 120.64 118.71 8icx n GLU 316 Ca 0.00 1.05 -0.10 0.00 -0.02 0.00 0.00 57.16 58.09 8icx n GLU 316 Cb 0.00 -2.48 -0.05 0.00 -0.02 0.00 0.00 31.44 28.89 8icx n GLU 316 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 8icx h LYS 317 N 0.00 -0.62 -0.97 3.49 1.63 -1.98 -2.82 116.57 115.30 8icx h LYS 317 Ca 0.82 0.04 0.24 0.00 -0.85 0.00 0.00 60.65 60.90 8icx h LYS 317 Cb 3.53 0.14 -0.18 0.00 -0.60 0.00 0.00 32.23 35.12 8icx h LYS 317 CO -0.01 -0.42 -0.06 -0.44 -3.45 0.00 0.00 179.45 175.07 8icx h ASP 318 N -0.65 -0.61 -0.08 4.20 3.32 -1.15 1.28 116.42 122.72 8icx h ASP 318 Ca -0.06 0.28 0.03 0.00 0.02 0.00 0.00 57.03 57.30 8icx h ASP 318 Cb 0.51 0.52 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 8icx h ASP 318 CO 0.07 -0.33 -0.13 0.40 -1.72 0.00 0.00 179.24 177.52 8icx h ILE 319 N 0.01 0.65 0.22 0.35 2.04 -1.56 -0.55 117.51 118.67 8icx h ILE 319 Ca 0.55 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.40 8icx h ILE 319 Cb 1.03 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 8icx h ILE 319 CO -0.94 0.00 -0.36 -0.26 0.00 0.00 0.00 178.15 176.59 8icx h PHE 320 N -0.18 -1.03 -0.98 1.37 0.04 0.17 -2.83 116.94 113.50 8icx h PHE 320 Ca 0.08 0.02 0.18 0.00 2.80 0.00 0.00 57.97 61.04 8icx h PHE 320 Cb 0.29 0.42 -0.18 0.00 2.20 0.00 0.00 35.95 38.68 8icx h PHE 320 CO -0.23 -0.45 -0.30 -0.44 -0.60 0.00 0.00 178.31 176.29 8icx h ASP 321 N -0.62 -1.10 -0.35 2.17 3.32 -0.35 0.34 116.42 119.83 8icx h ASP 321 Ca -0.03 0.30 0.04 0.00 0.02 0.00 0.00 57.03 57.36 8icx h ASP 321 Cb 0.57 0.66 -0.06 0.00 0.22 0.00 0.00 39.33 40.72 8icx h ASP 321 CO -0.12 -0.31 -0.41 1.88 -1.72 0.00 0.00 179.24 178.55 8icx h TYR 322 N -0.00 -1.27 0.00 4.55 -1.99 -0.88 1.25 116.97 118.62 8icx h TYR 322 Ca 0.42 0.07 0.00 0.00 2.00 0.00 0.00 58.73 61.22 8icx h TYR 322 Cb 0.67 0.60 0.00 0.00 2.00 0.00 0.00 36.73 40.00 8icx h TYR 322 CO -0.80 -0.35 0.00 0.44 -0.00 0.00 0.00 178.16 177.45 8icx n ILE 323 N -4.66 0.00 -3.57 -2.88 -5.35 -0.22 -4.91 119.36 97.77 8icx n ILE 323 Ca -0.02 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.25 8icx n ILE 323 Cb 0.24 -0.23 0.01 0.00 -1.74 0.00 0.00 39.64 37.91 8icx n ILE 323 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 8icx n GLN 324 N -0.70 -1.58 -4.61 6.28 10.64 0.43 -4.89 117.38 122.96 8icx n GLN 324 Ca 0.09 1.05 -0.30 0.00 -1.83 0.00 0.00 57.00 56.01 8icx n GLN 324 Cb 0.04 -3.13 -0.07 0.00 -0.86 0.00 0.00 30.24 26.22 8icx n GLN 324 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.06 177.10 8icx n TRP 325 N -2.07 0.69 -3.22 2.61 -0.00 -0.94 -4.96 117.44 109.55 8icx n TRP 325 Ca -0.21 -2.62 -0.39 0.00 -0.00 0.00 0.00 57.50 54.28 