#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7ice n THR 10 N 0.00 0.00 0.01 2.62 5.66 -1.26 -4.88 114.28 116.43 7ice n THR 10 Ca 0.00 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.09 7ice n THR 10 Cb 0.00 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.65 7ice n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 7ice n LEU 11 N 0.00 0.21 -0.30 1.09 -0.00 -1.26 -4.31 117.00 112.43 7ice n LEU 11 Ca 0.00 0.08 0.04 0.00 -0.00 0.00 0.00 56.01 56.13 7ice n LEU 11 Cb 0.09 0.02 0.05 0.00 -0.00 0.00 0.00 43.42 43.58 7ice n LEU 11 CO 0.00 0.00 0.37 0.59 -0.00 0.00 0.00 177.39 178.35 7ice n ASN 12 N -2.40 0.91 -0.28 1.45 5.03 -1.26 -4.61 115.26 114.10 7ice n ASN 12 Ca -0.05 -2.33 -0.12 0.00 0.87 0.00 0.00 54.58 52.95 7ice n ASN 12 Cb 0.62 -0.26 -0.10 0.00 -1.02 0.00 0.00 39.78 39.02 7ice n ASN 12 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 7ice h GLY 13 N 0.00 -0.89 0.99 7.41 0.00 -1.90 0.16 103.07 108.84 7ice h GLY 13 Ca 0.00 0.75 -0.00 0.00 0.00 0.00 0.00 47.33 48.08 7ice h GLY 13 CO 0.00 -0.04 0.29 -1.33 0.00 0.00 0.00 176.54 175.46 7ice h GLY 14 N -0.20 0.69 0.42 4.60 0.00 -1.91 0.74 103.07 107.42 7ice h GLY 14 Ca 0.12 -0.29 0.08 0.00 0.00 0.00 0.00 47.33 47.24 7ice h GLY 14 CO -0.77 0.28 0.13 -2.22 0.00 0.00 0.00 176.54 173.96 7ice h ILE 15 N 0.64 0.76 -0.22 2.60 2.04 -1.83 1.31 117.51 122.80 7ice h ILE 15 Ca 0.17 -0.09 -0.12 0.00 1.00 0.00 0.00 64.86 65.82 7ice h ILE 15 Cb -0.01 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 7ice h ILE 15 CO -0.03 0.05 -0.36 0.71 0.00 0.00 0.00 178.15 178.52 7ice h THR 16 N 0.28 1.29 -0.26 -0.27 1.35 -0.05 -2.46 112.91 112.79 7ice h THR 16 Ca 0.25 -1.48 -0.18 0.00 -0.55 0.00 0.00 66.41 64.45 7ice h THR 16 Cb 0.31 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 7ice h THR 16 CO -0.29 0.46 -0.54 0.44 -0.25 0.00 0.00 175.52 175.34 7ice h ASP 17 N 0.41 0.93 -0.50 5.36 3.32 0.33 -1.98 116.42 124.29 7ice h ASP 17 Ca 0.04 -0.55 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 7ice h ASP 17 Cb 0.82 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 7ice h ASP 17 CO 0.07 1.30 0.19 -0.03 -1.72 0.00 0.00 179.24 179.05 7ice h MET 18 N 0.59 0.76 -0.83 3.56 1.85 0.16 -1.70 114.93 119.31 7ice h MET 18 Ca 0.01 -0.14 0.14 0.00 -0.61 0.00 0.00 59.70 59.09 7ice h MET 18 Cb 1.15 -0.12 -0.09 0.00 0.43 0.00 0.00 31.60 32.97 7ice h MET 18 CO 0.12 0.68 0.42 -0.07 -0.40 0.00 0.00 176.91 177.66 7ice h LEU 19 N 0.67 0.51 -0.36 3.39 4.07 -1.42 -0.02 115.31 122.15 7ice h LEU 19 Ca 0.17 0.09 -0.07 0.00 0.08 0.00 0.00 57.88 58.14 7ice h LEU 19 Cb 0.21 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 7ice h LEU 19 CO -0.01 0.22 -0.05 0.71 -1.08 0.00 0.00 178.44 178.23 7ice h THR 20 N 0.61 1.27 -0.23 0.22 1.35 -0.86 0.17 112.91 115.45 7ice h THR 20 Ca 0.45 -1.10 0.05 0.00 -0.55 0.00 0.00 66.41 65.26 7ice h THR 20 Cb 0.61 1.25 -0.05 0.00 -1.73 0.00 0.00 68.15 68.23 7ice h THR 20 CO -0.35 0.36 -0.10 -0.33 -0.25 0.00 0.00 175.52 174.85 7ice h GLU 21 N 0.47 -0.06 -0.10 4.72 5.08 -0.23 0.13 114.58 124.59 7ice h GLU 21 Ca 0.10 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 7ice h GLU 21 Cb 0.55 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 7ice h GLU 21 CO 0.03 -0.04 -0.10 -0.07 -1.00 0.00 0.00 179.01 177.83 7ice h LEU 22 N -0.06 -0.31 0.33 1.33 -0.00 -0.99 0.14 115.31 115.74 7ice h LEU 22 Ca 0.12 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 7ice h LEU 22 Cb 0.25 0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 41.03 7ice h LEU 22 CO -0.28 -0.14 -0.39 0.00 -0.00 0.00 0.00 178.44 177.64 7ice h ALA 23 N 0.95 -0.81 -0.85 1.53 0.00 0.06 -1.81 119.26 118.32 7ice h ALA 23 Ca 0.07 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.03 7ice h ALA 23 Cb 0.23 0.58 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 7ice h ALA 23 CO -0.18 -1.00 0.42 -0.91 0.00 0.00 0.00 179.25 177.58 7ice h ASN 24 N -0.76 0.46 -0.35 0.00 2.35 -0.54 -0.35 115.58 116.39 7ice h ASN 24 Ca -0.02 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 7ice h ASN 24 Cb 0.70 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 7ice h ASN 24 CO -0.10 0.16 0.17 0.15 -1.65 0.00 0.00 177.43 176.15 7ice h PHE 25 N 0.55 0.51 -0.60 1.19 3.04 -0.23 -2.03 116.94 119.37 7ice h PHE 25 Ca 0.48 -0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.52 7ice h PHE 25 Cb 0.75 -0.16 -0.12 0.00 2.56 0.00 0.00 35.95 38.99 7ice h PHE 25 CO -0.11 0.44 -0.25 0.93 -2.02 0.00 0.00 178.31 177.30 7ice h GLU 26 N 0.43 -0.09 -0.01 1.11 4.39 -0.22 -0.49 114.58 119.69 7ice h GLU 26 Ca 0.12 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 7ice h GLU 26 Cb 0.12 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 7ice h GLU 26 CO -0.01 -0.06 0.00 -0.22 -1.16 0.00 0.00 179.01 177.55 7ice h LYS 27 N -0.10 0.02 -0.05 2.33 1.63 -1.48 -2.18 116.57 116.74 7ice h LYS 27 Ca 0.27 -0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.99 7ice h LYS 27 Cb 0.52 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 7ice h LYS 27 CO -0.66 0.31 -0.27 -0.91 -3.45 0.00 0.00 179.45 174.47 7ice h ASN 28 N -0.28 0.32 0.00 4.20 -0.26 -0.88 -3.41 115.58 115.26 7ice h ASN 28 Ca 0.00 -0.67 -0.13 0.00 -0.56 0.00 0.00 56.30 54.95 7ice h ASN 28 Cb 0.31 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.45 7ice h ASN 28 CO 0.00 0.94 -0.90 0.58 -1.06 0.00 0.00 177.43 176.99 7ice h VAL 29 N -0.27 0.51 -3.95 2.81 2.07 -1.28 -3.46 116.25 112.68 7ice h VAL 29 Ca -0.02 -1.65 -0.34 0.00 0.82 0.00 0.00 66.70 65.51 7ice h VAL 29 Cb 0.93 1.23 0.11 0.00 -1.52 0.00 0.00 31.29 32.05 7ice h VAL 29 CO 0.06 0.17 0.25 -1.20 0.02 0.00 0.00 177.57 176.86 7ice n SER 30 N -4.52 0.40 -0.32 0.57 7.64 -0.98 -4.96 113.62 111.44 7ice n SER 30 Ca -0.21 -1.54 0.08 0.00 1.01 0.00 0.00 58.87 58.22 7ice n SER 30 Cb 0.49 -0.69 -0.02 0.00 -1.01 0.00 0.00 64.21 62.98 7ice n SER 30 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 7ice n GLN 31 N -2.92 1.60 0.00 1.43 7.27 -1.18 -4.35 117.38 119.23 7ice n GLN 31 Ca 0.13 -0.70 0.00 0.00 0.07 0.00 0.00 57.00 56.50 7ice n GLN 31 Cb 0.45 -1.30 0.00 0.00 2.41 0.00 0.00 30.24 31.79 7ice n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 7ice n ALA 32 N -0.32 0.00 -0.30 1.69 0.00 -0.86 -4.68 120.51 116.03 7ice n ALA 32 Ca 0.06 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.72 7ice n ALA 32 Cb 0.34 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.31 7ice n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 7ice h ILE 33 N 0.46 0.56 0.51 0.00 6.09 -1.90 2.29 117.51 125.53 7ice h ILE 33 Ca 0.00 -0.13 -0.03 0.00 -1.37 0.00 0.00 64.86 63.33 7ice h ILE 33 Cb 0.00 0.14 0.01 0.00 0.47 0.00 0.00 36.82 37.43 7ice h ILE 33 CO 0.00 0.07 -0.25 0.45 -3.07 0.00 0.00 178.15 175.36 7ice h HIS 34 N 0.39 -0.64 -0.42 2.19 3.86 -1.98 -0.25 115.15 118.31 7ice h HIS 34 Ca 0.56 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.81 7ice h HIS 34 Cb 1.43 0.21 -0.05 0.00 1.06 0.00 0.00 27.41 30.07 7ice h HIS 34 CO -0.00 -0.32 0.14 0.87 0.86 0.00 0.00 177.93 179.48 7ice h LYS 35 N -0.94 0.29 -0.18 2.45 1.57 -1.71 0.59 116.57 118.64 7ice h LYS 35 Ca -0.07 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 7ice h LYS 35 Cb 0.61 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 7ice h LYS 35 CO 0.12 0.19 -0.06 -0.92 -0.57 0.00 0.00 179.45 178.21 7ice h TYR 36 N 0.30 -0.13 0.00 -1.35 3.20 0.38 0.29 116.97 119.65 7ice h TYR 36 Ca 0.20 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 7ice h TYR 36 Cb 0.20 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 7ice h TYR 36 CO -0.16 -0.10 -0.11 -0.97 -1.64 0.00 0.00 178.16 175.18 7ice h ASN 37 N -0.02 0.00 0.52 -2.11 -0.00 0.13 -2.73 115.58 111.37 7ice h ASN 37 Ca 0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.37 7ice h ASN 37 Cb 0.16 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.49 7ice h ASN 37 CO -0.20 0.11 -0.25 0.00 -0.00 0.00 0.00 177.43 177.09 7ice h ALA 38 N 1.89 -0.69 -0.89 1.57 0.00 0.38 -2.74 119.26 118.77 7ice h ALA 38 Ca -0.00 -0.15 0.22 0.00 0.00 0.00 0.00 54.91 54.97 7ice h ALA 38 Cb 0.20 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 7ice h ALA 38 CO 0.01 -0.88 0.60 1.88 0.00 0.00 0.00 179.25 180.86 7ice h TYR 39 N -0.70 0.41 -0.16 0.00 0.05 -1.00 -2.75 116.97 112.82 7ice h TYR 39 Ca -0.07 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 7ice h TYR 39 Cb 0.53 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 7ice h TYR 39 CO -0.04 0.10 0.05 0.07 -1.05 0.00 0.00 178.16 177.30 7ice h ARG 40 N 0.31 0.25 -0.41 4.88 0.11 -1.33 0.01 114.38 118.19 7ice h ARG 40 Ca 0.46 -0.05 -0.12 0.00 0.10 0.00 0.00 59.98 60.37 7ice h ARG 40 Cb 1.29 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 7ice h ARG 40 CO -0.14 0.37 -0.19 1.57 0.10 0.00 0.00 179.97 181.68 7ice h LYS 41 N 0.08 0.86 -0.33 0.08 -0.00 -1.35 -0.80 116.57 115.10 7ice h LYS 41 Ca 0.05 -0.37 0.07 0.00 -0.00 0.00 0.00 60.65 60.40 7ice h LYS 41 Cb 0.23 -0.03 -0.08 0.00 -0.00 0.00 0.00 32.23 32.35 7ice h LYS 41 CO -0.00 1.01 -0.29 0.00 -0.00 0.00 0.00 179.45 180.17 7ice h ALA 42 N 0.82 -0.16 -0.68 0.07 0.00 -1.48 0.63 119.26 118.46 7ice h ALA 42 Ca 0.09 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 7ice h ALA 42 Cb 0.75 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 7ice h ALA 42 CO 0.06 -0.70 0.37 0.00 0.00 0.00 0.00 179.25 178.98 7ice h ALA 43 N 0.77 1.37 -0.37 0.00 0.00 -0.82 -1.09 119.26 119.12 7ice h ALA 43 Ca 0.16 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.98 7ice h ALA 43 Cb 0.51 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 7ice h ALA 43 CO -0.48 0.52 0.22 1.03 0.00 0.00 0.00 179.25 180.54 7ice h SER 44 N 0.95 0.35 -0.09 0.00 0.87 0.15 -0.68 113.55 115.10 7ice h SER 44 Ca 0.24 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.75 7ice h SER 44 Cb 0.03 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 7ice h SER 44 CO -0.04 0.25 -0.14 -0.37 -0.53 0.00 0.00 176.83 176.00 7ice h VAL 45 N 0.44 1.39 -0.11 2.23 -1.51 0.46 -2.48 116.25 116.66 7ice h VAL 45 Ca 0.15 -1.38 -0.02 0.00 -1.23 0.00 0.00 66.70 64.22 7ice h VAL 45 Cb 0.00 2.08 -0.01 0.00 -2.13 0.00 0.00 31.29 31.23 7ice h VAL 45 CO -0.07 0.39 -0.01 0.16 -1.23 0.00 0.00 177.57 176.82 7ice h ILE 46 N -0.18 1.08 -0.23 7.19 3.07 -1.22 -0.26 117.51 126.96 7ice h ILE 46 Ca 0.01 -0.31 -0.01 0.00 1.55 0.00 0.00 64.86 66.09 7ice h ILE 46 Cb 0.70 1.01 -0.01 0.00 -0.27 0.00 0.00 36.82 38.24 7ice h ILE 46 CO 0.03 0.10 0.08 0.00 -1.05 0.00 0.00 178.15 177.31 7ice h ALA 47 N 1.84 1.72 0.12 0.16 0.00 -0.96 -2.55 119.26 119.59 7ice h ALA 47 Ca 0.04 -0.08 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 7ice h ALA 47 Cb 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 7ice h ALA 47 CO 0.00 0.23 -1.39 0.87 0.00 0.00 0.00 179.25 178.96 7ice h LYS 48 N 0.32 0.26 -6.21 0.00 1.57 -0.61 -3.39 116.57 108.52 7ice h LYS 48 Ca 0.08 -0.45 -0.68 0.00 -1.87 0.00 0.00 60.65 57.73 7ice h LYS 48 Cb 0.09 0.17 0.02 0.00 0.08 0.00 0.00 32.23 32.58 7ice h LYS 48 CO -0.01 1.17 1.01 0.98 -0.57 0.00 0.00 179.45 182.03 7ice n TYR 49 N -3.49 2.20 0.00 -1.35 9.36 -0.76 -4.90 117.16 118.22 7ice n TYR 49 Ca -0.12 0.26 0.00 0.00 3.32 0.00 0.00 57.90 61.35 7ice n TYR 49 Cb 1.04 -2.57 0.00 0.00 -0.63 0.00 0.00 39.34 37.18 7ice n TYR 49 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 7ice n PRO 50 N 6.06 0.00 -3.96 2.98 -0.04 -1.26 -4.88 135.00 133.91 7ice n PRO 50 Ca 0.25 0.39 -0.20 0.00 -0.04 0.00 0.00 63.50 63.89 7ice n PRO 50 Cb 0.21 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.10 7ice n PRO 50 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 7ice n HIS 51 N -1.39 -0.06 -3.18 0.54 8.25 -1.26 -5.08 115.22 113.04 7ice n HIS 51 Ca 0.00 -2.21 -0.41 0.00 -0.26 0.00 0.00 57.72 54.84 7ice n HIS 51 Cb 0.01 0.05 -0.07 0.00 1.12 0.00 0.00 29.99 31.10 7ice n HIS 51 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 7ice s LYS 52 N -3.25 3.84 -0.27 -0.41 1.02 -1.26 -4.80 119.74 114.61 7ice s LYS 52 Ca 0.21 0.15 -0.29 0.00 0.02 0.00 0.00 55.97 56.06 7ice s LYS 52 Cb 0.01 -3.74 -0.02 0.00 -0.52 0.00 0.00 37.83 33.56 7ice s LYS 52 CO 0.15 -0.55 1.75 0.42 -0.92 0.00 0.00 175.35 176.19 7ice s ILE 53 N 2.49 3.52 -2.56 2.17 1.01 -1.26 -4.78 121.20 121.79 7ice s ILE 53 Ca 0.22 0.56 0.26 0.00 0.00 0.00 0.00 60.65 61.70 7ice s ILE 53 Cb -0.15 -3.62 0.40 0.00 0.01 0.00 0.00 42.46 39.10 7ice s ILE 53 CO 0.12 -0.34 1.56 0.29 0.00 0.00 0.00 174.94 176.58 7ice n LYS 54 N 8.12 1.77 -3.57 2.79 4.01 -1.26 -4.98 118.16 125.03 7ice n LYS 54 Ca 0.21 -1.20 -0.05 0.00 -0.51 0.00 0.00 58.31 56.76 7ice n LYS 54 Cb 0.46 -1.48 -0.02 0.00 -0.51 0.00 0.00 35.03 33.49 7ice n LYS 54 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 7ice s SER 55 N -2.06 -0.22 0.08 4.39 1.04 -1.26 -5.02 113.70 110.65 7ice s SER 55 Ca 0.33 -0.04 -0.33 0.00 0.48 0.00 0.00 55.95 56.39 7ice s SER 55 Cb 0.20 0.26 -0.16 0.00 0.10 0.00 0.00 66.02 66.42 7ice s SER 55 CO 0.35 -0.43 1.60 1.23 0.98 0.00 0.00 173.24 176.97 7ice h GLY 56 N 2.00 -1.01 -0.72 7.32 0.00 -1.86 -2.20 103.07 106.59 7ice h GLY 56 Ca -0.17 0.44 0.37 0.00 0.00 0.00 0.00 47.33 47.98 7ice h GLY 56 CO 0.27 -0.35 0.83 0.00 0.00 0.00 0.00 176.54 177.29 7ice h ALA 57 N -0.58 2.72 -0.27 3.60 0.00 -1.96 0.90 119.26 123.67 7ice h ALA 57 Ca -0.06 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 7ice h ALA 57 Cb 0.76 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 7ice h ALA 57 CO 0.02 -1.22 -0.55 1.49 0.00 0.00 0.00 179.25 178.99 7ice h GLU 58 N 0.17 0.82 -0.29 0.00 4.81 -1.87 -3.07 114.58 115.15 7ice h GLU 58 Ca 0.71 -0.52 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 7ice h GLU 58 Cb 2.26 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 31.69 7ice h GLU 58 CO -0.28 1.15 -0.02 0.00 -0.73 0.00 0.00 179.01 179.13 7ice h ALA 59 N 0.74 0.39 -1.02 2.92 0.00 0.13 -3.02 119.26 119.41 7ice h ALA 59 Ca 0.01 -0.25 0.33 0.00 0.00 0.00 0.00 54.91 55.01 7ice h ALA 59 Cb 1.14 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.68 7ice h ALA 59 CO 0.12 0.16 0.59 -0.22 0.00 0.00 0.00 179.25 179.89 7ice h LYS 60 N 0.30 0.28 -0.19 0.00 3.64 -0.95 1.31 116.57 120.96 7ice h LYS 60 Ca 0.08 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 7ice h LYS 60 Cb 0.47 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 7ice h LYS 60 CO 0.02 0.19 0.40 0.87 -2.27 0.00 0.00 179.45 178.66 7ice h LYS 61 N 0.29 0.00 -7.09 1.90 1.57 -1.43 -3.41 116.57 108.40 7ice h LYS 61 Ca 0.74 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 59.04 7ice h LYS 61 Cb 1.76 0.00 0.05 0.00 0.08 0.00 0.00 32.23 34.12 7ice h LYS 61 CO -0.60 0.00 0.19 -1.17 -0.57 0.00 0.00 179.45 177.30 7ice s LEU 62 N -6.51 3.37 0.34 2.94 2.96 0.45 -5.03 118.68 117.20 7ice s LEU 62 Ca -0.04 0.89 -0.25 0.00 -0.22 0.00 0.00 54.13 54.51 7ice s LEU 62 Cb 0.12 -3.79 -0.10 0.00 0.50 0.00 0.00 46.19 42.92 7ice s LEU 62 CO 0.39 -0.87 0.94 -2.16 -1.32 0.00 0.00 176.35 173.34 7ice s PRO 63 N -4.93 4.53 0.00 0.98 0.04 -1.26 -2.86 135.00 131.50 7ice s PRO 63 Ca 0.52 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.85 7ice s PRO 63 Cb -0.10 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.72 7ice s PRO 63 CO 0.46 0.24 0.00 0.41 0.04 0.00 0.00 177.00 178.15 7ice n GLY 64 N 0.40 3.25 3.47 0.56 0.00 -1.26 -4.80 105.19 106.81 7ice n GLY 64 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 7ice n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 7ice s VAL 65 N -2.02 4.79 0.08 1.61 0.11 -1.14 -4.67 120.40 119.17 7ice s VAL 65 Ca 0.00 -0.29 0.01 0.00 -2.93 0.00 0.00 61.98 58.77 7ice s VAL 65 Cb 0.00 -4.33 0.01 0.00 -1.53 0.00 0.00 36.38 30.53 7ice s VAL 65 CO 0.00 -0.83 0.09 0.61 -3.33 0.00 0.00 175.10 171.64 7ice n GLY 66 N 5.15 2.44 0.13 6.54 0.00 -1.26 -4.64 105.19 113.55 7ice n GLY 66 Ca -0.05 -2.16 -0.11 0.00 0.00 0.00 0.00 46.02 43.70 7ice n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 7ice h THR 67 N 0.25 1.22 -0.30 2.61 1.03 -1.95 -2.25 112.91 113.52 7ice h THR 67 Ca -0.04 -0.72 0.03 0.00 -0.01 0.00 0.00 66.41 65.66 7ice h THR 67 Cb 0.18 1.27 -0.03 0.00 -1.07 0.00 0.00 68.15 68.50 7ice h THR 67 CO 0.07 0.23 0.12 0.11 -0.01 0.00 0.00 175.52 176.03 7ice h LYS 68 N 0.17 0.25 -0.40 0.00 1.57 -1.99 0.90 116.57 117.06 7ice h LYS 68 Ca 0.07 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 7ice h LYS 68 Cb 0.30 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 7ice h LYS 68 CO 0.00 0.17 -0.01 0.82 -0.57 0.00 0.00 179.45 179.86 7ice h ILE 69 N 0.26 1.26 -0.84 1.86 2.04 -1.95 -1.84 117.51 118.30 7ice h ILE 69 Ca 0.13 -1.03 0.09 0.00 1.00 0.00 0.00 64.86 65.05 7ice h ILE 69 Cb 0.08 1.13 -0.07 0.00 -0.74 0.00 0.00 36.82 37.21 7ice h ILE 69 CO -0.12 0.35 0.49 0.00 0.00 0.00 0.00 178.15 178.87 7ice h ALA 70 N 0.88 1.20 -0.63 1.87 0.00 -0.93 0.26 119.26 121.91 7ice h ALA 70 Ca 0.11 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.06 7ice h ALA 70 Cb 0.49 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 7ice h ALA 70 CO 0.02 0.13 0.41 1.49 0.00 0.00 0.00 179.25 181.30 7ice h GLU 71 N 0.83 0.81 -0.28 0.00 4.81 -0.34 -0.85 114.58 119.56 7ice h GLU 71 Ca 0.40 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 7ice h GLU 71 Cb 0.35 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 7ice h GLU 71 CO -0.24 0.54 0.14 0.87 -0.73 0.00 0.00 179.01 179.59 7ice h LYS 72 N 0.84 0.40 -1.01 1.92 1.57 -0.23 -2.11 116.57 117.96 7ice h LYS 72 Ca 0.23 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 7ice h LYS 72 Cb -0.08 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.09 7ice h LYS 72 CO -0.06 0.38 0.66 0.82 -0.57 0.00 0.00 179.45 180.68 7ice h ILE 73 N 0.33 1.15 0.65 1.86 2.04 -0.13 -1.47 117.51 121.93 7ice h ILE 73 Ca 0.10 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 7ice h ILE 73 Cb 0.10 -0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 35.96 7ice h ILE 73 CO -0.01 0.23 -0.49 0.44 0.00 0.00 0.00 178.15 178.31 7ice h ASP 74 N 1.25 -1.29 -0.83 1.72 3.32 -0.55 0.17 116.42 120.20 7ice h ASP 74 Ca 0.41 0.09 0.17 0.00 0.02 0.00 0.00 57.03 57.72 7ice h ASP 74 Cb 0.05 0.40 -0.06 0.00 0.22 0.00 0.00 39.33 39.94 7ice h ASP 74 CO -0.14 -0.70 0.55 -0.08 -1.72 0.00 0.00 179.24 177.15 7ice h GLU 75 N -1.09 0.45 -0.02 3.56 4.81 -1.15 1.39 114.58 122.52 7ice h GLU 75 Ca -0.08 -0.03 -0.26 0.00 -0.13 0.00 0.00 59.36 58.86 7ice h GLU 75 Cb 0.91 -0.10 0.02 0.00 0.63 0.00 0.00 28.75 30.21 7ice h GLU 75 CO 0.03 0.30 -0.99 0.35 -0.73 0.00 0.00 179.01 177.96 7ice h PHE 76 N 0.46 1.05 -0.08 0.92 3.04 -0.92 -0.65 116.94 120.75 7ice h PHE 76 Ca 0.42 -0.55 -0.02 0.00 3.98 0.00 0.00 57.97 61.80 7ice h PHE 76 Cb 0.94 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 39.33 7ice h PHE 76 CO -0.00 1.39 -0.01 -0.07 -2.02 0.00 0.00 178.31 177.60 7ice h LEU 77 N 0.41 0.16 -0.55 0.59 4.07 0.17 -3.10 115.31 117.05 7ice h LEU 77 Ca -0.12 -0.34 0.11 0.00 0.08 0.00 0.00 57.88 57.61 7ice h LEU 77 Cb 1.65 -0.04 -0.10 0.00 1.08 0.00 0.00 40.66 43.24 7ice h LEU 77 CO 0.20 0.46 -0.10 0.00 -1.08 0.00 0.00 178.44 177.91 7ice h ALA 78 N 0.70 0.41 -3.99 1.53 0.00 0.18 -3.42 119.26 114.66 7ice h ALA 78 Ca 0.02 0.20 -0.39 0.00 0.00 0.00 0.00 54.91 54.74 7ice h ALA 78 Cb 0.39 0.39 -0.28 0.00 0.00 0.00 0.00 17.79 18.28 7ice h ALA 78 CO 0.01 -0.43 -0.78 0.95 0.00 0.00 0.00 179.25 179.00 7ice s THR 79 N -6.21 0.74 -0.68 0.00 -4.23 -0.26 -5.03 115.64 99.98 7ice s THR 79 Ca -0.14 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 7ice s THR 79 Cb 0.18 -0.63 0.00 0.00 1.34 0.00 0.00 72.50 73.38 7ice s THR 79 CO 0.73 0.17 0.02 0.61 -0.54 0.00 0.00 174.62 175.61 7ice n GLY 80 N 2.73 0.00 2.94 3.99 0.00 -1.25 -4.16 105.19 109.44 7ice n GLY 80 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 7ice n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 7ice n LYS 81 N -0.24 0.74 -4.36 1.61 4.76 -1.26 -5.06 118.16 114.35 7ice n LYS 81 Ca 0.00 -2.13 -0.25 0.00 -2.87 0.00 0.00 58.31 53.06 7ice n LYS 81 Cb 0.00 2.28 -0.17 0.00 -1.84 0.00 0.00 35.03 35.30 7ice n LYS 81 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 7ice s LEU 82 N 0.00 1.51 0.17 -0.35 2.96 -1.26 -3.85 118.68 117.86 7ice s LEU 82 Ca 0.20 -0.30 -0.14 0.00 -0.22 0.00 0.00 54.13 53.66 7ice s LEU 82 Cb -0.02 -0.84 0.06 0.00 0.50 0.00 0.00 46.19 45.89 7ice s LEU 82 CO 0.14 -0.02 1.83 -0.09 -1.32 0.00 0.00 176.35 176.89 7ice h ARG 83 N 7.36 0.70 -0.61 1.98 2.43 -1.98 0.21 114.38 124.47 7ice h ARG 83 Ca -0.31 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 58.82 7ice h ARG 83 Cb 1.17 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 7ice h ARG 83 CO 0.46 0.48 0.40 -0.22 -1.51 0.00 0.00 179.97 179.58 7ice h LYS 84 N 0.71 0.80 -0.68 0.20 3.64 -1.98 1.10 116.57 120.37 7ice h LYS 84 Ca 0.19 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 7ice h LYS 84 Cb -0.06 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.55 7ice h LYS 84 CO -0.04 0.53 0.33 1.25 -2.27 0.00 0.00 179.45 179.25 7ice h LEU 85 N 0.83 0.88 -0.29 5.20 5.85 -1.94 0.21 115.31 126.04 7ice h LEU 85 Ca 0.22 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 7ice h LEU 85 Cb -0.09 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 7ice h LEU 85 CO -0.05 0.74 -0.21 1.05 -0.34 0.00 0.00 178.44 179.63 7ice h GLU 86 N 0.97 0.65 -0.59 1.25 4.11 0.12 -2.43 114.58 118.66 7ice h GLU 86 Ca 0.24 -0.32 -0.00 0.00 0.07 0.00 0.00 59.36 59.35 7ice h GLU 86 Cb 0.10 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 7ice h GLU 86 CO -0.03 0.91 0.36 -0.22 0.07 0.00 0.00 179.01 180.10 7ice h LYS 87 N 0.39 0.81 -0.48 1.06 3.64 0.16 -3.19 116.57 118.96 7ice h LYS 87 Ca 0.05 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 7ice h LYS 87 Cb 0.76 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 7ice h LYS 87 CO 0.06 0.58 0.10 0.82 -2.27 0.00 0.00 179.45 178.74 7ice h ILE 88 N 0.80 1.24 0.00 2.00 2.04 -0.94 -3.02 117.51 119.63 7ice h ILE 88 Ca 0.21 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.21 7ice h ILE 88 Cb -0.02 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 7ice h ILE 88 CO -0.04 0.31 0.00 0.03 0.00 0.00 0.00 178.15 178.45 7ice h ARG 89 N 0.65 0.00 0.00 2.37 3.08 -1.45 -3.22 114.38 115.81 7ice h ARG 89 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 7ice h ARG 89 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 7ice h ARG 89 CO 0.00 0.00 -0.04 1.96 -1.07 0.00 0.00 179.97 180.83 7ice h GLN 90 N 0.00 0.00 -2.28 0.04 4.20 -1.53 -3.48 115.11 112.06 7ice h GLN 90 Ca 0.00 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 7ice h GLN 90 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 7ice h GLN 90 CO 0.00 0.00 0.30 -3.47 -0.67 0.00 0.00 178.83 174.99 7ice n ASP 91 N -2.82 0.43 0.14 1.46 2.03 -1.15 -4.83 116.55 111.83 7ice n ASP 91 Ca -0.01 