#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1za1 s ASN 2 N 0.00 4.97 0.33 0.00 2.20 0.39 -4.90 114.94 117.93 1za1 s ASN 2 Ca 0.00 1.93 0.22 0.00 -0.94 0.00 0.00 52.86 54.06 1za1 s ASN 2 Cb 0.00 -2.54 1.18 0.00 -2.00 0.00 0.00 41.25 37.89 1za1 s ASN 2 CO 0.00 -1.72 1.66 -2.65 -2.94 0.00 0.00 177.10 171.45 1za1 n PRO 3 N -2.75 0.14 -0.06 3.55 -0.02 -1.26 -1.94 135.00 132.66 1za1 n PRO 3 Ca 0.10 0.64 0.08 0.00 -2.02 0.00 0.00 63.50 62.29 1za1 n PRO 3 Cb 0.52 -1.98 0.10 0.00 -0.02 0.00 0.00 33.50 32.13 1za1 n PRO 3 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1za1 n LEU 4 N -2.26 2.50 -4.71 2.45 4.77 -1.26 -4.90 117.00 113.58 1za1 n LEU 4 Ca -0.01 -1.24 -0.42 0.00 -0.03 0.00 0.00 56.01 54.30 1za1 n LEU 4 Cb 0.05 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1za1 n LEU 4 CO 0.10 0.51 1.33 -0.47 -1.33 0.00 0.00 177.39 177.53 1za1 s TYR 5 N -1.19 2.86 -1.66 -1.77 5.04 -0.82 -2.09 117.35 117.71 1za1 s TYR 5 Ca 0.21 0.40 0.00 0.00 -2.44 0.00 0.00 57.07 55.24 1za1 s TYR 5 Cb 0.13 -4.07 0.00 0.00 0.35 0.00 0.00 41.96 38.38 1za1 s TYR 5 CO 0.19 -4.06 0.00 1.04 -1.34 0.00 0.00 175.55 171.38 1za1 n GLN 6 N 4.23 -1.38 -3.56 4.97 1.13 -0.03 -4.98 117.38 117.76 1za1 n GLN 6 Ca 0.15 0.94 -0.31 0.00 -1.94 0.00 0.00 57.00 55.84 1za1 n GLN 6 Cb 0.37 -5.23 -0.05 0.00 0.11 0.00 0.00 30.24 25.44 1za1 n GLN 6 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1za1 s LYS 7 N -3.31 3.66 0.44 -1.09 -0.14 -0.89 -4.79 119.74 113.63 1za1 s LYS 7 Ca 0.00 0.01 -0.21 0.00 -1.36 0.00 0.00 55.97 54.41 1za1 s LYS 7 Cb 0.00 -2.76 -0.11 0.00 -1.68 0.00 0.00 37.83 33.28 1za1 s LYS 7 CO 0.00 0.39 0.96 -1.01 -0.76 0.00 0.00 175.35 174.92 1za1 s HIS 8 N -1.77 3.29 -0.53 3.18 3.76 -1.26 -4.66 115.29 117.30 1za1 s HIS 8 Ca 0.43 1.61 0.04 0.00 -0.15 0.00 0.00 55.06 56.98 1za1 s HIS 8 Cb -0.12 -2.86 0.14 0.00 1.11 0.00 0.00 32.58 30.85 1za1 s HIS 8 CO 0.25 -0.16 0.28 0.42 -0.85 0.00 0.00 174.74 174.68 1za1 s ILE 9 N -2.17 2.39 -0.14 0.60 -1.09 -0.34 -4.93 121.20 115.51 1za1 s ILE 9 Ca 0.62 -3.30 0.05 0.00 -2.23 0.00 0.00 60.65 55.79 1za1 s ILE 9 Cb -0.10 -2.65 -0.12 0.00 -1.58 0.00 0.00 42.46 38.01 1za1 s ILE 9 CO 0.14 -0.85 -0.07 -0.38 -1.23 0.00 0.00 174.94 172.55 1za1 n ILE 10 N 3.04 0.88 -3.82 2.92 -0.00 -1.26 -1.33 119.36 119.80 1za1 n ILE 10 Ca 0.08 -0.41 -0.12 0.00 -0.00 0.00 0.00 62.75 62.29 1za1 n ILE 10 Cb 0.33 -0.92 -0.11 0.00 -0.00 0.00 0.00 39.64 38.94 1za1 n ILE 10 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1za1 s SER 11 N -5.16 -0.14 0.47 4.38 0.15 -1.26 -4.64 113.70 107.50 1za1 s SER 11 Ca -0.16 0.19 0.20 0.00 0.70 0.00 0.00 55.95 56.88 1za1 s SER 11 Cb 0.05 0.35 1.16 0.00 -1.71 0.00 0.00 66.02 65.87 1za1 s SER 11 CO 0.41 -0.22 2.01 -0.29 1.20 0.00 0.00 173.24 176.35 1za1 h ILE 12 N 4.51 0.90 0.00 6.45 6.09 -1.94 -0.39 117.51 133.12 1za1 h ILE 12 Ca -0.28 -0.67 0.00 0.00 -1.37 0.00 0.00 64.86 62.54 1za1 h ILE 12 Cb 1.19 1.39 0.00 0.00 0.47 0.00 0.00 36.82 39.87 1za1 h ILE 12 CO 0.38 0.18 0.00 0.59 -3.07 0.00 0.00 178.15 176.23 1za1 n ASN 13 N -3.99 0.23 -0.32 2.19 5.03 -1.26 -1.75 115.26 115.39 1za1 n ASN 13 Ca -0.02 0.56 0.11 0.00 0.87 0.00 0.00 54.58 56.10 1za1 n ASN 13 Cb 0.26 -0.61 0.01 0.00 -1.02 0.00 0.00 39.78 38.42 1za1 n ASN 13 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1za1 n ASP 14 N -1.76 1.60 -4.78 6.41 8.00 -0.16 -4.91 116.55 120.95 1za1 n ASP 14 Ca 0.03 -1.27 -0.36 0.00 0.71 0.00 0.00 54.79 53.90 1za1 n ASP 14 Cb 0.17 0.58 -0.08 0.00 -0.02 0.00 0.00 41.12 41.77 1za1 n ASP 14 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1za1 s LEU 15 N -2.65 4.08 0.56 0.64 1.43 -0.72 -5.04 118.68 116.99 1za1 s LEU 15 Ca 0.16 0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 53.55 1za1 s LEU 15 Cb 0.18 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.43 1za1 s LEU 15 CO 0.66 0.35 0.82 -0.94 0.23 0.00 0.00 176.35 177.46 1za1 s SER 16 N -0.67 5.39 0.25 2.29 1.04 -1.26 -4.91 113.70 115.84 1za1 s SER 16 Ca 0.12 0.29 -0.03 0.00 0.48 0.00 0.00 55.95 56.81 1za1 s SER 16 Cb -0.12 -1.25 0.42 0.00 0.10 0.00 0.00 66.02 65.18 1za1 s SER 16 CO 0.02 -1.10 1.82 -0.09 0.98 0.00 0.00 173.24 174.88 1za1 h ARG 17 N -0.02 0.85 -0.35 4.02 2.43 -1.97 -0.69 114.38 118.66 1za1 h ARG 17 Ca -0.44 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 58.56 1za1 h ARG 17 Cb 1.28 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1za1 h ARG 17 CO 0.57 0.56 -0.27 -0.44 -1.51 0.00 0.00 179.97 178.88 1za1 h ASP 18 N 0.88 0.73 0.04 -3.80 3.32 -1.98 -1.18 116.42 114.43 1za1 h ASP 18 Ca 0.42 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 57.20 1za1 h ASP 18 Cb 0.35 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1za1 h ASP 18 CO -0.24 0.96 -0.07 0.44 -1.72 0.00 0.00 179.24 178.61 1za1 h ASP 19 N 0.62 -0.21 -0.30 6.45 3.32 -1.64 0.61 116.42 125.28 1za1 h ASP 19 Ca 0.08 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.19 1za1 h ASP 19 Cb 0.77 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.37 1za1 h ASP 19 CO 0.06 -0.11 0.09 -0.07 -1.72 0.00 0.00 179.24 177.49 1za1 h LEU 20 N -0.15 0.09 -1.29 1.55 3.38 -1.00 -0.89 115.31 116.99 1za1 h LEU 20 Ca 0.02 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1za1 h LEU 20 Cb 0.17 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1za1 h LEU 20 CO -0.05 0.08 0.18 0.78 0.09 0.00 0.00 178.44 179.53 1za1 h ASN 21 N 0.22 0.60 -0.49 -0.43 -0.26 -0.97 -0.37 115.58 113.89 1za1 h ASN 21 Ca 0.13 -0.07 -0.05 0.00 -0.56 0.00 0.00 56.30 55.75 1za1 h ASN 21 Cb 0.11 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 1za1 h ASN 21 CO -0.15 0.55 0.11 0.25 -1.06 0.00 0.00 177.43 177.13 1za1 h LEU 22 N 0.66 0.75 -0.30 1.61 5.85 -0.05 0.18 115.31 124.01 1za1 h LEU 22 Ca 0.16 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1za1 h LEU 22 Cb 0.14 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1za1 h LEU 22 CO -0.02 0.79 0.01 0.58 -0.34 0.00 0.00 178.44 179.46 1za1 h VAL 23 N 0.67 1.25 0.00 1.05 2.07 -0.72 -1.45 116.25 119.12 1za1 h VAL 23 Ca 0.15 -0.93 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 1za1 h VAL 23 Cb 0.35 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1za1 h VAL 23 CO 0.00 0.30 -0.40 -0.07 0.02 0.00 0.00 177.57 177.42 1za1 h LEU 24 N 0.32 0.00 -0.32 2.57 3.38 -0.87 -1.04 115.31 119.35 1za1 h LEU 24 Ca 0.09 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 1za1 h LEU 24 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1za1 h LEU 24 CO 0.01 0.40 -0.64 0.00 0.09 0.00 0.00 178.44 178.31 1za1 h ALA 25 N 1.60 0.48 -0.34 1.53 0.00 -0.50 -2.28 119.26 119.75 1za1 h ALA 25 Ca -0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 1za1 h ALA 25 Cb 0.74 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1za1 h ALA 25 CO 0.05 0.69 -0.20 1.15 0.00 0.00 0.00 179.25 180.95 1za1 h THR 26 N 0.54 1.26 -0.72 0.00 2.02 -1.05 -2.70 112.91 112.26 1za1 h THR 26 Ca -0.01 -1.25 -0.03 0.00 0.77 0.00 0.00 66.41 65.89 1za1 h THR 26 Cb 1.23 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.83 1za1 h THR 26 CO 0.13 0.41 0.32 0.00 0.37 0.00 0.00 175.52 176.75 1za1 h ALA 27 N 1.21 0.93 -0.48 6.16 0.00 -0.99 -0.81 119.26 125.29 1za1 h ALA 27 Ca 0.09 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1za1 h ALA 27 Cb 0.66 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1za1 h ALA 27 CO 0.05 0.53 -0.12 0.00 0.00 0.00 0.00 179.25 179.71 1za1 h ALA 28 N 1.15 0.90 -0.20 0.00 0.00 -1.28 -0.59 119.26 119.24 1za1 h ALA 28 Ca 0.24 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1za1 h ALA 28 Cb 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1za1 h ALA 28 CO -0.03 0.63 0.05 0.87 0.00 0.00 0.00 179.25 180.78 1za1 h LYS 29 N 0.79 0.32 -0.01 0.00 1.57 -1.14 0.19 116.57 118.28 1za1 h LYS 29 Ca 0.13 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1za1 h LYS 29 Cb 0.64 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1za1 h LYS 29 CO 0.04 0.44 -0.33 -0.07 -0.57 0.00 0.00 179.45 178.96 1za1 h LEU 30 N 0.14 0.02 -0.32 2.94 3.38 -0.98 1.55 115.31 122.04 1za1 h LEU 30 Ca 0.06 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1za1 h LEU 30 Cb 0.27 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1za1 h LEU 30 CO 0.00 0.36 -0.22 0.50 0.09 0.00 0.00 178.44 179.17 1za1 h LYS 31 N 0.02 0.70 0.10 1.13 3.64 -0.83 -2.94 116.57 118.39 1za1 h LYS 31 Ca 0.00 -0.33 -0.27 0.00 -1.27 0.00 0.00 60.65 58.77 1za1 h LYS 31 Cb 0.60 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1za1 h LYS 31 CO 0.04 0.94 -1.18 0.00 -2.27 0.00 0.00 179.45 176.98 1za1 h ALA 32 N 0.75 0.12 -3.02 5.00 0.00 -0.16 -3.41 119.26 118.54 1za1 h ALA 32 Ca 0.06 -0.81 -0.61 0.00 0.00 0.00 0.00 54.91 53.56 1za1 h ALA 32 Cb 0.77 0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.20 1za1 h ALA 32 CO 0.06 0.84 -0.74 1.21 0.00 0.00 0.00 179.25 180.62 1za1 s ASN 33 N -7.24 3.71 0.37 0.00 3.04 0.52 -5.08 114.94 110.27 1za1 s ASN 33 Ca -0.06 -2.50 -0.27 0.00 0.04 0.00 0.00 52.86 50.07 1za1 s ASN 33 Cb 0.07 -1.02 -0.10 0.00 -1.54 0.00 0.00 41.25 38.66 1za1 s ASN 33 CO 0.90 -0.29 1.32 -2.84 -3.04 0.00 0.00 177.10 173.15 1za1 s PRO 34 N 0.52 4.14 -0.63 0.43 0.02 -1.11 -4.25 135.00 134.11 1za1 s PRO 34 Ca 0.17 2.21 0.06 0.00 0.02 0.00 0.00 61.00 63.46 1za1 s PRO 34 Cb -0.24 -2.90 0.24 0.00 0.02 0.00 0.00 34.50 31.62 1za1 s PRO 34 CO -0.02 -0.37 0.69 1.04 -0.33 0.00 0.00 177.00 178.00 1za1 n GLN 35 N 0.42 2.27 0.00 5.54 1.13 -1.26 -4.95 117.38 120.52 1za1 n GLN 35 Ca 0.02 -4.53 0.01 0.00 -1.94 0.00 0.00 57.00 50.56 1za1 n GLN 35 Cb 0.42 -2.19 0.04 0.00 0.11 0.00 0.00 30.24 28.63 1za1 n GLN 35 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1za1 n PRO 36 N 1.10 0.04 0.00 -1.09 -0.04 -1.24 -1.81 135.00 131.96 1za1 n PRO 36 Ca 0.28 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1za1 n PRO 36 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1za1 n PRO 36 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1za1 n GLU 37 N -1.08 0.01 -0.30 0.54 4.07 -1.25 -2.26 120.64 120.37 1za1 n GLU 37 Ca 0.01 -0.69 0.08 0.00 -0.06 0.00 0.00 57.16 56.51 1za1 n GLU 37 Cb 0.01 -0.95 0.24 0.00 -0.06 0.00 0.00 31.44 30.68 1za1 n GLU 37 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1za1 h LEU 38 N 0.00 0.53 -3.39 4.31 5.85 -1.09 -2.23 115.31 119.30 1za1 h LEU 38 Ca 0.00 0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.68 1za1 h LEU 38 Cb 0.18 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 1za1 h LEU 38 CO 0.00 0.21 0.03 0.18 -0.34 0.00 0.00 178.44 178.52 1za1 n LEU 39 N -4.88 4.36 -4.77 2.25 4.77 0.11 -5.01 117.00 113.83 1za1 n LEU 39 Ca 0.18 -3.41 -0.40 0.00 -0.03 0.00 0.00 56.01 52.35 1za1 n LEU 39 Cb 0.46 -0.62 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1za1 n LEU 39 CO 0.20 0.97 1.09 -1.59 -1.33 0.00 0.00 177.39 176.74 1za1 s LYS 40 N -3.06 3.81 0.00 3.23 -2.85 -0.84 -1.55 119.74 118.48 1za1 s LYS 40 Ca 0.45 2.48 0.00 0.00 -1.00 0.00 0.00 55.97 57.90 1za1 s LYS 40 Cb 0.39 -2.75 0.00 0.00 -2.06 0.00 0.00 37.83 33.41 1za1 s LYS 40 CO 0.05 -0.74 0.00 0.72 0.10 0.00 0.00 175.35 175.49 1za1 n HIS 41 N 0.00 0.00 -3.36 1.78 8.25 -1.26 -4.97 115.22 115.66 1za1 n HIS 41 Ca 0.04 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.11 1za1 n HIS 41 Cb 0.41 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.46 1za1 n HIS 41 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1za1 s LYS 42 N -0.16 4.10 -0.11 -0.41 -0.14 -0.60 -5.00 119.74 117.42 1za1 s LYS 42 Ca 0.00 0.61 0.01 0.00 -1.36 0.00 0.00 55.97 55.23 1za1 s LYS 42 Cb 0.00 -3.24 -0.01 0.00 -1.68 0.00 0.00 37.83 32.90 1za1 s LYS 42 CO 0.00 0.65 -0.16 0.08 -0.76 0.00 0.00 175.35 175.16 1za1 s VAL 43 N -1.05 2.80 0.00 3.17 1.01 -1.26 -1.87 120.40 123.20 1za1 s VAL 43 Ca 0.27 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.56 1za1 s VAL 43 Cb -0.18 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1za1 s VAL 43 CO 0.17 0.54 -0.23 -0.63 0.00 0.00 0.00 175.10 174.95 1za1 s ILE 44 N 0.23 1.82 -0.20 2.22 1.01 -0.42 -0.98 121.20 124.87 1za1 s ILE 44 Ca -0.10 -1.06 -0.12 0.00 0.00 0.00 0.00 60.65 59.37 1za1 s ILE 44 Cb -0.16 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 1za1 s ILE 44 CO 0.06 0.44 0.20 0.00 0.00 0.00 0.00 174.94 175.64 1za1 s ALA 45 N -0.61 3.63 -0.73 9.38 0.00 -0.05 -1.89 121.76 131.49 1za1 s ALA 45 Ca 0.09 -0.67 -0.06 0.00 0.00 0.00 0.00 51.96 51.32 1za1 s ALA 45 Cb -0.09 -2.30 0.19 0.00 0.00 0.00 0.00 23.12 20.92 1za1 s ALA 45 CO -0.00 0.02 0.59 0.45 0.00 0.00 0.00 175.76 176.82 1za1 s SER 46 N 0.62 5.81 -0.82 0.00 0.15 -0.17 0.50 113.70 119.79 1za1 s SER 46 Ca 0.11 -2.93 -0.15 0.00 0.70 0.00 0.00 55.95 53.68 1za1 s SER 46 Cb -0.12 -1.97 0.20 0.00 -1.71 0.00 0.00 66.02 62.41 1za1 s SER 46 CO 0.02 -0.40 0.81 0.00 1.20 0.00 0.00 173.24 174.87 1za1 s PHE 48 N 0.71 4.15 0.55 0.00 0.40 -0.41 -1.81 117.98 121.57 1za1 s PHE 48 Ca 0.19 -2.55 0.25 0.00 -0.60 0.00 0.00 56.93 54.23 1za1 s PHE 48 Cb -0.11 -3.86 1.47 0.00 0.51 0.00 0.00 43.02 41.04 1za1 s PHE 48 CO -0.08 -0.98 2.05 0.74 0.70 0.00 0.00 175.22 177.65 1za1 h PHE 49 N 6.89 0.00 -3.27 0.36 0.04 -1.52 0.83 116.94 120.26 1za1 h PHE 49 Ca 0.17 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.28 1za1 h PHE 49 Cb 0.90 0.00 -0.31 0.00 2.20 0.00 0.00 35.95 38.75 1za1 h PHE 49 CO 0.82 0.00 -0.78 -2.00 -0.60 0.00 0.00 178.31 175.75 1za1 s GLU 50 N -4.87 3.23 0.33 1.51 2.12 -1.11 -4.03 118.70 115.88 1za1 s GLU 50 Ca -0.05 -0.71 -0.29 0.00 0.36 0.00 0.00 54.97 54.29 1za1 s GLU 50 Cb 0.17 -2.83 -0.11 0.00 0.26 0.00 0.00 34.13 31.63 1za1 s GLU 50 CO 0.65 -0.19 1.49 0.00 -0.54 0.00 0.00 175.26 176.66 1za1 s ALA 51 N 1.37 3.62 -0.48 6.30 0.00 -1.24 -4.61 121.76 126.72 1za1 s ALA 51 Ca 0.05 1.50 0.07 0.00 0.00 0.00 0.00 51.96 53.58 1za1 s ALA 51 Cb -0.14 -3.60 0.19 0.00 0.00 0.00 0.00 23.12 19.57 1za1 s ALA 51 CO -0.07 -0.95 0.71 0.45 0.00 0.00 0.00 175.76 175.90 1za1 s SER 52 N 0.04 -1.44 0.19 0.00 0.15 -1.26 -4.94 113.70 106.44 1za1 s SER 52 Ca 0.56 -1.36 -0.18 0.00 0.70 0.00 0.00 55.95 55.67 1za1 s SER 52 Cb -0.45 1.87 0.15 0.00 -1.71 0.00 0.00 66.02 65.87 1za1 s SER 52 CO 0.55 -0.09 1.61 0.74 1.20 0.00 0.00 173.24 177.26 1za1 h THR 53 N 4.92 0.30 -0.46 6.45 2.02 -1.99 -0.26 112.91 123.89 1za1 h THR 53 Ca 0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1za1 h THR 53 Cb 1.14 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1za1 h THR 53 CO 0.04 0.00 0.31 -0.09 0.37 0.00 0.00 175.52 176.14 1za1 h ARG 54 N -0.11 0.61 -0.35 6.66 2.43 -1.99 -0.47 114.38 121.16 1za1 h ARG 54 Ca 0.24 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.22 1za1 h ARG 54 Cb 0.49 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1za1 h ARG 54 CO -0.60 0.40 -0.41 1.15 -1.51 0.00 0.00 179.97 178.99 1za1 h THR 55 N 0.63 1.28 -0.13 0.20 2.02 -1.87 -1.95 112.91 113.09 1za1 h THR 55 Ca 0.17 -1.59 -0.02 0.00 0.77 0.00 0.00 66.41 65.73 1za1 h THR 55 Cb -0.07 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1za1 h THR 55 CO -0.04 0.53 -0.01 -0.09 0.37 0.00 0.00 175.52 176.28 1za1 h ARG 56 N 0.71 0.23 -0.47 6.66 2.43 -0.97 -0.15 114.38 122.81 1za1 h ARG 56 Ca 0.05 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1za1 h ARG 56 Cb 1.00 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 1za1 h ARG 56 CO 0.10 0.50 0.30 -0.07 -1.51 0.00 0.00 179.97 179.28 1za1 h LEU 57 N -0.05 0.56 0.14 3.80 3.38 -1.10 0.81 115.31 122.85 1za1 h LEU 57 Ca 0.03 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1za1 h LEU 57 Cb 0.40 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1za1 h LEU 57 CO 0.01 0.44 -0.24 -1.28 0.09 0.00 0.00 178.44 177.46 1za1 h SER 58 N 0.64 -0.67 -0.74 -0.43 0.87 -1.27 -0.19 113.55 111.76 1za1 h SER 58 Ca 0.17 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1za1 h SER 58 Cb -0.03 0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 1za1 h SER 58 CO -0.03 -0.33 0.42 -0.26 -0.53 0.00 0.00 176.83 176.10 1za1 h PHE 59 N -0.45 1.00 -0.54 2.24 0.04 -0.42 -1.56 116.94 117.25 1za1 h PHE 59 Ca 0.02 -0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 1za1 h PHE 59 Cb 0.47 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 1za1 h PHE 59 CO -0.21 0.69 -0.00 0.93 -0.60 0.00 0.00 178.31 179.12 1za1 h GLU 60 N 1.01 0.96 -0.28 1.51 5.08 0.77 -1.69 114.58 121.94 1za1 h GLU 60 Ca 0.26 -0.31 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1za1 h GLU 60 Cb 0.01 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1za1 h GLU 60 CO -0.05 0.97 0.05 1.15 -1.00 0.00 0.00 179.01 180.13 1za1 h THR 61 N 0.83 0.86 -0.88 1.13 2.02 -0.84 -1.10 112.91 114.93 1za1 h THR 61 Ca 0.15 -0.05 0.09 0.00 0.77 0.00 0.00 66.41 67.37 1za1 h THR 61 Cb 0.54 0.70 -0.07 0.00 -1.74 0.00 0.00 68.15 67.57 1za1 h THR 61 CO 0.03 0.03 0.53 0.28 0.37 0.00 0.00 175.52 176.76 1za1 h SER 62 N 0.15 0.79 -0.05 4.18 0.02 -1.01 0.82 113.55 118.45 1za1 h SER 62 Ca 0.13 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1za1 h SER 62 Cb 0.14 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1za1 h SER 62 CO -0.18 0.47 -0.09 0.24 -1.14 0.00 0.00 176.83 176.13 1za1 h MET 63 N 0.91 -0.13 -0.24 3.45 2.07 -0.55 -2.72 114.93 117.72 1za1 h MET 63 Ca 0.41 0.01 -0.06 0.00 -2.07 0.00 0.00 59.70 57.99 1za1 h MET 63 Cb 0.32 0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.07 1za1 h MET 63 CO -0.23 -0.09 -0.12 0.45 1.07 0.00 0.00 176.91 177.99 1za1 h HIS 64 N -0.13 0.42 0.00 -0.22 3.86 -0.23 -2.06 115.15 116.79 1za1 h HIS 64 Ca 0.05 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1za1 h HIS 64 Cb 0.20 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 1za1 h HIS 64 CO -0.18 0.51 -0.01 0.00 0.86 0.00 0.00 177.93 179.12 1za1 h ARG 65 N 0.37 0.00 -0.26 2.45 2.47 -0.56 0.39 114.38 119.24 1za1 h ARG 65 Ca 0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1za1 h ARG 65 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1za1 h ARG 65 CO 0.03 0.01 0.00 1.28 0.56 0.00 0.00 179.97 181.85 1za1 n LEU 66 N -3.17 3.17 0.00 3.04 4.77 -0.89 -3.67 117.00 120.24 1za1 n LEU 66 Ca -0.02 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.61 1za1 n LEU 66 Cb 0.15 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1za1 n LEU 66 CO 0.23 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1za1 n GLY 67 N 1.32 0.69 3.89 -0.72 0.00 0.13 0.07 105.19 110.57 1za1 n GLY 67 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1za1 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1za1 s ALA 68 N -2.17 3.41 0.42 4.61 0.00 -0.83 -3.61 121.76 123.59 1za1 s ALA 68 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 51.96 51.53 1za1 s ALA 68 Cb 0.00 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 1za1 s ALA 68 CO 0.00 -0.13 0.70 -1.12 0.00 0.00 0.00 175.76 175.21 1za1 s SER 69 N -3.59 6.32 0.02 0.00 0.01 -0.78 -4.12 113.70 111.56 1za1 s SER 69 Ca 0.48 0.82 0.02 0.00 1.31 0.00 0.00 55.95 58.58 1za1 s SER 69 Cb -0.10 -2.19 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 1za1 s SER 69 CO 0.37 -0.45 -0.07 -0.69 0.41 0.00 0.00 173.24 172.81 1za1 s VAL 70 N -2.52 0.56 0.02 3.43 1.01 -1.26 -1.30 120.40 120.34 1za1 s VAL 70 Ca 0.46 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 1za1 s VAL 70 Cb -0.10 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 1za1 s VAL 70 CO 0.39 -0.10 0.02 0.68 0.00 0.00 0.00 175.10 176.10 1za1 s VAL 71 N -0.73 0.12 -2.70 2.92 -7.23 -0.79 -4.94 120.40 107.06 1za1 s VAL 71 Ca -0.03 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1za1 s VAL 71 Cb -0.06 -0.56 0.00 0.00 0.56 0.00 0.00 36.38 36.32 1za1 s VAL 71 CO 0.00 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 174.85 1za1 n GLY 72 N 1.24 -0.81 3.83 2.32 0.00 -1.26 -1.00 105.19 109.51 1za1 n GLY 72 Ca -0.22 -0.93 -0.07 0.00 0.00 0.00 0.00 46.02 44.80 1za1 n GLY 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1za1 s PHE 73 N -3.00 -0.09 0.11 1.61 -0.71 -0.96 -4.97 117.98 109.97 1za1 s PHE 73 Ca 0.00 -0.39 0.01 0.00 -1.04 0.00 0.00 56.93 55.52 1za1 s PHE 73 Cb 0.00 0.67 -0.04 0.00 -1.21 0.00 0.00 43.02 42.44 1za1 s PHE 73 CO 0.00 -1.26 -0.05 -1.12 -1.34 0.00 0.00 175.22 171.45 1za1 s SER 74 N -2.95 1.08 0.11 1.98 0.01 -1.26 -1.29 113.70 111.38 1za1 s SER 74 Ca 0.13 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.35 1za1 s SER 74 Cb -0.05 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.29 1za1 s SER 74 CO 0.08 -0.50 0.00 -0.67 0.41 0.00 0.00 173.24 172.56 1za1 n ASP 75 N -0.06 -2.62 -1.56 2.44 2.03 0.28 -4.65 116.55 112.42 1za1 n ASP 75 Ca -0.11 0.19 0.04 0.00 0.52 0.00 0.00 54.79 55.43 1za1 n ASP 75 Cb 0.61 -1.79 0.03 0.00 -0.72 0.00 0.00 41.12 39.25 1za1 n ASP 75 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1za1 n SER 76 N -4.39 1.06 -0.56 1.67 7.64 -1.26 -4.35 113.62 113.43 1za1 n SER 76 Ca 0.00 -2.05 0.08 0.00 1.01 0.00 0.00 58.87 57.91 1za1 n SER 76 Cb 0.55 -0.32 0.05 0.00 -1.01 0.00 0.00 64.21 63.49 1za1 n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1za1 n ALA 77 N 0.40 2.59 0.00 -0.43 0.00 -1.26 -4.45 120.51 117.35 1za1 n ALA 77 Ca 0.06 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1za1 n ALA 77 Cb 1.12 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1za1 n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1za1 n ASN 78 N 0.67 2.24 -4.74 0.00 3.02 -1.26 -5.08 115.26 110.11 1za1 n ASN 78 Ca 0.08 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.25 1za1 n ASN 78 Cb 0.37 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.58 1za1 n ASN 78 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1za1 n THR 79 N -2.51 3.66 -2.30 3.41 -1.04 -1.26 -4.98 114.28 109.26 1za1 n THR 79 Ca 0.00 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.05 61.30 1za1 n THR 79 Cb 0.41 -1.65 0.02 0.00 -1.82 0.00 0.00 70.33 67.29 1za1 n THR 79 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1za1 n SER 80 N -0.84 4.24 -2.64 8.00 3.41 -1.26 -4.44 113.62 120.09 1za1 n SER 80 Ca 0.10 -3.48 -0.11 0.00 -0.26 0.00 0.00 58.87 55.12 1za1 n SER 80 Cb 0.44 -0.41 0.03 0.00 -0.26 0.00 0.00 64.21 64.01 1za1 n SER 80 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1za1 n LEU 81 N -0.58 1.87 0.00 1.04 0.00 -1.26 -4.86 117.00 113.20 1za1 n LEU 81 Ca 0.36 -3.88 0.00 0.00 0.00 0.00 0.00 56.01 52.49 1za1 n LEU 81 Cb 0.84 0.32 0.00 0.00 0.00 0.00 0.00 43.42 44.58 1za1 n LEU 81 CO 0.33 1.63 0.00 0.61 0.00 0.00 0.00 177.39 179.96 1za1 n GLY 82 N -0.13 -0.03 0.45 -3.96 0.00 -1.26 -4.91 105.19 95.34 1za1 n GLY 82 Ca 0.13 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.38 1za1 n GLY 82 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1za1 h LYS 83 N 0.00 0.00 0.00 1.61 3.64 -1.85 -3.37 116.57 116.60 1za1 h LYS 83 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1za1 h LYS 83 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1za1 h LYS 83 CO 0.00 0.00 0.00 0.36 -2.27 0.00 0.00 179.45 177.54 1za1 n LYS 84 N -3.46 0.00 0.00 1.90 2.85 -1.26 -5.08 118.16 113.11 1za1 n LYS 84 Ca 0.14 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 1za1 n LYS 84 Cb 1.