8icx n TRP 325 Cb 0.64 -0.18 -0.06 0.00 -0.00 0.00 0.00 31.31 31.71 8icx n TRP 325 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 177.69 176.10 8icx s LYS 326 N -3.74 4.23 0.14 5.87 -2.85 -1.26 -4.53 119.74 117.59 8icx s LYS 326 Ca 0.10 0.48 -0.33 0.00 -1.00 0.00 0.00 55.97 55.22 8icx s LYS 326 Cb 0.00 -3.54 -0.12 0.00 -2.06 0.00 0.00 37.83 32.11 8icx s LYS 326 CO 0.07 -0.11 1.73 0.98 0.10 0.00 0.00 175.35 178.12 8icx n TYR 327 N 4.60 2.52 -4.25 1.78 4.19 -1.26 -4.93 117.16 119.81 8icx n TYR 327 Ca -0.04 0.05 -0.34 0.00 3.31 0.00 0.00 57.90 60.88 8icx n TYR 327 Cb 0.50 -2.65 -0.13 0.00 0.49 0.00 0.00 39.34 37.56 8icx n TYR 327 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 8icx s ARG 328 N 1.84 3.59 0.70 2.98 0.52 -1.26 -5.09 118.95 122.24 8icx s ARG 328 Ca 0.80 -0.55 -0.13 0.00 -0.52 0.00 0.00 55.73 55.33 8icx s ARG 328 Cb -0.57 -2.96 0.02 0.00 0.52 0.00 0.00 34.95 31.95 8icx s ARG 328 CO 0.37 0.10 1.10 -1.21 0.02 0.00 0.00 175.30 175.69 8icx s GLU 329 N 0.74 2.58 0.19 3.54 2.02 -1.26 -4.86 118.70 121.65 8icx s GLU 329 Ca -0.01 1.30 -0.16 0.00 0.02 0.00 0.00 54.97 56.12 8icx s GLU 329 Cb -0.14 -1.93 0.17 0.00 0.10 0.00 0.00 34.13 32.33 8icx s GLU 329 CO 0.02 -1.41 1.63 -1.35 0.02 0.00 0.00 175.26 174.17 8icx h PRO 330 N -0.43 -0.04 -0.95 0.39 0.11 -1.96 -0.41 132.00 128.71 8icx h PRO 330 Ca -0.45 0.00 0.32 0.00 0.11 0.00 0.00 66.00 65.98 8icx h PRO 330 Cb 1.24 0.01 -0.18 0.00 0.11 0.00 0.00 31.00 32.18 8icx h PRO 330 CO 0.53 -0.03 0.22 1.17 -0.21 0.00 0.00 178.00 179.68 8icx n LYS 331 N -5.40 -0.07 -1.01 1.05 4.81 -1.26 -0.33 118.16 115.95 8icx n LYS 331 Ca 0.05 1.38 -0.11 0.00 -0.87 0.00 0.00 58.31 58.76 8icx n LYS 331 Cb 0.31 -2.31 0.24 0.00 0.02 0.00 0.00 35.03 33.29 8icx n LYS 331 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 8icx n ASP 332 N -5.31 3.89 -0.96 3.14 5.68 -0.17 -4.30 116.55 118.51 8icx n ASP 332 Ca 0.28 -3.46 0.05 0.00 -0.50 0.00 0.00 54.79 51.16 8icx n ASP 332 Cb 0.94 -0.74 0.20 0.00 -1.14 0.00 0.00 41.12 40.37 8icx n ASP 332 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 8icx n ARG 333 N -0.74 2.44 -0.12 0.11 5.12 0.55 -4.44 116.66 119.58 8icx n ARG 333 Ca 0.45 -1.56 0.27 0.00 -1.93 0.00 0.00 57.85 55.08 8icx n ARG 333 Cb 1.38 -1.57 0.67 0.00 -1.16 0.00 0.00 32.46 31.78 8icx n ARG 333 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 8icx h SER 334 N 2.27 0.00 0.00 0.55 0.02 -1.76 -1.93 113.55 112.70 8icx h SER 334 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 8icx h SER 334 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 8icx h SER 334 CO 0.11 0.00 0.00 -1.84 -1.14 0.00 0.00 176.83 173.96