0.42 -0.14 0.00 0.52 0.00 0.00 54.79 55.59 7ice n ASP 91 Cb 0.02 -0.34 -0.08 0.00 -0.72 0.00 0.00 41.12 40.00 7ice n ASP 91 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 7ice h ASP 92 N 2.12 -0.26 -1.00 1.67 2.03 -1.92 -1.75 116.42 117.31 7ice h ASP 92 Ca -0.15 -0.06 0.21 0.00 -0.73 0.00 0.00 57.03 56.30 7ice h ASP 92 Cb 0.52 0.07 -0.11 0.00 -0.83 0.00 0.00 39.33 38.98 7ice h ASP 92 CO 0.38 -0.11 0.59 0.74 -1.03 0.00 0.00 179.24 179.81 7ice h THR 93 N -0.40 0.65 0.08 1.15 2.02 -1.96 0.23 112.91 114.67 7ice h THR 93 Ca -0.03 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 7ice h THR 93 Cb 0.30 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 7ice h THR 93 CO 0.05 0.13 -0.04 -1.28 0.37 0.00 0.00 175.52 174.75 7ice h SER 94 N 0.69 -0.09 -0.94 4.18 0.87 -1.83 -2.98 113.55 113.45 7ice h SER 94 Ca 0.60 -0.23 0.12 0.00 -1.23 0.00 0.00 61.79 61.04 7ice h SER 94 Cb 0.99 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 62.90 7ice h SER 94 CO -0.42 0.18 0.57 0.28 -0.53 0.00 0.00 176.83 176.92 7ice h SER 95 N -0.37 0.83 -0.82 6.23 0.02 -0.04 -2.00 113.55 117.40 7ice h SER 95 Ca -0.01 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 7ice h SER 95 Cb 0.31 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 7ice h SER 95 CO 0.02 0.44 0.53 0.28 -1.14 0.00 0.00 176.83 176.96 7ice h SER 96 N 0.91 0.88 -0.68 3.07 0.02 -0.56 -1.76 113.55 115.43 7ice h SER 96 Ca 0.47 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.33 7ice h SER 96 Cb 0.47 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 7ice h SER 96 CO -0.27 0.61 0.12 0.40 -1.14 0.00 0.00 176.83 176.56 7ice h ILE 97 N 1.04 1.26 0.00 3.27 2.04 -1.23 0.27 117.51 124.17 7ice h ILE 97 Ca 0.32 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 65.15 7ice h ILE 97 Cb -0.02 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 7ice h ILE 97 CO -0.10 0.39 0.00 0.78 0.00 0.00 0.00 178.15 179.21 7ice h ASN 98 N 1.05 0.00 0.00 1.72 4.21 -0.97 -2.88 115.58 118.71 7ice h ASN 98 Ca 0.21 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.68 7ice h ASN 98 Cb 0.43 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.62 7ice h ASN 98 CO 0.01 0.00 -0.50 0.15 -1.29 0.00 0.00 177.43 175.81 7ice h PHE 99 N 0.00 0.00 -0.96 1.19 3.57 -0.49 -3.37 116.94 116.89 7ice h PHE 99 Ca 0.00 0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.70 7ice h PHE 99 Cb 0.33 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.99 7ice h PHE 99 CO 0.00 0.27 0.61 -0.07 -2.23 0.00 0.00 178.31 176.90 7ice h LEU 100 N -1.00 0.56 -2.74 0.59 4.07 -0.52 0.32 115.31 116.60 7ice h LEU 100 Ca -0.05 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.98 7ice h LEU 100 Cb 0.55 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.25 7ice h LEU 100 CO -0.03 0.21 0.04 0.74 -1.08 0.00 0.00 178.44 178.31 7ice h THR 101 N 0.55 0.17 0.00 0.22 2.02 -1.70 0.11 112.91 114.27 7ice h THR 101 Ca 0.52 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.70 7ice h THR 101 Cb 1.09 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 7ice h THR 101 CO -0.26 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.17 7ice n ARG 102 N -3.31 0.07 -2.66 6.66 1.74 0.11 -4.64 116.66 114.64 7ice n ARG 102 Ca -0.03 0.18 -0.42 0.00 -0.77 0.00 0.00 57.85 56.82 7ice n ARG 102 Cb 0.11 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 7ice n ARG 102 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 7ice s VAL 103 N -2.88 4.69 -0.35 1.55 1.01 0.36 -4.94 120.40 119.84 7ice s VAL 103 Ca 0.11 1.95 -0.28 0.00 0.00 0.00 0.00 61.98 63.75 7ice s VAL 103 Cb 0.11 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 7ice s VAL 103 CO 0.30 0.16 1.72 -0.55 0.00 0.00 0.00 175.10 176.73 7ice s SER 104 N 0.96 5.98 0.00 3.32 0.15 -1.26 -1.23 113.70 121.62 7ice s SER 104 Ca 0.53 1.19 0.00 0.00 0.70 0.00 0.00 55.95 58.37 7ice s SER 104 Cb -0.23 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 7ice s SER 104 CO 0.28 -1.66 0.00 0.61 1.20 0.00 0.00 173.24 173.67 7ice n GLY 105 N 5.35 1.43 3.37 9.45 0.00 -1.26 -4.01 105.19 119.52 7ice n GLY 105 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 7ice n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 7ice s ILE 106 N -1.77 3.61 0.00 -0.61 1.01 -0.36 -4.72 121.20 118.36 7ice s ILE 106 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.23 7ice s ILE 106 Cb 0.00 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.84 7ice s ILE 106 CO 0.00 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.98 7ice n GLY 107 N 4.52 2.52 0.26 6.18 0.00 -1.26 -4.49 105.19 112.92 7ice n GLY 107 Ca -0.18 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.61 7ice n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 7ice h PRO 108 N 0.00 0.93 -0.11 1.61 0.10 -1.94 -1.37 132.00 131.21 7ice h PRO 108 Ca 0.00 -0.45 0.04 0.00 0.10 0.00 0.00 66.00 65.70 7ice h PRO 108 Cb 0.00 -0.00 -0.06 0.00 0.10 0.00 0.00 31.00 31.03 7ice h PRO 108 CO 0.00 1.10 -0.38 1.03 0.10 0.00 0.00 178.00 179.85 7ice h SER 109 N 0.75 -1.20 -0.60 -2.05 0.87 -1.95 0.65 113.55 110.02 7ice h SER 109 Ca 0.08 0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.74 7ice h SER 109 Cb 0.88 0.49 -0.02 0.00 -0.44 0.00 0.00 62.40 63.31 7ice h SER 109 CO 0.08 -0.41 0.14 0.00 -0.53 0.00 0.00 176.83 176.12 7ice h ALA 110 N 0.21 0.79 -0.61 6.23 0.00 -1.94 -1.88 119.26 122.06 7ice h ALA 110 Ca 0.08 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.87 7ice h ALA 110 Cb 0.60 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 7ice h ALA 110 CO -0.37 0.50 0.15 0.00 0.00 0.00 0.00 179.25 179.53 7ice h ALA 111 N 1.04 0.73 0.18 0.00 0.00 0.00 -0.34 119.26 120.87 7ice h ALA 111 Ca 0.19 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 7ice h ALA 111 Cb 0.35 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 7ice h ALA 111 CO 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 179.25 178.87 7ice h ARG 112 N 0.28 -0.25 -0.38 0.00 3.08 0.76 -2.44 114.38 115.43 7ice h ARG 112 Ca 0.32 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.45 7ice h ARG 112 Cb 0.47 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.49 7ice h ARG 112 CO -0.39 -0.17 -0.42 -0.22 -1.07 0.00 0.00 179.97 177.71 7ice h LYS 113 N -0.26 -0.32 -0.88 0.04 3.64 -0.34 -1.24 116.57 117.21 7ice h LYS 113 Ca -0.02 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 7ice h LYS 113 Cb 0.21 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 7ice h LYS 113 CO 0.03 -0.21 0.57 0.74 -2.27 0.00 0.00 179.45 178.30 7ice h PHE 114 N -0.33 0.92 -0.20 1.91 0.04 -1.10 -1.77 116.94 116.41 7ice h PHE 114 Ca 0.14 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.81 7ice h PHE 114 Cb 0.58 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 7ice h PHE 114 CO -0.60 0.42 -0.38 0.28 -0.60 0.00 0.00 178.31 177.43 7ice h VAL 115 N 0.85 1.30 0.00 -0.55 2.07 -0.75 0.35 116.25 119.52 7ice h VAL 115 Ca 0.41 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.43 7ice h VAL 115 Cb 0.43 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 7ice h VAL 115 CO -0.17 0.47 0.00 0.47 0.02 0.00 0.00 177.57 178.35 7ice n ASP 116 N -4.04 0.00 -0.75 0.57 8.00 -0.71 -0.53 116.55 119.09 7ice n ASP 116 Ca -0.01 -0.05 0.08 0.00 0.71 0.00 0.00 54.79 55.51 7ice n ASP 116 Cb 0.48 -0.29 0.14 0.00 -0.02 0.00 0.00 41.12 41.43 7ice n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 7ice n GLU 117 N -1.29 2.00 -0.05 -1.24 1.02 0.22 -4.96 120.64 116.34 7ice n GLU 117 Ca 0.11 -1.85 0.00 0.00 -0.02 0.00 0.00 57.16 55.41 7ice n GLU 117 Cb 0.19 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 7ice n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 7ice n GLY 118 N 0.88 0.63 3.70 0.62 0.00 0.31 -5.04 105.19 106.30 7ice n GLY 118 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 7ice n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 7ice s ILE 119 N -2.27 4.85 0.00 -0.61 1.01 1.00 -4.78 121.20 120.39 7ice s ILE 119 Ca 0.00 1.99 0.00 0.00 0.00 0.00 0.00 60.65 62.64 7ice s ILE 119 Cb 0.00 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.18 7ice s ILE 119 CO 0.00 0.09 0.00 0.29 0.00 0.00 0.00 174.94 175.32 7ice n LYS 120 N 4.42 0.00 -4.12 2.79 5.02 -1.26 -3.21 118.16 121.81 7ice n LYS 120 Ca 0.07 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.25 7ice n LYS 120 Cb 0.50 -0.37 -0.08 0.00 -0.02 0.00 0.00 35.03 35.06 7ice n LYS 120 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 7ice s THR 121 N 0.00 0.00 0.18 -0.18 -4.23 -1.26 -4.81 115.64 105.34 7ice s THR 121 Ca 0.00 -1.76 -0.15 0.00 -1.18 0.00 0.00 61.69 58.61 7ice s THR 121 Cb 0.00 -2.38 0.10 0.00 1.34 0.00 0.00 72.50 71.56 7ice s THR 121 CO 0.00 0.00 1.69 -0.07 -0.54 0.00 0.00 174.62 175.70 7ice h LEU 122 N 2.47 -0.16 -0.14 4.79 3.38 -1.99 0.60 115.31 124.25 7ice h LEU 122 Ca -0.32 0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.78 7ice h LEU 122 Cb 1.25 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 7ice h LEU 122 CO 0.46 -0.05 -0.05 -0.33 0.09 0.00 0.00 178.44 178.56 7ice h GLU 123 N 0.12 -0.02 -0.44 1.13 5.08 -1.99 -0.08 114.58 118.38 7ice h GLU 123 Ca 0.22 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.67 7ice h GLU 123 Cb 0.32 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.48 7ice h GLU 123 CO -0.36 -0.02 -0.31 -0.44 -1.00 0.00 0.00 179.01 176.88 7ice h ASP 124 N -0.03 -1.03 -0.29 1.42 3.32 -1.61 0.93 116.42 119.13 7ice h ASP 124 Ca 0.07 0.19 0.06 0.00 0.02 0.00 0.00 57.03 57.38 7ice h ASP 124 Cb 0.13 0.50 -0.06 0.00 0.22 0.00 0.00 39.33 40.12 7ice h ASP 124 CO -0.16 -0.31 -0.09 -0.07 -1.72 0.00 0.00 179.24 176.89 7ice h LEU 125 N -0.22 -0.33 -0.64 1.55 3.38 -0.56 0.98 115.31 119.47 7ice h LEU 125 Ca 0.19 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.35 7ice h LEU 125 Cb 0.53 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 7ice h LEU 125 CO -0.56 -0.12 0.27 0.03 0.09 0.00 0.00 178.44 178.15 7ice h ARG 126 N -0.03 0.46 -0.16 1.13 3.08 0.10 0.18 114.38 119.15 7ice h ARG 126 Ca 0.14 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 7ice h ARG 126 Cb 0.25 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 7ice h ARG 126 CO -0.32 0.30 0.03 0.87 -1.07 0.00 0.00 179.97 179.79 7ice h LYS 127 N 0.47 0.22 -1.09 0.04 1.79 -0.14 -2.64 116.57 115.22 7ice h LYS 127 Ca 0.32 -0.02 -0.63 0.00 -2.18 0.00 0.00 60.65 58.14 7ice h LYS 127 Cb 0.38 -0.04 -0.36 0.00 -1.58 0.00 0.00 32.23 30.63 7ice h LYS 127 CO -0.29 0.21 0.07 0.09 -1.08 0.00 0.00 179.45 178.45 7ice n ASN 128 N -4.44 6.29 0.30 0.86 3.02 0.56 -4.62 115.26 117.23 7ice n ASN 128 Ca -0.01 -3.77 0.18 0.00 -0.03 0.00 0.00 54.58 50.95 7ice n ASN 128 Cb 0.14 -0.69 0.97 0.00 -0.61 0.00 0.00 39.78 39.59 7ice n ASN 128 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 7ice h GLU 129 N 2.26 0.00 -0.60 3.52 4.81 -1.00 -0.47 114.58 123.11 7ice h GLU 129 Ca 0.48 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.67 7ice h GLU 129 Cb 1.