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.38 1za1 n LYS 84 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1za1 n GLY 85 N 0.00 2.20 3.73 2.58 0.00 -1.26 -5.12 105.19 107.32 1za1 n GLY 85 Ca 0.00 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1za1 n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1za1 s GLU 86 N 0.00 4.30 0.72 1.61 2.12 -1.26 -4.99 118.70 121.20 1za1 s GLU 86 Ca 0.00 2.19 -0.13 0.00 0.36 0.00 0.00 54.97 57.39 1za1 s GLU 86 Cb 0.00 -3.18 0.03 0.00 0.26 0.00 0.00 34.13 31.24 1za1 s GLU 86 CO 0.00 -0.42 1.10 0.95 -0.54 0.00 0.00 175.26 176.36 1za1 s THR 87 N 0.53 3.26 0.35 -1.70 -4.23 -1.26 -4.56 115.64 108.03 1za1 s THR 87 Ca 0.62 0.50 0.07 0.00 -1.18 0.00 0.00 61.69 61.69 1za1 s THR 87 Cb -0.39 -2.99 0.14 0.00 1.34 0.00 0.00 72.50 70.59 1za1 s THR 87 CO 0.36 -0.45 1.87 0.25 -0.54 0.00 0.00 174.62 176.11 1za1 h LEU 88 N -0.55 0.35 -0.62 4.79 5.85 -1.94 -1.88 115.31 121.30 1za1 h LEU 88 Ca -0.45 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.21 1za1 h LEU 88 Cb 1.24 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 1za1 h LEU 88 CO 0.53 0.50 0.40 0.00 -0.34 0.00 0.00 178.44 179.52 1za1 h ALA 89 N 1.54 0.80 -0.31 1.25 0.00 -1.93 -0.37 119.26 120.24 1za1 h ALA 89 Ca 0.07 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1za1 h ALA 89 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1za1 h ALA 89 CO 0.02 0.17 -0.27 -0.44 0.00 0.00 0.00 179.25 178.73 1za1 h ASP 90 N 0.79 0.77 -0.99 0.00 3.32 -1.84 -0.94 116.42 117.54 1za1 h ASP 90 Ca 0.24 -0.46 0.09 0.00 0.02 0.00 0.00 57.03 56.92 1za1 h ASP 90 Cb -0.03 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.23 1za1 h ASP 90 CO -0.08 1.07 0.64 0.74 -1.72 0.00 0.00 179.24 179.89 1za1 h THR 91 N 0.49 1.02 -0.10 0.35 2.02 -0.94 -0.14 112.91 115.60 1za1 h THR 91 Ca 0.05 -0.37 -0.15 0.00 0.77 0.00 0.00 66.41 66.71 1za1 h THR 91 Cb 0.84 -0.16 0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1za1 h THR 91 CO 0.07 0.20 -0.53 0.40 0.37 0.00 0.00 175.52 176.02 1za1 h ILE 92 N 1.08 1.36 -0.92 3.11 1.08 -0.90 -1.68 117.51 120.64 1za1 h ILE 92 Ca 0.45 -1.85 0.08 0.00 -0.39 0.00 0.00 64.86 63.15 1za1 h ILE 92 Cb 0.30 2.19 -0.06 0.00 -3.07 0.00 0.00 36.82 36.17 1za1 h ILE 92 CO -0.20 0.56 0.60 0.28 -0.69 0.00 0.00 178.15 178.69 1za1 h SER 93 N 0.15 0.90 0.46 1.72 0.02 -0.61 0.19 113.55 116.38 1za1 h SER 93 Ca -0.04 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1za1 h SER 93 Cb 1.18 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1za1 h SER 93 CO 0.11 0.56 -0.22 0.58 -1.14 0.00 0.00 176.83 176.72 1za1 h VAL 94 N 1.01 0.00 -0.96 2.27 2.07 -1.02 -3.30 116.25 116.32 1za1 h VAL 94 Ca 0.41 -0.44 0.13 0.00 0.82 0.00 0.00 66.70 67.62 1za1 h VAL 94 Cb 0.27 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.96 1za1 h VAL 94 CO -0.17 0.00 0.61 0.40 0.02 0.00 0.00 177.57 178.43 1za1 h ILE 95 N -1.06 0.87 0.00 4.57 2.04 -1.12 0.24 117.51 123.05 1za1 h ILE 95 Ca -0.06 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1za1 h ILE 95 Cb 0.47 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1za1 h ILE 95 CO 0.10 0.16 0.00 -1.54 0.00 0.00 0.00 178.15 176.87 1za1 n SER 96 N -4.61 0.00 -0.55 1.72 3.41 0.66 -0.72 113.62 113.54 1za1 n SER 96 Ca 0.19 0.19 0.13 0.00 -0.26 0.00 0.00 58.87 59.12 1za1 n SER 96 Cb 0.41 -0.32 0.36 0.00 -0.26 0.00 0.00 64.21 64.41 1za1 n SER 96 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1za1 n THR 97 N -1.32 0.00 -0.10 6.66 -2.24 0.83 -4.31 114.28 113.79 1za1 n THR 97 Ca 0.05 -0.29 -0.15 0.00 -2.27 0.00 0.00 64.05 61.39 1za1 n THR 97 Cb 0.09 0.77 -0.09 0.00 -2.10 0.00 0.00 70.33 68.99 1za1 n THR 97 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1za1 n TYR 98 N 0.28 0.00 -3.97 4.78 4.01 0.11 -5.08 117.16 117.29 1za1 n TYR 98 Ca 0.16 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.66 1za1 n TYR 98 Cb 0.42 -0.80 -0.06 0.00 -0.31 0.00 0.00 39.34 38.59 1za1 n TYR 98 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1za1 s VAL 99 N -2.41 2.46 -0.18 -0.72 -7.23 -1.08 -4.96 120.40 106.28 1za1 s VAL 99 Ca -0.28 -1.60 0.22 0.00 -1.81 0.00 0.00 61.98 58.51 1za1 s VAL 99 Cb 0.08 -3.00 -0.10 0.00 0.56 0.00 0.00 36.38 33.92 1za1 s VAL 99 CO 0.47 -0.01 0.88 0.47 -0.31 0.00 0.00 175.10 176.60 1za1 n ASP 100 N -1.31 0.61 -3.55 4.85 8.00 -0.16 -4.88 116.55 120.11 1za1 n ASP 100 Ca 0.00 0.24 -0.14 0.00 0.71 0.00 0.00 54.79 55.60 1za1 n ASP 100 Cb 0.64 0.88 -0.06 0.00 -0.02 0.00 0.00 41.12 42.56 1za1 n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1za1 s ALA 101 N -3.40 -1.86 -0.15 2.24 0.00 -1.24 -4.10 121.76 113.25 1za1 s ALA 101 Ca -0.03 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1za1 s ALA 101 Cb 0.11 -0.43 -0.00 0.00 0.00 0.00 0.00 23.12 22.79 1za1 s ALA 101 CO 0.82 -0.33 -0.15 0.42 0.00 0.00 0.00 175.76 176.52 1za1 s ILE 102 N -1.07 2.71 -0.17 0.00 1.01 -0.44 -0.88 121.20 122.38 1za1 s ILE 102 Ca -0.06 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 59.80 1za1 s ILE 102 Cb -0.00 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 1za1 s ILE 102 CO 0.05 0.51 -0.03 -0.69 0.00 0.00 0.00 174.94 174.78 1za1 s VAL 103 N 0.79 3.84 -0.01 2.92 1.01 0.18 -0.25 120.40 128.88 1za1 s VAL 103 Ca -0.05 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 1za1 s VAL 103 Cb -0.15 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1za1 s VAL 103 CO 0.00 0.48 0.14 0.00 0.00 0.00 0.00 175.10 175.72 1za1 s MET 104 N 0.54 0.42 -0.00 2.72 0.00 -0.57 0.07 119.30 122.48 1za1 s MET 104 Ca -0.03 -0.29 0.05 0.00 0.00 0.00 0.00 55.69 55.42 1za1 s MET 104 Cb -0.14 0.18 -0.01 0.00 0.00 0.00 0.00 34.83 34.85 1za1 s MET 104 CO 0.03 -0.10 -0.15 0.50 0.00 0.00 0.00 175.02 175.30 1za1 s ARG 105 N -1.11 1.18 0.01 3.16 3.52 -0.75 0.65 118.95 125.61 1za1 s ARG 105 Ca -0.12 -0.59 -0.13 0.00 -0.13 0.00 0.00 55.73 54.76 1za1 s ARG 105 Cb -0.06 -1.16 0.02 0.00 -1.56 0.00 0.00 34.95 32.19 1za1 s ARG 105 CO 0.01 0.31 0.29 -1.58 -0.81 0.00 0.00 175.30 173.52 1za1 s HIS 106 N -0.45 -0.12 -0.04 5.12 2.46 0.12 -1.49 115.29 120.89 1za1 s HIS 106 Ca 0.05 0.09 0.19 0.00 0.47 0.00 0.00 55.06 55.87 1za1 s HIS 106 Cb -0.06 0.08 0.47 0.00 -0.13 0.00 0.00 32.58 32.93 1za1 s HIS 106 CO -0.00 -0.43 1.63 -1.00 -2.47 0.00 0.00 174.74 172.47 1za1 h PRO 107 N 3.63 0.00 -5.84 2.88 0.13 -1.88 -1.16 132.00 129.77 1za1 h PRO 107 Ca -0.31 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.19 1za1 h PRO 107 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1za1 h PRO 107 CO 0.43 0.34 -0.33 -0.65 -0.23 0.00 0.00 178.00 177.56 1za1 s GLN 108 N -3.30 3.69 0.31 0.86 -0.21 -1.26 -3.47 119.66 116.28 1za1 s GLN 108 Ca 0.03 0.16 -0.29 0.00 0.02 0.00 0.00 55.36 55.27 1za1 s GLN 108 Cb 0.09 -3.20 -0.11 0.00 1.00 0.00 0.00 33.01 30.79 1za1 s GLN 108 CO 0.69 0.73 1.49 -1.21 -2.12 0.00 0.00 175.29 174.87 1za1 s GLU 109 N -1.07 4.19 0.00 2.91 8.01 -1.25 -2.95 118.70 128.54 1za1 s GLU 109 Ca 0.20 2.46 0.00 0.00 0.01 0.00 0.00 54.97 57.64 1za1 s GLU 109 Cb -0.14 -3.04 0.00 0.00 -4.31 0.00 0.00 34.13 26.64 1za1 s GLU 109 CO 0.09 -0.49 0.00 0.41 0.01 0.00 0.00 175.26 175.28 1za1 n GLY 110 N 1.54 1.13 0.24 -1.39 0.00 -1.26 -4.96 105.19 100.49 1za1 n GLY 110 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 1za1 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1za1 h ALA 111 N 0.00 0.81 -0.76 4.61 0.00 -1.88 0.13 119.26 122.17 1za1 h ALA 111 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1za1 h ALA 111 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1za1 h ALA 111 CO 0.00 -0.05 0.36 0.00 0.00 0.00 0.00 179.25 179.56 1za1 h ALA 112 N 1.35 0.98 -0.30 0.00 0.00 -1.92 0.30 119.26 119.67 1za1 h ALA 112 Ca 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1za1 h ALA 112 Cb 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1za1 h ALA 112 CO -0.21 0.55 0.10 -0.09 0.00 0.00 0.00 179.25 179.60 1za1 h ARG 113 N 1.07 0.46 -0.91 0.00 9.65 -1.77 -2.20 114.38 120.67 1za1 h ARG 113 Ca 0.26 -0.09 0.02 0.00 -1.10 0.00 0.00 59.98 59.07 1za1 h ARG 113 Cb 0.13 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.59 1za1 h ARG 113 CO -0.03 0.50 0.60 1.25 2.80 0.00 0.00 179.97 185.08 1za1 h LEU 114 N 0.33 1.02 -0.84 3.80 6.46 -0.38 -2.66 115.31 123.04 1za1 h LEU 114 Ca 0.10 -0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.91 1za1 h LEU 114 Cb 0.22 -0.24 -0.06 0.00 -0.73 0.00 0.00 40.66 39.85 1za1 h LEU 114 CO -0.00 0.72 0.51 0.00 -0.62 0.00 0.00 178.44 179.04 1za1 h ALA 115 N 1.36 1.16 0.00 1.25 0.00 -0.40 -1.47 119.26 121.16 1za1 h ALA 115 Ca 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1za1 h ALA 115 Cb -0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1za1 h ALA 115 CO -0.10 0.22 -0.00 1.79 0.00 0.00 0.00 179.25 181.16 1za1 h THR 116 N 0.91 0.14 -0.00 0.00 1.35 -1.04 -0.52 112.91 113.75 1za1 h THR 116 Ca 0.38 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 66.22 1za1 h THR 116 Cb 0.22 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1za1 h THR 116 CO -0.19 0.00 -0.04 -0.62 -0.25 0.00 0.00 175.52 174.42 1za1 n GLU 117 N -3.29 0.67 0.00 4.72 1.02 -0.55 -3.75 120.64 119.47 1za1 n GLU 117 Ca -0.03 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 1za1 n GLU 117 Cb 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1za1 n GLU 117 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1za1 n PHE 118 N -1.07 0.00 -0.08 -0.32 3.01 -0.30 -4.77 117.46 113.94 1za1 n PHE 118 Ca 0.17 -0.07 0.12 0.00 1.01 0.00 0.00 57.45 58.67 1za1 n PHE 118 Cb 0.23 -0.01 0.28 0.00 -0.01 0.00 0.00 39.48 39.97 1za1 n PHE 118 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1za1 n SER 119 N -0.07 3.76 0.00 4.37 3.41 -0.64 -3.73 113.62 120.71 1za1 n SER 119 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1za1 n SER 119 Cb 0.24 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1za1 n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1za1 n GLY 120 N 1.59 3.69 0.47 5.00 0.00 -1.26 -0.81 105.19 113.86 1za1 n GLY 120 Ca 0.22 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.48 1za1 n GLY 120 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1za1 n ASN 121 N 6.37 1.40 -4.63 1.61 6.94 -1.26 -4.86 115.26 120.83 1za1 n ASN 121 Ca 0.00 -1.70 -0.40 0.00 -0.02 0.00 0.00 54.58 52.46 1za1 n ASN 121 Cb 0.00 -0.10 -0.07 0.00 -2.36 0.00 0.00 39.78 37.25 1za1 n ASN 121 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1za1 s VAL 122 N -1.80 5.07 0.30 3.53 1.01 0.01 -5.03 120.40 123.49 1za1 s VAL 122 Ca 0.30 0.94 -0.29 0.00 0.00 0.00 0.00 61.98 62.93 1za1 s VAL 122 Cb 0.16 -3.85 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 1za1 s VAL 122 CO 0.24 0.11 1.44 -2.84 0.00 0.00 0.00 175.10 174.04 1za1 s PRO 123 N 2.13 4.24 -0.20 2.72 0.02 -1.26 -4.79 135.00 137.85 1za1 s PRO 123 Ca 0.23 2.38 -0.05 0.00 0.02 0.00 0.00 61.00 63.57 1za1 s PRO 123 Cb -0.16 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 1za1 s PRO 123 CO 0.09 -0.42 0.01 0.08 -0.33 0.00 0.00 177.00 176.43 1za1 s VAL 124 N -0.52 4.03 -0.22 3.83 1.01 -1.26 -1.32 120.40 125.94 1za1 s VAL 124 Ca 0.56 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 1za1 s VAL 124 Cb -0.43 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 1za1 s VAL 124 CO 0.51 0.43 -0.04 -0.76 0.00 0.00 0.00 175.10 175.23 1za1 s LEU 125 N 0.92 2.92 -0.49 3.92 1.02 0.65 -1.20 118.68 126.41 1za1 s LEU 125 Ca 0.01 -0.44 -0.28 0.00 0.02 0.00 0.00 54.13 53.44 1za1 s LEU 125 Cb -0.14 -1.73 0.01 0.00 0.02 0.00 0.00 46.19 44.35 1za1 s LEU 125 CO 0.02 -0.03 1.42 0.21 0.02 0.00 0.00 176.35 177.99 1za1 s ASN 126 N 1.47 6.21 -0.08 2.29 2.47 -0.44 -1.51 114.94 125.35 1za1 s ASN 126 Ca 0.05 0.54 0.10 0.00 0.42 0.00 0.00 52.86 53.98 1za1 s ASN 126 Cb -0.14 -2.54 0.44 0.00 -1.45 0.00 0.00 41.25 37.55 1za1 s ASN 126 CO -0.03 -1.59 1.27 0.00 -3.72 0.00 0.00 177.10 173.02 1za1 n ALA 127 N 9.28 2.93 0.00 1.71 0.00 0.21 -4.23 120.51 130.41 1za1 n ALA 127 Ca 0.15 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.62 1za1 n ALA 127 Cb 0.49 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1za1 n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1za1 n GLY 128 N 0.72 4.00 2.60 0.00 0.00 -1.25 -4.71 105.19 106.54 1za1 n GLY 128 Ca 0.15 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 1za1 n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1za1 s ASP 129 N 0.00 3.26 1.01 1.61 -4.77 -1.01 -0.70 116.67 116.07 1za1 s ASP 129 Ca 0.00 -2.51 0.00 0.00 -3.30 0.00 0.00 52.55 46.74 1za1 s ASP 129 Cb 0.00 -0.76 0.00 0.00 -1.09 0.00 0.00 42.92 41.07 1za1 s ASP 129 CO 0.00 -0.27 0.00 0.61 0.70 0.00 0.00 175.17 176.21 1za1 n GLY 130 N 3.65 2.93 1.11 2.12 0.00 -0.44 -1.91 105.19 112.66 1za1 n GLY 130 Ca 0.12 -0.32 0.03 0.00 0.00 0.00 0.00 46.02 45.85 1za1 n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1za1 n SER 131 N 1.18 3.10 0.00 1.61 3.41 -1.26 -4.62 113.62 117.04 1za1 n SER 131 Ca 0.00 -2.40 0.00 0.00 -0.26 0.00 0.00 58.87 56.21 1za1 n SER 131 Cb 0.00 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1za1 n SER 131 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1za1 n ASN 132 N 0.31 0.00 -4.50 4.04 5.15 -0.80 -4.77 115.26 114.69 1za1 n ASN 132 Ca 0.13 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.86 1za1 n ASN 132 Cb 0.66 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.81 1za1 n ASN 132 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1za1 s GLN 133 N 0.00 1.72 -0.47 1.20 -1.52 -1.26 -4.91 119.66 114.43 1za1 s GLN 133 Ca 0.00 -1.85 0.06 0.00 -1.95 0.00 0.00 55.36 51.62 1za1 s GLN 133 Cb 0.00 -1.63 0.29 0.00 -0.22 0.00 0.00 33.01 31.45 1za1 s GLN 133 CO 0.00 0.19 1.02 1.58 -0.25 0.00 0.00 175.29 177.83 1za1 n HIS 134 N -0.70 -3.00 -0.21 0.91 -0.00 -1.26 -2.39 115.22 108.57 1za1 n HIS 134 Ca -0.05 -2.02 0.12 0.00 0.46 0.00 0.00 57.72 56.23 1za1 n HIS 134 Cb 0.62 1.56 0.42 0.00 -0.12 0.00 0.00 29.99 32.48 1za1 n HIS 134 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1za1 h PRO 135 N 3.40 0.57 0.00 1.57 0.13 -1.82 -2.35 132.00 133.50 1za1 h PRO 135 Ca -0.11 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.90 1za1 h PRO 135 Cb 1.07 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1za1 h PRO 135 CO 0.22 0.38 -0.36 1.79 -0.23 0.00 0.00 178.00 179.79 1za1 h THR 136 N 0.59 0.76 -0.44 1.56 1.35 -1.94 -0.30 112.91 114.48 1za1 h THR 136 Ca 0.39 -1.61 -0.12 0.00 -0.55 0.00 0.00 66.41 64.52 1za1 h THR 136 Cb 0.69 2.04 -0.01 0.00 -1.73 0.00 0.00 68.15 69.14 1za1 h THR 136 CO -0.15 0.35 -0.21 -0.61 -0.25 0.00 0.00 175.52 174.65 1za1 h GLN 137 N 0.00 0.89 -0.38 4.72 5.75 -1.80 -1.46 115.11 122.83 1za1 h GLN 137 Ca -0.00 -0.37 -0.13 0.00 -0.15 0.00 0.00 58.65 58.00 1za1 h GLN 137 Cb 1.01 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.51 1za1 h GLN 137 CO 0.05 1.02 -0.26 1.15 -2.65 0.00 0.00 178.83 178.14 1za1 h THR 138 N 0.77 1.28 -0.80 2.39 2.02 -1.23 -0.99 112.91 116.35 1za1 h THR 138 Ca 0.10 -1.41 -0.02 0.00 0.77 0.00 0.00 66.41 65.85 1za1 h THR 138 Cb 0.76 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 1za1 h THR 138 CO 0.06 0.47 0.43 -0.07 0.37 0.00 0.00 175.52 176.78 1za1 h LEU 139 N 0.64 1.00 -0.48 2.58 3.38 -0.95 -0.33 115.31 121.15 1za1 h LEU 139 Ca 0.07 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1za1 h LEU 139 Cb 0.83 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1za1 h LEU 139 CO 0.07 0.82 -0.16 0.25 0.09 0.00 0.00 178.44 179.52 1za1 h LEU 140 N 1.11 0.96 -0.01 1.67 6.46 -1.14 0.64 115.31 125.00 1za1 h LEU 140 Ca 0.28 -0.38 -0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1za1 h LEU 140 Cb 0.05 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 39.72 1za1 h LEU 140 CO -0.04 1.12 0.01 0.44 -0.62 0.00 0.00 178.44 179.34 1za1 h ASP 141 N 0.79 0.01 -0.59 1.25 3.32 -0.93 -0.42 116.42 119.86 1za1 h ASP 141 Ca 0.12 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1za1 h ASP 141 Cb 0.72 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 1za1 h ASP 141 CO 0.06 0.10 0.20 -0.07 -1.72 0.00 0.00 179.24 177.81 1za1 h LEU 142 N -0.07 0.87 -0.48 1.55 3.38 -0.93 0.31 115.31 119.95 1za1 h LEU 142 Ca 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1za1 h LEU 142 Cb 0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1za1 h LEU 142 CO -0.00 0.82 0.20 0.15 0.09 0.00 0.00 178.44 179.70 1za1 h PHE 143 N 0.92 0.71 -0.55 1.13 3.57 -0.62 0.32 116.94 122.41 1za1 h PHE 143 Ca 0.21 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1za1 h PHE 143 Cb 0.25 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1za1 h PHE 143 CO 0.02 0.59 0.24 1.15 -2.23 0.00 0.00 178.31 178.08 1za1 h THR 144 N 0.63 1.21 -0.08 4.41 2.02 -0.43 -0.19 112.91 120.48 1za1 h THR 144 Ca 0.16 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 1za1 h THR 144 Cb 0.17 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1za1 h THR 144 CO -0.02 0.25 0.04 0.40 0.37 0.00 0.00 175.52 176.56 1za1 h ILE 145 N 0.75 1.13 -0.89 3.11 2.04 -0.66 -1.44 117.51 121.55 1za1 h ILE 145 Ca 0.19 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.70 1za1 h ILE 145 Cb 0.16 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1za1 h ILE 145 CO -0.02 0.11 0.58 -0.61 0.00 0.00 0.00 178.15 178.21 1za1 h GLN 146 N -0.00 1.11 -0.23 2.37 4.15 -0.78 0.23 115.11 121.96 1za1 h GLN 146 Ca 0.03 -0.07 -0.18 0.00 0.77 0.00 0.00 58.65 59.21 1za1 h GLN 146 Cb 0.14 -0.25 -0.00 0.00 0.21 0.00 0.00 27.48 27.58 1za1 h GLN 146 CO -0.00 0.73 -0.57 1.49 -1.93 0.00 0.00 178.83 178.55 1za1 h GLU 147 N 1.14 0.71 0.00 1.69 4.81 -0.88 0.82 114.58 122.87 1za1 h GLU 147 Ca 0.34 -0.46 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 1za1 h GLU 147 Cb -0.03 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1za1 h GLU 147 CO -0.09 1.08 -0.92 1.79 -0.73 0.00 0.00 179.01 180.14 1za1 h THR 148 N 0.54 0.19 0.00 0.32 1.35 -0.87 -3.36 112.91 111.07 1za1 h THR 148 Ca 0.01 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 1za1 h THR 148 Cb 1.14 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 1za1 h THR 148 CO 0.12 0.11 -1.26 0.00 -0.25 0.00 0.00 175.52 174.23 1za1 n GLN 149 N -2.84 1.12 -0.98 4.72 1.13 0.04 -5.01 117.38 115.57 1za1 n GLN 149 Ca -0.02 -0.08 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 1za1 n GLN 149 Cb 0.63 -1.21 0.00 0.00 0.11 0.00 0.00 30.24 29.78 1za1 n GLN 149 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1za1 n GLY 150 N 1.70 0.92 3.82 1.08 0.00 0.28 -4.96 105.19 108.04 1za1 n GLY 150 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 1za1 n GLY 150 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1za1 s ARG 151 N -0.05 1.83 0.00 1.61 1.70 -1.21 -4.98 118.95 117.86 1za1 s ARG 151 Ca 0.00 -1.09 0.00 0.00 -0.47 0.00 0.00 55.73 54.17 1za1 s ARG 151 Cb 0.00 0.60 0.00 0.00 -0.57 0.00 0.00 34.95 34.98 1za1 s ARG 151 CO 0.00 -0.83 0.58 1.28 -1.08 0.00 0.00 175.30 175.25 1za1 n LEU 152 N -0.46 1.07 -4.70 -1.89 4.77 -1.26 -4.10 117.00 110.42 1za1 n LEU 152 Ca -0.04 -1.07 -0.27 0.00 -0.03 0.00 0.00 56.01 54.60 1za1 n LEU 152 Cb 0.59 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.61 1za1 n LEU 152 CO 0.17 0.27 -0.30 -1.81 -1.33 0.00 0.00 177.39 174.39 1za1 s ASP 153 N -0.31 5.00 -1.27 -1.43 1.01 -1.26 -4.64 116.67 113.77 1za1 s ASP 153 Ca 0.00 -0.30 -0.13 0.00 0.71 0.00 0.00 52.55 52.84 1za1 s ASP 153 Cb 0.00 -1.15 0.00 0.00 1.01 0.00 0.00 42.92 42.78 1za1 s ASP 153 CO 0.00 0.10 0.60 0.59 0.21 0.00 0.00 175.17 176.67 1za1 n ASN 154 N -0.08 -2.85 -4.48 0.27 4.13 0.11 -4.91 115.26 107.45 1za1 n ASN 154 Ca -0.09 -1.04 -0.26 0.00 1.68 0.00 0.00 54.58 54.86 1za1 n ASN 154 Cb 0.55 -3.05 -0.11 0.00 -1.54 0.00 0.00 39.78 35.63 1za1 n ASN 154 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1za1 s LEU 155 N -6.80 2.64 -0.34 3.41 1.43 -1.25 -4.93 118.68 112.84 1za1 s LEU 155 Ca 0.26 -0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 1za1 s LEU 155 Cb -0.10 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.79 1za1 s LEU 155 CO 0.89 0.11 0.19 -1.00 0.23 0.00 0.00 176.35 176.76 1za1 s HIS 156 N -1.77 3.21 -0.18 0.29 3.76 -1.26 -0.85 115.29 118.49 1za1 s HIS 156 Ca 0.23 -0.62 0.01 0.00 -0.15 0.00 0.00 55.06 54.53 1za1 s HIS 156 Cb -0.08 -2.41 0.01 0.00 1.11 0.00 0.00 32.58 31.21 1za1 s HIS 156 CO 0.12 -0.50 -0.18 0.08 -0.85 0.00 0.00 174.74 173.41 1za1 s VAL 157 N 1.62 2.28 -0.11 -0.90 1.01 0.49 -1.33 120.40 123.47 1za1 s VAL 157 Ca 