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 7ice h GLU 129 CO 1.17 0.00 0.20 0.38 -0.73 0.00 0.00 179.01 180.03 7ice h ASP 130 N 0.00 0.82 0.74 1.04 2.03 -1.87 -2.72 116.42 116.46 7ice h ASP 130 Ca 0.00 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.17 7ice h ASP 130 Cb 0.18 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.47 7ice h ASP 130 CO 0.00 0.76 0.00 0.29 -1.03 0.00 0.00 179.24 179.26 7ice n LYS 131 N -4.30 0.04 -3.63 4.15 5.02 -0.19 -4.81 118.16 114.45 7ice n LYS 131 Ca 0.05 0.20 -0.26 0.00 -2.02 0.00 0.00 58.31 56.27 7ice n LYS 131 Cb 0.20 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 7ice n LYS 131 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 7ice s LEU 132 N -3.29 4.18 0.52 -0.35 1.43 -1.03 -5.11 118.68 115.03 7ice s LEU 132 Ca 0.09 0.40 0.05 0.00 -1.03 0.00 0.00 54.13 53.64 7ice s LEU 132 Cb 0.12 -3.19 0.04 0.00 0.03 0.00 0.00 46.19 43.19 7ice s LEU 132 CO 0.38 -0.10 0.71 0.54 0.23 0.00 0.00 176.35 178.11 7ice s ASN 133 N -3.40 5.32 0.10 2.29 4.22 -1.26 -4.83 114.94 117.38 7ice s ASN 133 Ca 0.39 -0.32 -0.22 0.00 -2.14 0.00 0.00 52.86 50.57 7ice s ASN 133 Cb -0.11 -0.56 -0.06 0.00 1.28 0.00 0.00 41.25 41.81 7ice s ASN 133 CO 0.30 -1.08 1.37 -0.74 -2.04 0.00 0.00 177.10 174.92 7ice h HIS 134 N 0.26 -1.23 -0.32 1.54 -0.00 -1.98 0.37 115.15 113.80 7ice h HIS 134 Ca -0.39 0.07 0.07 0.00 -0.00 0.00 0.00 60.37 60.12 7ice h HIS 134 Cb 1.29 0.60 -0.07 0.00 -0.00 0.00 0.00 27.41 29.22 7ice h HIS 134 CO 0.34 -0.29 -0.17 1.25 -0.00 0.00 0.00 177.93 179.05 7ice h HIS 135 N -0.14 -0.43 -0.36 5.26 -0.00 -1.89 0.42 115.15 118.01 7ice h HIS 135 Ca 0.08 0.04 0.10 0.00 -0.00 0.00 0.00 60.37 60.59 7ice h HIS 135 Cb 0.34 0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.98 7ice h HIS 135 CO -0.84 -0.25 0.26 1.96 -0.00 0.00 0.00 177.93 179.06 7ice h GLN 136 N -0.13 0.01 -0.04 5.26 4.20 -1.37 0.18 115.11 123.22 7ice h GLN 136 Ca 0.16 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.75 7ice h GLN 136 Cb 0.38 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.17 7ice h GLN 136 CO -0.40 0.00 -0.47 0.00 -0.67 0.00 0.00 178.83 177.30 7ice h ARG 137 N 0.01 0.38 -0.28 1.46 3.08 0.18 -1.85 114.38 117.35 7ice h ARG 137 Ca 0.17 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.86 7ice h ARG 137 Cb 0.69 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 7ice h ARG 137 CO -0.00 1.02 0.18 0.82 -1.07 0.00 0.00 179.97 180.92 7ice h ILE 138 N -0.13 1.09 -0.75 2.04 1.08 -0.52 0.19 117.51 120.51 7ice h ILE 138 Ca -0.05 -0.19 0.17 0.00 -0.39 0.00 0.00 64.86 64.40 7ice h ILE 138 Cb 1.16 0.72 -0.12 0.00 -3.07 0.00 0.00 36.82 35.51 7ice h ILE 138 CO 0.09 0.09 0.13 1.23 -0.69 0.00 0.00 178.15 179.00 7ice h GLY 139 N 0.36 1.00 1.33 5.37 0.00 -0.63 0.63 103.07 111.13 7ice h GLY 139 Ca 0.10 0.01 -0.18 0.00 0.00 0.00 0.00 47.33 47.26 7ice h GLY 139 CO -0.02 -0.25 -0.59 -2.00 0.00 0.00 0.00 176.54 173.68 7ice h LEU 140 N 0.21 0.78 -2.09 3.11 5.85 -0.49 -1.99 115.31 120.69 7ice h LEU 140 Ca 0.43 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 7ice h LEU 140 Cb 0.75 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 7ice h LEU 140 CO -0.57 1.20 -0.07 0.50 -0.34 0.00 0.00 178.44 179.16 7ice h LYS 141 N 0.52 0.00 0.00 1.25 3.64 0.15 -3.09 116.57 119.04 7ice h LYS 141 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 7ice h LYS 141 Cb 1.17 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.92 7ice h LYS 141 CO 0.12 0.07 -0.45 0.66 -2.27 0.00 0.00 179.45 177.57 7ice n TYR 142 N -3.45 0.00 -0.34 1.91 4.01 -0.32 -4.81 117.16 114.17 7ice n TYR 142 Ca -0.02 -0.91 0.27 0.00 -0.16 0.00 0.00 57.90 57.08 7ice n TYR 142 Cb 0.21 -0.17 0.52 0.00 -0.31 0.00 0.00 39.34 39.59 7ice n TYR 142 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 7ice h PHE 143 N 0.53 0.86 0.00 -0.72 3.57 -1.27 0.57 116.94 120.48 7ice h PHE 143 Ca -0.04 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.49 7ice h PHE 143 Cb 1.24 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.76 7ice h PHE 143 CO 0.31 -0.24 0.00 0.41 -2.23 0.00 0.00 178.31 176.56 7ice n GLY 144 N -1.31 -1.37 0.33 2.40 0.00 -1.26 -2.89 105.19 101.09 7ice n GLY 144 Ca 0.34 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.66 7ice n GLY 144 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 7ice h ASP 145 N 0.00 0.37 -0.98 1.61 3.32 -1.68 0.50 116.42 119.56 7ice h ASP 145 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.29 7ice h ASP 145 Cb 0.00 0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.73 7ice h ASP 145 CO 0.00 -0.34 0.62 -0.26 -1.72 0.00 0.00 179.24 177.54 7ice h PHE 146 N 0.10 1.26 -0.00 4.55 0.04 0.05 -2.07 116.94 120.87 7ice h PHE 146 Ca 0.82 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.60 7ice h PHE 146 Cb 2.11 -0.42 0.00 0.00 2.20 0.00 0.00 35.95 39.84 7ice h PHE 146 CO -0.01 0.82 -0.03 0.39 -0.60 0.00 0.00 178.31 178.87 7ice n GLU 147 N -4.37 0.37 -2.59 1.51 1.02 0.17 -4.83 120.64 111.92 7ice n GLU 147 Ca 0.11 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.80 7ice n GLU 147 Cb 0.03 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 7ice n GLU 147 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 7ice s LYS 148 N -2.66 4.47 1.13 3.49 1.02 -0.78 -5.03 119.74 121.38 7ice s LYS 148 Ca 0.25 1.55 -0.12 0.00 0.02 0.00 0.00 55.97 57.67 7ice s LYS 148 Cb 0.20 -3.46 0.27 0.00 -0.52 0.00 0.00 37.83 34.32 7ice s LYS 148 CO 0.48 -0.21 1.05 1.03 -0.92 0.00 0.00 175.35 176.78 7ice s ARG 149 N 1.37 -0.68 -0.32 1.68 1.81 -1.26 -4.94 118.95 116.61 7ice s ARG 149 Ca 0.54 1.01 0.00 0.00 -1.72 0.00 0.00 55.73 55.56 7ice s ARG 149 Cb -0.23 -1.57 0.07 0.00 -0.45 0.00 0.00 34.95 32.77 7ice s ARG 149 CO 0.26 -3.61 0.02 0.42 -0.68 0.00 0.00 175.30 171.71 7ice s ILE 150 N -2.46 2.73 0.12 1.52 1.01 0.73 -4.89 121.20 119.96 7ice s ILE 150 Ca 0.68 -1.75 -0.31 0.00 0.00 0.00 0.00 60.65 59.27 7ice s ILE 150 Cb -0.25 -2.72 -0.09 0.00 0.01 0.00 0.00 42.46 39.41 7ice s ILE 150 CO 0.64 -0.30 1.66 -2.16 0.00 0.00 0.00 174.94 174.78 7ice s PRO 151 N 1.13 4.19 0.61 2.79 0.04 -1.26 0.29 135.00 142.78 7ice s PRO 151 Ca -0.00 2.40 0.29 0.00 0.04 0.00 0.00 61.00 63.73 7ice s PRO 151 Cb -0.20 -3.42 1.51 0.00 0.04 0.00 0.00 34.50 32.43 7ice s PRO 151 CO -0.04 -0.71 1.90 0.07 0.04 0.00 0.00 177.00 178.26 7ice h ARG 152 N 7.76 0.00 0.00 4.56 0.11 -0.52 0.95 114.38 127.24 7ice h ARG 152 Ca -0.43 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.64 7ice h ARG 152 Cb 1.20 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.28 7ice h ARG 152 CO 0.93 0.00 -0.02 1.05 0.10 0.00 0.00 179.97 182.03 7ice h GLU 153 N 0.00 0.00 0.10 0.08 9.09 -1.88 -0.77 114.58 121.20 7ice h GLU 153 Ca 0.14 0.00 -0.35 0.00 0.05 0.00 0.00 59.36 59.20 7ice h GLU 153 Cb 1.01 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.08 7ice h GLU 153 CO -0.00 0.02 -1.97 0.39 0.05 0.00 0.00 179.01 177.50 7ice n GLU 154 N -3.88 0.74 -0.20 1.06 1.02 0.32 -4.09 120.64 115.62 7ice n GLU 154 Ca -0.03 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 7ice n GLU 154 Cb 0.11 -1.72 0.09 0.00 -0.02 0.00 0.00 31.44 29.90 7ice n GLU 154 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 7ice h MET 155 N 0.06 0.09 -0.76 3.49 2.86 -0.52 0.10 114.93 120.25 7ice h MET 155 Ca -0.41 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.27 7ice h MET 155 Cb 2.03 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 33.63 7ice h MET 155 CO 0.08 0.06 0.50 -0.07 1.06 0.00 0.00 176.91 178.55 7ice h LEU 156 N 0.10 0.79 -0.19 1.22 3.38 -1.35 0.34 115.31 119.60 7ice h LEU 156 Ca 0.31 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 58.05 7ice h LEU 156 Cb 0.49 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.07 7ice h LEU 156 CO -0.53 0.54 -0.73 1.56 0.09 0.00 0.00 178.44 179.36 7ice h GLN 157 N 0.91 0.82 0.26 1.13 4.20 -1.25 -2.04 115.11 119.14 7ice h GLN 157 Ca 0.31 -0.64 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 7ice h GLN 157 Cb 0.09 0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.99 7ice h GLN 157 CO -0.09 1.25 -0.12 0.52 -0.67 0.00 0.00 178.83 179.71 7ice h MET 158 N 0.58 -0.33 -0.66 1.46 2.86 -0.18 -2.06 114.93 116.59 7ice h MET 158 Ca -0.04 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.73 7ice h MET 158 Cb 1.36 0.08 -0.08 0.00 0.06 0.00 0.00 31.60 33.02 7ice h MET 158 CO 0.15 -0.08 0.27 0.37 1.06 0.00 0.00 176.91 178.69 7ice h GLN 159 N -0.56 0.45 -0.69 1.72 4.15 -0.42 0.09 115.11 119.85 7ice h GLN 159 Ca -0.04 -0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.43 7ice h GLN 159 Cb 0.41 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.93 7ice h GLN 159 CO 0.06 0.30 0.37 0.22 -1.93 0.00 0.00 178.83 177.84 7ice h ASP 160 N 0.46 0.51 0.05 -0.69 3.58 -1.15 -1.91 116.42 117.28 7ice h ASP 160 Ca 0.34 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.83 7ice h ASP 160 Cb 0.42 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.42 7ice h ASP 160 CO -0.31 0.31 -0.02 0.40 -2.88 0.00 0.00 179.24 176.74 7ice h ILE 161 N 0.65 1.31 -0.74 2.25 2.04 -0.33 -3.06 117.51 119.63 7ice h ILE 161 Ca 0.33 -1.32 0.17 0.00 1.00 0.00 0.00 64.86 65.03 7ice h ILE 161 Cb 0.28 2.17 -0.12 0.00 -0.74 0.00 0.00 36.82 38.40 7ice h ILE 161 CO -0.23 0.33 0.07 0.58 0.00 0.00 0.00 178.15 178.90 7ice h VAL 162 N -0.66 0.40 0.00 1.67 2.07 -0.94 0.16 116.25 118.94 7ice h VAL 162 Ca -0.01 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 7ice h VAL 162 Cb 0.58 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 7ice h VAL 162 CO 0.01 0.03 -0.38 -0.07 0.02 0.00 0.00 177.57 177.18 7ice h LEU 163 N 0.15 0.00 0.14 2.57 3.38 -1.43 -1.25 115.31 118.87 7ice h LEU 163 Ca 0.42 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.10 7ice h LEU 163 Cb 0.73 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.49 7ice h LEU 163 CO -0.61 0.38 -1.31 0.78 0.09 0.00 0.00 178.44 177.76 7ice h ASN 164 N 0.00 0.48 -0.22 -0.43 2.35 -0.88 -2.49 115.58 114.39 7ice h ASN 164 Ca -0.00 -0.53 -0.13 0.00 -0.55 0.00 0.00 56.30 55.09 7ice h ASN 164 Cb 0.69 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 7ice h ASN 164 CO 0.05 1.42 -0.32 -0.33 -1.65 0.00 0.00 177.43 176.59 7ice h GLU 165 N 0.08 0.73 -0.46 0.81 4.39 -0.56 -1.87 114.58 117.71 7ice h GLU 165 Ca -0.16 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.19 7ice h GLU 165 Cb 2.01 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.62 7ice h GLU 165 CO 0.21 0.95 0.27 0.28 -1.16 0.00 0.00 179.01 179.56 7ice h VAL 166 N 0.62 1.15 -0.26 3.13 2.07 -1.25 -2.52 116.25 119.19 7ice h VAL 166 Ca 0.07 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.28 7ice h VAL 166 Cb 0.85 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 7ice h VAL 166 CO 0.07 0.16 -0.19 0.50 0.02 0.00 0.00 177.57 178.13 7ice h LYS 167 N 0.61 -0.17 -0.47 1.57 3.64 -1.21 -1.47 116.57 119.08 7ice h LYS 167 Ca 0.16 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.63 7ice h LYS 167 Cb 0.02 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 7ice h LYS 167 CO -0.03 -0.11 0.09 1.57 -2.27 0.00 0.00 179.45 178.70 7ice h LYS 168 N -0.18 0.22 -0.66 1.90 2.10 -1.02 -2.34 116.57 116.58 7ice h LYS 168 Ca 0.14 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.80 7ice h LYS 168 Cb 0.39 -0.05 -0.04 0.00 -0.90 0.00 0.00 32.23 31.64 7ice h LYS 168 CO -0.36 0.15 0.43 -0.24 -2.00 0.00 0.00 179.45 177.42 7ice h VAL 169 N 0.23 1.14 -2.33 0.07 3.04 -0.95 -3.43 116.25 114.01 7ice h VAL 169 Ca 0.23 -0.30 -0.06 0.00 -1.01 0.00 0.00 66.70 65.57 7ice h VAL 169 Cb 0.30 0.20 -0.23 0.00 -2.01 0.00 0.00 31.29 29.55 7ice h VAL 169 CO -0.30 0.16 -0.10 -0.62 -1.01 0.00 0.00 177.57 175.69 7ice s ASP 170 N -5.76 -0.68 0.49 3.17 -1.08 -0.63 -5.02 116.67 107.16 7ice s ASP 170 Ca -0.13 1.19 0.28 0.00 -0.52 0.00 0.00 52.55 53.37 7ice s ASP 170 Cb 0.14 1.12 0.88 0.00 -1.46 0.00 0.00 42.92 43.60 7ice s ASP 170 CO 0.76 -0.21 1.80 0.28 0.52 0.00 0.00 175.17 178.33 7ice h SER 171 N 6.35 0.00 1.24 -0.34 0.02 -1.82 -3.13 113.55 115.86 7ice h SER 171 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 7ice h SER 171 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 7ice h SER 171 CO 0.19 0.04 0.00 1.21 -1.14 0.00 0.00 176.83 177.13 7ice n GLU 172 N -3.12 0.14 -1.81 3.45 4.07 -1.26 -4.89 120.64 117.21 7ice n GLU 172 Ca 0.02 0.13 -0.34 0.00 -0.06 0.00 0.00 57.16 56.91 7ice n GLU 172 Cb 0.42 -1.67 0.05 0.00 -0.06 0.00 0.00 31.44 30.18 7ice n GLU 172 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 7ice s TYR 173 N -3.06 2.50 -0.19 4.31 2.02 -1.18 -4.36 117.35 117.39 7ice s TYR 173 Ca 0.12 1.56 -0.03 0.00 -0.37 0.00 0.00 57.07 58.35 7ice s TYR 173 Cb 0.15 -3.28 0.06 0.00 -0.40 0.00 0.00 41.96 38.49 7ice s TYR 173 CO 0.56 -1.89 0.03 0.42 -1.57 0.00 0.00 175.55 173.09 7ice s ILE 174 N -2.10 0.57 0.11 2.71 1.01 -0.44 -4.96 121.20 118.11 7ice s ILE 174 Ca 0.70 -0.55 0.07 0.00 0.00 0.00 0.00 60.65 60.88 7ice s ILE 174 Cb -0.24 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 7ice s ILE 174 CO 0.39 -0.17 -0.09 0.00 0.00 0.00 0.00 174.94 175.07 7ice s ALA 175 N 1.84 2.99 -0.12 9.38 0.00 -1.26 -2.44 121.76 132.15 7ice s ALA 175 Ca -0.01 -1.26 -0.09 0.00 0.00 0.00 0.00 51.96 50.61 7ice s ALA 175 Cb -0.17 -0.91 0.04 0.00 0.00 0.00 0.00 23.12 22.08 7ice s ALA 175 CO -0.08 0.63 0.30 0.99 0.00 0.00 0.00 175.76 177.60 7ice s THR 176 N -1.28 -0.02 -0.41 0.00 2.01 -0.71 -4.97 115.64 110.27 7ice s THR 176 Ca 0.22 0.06 -0.09 0.00 0.31 0.00 0.00 61.69 62.19 7ice s THR 176 Cb -0.11 -0.44 0.07 0.00 0.01 0.00 0.00 72.50 72.04 7ice s THR 176 CO 0.14 0.02 0.24 -0.69 -0.69 0.00 0.00 174.62 173.65 7ice s VAL 177 N 0.68 4.21 0.00 3.82 1.01 -1.26 0.47 120.40 129.33 7ice s VAL 177 Ca -0.04 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.61 7ice s VAL 177 Cb -0.06 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.79 7ice s VAL 177 CO -0.04 -0.45 0.00 0.00 0.00 0.00 0.00 175.10 174.61 7ice n GLY 179 N 5.00 -3.18 0.26 0.00 0.00 -1.24 -4.16 105.19 101.87 7ice n GLY 179 Ca 0.00 -2.02 0.15 0.00 0.00 0.00 0.00 46.02 44.15 7ice n GLY 179 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 7ice h SER 180 N 0.00 0.00 -0.92 1.61 4.64 -1.89 -2.30 113.55 114.69 7ice h SER 180 Ca 0.00 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.50 7ice h SER 180 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 7ice h SER 180 CO 0.00 0.04 0.50 0.15 -0.87 0.00 0.00 176.83 176.65 7ice h PHE 181 N 0.00 0.88 -0.06 4.77 3.57 -1.84 0.48 116.94 124.73 7ice h PHE 181 Ca -0.00 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.38 7ice h PHE 181 Cb 0.62 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 7ice h PHE 181 CO 0.00 0.17 -0.66 -0.09 -2.23 0.00 0.00 178.31 175.49 7ice h ARG 182 N 0.64 0.25 -0.00 1.11 2.43 -1.58 -3.23 114.38 114.00 7ice h ARG 182 Ca 0.53 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 7ice h ARG 182 Cb 0.83 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 7ice h ARG 182 CO -0.40 0.83 -0.09 0.54 -1.51 0.00 0.00 179.97 179.34 7ice n ARG 183 N -3.83 0.07 0.00 0.20 1.74 0.07 -4.34 116.66 110.58 7ice n ARG 183 Ca -0.03 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 7ice n ARG 183 Cb 0.66 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 7ice n ARG 183 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 7ice n GLY 184 N 1.47 3.23 0.00 -0.13 0.00 -0.67 -3.76 105.19 105.33 7ice n GLY 184 Ca 0.08 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.48 7ice n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 7ice n ALA 185 N 0.00 -0.02 0.20 4.61 0.00 -1.04 -4.86 120.51 119.40 7ice n ALA 185 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 7ice n ALA 185 Cb 0.00 0.00 0.38 0.00 0.00 0.00 0.00 19.45 19.83 7ice n ALA 185 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 7ice h GLU 186 N 0.00 0.00 -3.50 0.00 4.39 -1.94 -3.44 114.58 110.09 7ice h GLU 186 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 7ice h GLU 186 Cb 0.00 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 28.52 7ice h GLU 186 CO 0.00 0.31 -0.14 -1.54 -1.16 0.00 0.00 179.01 176.48 7ice s SER 187 N -6.33 -0.15 0.11 1.42 1.04 -1.26 0.22 113.70 108.76 7ice s SER 187 Ca 0.01 -0.43 -0.08 0.00 0.48 0.00 0.00 55.95 55.93 7ice s SER 187 Cb 0.10 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 7ice s SER 187 CO 0.67 -0.84 0.20 -0.44 0.98 0.00 0.00 173.24 173.80 7ice s SER 188 N -2.83 0.13 0.07 7.02 0.01 0.14 -4.85 113.70 113.38 7ice s SER 188 Ca 0.05 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.55 7ice s SER 188 Cb 0.02 0.36 -0.26 0.00 0.21 0.00 0.00 66.02 66.35 7ice s SER 188 CO -0.11 -0.77 1.09 1.23 0.41 0.00 0.00 173.24 175.10 7ice h GLY 189 N 2.72 0.20 -1.85 3.44 0.00 -1.92 2.17 103.07 107.82 7ice h GLY 189 Ca -0.33 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.47 7ice h GLY 189 CO 0.55 0.44 0.09 0.51 0.00 0.00 0.00 176.54 178.13 7ice s ASP 190 N -6.92 -0.03 -0.23 0.19 1.47 -1.26 -4.73 116.67 105.15 7ice s ASP 190 Ca -0.04 -0.91 -0.06 0.00 1.18 0.00 0.00 52.55 52.72 7ice s ASP 190 Cb 0.08 0.71 -0.02 0.00 -0.34 0.00 0.00 42.92 43.34 7ice s ASP 190 CO 0.86 -1.36 0.03 -0.32 0.68 0.00 0.00 175.17 175.06 7ice s MET 191 N -3.52 3.59 -0.44 2.11 -2.45 -0.91 -5.01 119.30 112.68 7ice s MET 191 Ca 0.17 -0.52 -0.09 0.00 -1.25 0.00 0.00 55.69 54.00 7ice s MET 191 Cb -0.04 -3.19 0.10 0.00 1.25 0.00 0.00 34.83 32.95 7ice s MET 191 CO 0.10 -0.13 0.30 -0.51 1.05 0.00 0.00 175.02 175.83 7ice s ASP 192 N 1.41 5.68 -0.22 1.11 1.11 -1.26 -0.63 116.67 123.87 7ice s ASP 192 Ca 0.05 -1.68 -0.11 0.00 0.18 0.00 0.00 52.55 50.99 7ice s ASP 192 Cb -0.15 -2.00 -0.05 0.00 1.07 0.00 0.00 42.92 41.79 7ice s ASP 192 CO 0.02 -0.61 0.18 -0.69 1.18 0.00 0.00 175.17 175.24 7ice s VAL 193 N 1.40 5.36 -0.13 -1.27 1.01 0.13 -2.39 120.40 124.51 7ice s VAL 193 Ca 0.04 0.24 -0.19 0.00 0.00 0.00 0.00 61.98 62.07 7ice s VAL 193 Cb -0.24 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 7ice s VAL 193 CO 0.01 0.37 0.53 -0.76 0.00 0.00 0.00 175.10 175.25 7ice s LEU 194 N 0.81 4.25 0.03 3.92 1.02 0.18 -1.31 118.68 127.58 7ice s LEU 194 Ca 0.09 0.85 0.04 0.00 0.02 0.00 0.00 54.13 55.13 7ice s LEU 194 Cb -0.13 -2.77 -0.02 0.00 0.02 0.00 0.00 46.19 43.29 7ice s LEU 194 CO 0.03 -0.07 -0.13 -0.22 0.02 0.00 0.00 176.35 175.97 7ice s LEU 195 N 0.94 2.16 0.27 1.79 2.96 0.25 -1.74 118.68 125.31 7ice s LEU 195 Ca 0.28 -0.42 -0.19 0.00 -0.22 0.00 0.00 54.13 53.57 7ice s LEU 195 Cb -0.16 -0.55 0.01 0.00 0.50 0.00 0.00 46.19 46.00 7ice s LEU 195 CO 0.11 0.03 0.67 0.28 -1.32 0.00 0.00 176.35 176.12 7ice s THR 196 N -0.80 0.00 -0.01 3.68 -1.32 -1.02 0.25 115.64 116.42 7ice s THR 196 Ca 0.01 -1.09 -0.18 0.00 -1.21 0.00 0.00 61.69 59.22 7ice s THR 196 Cb -0.07 -2.05 0.03 0.00 -1.51 0.00 0.00 72.50 68.90 7ice s THR 196 CO 0.01 0.00 0.38 -2.28 -2.21 0.00 0.00 174.62 170.52 7ice s HIS 197 N -3.93 -0.26 0.19 9.09 2.46 -1.26 -1.33 115.29 120.25 7ice s HIS 197 Ca 0.13 0.39 -0.12 0.00 0.47 0.00 0.00 55.06 55.94 7ice s HIS 197 Cb -0.05 0.16 0.11 0.00 -0.13 0.00 0.00 32.58 32.67 7ice s HIS 197 CO 0.07 -0.45 1.82 -1.35 -2.47 0.00 0.00 174.74 172.37 7ice h PRO 198 N 3.62 0.90 -1.62 2.88 0.11 -1.96 -2.63 132.00 133.31 7ice h PRO 198 Ca -0.29 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.73 7ice h PRO 198 Cb 1.17 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.10 7ice h PRO 198 CO 0.40 0.66 0.00 -1.13 -0.21 0.00 0.00 178.00 177.72 7ice n SER 199 N -4.56 3.40 -3.54 -2.05 3.41 -1.26 -4.59 113.62 104.43 7ice n SER 199 Ca 0.05 -1.88 -0.08 0.00 -0.26 0.00 0.00 58.87 56.70 7ice n SER 199 Cb 0.07 -0.67 -0.08 0.00 -0.26 0.00 0.00 64.21 63.27 7ice n SER 199 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 7ice s PHE 200 N 0.30 -0.87 0.17 7.33 5.36 -0.99 -4.94 117.98 124.35 7ice s PHE 200 Ca 0.00 1.34 -0.24 0.00 -0.96 0.00 0.00 56.93 57.07 7ice s PHE 200 Cb 0.00 0.24 0.06 0.00 -0.34 0.00 0.00 43.02 42.98 7ice s PHE 200 CO 0.00 -0.58 0.92 -0.08 -1.46 0.00 0.00 175.22 174.02 7ice s THR 201 N 2.61 0.00 0.00 0.12 -1.32 -1.26 0.18 115.64 115.98 7ice s THR 201 Ca 0.04 -0.70 0.00 0.00 -1.21 0.00 0.00 61.69 59.82 7ice s THR 201 Cb -0.13 -1.98 0.00 0.00 -1.51 0.00 0.00 72.50 68.88 7ice s THR 201 CO -0.14 0.00 0.00 -0.24 -2.21 0.00 0.00 174.62 172.03 7ice n SER 202 N -0.47 0.00 -0.07 8.08 2.88 -1.26 -0.40 113.62 122.38 7ice n SER 202 Ca -0.06 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.43 7ice n SER 202 Cb 0.60 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.05 7ice n SER 202 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 7ice h GLU 203 N 0.00 0.00 -2.51 -1.46 3.07 -2.03 -3.48 114.58 108.18 7ice h GLU 203 Ca 0.00 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.54 7ice h GLU 203 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 7ice h GLU 203 CO 0.00 0.05 0.55 -1.13 -1.40 0.00 0.00 179.01 177.07 7ice n SER 204 N -4.61 0.32 -4.58 1.42 3.41 0.46 -4.69 113.62 105.34 7ice n SER 204 Ca -0.08 0.29 -0.42 0.00 -0.26 0.00 0.00 58.87 58.40 7ice n SER 204 Cb 0.28 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 7ice n SER 204 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 7ice s THR 205 N 2.49 3.77 0.00 6.66 -1.32 -1.26 -4.40 115.64 121.58 7ice s THR 205 Ca 0.50 0.68 0.00 0.00 -1.21 0.00 0.00 61.69 61.67 7ice s THR 205 Cb -0.63 -4.34 0.00 0.00 -1.51 0.00 0.00 72.50 66.03 7ice s THR 205 CO 0.28 -1.05 0.00 0.29 -2.21 0.00 0.00 174.62 171.93 7ice n LYS 206 N 8.57 0.00 0.00 7.08 4.76 -1.26 -5.01 118.16 132.30 7ice n LYS 206 Ca 0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 7ice n LYS 206 Cb 0.49 -0.47 0.00 0.00 -1.84 0.00 0.00 35.03 33.21 7ice n LYS 206 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 7ice n GLN 207 N -1.91 0.00 -0.17 1.97 7.27 -1.26 -5.04 117.38 118.24 7ice n GLN 207 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.01 7ice n GLN 207 Cb 0.45 0.00 0.11 0.00 2.41 0.00 0.00 30.24 33.21 7ice n GLN 207 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 7ice h PRO 208 N 0.00 0.94 -0.81 3.69 0.13 -1.95 -2.61 132.00 131.39 7ice h PRO 208 Ca 0.00 -0.25 0.15 0.00 -0.87 0.00 0.00 66.00 65.02 7ice h PRO 208 Cb 0.00 -0.11 -0.09 0.00 0.13 0.00 0.00 31.00 30.93 7ice h PRO 208 CO 0.00 0.90 0.38 0.87 -0.23 0.00 0.00 178.00 179.92 7ice h LYS 209 N 0.88 0.53 -0.95 0.86 1.79 -1.96 -0.32 116.57 117.40 7ice h LYS 209 Ca 0.17 -0.03 0.19 0.00 -2.18 0.00 0.00 60.65 58.80 7ice h LYS 209 Cb 0.45 -0.12 -0.18 0.00 -1.58 0.00 0.00 32.23 30.80 7ice h LYS 209 CO 0.02 0.35 -0.25 1.28 -1.08 0.00 0.00 179.45 179.77 7ice n LEU 210 N -4.93 -0.37 0.11 2.94 4.77 -0.98 0.62 117.00 119.16 7ice n LEU 210 Ca 0.16 1.63 -0.23 0.00 -0.03 0.00 0.00 56.01 57.54 7ice n LEU 210 Cb 0.43 -0.48 -0.15 0.00 -2.33 0.00 0.00 43.42 40.89 7ice n LEU 210 CO 0.20 -1.56 -0.38 0.25 -1.33 0.00 0.00 177.39 174.57 7ice h LEU 211 N 0.00 0.70 -1.28 2.23 5.85 -1.24 -3.38 115.31 118.18 7ice h LEU 211 Ca 0.44 -0.88 -0.06 0.00 0.84 0.00 0.00 57.88 58.23 7ice h LEU 211 Cb 0.68 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 7ice h LEU 211 CO -0.97 1.72 -0.12 0.45 -0.34 0.00 0.00 178.44 179.18 7ice h HIS 212 N 0.12 0.36 -0.60 1.25 3.86 0.25 -2.57 