0.04 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 1za1 s VAL 157 Cb -0.18 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1za1 s VAL 157 CO 0.07 0.52 0.01 0.00 0.00 0.00 0.00 175.10 175.70 1za1 s ALA 158 N 1.20 3.27 -0.10 5.51 0.00 0.15 -0.61 121.76 131.18 1za1 s ALA 158 Ca 0.02 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.22 1za1 s ALA 158 Cb -0.14 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.43 1za1 s ALA 158 CO -0.09 0.48 -0.20 -1.64 0.00 0.00 0.00 175.76 174.31 1za1 s MET 159 N -0.53 2.66 -0.00 0.00 -1.94 0.42 0.01 119.30 119.92 1za1 s MET 159 Ca 0.09 -0.74 0.05 0.00 -1.71 0.00 0.00 55.69 53.38 1za1 s MET 159 Cb -0.12 -2.09 -0.01 0.00 2.01 0.00 0.00 34.83 34.62 1za1 s MET 159 CO 0.02 0.08 -0.17 0.08 -0.01 0.00 0.00 175.02 175.03 1za1 s VAL 160 N 0.57 1.31 0.00 -6.03 1.01 0.68 -1.95 120.40 115.98 1za1 s VAL 160 Ca -0.14 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1za1 s VAL 160 Cb -0.17 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.11 1za1 s VAL 160 CO 0.05 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1za1 n GLY 161 N 2.56 0.11 3.47 4.51 0.00 -0.98 -0.19 105.19 114.66 1za1 n GLY 161 Ca -0.15 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 1za1 n GLY 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1za1 s ASP 162 N -4.00 6.65 0.21 1.61 2.15 -1.26 -4.41 116.67 117.63 1za1 s ASP 162 Ca 0.00 -2.04 0.25 0.00 0.43 0.00 0.00 52.55 51.18 1za1 s ASP 162 Cb 0.00 -2.43 0.52 0.00 -0.30 0.00 0.00 42.92 40.71 1za1 s ASP 162 CO 0.00 -1.11 1.54 -0.07 -0.17 0.00 0.00 175.17 175.37 1za1 h LEU 163 N 10.75 0.00 0.11 -1.34 3.38 -1.70 -3.02 115.31 123.49 1za1 h LEU 163 Ca 0.18 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1za1 h LEU 163 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1za1 h LEU 163 CO 1.17 0.04 -0.05 0.50 0.09 0.00 0.00 178.44 180.19 1za1 h LYS 164 N 0.00 -0.15 0.00 1.13 3.64 -1.15 -3.38 116.57 116.66 1za1 h LYS 164 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1za1 h LYS 164 Cb 0.80 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1za1 h LYS 164 CO 0.00 0.28 -1.35 0.66 -2.27 0.00 0.00 179.45 176.77 1za1 n TYR 165 N -4.94 0.32 -1.94 1.91 4.01 -1.26 -4.77 117.16 110.48 1za1 n TYR 165 Ca -0.09 0.09 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 1za1 n TYR 165 Cb 0.25 -0.54 -0.03 0.00 -0.31 0.00 0.00 39.34 38.71 1za1 n TYR 165 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1za1 s GLY 166 N -4.06 0.53 0.50 2.72 0.00 -1.14 -4.83 107.32 101.04 1za1 s GLY 166 Ca -0.01 0.07 0.25 0.00 0.00 0.00 0.00 44.72 45.03 1za1 s GLY 166 CO 0.84 3.42 2.05 0.07 0.00 0.00 0.00 173.10 179.48 1za1 h ARG 167 N 14.11 0.00 -0.61 2.90 0.11 -1.91 -2.82 114.38 126.16 1za1 h ARG 167 Ca -0.32 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.69 1za1 h ARG 167 Cb 1.18 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.24 1za1 h ARG 167 CO 1.08 0.14 0.08 1.15 0.10 0.00 0.00 179.97 182.52 1za1 h THR 168 N 0.00 1.26 0.02 0.08 2.02 -1.92 -2.54 112.91 111.83 1za1 h THR 168 Ca -0.00 -1.04 -0.21 0.00 0.77 0.00 0.00 66.41 65.93 1za1 h THR 168 Cb 0.35 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1za1 h THR 168 CO 0.02 0.38 -0.94 -0.37 0.37 0.00 0.00 175.52 174.98 1za1 h VAL 169 N 0.94 1.50 -0.56 3.16 -1.51 -1.89 -2.40 116.25 115.48 1za1 h VAL 169 Ca 0.18 -2.70 0.00 0.00 -1.23 0.00 0.00 66.70 62.95 1za1 h VAL 169 Cb 0.46 2.54 -0.03 0.00 -2.13 0.00 0.00 31.29 32.13 1za1 h VAL 169 CO 0.02 0.79 0.35 0.45 -1.23 0.00 0.00 177.57 177.95 1za1 h HIS 170 N 0.11 0.73 -0.32 5.19 3.86 -1.52 -0.48 115.15 122.72 1za1 h HIS 170 Ca -0.06 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 1za1 h HIS 170 Cb 1.59 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.81 1za1 h HIS 170 CO 0.04 0.49 -0.05 1.03 0.86 0.00 0.00 177.93 180.30 1za1 h SER 171 N 0.76 0.59 -0.44 2.45 0.87 -1.45 -1.83 113.55 114.50 1za1 h SER 171 Ca 0.20 -0.34 -0.10 0.00 -1.23 0.00 0.00 61.79 60.32 1za1 h SER 171 Cb -0.04 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1za1 h SER 171 CO -0.04 0.80 -0.08 0.25 -0.53 0.00 0.00 176.83 177.23 1za1 h LEU 172 N 0.38 0.89 -0.44 2.23 5.85 -1.33 0.50 115.31 123.39 1za1 h LEU 172 Ca 0.08 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1za1 h LEU 172 Cb 0.52 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1za1 h LEU 172 CO 0.03 0.99 0.15 0.74 -0.34 0.00 0.00 178.44 180.01 1za1 h THR 173 N 0.81 1.22 -0.29 1.05 2.02 -0.94 0.27 112.91 117.05 1za1 h THR 173 Ca 0.14 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 1za1 h THR 173 Cb 0.60 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1za1 h THR 173 CO 0.04 0.26 0.16 1.56 0.37 0.00 0.00 175.52 177.90 1za1 h GLN 174 N 0.57 0.40 -0.16 6.66 1.08 -0.96 -0.11 115.11 122.58 1za1 h GLN 174 Ca 0.14 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1za1 h GLN 174 Cb 0.25 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1za1 h GLN 174 CO -0.01 0.35 0.11 0.00 -0.95 0.00 0.00 178.83 178.33 1za1 h ALA 175 N 1.03 0.21 0.00 3.87 0.00 -0.74 -2.61 119.26 121.02 1za1 h ALA 175 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1za1 h ALA 175 Cb 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1za1 h ALA 175 CO -0.02 -0.31 -0.21 -0.07 0.00 0.00 0.00 179.25 178.64 1za1 h LEU 176 N 0.22 0.00 0.00 0.00 3.38 -0.72 -0.93 115.31 117.25 1za1 h LEU 176 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1za1 h LEU 176 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1za1 h LEU 176 CO -0.01 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.73 1za1 n ALA 177 N -2.39 1.94 1.10 1.53 0.00 -0.07 -1.23 120.51 121.39 1za1 n ALA 177 Ca -0.02 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.46 1za1 n ALA 177 Cb 0.30 -1.25 0.29 0.00 0.00 0.00 0.00 19.45 18.78 1za1 n ALA 177 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1za1 n LYS 178 N -1.18 0.37 -3.16 0.00 5.02 -0.35 -4.90 118.16 113.96 1za1 n LYS 178 Ca 0.09 -0.22 -0.20 0.00 -2.02 0.00 0.00 58.31 55.96 1za1 n LYS 178 Cb 0.10 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.64 1za1 n LYS 178 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1za1 n PHE 179 N -1.12 -1.51 -4.14 2.13 3.01 -0.37 -4.87 117.46 110.59 1za1 n PHE 179 Ca 0.08 -1.96 -0.30 0.00 1.01 0.00 0.00 57.45 56.28 1za1 n PHE 179 Cb 0.34 -0.44 -0.08 0.00 -0.01 0.00 0.00 39.48 39.29 1za1 n PHE 179 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1za1 s ASP 180 N -4.01 5.03 -1.31 4.37 1.01 -1.26 -4.66 116.67 115.84 1za1 s ASP 180 Ca 0.40 -0.16 0.00 0.00 0.71 0.00 0.00 52.55 53.50 1za1 s ASP 180 Cb -0.03 -1.21 0.00 0.00 1.01 0.00 0.00 42.92 42.69 1za1 s ASP 180 CO 0.26 0.18 0.00 0.61 0.21 0.00 0.00 175.17 176.43 1za1 n GLY 181 N 0.65 1.26 3.78 0.21 0.00 -1.26 0.06 105.19 109.89 1za1 n GLY 181 Ca -0.11 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1za1 n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1za1 s ASN 182 N -2.62 6.90 -0.03 1.61 0.01 -1.26 -3.73 114.94 115.81 1za1 s ASN 182 Ca 0.00 2.04 0.05 0.00 -0.71 0.00 0.00 52.86 54.23 1za1 s ASN 182 Cb 0.00 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 1za1 s ASN 182 CO 0.00 -0.39 -0.18 -0.13 -1.51 0.00 0.00 177.10 174.89 1za1 s ARG 183 N -2.32 1.74 -0.00 -0.60 0.52 -0.03 -4.19 118.95 114.08 1za1 s ARG 183 Ca 0.55 -0.65 0.04 0.00 -0.52 0.00 0.00 55.73 55.16 1za1 s ARG 183 Cb -0.23 -1.56 -0.03 0.00 0.52 0.00 0.00 34.95 33.65 1za1 s ARG 183 CO 0.29 0.30 -0.11 -0.06 0.02 0.00 0.00 175.30 175.74 1za1 s PHE 184 N -0.13 2.78 -0.15 -0.53 0.40 -0.56 -0.38 117.98 119.41 1za1 s PHE 184 Ca -0.00 -0.10 0.01 0.00 -0.60 0.00 0.00 56.93 56.23 1za1 s PHE 184 Cb -0.10 -1.59 0.02 0.00 0.51 0.00 0.00 43.02 41.86 1za1 s PHE 184 CO 0.01 0.31 -0.16 0.71 0.70 0.00 0.00 175.22 176.79 1za1 s TYR 185 N -0.92 2.35 -0.22 0.36 2.02 0.22 -1.68 117.35 119.48 1za1 s TYR 185 Ca 0.15 -1.31 -0.05 0.00 -0.37 0.00 0.00 57.07 55.49 1za1 s TYR 185 Cb -0.11 -1.68 -0.02 0.00 -0.40 0.00 0.00 41.96 39.76 1za1 s TYR 185 CO 0.05 -0.68 -0.02 -0.06 -1.57 0.00 0.00 175.55 173.28 1za1 s PHE 186 N 1.33 2.99 -0.30 2.71 0.08 -0.45 -0.44 117.98 123.90 1za1 s PHE 186 Ca 0.03 -0.73 0.02 0.00 0.12 0.00 0.00 56.93 56.37 1za1 s PHE 186 Cb -0.13 -2.12 0.09 0.00 -0.57 0.00 0.00 43.02 40.29 1za1 s PHE 186 CO -0.10 -0.44 0.01 0.42 -0.10 0.00 0.00 175.22 175.02 1za1 s ILE 187 N 1.37 1.88 0.01 0.64 1.09 -0.82 -1.21 121.20 124.15 1za1 s ILE 187 Ca 0.04 -1.86 -0.25 0.00 -1.10 0.00 0.00 60.65 57.48 1za1 s ILE 187 Cb -0.14 -2.28 0.06 0.00 -1.06 0.00 0.00 42.46 39.03 1za1 s ILE 187 CO -0.01 -0.43 0.57 0.00 -0.10 0.00 0.00 174.94 174.98 1za1 s ALA 188 N 1.15 -1.48 0.57 9.38 0.00 -1.26 -2.33 121.76 127.79 1za1 s ALA 188 Ca 0.05 0.86 -0.21 0.00 0.00 0.00 0.00 51.96 52.66 1za1 s ALA 188 Cb -0.19 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1za1 s ALA 188 CO -0.10 -0.45 1.31 -2.14 0.00 0.00 0.00 175.76 174.38 1za1 s PRO 189 N -1.96 3.01 0.55 0.00 0.02 -1.26 -4.79 135.00 130.57 1za1 s PRO 189 Ca -0.08 2.11 0.24 0.00 0.02 0.00 0.00 61.00 63.30 1za1 s PRO 189 Cb -0.01 -2.12 1.47 0.00 0.02 0.00 0.00 34.50 33.86 1za1 s PRO 189 CO 0.03 -1.25 2.08 -0.44 -0.33 0.00 0.00 177.00 177.08 1za1 h ASP 190 N 1.20 0.00 0.94 2.53 3.32 -1.99 0.14 116.42 122.56 1za1 h ASP 190 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1za1 h ASP 190 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1za1 h ASP 190 CO 0.56 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.08 1za1 h ALA 191 N 1.82 1.00 -0.21 3.45 0.00 -2.01 -3.11 119.26 120.20 1za1 h ALA 191 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1za1 h ALA 191 Cb 0.53 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.14 1za1 h ALA 191 CO -0.00 0.00 -0.69 1.28 0.00 0.00 0.00 179.25 179.84 1za1 n LEU 192 N -3.02 2.97 -4.74 0.00 4.77 0.46 -4.96 117.00 112.49 1za1 n LEU 192 Ca 0.00 -3.81 -0.34 0.00 -0.03 0.00 0.00 56.01 51.83 1za1 n LEU 192 Cb 0.29 -0.35 0.07 0.00 -2.33 0.00 0.00 43.42 41.10 1za1 n LEU 192 CO 0.26 1.44 0.79 0.00 -1.33 0.00 0.00 177.39 178.56 1za1 s ALA 193 N -2.93 2.25 0.18 -1.18 0.00 -1.05 -1.41 121.76 117.62 1za1 s ALA 193 Ca 0.40 0.83 -0.32 0.00 0.00 0.00 0.00 51.96 52.87 1za1 s ALA 193 Cb 0.38 -3.44 -0.12 0.00 0.00 0.00 0.00 23.12 19.94 1za1 s ALA 193 CO -0.05 -1.65 1.75 -0.12 0.00 0.00 0.00 175.76 175.68 1za1 n MET 194 N -2.49 2.75 -1.70 0.00 1.56 -1.26 -3.05 117.12 112.93 1za1 n MET 194 Ca 0.13 0.99 -0.40 0.00 -0.27 0.00 0.00 57.70 58.15 1za1 n MET 194 Cb 0.50 -2.85 0.03 0.00 2.15 0.00 0.00 33.22 33.05 1za1 n MET 194 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1za1 n PRO 195 N 4.38 1.73 -0.20 2.12 -0.02 -1.26 -4.86 135.00 136.89 1za1 n PRO 195 Ca 0.17 0.62 0.09 0.00 -2.02 0.00 0.00 63.50 62.36 1za1 n PRO 195 Cb 0.35 -2.41 0.37 0.00 -0.02 0.00 0.00 33.50 31.80 1za1 n PRO 195 