115.15 117.82 7ice h HIS 212 Ca -0.29 -0.05 -0.10 0.00 -1.16 0.00 0.00 60.37 58.77 7ice h HIS 212 Cb 2.12 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 30.47 7ice h HIS 212 CO 0.11 0.46 -0.00 1.96 0.86 0.00 0.00 177.93 181.32 7ice h GLN 213 N 0.32 1.05 -0.43 2.45 4.20 0.01 -2.26 115.11 120.46 7ice h GLN 213 Ca 0.06 -0.33 -0.15 0.00 0.06 0.00 0.00 58.65 58.29 7ice h GLN 213 Cb 0.41 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 7ice h GLN 213 CO 0.02 1.03 -0.31 -0.39 -0.67 0.00 0.00 178.83 178.51 7ice h VAL 214 N 0.96 1.27 -1.01 -0.54 -1.51 -1.68 -2.05 116.25 111.69 7ice h VAL 214 Ca 0.17 -1.48 0.07 0.00 -1.23 0.00 0.00 66.70 64.23 7ice h VAL 214 Cb 0.56 1.26 -0.07 0.00 -2.13 0.00 0.00 31.29 30.91 7ice h VAL 214 CO 0.03 0.50 0.65 0.58 -1.23 0.00 0.00 177.57 178.10 7ice h VAL 215 N 0.81 1.09 -0.65 7.19 2.07 -1.33 -0.94 116.25 124.48 7ice h VAL 215 Ca 0.08 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.20 7ice h VAL 215 Cb 0.90 -0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 7ice h VAL 215 CO 0.08 0.22 0.42 -0.08 0.02 0.00 0.00 177.57 178.23 7ice h GLU 216 N 1.18 0.87 -0.29 1.57 4.81 -1.21 -1.71 114.58 119.80 7ice h GLU 216 Ca 0.43 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 7ice h GLU 216 Cb 0.17 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 7ice h GLU 216 CO -0.17 0.60 0.14 0.37 -0.73 0.00 0.00 179.01 179.22 7ice h GLN 217 N 0.89 0.41 -0.47 1.92 5.75 -0.46 0.23 115.11 123.37 7ice h GLN 217 Ca 0.24 -0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.74 7ice h GLN 217 Cb -0.07 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.35 7ice h GLN 217 CO -0.05 0.39 0.19 -0.07 -2.65 0.00 0.00 178.83 176.64 7ice h LEU 218 N 0.34 0.22 -1.30 -2.39 4.07 -1.14 0.67 115.31 115.77 7ice h LEU 218 Ca 0.10 0.05 -0.04 0.00 0.08 0.00 0.00 57.88 58.07 7ice h LEU 218 Cb 0.11 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 7ice h LEU 218 CO -0.01 0.16 -0.20 1.56 -1.08 0.00 0.00 178.44 178.87 7ice h GLN 219 N 0.37 0.00 0.19 1.13 4.20 -0.98 0.28 115.11 120.31 7ice h GLN 219 Ca 0.22 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 7ice h GLN 219 Cb 0.20 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 7ice h GLN 219 CO -0.21 0.20 -0.28 -0.22 -0.67 0.00 0.00 178.83 177.65 7ice h LYS 220 N 0.00 -0.48 0.00 1.46 3.64 0.37 0.32 116.57 121.88 7ice h LYS 220 Ca -0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 7ice h LYS 220 Cb 0.65 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 7ice h LYS 220 CO 0.03 -0.32 0.00 1.33 -2.27 0.00 0.00 179.45 178.22 7ice n VAL 221 N -4.06 0.00 -2.94 2.00 0.24 -0.57 -4.85 118.33 108.15 7ice n VAL 221 Ca -0.06 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.14 7ice n VAL 221 Cb 0.24 -0.39 0.03 0.00 -1.47 0.00 0.00 33.84 32.26 7ice n VAL 221 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 7ice n HIS 222 N -0.74 -1.18 -0.04 6.34 8.25 0.10 -4.92 115.22 123.02 7ice n HIS 222 Ca 0.08 0.42 -0.15 0.00 -0.26 0.00 0.00 57.72 57.81 7ice n HIS 222 Cb 0.04 -2.71 -0.14 0.00 1.12 0.00 0.00 29.99 28.30 7ice n HIS 222 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 7ice n PHE 223 N -3.47 0.83 -3.45 4.41 -0.00 0.91 -4.67 117.46 112.01 7ice n PHE 223 Ca -0.00 0.23 -0.37 0.00 -0.00 0.00 0.00 57.45 57.30 7ice n PHE 223 Cb 0.53 -1.13 -0.07 0.00 -0.00 0.00 0.00 39.48 38.81 7ice n PHE 223 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 7ice s ILE 224 N -2.56 5.25 -0.17 -2.13 1.01 -1.19 -0.23 121.20 121.20 7ice s ILE 224 Ca -0.16 0.66 0.11 0.00 0.00 0.00 0.00 60.65 61.26 7ice s ILE 224 Cb 0.07 -3.69 -0.18 0.00 0.01 0.00 0.00 42.46 38.67 7ice s ILE 224 CO 0.78 0.33 -0.00 0.35 0.00 0.00 0.00 174.94 176.39 7ice n THR 225 N 3.88 1.09 -4.18 2.92 -2.24 0.12 -4.42 114.28 111.44 7ice n THR 225 Ca -0.10 -0.60 -0.11 0.00 -2.27 0.00 0.00 64.05 60.97 7ice n THR 225 Cb 0.52 -0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 67.90 7ice n THR 225 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 7ice s ASP 226 N -5.17 0.35 -0.16 3.42 1.11 -1.21 -5.02 116.67 109.98 7ice s ASP 226 Ca -0.13 -1.29 0.00 0.00 0.18 0.00 0.00 52.55 51.32 7ice s ASP 226 Cb 0.05 0.31 0.03 0.00 1.07 0.00 0.00 42.92 44.39 7ice s ASP 226 CO 0.59 -0.76 -0.10 -0.89 1.18 0.00 0.00 175.17 175.19 7ice s THR 227 N -4.05 1.41 -0.06 -1.27 2.01 -1.26 -2.56 115.64 109.87 7ice s THR 227 Ca 0.31 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.61 7ice s THR 227 Cb 0.07 -1.44 -0.00 0.00 0.01 0.00 0.00 72.50 71.14 7ice s THR 227 CO 0.07 0.30 -0.02 -0.07 -0.69 0.00 0.00 174.62 174.20 7ice h LEU 228 N 8.06 0.00 -7.62 4.42 4.07 -0.32 -3.46 115.31 120.46 7ice h LEU 228 Ca -0.31 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.41 7ice h LEU 228 Cb 1.12 0.00 -0.29 0.00 1.08 0.00 0.00 40.66 42.57 7ice h LEU 228 CO 0.47 0.29 -0.66 -0.94 -1.08 0.00 0.00 178.44 176.51 7ice s SER 229 N -4.39 -0.04 -0.41 -0.43 1.04 -0.41 -4.71 113.70 104.36 7ice s SER 229 Ca -0.02 0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.54 7ice s SER 229 Cb 0.00 0.08 0.13 0.00 0.10 0.00 0.00 66.02 66.34 7ice s SER 229 CO 0.03 -0.05 0.22 -0.75 0.98 0.00 0.00 173.24 173.66 7ice s LYS 230 N 0.35 1.09 0.00 4.02 2.20 -1.26 0.15 119.74 126.28 7ice s LYS 230 Ca -0.03 -1.78 0.00 0.00 -0.36 0.00 0.00 55.97 53.80 7ice s LYS 230 Cb -0.04 -2.10 0.00 0.00 -1.51 0.00 0.00 37.83 34.18 7ice s LYS 230 CO -0.01 -1.15 0.00 0.41 -0.36 0.00 0.00 175.35 174.24 7ice n GLY 231 N 3.78 0.75 0.12 5.54 0.00 -0.45 -4.99 105.19 109.94 7ice n GLY 231 Ca 0.08 -1.93 0.14 0.00 0.00 0.00 0.00 46.02 44.32 7ice n GLY 231 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 7ice n GLU 232 N -0.70 0.69 0.00 1.61 0.28 -1.26 -4.17 120.64 117.09 7ice n GLU 232 Ca 0.00 -0.24 0.00 0.00 -0.16 0.00 0.00 57.16 56.76 7ice n GLU 232 Cb 0.00 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.38 7ice n GLU 232 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 7ice n THR 233 N -0.94 0.00 -4.21 3.84 -2.24 -1.26 -4.69 114.28 104.78 7ice n THR 233 Ca 0.14 -0.01 -0.18 0.00 -2.27 0.00 0.00 64.05 61.73 7ice n THR 233 Cb 0.28 1.02 -0.15 0.00 -2.10 0.00 0.00 70.33 69.37 7ice n THR 233 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 7ice s LYS 234 N -0.02 0.68 -0.08 -0.78 2.20 -1.26 -0.56 119.74 119.93 7ice s LYS 234 Ca 0.00 -0.18 0.01 0.00 -0.36 0.00 0.00 55.97 55.44 7ice s LYS 234 Cb 0.00 -0.67 0.02 0.00 -1.51 0.00 0.00 37.83 35.67 7ice s LYS 234 CO 0.00 0.04 -0.09 0.12 -0.36 0.00 0.00 175.35 175.06 7ice s PHE 235 N 0.34 1.32 -0.37 4.03 2.19 -0.44 -1.34 117.98 123.71 7ice s PHE 235 Ca -0.04 -0.53 -0.06 0.00 0.33 0.00 0.00 56.93 56.62 7ice s PHE 235 Cb -0.08 -1.04 0.06 0.00 -1.31 0.00 0.00 43.02 40.65 7ice s PHE 235 CO -0.00 -0.33 0.16 -1.64 1.83 0.00 0.00 175.22 175.24 7ice s MET 236 N 1.06 2.50 0.00 10.12 -1.94 0.12 -1.25 119.30 129.91 7ice s MET 236 Ca -0.08 -1.38 0.00 0.00 -1.71 0.00 0.00 55.69 52.52 7ice s MET 236 Cb -0.14 -3.56 0.00 0.00 2.01 0.00 0.00 34.83 33.13 7ice s MET 236 CO -0.01 -0.82 0.00 0.41 -0.01 0.00 0.00 175.02 174.59 7ice n GLY 237 N 4.79 6.28 2.86 -0.03 0.00 0.70 0.42 105.19 120.22 7ice n GLY 237 Ca -0.10 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 7ice n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 7ice s VAL 238 N 1.08 -0.03 0.30 1.61 1.01 -1.06 -2.28 120.40 121.02 7ice s VAL 238 Ca 0.00 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.15 7ice s VAL 238 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.24 7ice s VAL 238 CO 0.00 0.05 0.23 0.00 0.00 0.00 0.00 175.10 175.38 7ice s GLN 240 N -3.66 0.55 -0.34 0.00 0.74 0.69 -0.91 119.66 116.71 7ice s GLN 240 Ca 0.40 0.88 -0.29 0.00 0.05 0.00 0.00 55.36 56.40 7ice s GLN 240 Cb 0.04 0.15 -0.00 0.00 1.10 0.00 0.00 33.01 34.29 7ice s GLN 240 CO 0.23 -0.10 1.49 -0.51 -0.55 0.00 0.00 175.29 175.84 7ice s LEU 241 N 1.23 3.68 -0.21 3.68 1.43 -1.26 -4.62 118.68 122.61 7ice s LEU 241 Ca -0.07 1.12 -0.30 0.00 -1.03 0.00 0.00 54.13 53.85 7ice s LEU 241 Cb -0.04 -3.54 -0.13 0.00 0.03 0.00 0.00 46.19 42.51 7ice s LEU 241 CO -0.14 -1.38 0.94 -0.81 0.23 0.00 0.00 176.35 175.19 7ice n PRO 242 N 7.92 0.00 -2.16 1.29 -0.04 -1.26 -4.20 135.00 136.55 7ice n PRO 242 Ca 0.18 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.21 7ice n PRO 242 Cb 0.47 -1.01 -0.02 0.00 -0.04 0.00 0.00 33.50 32.90 7ice n PRO 242 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 7ice s SER 243 N 1.27 6.74 0.00 3.54 0.01 -1.26 -4.89 113.70 119.11 7ice s SER 243 Ca 0.67 2.00 0.00 0.00 1.31 0.00 0.00 55.95 59.93 7ice s SER 243 Cb -0.95 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 62.75 7ice s SER 243 CO 0.49 -0.89 0.00 0.29 0.41 0.00 0.00 173.24 173.53 7ice n LYS 244 N 6.99 0.00 -3.65 12.44 4.76 -1.26 -4.55 118.16 132.88 7ice n LYS 244 Ca 0.16 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.24 7ice n LYS 244 Cb 0.44 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.56 7ice n LYS 244 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 7ice s ASN 245 N -2.84 5.84 0.00 4.39 6.03 -1.26 -5.02 114.94 122.08 7ice s ASN 245 Ca 0.00 -3.55 0.00 0.00 -1.03 0.00 0.00 52.86 48.28 7ice s ASN 245 Cb 0.00 -1.90 0.00 0.00 -3.03 0.00 0.00 41.25 36.32 7ice s ASN 245 CO 0.00 -0.22 0.00 0.47 -2.03 0.00 0.00 177.10 175.32 7ice n ASP 246 N 2.57 0.00 0.00 3.54 9.92 -1.26 -4.54 116.55 126.77 7ice n ASP 246 Ca 0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 7ice n ASP 246 Cb 0.37 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 7ice n ASP 246 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 7ice n GLU 247 N 0.00 0.00 -3.52 -1.24 -0.58 -1.26 -5.07 120.64 108.97 7ice n GLU 247 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 7ice n GLU 247 Cb 0.00 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.75 7ice n GLU 247 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 7ice s LYS 248 N 0.00 0.83 0.55 3.49 0.00 -1.26 -5.13 119.74 118.22 7ice s LYS 248 Ca 0.00 -1.66 -0.08 0.00 0.00 0.00 0.00 55.97 54.23 7ice s LYS 248 Cb 0.00 -1.61 -0.03 0.00 0.00 0.00 0.00 37.83 36.19 7ice s LYS 248 CO 0.00 -1.23 0.90 -2.00 0.00 0.00 0.00 175.35 173.02 7ice s GLU 249 N 0.68 3.46 0.27 1.78 2.12 -1.26 -4.36 118.70 121.39 7ice s GLU 249 Ca 0.20 0.39 0.04 0.00 0.36 0.00 0.00 54.97 55.96 7ice s GLU 249 Cb -0.19 -2.24 -0.03 0.00 0.26 0.00 0.00 34.13 31.93 7ice s GLU 249 CO -0.03 -0.43 0.42 0.71 -0.54 0.00 0.00 175.26 175.39 7ice s TYR 250 N -2.96 3.47 0.90 5.30 1.51 -1.26 -5.04 117.35 119.27 7ice s TYR 250 Ca 0.51 0.10 -0.11 0.00 -1.01 0.00 0.00 57.07 56.56 7ice s TYR 250 Cb -0.11 -1.67 0.13 0.00 -0.11 0.00 0.00 41.96 40.20 7ice s TYR 250 CO 0.49 0.34 1.09 -1.25 -1.11 0.00 0.00 175.55 175.11 7ice s PRO 251 N -4.08 1.23 -0.06 -1.71 0.04 -1.26 -4.92 135.00 124.24 7ice s PRO 251 Ca 0.36 1.01 -0.20 0.00 0.04 0.00 0.00 61.00 62.21 7ice s PRO 251 Cb -0.09 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 7ice s PRO 251 CO 0.31 -2.31 0.56 -1.01 0.04 0.00 0.00 177.00 174.59 7ice s HIS 252 N -2.84 3.61 0.01 0.56 3.76 -1.26 -4.75 115.29 114.38 7ice s HIS 252 Ca 0.64 1.09 0.04 0.00 -0.15 0.00 0.00 55.06 56.68 7ice s HIS 252 Cb -0.19 -2.61 -0.03 0.00 1.11 0.00 0.00 32.58 30.86 7ice s HIS 252 CO 0.58 0.25 -0.10 1.03 -0.85 0.00 0.00 174.74 175.65 7ice s ARG 253 N 0.23 2.43 0.19 1.40 0.52 -0.09 -4.25 118.95 119.37 7ice s ARG 253 Ca 0.30 -0.79 -0.30 0.00 -0.52 0.00 0.00 55.73 54.42 7ice s ARG 253 Cb -0.17 -2.42 -0.08 0.00 0.52 0.00 0.00 34.95 32.80 7ice s ARG 253 CO 0.15 0.59 1.17 1.03 0.02 0.00 0.00 175.30 178.25 7ice s ARG 254 N -1.42 4.52 0.01 3.54 1.81 -1.26 0.04 118.95 126.19 7ice s ARG 254 Ca 0.16 1.83 -0.01 0.00 -1.72 0.00 0.00 55.73 56.00 7ice s ARG 254 Cb -0.11 -3.25 -0.01 0.00 -0.45 0.00 0.00 34.95 31.13 7ice s ARG 254 CO 0.07 -0.04 -0.00 -1.50 -0.68 0.00 0.00 175.30 173.15 7ice s ILE 255 N -0.14 0.06 -0.01 1.52 2.07 -0.97 -2.14 121.20 121.60 7ice s ILE 255 Ca 0.52 -0.51 0.04 0.00 -1.41 0.00 0.00 60.65 59.29 7ice s ILE 255 Cb -0.32 -0.17 -0.01 0.00 0.13 0.00 0.00 42.46 42.09 7ice s ILE 255 CO 0.36 -0.28 -0.14 -1.81 -1.91 0.00 0.00 174.94 171.17 7ice s ASP 256 N -0.82 1.60 -0.10 4.50 1.01 0.20 -0.21 116.67 122.84 7ice s ASP 256 Ca -0.09 -0.25 -0.00 0.00 0.71 0.00 0.00 52.55 52.92 7ice s ASP 256 Cb -0.06 -0.20 0.02 0.00 1.01 0.00 0.00 42.92 43.69 7ice s ASP 256 CO -0.00 0.16 -0.06 -0.63 0.21 0.00 0.00 175.17 174.84 7ice s ILE 257 N -0.28 0.88 -0.03 0.77 1.01 -0.38 0.18 121.20 123.36 7ice s ILE 257 Ca 0.04 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.51 7ice s ILE 257 Cb -0.06 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.50 7ice s ILE 257 CO -0.00 0.34 -0.11 0.00 0.00 0.00 0.00 174.94 175.16 7ice s ARG 258 N 1.60 1.16 0.05 2.79 3.03 -0.42 -1.33 118.95 125.83 7ice s ARG 258 Ca 0.02 -0.39 -0.30 0.00 2.03 0.00 0.00 55.73 57.09 7ice s ARG 258 Cb -0.13 -1.07 -0.04 0.00 -1.03 0.00 0.00 34.95 32.68 7ice s ARG 258 CO -0.06 0.16 1.02 -1.17 -1.13 0.00 0.00 175.30 174.12 7ice s LEU 259 N 0.11 4.41 -0.01 -1.89 2.96 0.28 0.84 118.68 125.38 7ice s LEU 259 Ca -0.03 1.79 0.02 0.00 -0.22 0.00 0.00 54.13 55.69 7ice s LEU 259 Cb -0.09 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 43.02 7ice s LEU 259 CO 0.01 -0.24 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.09 7ice s ILE 260 N 0.67 0.60 0.31 6.68 -1.09 0.70 -4.89 121.20 124.17 7ice s ILE 260 Ca 0.52 -0.31 -0.29 0.00 -2.23 0.00 0.00 60.65 58.33 7ice s ILE 260 Cb -0.24 -0.51 -0.11 0.00 -1.58 0.00 0.00 42.46 40.03 7ice s ILE 260 CO 0.29 0.17 1.49 -2.16 -1.23 0.00 0.00 174.94 173.51 7ice s PRO 261 N -0.10 4.19 0.48 2.79 0.04 -1.26 -4.21 135.00 136.92 7ice s PRO 261 Ca 0.02 2.46 0.24 0.00 0.04 0.00 0.00 61.00 63.76 7ice s PRO 261 Cb -0.04 -3.04 1.28 0.00 0.04 0.00 0.00 34.50 32.75 7ice s PRO 261 CO -0.00 -0.49 1.87 -0.22 0.04 0.00 0.00 177.00 178.19 7ice h LYS 262 N 4.26 0.20 -0.15 4.56 3.64 0.18 -1.23 116.57 128.04 7ice h LYS 262 Ca -0.48 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 7ice h LYS 262 Cb 1.22 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 7ice h LYS 262 CO 0.73 0.13 0.00 -0.40 -2.27 0.00 0.00 179.45 177.64 7ice n ASP 263 N -4.40 0.15 -0.81 4.20 5.75 -1.26 -3.27 116.55 116.90 7ice n ASP 263 Ca 0.19 -0.96 -0.04 0.00 -0.01 0.00 0.00 54.79 53.97 7ice n ASP 263 Cb 0.84 -0.07 -0.04 0.00 -1.03 0.00 0.00 41.12 40.81 7ice n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 7ice n GLN 264 N -0.27 0.00 0.00 0.11 10.64 -0.46 -4.93 117.38 122.47 7ice n GLN 264 Ca 0.00 -0.62 0.00 0.00 -1.83 0.00 0.00 57.00 54.55 7ice n GLN 264 Cb 0.04 0.28 0.00 0.00 -0.86 0.00 0.00 30.24 29.70 7ice n GLN 264 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 7ice n TYR 265 N 0.01 0.00 -0.34 2.61 9.36 -1.20 -2.54 117.16 125.05 7ice n TYR 265 Ca -0.16 0.00 0.32 0.00 3.32 0.00 0.00 57.90 61.38 7ice n TYR 265 Cb 0.63 -0.32 0.59 0.00 -0.63 0.00 0.00 39.34 39.61 7ice n TYR 265 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 7ice h TYR 266 N 0.00 0.80 -0.34 2.98 0.05 -1.93 2.18 116.97 120.71 7ice h TYR 266 Ca 0.00 0.04 -0.11 0.00 0.05 0.00 0.00 58.73 58.70 7ice h TYR 266 Cb 0.00 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 7ice h TYR 266 CO 0.14 -0.42 -0.25 0.00 -1.05 0.00 0.00 178.16 176.58 7ice h GLY 268 N 0.99 0.10 0.71 0.00 0.00 0.37 0.77 103.07 106.01 7ice h GLY 268 Ca 0.08 -0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.37 7ice h GLY 268 CO 0.06 0.09 0.45 -2.08 0.00 0.00 0.00 176.54 175.06 7ice h VAL 269 N -0.38 1.01 0.80 4.60 2.07 0.55 0.92 116.25 125.82 7ice h VAL 269 Ca 0.01 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 7ice h VAL 269 Cb 0.55 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.43 7ice h VAL 269 CO 0.01 0.15 -0.39 0.25 0.02 0.00 0.00 177.57 177.61 7ice h LEU 270 N 0.83 -0.91 -0.67 2.57 5.85 0.35 -2.57 115.31 120.75 7ice h LEU 270 Ca 0.33 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.20 7ice h LEU 270 Cb 0.18 0.24 -0.12 0.00 0.37 0.00 0.00 40.66 41.32 7ice h LEU 270 CO -0.18 -0.60 -0.37 0.22 -0.34 0.00 0.00 178.44 177.18 7ice h TYR 271 N -1.19 -1.03 0.00 1.25 3.20 -0.23 -1.45 116.97 117.51 7ice h TYR 271 Ca -0.11 0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 7ice h TYR 271 Cb 0.83 0.55 -0.00 0.00 1.54 0.00 0.00 36.73 39.64 7ice h TYR 271 CO 0.02 -0.39 -0.16 0.74 -1.64 0.00 0.00 178.16 176.72 7ice h PHE 272 N -0.14 0.00 0.00 -3.82 0.04 0.81 -2.98 116.94 110.84 7ice h PHE 272 Ca 0.24 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.98 7ice h PHE 272 Cb 0.56 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.71 7ice h PHE 272 CO -0.70 0.16 -0.14 1.15 -0.60 0.00 0.00 178.31 178.19 7ice h THR 273 N 0.00 0.41 -0.81 -1.55 2.02 -0.83 -3.29 112.91 108.86 7ice h THR 273 Ca -0.00 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.41 7ice h THR 273 Cb 0.39 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 7ice h THR 273 CO 0.02 0.13 0.00 0.61 0.37 0.00 0.00 175.52 176.65 7ice n GLY 274 N -0.18 0.92 3.81 2.16 0.00 -1.13 -4.61 105.19 106.17 7ice n GLY 274 Ca -0.00 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 7ice n GLY 274 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 7ice s SER 275 N -4.00 4.07 0.32 1.61 1.04 -1.02 -4.69 113.70 111.02 7ice s SER 275 Ca 0.00 1.09 0.08 0.00 0.48 0.00 0.00 55.95 57.60 7ice s SER 275 Cb 0.00 -1.73 0.83 0.00 0.10 0.00 0.00 66.02 65.22 7ice s SER 275 CO 0.00 -2.21 1.76 0.44 0.98 0.00 0.00 173.24 174.20 7ice h ASP 276 N -1.26 0.72 -0.75 7.02 3.32 -1.92 0.34 116.42 123.89 7ice h ASP 276 Ca -0.49 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.66 7ice h ASP 276 Cb 1.30 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.81 7ice h ASP 276 CO 0.61 0.19 0.37 0.16 -1.72 0.00 0.00 179.24 178.86 7ice h ILE 277 N 0.66 1.24 -0.43 0.35 -2.65 -1.93 -1.30 117.51 113.45 7ice h ILE 277 Ca 0.61 -0.64 -0.13 0.00 1.03 0.00 0.00 64.86 65.73 7ice h ILE 277 Cb 1.08 0.29 -0.01 0.00 -2.05 0.00 0.00 36.82 36.13 7ice h ILE 277 CO -0.42 0.27 -0.24 0.15 0.03 0.00 0.00 178.15 177.94 7ice h PHE 278 N 1.04 1.07 0.06 0.16 3.57 -0.48 -2.88 116.94 119.48 7ice h PHE 278 Ca 0.26 -0.28 0.01 0.00 3.53 0.00 0.00 57.97 61.49 7ice h PHE 278 Cb 0.09 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 7ice h PHE 278 CO 0.01 1.08 -0.33 -0.91 -2.23 0.00 0.00 178.31 175.93 7ice h ASN 279 N 0.76 -0.99 -0.49 0.41 -0.26 0.16 0.24 115.58 115.41 7ice h ASN 279 Ca 0.09 0.10 0.05 0.00 -0.56 0.00 0.00 56.30 55.99 7ice h ASN 279 Cb 0.82 0.37 -0.08 0.00 -1.06 0.00 0.00 38.32 38.37 7ice h ASN 279 CO 0.07 -0.34 -0.46 0.11 -1.06 0.00 0.00 177.43 175.75 7ice h LYS 280 N -0.46 -0.21 -0.75 0.81 1.57 -1.33 1.02 116.57 117.23 7ice h LYS 280 Ca -0.00 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.90 7ice h LYS 280 Cb 0.46 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.74 7ice h LYS 280 CO -0.18 -0.14 0.37 -0.91 -0.57 0.00 0.00 179.45 178.02 7ice h ASN 281 N -0.22 0.47 -0.86 0.86 4.21 -1.35 0.80 115.58 119.49 7ice h ASN 281 Ca 0.08 0.07 -0.02 0.00 1.21 0.00 0.00 56.30 57.64 7ice h ASN 281 Cb 0.43 -0.01 -0.04 0.00 -1.12 0.00 0.00 38.32 37.58 7ice h ASN 281 CO -0.57 0.25 0.46 -0.03 -1.29 0.00 0.00 177.43 176.24 7ice h MET 282 N 0.61 1.22 -0.42 0.81 4.05 0.62 0.12 114.93 121.93 7ice h MET 282 Ca 0.38 -0.15 0.02 0.00 -0.28 0.00 0.00 59.70 59.67 7ice h MET 282 Cb 0.43 -0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 30.97 7ice h MET 282 CO -0.29 0.90 0.24 0.00 0.23 0.00 0.00 176.91 177.99 7ice h ARG 283 N 1.21 0.47 -0.37 0.39 3.08 0.54 -0.99 114.38 118.71 7ice h ARG 283 Ca 0.30 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.22 7ice h ARG 283 Cb 0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 7ice h ARG 283 CO -0.05 0.31 -0.16 0.00 -1.07 0.00 0.00 179.97 179.01 7ice h ALA 284 N 1.20 0.51 -0.50 0.04 0.00 0.81 -2.98 119.26 118.33 7ice h ALA 284 Ca 0.17 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.75 7ice h ALA 284 Cb 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 7ice h ALA 284 CO -0.09 0.43 0.33 1.25 0.00 0.00 0.00 179.25 181.16 7ice h HIS 285 N 0.54 0.62 -0.88 0.00 -0.00 -0.50 -2.24 115.15 112.69 7ice h HIS 285 Ca 0.08 0.02 0.18 0.00 -0.00 0.00 0.00 60.37 60.65 7ice h HIS 285 Cb 0.70 -0.21 -0.11 0.00 -0.00 0.00 0.00 27.41 27.79 7ice h HIS 285 CO 0.06 0.38 0.42 0.00 -0.00 0.00 0.00 177.93 178.79 7ice h ALA 286 N 1.19 1.37 -0.80 5.26 0.00 -1.09 0.37 119.26 125.56 7ice h ALA 286 Ca 0.19 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.22 7ice h ALA 286 Cb -0.06 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 7ice h ALA 286 CO -0.05 -0.21 0.50 1.25 0.00 0.00 0.00 179.25 180.74 7ice h LEU 287 N 0.52 0.95 0.55 0.00 7.12 -1.06 0.46 115.31 123.84 7ice h LEU 287 Ca 0.51 -0.05 -0.03 0.00 0.13 0.00 0.00 57.88 58.45 7ice h LEU 287 Cb 0.86 -0.24 0.01 0.00 -0.53 0.00 0.00 40.66 40.76 7ice h LEU 287 CO -0.44 0.72 -0.27 -0.33 -0.13 0.00 0.00 178.44 177.99 7ice h GLU 288 N 1.10 -0.72 0.00 1.25 4.39 -0.42 -2.96 114.58 117.23 7ice h GLU 288 Ca 0.29 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.04 7ice h GLU 288 Cb -0.07 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 7ice h GLU 288 CO -0.06 -0.48 0.35 1.63 -1.16 0.00 0.00 179.01 179.30 7ice n LYS 289 N -4.59 0.00 -1.13 2.33 4.76 -0.38 -4.60 118.16 114.55 7ice n LYS 289 Ca -0.09 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 7ice n LYS 289 Cb 0.29 -1.85 0.00 0.00 -1.84 0.00 0.00 35.03 31.63 7ice n LYS 289 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 7ice n GLY 290 N -0.99 0.60 3.44 0.72 0.00 -0.96 -4.99 105.19 103.00 7ice n GLY 290 Ca 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 7ice n GLY 290 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 7ice s PHE 291 N -2.18 0.61 -0.02 1.61 0.08 0.16 -1.25 117.98 116.98 7ice s PHE 291 Ca 0.00 -0.93 0.02 0.00 0.12 0.00 0.00 56.93 56.15 7ice s PHE 291 Cb 0.00 -0.07 0.00 0.00 -0.57 0.00 0.00 43.02 42.38 7ice s PHE 291 CO 0.00 -0.85 -0.09 -0.08 -0.10 0.00 0.00 175.22 174.11 7ice s THR 292 N -4.05 0.73 -0.02 0.64 -1.32 0.36 -2.37 115.64 109.61 7ice s THR 292 Ca 0.27 -0.35 -0.04 0.00 -1.21 0.00 0.00 61.69 60.35 7ice s THR 292 Cb 0.02 -0.64 0.00 0.00 -1.51 0.00 0.00 72.50 70.37 7ice s THR 292 CO 0.09 0.22 0.09 -0.63 -2.21 0.00 0.00 174.62 172.18 7ice s ILE 293 N 0.07 0.04 0.15 5.08 -1.09 -1.26 -0.25 121.20 123.94 7ice s ILE 293 Ca -0.01 -0.37 -0.02 0.00 -2.23 0.00 0.00 60.65 58.03 7ice s ILE 293 Cb -0.07 -0.25 0.01 0.00 -1.58 0.00 0.00 42.46 40.57 7ice s ILE 293 CO 0.00 -0.20 0.22 -0.46 -1.23 0.00 0.00 174.94 173.27 7ice n ASN 294 N 2.31 -0.63 -0.33 3.58 2.04 -0.77 -5.01 115.26 116.45 7ice n ASN 294 Ca -0.17 -1.78 0.13 0.00 -0.44 0.00 0.00 54.58 52.32 7ice n ASN 294 Cb 0.57 1.15 0.27 0.00 -2.53 0.00 