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1za1 h GLN 196 N 1.69 0.68 -0.71 -0.52 5.75 -1.99 -1.74 115.11 118.27 1za1 h GLN 196 Ca -0.49 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 57.99 1za1 h GLN 196 Cb 1.31 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 29.67 1za1 h GLN 196 CO 0.58 0.45 0.47 0.10 -2.65 0.00 0.00 178.83 177.78 1za1 h TYR 197 N 0.71 0.88 -0.26 3.99 -0.00 -1.99 0.45 116.97 120.74 1za1 h TYR 197 Ca 0.35 0.02 -0.19 0.00 0.00 0.00 0.00 58.73 58.91 1za1 h TYR 197 Cb 0.44 -0.30 0.00 0.00 0.00 0.00 0.00 36.73 36.88 1za1 h TYR 197 CO -0.00 0.54 -0.58 0.82 -0.00 0.00 0.00 178.16 178.94 1za1 h ILE 198 N 0.94 1.28 -0.41 -0.90 2.04 -1.69 -2.13 117.51 116.63 1za1 h ILE 198 Ca 0.27 -1.77 -0.07 0.00 1.00 0.00 0.00 64.86 64.28 1za1 h ILE 198 Cb -0.07 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1za1 h ILE 198 CO -0.06 0.57 -0.05 -0.07 0.00 0.00 0.00 178.15 178.54 1za1 h LEU 199 N 0.64 0.66 -0.31 1.44 3.38 -0.92 -1.62 115.31 118.57 1za1 h LEU 199 Ca 0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1za1 h LEU 199 Cb 1.19 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1za1 h LEU 199 CO 0.13 0.76 0.12 0.44 0.09 0.00 0.00 178.44 179.97 1za1 h ASP 200 N 0.64 0.43 -0.72 -0.43 3.32 -0.05 -0.10 116.42 119.52 1za1 h ASP 200 Ca 0.12 -0.17 0.08 0.00 0.02 0.00 0.00 57.03 57.08 1za1 h ASP 200 Cb 0.47 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.84 1za1 h ASP 200 CO 0.02 0.49 0.39 -0.03 -1.72 0.00 0.00 179.24 178.39 1za1 h MET 201 N 0.35 0.66 0.17 3.56 4.05 -1.03 -0.23 114.93 122.46 1za1 h MET 201 Ca 0.10 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 1za1 h MET 201 Cb 0.19 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1za1 h MET 201 CO -0.01 0.44 -0.08 -0.07 0.23 0.00 0.00 176.91 177.42 1za1 h LEU 202 N 0.68 -0.19 -0.56 3.39 3.38 -0.87 -2.88 115.31 118.25 1za1 h LEU 202 Ca 0.34 -0.24 0.10 0.00 0.09 0.00 0.00 57.88 58.18 1za1 h LEU 202 Cb 0.29 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 1za1 h LEU 202 CO -0.23 0.15 0.10 0.44 0.09 0.00 0.00 178.44 178.99 1za1 h ASP 203 N -0.54 -0.03 -0.78 -0.43 3.32 -0.74 -0.44 116.42 116.79 1za1 h ASP 203 Ca -0.02 0.11 0.19 0.00 0.02 0.00 0.00 57.03 57.33 1za1 h ASP 203 Cb 0.41 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 1za1 h ASP 203 CO 0.04 0.00 0.54 -0.08 -1.72 0.00 0.00 179.24 178.01 1za1 h GLU 204 N 0.23 0.20 -0.73 3.56 4.81 -0.96 0.95 114.58 122.64 1za1 h GLU 204 Ca 0.29 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1za1 h GLU 204 Cb 0.42 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1za1 h GLU 204 CO -0.39 0.13 0.00 1.63 -0.73 0.00 0.00 179.01 179.65 1za1 n LYS 205 N -4.41 2.93 -2.44 1.92 5.02 -0.24 -4.95 118.16 115.99 1za1 n LYS 205 Ca 0.16 -2.72 -0.16 0.00 -2.02 0.00 0.00 58.31 53.57 1za1 n LYS 205 Cb 0.71 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1za1 n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1za1 n GLY 206 N 1.58 -0.27 3.70 0.72 0.00 0.33 -4.98 105.19 106.27 1za1 n GLY 206 Ca 0.25 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1za1 n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1za1 s ILE 207 N -2.85 5.26 0.24 -0.61 -1.09 -0.79 -5.02 121.20 116.35 1za1 s ILE 207 Ca 0.06 0.62 -0.30 0.00 -2.23 0.00 0.00 60.65 58.80 1za1 s ILE 207 Cb -0.03 -3.68 -0.09 0.00 -1.58 0.00 0.00 42.46 37.09 1za1 s ILE 207 CO 0.07 0.32 1.03 0.00 -1.23 0.00 0.00 174.94 175.14 1za1 s ALA 208 N 0.87 3.37 0.05 9.38 0.00 -1.26 -4.42 121.76 129.75 1za1 s ALA 208 Ca 0.18 0.77 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 1za1 s ALA 208 Cb -0.14 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.71 1za1 s ALA 208 CO 0.06 -0.02 0.27 1.67 0.00 0.00 0.00 175.76 177.74 1za1 s TRP 209 N -1.00 -0.05 -0.11 0.00 1.48 -1.26 -1.50 118.94 116.50 1za1 s TRP 209 Ca 0.44 -0.15 -0.24 0.00 -1.06 0.00 0.00 56.10 55.09 1za1 s TRP 209 Cb -0.29 0.06 0.06 0.00 -1.16 0.00 0.00 33.47 32.13 1za1 s TRP 209 CO 0.36 -0.50 0.59 -1.54 -4.06 0.00 0.00 176.95 171.80 1za1 s SER 210 N -2.18 -0.56 0.27 -2.66 1.04 -0.67 -4.95 113.70 103.99 1za1 s SER 210 Ca -0.04 0.79 -0.14 0.00 0.48 0.00 0.00 55.95 57.04 1za1 s SER 210 Cb -0.00 0.76 -0.08 0.00 0.10 0.00 0.00 66.02 66.79 1za1 s SER 210 CO -0.05 -0.43 0.67 -0.76 0.98 0.00 0.00 173.24 173.65 1za1 s LEU 211 N -0.66 4.15 -0.09 2.42 1.43 -1.26 -1.34 118.68 123.33 1za1 s LEU 211 Ca -0.07 1.18 -0.10 0.00 -1.03 0.00 0.00 54.13 54.11 1za1 s LEU 211 Cb -0.03 -3.84 0.03 0.00 0.03 0.00 0.00 46.19 42.38 1za1 s LEU 211 CO 0.06 -0.11 0.28 -1.00 0.23 0.00 0.00 176.35 175.80 1za1 s HIS 212 N -1.83 -0.28 0.28 0.29 3.76 -0.35 -4.89 115.29 112.27 1za1 s HIS 212 Ca 0.49 0.66 0.12 0.00 -0.15 0.00 0.00 55.06 56.19 1za1 s HIS 212 Cb -0.12 0.10 0.49 0.00 1.11 0.00 0.00 32.58 34.16 1za1 s HIS 212 CO 0.19 -0.18 1.68 0.77 -0.85 0.00 0.00 174.74 176.35 1za1 h SER 213 N 5.46 0.00 -5.19 1.40 0.02 -1.95 -3.38 113.55 109.92 1za1 h SER 213 Ca -0.27 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.58 1za1 h SER 213 Cb 1.19 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.58 1za1 h SER 213 CO 0.34 0.53 -0.51 -0.94 -1.14 0.00 0.00 176.83 175.11 1za1 s SER 214 N -6.79 0.28 0.41 3.07 1.04 -1.26 -4.88 113.70 105.56 1za1 s SER 214 Ca -0.01 -0.79 0.15 0.00 0.48 0.00 0.00 55.95 55.78 1za1 s SER 214 Cb 0.13 0.27 0.89 0.00 0.10 0.00 0.00 66.02 67.41 1za1 s SER 214 CO 0.74 -0.66 1.90 0.40 0.98 0.00 0.00 173.24 176.60 1za1 h ILE 215 N 2.97 1.13 -0.88 -1.02 5.03 -1.89 -2.77 117.51 120.09 1za1 h ILE 215 Ca -0.34 -1.00 0.20 0.00 -0.12 0.00 0.00 64.86 63.60 1za1 h ILE 215 Cb 1.17 1.55 -0.11 0.00 -3.03 0.00 0.00 36.82 36.40 1za1 h ILE 215 CO 0.60 0.28 0.40 -0.08 -0.68 0.00 0.00 178.15 178.67 1za1 h GLU 216 N 0.00 0.45 0.00 2.37 4.81 -1.94 0.73 114.58 121.00 1za1 h GLU 216 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1za1 h GLU 216 Cb 0.53 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1za1 h GLU 216 CO 0.04 0.30 0.00 0.93 -0.73 0.00 0.00 179.01 179.55 1za1 h GLU 217 N 0.47 0.00 0.00 1.92 5.08 -1.91 -3.23 114.58 116.90 1za1 h GLU 217 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 1za1 h GLU 217 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1za1 h GLU 217 CO -0.48 0.00 -0.59 0.28 -1.00 0.00 0.00 179.01 177.23 1za1 n VAL 218 N -2.39 0.00 -0.28 3.13 0.31 0.08 -4.83 118.33 114.35 1za1 n VAL 218 Ca 0.00 -0.20 0.07 0.00 -0.01 0.00 0.00 64.34 64.20 1za1 n VAL 218 Cb 0.16 0.70 0.19 0.00 -0.91 0.00 0.00 33.84 33.98 1za1 n VAL 218 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 1za1 h MET 219 N 0.00 0.10 -0.41 5.55 -1.53 -1.11 -0.31 114.93 117.22 1za1 h MET 219 Ca 0.00 -0.01 0.10 0.00 -3.44 0.00 0.00 59.70 56.36 1za1 h MET 219 Cb 0.00 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.01 1za1 h MET 219 CO 0.00 0.07 0.29 0.00 0.14 0.00 0.00 176.91 177.40 1za1 h ALA 220 N 1.76 2.27 -0.01 0.39 0.00 -1.83 -2.92 119.26 118.92 1za1 h ALA 220 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1za1 h ALA 220 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1za1 h ALA 220 CO -0.71 -0.38 -0.31 0.39 0.00 0.00 0.00 179.25 178.24 1za1 n GLU 221 N -4.44 1.63 -2.49 0.00 -0.58 -0.17 -4.49 120.64 110.10 1za1 n GLU 221 Ca 0.06 -0.88 -0.41 0.00 -0.42 0.00 0.00 57.16 55.52 1za1 n GLU 221 Cb 0.42 -1.29 -0.04 0.00 -0.57 0.00 0.00 31.44 29.96 1za1 n GLU 221 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1za1 s VAL 222 N -1.89 3.81 -0.19 2.62 0.11 -0.94 -4.66 120.40 119.27 1za1 s VAL 222 Ca 0.14 1.57 -0.02 0.00 -2.93 0.00 0.00 61.98 60.74 1za1 s VAL 222 Cb 0.13 -4.00 -0.22 0.00 -1.53 0.00 0.00 36.38 30.77 1za1 s VAL 222 CO 0.40 0.27 0.07 0.47 -3.33 0.00 0.00 175.10 172.98 1za1 n ASP 223 N 2.35 2.05 -3.79 3.54 10.43 -0.44 -4.49 116.55 126.19 1za1 n ASP 223 Ca 0.03 0.03 -0.22 0.00 2.57 0.00 0.00 54.79 57.20 1za1 n ASP 223 Cb 0.46 -0.63 -0.17 0.00 1.84 0.00 0.00 41.12 42.62 1za1 n ASP 223 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1za1 s ILE 224 N -2.54 0.40 -0.40 0.53 -1.09 -1.03 -1.56 121.20 115.51 1za1 s ILE 224 Ca -0.29 0.08 -0.07 0.00 -2.23 0.00 0.00 60.65 58.14 1za1 s ILE 224 Cb 0.08 -0.53 0.08 0.00 -1.58 0.00 0.00 42.46 40.51 1za1 s ILE 224 CO 0.69 0.25 0.21 -0.22 -1.23 0.00 0.00 174.94 174.64 1za1 s LEU 225 N 1.76 5.02 -0.39 2.97 2.96 0.08 -0.68 118.68 130.40 1za1 s LEU 225 Ca 0.02 -1.60 -0.14 0.00 -0.22 0.00 0.00 54.13 52.19 1za1 s LEU 225 Cb -0.13 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.66 1za1 s LEU 225 CO -0.04 -0.51 0.28 -0.47 -1.32 0.00 0.00 176.35 174.29 1za1 s TYR 226 N 1.34 3.24 -0.07 5.38 5.04 0.10 -0.95 117.35 131.43 1za1 s TYR 226 Ca 0.03 -0.52 -0.11 0.00 -2.44 0.00 0.00 57.07 54.03 1za1 s TYR 226 Cb -0.23 -2.55 -0.05 0.00 0.35 0.00 0.00 41.96 39.48 1za1 s TYR 226 CO 0.00 -0.54 0.28 -1.64 -1.34 0.00 0.00 175.55 172.32 1za1 s MET 227 N 1.68 3.74 0.33 4.97 -1.94 0.03 -0.23 119.30 127.88 1za1 s MET 227 Ca 0.05 0.15 0.10 0.00 -1.71 0.00 0.00 55.69 54.28 1za1 s MET 227 Cb -0.19 -3.22 -0.06 0.00 2.01 0.00 0.00 34.83 33.37 1za1 s MET 227 CO 0.10 0.69 -0.06 0.95 -0.01 0.00 0.00 175.02 176.70 1za1 s THR 228 N -0.93 2.52 0.18 2.05 -4.23 0.73 -4.01 115.64 111.94 1za1 s THR 228 Ca 0.19 -2.11 -0.23 0.00 -1.18 0.00 0.00 61.69 58.36 1za1 s THR 228 Cb -0.14 -2.68 -0.08 0.00 1.34 0.00 0.00 72.50 70.94 1za1 s THR 228 CO 0.08 -0.24 0.74 -0.60 -0.54 0.00 0.00 174.62 174.07 1za1 s ARG 229 N -3.65 4.43 -0.31 3.99 3.52 -1.26 -4.60 118.95 121.06 1za1 s ARG 229 Ca 0.33 1.03 -0.20 0.00 -0.13 0.00 0.00 55.73 56.75 1za1 s ARG 229 Cb -0.00 -3.12 -0.01 0.00 -1.56 0.00 0.00 34.95 30.27 1za1 s ARG 229 CO 0.18 0.51 0.63 0.08 -0.81 0.00 0.00 175.30 175.89 1za1 s VAL 230 N -1.29 4.93 -0.94 7.11 1.01 -1.26 -4.16 120.40 125.81 1za1 s VAL 230 Ca 0.38 0.80 -0.24 0.00 0.00 0.00 0.00 61.98 62.93 1za1 s VAL 230 Cb -0.20 -4.01 -0.15 0.00 0.00 0.00 0.00 36.38 32.01 1za1 s VAL 230 CO 0.24 -0.17 1.92 0.00 0.00 0.00 0.00 175.10 177.08 1za1 n GLN 231 N 5.91 1.26 -0.15 2.72 6.02 -1.26 -4.75 117.38 127.13 1za1 n GLN 231 Ca -0.01 -2.06 -0.03 0.00 -0.01 0.00 0.00 57.00 54.89 1za1 n GLN 231 Cb 0.49 -3.39 0.05 0.00 1.02 0.00 0.00 30.24 28.40 1za1 n GLN 231 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1za1 h LYS 232 N 9.37 0.09 -0.05 -1.09 2.10 -1.95 -0.56 116.57 124.48 1za1 h LYS 232 Ca 0.26 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.92 1za1 h LYS 232 Cb 0.84 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.15 1za1 h LYS 232 CO 1.51 0.06 0.70 0.93 -2.00 0.00 0.00 179.45 180.64 1za1 h GLU 233 N 0.09 0.00 0.16 0.07 3.07 -2.00 0.73 114.58 116.70 1za1 h GLU 233 Ca 0.24 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.77 1za1 h GLU 233 Cb 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1za1 h GLU 233 CO -0.41 0.00 -1.60 0.00 -1.40 0.00 0.00 179.01 175.60 1za1 h ARG 234 N 0.00 0.33 0.00 2.33 3.08 -1.49 -3.48 114.38 115.15 1za1 h ARG 234 Ca 0.02 -0.56 -0.05 0.00 0.07 0.00 0.00 59.98 59.46 1za1 h ARG 234 Cb 1.41 0.21 0.02 0.00 0.08 0.00 0.00 29.97 31.69 1za1 h ARG 234 CO -0.00 1.22 0.03 1.28 -1.07 0.00 0.00 179.97 181.43 1za1 n LEU 235 N -3.53 0.00 -4.88 3.04 4.77 0.25 -5.09 117.00 111.57 1za1 n LEU 235 Ca -0.19 -0.19 -0.36 0.00 -0.03 0.00 0.00 56.01 55.23 1za1 n LEU 235 Cb 1.06 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 42.00 1za1 n LEU 235 CO 0.52 -0.59 -0.14 -0.62 -1.33 0.00 0.00 177.39 175.24 1za1 s ASP 236 N -1.51 6.43 0.20 -1.43 2.15 -1.26 -4.94 116.67 116.31 1za1 s ASP 236 Ca 0.08 0.49 -0.10 0.00 0.43 0.00 0.00 52.55 53.45 1za1 s ASP 236 Cb -0.00 -2.07 0.26 0.00 -0.30 0.00 0.00 42.92 40.81 1za1 s ASP 236 CO 0.06 0.36 1.73 -0.65 -0.17 0.00 0.00 175.17 176.50 1za1 h PRO 237 N 4.66 0.33 -0.65 4.34 0.11 -1.98 0.37 132.00 139.17 1za1 h PRO 237 Ca -0.53 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.50 1za1 h PRO 237 Cb 1.22 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1za1 h PRO 237 CO 0.61 0.22 0.18 0.77 -0.21 0.00 0.00 178.00 179.57 1za1 h SER 238 N 0.34 0.97 0.61 -2.05 0.02 -2.00 -2.19 113.55 109.25 1za1 h SER 238 Ca 0.30 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1za1 h SER 238 Cb 0.39 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.68 1za1 h SER 238 CO -0.33 0.93 -0.29 -0.08 -1.14 0.00 0.00 176.83 175.92 1za1 h GLU 239 N 0.95 -0.79 -0.95 3.45 4.81 -1.60 -1.50 114.58 118.95 1za1 h GLU 239 Ca 0.21 0.05 0.25 0.00 -0.13 0.00 0.00 59.36 59.74 1za1 h GLU 239 Cb 0.33 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 1za1 h GLU 239 CO -0.00 -0.49 0.65 -0.92 -0.73 0.00 0.00 179.01 177.51 1za1 h TYR 240 N -0.93 0.35 -0.04 0.92 5.03 -0.28 0.20 116.97 122.23 1za1 h TYR 240 Ca -0.08 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.19 1za1 h TYR 240 Cb 0.66 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.84 1za1 h TYR 240 CO -0.01 0.07 -0.17 0.00 -1.32 0.00 0.00 178.16 176.73 1za1 h ALA 241 N 1.58 0.07 -0.29 1.82 0.00 -1.20 -2.01 119.26 119.23 1za1 h ALA 241 Ca 0.49 -0.39 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1za1 h ALA 241 Cb 1.50 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1za1 h ALA 241 CO -0.13 0.02 0.35 -0.91 0.00 0.00 0.00 179.25 178.57 1za1 h ASN 242 N -0.39 0.00 0.00 0.00 2.35 0.12 -3.22 115.58 114.45 1za1 h ASN 242 Ca -0.01 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1za1 h ASN 242 Cb 0.82 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 1za1 h ASN 242 CO 0.04 0.00 -1.20 1.33 -1.65 0.00 0.00 177.43 175.95 1za1 n VAL 243 N -3.68 0.20 -0.35 2.81 0.24 -1.07 -4.68 118.33 111.80 1za1 n VAL 243 Ca 0.04 -0.11 0.34 0.00 -2.04 0.00 0.00 64.34 62.57 1za1 n VAL 243 Cb 0.49 -0.85 0.61 0.00 -1.47 0.00 0.00 33.84 32.62 1za1 n VAL 243 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1za1 n LYS 244 N -2.23 -0.05 -0.35 7.34 2.85 -0.75 0.01 118.16 124.98 1za1 n LYS 244 Ca -0.05 1.35 0.27 0.00 -1.05 0.00 0.00 58.31 58.83 1za1 n LYS 244 Cb 0.59 -2.47 0.57 0.00 -0.65 0.00 0.00 35.03 33.06 1za1 n LYS 244 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1za1 h ALA 245 N 1.90 2.45 -0.76 0.58 0.00 -1.83 -0.23 119.26 121.37 1za1 h ALA 245 Ca 0.86 0.06 -0.25 0.00 0.00 0.00 0.00 54.91 55.57 1za1 h ALA 245 Cb 2.38 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 20.09 1za1 h ALA 245 CO -0.70 -0.89 0.31 0.00 0.00 0.00 0.00 179.25 177.97 1za1 n GLN 246 N -4.58 3.53 -0.38 0.00 10.64 0.10 -4.04 117.38 122.66 1za1 n GLN 246 Ca 0.28 -3.09 0.00 0.00 -1.83 0.00 0.00 57.00 52.36 1za1 n GLN 246 Cb 1.03 -2.21 0.00 0.00 -0.86 0.00 0.00 30.24 28.20 1za1 n GLN 246 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1za1 n PHE 247 N -0.29 0.00 -3.72 2.61 3.72 -0.11 -4.79 117.46 114.87 1za1 n PHE 247 Ca 0.43 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.47 1za1 n PHE 247 Cb 1.42 0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 39.90 1za1 n PHE 247 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1za1 s VAL 248 N 0.00 5.39 -0.16 -4.37 1.01 -1.14 -4.76 120.40 116.37 1za1 s VAL 248 Ca 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 61.98 62.27 1za1 s VAL 248 Cb 0.00 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1za1 s VAL 248 CO 0.00 0.52 0.01 -0.22 0.00 0.00 0.00 175.10 175.40 1za1 s LEU 249 N -0.32 3.52 0.20 3.92 2.96 0.39 -4.99 118.68 124.36 1za1 s LEU 249 Ca 0.14 -0.02 0.10 0.00 -0.22 0.00 0.00 54.13 54.13 1za1 s LEU 249 Cb -0.12 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 1za1 s LEU 249 CO 0.03 0.18 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.94 1za1 s ARG 250 N 0.31 1.78 0.43 1.98 0.52 -1.26 -1.17 118.95 121.55 1za1 s ARG 250 Ca -0.00 -1.45 0.15 0.00 -0.52 0.00 0.00 55.73 53.90 1za1 s ARG 250 Cb -0.13 -1.97 1.05 0.00 0.52 0.00 0.00 34.95 34.41 1za1 s ARG 250 CO 0.02 0.40 1.96 0.00 0.02 0.00 0.00 175.30 177.70 1za1 h ALA 251 N 2.92 2.06 0.00 2.13 0.00 -1.88 -1.44 119.26 123.05 1za1 h ALA 251 Ca -0.46 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1za1 h ALA 251 Cb 1.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1za1 h ALA 251 CO 0.52 -0.22 -0.20 0.66 0.00 0.00 0.00 179.25 180.01 1za1 h SER 252 N 0.40 0.00 0.75 0.00 4.64 -1.96 -2.26 113.55 115.12 1za1 h SER 252 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1za1 h SER 252 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1za1 h SER 252 CO -0.09 0.20 0.00 0.44 -0.87 0.00 0.00 176.83 176.51 1za1 h ASP 253 N 0.00 0.00 -0.20 4.97 3.32 -1.67 -2.71 116.42 120.12 1za1 h ASP 253 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1za1 h ASP 253 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1za1 h ASP 253 CO 0.03 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.73 1za1 n LEU 254 N -2.47 1.20 -0.37 1.55 4.77 -0.85 -4.43 117.00 116.41 1za1 n LEU 254 Ca 0.01 -0.58 -0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1za1 n LEU 254 Cb 0.24 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1za1 n LEU 254 CO 0.21 0.29 0.60 -0.74 -1.33 0.00 0.00 177.39 176.42 1za1 h HIS 255 N 1.38 -1.00 -0.46 -1.77 2.76 -1.66 -1.64 115.15 112.76 1za1 h HIS 255 Ca 0.00 0.10 -0.05 0.00 -2.20 0.00 0.00 60.37 58.22 1za1 h HIS 255 Cb 0.31 0.58 -0.03 0.00 1.55 0.00 0.00 27.41 29.82 1za1 h HIS 255 CO 0.13 -0.41 0.05 0.27 -1.30 0.00 0.00 177.93 176.67 1za1 n ASN 256 N -5.49 4.58 -4.77 3.26 6.94 -1.26 -5.01 115.26 113.51 1za1 n ASN 256 Ca 0.11 -3.09 -0.38 0.00 -0.02 0.00 0.00 54.58 51.20 1za1 n ASN 256 Cb 0.41 -0.64 -0.01 0.00 -2.36 0.00 0.00 39.78 37.19 1za1 n ASN 256 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1za1 s ALA 257 N -2.88 3.09 0.78 -2.53 0.00 -0.62 -4.14 121.76 115.45 1za1 s ALA 257 Ca 0.49 1.03 -0.12 0.00 0.00 0.00 0.00 51.96 53.36 1za1 s ALA 257 Cb 0.39 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 20.16 1za1 s ALA 257 CO 0.11 -0.69 1.14 0.15 0.00 0.00 0.00 175.76 176.48 1za1 s LYS 258 N -2.47 2.01 0.44 0.00 1.02 -1.26 -4.92 119.74 114.56 1za1 s LYS 258 Ca 0.60 1.47 0.14 0.00 0.02 0.00 0.00 55.97 58.21 1za1 s LYS 258 Cb -0.32 -1.85 0.97 0.00 -0.52 0.00 0.00 37.83 36.11 1za1 s LYS 258 CO 0.40 -1.88 1.98 0.00 -0.92 0.00 0.00 175.35 174.93 1za1 h ALA 259 N -0.86 1.67 -0.00 5.17 0.00 -1.95 -2.24 119.26 121.04 1za1 h ALA 259 Ca -0.45 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1za1 h ALA 259 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1za1 h ALA 259 CO 0.49 0.25 -0.28 0.27 0.00 0.00 0.00 179.25 179.97 1za1 n ASN 260 N -4.31 0.40 -4.75 0.00 6.94 -1.26 -4.94 115.26 107.35 1za1 n ASN 260 Ca -0.02 -0.15 -0.41 0.00 -0.02 0.00 0.00 54.58 53.98 1za1 n ASN 260 Cb 0.25 -0.01 -0.02 0.00 -2.36 0.00 0.00 39.78 37.64 1za1 n ASN 260 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 1za1 s MET 261 N -2.88 4.19 -0.02 -3.83 1.75 -0.85 -4.87 119.30 112.80 1za1 s MET 261 Ca 0.16 2.45 0.04 0.00 -1.25 0.00 0.00 55.69 57.09 1za1 s MET 261 Cb 0.18 -3.06 -0.01 0.00 2.84 0.00 0.00 34.83 34.78 1za1 s MET 261 CO 0.60 -0.54 -0.15 0.15 -0.65 0.00 0.00 175.02 174.43 1za1 s LYS 262 N -0.40 1.34 -0.22 4.11 -0.14 -0.60 -4.52 119.74 119.31 1za1 s LYS 262 Ca 0.62 -0.54 -0.13 0.00 -1.36 0.00 0.00 55.97 54.56 1za1 s LYS 262 Cb -0.45 -1.26 -0.05 0.00 -1.68 0.00 0.00 37.83 34.40 1za1 s LYS 262 CO 0.45 0.29 0.26 0.08 -0.76 0.00 0.00 175.35 175.67 1za1 s VAL 263 N -0.22 5.29 0.29 3.17 1.01 -0.16 -0.75 120.40 129.03 1za1 s VAL 263 Ca 0.03 0.40 0.11 0.00 0.00 0.00 0.00 61.98 62.51 1za1 s VAL 263 Cb -0.07 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1za1 s VAL 263 CO 0.00 0.31 -0.11 -0.76 0.00 0.00 0.00 175.10 174.54 1za1 s LEU 264 N 1.17 2.82 -0.30 3.92 1.43 -0.13 -1.62 118.68 125.98 1za1 s LEU 264 Ca 0.12 -0.93 -0.14 0.00 -1.03 0.00 0.00 54.13 52.15 1za1 s LEU 264 Cb -0.14 -1.30 0.16 0.00 0.03 0.00 0.00 46.19 44.93 1za1 s LEU 264 CO 0.06 -0.02 0.93 -2.28 0.23 0.00 0.00 176.35 175.27 1za1 s HIS 265 N -2.46 -0.76 -0.32 0.29 2.46 -1.26 -0.79 115.29 112.44 1za1 s HIS 265 Ca 0.31 1.35 0.21 0.00 0.47 0.00 0.00 55.06 57.40 1za1 s HIS 265 Cb -0.04 0.46 1.06 0.00 -0.13 0.00 0.00 32.58 33.92 1za1 s HIS 265 CO 0.17 -0.38 1.63 -0.35 -2.47 0.00 0.00 174.74 173.35 1za1 n PRO 266 N 4.83 0.14 -0.81 2.88 -0.04 -1.26 -4.85 135.00 135.90 1za1 n PRO 266 Ca -0.11 0.58 0.05 0.00 -0.04 0.00 0.00 63.50 63.98 1za1 n PRO 266 Cb 0.53 -1.91 -0.03 0.00 -0.04 0.00 0.00 33.50 32.05 1za1 n PRO 266 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1za1 n LEU 267 N -2.20 -0.71 -4.82 1.53 4.77 -1.26 -5.00 117.00 109.31 1za1 n LEU 267 Ca -0.00 1.41 -0.33 0.00 -0.03 0.00 0.00 56.01 57.05 1za1 n LEU 267 Cb 0.08 -1.46 -0.07 0.00 -2.33 0.00 0.00 43.42 39.64 1za1 n LEU 267 CO 0.12 -0.85 0.65 -2.16 -1.33 0.00 0.00 177.39 173.82 1za1 s PRO 268 N -4.16 4.22 0.10 3.23 0.04 -1.26 -5.02 135.00 132.15 1za1 s PRO 268 Ca 0.00 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.19 1za1 s PRO 268 Cb 0.00 -2.19 0.02 0.00 0.04 0.00 0.00 34.50 32.37 1za1 s PRO 268 CO 0.00 -0.04 0.14 2.89 0.04 0.00 0.00 177.00 180.03 1za1 n ARG 269 N -0.63 0.87 0.00 4.56 -4.01 -1.26 -4.74 116.66 111.45 1za1 n ARG 269 Ca 0.07 -0.51 0.00 0.00 -1.04 0.00 0.00 57.85 56.37 1za1 n ARG 269 Cb 0.54 -0.05 0.00 0.00 -3.04 0.00 0.00 32.46 29.91 1za1 n ARG 269 CO 0.00 0.00 0.00 1.55 -3.04 0.00 0.00 177.63 176.14 1za1 n VAL 270 N -1.27 0.00 0.01 8.89 3.14 -1.26 -4.93 118.33 122.91 1za1 n VAL 270 Ca 0.03 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.42 1za1 n VAL 270 Cb 0.10 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 32.92 1za1 n VAL 270 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1za1 n ASP 271 N 0.00 1.95 -0.09 6.55 8.00 -1.26 -4.61 116.55 127.09 1za1 n ASP 271 Ca 0.00 -1.71 -0.09 0.00 0.71 0.00 0.00 54.79 53.71 1za1 n ASP 271 Cb 0.00 -0.05 -0.15 0.00 -0.02 0.00 0.00 41.12 40.90 