0.00 39.78 39.24 7ice n ASN 294 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 7ice h GLU 295 N 0.00 0.02 0.00 -3.83 9.09 -1.98 -3.07 114.58 114.81 7ice h GLU 295 Ca -0.12 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.29 7ice h GLU 295 Cb 0.50 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 7ice h GLU 295 CO 0.16 0.01 -1.46 0.66 0.05 0.00 0.00 179.01 178.44 7ice n TYR 296 N -5.48 0.00 -3.83 2.06 4.01 -1.26 -2.14 117.16 110.51 7ice n TYR 296 Ca 0.22 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.90 7ice n TYR 296 Cb 0.71 -0.26 0.01 0.00 -0.31 0.00 0.00 39.34 39.49 7ice n TYR 296 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 7ice s THR 297 N -3.04 0.00 -0.06 -0.72 -4.23 -1.16 -4.63 115.64 101.80 7ice s THR 297 Ca -0.02 -0.77 0.03 0.00 -1.18 0.00 0.00 61.69 59.76 7ice s THR 297 Cb 0.12 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.31 7ice s THR 297 CO 0.74 0.00 -0.16 -0.51 -0.54 0.00 0.00 174.62 174.15 7ice s ILE 298 N -2.55 1.40 -0.04 2.99 2.07 -1.26 -1.84 121.20 121.97 7ice s ILE 298 Ca 0.17 -0.66 0.03 0.00 -1.41 0.00 0.00 60.65 58.78 7ice s ILE 298 Cb -0.03 -1.23 0.01 0.00 0.13 0.00 0.00 42.46 41.33 7ice s ILE 298 CO 0.07 0.41 -0.11 -0.13 -1.91 0.00 0.00 174.94 173.27 7ice s ARG 299 N 0.34 1.32 0.15 3.50 0.52 0.65 -0.40 118.95 125.02 7ice s ARG 299 Ca -0.11 -0.38 -0.31 0.00 -0.52 0.00 0.00 55.73 54.41 7ice s ARG 299 Cb -0.14 -1.16 -0.11 0.00 0.52 0.00 0.00 34.95 34.06 7ice s ARG 299 CO 0.04 0.10 1.74 -1.25 0.02 0.00 0.00 175.30 175.94 7ice s PRO 300 N 0.35 4.15 -0.10 3.54 0.04 -1.26 -0.49 135.00 141.23 7ice s PRO 300 Ca -0.07 2.53 -0.24 0.00 0.04 0.00 0.00 61.00 63.26 7ice s PRO 300 Cb -0.12 -3.37 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 7ice s PRO 300 CO 0.02 -0.77 0.76 -1.17 0.04 0.00 0.00 177.00 175.88 7ice s LEU 301 N 2.00 4.26 0.00 -3.56 2.96 -0.38 -4.44 118.68 119.53 7ice s LEU 301 Ca 0.76 1.19 -0.16 0.00 -0.22 0.00 0.00 54.13 55.71 7ice s LEU 301 Cb -0.46 -3.15 0.23 0.00 0.50 0.00 0.00 46.19 43.30 7ice s LEU 301 CO 0.34 -0.23 1.13 0.61 -1.32 0.00 0.00 176.35 176.88 7ice n GLY 302 N 3.26 -1.87 0.03 7.98 0.00 -1.26 -4.84 105.19 108.48 7ice n GLY 302 Ca 0.01 -1.64 0.02 0.00 0.00 0.00 0.00 46.02 44.41 7ice n GLY 302 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 7ice n VAL 303 N -3.96 0.31 0.00 1.61 3.14 -1.26 -4.48 118.33 113.69 7ice n VAL 303 Ca 0.15 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 7ice n VAL 303 Cb 0.52 -0.14 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 7ice n VAL 303 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 7ice n THR 304 N -2.13 1.13 0.00 1.55 -2.24 -1.26 -4.59 114.28 106.73 7ice n THR 304 Ca -0.09 0.50 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 7ice n THR 304 Cb 0.54 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 7ice n THR 304 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 7ice n GLY 305 N -1.28 1.10 1.30 3.38 0.00 -1.26 -5.08 105.19 103.35 7ice n GLY 305 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 7ice n GLY 305 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 7ice n VAL 306 N 0.00 0.00 0.00 1.61 0.24 -1.26 -4.82 118.33 114.10 7ice n VAL 306 Ca 0.00 -0.94 0.00 0.00 -2.04 0.00 0.00 64.34 61.36 7ice n VAL 306 Cb 0.00 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 7ice n VAL 306 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 7ice n ALA 307 N -2.20 0.00 -2.68 2.33 0.00 -1.26 -4.23 120.51 112.48 7ice n ALA 307 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 7ice n ALA 307 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 7ice n ALA 307 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 7ice n GLY 308 N -0.52 3.04 0.00 0.00 0.00 -1.26 -4.26 105.19 102.19 7ice n GLY 308 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 7ice n GLY 308 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 7ice n GLU 309 N -0.31 0.00 -1.42 1.61 4.71 -1.26 -4.68 120.64 119.28 7ice n GLU 309 Ca 0.00 0.00 -0.55 0.00 -0.01 0.00 0.00 57.16 56.60 7ice n GLU 309 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 31.44 30.34 7ice n GLU 309 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 7ice n PRO 310 N 0.49 0.76 -2.37 3.49 -0.02 -1.26 -4.11 135.00 131.97 7ice n PRO 310 Ca 0.00 0.22 -0.39 0.00 -2.02 0.00 0.00 63.50 61.31 7ice n PRO 310 Cb 0.00 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 7ice n PRO 310 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 7ice s LEU 311 N 6.39 4.33 -0.28 2.45 1.02 0.46 -4.95 118.68 128.10 7ice s LEU 311 Ca 1.11 2.32 -0.18 0.00 0.02 0.00 0.00 54.13 57.40 7ice s LEU 311 Cb -1.08 -3.87 -0.02 0.00 0.02 0.00 0.00 46.19 41.23 7ice s LEU 311 CO 0.57 -0.46 0.54 -2.16 0.02 0.00 0.00 176.35 174.85 7ice s PRO 312 N -1.99 3.99 -0.11 1.29 0.04 -1.26 -4.59 135.00 132.37 7ice s PRO 312 Ca 0.52 0.27 -0.02 0.00 0.04 0.00 0.00 61.00 61.81 7ice s PRO 312 Cb -0.31 -3.68 -0.03 0.00 0.04 0.00 0.00 34.50 30.52 7ice s PRO 312 CO 0.39 -0.42 -0.04 0.08 0.04 0.00 0.00 177.00 177.06 7ice s VAL 313 N 2.37 3.96 0.00 -0.36 1.01 -1.26 -5.02 120.40 121.10 7ice s VAL 313 Ca 0.22 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.84 7ice s VAL 313 Cb -0.15 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.54 7ice s VAL 313 CO 0.10 0.55 0.34 0.47 0.00 0.00 0.00 175.10 176.56 7ice n ASP 314 N 2.79 0.67 -3.61 3.32 9.92 -1.26 -4.94 116.55 123.44 7ice n ASP 314 Ca -0.18 -0.85 -0.02 0.00 -0.53 0.00 0.00 54.79 53.22 7ice n ASP 314 Cb 0.53 0.28 -0.01 0.00 -0.64 0.00 0.00 41.12 41.28 7ice n ASP 314 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 7ice s SER 315 N -0.28 -0.09 0.57 -2.24 0.15 -1.26 -4.99 113.70 105.55 7ice s SER 315 Ca 0.00 -0.05 0.29 0.00 0.70 0.00 0.00 55.95 56.89 7ice s SER 315 Cb 0.00 0.14 1.57 0.00 -1.71 0.00 0.00 66.02 66.02 7ice s SER 315 CO 0.00 -0.24 1.87 -0.33 1.20 0.00 0.00 173.24 175.74 7ice h GLU 316 N 2.00 0.00 0.63 5.44 5.08 -1.98 -1.71 114.58 124.04 7ice h GLU 316 Ca -0.17 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 7ice h GLU 316 Cb 1.18 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.43 7ice h GLU 316 CO 0.25 0.00 -0.30 -0.22 -1.00 0.00 0.00 179.01 177.73 7ice h LYS 317 N 0.00 -0.82 -0.90 2.33 1.63 -1.98 -3.02 116.57 113.81 7ice h LYS 317 Ca 0.00 0.06 0.24 0.00 -0.85 0.00 0.00 60.65 60.10 7ice h LYS 317 Cb 0.46 0.19 -0.14 0.00 -0.60 0.00 0.00 32.23 32.14 7ice h LYS 317 CO 0.00 -0.50 0.32 -0.44 -3.45 0.00 0.00 179.45 175.38 7ice h ASP 318 N -1.05 0.15 0.57 4.20 3.32 -1.70 -0.85 116.42 121.07 7ice h ASP 318 Ca -0.09 0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 7ice h ASP 318 Cb 0.70 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.46 7ice h ASP 318 CO 0.14 -0.11 -0.31 0.40 -1.72 0.00 0.00 179.24 177.64 7ice h ILE 319 N 0.27 0.00 -0.56 0.35 2.04 -1.58 -2.21 117.51 115.82 7ice h ILE 319 Ca 0.58 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.54 7ice h ILE 319 Cb 1.17 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.15 7ice h ILE 319 CO -0.62 0.00 -0.35 -0.26 0.00 0.00 0.00 178.15 176.92 7ice h PHE 320 N -0.81 -0.99 -0.97 1.37 -1.00 -1.22 -1.39 116.94 111.93 7ice h PHE 320 Ca -0.08 0.07 0.10 0.00 2.81 0.00 0.00 57.97 60.88 7ice h PHE 320 Cb 0.64 0.51 -0.13 0.00 3.61 0.00 0.00 35.95 40.58 7ice h PHE 320 CO 0.03 -0.39 -0.54 -0.44 -1.61 0.00 0.00 178.31 175.36 7ice h ASP 321 N -0.19 -1.98 -0.78 2.17 3.32 -1.17 0.45 116.42 118.25 7ice h ASP 321 Ca 0.21 0.32 0.12 0.00 0.02 0.00 0.00 57.03 57.71 7ice h ASP 321 Cb 0.55 0.90 -0.13 0.00 0.22 0.00 0.00 39.33 40.87 7ice h ASP 321 CO -0.66 -0.25 -0.38 1.88 -1.72 0.00 0.00 179.24 178.11 7ice h TYR 322 N -0.02 -1.07 -0.07 4.55 0.05 -0.61 2.87 116.97 122.68 7ice h TYR 322 Ca 0.20 0.09 0.00 0.00 0.05 0.00 0.00 58.73 59.07 7ice h TYR 322 Cb 0.46 0.58 0.00 0.00 1.01 0.00 0.00 36.73 38.78 7ice h TYR 322 CO -0.98 -0.40 0.00 0.44 -1.05 0.00 0.00 178.16 176.18 7ice n ILE 323 N -5.44 0.10 -3.07 -2.88 -5.35 0.88 -4.92 119.36 98.67 7ice n ILE 323 Ca 0.06 -0.11 -0.17 0.00 -0.27 0.00 0.00 62.75 62.26 7ice n ILE 323 Cb 0.37 -0.01 0.02 0.00 -1.74 0.00 0.00 39.64 38.28 7ice n ILE 323 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 7ice n GLN 324 N -0.33 -2.22 -4.05 6.28 10.64 0.96 -4.87 117.38 123.80 7ice n GLN 324 Ca 0.08 1.88 -0.10 0.00 -1.83 0.00 0.00 57.00 57.03 7ice n GLN 324 Cb 0.10 -4.13 -0.07 0.00 -0.86 0.00 0.00 30.24 25.28 7ice n GLN 324 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.06 174.77 7ice s TRP 325 N -2.01 0.58 -0.27 2.61 -0.00 -0.89 -4.95 118.94 114.01 7ice s TRP 325 Ca 0.25 -0.90 -0.29 0.00 -0.00 0.00 0.00 56.10 55.15 7ice s TRP 325 Cb -0.05 -0.03 -0.00 0.00 -0.00 0.00 0.00 33.47 33.39 7ice s TRP 325 CO 0.75 -0.88 1.31 -1.59 -0.00 0.00 0.00 176.95 176.54 7ice s LYS 326 N -4.05 3.97 0.18 5.86 -2.85 -1.26 -4.45 119.74 117.13 7ice s LYS 326 Ca 0.27 1.34 -0.33 0.00 -1.00 0.00 0.00 55.97 56.25 7ice s LYS 326 Cb 0.02 -3.87 -0.13 0.00 -2.06 0.00 0.00 37.83 31.80 7ice s LYS 326 CO 0.09 -1.06 1.69 0.98 0.10 0.00 0.00 175.35 177.16 7ice n TYR 327 N 7.48 2.58 -3.76 1.78 9.36 -1.26 -4.92 117.16 128.42 7ice n TYR 327 Ca 0.15 0.09 -0.36 0.00 3.32 0.00 0.00 57.90 61.10 7ice n TYR 327 Cb 0.46 -2.64 -0.11 0.00 -0.63 0.00 0.00 39.34 36.43 7ice n TYR 327 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 7ice s ARG 328 N 1.27 3.89 0.54 2.98 0.52 -1.26 -5.06 118.95 121.82 7ice s ARG 328 Ca 0.77 -0.37 -0.21 0.00 -0.52 0.00 0.00 55.73 55.40 7ice s ARG 328 Cb -0.56 -3.42 -0.05 0.00 0.52 0.00 0.00 34.95 31.44 7ice s ARG 328 CO 0.35 -0.02 1.30 -1.21 0.02 0.00 0.00 175.30 175.73 7ice s GLU 329 N 1.23 3.23 0.57 3.54 2.02 -1.26 -4.82 118.70 123.22 7ice s GLU 329 Ca 0.06 2.08 0.28 0.00 0.02 0.00 0.00 54.97 57.41 7ice s GLU 329 Cb -0.14 -2.24 1.72 0.00 0.10 0.00 0.00 34.13 33.57 7ice s GLU 329 CO 0.05 -1.07 2.22 -1.35 0.02 0.00 0.00 175.26 175.13 7ice h PRO 330 N 1.49 0.00 -0.48 0.39 0.11 -1.92 -1.84 132.00 129.74 7ice h PRO 330 Ca -0.50 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.65 7ice h PRO 330 Cb 1.29 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 7ice h PRO 330 CO 0.57 0.02 0.24 -0.22 -0.21 0.00 0.00 178.00 178.40 7ice h LYS 331 N 0.00 0.45 -0.91 1.05 3.11 -1.75 -1.84 116.57 116.67 7ice h LYS 331 Ca -0.00 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 57.74 7ice h LYS 331 Cb 0.05 -0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 31.14 7ice h LYS 331 CO 0.00 0.30 0.09 -0.40 -2.81 0.00 0.00 179.45 176.64 7ice n ASP 332 N -4.90 2.91 -0.77 4.20 5.68 -0.70 -3.83 116.55 119.14 7ice n ASP 332 Ca 0.04 -2.42 0.06 0.00 -0.50 0.00 0.00 54.79 51.96 7ice n ASP 332 Cb 0.13 -0.59 0.18 0.00 -1.14 0.00 0.00 41.12 39.70 7ice n ASP 332 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 7ice n ARG 333 N 0.10 2.03 0.00 0.11 5.12 -0.69 -4.56 116.66 118.77 7ice n ARG 333 Ca 0.14 -1.43 0.00 0.00 -1.93 0.00 0.00 57.85 54.64 7ice n ARG 333 Cb 0.72 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 30.65 7ice n ARG 333 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 7ice n SER 334 N 0.60 0.00 0.00 0.55 7.64 -1.25 -2.45 113.62 118.72 7ice n SER 334 Ca 0.13 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.65 7ice n SER 334 Cb 0.37 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 7ice n SER 334 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19