1za1 n ASP 271 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1za1 n GLU 272 N -0.05 0.91 -3.87 -1.24 0.00 -1.26 -4.55 120.64 110.58 1za1 n GLU 272 Ca 0.03 -0.02 -0.28 0.00 0.00 0.00 0.00 57.16 56.89 1za1 n GLU 272 Cb 0.23 -1.48 -0.16 0.00 0.00 0.00 0.00 31.44 30.02 1za1 n GLU 272 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1za1 s ILE 273 N -2.49 1.09 0.54 3.84 1.01 -1.26 0.15 121.20 124.07 1za1 s ILE 273 Ca -0.09 -0.74 -0.21 0.00 0.00 0.00 0.00 60.65 59.61 1za1 s ILE 273 Cb 0.06 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 1za1 s ILE 273 CO 0.78 0.02 1.27 0.00 0.00 0.00 0.00 174.94 177.00 1za1 s ALA 274 N 1.63 2.77 0.54 9.38 0.00 -0.32 -4.64 121.76 131.12 1za1 s ALA 274 Ca -0.01 1.15 0.22 0.00 0.00 0.00 0.00 51.96 53.31 1za1 s ALA 274 Cb -0.16 -3.49 1.42 0.00 0.00 0.00 0.00 23.12 20.89 1za1 s ALA 274 CO -0.07 -1.15 2.12 1.79 0.00 0.00 0.00 175.76 178.45 1za1 h THR 275 N 1.38 0.81 0.00 0.00 1.35 -1.94 -1.05 112.91 113.46 1za1 h THR 275 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1za1 h THR 275 Cb 1.29 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1za1 h THR 275 CO 0.57 0.00 0.00 -2.24 -0.25 0.00 0.00 175.52 173.60 1za1 h ASP 276 N 0.00 0.00 0.73 5.36 3.04 -1.95 0.70 116.42 124.30 1za1 h ASP 276 Ca 0.07 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.79 1za1 h ASP 276 Cb 0.29 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.57 1za1 h ASP 276 CO -0.00 0.00 -0.33 0.58 -2.04 0.00 0.00 179.24 177.45 1za1 h VAL 277 N 0.00 0.86 -0.50 4.15 2.07 -1.53 -3.31 116.25 117.99 1za1 h VAL 277 Ca 0.00 -1.33 0.12 0.00 0.82 0.00 0.00 66.70 66.30 1za1 h VAL 277 Cb 0.14 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1za1 h VAL 277 CO 0.00 0.32 0.35 0.44 0.02 0.00 0.00 177.57 178.70 1za1 h ASP 278 N 0.00 0.15 1.06 0.57 3.32 -1.01 -1.94 116.42 118.57 1za1 h ASP 278 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1za1 h ASP 278 Cb 0.79 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1za1 h ASP 278 CO 0.04 0.09 -0.36 0.29 -1.72 0.00 0.00 179.24 177.58 1za1 n LYS 279 N -4.44 0.24 -1.42 3.56 4.01 -1.25 -4.75 118.16 114.11 1za1 n LYS 279 Ca 0.09 0.12 -0.31 0.00 -0.51 0.00 0.00 58.31 57.69 1za1 n LYS 279 Cb 0.46 -1.70 0.07 0.00 -0.51 0.00 0.00 35.03 33.35 1za1 n LYS 279 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1za1 s THR 280 N -3.12 3.63 0.13 -0.18 -4.23 -0.73 -4.91 115.64 106.22 1za1 s THR 280 Ca 0.09 0.53 0.34 0.00 -1.18 0.00 0.00 61.69 61.47 1za1 s THR 280 Cb 0.14 -3.15 0.38 0.00 1.34 0.00 0.00 72.50 71.20 1za1 s THR 280 CO 0.66 -0.69 2.02 -0.65 -0.54 0.00 0.00 174.62 175.42 1za1 h PRO 281 N -0.95 0.00 0.00 3.99 0.11 -1.91 -3.07 132.00 130.18 1za1 h PRO 281 Ca -0.44 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.56 1za1 h PRO 281 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1za1 h PRO 281 CO 0.55 0.00 -0.54 0.45 -0.21 0.00 0.00 178.00 178.24 1za1 h HIS 282 N 0.00 0.00 -2.46 0.65 3.86 -1.89 -3.45 115.15 111.87 1za1 h HIS 282 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 1za1 h HIS 282 Cb 0.36 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.84 1za1 h HIS 282 CO 0.00 0.54 1.19 0.00 0.86 0.00 0.00 177.93 180.52 1za1 s ALA 283 N -3.14 3.54 -0.01 2.45 0.00 -1.16 -0.99 121.76 122.44 1za1 s ALA 283 Ca 0.02 1.12 0.02 0.00 0.00 0.00 0.00 51.96 53.12 1za1 s ALA 283 Cb 0.09 -3.82 0.03 0.00 0.00 0.00 0.00 23.12 19.42 1za1 s ALA 283 CO 0.74 -1.59 0.90 1.87 0.00 0.00 0.00 175.76 177.68 1za1 n TRP 284 N 7.64 0.00 -0.07 0.00 -0.00 -0.64 -4.86 117.44 119.51 1za1 n TRP 284 Ca 0.19 -0.12 -0.10 0.00 -0.00 0.00 0.00 57.50 57.47 1za1 n TRP 284 Cb 0.42 -0.05 0.05 0.00 -0.00 0.00 0.00 31.31 31.74 1za1 n TRP 284 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 177.69 177.79 1za1 h TYR 285 N 0.00 0.89 -0.04 5.87 -0.00 -1.85 0.21 116.97 122.05 1za1 h TYR 285 Ca 0.00 -0.25 -0.18 0.00 -0.00 0.00 0.00 58.73 58.30 1za1 h TYR 285 Cb 1.23 -0.19 -0.01 0.00 -0.00 0.00 0.00 36.73 37.76 1za1 h TYR 285 CO 0.06 1.00 -0.76 0.74 -0.00 0.00 0.00 178.16 179.20 1za1 h PHE 286 N 0.63 0.37 -0.41 0.10 0.04 -1.91 -2.36 116.94 113.39 1za1 h PHE 286 Ca 0.06 -0.18 -0.14 0.00 2.80 0.00 0.00 57.97 60.52 1za1 h PHE 286 Cb 0.89 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.98 1za1 h PHE 286 CO 0.05 0.93 -0.29 1.96 -0.60 0.00 0.00 178.31 180.36 1za1 h GLN 287 N 0.18 0.90 -0.35 1.51 7.50 -1.88 -1.88 115.11 121.08 1za1 h GLN 287 Ca -0.03 -0.41 0.06 0.00 0.50 0.00 0.00 58.65 58.77 1za1 h GLN 287 Cb 1.34 -0.01 -0.05 0.00 0.05 0.00 0.00 27.48 28.80 1za1 h GLN 287 CO 0.12 1.06 0.02 0.37 -1.50 0.00 0.00 178.83 178.90 1za1 h GLN 288 N 0.76 0.12 -0.49 1.46 4.15 -0.48 -1.52 115.11 119.11 1za1 h GLN 288 Ca 0.09 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 1za1 h GLN 288 Cb 0.85 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.50 1za1 h GLN 288 CO 0.08 0.08 0.22 0.00 -1.93 0.00 0.00 178.83 177.28 1za1 h ALA 289 N 1.29 0.63 0.00 3.38 0.00 -1.25 -1.57 119.26 121.75 1za1 h ALA 289 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1za1 h ALA 289 Cb 0.22 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1za1 h ALA 289 CO -0.27 0.21 -0.03 0.78 0.00 0.00 0.00 179.25 179.94 1za1 h GLY 290 N 0.65 0.00 2.00 0.00 0.00 -0.99 -0.16 103.07 104.56 1za1 h GLY 290 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1za1 h GLY 290 CO -0.02 0.00 0.00 3.43 0.00 0.00 0.00 176.54 179.95 1za1 h ASN 291 N 0.00 0.00 0.07 0.19 -0.26 -0.24 -2.87 115.58 112.47 1za1 h ASN 291 Ca -0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.71 1za1 h ASN 291 Cb 0.06 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 1za1 h ASN 291 CO 0.00 0.00 -0.10 1.23 -1.06 0.00 0.00 177.43 177.50 1za1 h GLY 292 N 3.22 0.09 1.00 2.83 0.00 -0.90 -0.88 103.07 108.42 1za1 h GLY 292 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1za1 h GLY 292 CO 0.00 0.04 0.10 -2.22 0.00 0.00 0.00 176.54 174.46 1za1 h ILE 293 N 0.08 1.04 -0.11 2.60 1.08 -1.63 0.27 117.51 120.84 1za1 h ILE 293 Ca 0.02 -0.07 -0.19 0.00 -0.39 0.00 0.00 64.86 64.23 1za1 h ILE 293 Cb 0.23 0.82 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1za1 h ILE 293 CO 0.01 0.04 -0.73 -0.26 -0.69 0.00 0.00 178.15 176.52 1za1 h PHE 294 N 0.20 0.70 -0.15 1.37 0.04 -1.54 -0.69 116.94 116.86 1za1 h PHE 294 Ca 0.05 -0.30 -0.02 0.00 2.80 0.00 0.00 57.97 60.50 1za1 h PHE 294 Cb -0.02 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 1za1 h PHE 294 CO -0.07 1.08 0.03 0.00 -0.60 0.00 0.00 178.31 178.75 1za1 h ALA 295 N 0.84 0.20 -0.08 2.45 0.00 -1.05 -1.73 119.26 119.90 1za1 h ALA 295 Ca -0.03 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1za1 h ALA 295 Cb 1.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1za1 h ALA 295 CO 0.13 -0.15 -0.44 0.00 0.00 0.00 0.00 179.25 178.79 1za1 h ARG 296 N 0.05 0.17 -0.56 0.00 3.08 -0.44 -2.37 114.38 114.31 1za1 h ARG 296 Ca 0.05 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1za1 h ARG 296 Cb 0.27 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1za1 h ARG 296 CO 0.00 0.58 0.23 1.96 -1.07 0.00 0.00 179.97 181.67 1za1 h GLN 297 N 0.14 0.84 -0.40 0.04 4.20 -1.02 -2.37 115.11 116.54 1za1 h GLN 297 Ca 0.01 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.59 1za1 h GLN 297 Cb 0.83 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 1za1 h GLN 297 CO 0.06 0.72 0.24 0.00 -0.67 0.00 0.00 178.83 179.18 1za1 h ALA 298 N 1.07 0.50 -0.55 3.87 0.00 -1.03 0.47 119.26 123.60 1za1 h ALA 298 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1za1 h ALA 298 Cb 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1za1 h ALA 298 CO -0.02 -0.10 0.32 1.25 0.00 0.00 0.00 179.25 180.71 1za1 h LEU 299 N 0.48 0.67 -0.19 0.00 5.85 -1.35 0.94 115.31 121.70 1za1 h LEU 299 Ca 0.16 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1za1 h LEU 299 Cb 0.00 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1za1 h LEU 299 CO -0.07 0.54 0.02 -0.07 -0.34 0.00 0.00 178.44 178.52 1za1 h LEU 300 N 0.74 0.31 0.18 2.25 3.38 -1.13 -1.87 115.31 119.17 1za1 h LEU 300 Ca 0.20 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1za1 h LEU 300 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1za1 h LEU 300 CO -0.04 0.50 -0.09 0.00 0.09 0.00 0.00 178.44 178.91 1za1 h ALA 301 N 0.82 -0.24 -0.89 1.53 0.00 -0.73 -0.80 119.26 118.95 1za1 h ALA 301 Ca 0.06 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1za1 h ALA 301 Cb 0.33 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1za1 h ALA 301 CO 0.01 -0.62 0.54 -0.07 0.00 0.00 0.00 179.25 179.11 1za1 h LEU 302 N -0.28 0.82 -0.47 0.00 3.38 -0.80 0.27 115.31 118.23 1za1 h LEU 302 Ca -0.02 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1za1 h LEU 302 Cb 0.22 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1za1 h LEU 302 CO 0.04 0.49 -0.51 0.58 0.09 0.00 0.00 178.44 179.12 1za1 h VAL 303 N 0.93 1.01 0.00 1.22 2.07 -1.16 -3.07 116.25 117.25 1za1 h VAL 303 Ca 0.41 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1za1 h VAL 303 Cb 0.30 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1za1 h VAL 303 CO -0.22 0.50 -1.37 0.18 0.02 0.00 0.00 177.57 176.69 1za1 n LEU 304 N -3.41 0.34 -4.29 2.57 4.77 -0.32 -0.85 117.00 115.81 1za1 n LEU 304 Ca 0.01 -0.22 -0.32 0.00 -0.03 0.00 0.00 56.01 55.45 1za1 n LEU 304 Cb 0.65 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.58 1za1 n LEU 304 CO 0.40 0.09 -0.53 0.20 -1.33 0.00 0.00 177.39 176.21 1za1 s ASN 305 N -3.40 3.33 0.08 -1.43 -0.87 0.05 -4.97 114.94 107.73 1za1 s ASN 305 Ca -0.01 -0.46 -0.25 0.00 -1.57 0.00 0.00 52.86 50.57 1za1 s ASN 305 Cb 0.12 -1.15 -0.16 0.00 -0.02 0.00 0.00 41.25 40.04 1za1 s ASN 305 CO 0.71 0.21 1.68 0.03 -2.57 0.00 0.00 177.10 177.17 1za1 h ARG 306 N 6.30 -0.12 -4.29 -0.60 3.08 -1.86 -3.43 114.38 113.46 1za1 h ARG 306 Ca -0.28 0.01 -0.47 0.00 0.07 0.00 0.00 59.98 59.31 1za1 h ARG 306 Cb 1.20 0.03 -0.34 0.00 0.08 0.00 0.00 29.97 30.94 1za1 h ARG 306 CO 0.49 -0.04 -0.80 -0.51 -1.07 0.00 0.00 179.97 178.04 1za1 s ASP 307 N -5.12 1.46 -0.38 7.04 1.01 -1.26 0.15 116.67 119.57 1za1 s ASP 307 Ca -0.14 -0.22 -0.14 0.00 0.71 0.00 0.00 52.55 52.76 1za1 s ASP 307 Cb 0.05 -0.66 0.00 0.00 1.01 0.00 0.00 42.92 43.32 1za1 s ASP 307 CO 0.65 -0.02 0.27 -0.76 0.21 0.00 0.00 175.17 175.52 1za1 s LEU 308 N 0.87 4.82 -0.01 1.23 1.43 -1.26 -4.92 118.68 120.85 1za1 s LEU 308 Ca -0.11 -0.68 -0.00 0.00 -1.03 0.00 0.00 54.13 52.31 1za1 s LEU 308 Cb -0.15 -2.15 0.01 0.00 0.03 0.00 0.00 46.19 43.94 1za1 s LEU 308 CO 0.01 -0.35 1.71 0.52 0.23 0.00 0.00 176.35 178.47 1za1 n VAL 309 N 5.13 1.73 0.24 -1.59 0.31 -1.26 -5.17 118.33 117.72 1za1 n VAL 309 Ca -0.12 -0.39 0.02 0.00 -0.01 0.00 0.00 64.34 63.84 1za1 n VAL 309 Cb 0.48 -1.34 0.11 0.00 -0.91 0.00 0.00 33.84 32.18 1za1 n VAL 309 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69